#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2uva s SER 20 N 0.00 0.92 -0.03 1.08 0.15 -1.26 -4.85 113.70 109.71 2uva s SER 20 Ca 0.00 -2.19 -0.00 0.00 0.70 0.00 0.00 55.95 54.45 2uva s SER 20 Cb 0.00 0.37 0.03 0.00 -1.71 0.00 0.00 66.02 64.71 2uva s SER 20 CO 0.00 -0.19 0.03 -0.76 1.20 0.00 0.00 173.24 173.51 2uva s LEU 21 N 0.80 0.90 -0.19 3.45 1.43 -1.25 -4.30 118.68 119.51 2uva s LEU 21 Ca 0.25 0.02 -0.05 0.00 -1.03 0.00 0.00 54.13 53.33 2uva s LEU 21 Cb -0.06 -0.15 0.07 0.00 0.03 0.00 0.00 46.19 46.08 2uva s LEU 21 CO -0.09 -0.15 0.13 -0.13 0.23 0.00 0.00 176.35 176.35 2uva s ARG 22 N 1.31 0.11 -0.29 1.70 0.52 0.84 -4.71 118.95 118.43 2uva s ARG 22 Ca -0.06 -0.07 -0.28 0.00 -0.52 0.00 0.00 55.73 54.80 2uva s ARG 22 Cb -0.13 -1.59 -0.06 0.00 0.52 0.00 0.00 34.95 33.70 2uva s ARG 22 CO -0.03 -0.72 2.27 -2.30 0.02 0.00 0.00 175.30 174.55 2uva n PRO 23 N 5.29 1.71 -3.86 3.54 -0.02 -1.26 -1.88 135.00 138.52 2uva n PRO 23 Ca -0.06 0.40 -0.36 0.00 -2.02 0.00 0.00 63.50 61.46 2uva n PRO 23 Cb 0.48 -3.24 -0.14 0.00 -0.02 0.00 0.00 33.50 30.58 2uva n PRO 23 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2uva s LEU 24 N 9.16 3.10 -0.18 2.45 1.43 -0.86 -4.95 118.68 128.84 2uva s LEU 24 Ca 1.01 -0.38 -0.06 0.00 -1.03 0.00 0.00 54.13 53.67 2uva s LEU 24 Cb -0.33 -1.79 -0.03 0.00 0.03 0.00 0.00 46.19 44.07 2uva s LEU 24 CO 0.34 -0.04 0.01 -0.69 0.23 0.00 0.00 176.35 176.20 2uva s VAL 25 N 1.51 4.26 -0.62 -1.59 1.01 -1.26 -0.37 120.40 123.35 2uva s VAL 25 Ca 0.06 -0.22 -0.19 0.00 0.00 0.00 0.00 61.98 61.63 2uva s VAL 25 Cb -0.15 -2.91 0.11 0.00 0.00 0.00 0.00 36.38 33.44 2uva s VAL 25 CO -0.01 0.46 0.72 -0.76 0.00 0.00 0.00 175.10 175.51 2uva s LEU 26 N 0.55 5.47 -0.07 3.92 1.43 0.10 -4.95 118.68 125.13 2uva s LEU 26 Ca 0.00 -1.54 -0.03 0.00 -1.03 0.00 0.00 54.13 51.53 2uva s LEU 26 Cb -0.14 -2.30 -0.04 0.00 0.03 0.00 0.00 46.19 43.75 2uva s LEU 26 CO 0.02 -1.08 0.05 0.42 0.23 0.00 0.00 176.35 175.99 2uva s THR 27 N 2.53 4.70 -0.29 5.49 -4.23 -1.26 -1.30 115.64 121.27 2uva s THR 27 Ca 0.13 -0.18 -0.16 0.00 -1.18 0.00 0.00 61.69 60.30 2uva s THR 27 Cb -0.23 -3.04 0.17 0.00 1.34 0.00 0.00 72.50 70.74 2uva s THR 27 CO 0.05 0.55 1.09 -2.28 -0.54 0.00 0.00 174.62 173.48 2uva s HIS 28 N -1.00 -0.40 0.00 3.99 5.04 -0.99 -5.02 115.29 116.91 2uva s HIS 28 Ca 0.16 0.76 0.00 0.00 -1.54 0.00 0.00 55.06 54.44 2uva s HIS 28 Cb -0.12 0.24 0.00 0.00 0.04 0.00 0.00 32.58 32.74 2uva s HIS 28 CO 0.06 -0.20 0.00 0.41 -2.34 0.00 0.00 174.74 172.67 2uva n GLY 29 N 3.79 0.47 0.03 1.59 0.00 -1.26 -0.32 105.19 109.49 2uva n GLY 29 Ca -0.16 0.38 0.01 0.00 0.00 0.00 0.00 46.02 46.25 2uva n GLY 29 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2uva n SER 30 N 2.36 0.97 -4.09 1.61 3.41 -1.26 -4.98 113.62 111.64 2uva n SER 30 Ca 0.00 -1.60 -0.25 0.00 -0.26 0.00 0.00 58.87 56.76 2uva n SER 30 Cb 0.00 -0.04 -0.16 0.00 -0.26 0.00 0.00 64.21 63.75 2uva n SER 30 CO 0.00 0.00 0.00 -1.48 -0.16 0.00 0.00 175.04 173.40 2uva s LEU 31 N -0.58 1.83 0.10 1.04 0.05 0.56 -5.12 118.68 116.56 2uva s LEU 31 Ca 0.02 -0.32 0.05 0.00 0.05 0.00 0.00 54.13 53.93 2uva s LEU 31 Cb 0.02 -0.88 -0.03 0.00 -2.05 0.00 0.00 46.19 43.24 2uva s LEU 31 CO 0.00 0.11 -0.12 -1.61 -0.55 0.00 0.00 176.35 174.18 2uva s GLU 32 N 0.23 0.88 -0.05 1.48 2.02 -1.26 -2.36 118.70 119.65 2uva s GLU 32 Ca -0.07 -1.13 0.00 0.00 0.02 0.00 0.00 54.97 53.80 2uva s GLU 32 Cb -0.12 -0.68 0.02 0.00 0.10 0.00 0.00 34.13 33.45 2uva s GLU 32 CO 0.02 0.12 -0.03 0.12 0.02 0.00 0.00 175.26 175.52 2uva s PHE 33 N -2.10 0.69 0.22 1.61 5.36 -0.42 -4.97 117.98 118.36 2uva s PHE 33 Ca 0.04 -0.18 -0.08 0.00 -0.96 0.00 0.00 56.93 55.76 2uva s PHE 33 Cb -0.05 -0.67 -0.06 0.00 -0.34 0.00 0.00 43.02 41.89 2uva s PHE 33 CO 0.01 -0.22 0.51 -1.12 -1.46 0.00 0.00 175.22 172.94 2uva s SER 34 N 1.18 6.56 0.03 6.13 0.01 -1.26 0.01 113.70 126.37 2uva s SER 34 Ca -0.07 0.80 0.01 0.00 1.31 0.00 0.00 55.95 58.00 2uva s SER 34 Cb -0.14 -2.18 -0.02 0.00 0.21 0.00 0.00 66.02 63.89 2uva s SER 34 CO -0.02 -0.06 -0.04 0.12 0.41 0.00 0.00 173.24 173.65 2uva s PHE 35 N -1.82 0.38 -0.17 2.43 5.36 0.50 -4.98 117.98 119.69 2uva s PHE 35 Ca 0.45 -0.49 -0.01 0.00 -0.96 0.00 0.00 56.93 55.92 2uva s PHE 35 Cb -0.11 -0.25 -0.00 0.00 -0.34 0.00 0.00 43.02 42.31 2uva s PHE 35 CO 0.23 -0.15 -0.12 -0.51 -1.46 0.00 0.00 175.22 173.22 2uva s LEU 36 N -1.42 2.63 0.04 6.12 1.43 -1.26 -2.02 118.68 124.20 2uva s LEU 36 Ca -0.13 -0.43 0.07 0.00 -1.03 0.00 0.00 54.13 52.61 2uva s LEU 36 Cb -0.09 -1.62 -0.02 0.00 0.03 0.00 0.00 46.19 44.48 2uva s LEU 36 CO -0.01 0.07 -0.20 -0.69 0.23 0.00 0.00 176.35 175.76 2uva s VAL 37 N 0.93 1.57 0.45 -1.59 1.01 -0.79 -4.91 120.40 117.08 2uva s VAL 37 Ca -0.02 -1.15 -0.25 0.00 0.00 0.00 0.00 61.98 60.55 2uva s VAL 37 Cb -0.15 -1.37 -0.08 0.00 0.00 0.00 0.00 36.38 34.78 2uva s VAL 37 CO -0.01 0.18 1.43 -2.65 0.00 0.00 0.00 175.10 174.05 2uva n PRO 38 N 1.88 2.23 -0.26 2.72 -0.02 -1.26 -0.11 135.00 140.19 2uva n PRO 38 Ca -0.17 0.80 0.06 0.00 -2.02 0.00 0.00 63.50 62.16 2uva n PRO 38 Cb 0.54 -2.62 0.19 0.00 -0.02 0.00 0.00 33.50 31.58 2uva n PRO 38 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 2uva h THR 39 N 2.27 0.62 0.69 3.45 2.02 -1.84 -2.86 112.91 117.26 2uva h THR 39 Ca -0.51 -0.14 -0.03 0.00 0.77 0.00 0.00 66.41 66.51 2uva h THR 39 Cb 1.27 0.18 -0.01 0.00 -1.74 0.00 0.00 68.15 67.86 2uva h THR 39 CO 0.61 0.07 -0.45 0.77 0.37 0.00 0.00 175.52 176.89 2uva h SER 40 N 0.40 -1.15 -0.67 4.18 4.64 -1.96 -3.26 113.55 115.74 2uva h SER 40 Ca 0.42 0.07 -0.38 0.00 -0.47 0.00 0.00 61.79 61.42 2uva h SER 40 Cb 0.66 0.34 -0.14 0.00 -0.31 0.00 0.00 62.40 62.95 2uva h SER 40 CO -0.43 -0.68 0.12 0.18 -0.87 0.00 0.00 176.83 175.16 2uva n LEU 41 N -5.25 6.04 -0.01 5.97 4.77 -1.09 -4.36 117.00 123.07 2uva n LEU 41 Ca -0.13 -3.72 0.09 0.00 -0.03 0.00 0.00 56.01 52.22 2uva n LEU 41 Cb 0.45 -1.29 -0.14 0.00 -2.33 0.00 0.00 43.42 40.11 2uva n LEU 41 CO 0.30 1.70 -0.72 1.57 -1.33 0.00 0.00 177.39 178.91 2uva n HIS 42 N 1.42 0.00 0.16 -1.77 -0.00 -1.18 -3.94 115.22 109.91 2uva n HIS 42 Ca 0.46 0.00 0.11 0.00 0.46 0.00 0.00 57.72 58.75 2uva n HIS 42 Cb 0.68 -0.43 -0.05 0.00 -0.12 0.00 0.00 29.99 30.07 2uva n HIS 42 CO 0.00 0.00 0.00 0.34 0.46 0.00 0.00 176.34 177.14 2uva n PHE 43 N -2.14 0.51 -0.12 1.57 7.35 -1.26 -1.71 117.46 121.66 2uva n PHE 43 Ca -0.04 0.15 -0.11 0.00 -0.76 0.00 0.00 57.45 56.69 2uva n PHE 43 Cb 0.49 -0.70 -0.03 0.00 0.35 0.00 0.00 39.48 39.59 2uva n PHE 43 CO 0.00 0.00 0.00 0.37 -0.76 0.00 0.00 176.76 176.37 2uva h GLN 44 N 0.00 0.68 0.00 -4.13 5.75 -1.88 -0.93 115.11 114.59 2uva h GLN 44 Ca 0.00 -0.26 -0.10 0.00 -0.15 0.00 0.00 58.65 58.13 2uva h GLN 44 Cb 0.94 -0.04 -0.01 0.00 1.07 0.00 0.00 27.48 29.44 2uva h GLN 44 CO 0.00 0.84 -0.49 0.00 -2.65 0.00 0.00 178.83 176.53 2uva h ALA 45 N 0.81 0.90 -0.39 3.38 0.00 -1.68 -2.47 119.26 119.81 2uva h ALA 45 Ca 0.09 -0.45 -0.14 0.00 0.00 0.00 0.00 54.91 54.40 2uva h ALA 45 Cb 0.60 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 2uva h ALA 45 CO 0.04 0.62 -0.32 0.00 0.00 0.00 0.00 179.25 179.58 2uva h ALA 46 N 1.51 0.56 -0.27 0.00 0.00 -1.27 -2.86 119.26 116.94 2uva h ALA 46 Ca -0.00 -0.43 -0.02 0.00 0.00 0.00 0.00 54.91 54.45 2uva h ALA 46 Cb 1.07 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 2uva h ALA 46 CO 0.06 0.62 0.08 1.96 0.00 0.00 0.00 179.25 181.97 2uva h GLN 47 N 0.72 0.42 -0.45 0.00 1.08 -0.99 0.24 115.11 116.14 2uva h GLN 47 Ca 0.07 -0.09 -0.08 0.00 -1.45 0.00 0.00 58.65 57.10 2uva h GLN 47 Cb 0.91 -0.06 -0.02 0.00 -0.05 0.00 0.00 27.48 28.26 2uva h GLN 47 CO 0.08 0.49 -0.03 -0.07 -0.95 0.00 0.00 178.83 178.35 2uva h LEU 48 N 0.26 0.73 -0.51 1.46 3.38 -1.55 -2.29 115.31 116.79 2uva h LEU 48 Ca 0.09 -0.18 -0.09 0.00 0.09 0.00 0.00 57.88 57.78 2uva h LEU 48 Cb 0.25 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 2uva h LEU 48 CO -0.00 0.82 -0.04 0.50 0.09 0.00 0.00 178.44 179.81 2uva h LYS 49 N 0.70 0.92 0.57 1.13 3.64 -1.35 -2.84 116.57 119.34 2uva h LYS 49 Ca 0.13 -0.31 -0.03 0.00 -1.27 0.00 0.00 60.65 59.17 2uva h LYS 49 Cb 0.48 -0.07 0.01 0.00 -0.41 0.00 0.00 32.23 32.23 2uva h LYS 49 CO 0.02 0.97 -0.27 -0.44 -2.27 0.00 0.00 179.45 177.46 2uva h ASP 50 N 0.79 -0.65 0.64 4.20 3.32 -0.55 -2.26 116.42 121.90 2uva h ASP 50 Ca 0.14 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.15 2uva h ASP 50 Cb 0.57 0.17 0.00 0.00 0.22 0.00 0.00 39.33 40.29 2uva h ASP 50 CO 0.03 -0.32 0.00 -1.54 -1.72 0.00 0.00 179.24 175.70 2uva n SER 51 N -5.34 0.57 0.08 6.45 3.41 -0.90 -2.50 113.62 115.40 2uva n SER 51 Ca -0.12 0.65 -0.01 0.00 -0.26 0.00 0.00 58.87 59.14 2uva n SER 51 Cb 0.34 -0.77 -0.05 0.00 -0.26 0.00 0.00 64.21 63.47 2uva n SER 51 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 2uva h PHE 52 N 0.00 0.00 -0.17 7.33 3.57 -1.30 -3.10 116.94 123.28 2uva h PHE 52 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 2uva h PHE 52 Cb 0.32 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.06 2uva h PHE 52 CO 0.00 0.64 0.00 1.28 -2.23 0.00 0.00 178.31 178.00 2uva n LEU 53 N -3.12 1.17 -0.02 0.59 4.77 -0.87 -2.67 117.00 116.84 2uva n LEU 53 Ca -0.03 -0.53 0.02 0.00 -0.03 0.00 0.00 56.01 55.43 2uva n LEU 53 Cb 0.83 -0.11 -0.10 0.00 -2.33 0.00 0.00 43.42 41.71 2uva n LEU 53 CO 0.43 0.27 -0.73 0.00 -1.33 0.00 0.00 177.39 176.02 2uva n ALA 54 N 0.05 2.22 0.17 -1.18 0.00 -1.22 -4.46 120.51 116.09 2uva n ALA 54 Ca 0.12 -0.46 0.05 0.00 0.00 0.00 0.00 53.44 53.14 2uva n ALA 54 Cb 0.22 -0.29 0.48 0.00 0.00 0.00 0.00 19.45 19.85 2uva n ALA 54 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 2uva h THR 55 N 0.00 1.12 -3.97 0.00 2.02 -1.43 -3.43 112.91 107.23 2uva h THR 55 Ca -0.11 -0.52 -0.45 0.00 0.77 0.00 0.00 66.41 66.10 2uva h THR 55 Cb 0.96 1.14 -0.02 0.00 -1.74 0.00 0.00 68.15 68.49 2uva h THR 55 CO 0.01 0.16 0.31 -0.76 0.37 0.00 0.00 175.52 175.61 2uva s LEU 56 N -8.86 4.06 0.60 2.58 1.43 -1.22 -5.07 118.68 112.21 2uva s LEU 56 Ca -0.05 1.67 -0.10 0.00 -1.03 0.00 0.00 54.13 54.61 2uva s LEU 56 Cb 0.16 -4.34 -0.04 0.00 0.03 0.00 0.00 46.19 42.00 2uva s LEU 56 CO 0.71 -0.26 1.00 -2.16 0.23 0.00 0.00 176.35 175.87 2uva s PRO 57 N -2.86 3.60 -0.09 1.29 0.04 -1.26 -4.94 135.00 130.78 2uva s PRO 57 Ca 0.58 0.69 -0.38 0.00 0.04 0.00 0.00 61.00 61.93 2uva s PRO 57 Cb -0.12 -2.12 -0.18 0.00 0.04 0.00 0.00 34.50 32.13 2uva s PRO 57 CO 0.16 -0.52 1.07 1.04 0.04 0.00 0.00 177.00 178.79 2uva n GLN 58 N -2.67 0.00 -1.43 4.56 6.02 -1.26 -4.81 117.38 117.79 2uva n GLN 58 Ca 0.05 0.00 -0.36 0.00 -0.01 0.00 0.00 57.00 56.68 2uva n GLN 58 Cb 0.54 -1.37 0.07 0.00 1.02 0.00 0.00 30.24 30.50 2uva n GLN 58 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 177.06 173.75 2uva n PRO 59 N 1.82 0.60 -4.05 -1.09 -0.02 -1.26 -5.01 135.00 125.99 2uva n PRO 59 Ca 0.20 0.25 -0.31 0.00 -2.02 0.00 0.00 63.50 61.62 2uva n PRO 59 Cb 0.05 -2.14 -0.16 0.00 -0.02 0.00 0.00 33.50 31.23 2uva n PRO 59 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 2uva s THR 60 N -1.73 1.80 -1.98 3.45 2.01 -1.26 -4.98 115.64 112.95 2uva s THR 60 Ca 0.73 -0.93 0.28 0.00 0.31 0.00 0.00 61.69 62.09 2uva s THR 60 Cb -0.37 -1.74 0.79 0.00 0.01 0.00 0.00 72.50 71.19 2uva s THR 60 CO 0.50 0.36 2.01 -0.62 -0.69 0.00 0.00 174.62 176.18 2uva n GLU 61 N 4.67 0.86 -0.08 4.92 -0.58 -1.26 -1.67 120.64 127.50 2uva n GLU 61 Ca -0.17 0.00 0.08 0.00 -0.42 0.00 0.00 57.16 56.65 2uva n GLU 61 Cb 0.48 -1.50 0.32 0.00 -0.57 0.00 0.00 31.44 30.18 2uva n GLU 61 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 2uva n GLU 62 N -1.01 1.54 -0.98 3.49 1.02 -1.26 -4.93 120.64 118.51 2uva n GLU 62 Ca 0.21 -0.82 0.00 0.00 -0.02 0.00 0.00 57.16 56.53 2uva n GLU 62 Cb 0.10 -1.31 0.00 0.00 -0.02 0.00 0.00 31.44 30.21 2uva n GLU 62 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2uva n LEU 63 N 0.08 0.14 -3.59 -4.62 4.77 -0.67 -4.97 117.00 108.15 2uva n LEU 63 Ca 0.13 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 56.02 2uva n LEU 63 Cb 0.24 -0.60 -0.05 0.00 -2.33 0.00 0.00 43.42 40.68 2uva n LEU 63 CO 0.10 -0.12 0.85 0.00 -1.33 0.00 0.00 177.39 176.89 2uva s ALA 64 N -2.39 -1.97 0.12 -1.18 0.00 -1.26 -4.85 121.76 110.24 2uva s ALA 64 Ca 0.00 1.62 0.06 0.00 0.00 0.00 0.00 51.96 53.63 2uva s ALA 64 Cb 0.00 -0.78 -0.04 0.00 0.00 0.00 0.00 23.12 22.30 2uva s ALA 64 CO 0.00 -0.32 -0.13 -0.65 0.00 0.00 0.00 175.76 174.65 2uva s GLN 65 N -1.23 1.00 -0.13 0.00 -1.52 -1.25 -4.89 119.66 111.63 2uva s GLN 65 Ca 0.01 -1.23 -0.29 0.00 -1.95 0.00 0.00 55.36 51.89 2uva s GLN 65 Cb -0.01 -0.85 -0.04 0.00 -0.22 0.00 0.00 33.01 31.90 2uva s GLN 65 CO -0.01 0.16 1.59 0.34 -0.25 0.00 0.00 175.29 177.12 2uva s ASP 66 N -2.47 6.59 -1.79 5.90 2.15 -1.26 -2.89 116.67 122.90 2uva s ASP 66 Ca 0.09 1.93 0.00 0.00 0.43 0.00 0.00 52.55 54.99 2uva s ASP 66 Cb -0.04 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 40.04 2uva s ASP 66 CO 0.03 -1.03 0.00 0.47 -0.17 0.00 0.00 175.17 174.46 2uva n ASP 67 N 7.58 -5.59 -2.65 -0.34 8.00 -1.26 -5.01 116.55 117.28 2uva n ASP 67 Ca 0.17 0.10 -0.09 0.00 0.71 0.00 0.00 54.79 55.69 2uva n ASP 67 Cb 0.44 -4.67 -0.02 0.00 -0.02 0.00 0.00 41.12 36.85 2uva n ASP 67 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2uva n GLU 68 N -2.78 1.53 -1.68 -1.24 -0.58 -1.14 -5.10 120.64 109.64 2uva n GLU 68 Ca -0.23 -1.02 -0.40 0.00 -0.42 0.00 0.00 57.16 55.09 2uva n GLU 68 Cb 0.67 0.31 0.02 0.00 -0.57 0.00 0.00 31.44 31.88 2uva n GLU 68 CO 0.00 0.00 0.00 -2.30 -0.48 0.00 0.00 177.13 174.35 2uva n PRO 69 N -0.34 1.65 0.00 3.49 -0.02 -1.26 -4.69 135.00 133.83 2uva n PRO 69 Ca -0.05 0.59 0.00 0.00 -2.02 0.00 0.00 63.50 62.02 2uva n PRO 69 Cb 0.18 -2.32 0.00 0.00 -0.02 0.00 0.00 33.50 31.34 2uva n PRO 69 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 2uva n SER 70 N -0.03 3.59 -3.44 2.55 7.64 -1.26 -3.92 113.62 118.74 2uva n SER 70 Ca 0.09 0.00 -0.19 0.00 1.01 0.00 0.00 58.87 59.77 2uva n SER 70 Cb 0.41 0.44 -0.08 0.00 -1.01 0.00 0.00 64.21 63.97 2uva n SER 70 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2uva s SER 71 N -2.20 1.61 0.40 6.43 0.15 -1.26 -4.89 113.70 113.93 2uva s SER 71 Ca 0.00 -1.73 0.22 0.00 0.70 0.00 0.00 55.95 55.13 2uva s SER 71 Cb 0.00 0.54 0.51 0.00 -1.71 0.00 0.00 66.02 65.37 2uva s SER 71 CO 0.00 -1.04 1.65 0.58 1.20 0.00 0.00 173.24 175.63 2uva h VAL 72 N 2.16 0.46 0.00 4.45 2.07 -1.96 -3.05 116.25 120.38 2uva h VAL 72 Ca -0.26 -1.41 0.00 0.00 0.82 0.00 0.00 66.70 65.85 2uva h VAL 72 Cb 1.23 2.03 0.00 0.00 -1.52 0.00 0.00 31.29 33.04 2uva h VAL 72 CO 0.38 0.23 0.00 0.58 0.02 0.00 0.00 177.57 178.79 2uva h VAL 73 N 0.00 0.00 0.00 2.57 2.07 -1.99 -2.75 116.25 116.15 2uva h VAL 73 Ca -0.00 -0.32 -0.18 0.00 0.82 0.00 0.00 66.70 67.02 2uva h VAL 73 Cb 1.01 1.21 -0.03 0.00 -1.52 0.00 0.00 31.29 31.96 2uva h VAL 73 CO 0.03 0.00 -1.75 -0.62 0.02 0.00 0.00 177.57 175.25 2uva n GLU 74 N -2.81 0.64 -0.20 1.57 1.02 -1.16 -2.84 120.64 116.86 2uva n GLU 74 Ca 0.00 0.08 -0.10 0.00 -0.02 0.00 0.00 57.16 57.13 2uva n GLU 74 Cb 0.23 -1.68 0.02 0.00 -0.02 0.00 0.00 31.44 29.98 2uva n GLU 74 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 2uva h LEU 75 N 0.00 1.05 0.07 -4.62 3.38 -1.49 -0.41 115.31 113.29 2uva h LEU 75 Ca -0.22 -0.33 -0.21 0.00 0.09 0.00 0.00 57.88 57.21 2uva h LEU 75 Cb 1.62 -0.28 0.02 0.00 0.09 0.00 0.00 40.66 42.11 2uva h LEU 75 CO 0.03 1.13 -0.85 0.58 0.09 0.00 0.00 178.44 179.42 2uva h VAL 76 N 0.95 1.40 -0.62 1.22 2.07 -1.70 -2.77 116.25 116.80 2uva h VAL 76 Ca 0.16 -2.30 0.03 0.00 0.82 0.00 0.00 66.70 65.40 2uva h VAL 76 Cb 0.62 2.76 -0.04 0.00 -1.52 0.00 0.00 31.29 33.12 2uva h VAL 76 CO 0.04 0.68 0.38 0.00 0.02 0.00 0.00 177.57 178.69 2uva h ALA 77 N 0.25 0.80 -0.12 1.67 0.00 -1.53 0.14 119.26 120.48 2uva h ALA 77 Ca -0.13 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.71 2uva h ALA 77 Cb 1.58 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 19.16 2uva h ALA 77 CO 0.16 0.13 -0.17 0.00 0.00 0.00 0.00 179.25 179.37 2uva h ARG 78 N 0.75 0.19 0.09 0.00 3.08 -1.16 -2.84 114.38 114.49 2uva h ARG 78 Ca 0.25 -0.05 -0.26 0.00 0.07 0.00 0.00 59.98 60.00 2uva h ARG 78 Cb 0.02 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.04 2uva h ARG 78 CO -0.10 0.36 -1.13 -0.92 -1.07 0.00 0.00 179.97 177.11 2uva h TYR 79 N 0.18 0.50 -0.79 3.04 3.20 -1.08 -2.53 116.97 119.50 2uva h TYR 79 Ca 0.03 -0.34 -0.05 0.00 3.14 0.00 0.00 58.73 61.52 2uva h TYR 79 Cb 0.41 -0.03 -0.03 0.00 1.54 0.00 0.00 36.73 38.62 2uva h TYR 79 CO 0.00 1.22 0.30 0.82 -1.64 0.00 0.00 178.16 178.87 2uva h ILE 80 N 0.12 1.26 0.00 1.81 2.04 -0.54 -1.11 117.51 121.08 2uva h ILE 80 Ca -0.11 -0.85 -0.15 0.00 1.00 0.00 0.00 64.86 64.75 2uva h ILE 80 Cb 1.83 0.33 -0.02 0.00 -0.74 0.00 0.00 36.82 38.23 2uva h ILE 80 CO 0.19 0.34 -0.71 0.00 0.00 0.00 0.00 178.15 177.98 2uva h ALA 81 N 1.17 0.55 -0.06 1.87 0.00 -1.57 -2.01 119.26 119.21 2uva h ALA 81 Ca 0.26 -0.64 -0.01 0.00 0.00 0.00 0.00 54.91 54.53 2uva h ALA 81 Cb 0.24 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 2uva h ALA 81 CO -0.02 0.87 0.01 0.35 0.00 0.00 0.00 179.25 180.47 2uva h PHE 82 N 0.00 0.09 -0.12 0.00 3.57 -1.04 -1.97 116.94 117.47 2uva h PHE 82 Ca -0.01 -0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.43 2uva h PHE 82 Cb 1.54 -0.03 -0.00 0.00 2.79 0.00 0.00 35.95 40.25 2uva h PHE 82 CO 0.00 0.30 -0.11 0.28 -2.23 0.00 0.00 178.31 176.55 2uva h VAL 83 N -0.14 1.35 0.00 1.41 2.07 -1.29 -3.04 116.25 116.61 2uva h VAL 83 Ca 0.02 -1.24 -0.01 0.00 0.82 0.00 0.00 66.70 66.29 2uva h VAL 83 Cb 0.25 1.91 -0.00 0.00 -1.52 0.00 0.00 31.29 31.93 2uva h VAL 83 CO 0.00 0.36 -0.03 0.00 0.02 0.00 0.00 177.57 177.92 2uva h ALA 84 N 0.60 1.18 0.02 1.67 0.00 -1.41 -0.79 119.26 120.53 2uva h ALA 84 Ca 0.02 -0.02 -0.24 0.00 0.00 0.00 0.00 54.91 54.67 2uva h ALA 84 Cb 0.62 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.41 2uva h ALA 84 CO 0.03 0.03 -1.00 1.25 0.00 0.00 0.00 179.25 179.56 2uva h HIS 85 N 0.00 0.68 0.00 0.00 6.17 -1.30 -3.22 115.15 117.48 2uva h HIS 85 Ca -0.00 -0.38 0.00 0.00 0.71 0.00 0.00 60.37 60.70 2uva h HIS 85 Cb 0.14 -0.07 0.00 0.00 2.52 0.00 0.00 27.41 30.00 2uva h HIS 85 CO 0.00 1.21 0.00 0.39 0.71 0.00 0.00 177.93 180.24 2uva n GLU 86 N -3.74 0.24 -0.05 5.26 4.71 -0.36 -0.87 120.64 125.82 2uva n GLU 86 Ca -0.08 0.01 -0.13 0.00 -0.01 0.00 0.00 57.16 56.96 2uva n GLU 86 Cb 0.87 -1.50 -0.11 0.00 -1.01 0.00 0.00 31.44 29.68 2uva n GLU 86 CO 0.00 0.00 0.00 0.28 0.09 0.00 0.00 177.13 177.50 2uva h VAL 87 N 0.00 1.55 0.00 2.62 2.07 -1.43 -3.34 116.25 117.71 2uva h VAL 87 Ca 0.00 -1.98 0.00 0.00 0.82 0.00 0.00 66.70 65.54 2uva h VAL 87 Cb 0.37 2.84 0.00 0.00 -1.52 0.00 0.00 31.29 32.97 2uva h VAL 87 CO 0.00 0.49 0.00 0.47 0.02 0.00 0.00 177.57 178.55 2uva n ASP 88 N -4.68 0.65 -4.78 0.57 8.00 -1.18 -4.77 116.55 110.36 2uva n ASP 88 Ca -0.09 0.56 -0.35 0.00 0.71 0.00 0.00 54.79 55.62 2uva n ASP 88 Cb 0.40 -0.74 -0.03 0.00 -0.02 0.00 0.00 41.12 40.73 2uva n ASP 88 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 2uva s GLU 89 N -3.09 3.83 0.00 -1.24 2.12 -0.05 -4.91 118.70 115.36 2uva s GLU 89 Ca 0.11 1.51 -0.04 0.00 0.36 0.00 0.00 54.97 56.92 2uva s GLU 89 Cb 0.13 -2.26 -0.17 0.00 0.26 0.00 0.00 34.13 32.10 2uva s GLU 89 CO 0.58 -0.43 2.54 0.41 -0.54 0.00 0.00 175.26 177.81 2uva n GLY 90 N 0.10 2.33 3.37 -1.50 0.00 -1.26 -4.80 105.19 103.43 2uva n GLY 90 Ca 0.08 -0.75 -0.45 0.00 0.00 0.00 0.00 46.02 44.90 2uva n GLY 90 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2uva s ASP 91 N 2.28 6.25 0.63 1.61 1.01 -1.26 -5.05 116.67 122.13 2uva s ASP 91 Ca 0.42 -1.59 -0.04 0.00 0.71 0.00 0.00 52.55 52.04 2uva s ASP 91 Cb 0.20 -2.29 0.04 0.00 1.01 0.00 0.00 42.92 41.87 2uva s ASP 91 CO 0.00 -1.05 0.91 -1.61 0.21 0.00 0.00 175.17 173.63 2uva s GLU 92 N 2.41 2.52 0.00 8.23 2.02 -1.26 -3.94 118.70 128.68 2uva s GLU 92 Ca 0.12 -0.30 0.00 0.00 0.02 0.00 0.00 54.97 54.82 2uva s GLU 92 Cb -0.23 -2.28 0.00 0.00 0.10 0.00 0.00 34.13 31.72 2uva s GLU 92 CO 0.04 -0.92 0.00 -0.25 0.02 0.00 0.00 175.26 174.15 2uva n ASP 93 N -2.66 0.00 -0.08 -0.19 8.00 -1.26 -4.64 116.55 115.71 2uva n ASP 93 Ca 0.07 0.00 0.08 0.00 0.71 0.00 0.00 54.79 55.65 2uva n ASP 93 Cb 0.59 -0.68 0.11 0.00 -0.02 0.00 0.00 41.12 41.13 2uva n ASP 93 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2uva n ALA 94 N 0.56 2.20 0.03 2.24 0.00 -1.25 -4.77 120.51 119.51 2uva n ALA 94 Ca 0.00 -2.30 -0.19 0.00 0.00 0.00 0.00 53.44 50.95 2uva n ALA 94 Cb 0.00 -0.33 -0.11 0.00 0.00 0.00 0.00 19.45 19.01 2uva n ALA 94 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2uva h HIS 95 N 0.00 0.82 -0.68 0.00 6.17 -1.83 -3.13 115.15 116.51 2uva h HIS 95 Ca 0.00 -0.46 0.02 0.00 0.71 0.00 0.00 60.37 60.64 2uva h HIS 95 Cb 0.96 -0.09 -0.04 0.00 2.52 0.00 0.00 27.41 30.76 2uva h HIS 95 CO 0.01 1.30 0.45 -1.35 0.71 0.00 0.00 177.93 179.04 2uva h PRO 96 N 0.12 0.83 0.01 5.26 0.11 -1.95 -3.00 132.00 133.38 2uva h PRO 96 Ca -0.11 -0.05 -0.19 0.00 0.11 0.00 0.00 66.00 65.76 2uva h PRO 96 Cb 1.55 -0.19 -0.02 0.00 0.11 0.00 0.00 31.00 32.45 2uva h PRO 96 CO 0.17 0.55 -0.88 1.79 -0.21 0.00 0.00 178.00 179.41 2uva h THR 97 N 0.85 1.55 -0.04 -1.15 1.35 -1.90 -3.23 112.91 110.34 2uva h THR 97 Ca 0.26 -2.78 -0.15 0.00 -0.55 0.00 0.00 66.41 63.19 2uva h THR 97 Cb 0.01 2.54 -0.01 0.00 -1.73 0.00 0.00 68.15 68.95 2uva h THR 97 CO -0.07 0.80 -0.66 0.78 -0.25 0.00 0.00 175.52 176.13 2uva h ASN 98 N 0.06 0.21 0.31 5.36 2.35 -1.50 -2.99 115.58 119.37 2uva h ASN 98 Ca -0.03 -0.13 0.00 0.00 -0.55 0.00 0.00 56.30 55.59 2uva h ASN 98 Cb 1.53 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 39.84 2uva h ASN 98 CO 0.13 0.80 0.00 0.18 -1.65 0.00 0.00 177.43 176.89 2uva n LEU 99 N -3.82 0.48 -0.13 1.61 4.77 -1.14 -1.64 117.00 117.14 2uva n LEU 99 Ca -0.02 0.67 -0.24 0.00 -0.03 0.00 0.00 56.01 56.38 2uva n LEU 99 Cb 0.65 -0.67 -0.11 0.00 -2.33 0.00 0.00 43.42 40.96 2uva n LEU 99 CO 0.44 -0.69 -1.32 -0.62 -1.33 0.00 0.00 177.39 173.87 2uva n GLU 100 N -2.09 0.62 -0.32 3.23 -0.58 -1.14 -2.89 120.64 117.48 2uva n GLU 100 Ca 0.00 0.24 0.11 0.00 -0.42 0.00 0.00 57.16 57.10 2uva n GLU 100 Cb 0.11 -1.53 0.33 0.00 -0.57 0.00 0.00 31.44 29.78 2uva n GLU 100 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 2uva h VAL 101 N -0.57 0.82 -0.06 2.62 2.07 -1.46 -2.25 116.25 117.43 2uva h VAL 101 Ca -0.62 -0.27 -0.00 0.00 0.82 0.00 0.00 66.70 66.62 2uva h VAL 101 Cb 1.73 -0.03 -0.00 0.00 -1.52 0.00 0.00 31.29 31.46 2uva h VAL 101 CO -0.26 0.14 0.03 0.25 0.02 0.00 0.00 177.57 177.75 2uva h LEU 102 N 0.79 0.08 -1.12 2.57 6.46 -1.45 -2.39 115.31 120.26 2uva h LEU 102 Ca 0.50 -0.14 0.02 0.00 -0.12 0.00 0.00 57.88 58.14 2uva h LEU 102 Cb 0.72 -0.02 -0.05 0.00 -0.73 0.00 0.00 40.66 40.58 2uva h LEU 102 CO -0.26 0.20 0.60 0.11 -0.62 0.00 0.00 178.44 178.47 2uva h LYS 103 N -0.04 1.15 -0.05 1.25 1.57 -1.29 -1.08 116.57 118.07 2uva h LYS 103 Ca 0.02 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.72 2uva h LYS 103 Cb 0.14 -0.26 -0.00 0.00 0.08 0.00 0.00 32.23 32.19 2uva h LYS 103 CO -0.00 0.76 0.00 -0.07 -0.57 0.00 0.00 179.45 179.57 2uva h LEU 104 N 1.18 0.09 -0.78 2.94 3.38 -1.33 -1.50 115.31 119.29 2uva h LEU 104 Ca 0.35 -0.30 -0.04 0.00 0.09 0.00 0.00 57.88 57.98 2uva h LEU 104 Cb -0.06 -0.02 -0.04 0.00 0.09 0.00 0.00 40.66 40.63 2uva h LEU 104 CO -0.09 0.37 0.35 0.40 0.09 0.00 0.00 178.44 179.56 2uva h ILE 105 N -0.19 1.25 -0.60 1.22 1.08 -1.25 0.12 117.51 119.13 2uva h ILE 105 Ca 0.02 -0.75 0.00 0.00 -0.39 0.00 0.00 64.86 63.73 2uva h ILE 105 Cb 0.33 0.29 -0.03 0.00 -3.07 0.00 0.00 36.82 34.34 2uva h ILE 105 CO 0.00 0.31 0.39 -0.07 -0.69 0.00 0.00 178.15 178.10 2uva h LEU 106 N 1.12 0.70 -0.08 1.44 3.38 -1.18 -1.56 115.31 119.12 2uva h LEU 106 Ca 0.27 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.18 2uva h LEU 106 Cb 0.17 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.74 2uva h LEU 106 CO -0.03 0.52 -0.05 0.78 0.09 0.00 0.00 178.44 179.75 2uva h ASN 107 N 0.82 0.18 0.01 -0.43 4.21 -0.84 -1.63 115.58 117.89 2uva h ASN 107 Ca 0.22 -0.44 -0.00 0.00 1.21 0.00 0.00 56.30 57.29 2uva h ASN 107 Cb -0.08 -0.05 -0.00 0.00 -1.12 0.00 0.00 38.32 37.07 2uva h ASN 107 CO -0.05 0.57 -0.00 -0.33 -1.29 0.00 0.00 177.43 176.33 2uva h GLU 108 N -0.22 0.00 0.07 0.81 4.39 -0.74 0.25 114.58 119.13 2uva h GLU 108 Ca 0.02 0.00 -0.14 0.00 0.34 0.00 0.00 59.36 59.58 2uva h GLU 108 Cb 0.51 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.16 2uva h GLU 108 CO 0.01 0.00 -0.67 0.35 -1.16 0.00 0.00 179.01 177.54 2uva h PHE 109 N 0.00 0.25 0.00 4.33 3.57 -1.19 -2.61 116.94 121.30 2uva h PHE 109 Ca -0.00 -0.18 -0.03 0.00 3.53 0.00 0.00 57.97 61.28 2uva h PHE 109 Cb 0.01 -0.01 -0.00 0.00 2.79 0.00 0.00 35.95 38.73 2uva h PHE 109 CO 0.00 1.26 -0.15 0.93 -2.23 0.00 0.00 178.31 178.12 2uva h GLU 110 N -0.68 0.00 0.00 1.11 5.08 -1.01 -1.18 114.58 117.91 2uva h GLU 110 Ca -0.14 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.22 2uva h GLU 110 Cb 1.38 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.63 2uva h GLU 110 CO 0.03 0.15 0.00 0.54 -1.00 0.00 0.00 179.01 178.74 2uva n ARG 111 N -3.39 0.00 0.02 2.33 1.74 0.84 -2.33 116.66 115.87 2uva n ARG 111 Ca -0.00 0.20 -0.18 0.00 -0.77 0.00 0.00 57.85 57.09 2uva n ARG 111 Cb 0.35 -1.01 -0.13 0.00 -1.02 0.00 0.00 32.46 30.65 2uva n ARG 111 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2uva h ALA 112 N -2.00 -0.03 0.00 7.54 0.00 -1.54 -3.25 119.26 119.98 2uva h ALA 112 Ca 0.00 -0.62 -0.04 0.00 0.00 0.00 0.00 54.91 54.24 2uva h ALA 112 Cb 0.00 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 2uva h ALA 112 CO 0.00 0.31 -0.35 0.74 0.00 0.00 0.00 179.25 179.95 2uva h PHE 113 N -0.37 0.00 0.08 0.00 -1.00 -1.44 -3.37 116.94 110.83 2uva h PHE 113 Ca -0.10 0.00 -0.25 0.00 2.81 0.00 0.00 57.97 60.43 2uva h PHE 113 Cb 1.44 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.99 2uva h PHE 113 CO 0.19 0.57 -1.15 0.52 -1.61 0.00 0.00 178.31 176.83 2uva h MET 114 N -1.00 0.16 -6.28 1.51 2.86 -1.45 -3.49 114.93 107.25 2uva h MET 114 Ca -0.07 -0.28 -0.45 0.00 -2.06 0.00 0.00 59.70 56.85 2uva h MET 114 Cb 0.64 0.10 0.07 0.00 0.06 0.00 0.00 31.60 32.48 2uva h MET 114 CO -0.04 1.13 -0.94 0.54 1.06 0.00 0.00 176.91 178.66 2uva n ARG 115 N -3.46 -1.37 0.00 1.72 1.74 -0.99 -1.64 116.66 112.67 2uva n ARG 115 Ca -0.05 0.43 0.00 0.00 -0.77 0.00 0.00 57.85 57.46 2uva n ARG 115 Cb 0.99 -4.08 0.00 0.00 -1.02 0.00 0.00 32.46 28.35 2uva n ARG 115 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2uva n GLY 116 N -1.72 1.97 3.79 -0.13 0.00 -1.16 -4.96 105.19 102.98 2uva n GLY 116 Ca -0.11 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.57 2uva n GLY 116 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2uva s ASN 117 N 0.00 5.94 0.62 1.61 3.84 -0.65 -5.00 114.94 121.30 2uva s ASN 117 Ca 0.00 1.98 -0.19 0.00 0.21 0.00 0.00 52.86 54.86 2uva s ASN 117 Cb 0.00 -2.56 -0.02 0.00 -0.55 0.00 0.00 41.25 38.12 2uva s ASN 117 CO 0.00 -1.06 1.30 -0.62 -2.79 0.00 0.00 177.10 173.93 2uva s ASP 118 N -2.15 4.82 0.57 -4.21 2.15 -1.26 -4.76 116.67 111.83 2uva s ASP 118 Ca 0.68 2.62 0.30 0.00 0.43 0.00 0.00 52.55 56.58 2uva s ASP 118 Cb -0.19 -2.62 1.73 0.00 -0.30 0.00 0.00 42.92 41.55 2uva s ASP 118 CO 0.27 -1.86 2.20 0.58 -0.17 0.00 0.00 175.17 176.19 2uva h VAL 119 N 0.77 0.49 0.00 1.11 2.07 -1.95 -2.74 116.25 116.01 2uva h VAL 119 Ca -0.51 -0.20 -0.04 0.00 0.82 0.00 0.00 66.70 66.77 2uva h VAL 119 Cb 1.32 1.13 0.00 0.00 -1.52 0.00 0.00 31.29 32.23 2uva h VAL 119 CO 0.54 0.04 -0.17 0.45 0.02 0.00 0.00 177.57 178.46 2uva h HIS 120 N 0.00 0.17 0.00 1.57 3.86 -1.91 -0.50 115.15 118.34 2uva h HIS 120 Ca -0.00 -0.09 0.00 0.00 -1.16 0.00 0.00 60.37 59.12 2uva h HIS 120 Cb 0.13 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 28.58 2uva h HIS 120 CO 0.00 0.90 0.00 0.00 0.86 0.00 0.00 177.93 179.69 2uva n ALA 121 N -2.53 1.81 0.89 2.45 0.00 -1.15 -1.40 120.51 120.57 2uva n ALA 121 Ca -0.10 0.06 0.10 0.00 0.00 0.00 0.00 53.44 53.51 2uva n ALA 121 Cb 0.47 -1.41 -0.08 0.00 0.00 0.00 0.00 19.45 18.43 2uva n ALA 121 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.50 179.01 2uva n ILE 122 N -2.26 0.01 0.10 0.00 3.06 -1.04 -3.79 119.36 115.44 2uva n ILE 122 Ca 0.03 -0.06 0.05 0.00 -2.50 0.00 0.00 62.75 60.27 2uva n ILE 122 Cb 0.28 0.79 -0.00 0.00 0.54 0.00 0.00 39.64 41.25 2uva n ILE 122 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 2uva h ALA 123 N 2.89 0.66 0.00 1.51 0.00 -0.50 -3.33 119.26 120.49 2uva h ALA 123 Ca 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.47 2uva h ALA 123 Cb 0.56 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.43 2uva h ALA 123 CO 0.00 0.52 0.00 0.00 0.00 0.00 0.00 179.25 179.77 2uva n ALA 124 N -2.26 1.96 -1.88 0.00 0.00 -0.50 -2.59 120.51 115.24 2uva n ALA 124 Ca -0.03 -0.04 0.05 0.00 0.00 0.00 0.00 53.44 53.42 2uva n ALA 124 Cb 0.71 -1.11 0.12 0.00 0.00 0.00 0.00 19.45 19.17 2uva n ALA 124 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 2uva n ASN 125 N -0.76 1.41 -4.76 0.00 0.23 -1.25 -5.07 115.26 105.06 2uva n ASN 125 Ca 0.05 -3.03 -0.23 0.00 -0.53 0.00 0.00 54.58 50.84 2uva n ASN 125 Cb 0.02 -0.42 -0.06 0.00 -2.08 0.00 0.00 39.78 37.25 2uva n ASN 125 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 2uva s VAL 126 N -1.86 2.88 -0.38 3.53 1.01 -1.07 -5.04 120.40 119.47 2uva s VAL 126 Ca 0.33 -1.64 -0.38 0.00 0.00 0.00 0.00 61.98 60.29 2uva s VAL 126 Cb 0.34 -3.00 -0.14 0.00 0.00 0.00 0.00 36.38 33.58 2uva s VAL 126 CO -0.09 -0.13 2.11 0.00 0.00 0.00 0.00 175.10 177.00 2uva n ALA 127 N -1.22 0.66 -1.89 5.51 0.00 -1.26 -4.80 120.51 117.50 2uva n ALA 127 Ca -0.02 0.07 -0.41 0.00 0.00 0.00 0.00 53.44 53.08 2uva n ALA 127 Cb 0.62 -2.37 -0.03 0.00 0.00 0.00 0.00 19.45 17.67 2uva n ALA 127 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2uva s GLY 128 N 6.43 0.50 0.00 0.00 0.00 -1.26 -4.67 107.32 108.32 2uva s GLY 128 Ca 1.11 0.15 0.00 0.00 0.00 0.00 0.00 44.72 45.98 2uva s GLY 128 CO 0.56 3.49 0.45 4.51 0.00 0.00 0.00 173.10 182.11 2uva n ILE 129 N 7.50 0.08 -1.02 0.90 3.06 -1.26 -4.97 119.36 123.64 2uva n ILE 129 Ca 0.25 -0.44 -0.01 0.00 -2.50 0.00 0.00 62.75 60.05 2uva n ILE 129 Cb 0.48 1.14 -0.00 0.00 0.54 0.00 0.00 39.64 41.80 2uva n ILE 129 CO 0.00 0.00 0.00 0.41 -2.50 0.00 0.00 176.55 174.46 2uva n THR 130 N -0.04 0.00 0.00 9.51 -1.04 -1.26 -4.57 114.28 116.87 2uva n THR 130 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2uva n THR 130 Cb 0.07 -1.02 0.00 0.00 -1.82 0.00 0.00 70.33 67.56 2uva n THR 130 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2uva n ALA 131 N 1.01 2.02 0.30 2.41 0.00 -1.26 -4.70 120.51 120.29 2uva n ALA 131 Ca -0.01 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.57 2uva n ALA 131 Cb 0.50 0.28 0.35 0.00 0.00 0.00 0.00 19.45 20.58 2uva n ALA 131 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2uva h LYS 132 N 0.00 0.00 0.00 0.00 1.57 -1.88 -2.30 116.57 113.96 2uva h LYS 132 Ca 0.00 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.73 2uva h LYS 132 Cb 0.57 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.87 2uva h LYS 132 CO 0.00 0.00 -0.26 0.87 -0.57 0.00 0.00 179.45 179.49 2uva h LYS 133 N 0.00 0.00 0.05 3.15 1.57 -1.86 -1.92 116.57 117.56 2uva h LYS 133 Ca 0.00 0.00 -0.27 0.00 -1.87 0.00 0.00 60.65 58.51 2uva h LYS 133 Cb 0.81 0.00 0.02 0.00 0.08 0.00 0.00 32.23 33.14 2uva h LYS 133 CO 0.00 0.26 -1.07 0.82 -0.57 0.00 0.00 179.45 178.89 2uva h ILE 134 N 0.00 1.30 -0.46 1.86 2.04 -1.72 -3.29 117.51 117.25 2uva h ILE 134 Ca -0.00 -2.31 0.12 0.00 1.00 0.00 0.00 64.86 63.66 2uva h ILE 134 Cb 0.64 2.55 -0.02 0.00 -0.74 0.00 0.00 36.82 39.25 2uva h ILE 134 CO 0.03 0.71 0.32 1.23 0.00 0.00 0.00 178.15 180.44 2uva h GLY 135 N 0.27 0.11 1.21 5.37 0.00 -0.84 -1.52 103.07 107.67 2uva h GLY 135 Ca -0.15 -0.03 -0.33 0.00 0.00 0.00 0.00 47.33 46.82 2uva h GLY 135 CO 0.21 0.02 -1.54 -2.08 0.00 0.00 0.00 176.54 173.15 2uva h VAL 136 N 0.07 1.20 0.00 4.60 2.07 -1.59 -3.05 116.25 119.55 2uva h VAL 136 Ca 0.22 -2.70 -0.01 0.00 0.82 0.00 0.00 66.70 65.03 2uva h VAL 136 Cb 0.77 2.94 -0.00 0.00 -1.52 0.00 0.00 31.29 33.48 2uva h VAL 136 CO -0.02 0.83 -0.03 0.58 0.02 0.00 0.00 177.57 178.96 2uva h VAL 137 N 0.12 0.07 0.00 2.57 2.07 -1.37 -2.80 116.25 116.92 2uva h VAL 137 Ca -0.27 -0.53 -0.14 0.00 0.82 0.00 0.00 66.70 66.58 2uva h VAL 137 Cb 2.12 1.49 -0.03 0.00 -1.52 0.00 0.00 31.29 33.36 2uva h VAL 137 CO 0.23 0.03 -2.03 -2.11 0.02 0.00 0.00 177.57 173.71 2uva n ARG 138 N -3.14 0.66 0.26 1.57 1.85 -0.78 -3.63 116.66 113.45 2uva n ARG 138 Ca 0.00 -0.08 0.12 0.00 -1.00 0.00 0.00 57.85 56.89 2uva n ARG 138 Cb 0.30 -1.56 0.69 0.00 -1.05 0.00 0.00 32.46 30.83 2uva n ARG 138 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2uva h ALA 139 N 1.60 1.32 0.00 2.89 0.00 -1.39 -2.20 119.26 121.49 2uva h ALA 139 Ca -0.20 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.59 2uva h ALA 139 Cb 1.48 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.25 2uva h ALA 139 CO 0.01 0.17 -0.02 -0.92 0.00 0.00 0.00 179.25 178.50 2uva h TYR 140 N 0.00 0.00 0.00 0.00 3.20 -1.64 -3.14 116.97 115.38 2uva h TYR 140 Ca -0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 2uva h TYR 140 Cb 0.35 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.62 2uva h TYR 140 CO 0.00 0.00 0.00 0.66 -1.64 0.00 0.00 178.16 177.18 2uva n TYR 141 N -4.74 0.00 -0.10 -3.82 4.02 -1.21 0.41 117.16 111.72 2uva n TYR 141 Ca -0.00 0.00 -0.13 0.00 -0.01 0.00 0.00 57.90 57.76 2uva n TYR 141 Cb 0.01 -0.05 -0.11 0.00 -0.02 0.00 0.00 39.34 39.18 2uva n TYR 141 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2uva n ALA 142 N -0.10 1.55 0.27 -0.72 0.00 -0.83 -4.14 120.51 116.54 2uva n ALA 142 Ca 0.00 -0.96 0.12 0.00 0.00 0.00 0.00 53.44 52.60 2uva n ALA 142 Cb 0.11 -0.02 0.09 0.00 0.00 0.00 0.00 19.45 19.64 2uva n ALA 142 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2uva h GLY 143 N 2.05 0.00 0.83 0.00 0.00 -1.14 -2.85 103.07 101.96 2uva h GLY 143 Ca -0.47 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 46.81 2uva h GLY 143 CO -0.05 0.00 -0.07 -0.09 0.00 0.00 0.00 176.54 176.33 2uva h ARG 144 N 0.00 0.45 0.00 4.80 9.65 -0.27 -2.96 114.38 126.05 2uva h ARG 144 Ca 0.00 -0.18 0.00 0.00 -1.10 0.00 0.00 59.98 58.70 2uva h ARG 144 Cb 0.93 -0.02 0.00 0.00 -1.39 0.00 0.00 29.97 29.48 2uva h ARG 144 CO 0.00 0.69 -0.71 0.00 2.80 0.00 0.00 179.97 182.75 2uva h ALA 145 N 0.74 0.62 -0.00 2.80 0.00 -1.72 -1.34 119.26 120.37 2uva h ALA 145 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2uva h ALA 145 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.33 2uva h ALA 145 CO 0.03 0.00 -0.09 0.00 0.00 0.00 0.00 179.25 179.18 2uva n ALA 146 N -2.09 2.69 -0.39 0.00 0.00 -1.07 -2.35 120.51 117.30 2uva n ALA 146 Ca 0.02 -0.22 0.03 0.00 0.00 0.00 0.00 53.44 53.26 2uva n ALA 146 Cb 0.52 -1.38 0.04 0.00 0.00 0.00 0.00 19.45 18.63 2uva n ALA 146 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2uva n ALA 147 N -1.14 2.01 -1.19 0.00 0.00 -1.12 -4.94 120.51 114.13 2uva n ALA 147 Ca 0.13 -1.39 -0.06 0.00 0.00 0.00 0.00 53.44 52.11 2uva n ALA 147 Cb 0.28 -0.11 -0.03 0.00 0.00 0.00 0.00 19.45 19.59 2uva n ALA 147 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2uva n GLY 148 N -0.70 0.81 3.69 0.00 0.00 -0.99 -4.99 105.19 103.00 2uva n GLY 148 Ca 0.04 -0.26 -0.41 0.00 0.00 0.00 0.00 46.02 45.39 2uva n GLY 148 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2uva s ARG 149 N -2.15 4.35 -0.34 1.61 0.52 -0.53 -4.98 118.95 117.43 2uva s ARG 149 Ca 0.00 0.95 -0.19 0.00 -0.52 0.00 0.00 55.73 55.97 2uva s ARG 149 Cb 0.00 -3.52 -0.01 0.00 0.52 0.00 0.00 34.95 31.94 2uva s ARG 149 CO 0.00 -0.16 0.56 0.00 0.02 0.00 0.00 175.30 175.71 2uva s ALA 150 N 1.58 3.49 -0.13 2.13 0.00 -1.26 -4.56 121.76 123.00 2uva s ALA 150 Ca 0.38 -0.89 -0.26 0.00 0.00 0.00 0.00 51.96 51.19 2uva s ALA 150 Cb -0.17 -3.05 -0.12 0.00 0.00 0.00 0.00 23.12 19.78 2uva s ALA 150 CO 0.15 -1.19 0.78 -2.30 0.00 0.00 0.00 175.76 173.21 2uva n PRO 151 N 5.82 0.00 -1.81 0.00 -0.02 -1.26 -4.81 135.00 132.91 2uva n PRO 151 Ca -0.03 0.00 -0.42 0.00 -2.02 0.00 0.00 63.50 61.03 2uva n PRO 151 Cb 0.49 -0.90 -0.03 0.00 -0.02 0.00 0.00 33.50 33.04 2uva n PRO 151 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 2uva s LYS 152 N 0.81 4.16 -0.16 -0.52 1.02 -1.26 -4.52 119.74 119.26 2uva s LYS 152 Ca 0.58 2.50 -0.21 0.00 0.02 0.00 0.00 55.97 58.85 2uva s LYS 152 Cb -0.82 -3.31 -0.25 0.00 -0.52 0.00 0.00 37.83 32.93 2uva s LYS 152 CO 0.41 -0.74 1.54 -2.30 -0.92 0.00 0.00 175.35 173.34 2uva n PRO 153 N 4.68 0.34 -2.32 -1.68 -0.02 -1.26 -4.57 135.00 130.17 2uva n PRO 153 Ca 0.16 -1.04 -0.31 0.00 -2.02 0.00 0.00 63.50 60.28 2uva n PRO 153 Cb 0.38 -2.45 -0.02 0.00 -0.02 0.00 0.00 33.50 31.39 2uva n PRO 153 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 2uva s TYR 154 N 6.07 3.50 0.02 6.00 1.51 -1.18 -4.98 117.35 128.29 2uva s TYR 154 Ca 0.50 1.36 0.05 0.00 -1.01 0.00 0.00 57.07 57.97 2uva s TYR 154 Cb 0.11 -2.72 -0.03 0.00 -0.11 0.00 0.00 41.96 39.21 2uva s TYR 154 CO 0.22 -0.42 -0.13 0.16 -1.11 0.00 0.00 175.55 174.27 2uva s ASP 155 N -3.39 4.17 0.79 2.29 -4.77 -1.26 -4.64 116.67 109.85 2uva s ASP 155 Ca 0.57 -0.29 -0.12 0.00 -3.30 0.00 0.00 52.55 49.41 2uva s ASP 155 Cb -0.10 -0.83 0.07 0.00 -1.09 0.00 0.00 42.92 40.97 2uva s ASP 155 CO 0.37 0.27 1.12 -0.94 0.70 0.00 0.00 175.17 176.70 2uva s SER 156 N -1.38 4.09 0.64 2.11 1.04 -1.26 -4.68 113.70 114.26 2uva s SER 156 Ca 0.15 2.02 0.32 0.00 0.48 0.00 0.00 55.95 58.92 2uva s SER 156 Cb -0.11 -2.55 1.73 0.00 0.10 0.00 0.00 66.02 65.19 2uva s SER 156 CO 0.06 -2.32 2.01 0.00 0.98 0.00 0.00 173.24 173.97 2uva h ALA 157 N -1.08 1.48 0.26 5.32 0.00 -1.26 0.14 119.26 124.11 2uva h ALA 157 Ca -0.44 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.45 2uva h ALA 157 Cb 1.25 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.05 2uva h ALA 157 CO 0.49 -0.33 -0.12 1.25 0.00 0.00 0.00 179.25 180.53 2uva h LEU 158 N 0.00 -0.29 -0.89 0.00 6.46 -1.89 -2.72 115.31 115.98 2uva h LEU 158 Ca 0.04 -0.06 -0.10 0.00 -0.12 0.00 0.00 57.88 57.64 2uva h LEU 158 Cb 0.62 0.08 -0.01 0.00 -0.73 0.00 0.00 40.66 40.61 2uva h LEU 158 CO -0.00 0.18 -0.49 -0.26 -0.62 0.00 0.00 178.44 177.25 2uva h PHE 159 N -1.07 0.00 0.30 1.25 -1.00 -1.79 -0.59 116.94 114.04 2uva h PHE 159 Ca -0.04 0.00 -0.00 0.00 2.81 0.00 0.00 57.97 60.74 2uva h PHE 159 Cb 0.34 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.88 2uva h PHE 159 CO 0.02 0.49 -0.28 -0.09 -1.61 0.00 0.00 178.31 176.84 2uva h ARG 160 N 0.00 -0.58 0.00 1.51 2.43 -0.87 0.96 114.38 117.83 2uva h ARG 160 Ca -0.00 0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 2uva h ARG 160 Cb 0.97 0.13 0.00 0.00 -0.42 0.00 0.00 29.97 30.65 2uva h ARG 160 CO 0.06 -0.38 0.00 0.00 -1.51 0.00 0.00 179.97 178.14 2uva n ALA 161 N -2.55 2.49 -0.05 2.80 0.00 -1.03 -0.69 120.51 121.49 2uva n ALA 161 Ca -0.09 -0.14 -0.22 0.00 0.00 0.00 0.00 53.44 52.99 2uva n ALA 161 Cb 0.30 -1.36 -0.13 0.00 0.00 0.00 0.00 19.45 18.26 2uva n ALA 161 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2uva n ALA 162 N -0.91 0.90 0.16 0.00 0.00 -0.26 -0.02 120.51 120.39 2uva n ALA 162 Ca 0.17 -0.62 0.01 0.00 0.00 0.00 0.00 53.44 53.00 2uva n ALA 162 Cb 0.08 -0.56 0.25 0.00 0.00 0.00 0.00 19.45 19.22 2uva n ALA 162 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2uva h ALA 163 N -0.17 1.05 -0.14 0.00 0.00 -0.62 -2.15 119.26 117.23 2uva h ALA 163 Ca -0.43 -0.46 -0.01 0.00 0.00 0.00 0.00 54.91 54.01 2uva h ALA 163 Cb 1.77 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.47 2uva h ALA 163 CO -0.05 0.63 0.02 0.39 0.00 0.00 0.00 179.25 180.24 2uva n GLU 164 N -3.77 1.83 -4.02 0.00 1.02 0.14 -4.91 120.64 110.91 2uva n GLU 164 Ca -0.01 -0.71 -0.30 0.00 -0.02 0.00 0.00 57.16 56.12 2uva n GLU 164 Cb 0.55 -1.63 -0.05 0.00 -0.02 0.00 0.00 31.44 30.28 2uva n GLU 164 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2uva n ASN 165 N 0.14 -0.57 -0.13 1.62 4.13 -0.81 -4.85 115.26 114.79 2uva n ASN 165 Ca 0.07 -1.07 -0.26 0.00 1.68 0.00 0.00 54.58 55.00 2uva n ASN 165 Cb 0.50 -1.32 -0.10 0.00 -1.54 0.00 0.00 39.78 37.31 2uva n ASN 165 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 2uva n ASN 166 N -2.11 1.94 -4.59 6.41 3.02 0.97 -5.01 115.26 115.90 2uva n ASN 166 Ca -0.21 0.20 -0.33 0.00 -0.03 0.00 0.00 54.58 54.21 2uva n ASN 166 Cb 0.54 -0.69 -0.11 0.00 -0.61 0.00 0.00 39.78 38.92 2uva n ASN 166 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 2uva s VAL 167 N -2.50 3.66 -0.40 2.41 -7.23 -0.49 -5.00 120.40 110.84 2uva s VAL 167 Ca -0.37 -0.65 -0.03 0.00 -1.81 0.00 0.00 61.98 59.12 2uva s VAL 167 Cb 0.13 -2.55 0.10 0.00 0.56 0.00 0.00 36.38 34.63 2uva s VAL 167 CO 0.51 0.48 0.20 -0.54 -0.31 0.00 0.00 175.10 175.43 2uva s LYS 168 N -1.16 2.08 -0.26 4.82 -0.14 -1.26 -4.39 119.74 119.43 2uva s LYS 168 Ca 0.15 -1.76 -0.19 0.00 -1.36 0.00 0.00 55.97 52.81 2uva s LYS 168 Cb -0.11 -3.57 -0.02 0.00 -1.68 0.00 0.00 37.83 32.44 2uva s LYS 168 CO 0.05 -1.04 0.56 0.42 -0.76 0.00 0.00 175.35 174.58 2uva s ILE 169 N 1.17 5.04 0.29 2.17 1.01 -1.26 -2.47 121.20 127.15 2uva s ILE 169 Ca 0.07 0.97 0.07 0.00 0.00 0.00 0.00 60.65 61.76 2uva s ILE 169 Cb -0.23 -3.87 -0.03 0.00 0.01 0.00 0.00 42.46 38.35 2uva s ILE 169 CO -0.04 0.07 0.32 -0.31 0.00 0.00 0.00 174.94 174.98 2uva s TYR 170 N 2.37 3.14 0.04 3.97 1.51 -0.55 -1.61 117.35 126.21 2uva s TYR 170 Ca 0.23 -0.16 0.06 0.00 -1.01 0.00 0.00 57.07 56.19 2uva s TYR 170 Cb -0.16 -1.67 -0.03 0.00 -0.11 0.00 0.00 41.96 39.99 2uva s TYR 170 CO 0.09 0.30 -0.15 0.45 -1.11 0.00 0.00 175.55 175.13 2uva s SER 171 N -3.98 4.04 -0.03 2.29 0.15 0.04 -1.68 113.70 114.54 2uva s SER 171 Ca 0.38 -0.36 -0.02 0.00 0.70 0.00 0.00 55.95 56.64 2uva s SER 171 Cb -0.08 -0.73 0.01 0.00 -1.71 0.00 0.00 66.02 63.51 2uva s SER 171 CO 0.28 0.25 0.06 -0.51 1.20 0.00 0.00 173.24 174.52 2uva s ILE 172 N -0.98 -0.01 -0.13 6.45 2.07 -0.41 -2.63 121.20 125.56 2uva s ILE 172 Ca 0.16 0.04 -0.00 0.00 -1.41 0.00 0.00 60.65 59.44 2uva s ILE 172 Cb -0.11 -0.10 0.02 0.00 0.13 0.00 0.00 42.46 42.41 2uva s ILE 172 CO 0.07 0.02 -0.10 -0.36 -1.91 0.00 0.00 174.94 172.65 2uva s PHE 173 N 0.26 1.74 0.00 3.50 0.40 -0.60 -1.83 117.98 121.45 2uva s PHE 173 Ca -0.02 -0.91 0.00 0.00 -0.60 0.00 0.00 56.93 55.40 2uva s PHE 173 Cb -0.03 -1.36 0.00 0.00 0.51 0.00 0.00 43.02 42.14 2uva s PHE 173 CO -0.01 -0.57 0.00 0.41 0.70 0.00 0.00 175.22 175.75 2uva n GLY 174 N 4.86 -1.89 0.00 4.36 0.00 -1.26 0.82 105.19 112.08 2uva n GLY 174 Ca -0.14 -1.53 0.00 0.00 0.00 0.00 0.00 46.02 44.35 2uva n GLY 174 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2uva n GLY 175 N 3.43 2.45 3.56 -0.02 0.00 -1.26 -3.45 105.19 109.90 2uva n GLY 175 Ca 0.00 -0.59 -0.39 0.00 0.00 0.00 0.00 46.02 45.04 2uva n GLY 175 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2uva s GLN 176 N 1.38 2.63 -0.40 1.61 -0.21 -1.26 -4.75 119.66 118.65 2uva s GLN 176 Ca 0.00 0.97 0.03 0.00 0.02 0.00 0.00 55.36 56.39 2uva s GLN 176 Cb 0.00 -4.40 0.17 0.00 1.00 0.00 0.00 33.01 29.77 2uva s GLN 176 CO 0.00 -2.70 0.34 0.20 -2.12 0.00 0.00 175.29 171.00 2uva s GLY 177 N 8.76 0.99 -1.56 3.09 0.00 -1.26 -4.88 107.32 112.45 2uva s GLY 177 Ca 0.77 -2.23 -0.15 0.00 0.00 0.00 0.00 44.72 43.12 2uva s GLY 177 CO 0.24 2.21 0.84 0.70 0.00 0.00 0.00 173.10 177.09 2uva n ASN 178 N 3.07 -4.15 -4.21 1.64 3.02 -1.26 -4.91 115.26 108.47 2uva n ASN 178 Ca 0.26 -0.80 -0.41 0.00 -0.03 0.00 0.00 54.58 53.60 2uva n ASN 178 Cb 0.47 -3.35 -0.08 0.00 -0.61 0.00 0.00 39.78 36.20 2uva n ASN 178 CO 0.00 0.00 0.00 -0.51 -2.62 0.00 0.00 177.26 174.13 2uva s ILE 179 N -3.23 4.26 -1.77 2.41 2.07 -1.26 -4.82 121.20 118.86 2uva s ILE 179 Ca 0.66 -1.91 0.14 0.00 -1.41 0.00 0.00 60.65 58.13 2uva s ILE 179 Cb -0.34 -3.79 0.11 0.00 0.13 0.00 0.00 42.46 38.57 2uva s ILE 179 CO 0.81 -0.80 0.95 -0.62 -1.91 0.00 0.00 174.94 173.37 2uva n GLU 180 N 4.75 0.99 -1.04 3.50 1.02 -1.26 -4.44 120.64 124.16 2uva n GLU 180 Ca -0.06 -1.34 -0.07 0.00 -0.02 0.00 0.00 57.16 55.67 2uva n GLU 180 Cb 0.41 -1.27 0.16 0.00 -0.02 0.00 0.00 31.44 30.71 2uva n GLU 180 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2uva n GLU 181 N 0.79 2.19 -0.26 3.49 1.02 -1.26 -4.72 120.64 121.88 2uva n GLU 181 Ca 0.08 -3.45 -0.05 0.00 -0.02 0.00 0.00 57.16 53.72 2uva n GLU 181 Cb 0.36 -1.88 0.09 0.00 -0.02 0.00 0.00 31.44 29.99 2uva n GLU 181 CO 0.00 0.00 0.00 0.10 1.18 0.00 0.00 177.13 178.41 2uva h TYR 182 N 1.31 1.14 0.00 -0.32 -0.00 -1.98 -1.93 116.97 115.19 2uva h TYR 182 Ca 0.21 -0.09 0.00 0.00 0.00 0.00 0.00 58.73 58.84 2uva h TYR 182 Cb 1.38 -0.34 0.00 0.00 0.00 0.00 0.00 36.73 37.77 2uva h TYR 182 CO 0.94 0.88 0.00 0.34 -0.00 0.00 0.00 178.16 180.32 2uva n PHE 183 N -4.27 0.57 0.08 0.10 7.35 -1.26 -1.22 117.46 118.81 2uva n PHE 183 Ca 0.06 0.22 -0.07 0.00 -0.76 0.00 0.00 57.45 56.90 2uva n PHE 183 Cb 0.20 -0.85 0.07 0.00 0.35 0.00 0.00 39.48 39.24 2uva n PHE 183 CO 0.00 0.00 0.00 -0.44 -0.76 0.00 0.00 176.76 175.56 2uva h ASP 184 N 0.00 0.32 -0.19 -2.13 5.19 -1.71 -3.02 116.42 114.88 2uva h ASP 184 Ca 0.00 -0.20 -0.10 0.00 -0.62 0.00 0.00 57.03 56.11 2uva h ASP 184 Cb 0.37 -0.09 -0.01 0.00 0.18 0.00 0.00 39.33 39.77 2uva h ASP 184 CO 0.00 0.91 -0.21 -0.33 -3.12 0.00 0.00 179.24 176.49 2uva h GLU 185 N 0.18 0.63 -0.98 3.56 5.08 -1.13 -2.53 114.58 119.40 2uva h GLU 185 Ca -0.02 -0.23 0.00 0.00 -1.00 0.00 0.00 59.36 58.11 2uva h GLU 185 Cb 1.25 -0.04 -0.05 0.00 0.50 0.00 0.00 28.75 30.41 2uva h GLU 185 CO 0.11 0.80 0.62 -0.07 -1.00 0.00 0.00 179.01 179.46 2uva h LEU 186 N 0.56 1.15 -0.67 1.33 3.38 -1.46 -0.99 115.31 118.60 2uva h LEU 186 Ca 0.08 -0.05 -0.09 0.00 0.09 0.00 0.00 57.88 57.91 2uva h LEU 186 Cb 0.66 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 2uva h LEU 186 CO 0.05 0.86 0.05 0.03 0.09 0.00 0.00 178.44 179.51 2uva h ARG 187 N 1.34 1.08 -0.45 1.13 3.08 -1.38 0.11 114.38 119.27 2uva h ARG 187 Ca 0.35 -0.31 0.07 0.00 0.07 0.00 0.00 59.98 60.16 2uva h ARG 187 Cb -0.10 -0.11 -0.06 0.00 0.08 0.00 0.00 29.97 29.78 2uva h ARG 187 CO -0.07 1.02 0.12 0.93 -1.07 0.00 0.00 179.97 180.90 2uva h GLU 188 N 0.99 0.26 0.35 0.04 5.08 -1.01 0.24 114.58 120.53 2uva h GLU 188 Ca 0.19 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.51 2uva h GLU 188 Cb 0.50 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.70 2uva h GLU 188 CO 0.02 0.17 -0.17 0.82 -1.00 0.00 0.00 179.01 178.85 2uva h ILE 189 N 0.27 0.00 -0.57 3.13 2.04 -0.73 -1.62 117.51 120.03 2uva h ILE 189 Ca 0.22 0.00 0.11 0.00 1.00 0.00 0.00 64.86 66.19 2uva h ILE 189 Cb 0.25 0.00 -0.11 0.00 -0.74 0.00 0.00 36.82 36.22 2uva h ILE 189 CO -0.26 0.00 -0.23 0.22 0.00 0.00 0.00 178.15 177.88 2uva h TYR 190 N -0.47 -0.57 0.16 1.37 3.20 -0.80 -0.15 116.97 119.71 2uva h TYR 190 Ca -0.05 0.06 0.01 0.00 3.14 0.00 0.00 58.73 61.89 2uva h TYR 190 Cb 0.36 0.34 -0.02 0.00 1.54 0.00 0.00 36.73 38.96 2uva h TYR 190 CO 0.13 -0.32 -0.18 1.15 -1.64 0.00 0.00 178.16 177.30 2uva h THR 191 N -0.09 0.61 0.14 1.81 2.02 -0.99 -3.27 112.91 113.13 2uva h THR 191 Ca 0.26 0.00 -0.20 0.00 0.77 0.00 0.00 66.41 67.24 2uva h THR 191 Cb 0.50 0.61 0.02 0.00 -1.74 0.00 0.00 68.15 67.53 2uva h THR 191 CO -0.63 0.00 -0.89 0.74 0.37 0.00 0.00 175.52 175.11 2uva h THR 192 N -0.38 1.45 -2.29 3.16 2.02 -0.72 -3.39 112.91 112.76 2uva h THR 192 Ca 0.01 -2.52 -0.63 0.00 0.77 0.00 0.00 66.41 64.03 2uva h THR 192 Cb 0.36 3.14 -0.40 0.00 -1.74 0.00 0.00 68.15 69.52 2uva h THR 192 CO -0.05 0.72 -0.39 -1.22 0.37 0.00 0.00 175.52 174.94 2uva n TYR 193 N -4.10 3.60 0.19 3.16 4.01 -0.12 -4.33 117.16 119.57 2uva n TYR 193 Ca -0.15 -3.87 -0.14 0.00 -0.16 0.00 0.00 57.90 53.57 2uva n TYR 193 Cb 0.84 -0.64 -0.08 0.00 -0.31 0.00 0.00 39.34 39.15 2uva n TYR 193 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 2uva h PRO 194 N 3.94 -0.47 -0.62 -0.72 0.11 -1.76 -2.84 132.00 129.65 2uva h PRO 194 Ca 0.20 0.03 0.12 0.00 0.11 0.00 0.00 66.00 66.46 2uva h PRO 194 Cb 0.59 0.11 -0.12 0.00 0.11 0.00 0.00 31.00 31.69 2uva h PRO 194 CO 0.90 -0.18 -0.17 0.66 -0.21 0.00 0.00 178.00 179.01 2uva h SER 195 N -0.75 -0.61 -0.50 -2.05 4.64 -1.91 0.10 113.55 112.47 2uva h SER 195 Ca -0.05 0.19 -0.02 0.00 -0.47 0.00 0.00 61.79 61.44 2uva h SER 195 Cb 0.51 0.40 -0.02 0.00 -0.31 0.00 0.00 62.40 62.97 2uva h SER 195 CO 0.08 -0.21 0.23 -0.26 -0.87 0.00 0.00 176.83 175.80 2uva h PHE 196 N -0.01 0.73 0.00 4.77 -1.00 -1.90 -3.39 116.94 116.13 2uva h PHE 196 Ca 0.29 -0.04 -0.17 0.00 2.81 0.00 0.00 57.97 60.87 2uva h PHE 196 Cb 0.46 -0.22 -0.03 0.00 3.61 0.00 0.00 35.95 39.77 2uva h PHE 196 CO -0.52 0.58 -1.62 0.28 -1.61 0.00 0.00 178.31 175.43 2uva n VAL 197 N -4.60 0.62 -0.33 -0.55 0.31 -1.01 -4.65 118.33 108.13 2uva n VAL 197 Ca 0.02 -0.38 0.36 0.00 -0.01 0.00 0.00 64.34 64.33 2uva n VAL 197 Cb 0.13 -0.77 0.68 0.00 -0.91 0.00 0.00 33.84 32.97 2uva n VAL 197 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 2uva h GLU 198 N 0.00 0.00 0.00 5.55 4.81 -1.18 -1.29 114.58 122.47 2uva h GLU 198 Ca -0.25 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 58.98 2uva h GLU 198 Cb 1.55 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.93 2uva h GLU 198 CO 0.01 0.00 -0.00 -0.44 -0.73 0.00 0.00 179.01 177.85 2uva h ASP 199 N 0.00 -0.00 1.77 1.04 5.19 -1.82 -1.74 116.42 120.85 2uva h ASP 199 Ca 0.59 -0.73 -0.02 0.00 -0.62 0.00 0.00 57.03 56.24 2uva h ASP 199 Cb 2.69 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 42.20 2uva h ASP 199 CO -0.01 0.73 -0.12 0.17 -3.12 0.00 0.00 179.24 176.90 2uva h LEU 200 N -0.74 0.00 0.47 1.55 -0.00 -1.60 -2.55 115.31 112.43 2uva h LEU 200 Ca -0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 57.86 2uva h LEU 200 Cb 0.73 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.40 2uva h LEU 200 CO 0.00 0.12 -0.22 0.40 -0.00 0.00 0.00 178.44 178.73 2uva h ILE 201 N 0.00 0.54 -0.31 0.15 2.04 -1.34 -1.07 117.51 117.52 2uva h ILE 201 Ca -0.00 -0.01 0.05 0.00 1.00 0.00 0.00 64.86 65.91 2uva h ILE 201 Cb 1.03 0.54 -0.05 0.00 -0.74 0.00 0.00 36.82 37.61 2uva h ILE 201 CO 0.02 0.00 -0.00 0.74 0.00 0.00 0.00 178.15 178.90 2uva h THR 202 N -0.63 0.77 -0.01 -0.27 2.02 -1.16 -2.17 112.91 111.45 2uva h THR 202 Ca -0.06 -0.03 -0.11 0.00 0.77 0.00 0.00 66.41 66.97 2uva h THR 202 Cb 0.48 0.67 0.01 0.00 -1.74 0.00 0.00 68.15 67.58 2uva h THR 202 CO 0.11 0.02 -0.43 0.77 0.37 0.00 0.00 175.52 176.35 2uva h SER 203 N 0.09 0.40 0.20 4.18 4.64 -1.47 -2.73 113.55 118.84 2uva h SER 203 Ca 0.15 -0.75 -0.01 0.00 -0.47 0.00 0.00 61.79 60.70 2uva h SER 203 Cb 0.20 -0.12 -0.00 0.00 -0.31 0.00 0.00 62.40 62.17 2uva h SER 203 CO -0.25 1.10 -0.07 0.40 -0.87 0.00 0.00 176.83 177.13 2uva h ILE 204 N -0.26 0.58 0.73 0.95 2.04 -1.21 -0.36 117.51 119.97 2uva h ILE 204 Ca -0.05 -0.30 -0.04 0.00 1.00 0.00 0.00 64.86 65.47 2uva h ILE 204 Cb 1.16 1.19 0.01 0.00 -0.74 0.00 0.00 36.82 38.44 2uva h ILE 204 CO 0.09 0.07 -0.35 0.00 0.00 0.00 0.00 178.15 177.96 2uva h ALA 205 N 1.93 -0.98 0.00 1.87 0.00 -1.26 -2.73 119.26 118.09 2uva h ALA 205 Ca -0.00 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 2uva h ALA 205 Cb 0.19 0.38 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 2uva h ALA 205 CO 0.01 -0.97 -0.06 0.93 0.00 0.00 0.00 179.25 179.17 2uva h GLU 206 N -1.14 0.00 0.04 0.00 5.08 -1.09 0.35 114.58 117.82 2uva h GLU 206 Ca -0.10 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.26 2uva h GLU 206 Cb 0.77 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.02 2uva h GLU 206 CO 0.16 0.06 -0.02 1.25 -1.00 0.00 0.00 179.01 179.46 2uva h LEU 207 N 0.00 -0.05 -0.57 1.33 5.85 -1.03 -2.87 115.31 117.97 2uva h LEU 207 Ca -0.00 -0.10 -0.15 0.00 0.84 0.00 0.00 57.88 58.47 2uva h LEU 207 Cb 0.24 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.28 2uva h LEU 207 CO 0.01 0.07 -0.48 -0.07 -0.34 0.00 0.00 178.44 177.63 2uva h LEU 208 N -0.16 0.64 -1.08 2.25 3.38 -0.78 -2.19 115.31 117.37 2uva h LEU 208 Ca -0.01 -0.32 0.08 0.00 0.09 0.00 0.00 57.88 57.73 2uva h LEU 208 Cb 0.14 -0.18 -0.07 0.00 0.09 0.00 0.00 40.66 40.64 2uva h LEU 208 CO 0.01 1.02 0.62 1.56 0.09 0.00 0.00 178.44 181.73 2uva h GLN 209 N 0.47 1.02 -0.03 1.13 4.20 -1.04 0.37 115.11 121.23 2uva h GLN 209 Ca 0.03 -0.06 -0.22 0.00 0.06 0.00 0.00 58.65 58.46 2uva h GLN 209 Cb 1.01 -0.23 0.00 0.00 0.30 0.00 0.00 27.48 28.56 2uva h GLN 209 CO 0.09 0.67 -0.88 0.77 -0.67 0.00 0.00 178.83 178.81 2uva h SER 210 N 1.05 0.56 -0.35 1.46 0.02 -1.30 -3.05 113.55 111.94 2uva h SER 210 Ca 0.43 -0.43 -0.02 0.00 -0.84 0.00 0.00 61.79 60.94 2uva h SER 210 Cb 0.29 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 62.64 2uva h SER 210 CO -0.18 1.21 0.16 -0.07 -1.14 0.00 0.00 176.83 176.81 2uva h LEU 211 N 0.27 0.51 -1.59 5.07 3.38 -0.71 -2.78 115.31 119.46 2uva h LEU 211 Ca -0.07 -0.05 -0.05 0.00 0.09 0.00 0.00 57.88 57.81 2uva h LEU 211 Cb 1.50 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 42.12 2uva h LEU 211 CO 0.16 0.46 -0.21 0.00 0.09 0.00 0.00 178.44 178.93 2uva h ALA 212 N 1.62 1.32 0.00 1.53 0.00 -0.84 -2.91 119.26 119.98 2uva h ALA 212 Ca 0.14 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 2uva h ALA 212 Cb 0.11 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 2uva h ALA 212 CO -0.01 0.27 -0.65 0.00 0.00 0.00 0.00 179.25 178.86 2uva h ARG 213 N 0.00 0.00 -6.43 0.00 3.08 -1.52 -3.26 114.38 106.25 2uva h ARG 213 Ca -0.00 0.00 -0.59 0.00 0.07 0.00 0.00 59.98 59.46 2uva h ARG 213 Cb 0.48 0.00 0.04 0.00 0.08 0.00 0.00 29.97 30.57 2uva h ARG 213 CO 0.03 0.01 0.92 0.39 -1.07 0.00 0.00 179.97 180.25 2uva n GLU 214 N -2.84 2.20 -0.44 0.04 1.02 -1.10 -4.76 120.64 114.76 2uva n GLU 214 Ca 0.01 0.80 0.38 0.00 -0.02 0.00 0.00 57.16 58.33 2uva n GLU 214 Cb 0.55 -2.60 0.65 0.00 -0.02 0.00 0.00 31.44 30.01 2uva n GLU 214 CO 0.00 0.00 0.00 -2.67 1.18 0.00 0.00 177.13 175.64 2uva n TRP 215 N 4.66 0.74 0.02 -0.32 -0.00 -1.26 -0.09 117.44 121.19 2uva n TRP 215 Ca 0.19 0.75 -0.07 0.00 -0.00 0.00 0.00 57.50 58.37 2uva n TRP 215 Cb 0.30 -1.18 0.11 0.00 -0.00 0.00 0.00 31.31 30.54 2uva n TRP 215 CO 0.00 0.00 0.00 -0.44 -0.00 0.00 0.00 177.69 177.25 2uva h ASP 216 N 0.00 0.51 0.68 -0.67 3.32 -1.94 -3.26 116.42 115.06 2uva h ASP 216 Ca 0.85 -0.24 0.00 0.00 0.02 0.00 0.00 57.03 57.66 2uva h ASP 216 Cb 2.69 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 42.09 2uva h ASP 216 CO -0.49 0.90 -0.43 0.00 -1.72 0.00 0.00 179.24 177.49 2uva n ALA 217 N -2.50 3.19 -0.10 3.45 0.00 0.87 -4.15 120.51 121.27 2uva n ALA 217 Ca -0.02 -0.28 -0.10 0.00 0.00 0.00 0.00 53.44 53.04 2uva n ALA 217 Cb 0.54 -1.20 -0.02 0.00 0.00 0.00 0.00 19.45 18.77 2uva n ALA 217 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 2uva h VAL 218 N 0.00 1.17 -0.12 0.00 -1.51 -1.57 -2.44 116.25 111.78 2uva h VAL 218 Ca 0.00 -0.51 0.03 0.00 -1.23 0.00 0.00 66.70 64.99 2uva h VAL 218 Cb 0.56 0.94 -0.03 0.00 -2.13 0.00 0.00 31.29 30.63 2uva h VAL 218 CO 0.00 0.18 -0.07 0.11 -1.23 0.00 0.00 177.57 176.56 2uva h LYS 219 N 0.35 -0.07 0.00 5.19 1.57 -1.79 -2.41 116.57 119.41 2uva h LYS 219 Ca 0.10 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 2uva h LYS 219 Cb 0.16 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.49 2uva h LYS 219 CO -0.01 -0.05 0.00 1.04 -0.57 0.00 0.00 179.45 179.86 2uva n GLN 220 N -5.21 0.46 -3.45 3.15 1.13 -1.17 -3.67 117.38 108.61 2uva n GLN 220 Ca -0.04 0.04 -0.27 0.00 -1.94 0.00 0.00 57.00 54.80 2uva n GLN 220 Cb 0.14 -1.50 -0.09 0.00 0.11 0.00 0.00 30.24 28.90 2uva n GLN 220 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 2uva n TYR 221 N -1.23 2.44 -0.05 1.08 4.02 -0.91 -4.88 117.16 117.64 2uva n TYR 221 Ca 0.14 -4.00 -0.15 0.00 -0.01 0.00 0.00 57.90 53.88 2uva n TYR 221 Cb 0.18 -0.47 -0.07 0.00 -0.02 0.00 0.00 39.34 38.96 2uva n TYR 221 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 176.86 174.50 2uva h PRO 222 N 4.43 0.54 -0.00 -0.72 0.11 -1.65 -3.13 132.00 131.57 2uva h PRO 222 Ca 0.17 -0.37 0.00 0.00 0.11 0.00 0.00 66.00 65.91 2uva h PRO 222 Cb 0.74 0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.90 2uva h PRO 222 CO 0.71 0.98 -0.08 1.17 -0.21 0.00 0.00 178.00 180.57 2uva n LYS 223 N -4.29 0.81 0.00 1.05 4.81 -1.26 -5.02 118.16 114.25 2uva n LYS 223 Ca -0.07 -0.26 0.00 0.00 -0.87 0.00 0.00 58.31 57.11 2uva n LYS 223 Cb 0.53 -1.49 0.00 0.00 0.02 0.00 0.00 35.03 34.08 2uva n LYS 223 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2uva n GLY 224 N 1.23 -0.60 2.69 3.14 0.00 -1.19 -4.90 105.19 105.56 2uva n GLY 224 Ca 0.16 -1.70 -0.28 0.00 0.00 0.00 0.00 46.02 44.20 2uva n GLY 224 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2uva s LEU 225 N -2.91 3.07 -0.57 0.99 0.20 -1.26 -5.00 118.68 113.19 2uva s LEU 225 Ca 0.00 -3.19 0.06 0.00 0.69 0.00 0.00 54.13 51.69 2uva s LEU 225 Cb 0.00 -1.07 0.22 0.00 -0.43 0.00 0.00 46.19 44.90 2uva s LEU 225 CO 0.00 -0.17 0.57 -0.67 -0.29 0.00 0.00 176.35 175.79 2uva n ASP 226 N 2.78 2.19 0.00 3.68 -0.08 -1.26 -4.12 116.55 119.75 2uva n ASP 226 Ca 0.19 -3.07 0.06 0.00 -1.51 0.00 0.00 54.79 50.46 2uva n ASP 226 Cb 0.39 -0.67 0.47 0.00 2.34 0.00 0.00 41.12 43.64 2uva n ASP 226 CO 0.00 0.00 0.00 0.40 0.12 0.00 0.00 177.20 177.72 2uva h ILE 227 N 3.49 1.04 -0.40 5.18 2.04 -1.94 -0.02 117.51 126.89 2uva h ILE 227 Ca 0.17 -0.16 -0.08 0.00 1.00 0.00 0.00 64.86 65.79 2uva h ILE 227 Cb 0.77 0.54 -0.02 0.00 -0.74 0.00 0.00 36.82 37.37 2uva h ILE 227 CO 0.66 0.08 -0.07 -0.07 0.00 0.00 0.00 178.15 178.75 2uva h LEU 228 N 0.46 0.67 -0.11 1.44 3.38 -1.93 -2.59 115.31 116.63 2uva h LEU 228 Ca 0.17 -0.18 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 2uva h LEU 228 Cb 0.10 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.67 2uva h LEU 228 CO -0.04 0.79 0.01 -0.61 0.09 0.00 0.00 178.44 178.67 2uva h GLN 229 N 0.64 0.20 -0.04 1.13 5.75 -1.41 -1.82 115.11 119.56 2uva h GLN 229 Ca 0.12 -0.06 -0.08 0.00 -0.15 0.00 0.00 58.65 58.48 2uva h GLN 229 Cb 0.50 -0.02 -0.01 0.00 1.07 0.00 0.00 27.48 29.02 2uva h GLN 229 CO 0.03 0.43 -0.34 -1.49 -2.65 0.00 0.00 178.83 174.81 2uva h TRP 230 N -0.06 0.08 -0.31 3.99 6.55 -1.48 -1.29 115.95 123.41 2uva h TRP 230 Ca 0.03 -0.02 -0.17 0.00 0.95 0.00 0.00 58.89 59.69 2uva h TRP 230 Cb 0.34 -0.02 -0.00 0.00 -0.86 0.00 0.00 29.16 28.62 2uva h TRP 230 CO 0.03 0.40 -0.48 -0.07 -1.05 0.00 0.00 178.44 177.27 2uva h LEU 231 N 0.06 0.93 0.18 -4.49 3.38 -1.35 -3.22 115.31 110.80 2uva h LEU 231 Ca 0.01 -0.47 -0.01 0.00 0.09 0.00 0.00 57.88 57.50 2uva h LEU 231 Cb 0.63 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.11 2uva h LEU 231 CO 0.05 1.25 -0.09 0.45 0.09 0.00 0.00 178.44 180.19 2uva h HIS 232 N 0.67 -0.23 -3.52 1.13 3.86 -1.05 -3.41 115.15 112.61 2uva h HIS 232 Ca 0.03 -0.01 -0.72 0.00 -1.16 0.00 0.00 60.37 58.52 2uva h HIS 232 Cb 1.07 0.07 -0.32 0.00 1.06 0.00 0.00 27.41 29.30 2uva h HIS 232 CO 0.06 0.12 -0.29 -0.80 0.86 0.00 0.00 177.93 177.88 2uva s ASN 233 N -5.41 5.68 0.51 2.45 0.01 -0.51 -4.95 114.94 112.71 2uva s ASN 233 Ca -0.10 -2.49 0.17 0.00 -0.71 0.00 0.00 52.86 49.73 2uva s ASN 233 Cb 0.00 -1.97 1.25 0.00 0.41 0.00 0.00 41.25 40.94 2uva s ASN 233 CO 0.35 -0.52 2.11 -0.65 -1.51 0.00 0.00 177.10 176.88 2uva h PRO 234 N 7.67 0.06 0.00 -0.60 0.11 -1.79 0.63 132.00 138.08 2uva h PRO 234 Ca -0.06 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.05 2uva h PRO 234 Cb 1.01 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.11 2uva h PRO 234 CO 0.76 0.04 0.00 0.39 -0.21 0.00 0.00 178.00 178.98 2uva n GLU 235 N -4.50 0.08 -0.22 1.05 1.02 -1.26 -1.00 120.64 115.81 2uva n GLU 235 Ca 0.01 0.39 0.11 0.00 -0.02 0.00 0.00 57.16 57.65 2uva n GLU 235 Cb 0.20 -1.67 0.23 0.00 -0.02 0.00 0.00 31.44 30.18 2uva n GLU 235 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2uva n SER 236 N -1.82 3.49 -4.72 1.62 2.88 0.21 -4.95 113.62 110.33 2uva n SER 236 Ca 0.02 -1.98 -0.42 0.00 -1.33 0.00 0.00 58.87 55.16 2uva n SER 236 Cb 0.15 -0.29 -0.03 0.00 -0.75 0.00 0.00 64.21 63.29 2uva n SER 236 CO 0.00 0.00 0.00 -1.58 -1.23 0.00 0.00 175.04 172.23 2uva s GLN 237 N -1.34 4.29 0.95 -1.46 0.74 -0.17 -4.73 119.66 117.95 2uva s GLN 237 Ca 0.39 2.15 -0.11 0.00 0.05 0.00 0.00 55.36 57.84 2uva s GLN 237 Cb 0.22 -3.23 0.17 0.00 1.10 0.00 0.00 33.01 31.27 2uva s GLN 237 CO 0.30 -0.48 1.12 -2.14 -0.55 0.00 0.00 175.29 173.54 2uva s PRO 238 N 1.13 0.74 0.64 1.67 0.02 -1.26 -4.96 135.00 132.97 2uva s PRO 238 Ca 0.66 1.40 -0.18 0.00 0.02 0.00 0.00 61.00 62.90 2uva s PRO 238 Cb -0.39 -1.71 -0.01 0.00 0.02 0.00 0.00 34.50 32.41 2uva s PRO 238 CO 0.30 -2.77 1.25 -0.51 -0.33 0.00 0.00 177.00 174.94 2uva s ASP 239 N -2.69 4.76 0.58 2.53 1.01 -1.26 -4.80 116.67 116.80 2uva s ASP 239 Ca 0.67 2.49 0.28 0.00 0.71 0.00 0.00 52.55 56.70 2uva s ASP 239 Cb -0.23 -2.61 1.55 0.00 1.01 0.00 0.00 42.92 42.64 2uva s ASP 239 CO 0.59 -1.89 2.00 0.74 0.21 0.00 0.00 175.17 176.82 2uva h THR 240 N 0.54 0.46 -0.30 -1.27 2.02 -1.94 -0.10 112.91 112.33 2uva h THR 240 Ca -0.50 0.00 -0.18 0.00 0.77 0.00 0.00 66.41 66.50 2uva h THR 240 Cb 1.32 0.74 -0.00 0.00 -1.74 0.00 0.00 68.15 68.46 2uva h THR 240 CO 0.53 0.00 -0.52 0.44 0.37 0.00 0.00 175.52 176.35 2uva h ASP 241 N 0.00 0.95 0.57 4.18 3.32 -1.96 -3.21 116.42 120.28 2uva h ASP 241 Ca 0.16 -0.50 -0.03 0.00 0.02 0.00 0.00 57.03 56.68 2uva h ASP 241 Cb 0.83 -0.27 0.01 0.00 0.22 0.00 0.00 39.33 40.11 2uva h ASP 241 CO -0.00 1.29 -0.28 0.22 -1.72 0.00 0.00 179.24 178.75 2uva h TYR 242 N 0.67 -0.71 -0.28 4.55 3.20 -1.35 -3.13 116.97 119.91 2uva h TYR 242 Ca 0.02 -0.02 0.05 0.00 3.14 0.00 0.00 58.73 61.93 2uva h TYR 242 Cb 1.12 0.24 -0.01 0.00 1.54 0.00 0.00 36.73 39.61 2uva h TYR 242 CO 0.07 -0.44 0.20 -0.07 -1.64 0.00 0.00 178.16 176.27 2uva h LEU 243 N -0.77 0.12 -0.19 2.82 3.38 -1.60 -2.13 115.31 116.94 2uva h LEU 243 Ca -0.08 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.89 2uva h LEU 243 Cb 0.59 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.31 2uva h LEU 243 CO 0.13 0.08 0.00 0.58 0.09 0.00 0.00 178.44 179.32 2uva h VAL 244 N 0.14 0.00 -3.93 1.22 2.07 -1.54 -3.06 116.25 111.15 2uva h VAL 244 Ca 0.13 -0.83 -0.54 0.00 0.82 0.00 0.00 66.70 66.28 2uva h VAL 244 Cb 0.33 1.83 0.10 0.00 -1.52 0.00 0.00 31.29 32.03 2uva h VAL 244 CO -0.02 0.00 0.77 -0.94 0.02 0.00 0.00 177.57 177.40 2uva s SER 245 N -5.81 6.38 0.16 0.57 1.04 -0.80 -4.57 113.70 110.66 2uva s SER 245 Ca 0.07 3.02 -0.28 0.00 0.48 0.00 0.00 55.95 59.24 2uva s SER 245 Cb 0.07 -2.67 -0.01 0.00 0.10 0.00 0.00 66.02 63.51 2uva s SER 245 CO 0.64 -0.85 1.56 0.00 0.98 0.00 0.00 173.24 175.57 2uva h ALA 246 N 3.05 -0.47 -0.78 5.32 0.00 -1.88 0.86 119.26 125.35 2uva h ALA 246 Ca -0.51 0.08 0.15 0.00 0.00 0.00 0.00 54.91 54.64 2uva h ALA 246 Cb 1.24 1.06 -0.15 0.00 0.00 0.00 0.00 17.79 19.94 2uva h ALA 246 CO 0.64 -0.90 -0.22 -1.35 0.00 0.00 0.00 179.25 177.42 2uva h PRO 247 N -0.24 -0.02 0.00 0.00 0.11 -1.91 -0.60 132.00 129.34 2uva h PRO 247 Ca 0.15 0.00 -0.15 0.00 0.11 0.00 0.00 66.00 66.11 2uva h PRO 247 Cb 0.56 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.65 2uva h PRO 247 CO -0.70 -0.01 -1.14 0.28 -0.21 0.00 0.00 178.00 176.21 2uva h VAL 248 N -0.02 0.63 0.11 3.15 2.07 -1.62 -3.39 116.25 117.17 2uva h VAL 248 Ca 0.36 -2.08 -0.01 0.00 0.82 0.00 0.00 66.70 65.80 2uva h VAL 248 Cb 0.58 2.16 0.00 0.00 -1.52 0.00 0.00 31.29 32.50 2uva h VAL 248 CO -0.81 0.36 -0.05 -1.28 0.02 0.00 0.00 177.57 175.80 2uva h SER 249 N 0.00 -0.13 0.00 0.57 0.87 0.20 -3.18 113.55 111.89 2uva h SER 249 Ca -0.11 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.45 2uva h SER 249 Cb 1.53 0.03 0.00 0.00 -0.44 0.00 0.00 62.40 63.52 2uva h SER 249 CO 0.05 -0.08 0.00 0.49 -0.53 0.00 0.00 176.83 176.76 2uva n PHE 250 N -2.44 0.00 -0.03 2.24 3.01 -0.36 -1.23 117.46 118.65 2uva n PHE 250 Ca -0.02 0.00 -0.11 0.00 1.01 0.00 0.00 57.45 58.33 2uva n PHE 250 Cb 0.06 -0.47 -0.05 0.00 -0.01 0.00 0.00 39.48 39.00 2uva n PHE 250 CO 0.00 0.00 0.00 -1.35 1.01 0.00 0.00 176.76 176.42 2uva h PRO 251 N 0.00 0.20 -0.46 -1.08 0.11 -1.76 -1.58 132.00 127.43 2uva h PRO 251 Ca 0.00 -0.04 0.09 0.00 0.11 0.00 0.00 66.00 66.16 2uva h PRO 251 Cb 0.00 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 31.05 2uva h PRO 251 CO 0.00 0.30 0.32 1.25 -0.21 0.00 0.00 178.00 179.66 2uva h LEU 252 N 0.06 0.21 0.02 2.35 5.85 -1.50 -2.00 115.31 120.30 2uva h LEU 252 Ca 0.05 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.77 2uva h LEU 252 Cb 0.17 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.16 2uva h LEU 252 CO -0.00 0.13 -0.01 0.40 -0.34 0.00 0.00 178.44 178.61 2uva h ILE 253 N 0.23 1.42 -1.03 4.05 2.04 -0.53 -3.12 117.51 120.58 2uva h ILE 253 Ca 0.21 -1.40 0.27 0.00 1.00 0.00 0.00 64.86 64.95 2uva h ILE 253 Cb 0.54 2.35 -0.12 0.00 -0.74 0.00 0.00 36.82 38.85 2uva h ILE 253 CO -0.04 0.36 0.62 1.23 0.00 0.00 0.00 178.15 180.31 2uva h GLY 254 N -0.63 1.77 1.49 5.37 0.00 -0.67 0.27 103.07 110.66 2uva h GLY 254 Ca -0.00 -0.27 0.05 0.00 0.00 0.00 0.00 47.33 47.11 2uva h GLY 254 CO 0.00 -0.28 0.24 -2.00 0.00 0.00 0.00 176.54 174.51 2uva h LEU 255 N 0.47 0.26 0.00 3.11 5.85 -1.32 0.11 115.31 123.79 2uva h LEU 255 Ca 0.66 -0.00 -0.11 0.00 0.84 0.00 0.00 57.88 59.27 2uva h LEU 255 Cb 1.44 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 42.39 2uva h LEU 255 CO -0.46 0.17 -0.58 0.58 -0.34 0.00 0.00 178.44 177.81 2uva h VAL 256 N 0.30 0.79 0.00 1.05 2.07 -0.50 -1.81 116.25 118.14 2uva h VAL 256 Ca 0.15 -2.14 -0.24 0.00 0.82 0.00 0.00 66.70 65.29 2uva h VAL 256 Cb 0.24 2.36 0.01 0.00 -1.52 0.00 0.00 31.29 32.38 2uva h VAL 256 CO -0.03 0.45 -0.99 1.56 0.02 0.00 0.00 177.57 178.58 2uva h GLN 257 N 0.00 0.54 0.26 1.57 4.20 -0.68 -2.81 115.11 118.18 2uva h GLN 257 Ca -0.02 -0.58 -0.01 0.00 0.06 0.00 0.00 58.65 58.10 2uva h GLN 257 Cb 1.39 0.16 0.00 0.00 0.30 0.00 0.00 27.48 29.34 2uva h GLN 257 CO 0.06 1.20 -0.12 -0.07 -0.67 0.00 0.00 178.83 179.23 2uva h LEU 258 N 0.30 -0.29 -2.43 1.46 4.07 -0.87 -2.62 115.31 114.93 2uva h LEU 258 Ca -0.10 -0.18 0.02 0.00 0.08 0.00 0.00 57.88 57.70 2uva h LEU 258 Cb 1.63 0.08 -0.00 0.00 1.08 0.00 0.00 40.66 43.44 2uva h LEU 258 CO 0.18 0.03 0.09 0.00 -1.08 0.00 0.00 178.44 177.66 2uva h ALA 259 N 0.00 1.55 0.29 1.53 0.00 -1.42 0.39 119.26 121.60 2uva h ALA 259 Ca -0.04 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 2uva h ALA 259 Cb 0.45 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.25 2uva h ALA 259 CO 0.06 -0.13 -0.14 0.45 0.00 0.00 0.00 179.25 179.49 2uva h HIS 260 N 0.00 -0.36 -0.64 0.00 3.86 -1.42 -1.61 115.15 114.97 2uva h HIS 260 Ca 0.03 -0.01 0.12 0.00 -1.16 0.00 0.00 60.37 59.35 2uva h HIS 260 Cb 0.22 0.12 -0.09 0.00 1.06 0.00 0.00 27.41 28.72 2uva h HIS 260 CO 0.00 -0.07 0.17 -0.92 0.86 0.00 0.00 177.93 177.97 2uva h TYR 261 N -1.01 0.28 -0.57 2.45 3.20 -0.96 0.61 116.97 120.96 2uva h TYR 261 Ca -0.04 0.04 0.06 0.00 3.14 0.00 0.00 58.73 61.93 2uva h TYR 261 Cb 0.45 -0.02 -0.06 0.00 1.54 0.00 0.00 36.73 38.64 2uva h TYR 261 CO 0.03 -0.01 0.27 1.98 -1.64 0.00 0.00 178.16 178.79 2uva h MET 262 N 0.30 0.49 0.00 1.82 4.05 -0.34 -1.87 114.93 119.38 2uva h MET 262 Ca 0.34 -0.03 -0.13 0.00 -0.28 0.00 0.00 59.70 59.60 2uva h MET 262 Cb 0.51 -0.11 -0.02 0.00 -0.80 0.00 0.00 31.60 31.18 2uva h MET 262 CO -0.41 0.33 -0.62 0.82 0.23 0.00 0.00 176.91 177.25 2uva h ILE 263 N 0.51 1.42 -0.00 1.77 2.04 -0.21 -0.86 117.51 122.18 2uva h ILE 263 Ca 0.27 -2.16 -0.00 0.00 1.00 0.00 0.00 64.86 63.96 2uva h ILE 263 Cb 0.22 2.18 -0.00 0.00 -0.74 0.00 0.00 36.82 38.48 2uva h ILE 263 CO -0.21 0.61 -0.00 0.74 0.00 0.00 0.00 178.15 179.29 2uva h THR 264 N 0.00 1.30 -0.24 -0.27 2.02 -0.45 -1.23 112.91 114.04 2uva h THR 264 Ca -0.01 -0.88 -0.03 0.00 0.77 0.00 0.00 66.41 66.27 2uva h THR 264 Cb 1.13 1.89 -0.01 0.00 -1.74 0.00 0.00 68.15 69.41 2uva h THR 264 CO 0.08 0.23 0.04 0.00 0.37 0.00 0.00 175.52 176.24 2uva h LYS 266 N 0.21 1.15 -0.18 0.00 1.57 -1.19 -1.59 116.57 116.55 2uva h LYS 266 Ca 0.07 -0.14 -0.16 0.00 -1.87 0.00 0.00 60.65 58.56 2uva h LYS 266 Cb 0.32 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.40 2uva h LYS 266 CO 0.00 0.85 -0.55 1.15 -0.57 0.00 0.00 179.45 180.34 2uva h THR 267 N 1.14 1.33 -0.77 -0.16 2.02 -1.23 -2.73 112.91 112.50 2uva h THR 267 Ca 0.29 -1.80 0.08 0.00 0.77 0.00 0.00 66.41 65.75 2uva h THR 267 Cb 0.04 1.78 -0.05 0.00 -1.74 0.00 0.00 68.15 68.19 2uva h THR 267 CO -0.04 0.56 0.51 -0.07 0.37 0.00 0.00 175.52 176.84 2uva h LEU 268 N 0.40 0.68 0.00 2.58 3.38 -1.01 -3.47 115.31 117.88 2uva h LEU 268 Ca 0.01 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2uva h LEU 268 Cb 1.08 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.70 2uva h LEU 268 CO 0.10 0.43 0.00 0.61 0.09 0.00 0.00 178.44 179.67 2uva n GLY 269 N -1.44 0.93 3.55 0.83 0.00 -0.65 -3.08 105.19 105.32 2uva n GLY 269 Ca 0.12 -0.03 -0.18 0.00 0.00 0.00 0.00 46.02 45.93 2uva n GLY 269 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2uva n ARG 270 N -2.14 0.64 -4.01 1.61 3.00 -0.87 -4.21 116.66 110.68 2uva n ARG 270 Ca 0.00 -2.85 -0.22 0.00 -0.01 0.00 0.00 57.85 54.77 2uva n ARG 270 Cb 0.00 -0.21 -0.05 0.00 0.00 0.00 0.00 32.46 32.21 2uva n ARG 270 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.63 176.42 2uva s GLU 271 N -4.38 2.65 0.47 5.56 2.02 -1.26 -4.41 118.70 119.35 2uva s GLU 271 Ca 0.55 -1.30 0.22 0.00 0.02 0.00 0.00 54.97 54.46 2uva s GLU 271 Cb -0.04 -2.40 1.24 0.00 0.10 0.00 0.00 34.13 33.03 2uva s GLU 271 CO 0.35 0.21 1.90 -1.35 0.02 0.00 0.00 175.26 176.39 2uva h PRO 272 N 1.45 0.22 0.00 0.39 0.11 -1.81 0.28 132.00 132.64 2uva h PRO 272 Ca -0.45 -0.01 -0.07 0.00 0.11 0.00 0.00 66.00 65.57 2uva h PRO 272 Cb 1.25 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 2uva h PRO 272 CO 0.60 0.15 -0.36 0.78 -0.21 0.00 0.00 178.00 178.96 2uva h GLY 273 N 0.23 0.00 0.46 -0.55 0.00 -1.43 -2.55 103.07 99.23 2uva h GLY 273 Ca 0.40 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.71 2uva h GLY 273 CO -0.09 0.00 -0.22 0.83 0.00 0.00 0.00 176.54 177.06 2uva h GLU 274 N 0.00 -0.60 0.00 4.80 5.08 -1.20 -2.62 114.58 120.04 2uva h GLU 274 Ca -0.00 0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.36 2uva h GLU 274 Cb 1.07 0.14 -0.01 0.00 0.50 0.00 0.00 28.75 30.45 2uva h GLU 274 CO 0.05 -0.40 -0.19 1.25 -1.00 0.00 0.00 179.01 178.72 2uva h LEU 275 N -0.99 0.00 -1.93 1.33 6.46 -1.69 -1.65 115.31 116.84 2uva h LEU 275 Ca -0.06 0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 57.69 2uva h LEU 275 Cb 0.47 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 40.40 2uva h LEU 275 CO 0.10 0.19 -0.03 0.25 -0.62 0.00 0.00 178.44 178.33 2uva h LEU 276 N 0.00 0.00 0.00 2.25 6.46 -1.47 -2.41 115.31 120.15 2uva h LEU 276 Ca -0.00 -0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.76 2uva h LEU 276 Cb 0.36 -0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.29 2uva h LEU 276 CO 0.02 0.04 -0.69 -0.08 -0.62 0.00 0.00 178.44 177.11 2uva h GLU 277 N 0.00 0.00 -0.76 1.25 4.57 -0.90 -3.31 114.58 115.43 2uva h GLU 277 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 2uva h GLU 277 Cb 0.06 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.65 2uva h GLU 277 CO 0.00 0.00 0.00 0.54 -1.18 0.00 0.00 179.01 178.37 2uva n ARG 278 N -2.22 3.08 -3.40 1.92 5.12 -0.90 -4.87 116.66 115.40 2uva n ARG 278 Ca 0.03 -1.71 -0.20 0.00 -1.93 0.00 0.00 57.85 54.04 2uva n ARG 278 Cb 0.46 -1.89 -0.01 0.00 -1.16 0.00 0.00 32.46 29.85 2uva n ARG 278 CO 0.00 0.00 0.00 1.19 -1.93 0.00 0.00 177.63 176.89 2uva n PHE 279 N 0.36 -0.32 0.00 -1.55 3.72 -1.25 -4.62 117.46 113.80 2uva n PHE 279 Ca 0.15 -1.71 0.00 0.00 -0.05 0.00 0.00 57.45 55.84 2uva n PHE 279 Cb 0.75 -0.30 0.00 0.00 -0.94 0.00 0.00 39.48 38.99 2uva n PHE 279 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 2uva n SER 280 N -1.68 2.55 -3.60 4.37 7.64 -0.63 -4.92 113.62 117.35 2uva n SER 280 Ca -0.06 0.00 -0.04 0.00 1.01 0.00 0.00 58.87 59.78 2uva n SER 280 Cb 0.45 0.35 -0.02 0.00 -1.01 0.00 0.00 64.21 63.99 2uva n SER 280 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2uva s GLY 281 N -1.64 -0.36 -0.18 0.23 0.00 -1.26 -4.41 107.32 99.70 2uva s GLY 281 Ca 0.00 1.02 -0.14 0.00 0.00 0.00 0.00 44.72 45.60 2uva s GLY 281 CO 0.00 0.31 0.47 -1.08 0.00 0.00 0.00 173.10 172.80 2uva s THR 282 N -2.77 -0.01 0.08 0.90 -1.32 -0.49 -0.78 115.64 111.25 2uva s THR 282 Ca 0.09 0.03 -0.05 0.00 -1.21 0.00 0.00 61.69 60.55 2uva s THR 282 Cb 0.00 -0.66 -0.02 0.00 -1.51 0.00 0.00 72.50 70.31 2uva s THR 282 CO -0.05 0.01 0.11 -0.89 -2.21 0.00 0.00 174.62 171.59 2uva s THR 283 N 0.68 0.16 0.16 5.08 2.01 -1.08 -2.15 115.64 120.50 2uva s THR 283 Ca -0.03 -1.49 0.05 0.00 0.31 0.00 0.00 61.69 60.53 2uva s THR 283 Cb -0.05 -1.51 -0.04 0.00 0.01 0.00 0.00 72.50 70.91 2uva s THR 283 CO -0.05 -0.73 -0.11 -0.83 -0.69 0.00 0.00 174.62 172.21 2uva s GLY 284 N -2.91 1.14 -1.02 4.40 0.00 -1.26 -1.55 107.32 106.12 2uva s GLY 284 Ca 0.08 -1.51 -0.18 0.00 0.00 0.00 0.00 44.72 43.12 2uva s GLY 284 CO -0.09 -1.60 1.27 -1.58 0.00 0.00 0.00 173.10 171.11 2uva s HIS 285 N -3.12 3.09 0.00 1.90 2.46 0.24 -4.10 115.29 115.76 2uva s HIS 285 Ca 0.17 -1.47 0.00 0.00 0.47 0.00 0.00 55.06 54.23 2uva s HIS 285 Cb 0.01 -4.38 0.00 0.00 -0.13 0.00 0.00 32.58 28.08 2uva s HIS 285 CO 0.02 -1.56 0.00 0.43 -2.47 0.00 0.00 174.74 171.16 2uva n SER 286 N 6.83 0.00 0.08 9.88 7.64 -1.26 -3.38 113.62 133.42 2uva n SER 286 Ca 0.29 0.00 0.07 0.00 1.01 0.00 0.00 58.87 60.24 2uva n SER 286 Cb 0.48 0.00 0.34 0.00 -1.01 0.00 0.00 64.21 64.02 2uva n SER 286 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 2uva n GLN 287 N 0.00 0.08 -0.03 1.43 7.27 -1.26 -2.35 117.38 122.52 2uva n GLN 287 Ca 0.00 0.52 -0.07 0.00 0.07 0.00 0.00 57.00 57.51 2uva n GLN 287 Cb 0.00 -1.74 -0.14 0.00 2.41 0.00 0.00 30.24 30.77 2uva n GLN 287 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2uva n GLY 288 N -1.04 -1.03 0.29 1.69 0.00 -1.22 -4.16 105.19 99.73 2uva n GLY 288 Ca 0.00 -0.13 0.19 0.00 0.00 0.00 0.00 46.02 46.08 2uva n GLY 288 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2uva h ILE 289 N 0.00 0.00 0.44 -0.61 2.04 -1.62 0.53 117.51 118.29 2uva h ILE 289 Ca -0.33 -0.09 -0.02 0.00 1.00 0.00 0.00 64.86 65.42 2uva h ILE 289 Cb 2.00 0.98 0.00 0.00 -0.74 0.00 0.00 36.82 39.06 2uva h ILE 289 CO 0.06 0.00 -0.21 0.58 0.00 0.00 0.00 178.15 178.58 2uva h VAL 290 N 0.00 0.40 0.00 1.67 2.07 -1.72 -2.75 116.25 115.92 2uva h VAL 290 Ca 0.00 -0.53 -0.01 0.00 0.82 0.00 0.00 66.70 66.98 2uva h VAL 290 Cb 0.10 0.58 -0.00 0.00 -1.52 0.00 0.00 31.29 30.45 2uva h VAL 290 CO 0.00 0.07 -0.04 0.58 0.02 0.00 0.00 177.57 178.20 2uva h VAL 291 N -0.97 0.11 0.04 2.57 2.07 -1.28 -1.47 116.25 117.32 2uva h VAL 291 Ca -0.06 -0.53 -0.22 0.00 0.82 0.00 0.00 66.70 66.70 2uva h VAL 291 Cb 0.57 1.48 -0.01 0.00 -1.52 0.00 0.00 31.29 31.80 2uva h VAL 291 CO 0.10 0.04 -1.02 0.00 0.02 0.00 0.00 177.57 176.70 2uva h ALA 292 N 1.96 0.34 0.09 1.67 0.00 -0.10 -2.21 119.26 121.03 2uva h ALA 292 Ca -0.00 -0.84 -0.00 0.00 0.00 0.00 0.00 54.91 54.06 2uva h ALA 292 Cb 0.47 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.18 2uva h ALA 292 CO 0.00 1.06 -0.05 0.00 0.00 0.00 0.00 179.25 180.27 2uva h ALA 293 N 0.89 -0.13 0.00 0.00 0.00 -1.22 -3.29 119.26 115.51 2uva h ALA 293 Ca -0.05 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.63 2uva h ALA 293 Cb 1.73 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.57 2uva h ALA 293 CO 0.15 -0.16 0.00 0.00 0.00 0.00 0.00 179.25 179.24 2uva h ALA 294 N -0.48 1.00 0.00 0.00 0.00 -1.38 -1.02 119.26 117.38 2uva h ALA 294 Ca -0.01 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 2uva h ALA 294 Cb 0.49 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 2uva h ALA 294 CO 0.02 0.00 -0.56 0.97 0.00 0.00 0.00 179.25 179.68 2uva h ILE 295 N 0.00 0.35 -0.47 0.00 6.09 -1.53 -3.19 117.51 118.76 2uva h ILE 295 Ca 0.00 -1.54 -0.18 0.00 -1.37 0.00 0.00 64.86 61.78 2uva h ILE 295 Cb 0.27 2.04 -0.11 0.00 0.47 0.00 0.00 36.82 39.50 2uva h ILE 295 CO 0.00 0.20 0.22 0.00 -3.07 0.00 0.00 178.15 175.50 2uva n ALA 296 N -2.20 3.87 -0.00 0.18 0.00 -0.39 -3.62 120.51 118.34 2uva n ALA 296 Ca 0.01 -1.41 -0.00 0.00 0.00 0.00 0.00 53.44 52.03 2uva n ALA 296 Cb 0.65 -1.18 -0.01 0.00 0.00 0.00 0.00 19.45 18.91 2uva n ALA 296 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2uva n THR 297 N -0.12 0.04 -3.12 0.00 -1.04 -1.21 -1.30 114.28 107.54 2uva n THR 297 Ca 0.27 -0.03 -0.39 0.00 -2.04 0.00 0.00 64.05 61.86 2uva n THR 297 Cb 1.01 -0.80 -0.06 0.00 -1.82 0.00 0.00 70.33 68.67 2uva n THR 297 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2uva s ALA 298 N -2.02 3.50 0.00 2.41 0.00 -1.24 -4.93 121.76 119.48 2uva s ALA 298 Ca -0.00 0.19 0.00 0.00 0.00 0.00 0.00 51.96 52.15 2uva s ALA 298 Cb 0.00 -2.81 0.00 0.00 0.00 0.00 0.00 23.12 20.31 2uva s ALA 298 CO 0.03 0.30 0.00 0.54 0.00 0.00 0.00 175.76 176.63 2uva n ARG 299 N 1.90 1.19 -2.23 0.00 1.74 -1.26 -3.68 116.66 114.32 2uva n ARG 299 Ca -0.07 0.00 -0.26 0.00 -0.77 0.00 0.00 57.85 56.74 2uva n ARG 299 Cb 0.50 -0.76 0.06 0.00 -1.02 0.00 0.00 32.46 31.23 2uva n ARG 299 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 2uva s THR 300 N -1.52 2.71 -0.63 0.55 2.01 -1.26 -1.80 115.64 115.70 2uva s THR 300 Ca 0.00 -0.14 0.25 0.00 0.31 0.00 0.00 61.69 62.11 2uva s THR 300 Cb 0.00 -3.15 0.31 0.00 0.01 0.00 0.00 72.50 69.66 2uva s THR 300 CO 0.00 -0.16 1.72 -0.50 -0.69 0.00 0.00 174.62 174.99 2uva h TRP 301 N -0.50 0.00 0.09 4.92 4.06 -1.97 -0.18 115.95 122.37 2uva h TRP 301 Ca -0.45 0.00 -0.20 0.00 2.06 0.00 0.00 58.89 60.30 2uva h TRP 301 Cb 1.30 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.46 2uva h TRP 301 CO 0.38 0.00 -0.99 0.22 -3.56 0.00 0.00 178.44 174.49 2uva h ASP 302 N 0.00 0.31 0.55 -3.49 3.58 -1.98 -2.86 116.42 112.52 2uva h ASP 302 Ca 0.00 -0.87 0.00 0.00 0.42 0.00 0.00 57.03 56.58 2uva h ASP 302 Cb 0.83 -0.10 0.00 0.00 1.72 0.00 0.00 39.33 41.78 2uva h ASP 302 CO 0.00 1.44 0.00 -0.08 -2.88 0.00 0.00 179.24 177.72 2uva h GLU 303 N -0.51 0.00 0.00 0.28 4.81 -1.91 -2.50 114.58 114.75 2uva h GLU 303 Ca -0.21 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.02 2uva h GLU 303 Cb 1.56 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.94 2uva h GLU 303 CO 0.05 0.00 -0.01 0.35 -0.73 0.00 0.00 179.01 178.67 2uva h PHE 304 N 0.00 0.00 0.00 0.92 3.57 -1.11 -3.28 116.94 117.04 2uva h PHE 304 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 2uva h PHE 304 Cb 0.27 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.01 2uva h PHE 304 CO 0.00 0.00 0.04 0.00 -2.23 0.00 0.00 178.31 176.12 2uva n ALA 305 N -2.58 0.96 -0.03 2.41 0.00 -1.08 -1.30 120.51 118.89 2uva n ALA 305 Ca -0.00 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.37 2uva n ALA 305 Cb 0.00 -0.92 -0.06 0.00 0.00 0.00 0.00 19.45 18.48 2uva n ALA 305 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 2uva h THR 306 N 0.00 0.70 0.00 0.00 2.02 -1.57 -3.19 112.91 110.88 2uva h THR 306 Ca 0.00 -1.42 0.00 0.00 0.77 0.00 0.00 66.41 65.76 2uva h THR 306 Cb 0.07 1.30 0.00 0.00 -1.74 0.00 0.00 68.15 67.78 2uva h THR 306 CO 0.00 0.23 0.00 0.00 0.37 0.00 0.00 175.52 176.12 2uva h ALA 307 N -0.58 1.00 -0.19 6.16 0.00 -1.31 -2.48 119.26 121.85 2uva h ALA 307 Ca -0.01 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.79 2uva h ALA 307 Cb 0.42 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 2uva h ALA 307 CO 0.01 0.00 -0.32 0.00 0.00 0.00 0.00 179.25 178.95 2uva h ALA 308 N 2.09 0.30 0.00 0.00 0.00 -1.31 0.19 119.26 120.52 2uva h ALA 308 Ca 0.00 -0.41 -0.08 0.00 0.00 0.00 0.00 54.91 54.41 2uva h ALA 308 Cb 0.41 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 2uva h ALA 308 CO 0.00 0.33 -0.39 0.87 0.00 0.00 0.00 179.25 180.06 2uva h LYS 309 N 0.22 0.00 0.29 0.00 6.56 -1.50 -2.33 116.57 119.81 2uva h LYS 309 Ca 0.02 0.00 -0.01 0.00 -1.06 0.00 0.00 60.65 59.59 2uva h LYS 309 Cb 0.90 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.56 2uva h LYS 309 CO 0.07 0.39 -0.14 0.00 -2.06 0.00 0.00 179.45 177.72 2uva h ARG 310 N 0.00 -0.38 0.12 3.15 3.08 -1.06 -2.70 114.38 116.59 2uva h ARG 310 Ca -0.00 0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.07 2uva h ARG 310 Cb 0.73 0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.86 2uva h ARG 310 CO 0.05 -0.05 -0.06 0.00 -1.07 0.00 0.00 179.97 178.85 2uva h ALA 311 N -0.56 -0.16 -0.70 0.04 0.00 -0.70 -1.53 119.26 115.65 2uva h ALA 311 Ca -0.04 -0.05 0.12 0.00 0.00 0.00 0.00 54.91 54.94 2uva h ALA 311 Cb 0.50 0.06 -0.08 0.00 0.00 0.00 0.00 17.79 18.27 2uva h ALA 311 CO 0.07 -0.57 0.29 0.28 0.00 0.00 0.00 179.25 179.31 2uva h VAL 312 N -0.18 0.73 0.00 0.00 2.07 -1.52 0.79 116.25 118.14 2uva h VAL 312 Ca -0.02 -0.16 -0.12 0.00 0.82 0.00 0.00 66.70 67.23 2uva h VAL 312 Cb 0.14 0.23 -0.02 0.00 -1.52 0.00 0.00 31.29 30.12 2uva h VAL 312 CO 0.03 0.08 -0.57 -0.08 0.02 0.00 0.00 177.57 177.06 2uva h GLU 313 N 0.46 0.00 0.03 1.57 4.81 -1.40 -1.78 114.58 118.27 2uva h GLU 313 Ca 0.37 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.60 2uva h GLU 313 Cb 0.49 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.88 2uva h GLU 313 CO -0.35 0.57 -0.02 1.25 -0.73 0.00 0.00 179.01 179.73 2uva h LEU 314 N 0.00 -0.04 -0.34 1.64 5.85 0.12 -2.81 115.31 119.73 2uva h LEU 314 Ca -0.01 -0.26 0.07 0.00 0.84 0.00 0.00 57.88 58.52 2uva h LEU 314 Cb 1.11 0.01 -0.06 0.00 0.37 0.00 0.00 40.66 42.09 2uva h LEU 314 CO 0.07 0.24 -0.07 -0.07 -0.34 0.00 0.00 178.44 178.27 2uva h LEU 315 N -0.32 -0.29 -0.75 2.25 4.07 -0.87 -0.86 115.31 118.54 2uva h LEU 315 Ca -0.00 0.10 0.15 0.00 0.08 0.00 0.00 57.88 58.20 2uva h LEU 315 Cb 0.30 0.20 -0.14 0.00 1.08 0.00 0.00 40.66 42.10 2uva h LEU 315 CO 0.01 -0.10 -0.19 0.15 -1.08 0.00 0.00 178.44 177.22 2uva h PHE 316 N 0.01 -0.42 0.03 1.13 3.57 -1.27 -0.24 116.94 119.75 2uva h PHE 316 Ca 0.16 0.07 -0.23 0.00 3.53 0.00 0.00 57.97 61.50 2uva h PHE 316 Cb 0.24 0.30 -0.00 0.00 2.79 0.00 0.00 35.95 39.29 2uva h PHE 316 CO -0.30 -0.33 -1.00 -1.49 -2.23 0.00 0.00 178.31 172.96 2uva h TRP 317 N -0.01 0.49 0.08 0.41 4.06 -1.17 -1.50 115.95 118.32 2uva h TRP 317 Ca 0.36 -0.29 -0.00 0.00 2.06 0.00 0.00 58.89 61.01 2uva h TRP 317 Cb 0.55 -0.05 0.00 0.00 -1.00 0.00 0.00 29.16 28.66 2uva h TRP 317 CO -0.60 1.13 -0.04 0.82 -3.56 0.00 0.00 178.44 176.19 2uva h ILE 318 N 0.15 0.95 -0.13 1.49 2.04 -0.33 0.24 117.51 121.92 2uva h ILE 318 Ca -0.08 -0.09 -0.01 0.00 1.00 0.00 0.00 64.86 65.68 2uva h ILE 318 Cb 1.66 1.01 -0.01 0.00 -0.74 0.00 0.00 36.82 38.74 2uva h ILE 318 CO 0.16 0.02 0.04 1.23 0.00 0.00 0.00 178.15 179.61 2uva h GLY 319 N -0.15 0.22 0.76 5.37 0.00 -1.11 -1.59 103.07 106.57 2uva h GLY 319 Ca -0.01 -0.13 0.01 0.00 0.00 0.00 0.00 47.33 47.19 2uva h GLY 319 CO 0.02 0.12 -0.16 -2.00 0.00 0.00 0.00 176.54 174.52 2uva h LEU 320 N 0.03 -0.45 -1.15 3.11 5.85 -1.24 -2.21 115.31 119.26 2uva h LEU 320 Ca 0.04 0.05 -0.06 0.00 0.84 0.00 0.00 57.88 58.75 2uva h LEU 320 Cb 0.22 0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.40 2uva h LEU 320 CO -0.00 -0.24 -0.29 0.03 -0.34 0.00 0.00 178.44 177.59 2uva h ARG 321 N -0.34 0.00 -0.31 1.25 2.47 -0.96 -2.49 114.38 114.00 2uva h ARG 321 Ca 0.01 0.00 -0.15 0.00 -1.26 0.00 0.00 59.98 58.58 2uva h ARG 321 Cb 0.34 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.66 2uva h ARG 321 CO -0.07 0.29 -0.39 0.77 0.56 0.00 0.00 179.97 181.13 2uva h SER 322 N 0.00 0.88 0.52 7.04 0.02 -1.10 -2.78 113.55 118.12 2uva h SER 322 Ca -0.00 -0.49 -0.07 0.00 -0.84 0.00 0.00 61.79 60.38 2uva h SER 322 Cb 0.75 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 63.03 2uva h SER 322 CO 0.04 1.20 -0.35 -0.61 -1.14 0.00 0.00 176.83 175.97 2uva h GLN 323 N 0.58 0.00 0.00 3.45 5.75 -1.10 -2.54 115.11 121.25 2uva h GLN 323 Ca 0.04 0.00 -0.12 0.00 -0.15 0.00 0.00 58.65 58.42 2uva h GLN 323 Cb 0.98 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.52 2uva h GLN 323 CO 0.09 0.35 -0.57 1.96 -2.65 0.00 0.00 178.83 178.01 2uva h GLN 324 N 0.00 0.00 0.12 1.69 4.20 -1.34 -2.67 115.11 117.11 2uva h GLN 324 Ca -0.00 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 2uva h GLN 324 Cb 0.70 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.48 2uva h GLN 324 CO 0.05 0.57 -0.06 0.00 -0.67 0.00 0.00 178.83 178.72 2uva h ALA 325 N 1.43 -0.16 -3.13 3.87 0.00 -1.18 -3.41 119.26 116.68 2uva h ALA 325 Ca -0.01 -0.23 -0.62 0.00 0.00 0.00 0.00 54.91 54.06 2uva h ALA 325 Cb 1.09 0.06 -0.41 0.00 0.00 0.00 0.00 17.79 18.54 2uva h ALA 325 CO 0.07 -0.20 -0.67 -0.47 0.00 0.00 0.00 179.25 177.98 2uva s TYR 326 N -2.85 2.78 0.77 0.00 5.04 -1.07 -5.04 117.35 116.99 2uva s TYR 326 Ca -0.11 -2.94 -0.12 0.00 -2.44 0.00 0.00 57.07 51.47 2uva s TYR 326 Cb -0.00 -2.40 0.06 0.00 0.35 0.00 0.00 41.96 39.97 2uva s TYR 326 CO 0.41 -0.71 1.10 -2.14 -1.34 0.00 0.00 175.55 172.87 2uva s PRO 327 N -0.35 2.29 -0.15 4.97 0.02 -1.00 -4.71 135.00 136.06 2uva s PRO 327 Ca 0.20 0.55 -0.29 0.00 0.02 0.00 0.00 61.00 61.47 2uva s PRO 327 Cb -0.19 -1.95 -0.03 0.00 0.02 0.00 0.00 34.50 32.35 2uva s PRO 327 CO -0.05 -1.46 1.53 1.03 -0.33 0.00 0.00 177.00 177.73 2uva s ARG 328 N -5.24 4.04 -0.30 5.54 1.81 -1.26 -5.00 118.95 118.53 2uva s ARG 328 Ca 0.60 1.82 -0.07 0.00 -1.72 0.00 0.00 55.73 56.37 2uva s ARG 328 Cb -0.13 -3.95 0.02 0.00 -0.45 0.00 0.00 34.95 30.44 2uva s ARG 328 CO 0.53 -0.99 0.08 0.95 -0.68 0.00 0.00 175.30 175.19 2uva s THR 329 N 4.36 3.91 0.33 0.02 -4.23 -1.26 -5.09 115.64 113.68 2uva s THR 329 Ca 0.67 -0.78 -0.27 0.00 -1.18 0.00 0.00 61.69 60.13 2uva s THR 329 Cb -0.27 -3.05 -0.13 0.00 1.34 0.00 0.00 72.50 70.39 2uva s THR 329 CO 0.26 0.03 1.12 -1.54 -0.54 0.00 0.00 174.62 173.95 2uva n SER 330 N 4.85 1.87 -4.96 3.99 3.41 -1.26 -5.01 113.62 116.52 2uva n SER 330 Ca -0.14 1.17 -0.22 0.00 -0.26 0.00 0.00 58.87 59.42 2uva n SER 330 Cb 0.47 -1.37 0.02 0.00 -0.26 0.00 0.00 64.21 63.07 2uva n SER 330 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2uva s LEU 331 N -0.26 3.00 0.38 1.04 1.43 -1.26 -5.07 118.68 117.93 2uva s LEU 331 Ca 0.58 -0.98 -0.27 0.00 -1.03 0.00 0.00 54.13 52.42 2uva s LEU 331 Cb -0.63 -1.55 -0.10 0.00 0.03 0.00 0.00 46.19 43.94 2uva s LEU 331 CO 0.60 -1.13 1.41 0.00 0.23 0.00 0.00 176.35 177.46 2uva s ALA 332 N -2.67 3.46 0.40 4.21 0.00 -1.26 -4.88 121.76 121.01 2uva s ALA 332 Ca 0.48 1.43 0.10 0.00 0.00 0.00 0.00 51.96 53.97 2uva s ALA 332 Cb -0.04 -3.56 0.83 0.00 0.00 0.00 0.00 23.12 20.35 2uva s ALA 332 CO 0.30 -0.94 1.95 -1.35 0.00 0.00 0.00 175.76 175.71 2uva h PRO 333 N 2.94 0.23 0.34 0.00 0.11 -1.98 0.33 132.00 133.97 2uva h PRO 333 Ca -0.50 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 65.55 2uva h PRO 333 Cb 1.24 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2uva h PRO 333 CO 0.64 0.34 -0.16 0.66 -0.21 0.00 0.00 178.00 179.26 2uva h SER 334 N 0.22 -0.39 -0.11 -2.05 4.64 -2.00 -1.61 113.55 112.26 2uva h SER 334 Ca 0.05 0.01 0.03 0.00 -0.47 0.00 0.00 61.79 61.41 2uva h SER 334 Cb 0.31 0.10 -0.00 0.00 -0.31 0.00 0.00 62.40 62.50 2uva h SER 334 CO 0.02 -0.24 0.17 0.71 -0.87 0.00 0.00 176.83 176.62 2uva h THR 335 N -0.54 0.34 0.40 2.95 1.35 -1.93 -1.13 112.91 114.37 2uva h THR 335 Ca -0.05 0.00 -0.02 0.00 -0.55 0.00 0.00 66.41 65.79 2uva h THR 335 Cb 0.35 0.86 0.00 0.00 -1.73 0.00 0.00 68.15 67.63 2uva h THR 335 CO 0.08 0.00 -0.19 0.25 -0.25 0.00 0.00 175.52 175.40 2uva h LEU 336 N 0.00 -0.46 -1.45 3.87 6.46 -0.89 -3.13 115.31 119.71 2uva h LEU 336 Ca 0.05 0.02 0.10 0.00 -0.12 0.00 0.00 57.88 57.93 2uva h LEU 336 Cb 0.39 0.12 -0.05 0.00 -0.73 0.00 0.00 40.66 40.39 2uva h LEU 336 CO -0.00 -0.24 0.48 1.56 -0.62 0.00 0.00 178.44 179.62 2uva h GLN 337 N -0.73 0.59 0.02 1.25 4.20 -0.63 -2.09 115.11 117.73 2uva h GLN 337 Ca -0.06 -0.04 0.02 0.00 0.06 0.00 0.00 58.65 58.63 2uva h GLN 337 Cb 0.42 -0.13 -0.04 0.00 0.30 0.00 0.00 27.48 28.02 2uva h GLN 337 CO 0.09 0.39 -0.43 0.22 -0.67 0.00 0.00 178.83 178.43 2uva h ASP 338 N 0.61 -1.32 -0.77 1.46 -0.00 -1.31 -1.21 116.42 113.89 2uva h ASP 338 Ca 0.34 0.15 0.18 0.00 -0.00 0.00 0.00 57.03 57.69 2uva h ASP 338 Cb 0.50 0.50 -0.13 0.00 -0.00 0.00 0.00 39.33 40.20 2uva h ASP 338 CO -0.12 -0.43 0.04 0.28 -0.00 0.00 0.00 179.24 179.02 2uva h SER 339 N -0.55 -0.28 -0.65 2.28 0.02 -1.32 -0.88 113.55 112.16 2uva h SER 339 Ca 0.01 0.19 -0.04 0.00 -0.84 0.00 0.00 61.79 61.11 2uva h SER 339 Cb 0.59 0.32 -0.03 0.00 0.14 0.00 0.00 62.40 63.42 2uva h SER 339 CO -0.28 -0.16 0.24 0.58 -1.14 0.00 0.00 176.83 176.07 2uva h VAL 340 N 0.13 1.24 0.00 2.27 2.07 -1.15 -2.59 116.25 118.22 2uva h VAL 340 Ca 0.43 -0.77 -0.09 0.00 0.82 0.00 0.00 66.70 67.08 2uva h VAL 340 Cb 0.76 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 31.05 2uva h VAL 340 CO -0.65 0.30 -0.42 -0.33 0.02 0.00 0.00 177.57 176.49 2uva h GLU 341 N 0.92 0.00 -0.81 1.57 5.08 -0.31 -3.29 114.58 117.74 2uva h GLU 341 Ca 0.21 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.57 2uva h GLU 341 Cb 0.23 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.48 2uva h GLU 341 CO -0.01 0.42 0.01 0.09 -1.00 0.00 0.00 179.01 178.52 2uva n ASN 342 N -3.24 3.28 0.00 1.42 5.03 -0.42 -4.87 115.26 116.45 2uva n ASN 342 Ca 0.02 -2.46 0.00 0.00 0.87 0.00 0.00 54.58 53.01 2uva n ASN 342 Cb 0.68 -0.59 0.00 0.00 -1.02 0.00 0.00 39.78 38.85 2uva n ASN 342 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2uva n GLY 343 N 0.28 3.26 0.00 7.41 0.00 -1.24 -5.04 105.19 109.87 2uva n GLY 343 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 2uva n GLY 343 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2uva n GLU 344 N -1.21 2.71 -1.78 1.61 1.02 -1.00 -4.94 120.64 117.05 2uva n GLU 344 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 2uva n GLU 344 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 2uva n GLU 344 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2uva n GLY 345 N 5.00 4.14 3.65 0.62 0.00 -1.25 -4.52 105.19 112.83 2uva n GLY 345 Ca 0.00 -1.63 -0.42 0.00 0.00 0.00 0.00 46.02 43.97 2uva n GLY 345 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2uva s THR 346 N -1.90 3.16 0.05 2.61 2.01 -1.26 -4.31 115.64 116.00 2uva s THR 346 Ca 0.00 0.19 -0.32 0.00 0.31 0.00 0.00 61.69 61.87 2uva s THR 346 Cb 0.00 -3.13 -0.11 0.00 0.01 0.00 0.00 72.50 69.26 2uva s THR 346 CO 0.00 -0.03 1.83 -2.65 -0.69 0.00 0.00 174.62 173.08 2uva n PRO 347 N 7.55 2.49 -3.10 4.92 -0.02 -1.26 -4.83 135.00 140.75 2uva n PRO 347 Ca 0.20 0.91 -0.13 0.00 -2.02 0.00 0.00 63.50 62.46 2uva n PRO 347 Cb 0.42 -2.78 -0.03 0.00 -0.02 0.00 0.00 33.50 31.09 2uva n PRO 347 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 2uva n THR 348 N 4.76 0.00 1.20 3.45 -2.24 -1.26 -4.94 114.28 115.25 2uva n THR 348 Ca 0.20 -1.02 0.07 0.00 -2.27 0.00 0.00 64.05 61.02 2uva n THR 348 Cb 0.34 0.26 0.24 0.00 -2.10 0.00 0.00 70.33 69.07 2uva n THR 348 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 2uva n PRO 349 N -0.49 1.64 -3.97 -0.78 -0.02 -1.26 -4.11 135.00 126.01 2uva n PRO 349 Ca -0.07 -0.98 -0.31 0.00 -2.02 0.00 0.00 63.50 60.13 2uva n PRO 349 Cb 0.27 -1.29 -0.16 0.00 -0.02 0.00 0.00 33.50 32.31 2uva n PRO 349 CO 0.00 0.00 0.00 -1.64 1.98 0.00 0.00 175.50 175.84 2uva s MET 350 N -1.70 1.80 -0.14 -0.52 -1.94 -1.26 -3.52 119.30 112.01 2uva s MET 350 Ca 0.24 -0.98 0.00 0.00 -1.71 0.00 0.00 55.69 53.24 2uva s MET 350 Cb 0.13 -2.57 -0.01 0.00 2.01 0.00 0.00 34.83 34.39 2uva s MET 350 CO 0.18 -0.55 -0.14 -1.17 -0.01 0.00 0.00 175.02 173.33 2uva s LEU 351 N 1.37 2.62 0.11 -0.03 2.96 -0.04 -1.28 118.68 124.38 2uva s LEU 351 Ca -0.05 -0.39 -0.15 0.00 -0.22 0.00 0.00 54.13 53.32 2uva s LEU 351 Cb -0.18 -1.59 -0.07 0.00 0.50 0.00 0.00 46.19 44.85 2uva s LEU 351 CO -0.07 0.13 0.52 -0.55 -1.32 0.00 0.00 176.35 175.07 2uva s SER 352 N 0.54 6.86 -0.40 3.68 0.15 0.23 0.20 113.70 124.96 2uva s SER 352 Ca -0.09 1.08 0.03 0.00 0.70 0.00 0.00 55.95 57.67 2uva s SER 352 Cb -0.16 -2.29 0.17 0.00 -1.71 0.00 0.00 66.02 62.03 2uva s SER 352 CO 0.04 0.17 0.33 -0.63 1.20 0.00 0.00 173.24 174.35 2uva s ILE 353 N -1.34 0.25 0.76 6.45 1.01 -0.98 -1.80 121.20 125.55 2uva s ILE 353 Ca 0.34 -2.42 -0.12 0.00 0.00 0.00 0.00 60.65 58.45 2uva s ILE 353 Cb -0.16 -1.18 0.05 0.00 0.01 0.00 0.00 42.46 41.18 2uva s ILE 353 CO 0.18 -1.15 1.12 -0.13 0.00 0.00 0.00 174.94 174.96 2uva s ARG 354 N 0.27 2.36 0.00 2.79 0.52 -0.72 -3.10 118.95 121.07 2uva s ARG 354 Ca 0.30 0.43 0.00 0.00 -0.52 0.00 0.00 55.73 55.94 2uva s ARG 354 Cb -0.01 -1.97 0.00 0.00 0.52 0.00 0.00 34.95 33.49 2uva s ARG 354 CO -0.16 -1.38 0.00 -0.25 0.02 0.00 0.00 175.30 173.53 2uva n ASP 355 N -3.23 -5.05 -4.84 0.23 8.00 0.54 -3.53 116.55 108.67 2uva n ASP 355 Ca 0.07 0.00 -0.21 0.00 0.71 0.00 0.00 54.79 55.36 2uva n ASP 355 Cb 0.58 -3.22 -0.04 0.00 -0.02 0.00 0.00 41.12 38.42 2uva n ASP 355 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2uva s LEU 356 N 0.00 3.59 0.20 0.64 1.43 -1.20 -4.81 118.68 118.53 2uva s LEU 356 Ca 0.00 -0.49 -0.08 0.00 -1.03 0.00 0.00 54.13 52.53 2uva s LEU 356 Cb 0.00 -2.18 -0.07 0.00 0.03 0.00 0.00 46.19 43.97 2uva s LEU 356 CO 0.00 -0.31 0.48 -0.89 0.23 0.00 0.00 176.35 175.87 2uva s THR 357 N -2.29 5.03 0.18 5.49 2.01 -1.26 -4.11 115.64 120.68 2uva s THR 357 Ca 0.40 0.29 -0.13 0.00 0.31 0.00 0.00 61.69 62.55 2uva s THR 357 Cb -0.06 -3.62 0.08 0.00 0.01 0.00 0.00 72.50 68.91 2uva s THR 357 CO 0.26 -0.04 1.80 -0.09 -0.69 0.00 0.00 174.62 175.86 2uva h ARG 358 N 2.62 0.54 -0.43 4.92 2.43 -1.97 0.24 114.38 122.73 2uva h ARG 358 Ca -0.47 -0.03 0.06 0.00 -0.81 0.00 0.00 59.98 58.73 2uva h ARG 358 Cb 1.17 -0.12 -0.05 0.00 -0.42 0.00 0.00 29.97 30.55 2uva h ARG 358 CO 0.70 0.36 0.13 0.66 -1.51 0.00 0.00 179.97 180.31 2uva h SER 359 N 0.55 0.11 0.51 -3.80 4.64 -1.95 0.11 113.55 113.72 2uva h SER 359 Ca 0.23 0.06 -0.03 0.00 -0.47 0.00 0.00 61.79 61.58 2uva h SER 359 Cb 0.11 0.06 0.01 0.00 -0.31 0.00 0.00 62.40 62.26 2uva h SER 359 CO -0.14 0.09 -0.25 0.00 -0.87 0.00 0.00 176.83 175.67 2uva h ALA 360 N 1.29 -0.69 -1.00 5.18 0.00 -1.86 -2.23 119.26 119.97 2uva h ALA 360 Ca 0.20 -0.19 0.22 0.00 0.00 0.00 0.00 54.91 55.14 2uva h ALA 360 Cb 0.21 0.27 -0.10 0.00 0.00 0.00 0.00 17.79 18.17 2uva h ALA 360 CO -0.23 -0.76 0.63 0.28 0.00 0.00 0.00 179.25 179.17 2uva h VAL 361 N -0.95 0.62 0.06 0.00 2.07 -0.29 -0.82 116.25 116.95 2uva h VAL 361 Ca -0.07 -0.19 -0.00 0.00 0.82 0.00 0.00 66.70 67.25 2uva h VAL 361 Cb 0.61 0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.39 2uva h VAL 361 CO 0.12 0.10 -0.03 -0.61 0.02 0.00 0.00 177.57 177.17 2uva h GLN 362 N 0.56 -0.08 -0.96 1.57 5.75 -0.72 -2.35 115.11 118.88 2uva h GLN 362 Ca 0.57 0.01 0.16 0.00 -0.15 0.00 0.00 58.65 59.24 2uva h GLN 362 Cb 1.18 0.02 -0.09 0.00 1.07 0.00 0.00 27.48 29.66 2uva h GLN 362 CO -0.33 0.29 0.61 1.49 -2.65 0.00 0.00 178.83 178.24 2uva h GLU 363 N -0.45 0.76 -0.06 1.69 4.81 -0.52 0.59 114.58 121.40 2uva h GLU 363 Ca -0.01 -0.05 -0.19 0.00 -0.13 0.00 0.00 59.36 58.98 2uva h GLU 363 Cb 0.40 -0.17 -0.00 0.00 0.63 0.00 0.00 28.75 29.61 2uva h GLU 363 CO 0.01 0.50 -0.78 0.45 -0.73 0.00 0.00 179.01 178.47 2uva h HIS 364 N 0.78 0.54 0.00 0.92 3.86 -1.50 -1.63 115.15 118.13 2uva h HIS 364 Ca 0.51 -0.25 -0.04 0.00 -1.16 0.00 0.00 60.37 59.42 2uva h HIS 364 Cb 0.76 -0.08 -0.01 0.00 1.06 0.00 0.00 27.41 29.14 2uva h HIS 364 CO -0.00 1.02 -0.20 0.82 0.86 0.00 0.00 177.93 180.43 2uva h ILE 365 N 0.26 1.06 -0.00 2.45 2.04 -0.10 -1.95 117.51 121.27 2uva h ILE 365 Ca -0.04 -0.71 -0.00 0.00 1.00 0.00 0.00 64.86 65.11 2uva h ILE 365 Cb 1.37 1.39 0.00 0.00 -0.74 0.00 0.00 36.82 38.84 2uva h ILE 365 CO 0.13 0.20 -0.01 0.44 0.00 0.00 0.00 178.15 178.90 2uva h ASP 366 N 0.00 0.02 -0.84 1.72 3.32 0.37 -2.15 116.42 118.85 2uva h ASP 366 Ca -0.00 -0.66 -0.01 0.00 0.02 0.00 0.00 57.03 56.37 2uva h ASP 366 Cb 0.37 -0.01 -0.04 0.00 0.22 0.00 0.00 39.33 39.88 2uva h ASP 366 CO 0.03 0.68 0.47 0.00 -1.72 0.00 0.00 179.24 178.70 2uva h ALA 367 N 0.34 1.07 0.27 3.45 0.00 -1.24 -0.91 119.26 122.24 2uva h ALA 367 Ca -0.00 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 2uva h ALA 367 Cb 0.68 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.13 2uva h ALA 367 CO 0.00 0.57 -0.13 1.15 0.00 0.00 0.00 179.25 180.84 2uva h THR 368 N 1.16 0.74 0.00 0.00 2.02 -1.41 -2.57 112.91 112.85 2uva h THR 368 Ca 0.30 -0.03 -0.01 0.00 0.77 0.00 0.00 66.41 67.45 2uva h THR 368 Cb 0.01 0.76 -0.00 0.00 -1.74 0.00 0.00 68.15 67.18 2uva h THR 368 CO -0.05 0.01 -0.03 0.78 0.37 0.00 0.00 175.52 176.60 2uva h ASN 369 N -0.37 0.00 -0.19 4.18 2.35 -1.13 -3.01 115.58 117.40 2uva h ASN 369 Ca -0.04 0.00 0.04 0.00 -0.55 0.00 0.00 56.30 55.75 2uva h ASN 369 Cb 0.28 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.62 2uva h ASN 369 CO 0.06 0.03 -0.03 -0.61 -1.65 0.00 0.00 177.43 175.23 2uva h GLN 370 N 0.00 0.02 -0.01 0.81 5.75 -0.74 -2.68 115.11 118.27 2uva h GLN 370 Ca -0.00 -0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 2uva h GLN 370 Cb 0.10 -0.01 0.00 0.00 1.07 0.00 0.00 27.48 28.64 2uva h GLN 370 CO 0.00 0.02 -0.05 0.72 -2.65 0.00 0.00 178.83 176.86 2uva n HIS 371 N -5.17 0.00 -3.67 3.99 8.25 -1.14 -4.90 115.22 112.58 2uva n HIS 371 Ca -0.03 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.15 2uva n HIS 371 Cb 0.11 -0.05 -0.04 0.00 1.12 0.00 0.00 29.99 31.14 2uva n HIS 371 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2uva s LEU 372 N -2.16 4.23 0.41 2.41 1.43 -1.01 -5.09 118.68 118.89 2uva s LEU 372 Ca 0.37 0.46 -0.24 0.00 -1.03 0.00 0.00 54.13 53.69 2uva s LEU 372 Cb 0.21 -3.22 -0.08 0.00 0.03 0.00 0.00 46.19 43.12 2uva s LEU 372 CO 0.39 -0.03 1.12 -2.84 0.23 0.00 0.00 176.35 175.22 2uva s PRO 373 N -3.16 4.07 0.65 1.29 0.02 -1.26 -4.93 135.00 131.68 2uva s PRO 373 Ca 0.39 1.69 0.37 0.00 0.02 0.00 0.00 61.00 63.47 2uva s PRO 373 Cb -0.11 -2.60 2.02 0.00 0.02 0.00 0.00 34.50 33.83 2uva s PRO 373 CO 0.28 -0.27 2.18 0.93 -0.33 0.00 0.00 177.00 179.79 2uva h GLU 374 N 2.52 0.00 -0.54 5.54 5.08 -1.98 -1.29 114.58 123.91 2uva h GLU 374 Ca -0.49 0.00 0.07 0.00 -1.00 0.00 0.00 59.36 57.95 2uva h GLU 374 Cb 1.23 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.42 2uva h GLU 374 CO 0.62 0.00 0.21 -0.44 -1.00 0.00 0.00 179.01 178.40 2uva h ASP 375 N 0.00 0.22 -2.25 1.42 5.19 -2.02 -3.27 116.42 115.72 2uva h ASP 375 Ca 0.02 0.06 -0.59 0.00 -0.62 0.00 0.00 57.03 55.90 2uva h ASP 375 Cb 0.30 0.04 -0.42 0.00 0.18 0.00 0.00 39.33 39.43 2uva h ASP 375 CO -0.00 0.15 -0.67 0.54 -3.12 0.00 0.00 179.24 176.14 2uva n ARG 376 N -4.98 2.94 -1.73 3.56 1.74 -0.49 -4.97 116.66 112.73 2uva n ARG 376 Ca 0.06 -4.72 -0.19 0.00 -0.77 0.00 0.00 57.85 52.23 2uva n ARG 376 Cb 0.21 -2.20 0.11 0.00 -1.02 0.00 0.00 32.46 29.57 2uva n ARG 376 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 2uva n HIS 377 N 0.03 -3.47 -5.26 -1.55 8.25 -1.24 -4.74 115.22 107.25 2uva n HIS 377 Ca 0.30 -1.08 -0.31 0.00 -0.26 0.00 0.00 57.72 56.37 2uva n HIS 377 Cb 0.41 -0.62 -0.16 0.00 1.12 0.00 0.00 29.99 30.75 2uva n HIS 377 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 2uva s ILE 378 N -2.56 2.03 0.26 1.59 1.01 -1.26 -4.35 121.20 117.93 2uva s ILE 378 Ca 0.50 -1.12 0.08 0.00 0.00 0.00 0.00 60.65 60.11 2uva s ILE 378 Cb -0.02 -1.69 -0.05 0.00 0.01 0.00 0.00 42.46 40.70 2uva s ILE 378 CO 0.34 0.56 -0.10 -0.83 0.00 0.00 0.00 174.94 174.92 2uva s GLY 379 N -0.65 1.75 -0.39 6.18 0.00 0.51 -4.96 107.32 109.76 2uva s GLY 379 Ca 0.10 -1.85 -0.18 0.00 0.00 0.00 0.00 44.72 42.80 2uva s GLY 379 CO -0.01 -1.84 0.47 -0.42 0.00 0.00 0.00 173.10 171.30 2uva s ILE 380 N -2.94 5.05 -0.10 0.90 1.01 -1.26 -0.84 121.20 123.02 2uva s ILE 380 Ca 0.28 -0.04 0.10 0.00 0.00 0.00 0.00 60.65 60.99 2uva s ILE 380 Cb 0.02 -4.00 -0.24 0.00 0.01 0.00 0.00 42.46 38.25 2uva s ILE 380 CO 0.11 -0.33 0.43 -1.54 0.00 0.00 0.00 174.94 173.61 2uva n SER 381 N 5.68 0.95 -4.19 3.58 3.41 -0.42 -4.82 113.62 117.82 2uva n SER 381 Ca -0.06 0.26 -0.11 0.00 -0.26 0.00 0.00 58.87 58.69 2uva n SER 381 Cb 0.48 0.02 -0.10 0.00 -0.26 0.00 0.00 64.21 64.35 2uva n SER 381 CO 0.00 0.00 0.00 -1.48 -0.16 0.00 0.00 175.04 173.40 2uva s LEU 382 N -6.14 1.58 -0.41 1.04 2.34 -1.19 -1.86 118.68 114.04 2uva s LEU 382 Ca -0.11 -1.28 0.04 0.00 0.06 0.00 0.00 54.13 52.84 2uva s LEU 382 Cb 0.07 0.28 0.17 0.00 -0.56 0.00 0.00 46.19 46.15 2uva s LEU 382 CO 0.80 -0.75 0.36 -0.69 -1.06 0.00 0.00 176.35 175.01 2uva s VAL 383 N -4.03 0.25 -0.71 1.48 1.01 -0.80 -2.75 120.40 114.84 2uva s VAL 383 Ca 0.30 -2.53 0.23 0.00 0.00 0.00 0.00 61.98 59.98 2uva s VAL 383 Cb 0.07 -1.18 0.23 0.00 0.00 0.00 0.00 36.38 35.51 2uva s VAL 383 CO 0.06 -1.16 1.70 0.59 0.00 0.00 0.00 175.10 176.29 2uva n ASN 384 N 2.88 0.48 -1.02 3.32 3.02 -0.87 -3.17 115.26 119.90 2uva n ASN 384 Ca 0.29 0.59 -0.00 0.00 -0.03 0.00 0.00 54.58 55.43 2uva n ASN 384 Cb 0.48 -0.70 0.00 0.00 -0.61 0.00 0.00 39.78 38.95 2uva n ASN 384 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 2uva n SER 385 N -2.00 -0.02 0.14 6.41 3.41 -1.15 -4.56 113.62 115.85 2uva n SER 385 Ca 0.04 -1.01 0.00 0.00 -0.26 0.00 0.00 58.87 57.64 2uva n SER 385 Cb 0.28 0.02 0.28 0.00 -0.26 0.00 0.00 64.21 64.53 2uva n SER 385 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2uva h ALA 386 N 2.00 1.23 0.00 7.33 0.00 -1.94 -3.26 119.26 124.61 2uva h ALA 386 Ca -0.00 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.50 2uva h ALA 386 Cb 0.01 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 2uva h ALA 386 CO 0.00 0.55 -0.30 0.54 0.00 0.00 0.00 179.25 180.05 2uva n ARG 387 N -4.04 1.06 -3.78 0.00 1.74 -1.26 -4.13 116.66 106.24 2uva n ARG 387 Ca -0.02 -2.49 -0.23 0.00 -0.77 0.00 0.00 57.85 54.34 2uva n ARG 387 Cb 0.45 -1.26 -0.17 0.00 -1.02 0.00 0.00 32.46 30.46 2uva n ARG 387 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 2uva s ASN 388 N -2.62 1.69 0.29 0.55 3.04 -1.23 -0.34 114.94 116.32 2uva s ASN 388 Ca 0.29 -0.13 0.02 0.00 0.04 0.00 0.00 52.86 53.08 2uva s ASN 388 Cb 0.27 -0.49 -0.05 0.00 -1.54 0.00 0.00 41.25 39.44 2uva s ASN 388 CO -0.02 -0.19 0.09 -0.36 -3.04 0.00 0.00 177.10 173.58 2uva s PHE 389 N 1.94 1.68 0.01 0.43 0.40 -1.18 -2.06 117.98 119.21 2uva s PHE 389 Ca 0.05 -1.14 0.01 0.00 -0.60 0.00 0.00 56.93 55.25 2uva s PHE 389 Cb -0.12 -1.02 -0.01 0.00 0.51 0.00 0.00 43.02 42.37 2uva s PHE 389 CO -0.06 -0.25 -0.03 0.08 0.70 0.00 0.00 175.22 175.66 2uva s VAL 390 N -3.58 0.22 0.02 -0.44 1.01 -1.11 -2.31 120.40 114.21 2uva s VAL 390 Ca 0.37 -0.42 0.07 0.00 0.00 0.00 0.00 61.98 61.99 2uva s VAL 390 Cb 0.08 -0.25 -0.02 0.00 0.00 0.00 0.00 36.38 36.18 2uva s VAL 390 CO 0.15 -0.13 -0.20 -0.69 0.00 0.00 0.00 175.10 174.23 2uva s VAL 391 N -0.56 1.56 0.39 2.92 1.01 0.13 -1.31 120.40 124.55 2uva s VAL 391 Ca -0.04 -1.04 0.04 0.00 0.00 0.00 0.00 61.98 60.93 2uva s VAL 391 Cb -0.04 -1.34 -0.05 0.00 0.00 0.00 0.00 36.38 34.95 2uva s VAL 391 CO -0.00 0.27 0.06 0.42 0.00 0.00 0.00 175.10 175.85 2uva s THR 392 N -0.68 1.18 0.00 3.92 -4.23 -0.02 -0.86 115.64 114.96 2uva s THR 392 Ca 0.07 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.58 2uva s THR 392 Cb -0.08 -2.61 0.00 0.00 1.34 0.00 0.00 72.50 71.15 2uva s THR 392 CO 0.01 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.70 2uva n GLY 393 N -0.89 2.31 3.74 3.99 0.00 -1.23 -0.36 105.19 112.75 2uva n GLY 393 Ca -0.07 -1.89 -0.38 0.00 0.00 0.00 0.00 46.02 43.68 2uva n GLY 393 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2uva n PRO 394 N -1.80 1.51 -0.18 1.61 -0.02 -1.26 -4.48 135.00 130.38 2uva n PRO 394 Ca 0.00 0.57 -0.01 0.00 -2.02 0.00 0.00 63.50 62.04 2uva n PRO 394 Cb 0.00 -2.57 0.09 0.00 -0.02 0.00 0.00 33.50 31.00 2uva n PRO 394 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 2uva h PRO 395 N 1.14 0.29 0.00 0.52 0.11 -1.92 -0.52 132.00 131.63 2uva h PRO 395 Ca -0.51 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.57 2uva h PRO 395 Cb 1.32 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 32.36 2uva h PRO 395 CO 0.56 0.19 -0.07 0.82 -0.21 0.00 0.00 178.00 179.29 2uva h ILE 396 N 0.30 0.89 0.12 4.15 5.03 -1.90 -0.51 117.51 125.58 2uva h ILE 396 Ca 0.29 -0.24 -0.28 0.00 -0.12 0.00 0.00 64.86 64.51 2uva h ILE 396 Cb 0.38 1.14 0.01 0.00 -3.03 0.00 0.00 36.82 35.32 2uva h ILE 396 CO -0.34 0.07 -1.21 -1.28 -0.68 0.00 0.00 178.15 174.71 2uva h SER 397 N 0.00 0.61 -0.55 1.72 0.87 -1.52 -3.07 113.55 111.61 2uva h SER 397 Ca -0.00 -0.59 -0.11 0.00 -1.23 0.00 0.00 61.79 59.86 2uva h SER 397 Cb 0.13 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 61.88 2uva h SER 397 CO 0.01 1.43 -0.07 -0.07 -0.53 0.00 0.00 176.83 177.60 2uva h LEU 398 N 0.17 1.02 -0.50 2.23 3.38 -0.12 -2.86 115.31 118.63 2uva h LEU 398 Ca -0.15 -0.32 0.07 0.00 0.09 0.00 0.00 57.88 57.57 2uva h LEU 398 Cb 1.90 -0.28 -0.06 0.00 0.09 0.00 0.00 40.66 42.31 2uva h LEU 398 CO 0.21 1.11 0.16 0.22 0.09 0.00 0.00 178.44 180.23 2uva h TYR 399 N 0.93 0.27 -0.01 1.13 3.20 -1.19 -0.88 116.97 120.42 2uva h TYR 399 Ca 0.15 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.05 2uva h TYR 399 Cb 0.63 -0.05 -0.00 0.00 1.54 0.00 0.00 36.73 38.85 2uva h TYR 399 CO 0.04 0.07 0.14 0.78 -1.64 0.00 0.00 178.16 177.56 2uva h GLY 400 N 0.32 0.00 0.08 1.82 0.00 -1.40 -0.25 103.07 103.64 2uva h GLY 400 Ca 0.24 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.57 2uva h GLY 400 CO -0.26 0.00 -0.01 -2.00 0.00 0.00 0.00 176.54 174.27 2uva h LEU 401 N 0.00 -0.02 -1.16 3.11 6.46 -1.14 -3.29 115.31 119.27 2uva h LEU 401 Ca 0.00 -0.73 0.19 0.00 -0.12 0.00 0.00 57.88 57.22 2uva h LEU 401 Cb 0.28 0.01 -0.09 0.00 -0.73 0.00 0.00 40.66 40.13 2uva h LEU 401 CO -0.00 0.81 0.61 0.78 -0.62 0.00 0.00 178.44 180.02 2uva h ASN 402 N -0.94 0.69 0.31 1.25 2.35 -0.70 0.62 115.58 119.16 2uva h ASN 402 Ca -0.00 0.08 -0.01 0.00 -0.55 0.00 0.00 56.30 55.81 2uva h ASN 402 Cb 0.74 -0.05 -0.00 0.00 0.05 0.00 0.00 38.32 39.06 2uva h ASN 402 CO 0.00 0.27 -0.17 -0.07 -1.65 0.00 0.00 177.43 175.81 2uva h LEU 403 N 0.68 -0.42 -1.49 1.61 3.38 -1.54 -0.73 115.31 116.82 2uva h LEU 403 Ca 0.54 0.02 0.12 0.00 0.09 0.00 0.00 57.88 58.65 2uva h LEU 403 Cb 0.94 0.12 -0.05 0.00 0.09 0.00 0.00 40.66 41.76 2uva h LEU 403 CO -0.31 -0.28 0.49 -0.09 0.09 0.00 0.00 178.44 178.34 2uva h ARG 404 N -0.46 0.53 -0.17 1.13 2.43 -1.23 -3.12 114.38 113.50 2uva h ARG 404 Ca -0.04 -0.03 -0.18 0.00 -0.81 0.00 0.00 59.98 58.92 2uva h ARG 404 Cb 0.36 -0.12 0.01 0.00 -0.42 0.00 0.00 29.97 29.80 2uva h ARG 404 CO 0.05 0.35 -0.61 -0.07 -1.51 0.00 0.00 179.97 178.19 2uva h LEU 405 N 0.55 0.83 -1.13 3.80 3.38 0.24 -3.11 115.31 119.87 2uva h LEU 405 Ca 0.35 -0.60 -0.06 0.00 0.09 0.00 0.00 57.88 57.66 2uva h LEU 405 Cb 0.61 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 2uva h LEU 405 CO -0.12 1.29 -0.28 0.08 0.09 0.00 0.00 178.44 179.50 2uva h ARG 406 N 0.41 0.00 0.00 1.13 0.11 -1.12 -1.84 114.38 113.07 2uva h ARG 406 Ca -0.03 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.05 2uva h ARG 406 Cb 1.23 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.31 2uva h ARG 406 CO 0.13 0.28 0.00 0.87 0.10 0.00 0.00 179.97 181.35 2uva h LYS 407 N 0.00 0.00 0.00 0.08 1.57 -1.49 -3.16 116.57 113.57 2uva h LYS 407 Ca -0.00 0.00 -0.39 0.00 -1.87 0.00 0.00 60.65 58.38 2uva h LYS 407 Cb 0.76 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 33.00 2uva h LYS 407 CO 0.04 0.00 -2.48 0.28 -0.57 0.00 0.00 179.45 176.72 2uva n VAL 408 N -2.46 1.49 -1.47 0.50 0.31 -0.83 -5.01 118.33 110.85 2uva n VAL 408 Ca 0.02 -0.55 -0.31 0.00 -0.01 0.00 0.00 64.34 63.49 2uva n VAL 408 Cb 0.24 -1.45 0.08 0.00 -0.91 0.00 0.00 33.84 31.80 2uva n VAL 408 CO 0.00 0.00 0.00 -1.59 -1.32 0.00 0.00 176.83 173.92 2uva s LYS 409 N -2.52 2.39 -0.00 5.55 -2.85 -0.75 -4.36 119.74 117.20 2uva s LYS 409 Ca -0.35 0.89 0.01 0.00 -1.00 0.00 0.00 55.97 55.52 2uva s LYS 409 Cb 0.09 -1.93 -0.04 0.00 -2.06 0.00 0.00 37.83 33.90 2uva s LYS 409 CO 0.59 -1.47 0.02 0.00 0.10 0.00 0.00 175.35 174.59 2uva s ALA 410 N -3.04 3.35 0.61 0.59 0.00 -1.20 -4.91 121.76 117.16 2uva s ALA 410 Ca 0.60 -0.93 -0.18 0.00 0.00 0.00 0.00 51.96 51.45 2uva s ALA 410 Cb -0.15 -1.40 -0.06 0.00 0.00 0.00 0.00 23.12 21.51 2uva s ALA 410 CO 0.55 0.66 0.74 -2.30 0.00 0.00 0.00 175.76 175.40 2uva n PRO 411 N 1.36 0.64 0.00 0.00 -0.02 -1.26 -4.86 135.00 130.86 2uva n PRO 411 Ca -0.14 0.26 0.07 0.00 -2.02 0.00 0.00 63.50 61.66 2uva n PRO 411 Cb 0.53 -1.94 0.30 0.00 -0.02 0.00 0.00 33.50 32.37 2uva n PRO 411 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 2uva n THR 412 N -1.84 0.98 0.03 3.45 -1.04 -1.26 -2.85 114.28 111.75 2uva n THR 412 Ca 0.13 0.24 -0.20 0.00 -2.04 0.00 0.00 64.05 62.18 2uva n THR 412 Cb 0.48 -1.01 -0.14 0.00 -1.82 0.00 0.00 70.33 67.83 2uva n THR 412 CO 0.00 0.00 0.00 1.23 -0.64 0.00 0.00 175.07 175.66 2uva h GLY 413 N 2.30 0.31 -4.75 3.41 0.00 -2.05 -3.47 103.07 98.81 2uva h GLY 413 Ca 0.00 -0.79 -0.63 0.00 0.00 0.00 0.00 47.33 45.90 2uva h GLY 413 CO 0.00 0.69 -0.01 1.04 0.00 0.00 0.00 176.54 178.26 2uva n LEU 414 N -4.11 0.94 -4.75 3.11 4.77 -1.13 -4.99 117.00 110.84 2uva n LEU 414 Ca -0.16 1.16 -0.36 0.00 -0.03 0.00 0.00 56.01 56.62 2uva n LEU 414 Cb 0.82 -1.18 -0.08 0.00 -2.33 0.00 0.00 43.42 40.65 2uva n LEU 414 CO 0.46 -1.79 -0.24 -0.62 -1.33 0.00 0.00 177.39 173.87 2uva s ASP 415 N -0.55 5.77 0.00 -1.43 2.15 -1.26 -4.99 116.67 116.36 2uva s ASP 415 Ca 0.64 0.26 0.00 0.00 0.43 0.00 0.00 52.55 53.88 2uva s ASP 415 Cb -0.80 -1.80 0.00 0.00 -0.30 0.00 0.00 42.92 40.02 2uva s ASP 415 CO 0.57 0.35 0.70 0.00 -0.17 0.00 0.00 175.17 176.63 2uva n GLN 416 N 2.35 1.34 0.04 4.34 6.02 -1.26 -4.77 117.38 125.45 2uva n GLN 416 Ca -0.19 -0.94 0.03 0.00 -0.01 0.00 0.00 57.00 55.89 2uva n GLN 416 Cb 0.54 -0.78 0.15 0.00 1.02 0.00 0.00 30.24 31.17 2uva n GLN 416 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 2uva n ASN 417 N -0.24 0.14 -0.11 1.08 3.02 -1.26 -1.29 115.26 116.61 2uva n ASN 417 Ca 0.00 0.53 0.01 0.00 -0.03 0.00 0.00 54.58 55.10 2uva n ASN 417 Cb 0.32 -0.55 0.02 0.00 -0.61 0.00 0.00 39.78 38.96 2uva n ASN 417 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2uva n ARG 418 N -1.67 1.28 -4.31 3.52 5.12 -1.26 -4.64 116.66 114.70 2uva n ARG 418 Ca -0.00 -1.15 -0.35 0.00 -1.93 0.00 0.00 57.85 54.42 2uva n ARG 418 Cb 0.05 -1.05 -0.10 0.00 -1.16 0.00 0.00 32.46 30.20 2uva n ARG 418 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 2uva s ILE 419 N -0.62 4.31 0.47 0.55 1.01 -0.41 -5.01 121.20 121.50 2uva s ILE 419 Ca 0.04 -0.23 -0.20 0.00 0.00 0.00 0.00 60.65 60.25 2uva s ILE 419 Cb 0.02 -2.85 -0.12 0.00 0.01 0.00 0.00 42.46 39.51 2uva s ILE 419 CO 0.03 0.55 0.36 -2.65 0.00 0.00 0.00 174.94 173.23 2uva n PRO 420 N 2.71 0.38 -0.04 2.79 -0.02 -1.26 -4.81 135.00 134.74 2uva n PRO 420 Ca -0.18 0.14 -0.13 0.00 -2.02 0.00 0.00 63.50 61.31 2uva n PRO 420 Cb 0.53 -1.40 -0.08 0.00 -0.02 0.00 0.00 33.50 32.53 2uva n PRO 420 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 2uva h PHE 421 N 0.45 0.26 0.00 6.00 3.57 -1.78 -2.46 116.94 122.97 2uva h PHE 421 Ca -0.41 -0.08 0.00 0.00 3.53 0.00 0.00 57.97 61.01 2uva h PHE 421 Cb 1.41 -0.05 0.00 0.00 2.79 0.00 0.00 35.95 40.10 2uva h PHE 421 CO 0.32 0.64 0.00 0.25 -2.23 0.00 0.00 178.31 177.28 2uva n THR 422 N -4.68 0.00 0.02 4.41 -2.24 -1.26 -2.30 114.28 108.23 2uva n THR 422 Ca -0.07 0.00 0.06 0.00 -2.27 0.00 0.00 64.05 61.77 2uva n THR 422 Cb 0.31 -0.17 -0.10 0.00 -2.10 0.00 0.00 70.33 68.27 2uva n THR 422 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 2uva n GLN 423 N -0.48 0.48 -1.58 -0.78 -0.06 -0.94 -5.04 117.38 108.98 2uva n GLN 423 Ca 0.00 -0.11 -0.32 0.00 -2.00 0.00 0.00 57.00 54.57 2uva n GLN 423 Cb 0.00 -1.29 0.06 0.00 -4.06 0.00 0.00 30.24 24.95 2uva n GLN 423 CO 0.00 0.00 0.00 1.03 -0.20 0.00 0.00 177.06 177.89 2uva s ARG 424 N -2.85 2.67 0.38 3.69 0.52 -0.97 -4.99 118.95 117.40 2uva s ARG 424 Ca -0.04 1.24 -0.11 0.00 -0.52 0.00 0.00 55.73 56.29 2uva s ARG 424 Cb 0.08 -1.94 -0.07 0.00 0.52 0.00 0.00 34.95 33.54 2uva s ARG 424 CO 0.52 -1.33 0.75 0.15 0.02 0.00 0.00 175.30 175.41 2uva s LYS 425 N -4.51 3.81 0.29 3.54 1.02 -1.26 -5.04 119.74 117.60 2uva s LYS 425 Ca 0.63 0.47 -0.29 0.00 0.02 0.00 0.00 55.97 56.81 2uva s LYS 425 Cb -0.18 -2.42 -0.09 0.00 -0.52 0.00 0.00 37.83 34.62 2uva s LYS 425 CO 0.48 0.02 1.08 0.00 -0.92 0.00 0.00 175.35 176.02 2uva s ALA 426 N -2.27 3.36 -1.00 5.17 0.00 -1.26 -4.80 121.76 120.96 2uva s ALA 426 Ca 0.51 0.86 -0.04 0.00 0.00 0.00 0.00 51.96 53.29 2uva s ALA 426 Cb -0.10 -3.31 0.27 0.00 0.00 0.00 0.00 23.12 19.97 2uva s ALA 426 CO 0.28 -0.15 1.12 -2.13 0.00 0.00 0.00 175.76 174.88 2uva n ARG 427 N 1.03 3.52 -4.43 0.00 0.63 -1.26 -3.27 116.66 112.88 2uva n ARG 427 Ca -0.00 -4.52 -0.21 0.00 -0.92 0.00 0.00 57.85 52.19 2uva n ARG 427 Cb 0.45 -2.47 -0.10 0.00 0.45 0.00 0.00 32.46 30.79 2uva n ARG 427 CO 0.00 0.00 0.00 -0.59 -2.51 0.00 0.00 177.63 174.53 2uva s PHE 428 N -1.96 1.95 -0.19 -0.14 -0.12 -1.26 -4.90 117.98 111.37 2uva s PHE 428 Ca 0.31 -0.74 0.00 0.00 -0.05 0.00 0.00 56.93 56.46 2uva s PHE 428 Cb -0.02 -1.14 0.02 0.00 -0.63 0.00 0.00 43.02 41.25 2uva s PHE 428 CO -0.02 0.24 -0.17 0.08 -0.05 0.00 0.00 175.22 175.30 2uva s VAL 429 N -3.05 2.29 0.04 -2.49 1.01 -1.23 -4.99 120.40 111.98 2uva s VAL 429 Ca 0.30 -0.90 0.05 0.00 0.00 0.00 0.00 61.98 61.43 2uva s VAL 429 Cb 0.05 -2.00 -0.03 0.00 0.00 0.00 0.00 36.38 34.39 2uva s VAL 429 CO 0.12 0.49 -0.10 0.54 0.00 0.00 0.00 175.10 176.16 2uva s ASN 430 N 1.31 4.42 -0.17 3.32 4.22 -1.26 -1.76 114.94 125.02 2uva s ASN 430 Ca 0.04 -0.26 -0.30 0.00 -2.14 0.00 0.00 52.86 50.21 2uva s ASN 430 Cb -0.14 -0.93 0.13 0.00 1.28 0.00 0.00 41.25 41.59 2uva s ASN 430 CO -0.11 0.25 1.00 -0.60 -2.04 0.00 0.00 177.10 175.60 2uva s ARG 431 N -1.64 0.58 0.39 3.55 3.52 -0.75 -4.57 118.95 120.04 2uva s ARG 431 Ca 0.18 0.19 -0.15 0.00 -0.13 0.00 0.00 55.73 55.82 2uva s ARG 431 Cb -0.11 0.28 -0.09 0.00 -1.56 0.00 0.00 34.95 33.47 2uva s ARG 431 CO 0.09 -0.17 0.83 -0.06 -0.81 0.00 0.00 175.30 175.17 2uva s PHE 432 N -0.96 3.39 0.11 5.12 2.99 -1.26 0.77 117.98 128.15 2uva s PHE 432 Ca -0.01 1.30 0.07 0.00 0.00 0.00 0.00 56.93 58.29 2uva s PHE 432 Cb -0.01 -2.62 -0.04 0.00 0.00 0.00 0.00 43.02 40.35 2uva s PHE 432 CO 0.01 -0.06 -0.11 -0.51 -0.00 0.00 0.00 175.22 174.55 2uva s LEU 433 N -3.38 3.01 0.00 -0.37 1.43 -0.40 -4.77 118.68 114.20 2uva s LEU 433 Ca 0.56 -0.41 0.00 0.00 -1.03 0.00 0.00 54.13 53.25 2uva s LEU 433 Cb -0.10 -1.81 0.00 0.00 0.03 0.00 0.00 46.19 44.31 2uva s LEU 433 CO 0.22 0.17 0.14 -2.65 0.23 0.00 0.00 176.35 174.46 2uva n PRO 434 N 0.69 0.27 -2.83 1.29 -0.02 -1.26 -4.73 135.00 128.41 2uva n PRO 434 Ca -0.14 0.00 -0.40 0.00 -2.02 0.00 0.00 63.50 60.94 2uva n PRO 434 Cb 0.52 -1.14 -0.05 0.00 -0.02 0.00 0.00 33.50 32.81 2uva n PRO 434 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2uva s ILE 435 N -0.98 4.40 -2.30 4.25 1.01 -1.26 -4.86 121.20 121.47 2uva s ILE 435 Ca 0.00 1.93 0.25 0.00 0.00 0.00 0.00 60.65 62.83 2uva s ILE 435 Cb 0.00 -4.25 0.20 0.00 0.01 0.00 0.00 42.46 38.42 2uva s ILE 435 CO 0.00 0.41 1.36 0.41 0.00 0.00 0.00 174.94 177.12 2uva n THR 436 N 2.23 0.00 -3.47 2.92 -1.04 -1.26 -4.50 114.28 109.16 2uva n THR 436 Ca -0.01 -0.29 -0.14 0.00 -2.04 0.00 0.00 64.05 61.57 2uva n THR 436 Cb 0.49 0.99 -0.04 0.00 -1.82 0.00 0.00 70.33 69.95 2uva n THR 436 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2uva s ALA 437 N -2.28 -1.61 -1.12 2.41 0.00 -1.26 -4.82 121.76 113.08 2uva s ALA 437 Ca 0.26 0.75 -0.22 0.00 0.00 0.00 0.00 51.96 52.74 2uva s ALA 437 Cb 0.19 0.55 -0.02 0.00 0.00 0.00 0.00 23.12 23.84 2uva s ALA 437 CO 0.45 -0.61 1.83 -2.14 0.00 0.00 0.00 175.76 175.28 2uva s PRO 438 N -2.82 3.00 0.38 0.00 0.02 -1.26 -4.83 135.00 129.49 2uva s PRO 438 Ca -0.03 -1.14 -0.09 0.00 0.02 0.00 0.00 61.00 59.77 2uva s PRO 438 Cb -0.01 -5.28 -0.06 0.00 0.02 0.00 0.00 34.50 29.17 2uva s PRO 438 CO -0.05 -3.21 0.71 -0.06 -0.33 0.00 0.00 177.00 174.07 2uva s PHE 439 N 8.44 3.48 -1.12 6.54 0.40 -1.26 -4.18 117.98 130.27 2uva s PHE 439 Ca 0.62 0.92 -0.07 0.00 -0.60 0.00 0.00 56.93 57.80 2uva s PHE 439 Cb -0.01 -2.34 0.01 0.00 0.51 0.00 0.00 43.02 41.19 2uva s PHE 439 CO 0.05 -0.04 0.91 0.72 0.70 0.00 0.00 175.22 177.56 2uva n HIS 440 N -1.27 -2.27 -3.75 0.36 8.25 -0.99 -4.88 115.22 110.67 2uva n HIS 440 Ca 0.01 0.78 -0.13 0.00 -0.26 0.00 0.00 57.72 58.13 2uva n HIS 440 Cb 0.54 -4.24 -0.08 0.00 1.12 0.00 0.00 29.99 27.33 2uva n HIS 440 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 2uva s SER 441 N -3.20 -0.17 0.00 0.41 1.04 -1.21 -4.56 113.70 106.00 2uva s SER 441 Ca 0.45 -0.04 0.00 0.00 0.48 0.00 0.00 55.95 56.84 2uva s SER 441 Cb -0.20 0.35 0.00 0.00 0.10 0.00 0.00 66.02 66.27 2uva s SER 441 CO 0.56 -0.55 0.48 -2.65 0.98 0.00 0.00 173.24 172.06 2uva n PRO 442 N 0.87 0.00 0.10 4.02 -0.02 -1.26 -2.35 135.00 136.36 2uva n PRO 442 Ca -0.20 0.01 0.12 0.00 -2.02 0.00 0.00 63.50 61.41 2uva n PRO 442 Cb 0.58 -1.50 0.12 0.00 -0.02 0.00 0.00 33.50 32.68 2uva n PRO 442 CO 0.00 0.00 0.00 1.88 1.98 0.00 0.00 175.50 179.36 2uva h TYR 443 N 0.00 0.00 -0.95 6.00 0.05 -1.87 -3.24 116.97 116.95 2uva h TYR 443 Ca 0.00 0.00 -0.62 0.00 0.05 0.00 0.00 58.73 58.16 2uva h TYR 443 Cb 0.00 0.00 -0.30 0.00 1.01 0.00 0.00 36.73 37.44 2uva h TYR 443 CO 0.00 0.00 0.62 1.28 -1.05 0.00 0.00 178.16 179.01 2uva n LEU 444 N -2.47 7.13 0.15 3.88 4.77 -0.99 -4.53 117.00 124.94 2uva n LEU 444 Ca 0.02 -4.23 -0.09 0.00 -0.03 0.00 0.00 56.01 51.69 2uva n LEU 444 Cb 0.49 -0.88 -0.05 0.00 -2.33 0.00 0.00 43.42 40.66 2uva n LEU 444 CO 0.37 1.47 0.25 0.00 -1.33 0.00 0.00 177.39 178.15 2uva h ALA 445 N 1.84 -0.46 -0.15 -1.18 0.00 -1.78 -3.26 119.26 114.28 2uva h ALA 445 Ca 0.57 -0.14 0.04 0.00 0.00 0.00 0.00 54.91 55.39 2uva h ALA 445 Cb 1.22 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 19.18 2uva h ALA 445 CO 1.39 -0.45 0.12 0.78 0.00 0.00 0.00 179.25 181.09 2uva h GLY 446 N -1.08 0.00 1.03 0.00 0.00 -1.88 -2.39 103.07 98.75 2uva h GLY 446 Ca -0.05 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.17 2uva h GLY 446 CO 0.08 0.00 -0.21 0.00 0.00 0.00 0.00 176.54 176.41 2uva h ALA 447 N 1.90 0.56 -0.74 3.60 0.00 -1.83 -3.33 119.26 119.42 2uva h ALA 447 Ca 0.07 -0.37 0.16 0.00 0.00 0.00 0.00 54.91 54.76 2uva h ALA 447 Cb 0.31 -0.14 -0.13 0.00 0.00 0.00 0.00 17.79 17.83 2uva h ALA 447 CO -0.00 0.53 -0.09 1.25 0.00 0.00 0.00 179.25 180.94 2uva h HIS 448 N 0.66 -0.22 0.38 0.00 2.76 -1.46 -1.15 115.15 116.11 2uva h HIS 448 Ca 0.09 0.06 -0.01 0.00 -2.20 0.00 0.00 60.37 58.31 2uva h HIS 448 Cb 0.77 0.21 -0.02 0.00 1.55 0.00 0.00 27.41 29.93 2uva h HIS 448 CO 0.06 -0.28 -0.31 0.00 -1.30 0.00 0.00 177.93 176.10 2uva h ALA 449 N 1.72 -0.70 -0.61 5.26 0.00 -1.73 -2.49 119.26 120.70 2uva h ALA 449 Ca 0.38 -0.12 0.12 0.00 0.00 0.00 0.00 54.91 55.29 2uva h ALA 449 Cb 0.63 0.43 -0.12 0.00 0.00 0.00 0.00 17.79 18.73 2uva h ALA 449 CO -0.71 -0.92 -0.24 0.45 0.00 0.00 0.00 179.25 177.83 2uva h HIS 450 N -0.69 -0.60 -0.35 0.00 -0.00 -1.39 -2.01 115.15 110.11 2uva h HIS 450 Ca -0.03 0.06 0.03 0.00 -0.00 0.00 0.00 60.37 60.44 2uva h HIS 450 Cb 0.61 0.36 -0.03 0.00 -0.00 0.00 0.00 27.41 28.34 2uva h HIS 450 CO -0.16 -0.33 0.15 0.82 -0.00 0.00 0.00 177.93 178.41 2uva h ILE 451 N -0.08 0.94 -0.46 2.45 2.04 -1.18 -2.68 117.51 118.54 2uva h ILE 451 Ca 0.28 -0.11 0.08 0.00 1.00 0.00 0.00 64.86 66.11 2uva h ILE 451 Cb 0.51 0.60 -0.07 0.00 -0.74 0.00 0.00 36.82 37.13 2uva h ILE 451 CO -0.67 0.06 0.04 -0.07 0.00 0.00 0.00 178.15 177.51 2uva h LEU 452 N 0.31 -0.11 -1.91 1.44 3.38 -0.91 -2.39 115.31 115.11 2uva h LEU 452 Ca 0.15 0.10 0.03 0.00 0.09 0.00 0.00 57.88 58.24 2uva h LEU 452 Cb 0.09 0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 2uva h LEU 452 CO -0.13 -0.02 0.12 1.23 0.09 0.00 0.00 178.44 179.72 2uva h GLY 453 N 0.16 0.13 2.00 0.83 0.00 -1.11 -1.98 103.07 103.09 2uva h GLY 453 Ca 0.23 -0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.52 2uva h GLY 453 CO -0.35 0.04 0.00 -0.55 0.00 0.00 0.00 176.54 175.68 2uva h ASP 454 N 0.11 0.00 0.00 0.19 3.32 -1.34 -3.35 116.42 115.35 2uva h ASP 454 Ca 0.07 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.12 2uva h ASP 454 Cb 0.15 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.69 2uva h ASP 454 CO -0.01 0.00 -0.21 0.52 -1.72 0.00 0.00 179.24 177.82 2uva n VAL 455 N -2.56 1.29 1.00 -1.35 0.31 -0.75 -4.64 118.33 111.63 2uva n VAL 455 Ca 0.03 -1.61 0.13 0.00 -0.01 0.00 0.00 64.34 62.88 2uva n VAL 455 Cb 0.36 0.02 0.47 0.00 -0.91 0.00 0.00 33.84 33.78 2uva n VAL 455 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 2uva n ASP 456 N -0.93 0.20 -0.02 4.52 3.85 -1.19 -3.21 116.55 119.77 2uva n ASP 456 Ca 0.11 0.20 0.01 0.00 -0.71 0.00 0.00 54.79 54.41 2uva n ASP 456 Cb 0.68 -0.20 0.34 0.00 -1.35 0.00 0.00 41.12 40.58 2uva n ASP 456 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 177.20 176.63 2uva h ASP 457 N 0.00 0.52 -2.06 -1.12 3.32 -1.88 -3.42 116.42 111.79 2uva h ASP 457 Ca 0.00 -0.06 -0.49 0.00 0.02 0.00 0.00 57.03 56.50 2uva h ASP 457 Cb 0.50 -0.13 -0.03 0.00 0.22 0.00 0.00 39.33 39.88 2uva h ASP 457 CO 0.00 0.49 -0.47 0.00 -1.72 0.00 0.00 179.24 177.54 2uva s MET 458 N -5.26 2.96 -0.21 3.56 0.23 -1.20 -5.13 119.30 114.25 2uva s MET 458 Ca -0.08 -1.08 -0.12 0.00 -1.03 0.00 0.00 55.69 53.38 2uva s MET 458 Cb 0.16 -2.61 0.07 0.00 -1.53 0.00 0.00 34.83 30.92 2uva s MET 458 CO 0.75 0.28 0.52 0.15 -2.03 0.00 0.00 175.02 174.70 2uva s LYS 459 N -3.94 0.52 -0.33 3.16 3.01 -1.26 -4.98 119.74 115.92 2uva s LYS 459 Ca 0.36 0.97 -0.01 0.00 -1.01 0.00 0.00 55.97 56.28 2uva s LYS 459 Cb -0.08 0.05 0.07 0.00 -1.01 0.00 0.00 37.83 36.87 2uva s LYS 459 CO 0.27 -0.16 0.05 0.42 0.51 0.00 0.00 175.35 176.43 2uva s ILE 460 N 1.52 2.90 0.31 2.17 1.09 -1.26 -4.99 121.20 122.94 2uva s ILE 460 Ca -0.10 -1.69 -0.21 0.00 -1.10 0.00 0.00 60.65 57.56 2uva s ILE 460 Cb -0.07 -2.80 -0.09 0.00 -1.06 0.00 0.00 42.46 38.43 2uva s ILE 460 CO -0.16 -0.30 0.82 -2.84 -0.10 0.00 0.00 174.94 172.36 2uva s PRO 461 N 1.17 4.28 0.59 2.79 0.02 -1.26 0.25 135.00 142.84 2uva s PRO 461 Ca -0.00 0.99 0.29 0.00 0.02 0.00 0.00 61.00 62.29 2uva s PRO 461 Cb -0.20 -2.64 1.60 0.00 0.02 0.00 0.00 34.50 33.27 2uva s PRO 461 CO -0.03 0.24 2.02 0.00 -0.33 0.00 0.00 177.00 178.90 2uva h ALA 462 N 2.84 1.91 0.00 -1.55 0.00 -1.71 -1.55 119.26 119.20 2uva h ALA 462 Ca -0.48 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.37 2uva h ALA 462 Cb 1.19 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 2uva h ALA 462 CO 0.64 -0.44 -0.27 0.66 0.00 0.00 0.00 179.25 179.84 2uva h SER 463 N 0.00 0.00 0.00 0.00 4.64 -1.85 -3.17 113.55 113.16 2uva h SER 463 Ca 0.13 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.45 2uva h SER 463 Cb 0.74 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.83 2uva h SER 463 CO -0.00 0.27 0.00 -1.54 -0.87 0.00 0.00 176.83 174.69 2uva n SER 464 N -3.19 0.85 -4.33 4.97 3.41 -0.58 -4.69 113.62 110.06 2uva n SER 464 Ca 0.03 -1.97 -0.46 0.00 -0.26 0.00 0.00 58.87 56.20 2uva n SER 464 Cb 0.62 -0.43 -0.04 0.00 -0.26 0.00 0.00 64.21 64.10 2uva n SER 464 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2uva s LEU 465 N -0.13 6.25 0.00 1.04 1.43 -1.20 -4.16 118.68 121.91 2uva s LEU 465 Ca 0.00 -2.09 0.00 0.00 -1.03 0.00 0.00 54.13 51.01 2uva s LEU 465 Cb 0.00 -2.23 0.00 0.00 0.03 0.00 0.00 46.19 43.99 2uva s LEU 465 CO 0.00 -0.79 0.81 0.52 0.23 0.00 0.00 176.35 177.11 2uva n VAL 466 N 4.82 0.00 -4.23 -1.59 0.31 -0.42 -4.67 118.33 112.55 2uva n VAL 466 Ca -0.01 1.31 -0.35 0.00 -0.01 0.00 0.00 64.34 65.27 2uva n VAL 466 Cb 0.43 -2.03 -0.09 0.00 -0.91 0.00 0.00 33.84 31.25 2uva n VAL 466 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 2uva s ILE 467 N -2.23 4.58 -0.03 2.52 1.01 -1.26 -5.04 121.20 120.75 2uva s ILE 467 Ca 0.00 -0.14 -0.40 0.00 0.00 0.00 0.00 60.65 60.12 2uva s ILE 467 Cb 0.00 -2.97 -0.20 0.00 0.01 0.00 0.00 42.46 39.31 2uva s ILE 467 CO 0.00 0.58 1.08 -2.65 0.00 0.00 0.00 174.94 173.95 2uva n PRO 468 N 2.40 0.00 -3.78 2.79 -0.02 -1.26 -4.76 135.00 130.37 2uva n PRO 468 Ca -0.18 0.00 -0.37 0.00 -2.02 0.00 0.00 63.50 60.92 2uva n PRO 468 Cb 0.54 -1.47 -0.13 0.00 -0.02 0.00 0.00 33.50 32.42 2uva n PRO 468 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2uva s VAL 469 N 0.19 3.68 -0.05 -1.45 1.01 -1.26 -1.40 120.40 121.13 2uva s VAL 469 Ca 0.90 -1.07 -0.25 0.00 0.00 0.00 0.00 61.98 61.56 2uva s VAL 469 Cb -1.26 -3.04 -0.03 0.00 0.00 0.00 0.00 36.38 32.05 2uva s VAL 469 CO 0.57 -0.10 0.78 -0.31 0.00 0.00 0.00 175.10 176.04 2uva s TYR 470 N 1.40 3.60 0.96 5.22 1.51 -0.91 -0.80 117.35 128.33 2uva s TYR 470 Ca -0.01 1.37 -0.13 0.00 -1.01 0.00 0.00 57.07 57.29 2uva s TYR 470 Cb -0.19 -2.89 0.04 0.00 -0.11 0.00 0.00 41.96 38.81 2uva s TYR 470 CO 0.02 0.06 0.37 -3.47 -1.11 0.00 0.00 175.55 171.41 2uva n ASP 471 N 3.83 -2.15 -0.04 2.29 2.03 -1.10 -4.75 116.55 116.66 2uva n ASP 471 Ca 0.01 0.29 -0.10 0.00 0.52 0.00 0.00 54.79 55.51 2uva n ASP 471 Cb 0.51 -1.18 -0.09 0.00 -0.72 0.00 0.00 41.12 39.64 2uva n ASP 471 CO 0.00 0.00 0.00 0.74 -1.92 0.00 0.00 177.20 176.02 2uva h THR 472 N -1.60 1.20 0.00 5.18 2.02 -1.92 -3.39 112.91 114.40 2uva h THR 472 Ca -0.44 -1.76 -0.19 0.00 0.77 0.00 0.00 66.41 64.79 2uva h THR 472 Cb 1.29 2.20 -0.02 0.00 -1.74 0.00 0.00 68.15 69.88 2uva h THR 472 CO 0.34 0.38 -0.85 0.50 0.37 0.00 0.00 175.52 176.27 2uva h LYS 473 N -0.95 0.12 -4.81 6.66 3.64 -1.90 -3.12 116.57 116.22 2uva h LYS 473 Ca -0.00 -0.14 -0.33 0.00 -1.27 0.00 0.00 60.65 58.91 2uva h LYS 473 Cb 0.66 0.04 -0.22 0.00 -0.41 0.00 0.00 32.23 32.29 2uva h LYS 473 CO 0.01 0.90 -0.75 0.99 -2.27 0.00 0.00 179.45 178.32 2uva s THR 474 N -3.20 0.73 -1.37 1.00 2.01 -1.26 -4.56 115.64 108.98 2uva s THR 474 Ca -0.02 -1.05 0.06 0.00 0.31 0.00 0.00 61.69 61.00 2uva s THR 474 Cb 0.11 -0.74 0.10 0.00 0.01 0.00 0.00 72.50 71.98 2uva s THR 474 CO 0.81 -0.26 1.07 0.61 -0.69 0.00 0.00 174.62 176.17 2uva n GLY 475 N 1.60 -0.53 3.70 4.40 0.00 -1.26 -3.00 105.19 110.10 2uva n GLY 475 Ca -0.21 -0.03 -0.42 0.00 0.00 0.00 0.00 46.02 45.36 2uva n GLY 475 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2uva s GLN 476 N -2.63 4.32 0.21 1.61 -2.07 -1.26 -4.12 119.66 115.72 2uva s GLN 476 Ca 0.06 1.95 -0.30 0.00 -1.82 0.00 0.00 55.36 55.25 2uva s GLN 476 Cb 0.04 -3.44 -0.16 0.00 -1.09 0.00 0.00 33.01 28.36 2uva s GLN 476 CO 0.10 -0.48 0.86 -3.47 -1.32 0.00 0.00 175.29 170.98 2uva n ASP 477 N 4.73 0.24 0.22 12.60 -0.08 -1.26 -2.72 116.55 130.28 2uva n ASP 477 Ca 0.12 1.15 0.14 0.00 -1.51 0.00 0.00 54.79 54.69 2uva n ASP 477 Cb 0.44 -1.12 0.35 0.00 2.34 0.00 0.00 41.12 43.13 2uva n ASP 477 CO 0.00 0.00 0.00 -0.07 0.12 0.00 0.00 177.20 177.25 2uva h LEU 478 N 1.98 0.00 -1.01 -2.67 3.38 -1.33 -3.22 115.31 112.44 2uva h LEU 478 Ca -0.37 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.60 2uva h LEU 478 Cb 1.39 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.14 2uva h LEU 478 CO 0.62 0.00 0.00 0.03 0.09 0.00 0.00 178.44 179.18 2uva h ARG 479 N 0.00 0.00 -0.90 1.13 3.08 -1.82 -2.05 114.38 113.82 2uva h ARG 479 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2uva h ARG 479 Cb 0.82 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.87 2uva h ARG 479 CO 0.00 0.00 0.00 -1.91 -1.07 0.00 0.00 179.97 176.99 2uva n GLU 480 N -2.34 0.87 -4.15 0.04 2.13 -1.22 -4.76 120.64 111.22 2uva n GLU 480 Ca 0.01 0.00 -0.33 0.00 0.66 0.00 0.00 57.16 57.50 2uva n GLU 480 Cb 0.18 -1.39 -0.08 0.00 0.27 0.00 0.00 31.44 30.43 2uva n GLU 480 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 2uva s LEU 481 N 0.00 3.81 -1.26 4.31 1.43 -0.77 -5.02 118.68 121.18 2uva s LEU 481 Ca 0.00 0.12 -0.14 0.00 -1.03 0.00 0.00 54.13 53.08 2uva s LEU 481 Cb 0.00 -2.18 -0.05 0.00 0.03 0.00 0.00 46.19 44.00 2uva s LEU 481 CO 0.00 0.29 2.29 0.61 0.23 0.00 0.00 176.35 179.77 2uva n GLY 482 N 1.33 3.78 2.65 -3.19 0.00 -1.26 -4.48 105.19 104.02 2uva n GLY 482 Ca -0.14 -1.40 -0.08 0.00 0.00 0.00 0.00 46.02 44.40 2uva n GLY 482 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2uva n ASP 483 N 5.67 -4.95 -4.77 1.61 8.00 -1.26 -4.90 116.55 115.95 2uva n ASP 483 Ca 0.56 0.19 -0.39 0.00 0.71 0.00 0.00 54.79 55.85 2uva n ASP 483 Cb 0.33 -3.56 -0.01 0.00 -0.02 0.00 0.00 41.12 37.86 2uva n ASP 483 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2uva s GLU 484 N -2.47 4.09 -0.20 -1.24 2.02 -1.26 -4.12 118.70 115.52 2uva s GLU 484 Ca 0.00 2.08 -0.34 0.00 0.02 0.00 0.00 54.97 56.73 2uva s GLU 484 Cb 0.00 -2.82 -0.11 0.00 0.10 0.00 0.00 34.13 31.30 2uva s GLU 484 CO 0.00 -0.36 2.03 -0.25 0.02 0.00 0.00 175.26 176.70 2uva n ASP 485 N 0.30 2.96 0.28 -0.19 9.92 -1.23 -3.37 116.55 125.22 2uva n ASP 485 Ca 0.03 0.68 0.18 0.00 -0.53 0.00 0.00 54.79 55.15 2uva n ASP 485 Cb 0.44 -1.36 0.97 0.00 -0.64 0.00 0.00 41.12 40.53 2uva n ASP 485 CO 0.00 0.00 0.00 0.40 0.13 0.00 0.00 177.20 177.73 2uva h ILE 486 N 6.24 0.00 0.61 0.53 2.04 0.30 -2.88 117.51 124.35 2uva h ILE 486 Ca -0.41 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.42 2uva h ILE 486 Cb 1.28 0.79 0.01 0.00 -0.74 0.00 0.00 36.82 38.16 2uva h ILE 486 CO 0.97 0.00 -0.29 0.40 0.00 0.00 0.00 178.15 179.23 2uva h ILE 487 N 0.00 0.34 0.00 -0.67 2.04 -1.87 0.90 117.51 118.25 2uva h ILE 487 Ca 0.00 -0.21 0.00 0.00 1.00 0.00 0.00 64.86 65.65 2uva h ILE 487 Cb 0.10 0.41 0.00 0.00 -0.74 0.00 0.00 36.82 36.59 2uva h ILE 487 CO 0.00 0.03 0.00 -2.65 0.00 0.00 0.00 178.15 175.53 2uva n PRO 488 N -5.39 0.14 -0.04 2.37 -0.02 -1.09 -1.88 135.00 129.09 2uva n PRO 488 Ca -0.12 0.00 -0.06 0.00 -2.02 0.00 0.00 63.50 61.30 2uva n PRO 488 Cb 0.35 -1.45 -0.05 0.00 -0.02 0.00 0.00 33.50 32.33 2uva n PRO 488 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2uva n GLU 489 N -0.95 1.04 -0.18 -0.52 1.02 -0.84 -4.23 120.64 115.99 2uva n GLU 489 Ca 0.03 0.04 -0.05 0.00 -0.02 0.00 0.00 57.16 57.16 2uva n GLU 489 Cb 0.01 -1.19 0.05 0.00 -0.02 0.00 0.00 31.44 30.30 2uva n GLU 489 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 2uva h LEU 490 N 0.00 0.47 -0.64 -4.62 3.38 0.12 -1.99 115.31 112.04 2uva h LEU 490 Ca -0.21 0.01 0.05 0.00 0.09 0.00 0.00 57.88 57.83 2uva h LEU 490 Cb 1.36 -0.08 -0.05 0.00 0.09 0.00 0.00 40.66 41.98 2uva h LEU 490 CO -0.02 0.33 0.36 0.58 0.09 0.00 0.00 178.44 179.78 2uva h VAL 491 N 0.60 1.00 -0.57 1.22 2.07 -1.61 -2.69 116.25 116.26 2uva h VAL 491 Ca 0.22 -0.23 -0.11 0.00 0.82 0.00 0.00 66.70 67.40 2uva h VAL 491 Cb 0.07 0.25 -0.02 0.00 -1.52 0.00 0.00 31.29 30.08 2uva h VAL 491 CO -0.12 0.12 -0.06 0.08 0.02 0.00 0.00 177.57 177.61 2uva h ARG 492 N 0.68 1.05 0.00 1.57 0.11 -1.65 -1.96 114.38 114.19 2uva h ARG 492 Ca 0.28 -0.37 -0.08 0.00 0.10 0.00 0.00 59.98 59.91 2uva h ARG 492 Cb 0.13 -0.08 -0.01 0.00 1.11 0.00 0.00 29.97 31.12 2uva h ARG 492 CO -0.16 1.06 -0.40 0.52 0.10 0.00 0.00 179.97 181.10 2uva h MET 493 N 0.94 0.00 0.09 0.08 2.86 -1.22 -2.35 114.93 115.33 2uva h MET 493 Ca 0.15 0.00 -0.26 0.00 -2.06 0.00 0.00 59.70 57.54 2uva h MET 493 Cb 0.63 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.28 2uva h MET 493 CO 0.04 0.40 -1.32 0.82 1.06 0.00 0.00 176.91 177.90 2uva h ILE 494 N 0.00 1.05 0.00 -1.22 2.04 -1.40 -3.31 117.51 114.66 2uva h ILE 494 Ca -0.00 -2.36 0.00 0.00 1.00 0.00 0.00 64.86 63.49 2uva h ILE 494 Cb 0.76 2.68 0.00 0.00 -0.74 0.00 0.00 36.82 39.52 2uva h ILE 494 CO 0.05 0.65 -1.17 0.35 0.00 0.00 0.00 178.15 178.04 2uva n THR 495 N -4.02 0.06 0.00 -0.27 -2.24 -0.74 -2.36 114.28 104.71 2uva n THR 495 Ca -0.25 -0.18 0.00 0.00 -2.27 0.00 0.00 64.05 61.34 2uva n THR 495 Cb 0.85 0.47 0.00 0.00 -2.10 0.00 0.00 70.33 69.55 2uva n THR 495 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2uva n TYR 496 N -1.82 0.00 -3.64 4.78 9.36 -0.92 -3.32 117.16 121.60 2uva n TYR 496 Ca 0.02 0.00 -0.37 0.00 3.32 0.00 0.00 57.90 60.87 2uva n TYR 496 Cb 0.42 0.00 -0.06 0.00 -0.63 0.00 0.00 39.34 39.07 2uva n TYR 496 CO 0.00 0.00 0.00 -0.51 0.22 0.00 0.00 176.86 176.57 2uva s ASP 497 N -1.27 6.65 0.61 2.98 1.01 -0.97 -3.80 116.67 121.88 2uva s ASP 497 Ca 0.00 0.77 -0.18 0.00 0.71 0.00 0.00 52.55 53.86 2uva s ASP 497 Cb 0.00 -2.18 -0.07 0.00 1.01 0.00 0.00 42.92 41.68 2uva s ASP 497 CO 0.00 0.34 0.63 -2.65 0.21 0.00 0.00 175.17 173.69 2uva n PRO 498 N 1.75 0.54 -3.60 8.23 -0.02 -1.26 -4.44 135.00 136.20 2uva n PRO 498 Ca -0.15 0.22 -0.39 0.00 -2.02 0.00 0.00 63.50 61.15 2uva n PRO 498 Cb 0.53 -1.84 -0.07 0.00 -0.02 0.00 0.00 33.50 32.11 2uva n PRO 498 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2uva s VAL 499 N -1.72 4.34 -1.45 -1.45 1.01 -0.78 -3.91 120.40 116.45 2uva s VAL 499 Ca 0.70 -2.95 -0.13 0.00 0.00 0.00 0.00 61.98 59.60 2uva s VAL 499 Cb -0.42 -3.76 0.05 0.00 0.00 0.00 0.00 36.38 32.25 2uva s VAL 499 CO 0.53 -0.95 2.25 0.59 0.00 0.00 0.00 175.10 177.52 2uva n ASN 500 N 3.46 4.59 -0.30 3.32 5.03 -1.18 -1.91 115.26 128.27 2uva n ASN 500 Ca 0.11 -2.86 0.05 0.00 0.87 0.00 0.00 54.58 52.75 2uva n ASN 500 Cb 0.40 -1.62 0.20 0.00 -1.02 0.00 0.00 39.78 37.75 2uva n ASN 500 CO 0.00 0.00 0.00 -0.25 -1.83 0.00 0.00 177.26 175.18 2uva h TRP 501 N 5.84 0.83 0.00 3.10 2.91 -1.76 -2.09 115.95 124.78 2uva h TRP 501 Ca 0.57 0.03 -0.04 0.00 1.13 0.00 0.00 58.89 60.58 2uva h TRP 501 Cb 0.60 -0.24 -0.01 0.00 -0.51 0.00 0.00 29.16 29.00 2uva h TRP 501 CO 1.47 0.27 -0.20 1.49 -1.03 0.00 0.00 178.44 180.44 2uva h GLU 502 N 0.72 0.00 0.16 2.65 4.81 -1.80 -1.52 114.58 119.60 2uva h GLU 502 Ca 0.44 0.00 -0.23 0.00 -0.13 0.00 0.00 59.36 59.43 2uva h GLU 502 Cb 0.52 0.00 0.02 0.00 0.63 0.00 0.00 28.75 29.92 2uva h GLU 502 CO -0.31 0.20 -1.05 1.79 -0.73 0.00 0.00 179.01 178.91 2uva h THR 503 N 0.00 1.39 0.00 0.32 1.35 -1.72 -3.18 112.91 111.07 2uva h THR 503 Ca -0.00 -2.56 0.00 0.00 -0.55 0.00 0.00 66.41 63.30 2uva h THR 503 Cb 0.53 3.10 0.00 0.00 -1.73 0.00 0.00 68.15 70.05 2uva h THR 503 CO 0.03 0.74 0.00 0.00 -0.25 0.00 0.00 175.52 176.03 2uva n ALA 504 N -2.72 1.79 0.96 6.62 0.00 -1.09 -2.25 120.51 123.82 2uva n ALA 504 Ca -0.16 -0.06 0.10 0.00 0.00 0.00 0.00 53.44 53.31 2uva n ALA 504 Cb 0.90 -1.24 -0.08 0.00 0.00 0.00 0.00 19.45 19.04 2uva n ALA 504 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2uva n THR 505 N -1.33 0.00 -0.57 0.00 -1.04 -0.59 -4.72 114.28 106.03 2uva n THR 505 Ca 0.06 -0.11 -0.15 0.00 -2.04 0.00 0.00 64.05 61.82 2uva n THR 505 Cb 0.13 1.09 -0.03 0.00 -1.82 0.00 0.00 70.33 69.70 2uva n THR 505 CO 0.00 0.00 0.00 0.55 -0.64 0.00 0.00 175.07 174.98 2uva n VAL 506 N -0.96 1.83 -1.54 12.58 3.14 -0.95 -4.85 118.33 127.59 2uva n VAL 506 Ca 0.06 -1.06 -0.40 0.00 -2.96 0.00 0.00 64.34 59.98 2uva n VAL 506 Cb 0.37 -1.94 -0.05 0.00 -1.06 0.00 0.00 33.84 31.16 2uva n VAL 506 CO 0.00 0.00 0.00 0.49 -6.46 0.00 0.00 176.83 170.86 2uva n PHE 507 N 3.92 1.44 -1.84 1.45 3.72 -1.26 -4.83 117.46 120.07 2uva n PHE 507 Ca 0.32 0.13 -0.42 0.00 -0.05 0.00 0.00 57.45 57.43 2uva n PHE 507 Cb 0.19 -2.61 -0.03 0.00 -0.94 0.00 0.00 39.48 36.09 2uva n PHE 507 CO 0.00 0.00 0.00 -2.14 -0.05 0.00 0.00 176.76 174.57 2uva s PRO 508 N 7.72 4.17 -0.52 -1.08 0.02 -1.26 -3.43 135.00 140.62 2uva s PRO 508 Ca 1.05 2.42 -0.21 0.00 0.02 0.00 0.00 61.00 64.29 2uva s PRO 508 Cb -0.44 -3.73 0.03 0.00 0.02 0.00 0.00 34.50 30.38 2uva s PRO 508 CO 0.34 -0.81 0.64 -3.47 -0.33 0.00 0.00 177.00 173.37 2uva n ASP 509 N 6.11 -6.70 -4.40 2.53 -0.08 -1.26 -5.02 116.55 107.72 2uva n ASP 509 Ca 0.17 0.04 -0.23 0.00 -1.51 0.00 0.00 54.79 53.27 2uva n ASP 509 Cb 0.40 -3.61 -0.11 0.00 2.34 0.00 0.00 41.12 40.14 2uva n ASP 509 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2uva s ALA 510 N -2.29 2.38 -0.03 -1.67 0.00 -1.22 -4.82 121.76 114.11 2uva s ALA 510 Ca 0.24 -1.71 0.01 0.00 0.00 0.00 0.00 51.96 50.50 2uva s ALA 510 Cb -0.04 -0.21 -0.02 0.00 0.00 0.00 0.00 23.12 22.84 2uva s ALA 510 CO 0.82 0.24 -0.02 2.41 0.00 0.00 0.00 175.76 179.21 2uva n THR 511 N -0.23 0.19 -4.58 0.00 -1.04 -1.03 -4.56 114.28 103.03 2uva n THR 511 Ca -0.09 -0.08 -0.24 0.00 -2.04 0.00 0.00 64.05 61.61 2uva n THR 511 Cb 0.59 -0.68 -0.14 0.00 -1.82 0.00 0.00 70.33 68.28 2uva n THR 511 CO 0.00 0.00 0.00 -1.00 -0.64 0.00 0.00 175.07 173.43 2uva s HIS 512 N -2.06 1.60 -0.03 -1.42 3.76 -1.16 0.12 115.29 116.09 2uva s HIS 512 Ca -0.04 -0.36 0.01 0.00 -0.15 0.00 0.00 55.06 54.53 2uva s HIS 512 Cb 0.01 -0.96 0.02 0.00 1.11 0.00 0.00 32.58 32.76 2uva s HIS 512 CO 0.08 0.06 -0.03 0.42 -0.85 0.00 0.00 174.74 174.42 2uva s ILE 513 N -0.76 0.39 -0.26 0.60 1.01 -0.70 -1.49 121.20 119.99 2uva s ILE 513 Ca 0.06 -0.07 -0.04 0.00 0.00 0.00 0.00 60.65 60.59 2uva s ILE 513 Cb -0.08 -0.43 0.01 0.00 0.01 0.00 0.00 42.46 41.97 2uva s ILE 513 CO 0.01 0.18 0.00 -0.69 0.00 0.00 0.00 174.94 174.45 2uva s VAL 514 N 0.75 3.47 -0.50 2.92 1.01 -0.68 -1.12 120.40 126.25 2uva s VAL 514 Ca -0.09 -0.74 -0.27 0.00 0.00 0.00 0.00 61.98 60.87 2uva s VAL 514 Cb -0.12 -2.73 0.03 0.00 0.00 0.00 0.00 36.38 33.56 2uva s VAL 514 CO -0.00 0.20 1.06 -0.62 0.00 0.00 0.00 175.10 175.74 2uva s ASP 515 N 1.44 6.53 0.01 3.32 -1.08 0.67 -1.29 116.67 126.26 2uva s ASP 515 Ca 0.03 0.21 0.22 0.00 -0.52 0.00 0.00 52.55 52.49 2uva s ASP 515 Cb -0.16 -2.51 -0.07 0.00 -1.46 0.00 0.00 42.92 38.72 2uva s ASP 515 CO -0.01 -1.22 0.95 0.49 0.52 0.00 0.00 175.17 175.89 2uva n PHE 516 N 7.68 0.08 -0.46 -5.34 3.01 -0.76 -0.08 117.46 121.58 2uva n PHE 516 Ca 0.09 0.02 -0.28 0.00 1.01 0.00 0.00 57.45 58.29 2uva n PHE 516 Cb 0.49 -0.22 0.23 0.00 -0.01 0.00 0.00 39.48 39.97 2uva n PHE 516 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2uva n GLY 517 N 1.43 -2.78 3.74 1.37 0.00 -1.25 -4.61 105.19 103.10 2uva n GLY 517 Ca 0.03 -1.17 -0.41 0.00 0.00 0.00 0.00 46.02 44.47 2uva n GLY 517 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2uva s PRO 518 N -4.16 4.63 0.00 1.61 0.02 -1.26 -4.73 135.00 131.11 2uva s PRO 518 Ca 0.59 1.69 0.00 0.00 0.02 0.00 0.00 61.00 63.31 2uva s PRO 518 Cb -0.15 -3.27 0.00 0.00 0.02 0.00 0.00 34.50 31.09 2uva s PRO 518 CO 0.58 0.14 0.00 0.41 -0.33 0.00 0.00 177.00 177.80 2uva n GLY 519 N 1.91 1.53 0.00 0.52 0.00 -1.26 -3.82 105.19 104.08 2uva n GLY 519 Ca 0.02 -1.17 0.00 0.00 0.00 0.00 0.00 46.02 44.87 2uva n GLY 519 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2uva n GLY 520 N 2.64 -0.65 1.28 -0.02 0.00 -1.26 -1.15 105.19 106.04 2uva n GLY 520 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.98 2uva n GLY 520 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2uva n VAL 521 N 0.00 1.51 0.00 1.61 0.31 -1.26 -3.59 118.33 116.91 2uva n VAL 521 Ca 0.00 -0.66 0.00 0.00 -0.01 0.00 0.00 64.34 63.67 2uva n VAL 521 Cb 0.00 -0.61 -0.00 0.00 -0.91 0.00 0.00 33.84 32.31 2uva n VAL 521 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 2uva n SER 522 N 0.04 4.47 -4.57 4.52 7.64 -1.22 -4.83 113.62 119.66 2uva n SER 522 Ca 0.18 -0.04 -0.32 0.00 1.01 0.00 0.00 58.87 59.69 2uva n SER 522 Cb 0.81 1.02 0.15 0.00 -1.01 0.00 0.00 64.21 65.18 2uva n SER 522 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2uva n GLY 523 N 2.35 -0.97 0.13 0.23 0.00 -0.30 -4.81 105.19 101.82 2uva n GLY 523 Ca -0.00 -0.70 0.08 0.00 0.00 0.00 0.00 46.02 45.39 2uva n GLY 523 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2uva n ILE 524 N -3.90 1.05 -0.23 -0.61 2.08 -1.26 -1.84 119.36 114.65 2uva n ILE 524 Ca 0.10 0.70 0.02 0.00 0.56 0.00 0.00 62.75 64.13 2uva n ILE 524 Cb 0.52 -1.70 0.14 0.00 -0.75 0.00 0.00 39.64 37.86 2uva n ILE 524 CO 0.00 0.00 0.00 1.23 0.56 0.00 0.00 176.55 178.34 2uva h GLY 525 N 0.00 1.01 0.78 7.39 0.00 -1.95 -0.55 103.07 109.75 2uva h GLY 525 Ca 0.00 -0.17 -0.01 0.00 0.00 0.00 0.00 47.33 47.15 2uva h GLY 525 CO 0.00 -0.01 0.01 -2.08 0.00 0.00 0.00 176.54 174.46 2uva h VAL 526 N 0.49 1.22 0.09 4.60 2.07 -1.69 0.21 116.25 123.25 2uva h VAL 526 Ca 0.35 -0.68 0.01 0.00 0.82 0.00 0.00 66.70 67.20 2uva h VAL 526 Cb 0.44 1.49 -0.04 0.00 -1.52 0.00 0.00 31.29 31.66 2uva h VAL 526 CO -0.32 0.19 -0.40 0.25 0.02 0.00 0.00 177.57 177.32 2uva h LEU 527 N -0.08 -1.21 -1.00 2.57 6.46 -1.60 -2.41 115.31 118.04 2uva h LEU 527 Ca 0.03 0.13 0.03 0.00 -0.12 0.00 0.00 57.88 57.95 2uva h LEU 527 Cb 0.29 0.45 -0.06 0.00 -0.73 0.00 0.00 40.66 40.61 2uva h LEU 527 CO 0.00 -0.42 0.66 0.71 -0.62 0.00 0.00 178.44 178.77 2uva h THR 528 N -0.57 1.20 -0.81 1.05 1.35 -1.13 -0.42 112.91 113.58 2uva h THR 528 Ca -0.00 -0.44 0.22 0.00 -0.55 0.00 0.00 66.41 65.63 2uva h THR 528 Cb 0.57 -0.21 -0.04 0.00 -1.73 0.00 0.00 68.15 66.74 2uva h THR 528 CO -0.22 0.24 0.57 -1.13 -0.25 0.00 0.00 175.52 174.73 2uva h ASN 529 N 1.29 0.10 -0.02 5.36 -0.73 -0.47 0.32 115.58 121.44 2uva h ASN 529 Ca 0.39 0.01 -0.02 0.00 1.87 0.00 0.00 56.30 58.55 2uva h ASN 529 Cb -0.04 -0.01 0.00 0.00 0.27 0.00 0.00 38.32 38.54 2uva h ASN 529 CO -0.11 0.04 -0.08 0.03 -0.37 0.00 0.00 177.43 176.94 2uva h ARG 530 N 0.11 0.09 -1.27 6.67 3.08 -0.67 -2.60 114.38 119.78 2uva h ARG 530 Ca 0.39 -0.07 0.37 0.00 0.07 0.00 0.00 59.98 60.75 2uva h ARG 530 Cb 1.40 0.01 -0.09 0.00 0.08 0.00 0.00 29.97 31.38 2uva h ARG 530 CO -0.05 0.73 0.86 -0.91 -1.07 0.00 0.00 179.97 179.53 2uva h ASN 531 N -0.53 0.21 -2.13 7.04 2.35 0.04 -2.89 115.58 119.68 2uva h ASN 531 Ca -0.01 0.07 -0.54 0.00 -0.55 0.00 0.00 56.30 55.27 2uva h ASN 531 Cb 0.74 0.04 -0.41 0.00 0.05 0.00 0.00 38.32 38.74 2uva h ASN 531 CO 0.02 -0.03 -0.94 0.29 -1.65 0.00 0.00 177.43 175.12 2uva n LYS 532 N -4.44 1.95 0.02 0.81 5.02 -0.05 -4.85 118.16 116.63 2uva n LYS 532 Ca 0.31 -4.04 -0.22 0.00 -2.02 0.00 0.00 58.31 52.35 2uva n LYS 532 Cb 1.28 -1.92 -0.14 0.00 -0.02 0.00 0.00 35.03 34.23 2uva n LYS 532 CO 0.00 0.00 0.00 0.22 -0.52 0.00 0.00 177.40 177.10 2uva h ASP 533 N 3.13 0.45 -0.60 4.39 3.58 -1.24 -3.36 116.42 122.77 2uva h ASP 533 Ca 0.12 -0.96 0.00 0.00 0.42 0.00 0.00 57.03 56.61 2uva h ASP 533 Cb 0.76 -0.15 -0.03 0.00 1.72 0.00 0.00 39.33 41.63 2uva h ASP 533 CO 0.64 1.85 0.38 1.23 -2.88 0.00 0.00 179.24 180.46 2uva h GLY 534 N 1.01 0.86 2.00 -0.78 0.00 -1.86 -3.22 103.07 101.09 2uva h GLY 534 Ca -0.41 -0.34 0.00 0.00 0.00 0.00 0.00 47.33 46.57 2uva h GLY 534 CO 0.10 0.34 0.00 -0.91 0.00 0.00 0.00 176.54 176.07 2uva h THR 535 N 0.81 0.00 0.00 4.70 1.35 -1.82 -3.30 112.91 114.65 2uva h THR 535 Ca 0.22 -0.31 0.00 0.00 -0.55 0.00 0.00 66.41 65.77 2uva h THR 535 Cb -0.05 1.12 0.00 0.00 -1.73 0.00 0.00 68.15 67.49 2uva h THR 535 CO -0.04 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.84 2uva n GLY 536 N -0.06 1.21 3.64 5.82 0.00 -1.22 -4.55 105.19 110.03 2uva n GLY 536 Ca 0.01 -0.36 -0.41 0.00 0.00 0.00 0.00 46.02 45.26 2uva n GLY 536 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2uva s VAL 537 N -2.00 4.92 0.45 1.61 1.01 -1.26 -3.84 120.40 121.29 2uva s VAL 537 Ca 0.00 1.35 -0.11 0.00 0.00 0.00 0.00 61.98 63.23 2uva s VAL 537 Cb 0.00 -4.02 -0.06 0.00 0.00 0.00 0.00 36.38 32.30 2uva s VAL 537 CO 0.00 0.00 0.83 -0.60 0.00 0.00 0.00 175.10 175.33 2uva s ARG 538 N 2.51 3.75 0.03 2.72 6.06 0.12 -4.74 118.95 129.40 2uva s ARG 538 Ca 0.31 0.53 0.04 0.00 -2.50 0.00 0.00 55.73 54.11 2uva s ARG 538 Cb -0.16 -2.32 -0.02 0.00 0.06 0.00 0.00 34.95 32.51 2uva s ARG 538 CO 0.09 -0.15 -0.13 0.08 -2.50 0.00 0.00 175.30 172.69 2uva s VAL 539 N -2.54 0.98 -0.05 7.11 1.01 -1.26 -1.72 120.40 123.93 2uva s VAL 539 Ca 0.52 -0.92 0.02 0.00 0.00 0.00 0.00 61.98 61.60 2uva s VAL 539 Cb -0.10 -0.90 0.02 0.00 0.00 0.00 0.00 36.38 35.40 2uva s VAL 539 CO 0.35 -0.01 -0.08 -0.63 0.00 0.00 0.00 175.10 174.73 2uva s ILE 540 N -0.82 0.78 -0.47 2.22 1.01 -0.28 -1.60 121.20 122.05 2uva s ILE 540 Ca 0.01 -0.27 -0.18 0.00 0.00 0.00 0.00 60.65 60.20 2uva s ILE 540 Cb -0.07 -0.75 0.04 0.00 0.01 0.00 0.00 42.46 41.69 2uva s ILE 540 CO 0.01 0.28 0.55 -0.76 0.00 0.00 0.00 174.94 175.01 2uva s LEU 541 N 0.79 4.94 0.46 2.97 1.43 -0.49 -0.24 118.68 128.54 2uva s LEU 541 Ca -0.13 -0.81 0.24 0.00 -1.03 0.00 0.00 54.13 52.41 2uva s LEU 541 Cb -0.15 -2.44 1.05 0.00 0.03 0.00 0.00 46.19 44.68 2uva s LEU 541 CO 0.02 -0.76 1.89 0.00 0.23 0.00 0.00 176.35 177.73 2uva h ALA 542 N 8.87 1.10 -0.48 4.21 0.00 -0.81 -2.76 119.26 129.39 2uva h ALA 542 Ca -0.27 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.37 2uva h ALA 542 Cb 1.10 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 2uva h ALA 542 CO 0.89 0.27 -0.02 0.78 0.00 0.00 0.00 179.25 181.17 2uva h GLY 543 N 1.68 0.87 -3.24 0.00 0.00 -1.86 -3.41 103.07 97.11 2uva h GLY 543 Ca -0.00 -0.60 -0.64 0.00 0.00 0.00 0.00 47.33 46.09 2uva h GLY 543 CO 0.03 0.55 -0.78 0.00 0.00 0.00 0.00 176.54 176.34 2uva s ALA 544 N -4.95 2.69 0.04 3.60 0.00 -1.22 -4.99 121.76 116.93 2uva s ALA 544 Ca -0.10 -1.59 -0.06 0.00 0.00 0.00 0.00 51.96 50.21 2uva s ALA 544 Cb 0.14 -0.48 -0.30 0.00 0.00 0.00 0.00 23.12 22.49 2uva s ALA 544 CO 0.82 0.44 1.00 0.82 0.00 0.00 0.00 175.76 178.83 2uva h ILE 545 N 3.00 1.32 -1.98 0.00 2.04 -1.88 0.69 117.51 120.71 2uva h ILE 545 Ca -0.46 -2.89 -0.05 0.00 1.00 0.00 0.00 64.86 62.46 2uva h ILE 545 Cb 1.21 2.89 -0.19 0.00 -0.74 0.00 0.00 36.82 39.99 2uva h ILE 545 CO 0.51 0.85 0.21 -0.62 0.00 0.00 0.00 178.15 179.09 2uva s ASP 546 N -7.17 -0.65 0.00 1.72 -1.08 -1.26 -4.29 116.67 103.94 2uva s ASP 546 Ca -0.07 0.73 0.00 0.00 -0.52 0.00 0.00 52.55 52.69 2uva s ASP 546 Cb 0.06 0.56 0.00 0.00 -1.46 0.00 0.00 42.92 42.08 2uva s ASP 546 CO 0.88 -0.58 0.00 0.61 0.52 0.00 0.00 175.17 176.60 2uva n GLY 547 N 0.96 3.87 0.02 2.66 0.00 -1.26 -5.00 105.19 106.44 2uva n GLY 547 Ca -0.18 -1.25 0.13 0.00 0.00 0.00 0.00 46.02 44.72 2uva n GLY 547 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2uva n THR 548 N 0.00 0.12 -3.30 2.61 -2.24 -1.26 -4.85 114.28 105.36 2uva n THR 548 Ca 0.00 -0.08 -0.38 0.00 -2.27 0.00 0.00 64.05 61.32 2uva n THR 548 Cb 0.00 -0.12 -0.06 0.00 -2.10 0.00 0.00 70.33 68.05 2uva n THR 548 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 2uva s ASN 549 N -3.36 6.74 -0.81 3.42 3.04 -1.26 -5.02 114.94 117.69 2uva s ASN 549 Ca 0.11 0.88 0.02 0.00 0.04 0.00 0.00 52.86 53.90 2uva s ASN 549 Cb 0.17 -2.30 0.20 0.00 -1.54 0.00 0.00 41.25 37.78 2uva s ASN 549 CO 0.64 0.02 0.66 0.41 -3.04 0.00 0.00 177.10 175.79 2uva n THR 550 N 3.50 2.38 -0.77 -5.21 -1.04 -1.26 -4.41 114.28 107.48 2uva n THR 550 Ca -0.07 -5.01 0.00 0.00 -2.04 0.00 0.00 64.05 56.93 2uva n THR 550 Cb 0.52 -2.28 0.00 0.00 -1.82 0.00 0.00 70.33 66.74 2uva n THR 550 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 2uva n GLU 551 N 2.10 0.00 -3.93 -2.82 2.13 -1.26 -5.10 120.64 111.75 2uva n GLU 551 Ca 0.21 0.00 -0.16 0.00 0.66 0.00 0.00 57.16 57.87 2uva n GLU 551 Cb 0.36 0.00 -0.16 0.00 0.27 0.00 0.00 31.44 31.91 2uva n GLU 551 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 2uva s VAL 552 N 0.00 0.15 0.70 6.31 1.01 -1.26 -4.70 120.40 122.61 2uva s VAL 552 Ca 0.00 0.06 -0.08 0.00 0.00 0.00 0.00 61.98 61.97 2uva s VAL 552 Cb 0.00 -0.23 0.05 0.00 0.00 0.00 0.00 36.38 36.20 2uva s VAL 552 CO 0.00 0.12 1.03 -0.83 0.00 0.00 0.00 175.10 175.42 2uva s GLY 553 N 0.81 1.65 0.00 4.51 0.00 -0.63 -4.94 107.32 108.72 2uva s GLY 553 Ca -0.08 -0.79 0.00 0.00 0.00 0.00 0.00 44.72 43.85 2uva s GLY 553 CO -0.02 -0.40 0.00 -1.72 0.00 0.00 0.00 173.10 170.97 2uva n TYR 554 N -2.94 0.00 -0.26 1.90 4.02 -1.26 -1.40 117.16 117.23 2uva n TYR 554 Ca 0.07 0.00 -0.00 0.00 -0.01 0.00 0.00 57.90 57.96 2uva n TYR 554 Cb 0.60 0.00 0.06 0.00 -0.02 0.00 0.00 39.34 39.98 2uva n TYR 554 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 176.86 175.63 2uva h LYS 555 N 0.00 -0.04 0.00 -0.72 3.64 -0.54 -1.46 116.57 117.44 2uva h LYS 555 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2uva h LYS 555 Cb 0.00 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.83 2uva h LYS 555 CO 0.00 -0.03 0.00 -2.30 -2.27 0.00 0.00 179.45 174.85 2uva n PRO 556 N -5.48 0.06 -0.10 1.90 -0.02 -1.26 -1.68 135.00 128.43 2uva n PRO 556 Ca 0.09 0.46 0.02 0.00 -2.02 0.00 0.00 63.50 62.04 2uva n PRO 556 Cb 0.38 -1.66 0.06 0.00 -0.02 0.00 0.00 33.50 32.26 2uva n PRO 556 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2uva n GLU 557 N -1.79 1.43 -0.00 -0.52 1.02 -0.55 -2.95 120.64 117.29 2uva n GLU 557 Ca 0.01 -0.50 0.01 0.00 -0.02 0.00 0.00 57.16 56.66 2uva n GLU 557 Cb 0.09 -1.28 -0.01 0.00 -0.02 0.00 0.00 31.44 30.21 2uva n GLU 557 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2uva n LEU 558 N -0.04 0.03 -3.50 -4.62 4.77 -0.67 -4.87 117.00 108.10 2uva n LEU 558 Ca 0.05 -0.19 -0.27 0.00 -0.03 0.00 0.00 56.01 55.57 2uva n LEU 558 Cb 0.21 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.21 2uva n LEU 558 CO 0.04 0.01 -0.16 0.49 -1.33 0.00 0.00 177.39 176.43 2uva n PHE 559 N -1.38 1.19 -4.11 -1.77 3.01 -1.15 -4.49 117.46 108.76 2uva n PHE 559 Ca -0.00 -3.80 -0.12 0.00 1.01 0.00 0.00 57.45 54.54 2uva n PHE 559 Cb 0.04 -0.26 -0.11 0.00 -0.01 0.00 0.00 39.48 39.15 2uva n PHE 559 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 2uva s ASP 560 N -1.07 1.01 -0.01 4.37 -1.08 -1.26 -4.14 116.67 114.49 2uva s ASP 560 Ca 0.32 -0.74 0.03 0.00 -0.52 0.00 0.00 52.55 51.64 2uva s ASP 560 Cb 0.06 0.06 -0.04 0.00 -1.46 0.00 0.00 42.92 41.54 2uva s ASP 560 CO -0.14 -0.30 0.05 0.54 0.52 0.00 0.00 175.17 175.84 2uva n ARG 561 N 0.85 0.97 -1.80 4.34 1.74 -1.26 -0.83 116.66 120.67 2uva n ARG 561 Ca -0.18 -0.02 -0.36 0.00 -0.77 0.00 0.00 57.85 56.52 2uva n ARG 561 Cb 0.57 -1.07 0.06 0.00 -1.02 0.00 0.00 32.46 31.00 2uva n ARG 561 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2uva s ASP 562 N -2.58 4.81 0.32 0.55 1.01 -1.26 -4.81 116.67 114.72 2uva s ASP 562 Ca -0.01 2.41 0.15 0.00 0.71 0.00 0.00 52.55 55.80 2uva s ASP 562 Cb 0.02 -2.60 0.50 0.00 1.01 0.00 0.00 42.92 41.85 2uva s ASP 562 CO 0.12 -1.85 1.67 0.44 0.21 0.00 0.00 175.17 175.75 2uva h ASP 563 N 0.47 0.00 -0.06 0.27 3.32 -1.99 -2.97 116.42 115.46 2uva h ASP 563 Ca -0.50 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.55 2uva h ASP 563 Cb 1.30 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.85 2uva h ASP 563 CO 0.53 0.50 0.00 0.59 -1.72 0.00 0.00 179.24 179.14 2uva n ASN 564 N -3.66 0.44 0.00 6.45 3.02 -1.26 -4.24 115.26 116.01 2uva n ASN 564 Ca -0.01 -1.71 0.10 0.00 -0.03 0.00 0.00 54.58 52.93 2uva n ASN 564 Cb 0.57 -0.04 0.57 0.00 -0.61 0.00 0.00 39.78 40.27 2uva n ASN 564 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2uva n ALA 565 N -0.40 2.59 -2.93 5.41 0.00 -1.12 -4.78 120.51 119.28 2uva n ALA 565 Ca 0.09 -0.12 -0.33 0.00 0.00 0.00 0.00 53.44 53.09 2uva n ALA 565 Cb 0.11 -1.31 -0.14 0.00 0.00 0.00 0.00 19.45 18.10 2uva n ALA 565 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2uva s VAL 566 N -2.00 3.08 -0.03 0.00 1.01 -1.26 -4.86 120.40 116.33 2uva s VAL 566 Ca 0.29 -0.67 -0.00 0.00 0.00 0.00 0.00 61.98 61.60 2uva s VAL 566 Cb 0.13 -2.27 -0.04 0.00 0.00 0.00 0.00 36.38 34.21 2uva s VAL 566 CO 0.22 0.54 0.03 -1.10 0.00 0.00 0.00 175.10 174.80 2uva s GLN 567 N 0.08 2.95 -0.21 2.72 -1.52 -1.26 -5.11 119.66 117.31 2uva s GLN 567 Ca -0.05 -0.50 0.01 0.00 -1.95 0.00 0.00 55.36 52.87 2uva s GLN 567 Cb -0.15 -2.78 0.05 0.00 -0.22 0.00 0.00 33.01 29.91 2uva s GLN 567 CO 0.04 0.66 -0.10 -0.06 -0.25 0.00 0.00 175.29 175.58 2uva s PHE 568 N -1.07 2.48 0.20 0.91 0.40 -1.26 -4.92 117.98 114.72 2uva s PHE 568 Ca 0.19 -1.66 -0.32 0.00 -0.60 0.00 0.00 56.93 54.54 2uva s PHE 568 Cb -0.12 -1.66 -0.11 0.00 0.51 0.00 0.00 43.02 41.65 2uva s PHE 568 CO 0.09 -0.76 1.67 0.00 0.70 0.00 0.00 175.22 176.92 2uva s ALA 569 N 1.37 3.88 0.37 5.36 0.00 -1.25 -4.95 121.76 126.55 2uva s ALA 569 Ca -0.02 1.52 -0.18 0.00 0.00 0.00 0.00 51.96 53.28 2uva s ALA 569 Cb -0.17 -3.67 -0.10 0.00 0.00 0.00 0.00 23.12 19.18 2uva s ALA 569 CO -0.08 -0.88 0.84 0.14 0.00 0.00 0.00 175.76 175.78 2uva s VAL 570 N 1.11 4.54 -0.25 0.00 -7.23 -1.26 -4.16 120.40 113.15 2uva s VAL 570 Ca 0.73 1.22 -0.10 0.00 -1.81 0.00 0.00 61.98 62.02 2uva s VAL 570 Cb -0.48 -3.61 -0.04 0.00 0.56 0.00 0.00 36.38 32.80 2uva s VAL 570 CO 0.32 -0.24 0.14 -0.62 -0.31 0.00 0.00 175.10 174.39 2uva s ASP 571 N -2.21 5.81 0.54 4.85 2.15 -1.26 -3.44 116.67 123.12 2uva s ASP 571 Ca 0.58 -0.00 0.25 0.00 0.43 0.00 0.00 52.55 53.81 2uva s ASP 571 Cb -0.10 -2.05 1.55 0.00 -0.30 0.00 0.00 42.92 42.02 2uva s ASP 571 CO 0.15 0.02 2.16 -0.50 -0.17 0.00 0.00 175.17 176.83 2uva h TRP 572 N 7.87 0.00 -0.37 -5.34 6.55 -1.86 0.53 115.95 123.34 2uva h TRP 572 Ca -0.37 0.00 -0.07 0.00 0.95 0.00 0.00 58.89 59.40 2uva h TRP 572 Cb 1.18 0.00 -0.01 0.00 -0.86 0.00 0.00 29.16 29.47 2uva h TRP 572 CO 0.69 0.06 -0.06 0.28 -1.05 0.00 0.00 178.44 178.35 2uva h VAL 573 N 0.00 1.27 0.30 1.49 2.07 -1.86 0.51 116.25 120.02 2uva h VAL 573 Ca -0.00 -1.11 -0.01 0.00 0.82 0.00 0.00 66.70 66.39 2uva h VAL 573 Cb 0.14 1.25 0.00 0.00 -1.52 0.00 0.00 31.29 31.16 2uva h VAL 573 CO 0.01 0.37 -0.14 0.11 0.02 0.00 0.00 177.57 177.93 2uva h LYS 574 N 0.49 -0.38 -0.12 1.57 1.57 -1.43 -0.62 116.57 117.65 2uva h LYS 574 Ca 0.10 0.03 -0.10 0.00 -1.87 0.00 0.00 60.65 58.80 2uva h LYS 574 Cb 0.56 0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.96 2uva h LYS 574 CO 0.03 -0.12 -0.31 1.49 -0.57 0.00 0.00 179.45 179.97 2uva h GLU 575 N -0.61 0.43 -0.15 3.15 4.57 -0.02 -3.35 114.58 118.61 2uva h GLU 575 Ca -0.04 -0.29 0.00 0.00 -1.18 0.00 0.00 59.36 57.85 2uva h GLU 575 Cb 0.44 0.04 0.00 0.00 -0.16 0.00 0.00 28.75 29.07 2uva h GLU 575 CO 0.07 0.91 0.00 0.72 -1.18 0.00 0.00 179.01 179.52 2uva n HIS 576 N -4.40 0.29 -1.96 0.92 8.25 0.18 -5.03 115.22 113.47 2uva n HIS 576 Ca -0.07 -0.64 -0.39 0.00 -0.26 0.00 0.00 57.72 56.35 2uva n HIS 576 Cb 0.48 -0.10 0.01 0.00 1.12 0.00 0.00 29.99 31.50 2uva n HIS 576 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 2uva s GLY 577 N -1.47 2.92 0.86 -1.41 0.00 -0.24 -4.76 107.32 103.22 2uva s GLY 577 Ca 0.19 1.31 -0.12 0.00 0.00 0.00 0.00 44.72 46.10 2uva s GLY 577 CO 0.07 1.90 1.16 -1.05 0.00 0.00 0.00 173.10 175.18 2uva n PRO 578 N -0.06 -0.09 -4.08 2.90 -0.02 -1.26 -4.93 135.00 127.47 2uva n PRO 578 Ca 0.05 0.05 -0.15 0.00 -2.02 0.00 0.00 63.50 61.43 2uva n PRO 578 Cb 0.43 -2.40 -0.04 0.00 -0.02 0.00 0.00 33.50 31.48 2uva n PRO 578 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2uva s ARG 579 N -4.30 1.95 0.09 -0.52 0.52 -0.89 -4.96 118.95 110.83 2uva s ARG 579 Ca 0.70 -1.76 0.07 0.00 -0.52 0.00 0.00 55.73 54.22 2uva s ARG 579 Cb -0.27 0.45 -0.03 0.00 0.52 0.00 0.00 34.95 35.63 2uva s ARG 579 CO 0.54 -0.81 -0.18 -0.51 0.02 0.00 0.00 175.30 174.36 2uva s LEU 580 N -3.24 2.29 0.03 2.53 1.43 -1.26 -0.04 118.68 120.42 2uva s LEU 580 Ca 0.30 -0.66 -0.23 0.00 -1.03 0.00 0.00 54.13 52.51 2uva s LEU 580 Cb -0.01 -0.71 0.05 0.00 0.03 0.00 0.00 46.19 45.56 2uva s LEU 580 CO 0.20 -0.01 0.53 -0.69 0.23 0.00 0.00 176.35 176.62 2uva s VAL 581 N -1.23 0.03 0.09 -1.59 1.01 -1.04 -4.52 120.40 113.14 2uva s VAL 581 Ca 0.03 -0.22 0.08 0.00 0.00 0.00 0.00 61.98 61.86 2uva s VAL 581 Cb -0.10 -0.95 -0.03 0.00 0.00 0.00 0.00 36.38 35.29 2uva s VAL 581 CO 0.03 -0.12 -0.19 -0.54 0.00 0.00 0.00 175.10 174.28 2uva s LYS 582 N -2.20 1.06 0.60 2.72 1.02 -0.92 -0.97 119.74 121.05 2uva s LYS 582 Ca -0.07 -1.11 -0.04 0.00 0.02 0.00 0.00 55.97 54.77 2uva s LYS 582 Cb -0.01 -1.27 0.03 0.00 -0.52 0.00 0.00 37.83 36.06 2uva s LYS 582 CO 0.00 0.29 0.88 0.95 -0.92 0.00 0.00 175.35 176.56 2uva s THR 583 N -1.18 3.06 -1.51 2.17 -4.23 -0.45 -0.74 115.64 112.77 2uva s THR 583 Ca 0.05 -0.29 0.09 0.00 -1.18 0.00 0.00 61.69 60.35 2uva s THR 583 Cb -0.10 -3.22 0.16 0.00 1.34 0.00 0.00 72.50 70.69 2uva s THR 583 CO 0.04 -0.20 1.12 -0.24 -0.54 0.00 0.00 174.62 174.80 2uva n SER 584 N -2.57 0.00 -0.63 3.99 2.88 0.68 -0.29 113.62 117.68 2uva n SER 584 Ca 0.06 0.10 0.06 0.00 -1.33 0.00 0.00 58.87 57.76 2uva n SER 584 Cb 0.59 -0.24 0.13 0.00 -0.75 0.00 0.00 64.21 63.94 2uva n SER 584 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 2uva n VAL 585 N -1.24 1.48 -3.06 2.46 0.31 -1.26 -5.02 118.33 111.99 2uva n VAL 585 Ca 0.04 -2.24 -0.17 0.00 -0.01 0.00 0.00 64.34 61.96 2uva n VAL 585 Cb 0.06 0.07 0.04 0.00 -0.91 0.00 0.00 33.84 33.11 2uva n VAL 585 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2uva n GLY 586 N -0.77 -0.17 3.94 2.92 0.00 0.60 -5.03 105.19 106.68 2uva n GLY 586 Ca 0.14 -0.05 -0.25 0.00 0.00 0.00 0.00 46.02 45.86 2uva n GLY 586 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2uva s GLN 587 N -5.68 3.16 -0.07 1.61 -0.21 -1.26 -4.80 119.66 112.41 2uva s GLN 587 Ca 0.33 -0.26 0.04 0.00 0.02 0.00 0.00 55.36 55.48 2uva s GLN 587 Cb -0.14 -2.48 0.00 0.00 1.00 0.00 0.00 33.01 31.39 2uva s GLN 587 CO 0.41 -0.30 -0.18 0.99 -2.12 0.00 0.00 175.29 174.08 2uva s THR 588 N -2.65 1.60 -0.14 -0.19 2.01 -1.26 -1.33 115.64 113.68 2uva s THR 588 Ca 0.48 -0.77 0.01 0.00 0.31 0.00 0.00 61.69 61.72 2uva s THR 588 Cb -0.10 -1.40 0.02 0.00 0.01 0.00 0.00 72.50 71.03 2uva s THR 588 CO 0.40 0.46 -0.15 -0.36 -0.69 0.00 0.00 174.62 174.28 2uva s PHE 589 N 0.36 2.15 -0.30 4.92 2.99 -0.15 -4.98 117.98 122.98 2uva s PHE 589 Ca -0.13 -1.15 -0.27 0.00 0.00 0.00 0.00 56.93 55.37 2uva s PHE 589 Cb -0.16 -1.57 -0.06 0.00 0.00 0.00 0.00 43.02 41.24 2uva s PHE 589 CO 0.05 -0.62 2.29 0.28 -0.00 0.00 0.00 175.22 177.23 2uva n VAL 590 N 4.57 0.21 -2.56 -0.44 0.31 -1.26 -2.50 118.33 116.65 2uva n VAL 590 Ca -0.18 -0.57 -0.43 0.00 -0.01 0.00 0.00 64.34 63.15 2uva n VAL 590 Cb 0.50 -2.64 -0.02 0.00 -0.91 0.00 0.00 33.84 30.77 2uva n VAL 590 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2uva s ASP 591 N 9.54 6.71 0.28 4.52 2.15 0.94 -4.51 116.67 136.30 2uva s ASP 591 Ca 1.00 0.79 0.03 0.00 0.43 0.00 0.00 52.55 54.80 2uva s ASP 591 Cb -0.29 -2.55 -0.04 0.00 -0.30 0.00 0.00 42.92 39.75 2uva s ASP 591 CO 0.32 -1.13 0.18 0.42 -0.17 0.00 0.00 175.17 174.80 2uva s THR 592 N 4.28 0.16 0.34 1.71 -4.23 -1.26 -2.10 115.64 114.54 2uva s THR 592 Ca 0.50 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 59.04 2uva s THR 592 Cb -0.11 -2.51 0.20 0.00 1.34 0.00 0.00 72.50 71.42 2uva s THR 592 CO 0.25 0.00 1.92 0.11 -0.54 0.00 0.00 174.62 176.37 2uva h LYS 593 N 2.31 0.66 0.36 3.99 1.57 -1.94 -1.46 116.57 122.07 2uva h LYS 593 Ca -0.32 -0.10 -0.02 0.00 -1.87 0.00 0.00 60.65 58.34 2uva h LYS 593 Cb 1.25 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 33.44 2uva h LYS 593 CO 0.49 0.56 -0.17 1.98 -0.57 0.00 0.00 179.45 181.74 2uva h MET 594 N 0.65 -0.46 -0.34 3.15 4.05 -1.95 -0.60 114.93 119.43 2uva h MET 594 Ca 0.16 0.03 -0.04 0.00 -0.28 0.00 0.00 59.70 59.57 2uva h MET 594 Cb 0.16 0.11 -0.02 0.00 -0.80 0.00 0.00 31.60 31.05 2uva h MET 594 CO -0.01 -0.14 0.03 0.66 0.23 0.00 0.00 176.91 177.67 2uva h SER 595 N -0.91 0.48 0.16 1.39 4.64 -1.71 0.23 113.55 117.83 2uva h SER 595 Ca -0.05 -0.08 -0.20 0.00 -0.47 0.00 0.00 61.79 60.99 2uva h SER 595 Cb 0.53 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 62.50 2uva h SER 595 CO 0.08 0.53 -0.78 -0.09 -0.87 0.00 0.00 176.83 175.70 2uva h ARG 596 N 0.50 0.51 0.09 4.77 2.43 -1.29 0.51 114.38 121.89 2uva h ARG 596 Ca 0.11 -0.44 -0.00 0.00 -0.81 0.00 0.00 59.98 58.84 2uva h ARG 596 Cb 0.28 0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.93 2uva h ARG 596 CO 0.01 1.07 -0.04 1.25 -1.51 0.00 0.00 179.97 180.75 2uva h LEU 597 N 0.34 -0.10 -0.59 3.80 7.12 -0.32 -3.33 115.31 122.23 2uva h LEU 597 Ca -0.05 0.00 0.03 0.00 0.13 0.00 0.00 57.88 58.00 2uva h LEU 597 Cb 1.38 0.03 -0.04 0.00 -0.53 0.00 0.00 40.66 41.49 2uva h LEU 597 CO 0.14 -0.06 0.34 -0.07 -0.13 0.00 0.00 178.44 178.66 2uva h LEU 598 N -0.13 0.55 -0.02 2.25 3.38 -0.65 -3.47 115.31 117.21 2uva h LEU 598 Ca -0.01 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2uva h LEU 598 Cb 0.09 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.74 2uva h LEU 598 CO 0.02 0.38 0.00 0.61 0.09 0.00 0.00 178.44 179.54 2uva n GLY 599 N -1.26 1.42 3.77 0.83 0.00 0.17 -4.85 105.19 105.27 2uva n GLY 599 Ca 0.06 -0.03 -0.04 0.00 0.00 0.00 0.00 46.02 46.01 2uva n GLY 599 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2uva s VAL 600 N -2.02 0.00 0.09 1.61 1.01 -0.79 -4.68 120.40 115.61 2uva s VAL 600 Ca 0.00 -0.71 -0.36 0.00 0.00 0.00 0.00 61.98 60.90 2uva s VAL 600 Cb 0.00 -1.99 -0.18 0.00 0.00 0.00 0.00 36.38 34.22 2uva s VAL 600 CO 0.00 0.00 1.14 -2.65 0.00 0.00 0.00 175.10 173.59 2uva n PRO 601 N -0.47 0.67 0.00 2.72 -0.02 -1.26 -4.16 135.00 132.48 2uva n PRO 601 Ca -0.06 0.24 0.00 0.00 -2.02 0.00 0.00 63.50 61.66 2uva n PRO 601 Cb 0.60 -1.75 0.00 0.00 -0.02 0.00 0.00 33.50 32.33 2uva n PRO 601 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2uva n PRO 602 N 1.88 0.31 -3.66 0.52 -0.02 -1.26 -4.51 135.00 128.26 2uva n PRO 602 Ca 0.18 0.00 -0.36 0.00 -2.02 0.00 0.00 63.50 61.30 2uva n PRO 602 Cb 0.17 -1.01 -0.08 0.00 -0.02 0.00 0.00 33.50 32.56 2uva n PRO 602 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2uva s VAL 603 N -1.96 5.37 -0.01 -1.45 1.01 -1.26 -1.26 120.40 120.84 2uva s VAL 603 Ca 0.00 0.28 0.01 0.00 0.00 0.00 0.00 61.98 62.27 2uva s VAL 603 Cb 0.00 -3.52 0.00 0.00 0.00 0.00 0.00 36.38 32.86 2uva s VAL 603 CO 0.00 0.40 -0.02 -0.32 0.00 0.00 0.00 175.10 175.16 2uva s MET 604 N 0.60 0.23 -0.27 2.72 0.00 -0.77 -4.38 119.30 117.43 2uva s MET 604 Ca 0.10 -0.06 -0.24 0.00 0.00 0.00 0.00 55.69 55.49 2uva s MET 604 Cb -0.12 -0.25 -0.00 0.00 0.00 0.00 0.00 34.83 34.45 2uva s MET 604 CO 0.01 0.02 0.81 0.08 0.00 0.00 0.00 175.02 175.94 2uva s VAL 605 N 0.12 4.82 0.56 10.11 1.01 -0.93 -0.01 120.40 136.08 2uva s VAL 605 Ca -0.01 1.40 -0.17 0.00 0.00 0.00 0.00 61.98 63.20 2uva s VAL 605 Cb -0.03 -4.12 -0.05 0.00 0.00 0.00 0.00 36.38 32.17 2uva s VAL 605 CO -0.00 -0.14 1.05 0.00 0.00 0.00 0.00 175.10 176.01 2uva s ALA 606 N 2.88 2.78 0.09 5.51 0.00 0.11 -2.93 121.76 130.20 2uva s ALA 606 Ca 0.34 0.49 -0.31 0.00 0.00 0.00 0.00 51.96 52.47 2uva s ALA 606 Cb -0.15 -3.25 -0.07 0.00 0.00 0.00 0.00 23.12 19.66 2uva s ALA 606 CO 0.10 -0.65 1.36 0.20 0.00 0.00 0.00 175.76 176.77 2uva s GLY 607 N -2.47 2.03 -0.05 0.00 0.00 -1.25 -4.66 107.32 100.92 2uva s GLY 607 Ca 0.65 1.03 -0.00 0.00 0.00 0.00 0.00 44.72 46.40 2uva s GLY 607 CO 0.31 2.32 -0.01 1.06 0.00 0.00 0.00 173.10 176.77 2uva s MET 608 N 1.30 0.60 0.00 2.90 -1.94 -1.26 -4.96 119.30 115.94 2uva s MET 608 Ca 0.63 0.03 0.00 0.00 -1.71 0.00 0.00 55.69 54.65 2uva s MET 608 Cb -0.35 -0.80 0.00 0.00 2.01 0.00 0.00 34.83 35.69 2uva s MET 608 CO 0.29 -0.19 0.96 0.25 -0.01 0.00 0.00 175.02 176.32 2uva n THR 609 N 4.54 0.00 0.23 2.05 -2.24 -1.26 0.50 114.28 118.09 2uva n THR 609 Ca -0.18 1.46 -0.16 0.00 -2.27 0.00 0.00 64.05 62.90 2uva n THR 609 Cb 0.50 -2.10 -0.08 0.00 -2.10 0.00 0.00 70.33 66.55 2uva n THR 609 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 2uva h PRO 610 N 0.00 -0.75 0.18 -0.78 0.11 -1.96 -2.93 132.00 125.86 2uva h PRO 610 Ca 0.00 0.05 -0.32 0.00 0.11 0.00 0.00 66.00 65.85 2uva h PRO 610 Cb 0.00 0.17 0.01 0.00 0.11 0.00 0.00 31.00 31.29 2uva h PRO 610 CO 0.00 -0.50 -1.48 1.79 -0.21 0.00 0.00 178.00 177.60 2uva h THR 611 N -0.78 1.25 -0.31 -1.15 1.35 -2.00 -3.30 112.91 107.97 2uva h THR 611 Ca -0.02 -2.79 0.00 0.00 -0.55 0.00 0.00 66.41 63.04 2uva h THR 611 Cb 0.71 2.90 0.00 0.00 -1.73 0.00 0.00 68.15 70.03 2uva h THR 611 CO -0.08 0.84 0.00 0.41 -0.25 0.00 0.00 175.52 176.44 2uva n THR 612 N -3.58 1.23 -0.05 6.82 -1.04 0.18 -4.16 114.28 113.68 2uva n THR 612 Ca -0.16 -0.67 -0.21 0.00 -2.04 0.00 0.00 64.05 60.97 2uva n THR 612 Cb 1.06 -0.26 -0.13 0.00 -1.82 0.00 0.00 70.33 69.19 2uva n THR 612 CO 0.00 0.00 0.00 1.62 -0.64 0.00 0.00 175.07 176.05 2uva h VAL 613 N 2.08 0.96 -3.90 12.58 3.04 -1.57 0.85 116.25 130.29 2uva h VAL 613 Ca 0.00 -2.29 -0.51 0.00 -1.01 0.00 0.00 66.70 62.89 2uva h VAL 613 Cb 1.11 2.51 0.05 0.00 -2.01 0.00 0.00 31.29 32.94 2uva h VAL 613 CO 0.20 0.56 0.53 -2.84 -1.01 0.00 0.00 177.57 175.02 2uva s PRO 614 N -2.42 4.25 0.00 4.17 0.02 -1.26 -4.64 135.00 135.12 2uva s PRO 614 Ca -0.24 1.93 0.11 0.00 0.02 0.00 0.00 61.00 62.82 2uva s PRO 614 Cb 0.05 -2.88 0.52 0.00 0.02 0.00 0.00 34.50 32.21 2uva s PRO 614 CO 0.69 -0.18 1.30 -2.67 -0.33 0.00 0.00 177.00 175.81 2uva n TRP 615 N 0.49 0.00 0.00 6.54 4.27 -1.26 -3.33 117.44 124.14 2uva n TRP 615 Ca 0.02 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.63 2uva n TRP 615 Cb 0.45 -0.38 0.00 0.00 -1.36 0.00 0.00 31.31 30.02 2uva n TRP 615 CO 0.00 0.00 0.00 -0.25 -2.29 0.00 0.00 177.69 175.15 2uva n ASP 616 N -1.38 0.00 -0.41 -0.67 8.00 -1.26 -2.54 116.55 118.29 2uva n ASP 616 Ca 0.04 0.45 0.33 0.00 0.71 0.00 0.00 54.79 56.33 2uva n ASP 616 Cb 0.11 -0.36 0.63 0.00 -0.02 0.00 0.00 41.12 41.48 2uva n ASP 616 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 2uva h PHE 617 N 0.00 0.48 -0.02 1.24 3.57 -1.67 0.53 116.94 121.07 2uva h PHE 617 Ca 0.00 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.45 2uva h PHE 617 Cb 0.00 -0.13 0.00 0.00 2.79 0.00 0.00 35.95 38.62 2uva h PHE 617 CO 0.03 -0.09 -0.26 -0.24 -2.23 0.00 0.00 178.31 175.53 2uva h VAL 618 N 0.17 1.50 -0.01 1.41 3.04 -1.68 -1.77 116.25 118.90 2uva h VAL 618 Ca 0.73 -1.83 -0.18 0.00 -1.01 0.00 0.00 66.70 64.41 2uva h VAL 618 Cb 2.27 2.60 -0.02 0.00 -2.01 0.00 0.00 31.29 34.13 2uva h VAL 618 CO -0.31 0.51 -0.80 0.00 -1.01 0.00 0.00 177.57 175.96 2uva h ALA 619 N 0.33 0.65 -0.09 3.17 0.00 -0.88 -2.21 119.26 120.22 2uva h ALA 619 Ca -0.03 -0.69 -0.12 0.00 0.00 0.00 0.00 54.91 54.08 2uva h ALA 619 Cb 0.96 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 2uva h ALA 619 CO 0.05 0.90 -0.46 0.00 0.00 0.00 0.00 179.25 179.74 2uva h ALA 620 N 1.10 1.05 0.00 0.00 0.00 -0.10 -0.20 119.26 121.11 2uva h ALA 620 Ca -0.03 -0.45 -0.06 0.00 0.00 0.00 0.00 54.91 54.38 2uva h ALA 620 Cb 1.39 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.08 2uva h ALA 620 CO 0.12 0.63 -0.29 1.15 0.00 0.00 0.00 179.25 180.85 2uva h THR 621 N 0.18 0.52 0.00 0.00 2.02 -1.23 -1.61 112.91 112.79 2uva h THR 621 Ca 0.01 -1.66 -0.20 0.00 0.77 0.00 0.00 66.41 65.34 2uva h THR 621 Cb 0.89 2.19 -0.03 0.00 -1.74 0.00 0.00 68.15 69.46 2uva h THR 621 CO 0.07 0.29 -1.19 0.24 0.37 0.00 0.00 175.52 175.30 2uva h MET 622 N 0.00 0.00 0.00 6.66 2.86 -1.23 -2.12 114.93 121.10 2uva h MET 622 Ca -0.00 0.00 -0.12 0.00 -2.06 0.00 0.00 59.70 57.52 2uva h MET 622 Cb 1.17 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.81 2uva h MET 622 CO 0.04 0.56 -0.57 -0.91 1.06 0.00 0.00 176.91 177.08 2uva h ASN 623 N 0.00 0.00 0.00 1.22 2.35 -0.99 -2.13 115.58 116.02 2uva h ASN 623 Ca -0.12 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.63 2uva h ASN 623 Cb 1.69 0.00 0.00 0.00 0.05 0.00 0.00 38.32 40.06 2uva h ASN 623 CO 0.08 0.57 0.00 0.00 -1.65 0.00 0.00 177.43 176.43 2uva n ALA 624 N -2.42 2.42 -2.55 -0.83 0.00 -0.61 -4.88 120.51 111.64 2uva n ALA 624 Ca -0.01 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.36 2uva n ALA 624 Cb 0.58 -1.00 0.01 0.00 0.00 0.00 0.00 19.45 19.05 2uva n ALA 624 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2uva n GLY 625 N 0.42 0.34 3.12 0.00 0.00 -0.80 -4.92 105.19 103.35 2uva n GLY 625 Ca 0.00 -0.48 -0.14 0.00 0.00 0.00 0.00 46.02 45.40 2uva n GLY 625 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2uva s TYR 626 N -2.78 0.87 -0.39 1.61 1.51 -0.80 -4.45 117.35 112.91 2uva s TYR 626 Ca 0.11 -0.60 -0.25 0.00 -1.01 0.00 0.00 57.07 55.31 2uva s TYR 626 Cb -0.05 -0.50 0.02 0.00 -0.11 0.00 0.00 41.96 41.32 2uva s TYR 626 CO 0.13 -0.06 0.89 -1.58 -1.11 0.00 0.00 175.55 173.83 2uva s HIS 627 N -2.01 3.05 0.17 2.71 5.65 -1.26 -3.92 115.29 119.67 2uva s HIS 627 Ca -0.02 0.62 0.07 0.00 0.25 0.00 0.00 55.06 55.98 2uva s HIS 627 Cb -0.06 -3.67 -0.04 0.00 -1.18 0.00 0.00 32.58 27.62 2uva s HIS 627 CO -0.00 -0.88 -0.14 -1.50 -0.65 0.00 0.00 174.74 171.57 2uva s ILE 628 N 3.46 1.55 -0.32 0.89 2.07 -1.26 -2.18 121.20 125.41 2uva s ILE 628 Ca 0.36 -2.07 -0.06 0.00 -1.41 0.00 0.00 60.65 57.47 2uva s ILE 628 Cb -0.12 -1.90 0.03 0.00 0.13 0.00 0.00 42.46 40.60 2uva s ILE 628 CO 0.20 -0.58 0.08 -1.61 -1.91 0.00 0.00 174.94 171.12 2uva s GLU 629 N -3.44 2.72 -0.22 3.50 2.02 -1.15 -4.44 118.70 117.70 2uva s GLU 629 Ca 0.18 -1.10 -0.28 0.00 0.02 0.00 0.00 54.97 53.79 2uva s GLU 629 Cb -0.01 -3.39 -0.04 0.00 0.10 0.00 0.00 34.13 30.79 2uva s GLU 629 CO 0.05 -0.60 2.04 -1.17 0.02 0.00 0.00 175.26 175.61 2uva s LEU 630 N 1.41 3.59 -0.58 1.80 2.96 0.14 -3.96 118.68 124.04 2uva s LEU 630 Ca -0.01 1.81 -0.26 0.00 -0.22 0.00 0.00 54.13 55.45 2uva s LEU 630 Cb -0.19 -3.52 -0.04 0.00 0.50 0.00 0.00 46.19 42.94 2uva s LEU 630 CO 0.02 -1.75 2.10 0.00 -1.32 0.00 0.00 176.35 175.40 2uva s ALA 631 N 7.33 1.90 -0.49 5.97 0.00 0.29 -1.17 121.76 135.59 2uva s ALA 631 Ca 0.92 -0.41 0.24 0.00 0.00 0.00 0.00 51.96 52.72 2uva s ALA 631 Cb -0.31 -4.34 0.97 0.00 0.00 0.00 0.00 23.12 19.45 2uva s ALA 631 CO 0.35 -4.21 1.73 0.41 0.00 0.00 0.00 175.76 174.04 2uva n GLY 632 N 5.88 -1.35 0.77 0.00 0.00 -0.45 -3.59 105.19 106.44 2uva n GLY 632 Ca 0.28 0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.38 2uva n GLY 632 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2uva n GLY 633 N 0.19 1.57 0.22 -0.02 0.00 -1.24 -2.04 105.19 103.88 2uva n GLY 633 Ca 0.03 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.05 2uva n GLY 633 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2uva n GLY 634 N 0.32 -0.47 3.07 -0.02 0.00 -1.24 -4.96 105.19 101.90 2uva n GLY 634 Ca 0.00 -0.08 -0.34 0.00 0.00 0.00 0.00 46.02 45.59 2uva n GLY 634 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2uva s TYR 635 N -0.28 3.58 0.03 1.61 1.51 -0.87 -4.92 117.35 118.00 2uva s TYR 635 Ca 0.02 -2.70 0.05 0.00 -1.01 0.00 0.00 57.07 53.43 2uva s TYR 635 Cb 0.02 -3.10 -0.24 0.00 -0.11 0.00 0.00 41.96 38.53 2uva s TYR 635 CO 0.00 -0.93 0.94 1.88 -1.11 0.00 0.00 175.55 176.33 2uva h TYR 636 N 7.63 0.18 -3.21 2.71 -1.99 -1.94 -3.45 116.97 116.89 2uva h TYR 636 Ca -0.08 -0.13 -0.63 0.00 2.00 0.00 0.00 58.73 59.89 2uva h TYR 636 Cb 1.01 -0.01 -0.15 0.00 2.00 0.00 0.00 36.73 39.59 2uva h TYR 636 CO 0.54 1.15 -0.56 1.21 -0.00 0.00 0.00 178.16 180.51 2uva s ASN 637 N -6.64 5.68 0.42 3.88 2.47 -1.26 -5.00 114.94 114.49 2uva s ASN 637 Ca -0.05 0.14 0.12 0.00 0.42 0.00 0.00 52.86 53.50 2uva s ASN 637 Cb 0.08 -1.92 0.98 0.00 -1.45 0.00 0.00 41.25 38.94 2uva s ASN 637 CO 0.83 0.23 1.98 0.00 -3.72 0.00 0.00 177.10 176.42 2uva h ALA 638 N 6.29 1.95 -0.13 1.71 0.00 -1.99 -2.68 119.26 124.41 2uva h ALA 638 Ca -0.41 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.38 2uva h ALA 638 Cb 1.18 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.87 2uva h ALA 638 CO 0.67 -0.08 -0.36 0.37 0.00 0.00 0.00 179.25 179.85 2uva h GLN 639 N 0.47 0.47 0.00 0.00 5.75 -1.98 -2.75 115.11 117.07 2uva h GLN 639 Ca 0.28 -0.34 0.00 0.00 -0.15 0.00 0.00 58.65 58.44 2uva h GLN 639 Cb 0.47 0.05 0.00 0.00 1.07 0.00 0.00 27.48 29.08 2uva h GLN 639 CO -0.08 0.96 0.00 1.63 -2.65 0.00 0.00 178.83 178.69 2uva n LYS 640 N -4.34 0.20 -0.06 1.69 5.02 -1.03 -1.10 118.16 118.54 2uva n LYS 640 Ca -0.07 0.43 -0.22 0.00 -2.02 0.00 0.00 58.31 56.43 2uva n LYS 640 Cb 0.52 -1.89 -0.13 0.00 -0.02 0.00 0.00 35.03 33.51 2uva n LYS 640 CO 0.00 0.00 0.00 -0.12 -0.52 0.00 0.00 177.40 176.76 2uva n MET 641 N -2.27 0.66 0.22 1.97 1.56 -1.07 -2.86 117.12 115.33 2uva n MET 641 Ca 0.02 0.41 0.15 0.00 -0.27 0.00 0.00 57.70 58.01 2uva n MET 641 Cb 0.23 -1.71 0.67 0.00 2.15 0.00 0.00 33.22 34.55 2uva n MET 641 CO 0.00 0.00 0.00 0.66 -0.73 0.00 0.00 175.97 175.90 2uva h SER 642 N -0.49 0.00 0.10 6.12 4.64 -1.42 -1.49 113.55 121.01 2uva h SER 642 Ca -0.41 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.91 2uva h SER 642 Cb 1.66 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.76 2uva h SER 642 CO -0.08 0.00 -0.05 0.44 -0.87 0.00 0.00 176.83 176.27 2uva h ASP 643 N 0.00 -0.12 0.27 4.97 3.32 -1.23 -3.03 116.42 120.60 2uva h ASP 643 Ca 0.00 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.05 2uva h ASP 643 Cb 0.33 0.03 -0.00 0.00 0.22 0.00 0.00 39.33 39.91 2uva h ASP 643 CO 0.00 0.15 -0.02 0.00 -1.72 0.00 0.00 179.24 177.66 2uva h ALA 644 N -1.45 1.09 -0.10 3.45 0.00 -1.53 -1.39 119.26 119.33 2uva h ALA 644 Ca -0.01 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 2uva h ALA 644 Cb 0.11 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 2uva h ALA 644 CO 0.02 0.02 -0.14 0.82 0.00 0.00 0.00 179.25 179.97 2uva h ILE 645 N 0.00 1.38 -0.09 0.00 2.04 -1.40 -3.07 117.51 116.36 2uva h ILE 645 Ca -0.00 -1.37 0.00 0.00 1.00 0.00 0.00 64.86 64.49 2uva h ILE 645 Cb 0.16 2.04 0.00 0.00 -0.74 0.00 0.00 36.82 38.29 2uva h ILE 645 CO 0.00 0.39 0.00 -1.54 0.00 0.00 0.00 178.15 177.00 2uva n SER 646 N -4.59 0.59 -0.02 1.72 3.41 -0.60 -1.74 113.62 112.39 2uva n SER 646 Ca -0.07 -1.81 -0.09 0.00 -0.26 0.00 0.00 58.87 56.64 2uva n SER 646 Cb 0.37 -0.06 -0.14 0.00 -0.26 0.00 0.00 64.21 64.12 2uva n SER 646 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2uva n LYS 647 N -0.27 0.64 0.02 4.33 5.02 -0.76 -4.18 118.16 122.96 2uva n LYS 647 Ca 0.08 0.30 -0.19 0.00 -2.02 0.00 0.00 58.31 56.48 2uva n LYS 647 Cb 0.12 -1.79 -0.10 0.00 -0.02 0.00 0.00 35.03 33.23 2uva n LYS 647 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 2uva h ILE 648 N 0.01 1.34 -0.76 -0.18 2.04 -1.25 -3.20 117.51 115.50 2uva h ILE 648 Ca -0.29 -2.14 0.14 0.00 1.00 0.00 0.00 64.86 63.57 2uva h ILE 648 Cb 2.01 2.43 -0.05 0.00 -0.74 0.00 0.00 36.82 40.47 2uva h ILE 648 CO 0.08 0.65 0.51 1.05 0.00 0.00 0.00 178.15 180.44 2uva h GLU 649 N 0.20 0.45 -0.01 2.37 4.11 -1.64 -1.99 114.58 118.06 2uva h GLU 649 Ca -0.10 -0.03 0.00 0.00 0.07 0.00 0.00 59.36 59.30 2uva h GLU 649 Cb 1.50 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.65 2uva h GLU 649 CO 0.16 0.30 -0.10 1.63 0.07 0.00 0.00 179.01 181.07 2uva n LYS 650 N -4.49 1.33 -2.31 1.06 5.02 -1.21 -3.93 118.16 113.63 2uva n LYS 650 Ca 0.14 -0.77 -0.17 0.00 -2.02 0.00 0.00 58.31 55.49 2uva n LYS 650 Cb 0.50 -1.48 0.03 0.00 -0.02 0.00 0.00 35.03 34.06 2uva n LYS 650 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2uva n ALA 651 N -0.16 4.33 -2.83 7.82 0.00 -0.75 -5.07 120.51 123.85 2uva n ALA 651 Ca 0.16 -3.55 -0.14 0.00 0.00 0.00 0.00 53.44 49.91 2uva n ALA 651 Cb 0.35 -0.52 -0.12 0.00 0.00 0.00 0.00 19.45 19.17 2uva n ALA 651 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2uva s ILE 652 N -4.43 0.62 -0.67 0.00 1.01 -1.23 -4.84 121.20 111.65 2uva s ILE 652 Ca 0.43 -1.03 -0.28 0.00 0.00 0.00 0.00 60.65 59.78 2uva s ILE 652 Cb 0.39 -0.65 -0.12 0.00 0.01 0.00 0.00 42.46 42.08 2uva s ILE 652 CO -0.01 -0.31 2.52 -2.65 0.00 0.00 0.00 174.94 174.50 2uva n PRO 653 N 1.58 0.67 -1.69 2.79 -0.02 -1.26 -4.80 135.00 132.26 2uva n PRO 653 Ca -0.22 -0.01 -0.61 0.00 -2.02 0.00 0.00 63.50 60.64 2uva n PRO 653 Cb 0.55 -2.76 -0.08 0.00 -0.02 0.00 0.00 33.50 31.18 2uva n PRO 653 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2uva n PRO 654 N 8.82 0.59 0.00 0.52 -0.02 -1.26 -1.17 135.00 142.48 2uva n PRO 654 Ca 0.47 0.22 0.00 0.00 -2.02 0.00 0.00 63.50 62.17 2uva n PRO 654 Cb 0.36 -1.81 0.00 0.00 -0.02 0.00 0.00 33.50 32.04 2uva n PRO 654 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2uva n GLY 655 N 3.67 2.41 3.77 -1.23 0.00 -1.26 -4.87 105.19 107.68 2uva n GLY 655 Ca 0.27 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.90 2uva n GLY 655 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2uva s ARG 656 N -0.21 4.12 0.12 1.61 1.81 -0.32 -4.56 118.95 121.52 2uva s ARG 656 Ca 0.00 2.00 -0.02 0.00 -1.72 0.00 0.00 55.73 56.00 2uva s ARG 656 Cb 0.00 -2.81 -0.05 0.00 -0.45 0.00 0.00 34.95 31.65 2uva s ARG 656 CO 0.00 -0.31 0.30 0.20 -0.68 0.00 0.00 175.30 174.81 2uva s GLY 657 N -0.88 2.11 -0.02 -3.53 0.00 -1.26 -4.88 107.32 98.86 2uva s GLY 657 Ca 0.55 -0.75 -0.01 0.00 0.00 0.00 0.00 44.72 44.50 2uva s GLY 657 CO 0.44 -0.71 0.10 -0.42 0.00 0.00 0.00 173.10 172.51 2uva s ILE 658 N -1.64 4.88 -0.20 0.90 1.01 0.15 -4.87 121.20 121.44 2uva s ILE 658 Ca 0.38 -0.32 0.01 0.00 0.00 0.00 0.00 60.65 60.72 2uva s ILE 658 Cb -0.12 -3.22 0.04 0.00 0.01 0.00 0.00 42.46 39.17 2uva s ILE 658 CO 0.27 0.38 -0.10 -0.89 0.00 0.00 0.00 174.94 174.59 2uva s THR 659 N -1.19 1.62 -0.01 2.92 2.01 -1.26 -2.30 115.64 117.43 2uva s THR 659 Ca 0.23 -0.98 -0.10 0.00 0.31 0.00 0.00 61.69 61.15 2uva s THR 659 Cb -0.12 -1.69 -0.05 0.00 0.01 0.00 0.00 72.50 70.64 2uva s THR 659 CO 0.13 0.18 0.31 -0.69 -0.69 0.00 0.00 174.62 173.86 2uva s VAL 660 N 1.41 5.22 -0.32 3.82 1.01 -0.96 0.23 120.40 130.82 2uva s VAL 660 Ca -0.01 0.44 -0.05 0.00 0.00 0.00 0.00 61.98 62.36 2uva s VAL 660 Cb -0.16 -3.59 0.04 0.00 0.00 0.00 0.00 36.38 32.67 2uva s VAL 660 CO -0.08 0.47 0.06 0.21 0.00 0.00 0.00 175.10 175.76 2uva s ASN 661 N -1.37 5.14 -0.11 3.32 2.47 -0.32 -1.13 114.94 122.94 2uva s ASN 661 Ca 0.25 -1.15 -0.03 0.00 0.42 0.00 0.00 52.86 52.34 2uva s ASN 661 Cb -0.14 -1.81 -0.03 0.00 -1.45 0.00 0.00 41.25 37.81 2uva s ASN 661 CO 0.13 -0.29 0.01 -0.76 -3.72 0.00 0.00 177.10 172.47 2uva s LEU 662 N 1.36 3.62 -0.17 3.21 1.43 0.13 -1.35 118.68 126.91 2uva s LEU 662 Ca -0.03 0.12 -0.22 0.00 -1.03 0.00 0.00 54.13 52.97 2uva s LEU 662 Cb -0.19 -1.85 -0.02 0.00 0.03 0.00 0.00 46.19 44.15 2uva s LEU 662 CO 0.01 0.32 0.69 0.27 0.23 0.00 0.00 176.35 177.88 2uva s ILE 663 N -0.54 4.99 0.02 -0.59 -5.25 -1.26 -0.44 121.20 118.13 2uva s ILE 663 Ca 0.09 1.35 0.10 0.00 -0.99 0.00 0.00 60.65 61.21 2uva s ILE 663 Cb -0.12 -4.01 -0.09 0.00 2.95 0.00 0.00 42.46 41.19 2uva s ILE 663 CO 0.02 0.11 1.37 0.22 -1.79 0.00 0.00 174.94 174.87 2uva h TYR 664 N 7.31 0.00 -0.19 1.37 3.20 -1.18 -3.05 116.97 124.43 2uva h TYR 664 Ca -0.32 0.00 -0.05 0.00 3.14 0.00 0.00 58.73 61.50 2uva h TYR 664 Cb 1.15 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 39.39 2uva h TYR 664 CO 0.70 0.78 0.06 0.28 -1.64 0.00 0.00 178.16 178.35 2uva n VAL 665 N -3.32 1.04 -3.09 1.81 0.31 -1.23 -3.80 118.33 110.05 2uva n VAL 665 Ca 0.01 -0.41 -0.22 0.00 -0.01 0.00 0.00 64.34 63.70 2uva n VAL 665 Cb 0.84 -0.60 -0.04 0.00 -0.91 0.00 0.00 33.84 33.13 2uva n VAL 665 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 2uva n ASN 666 N 0.13 2.36 0.25 4.52 2.85 -1.15 -4.94 115.26 119.27 2uva n ASN 666 Ca 0.10 -3.29 0.17 0.00 -0.11 0.00 0.00 54.58 51.45 2uva n ASN 666 Cb 0.61 -0.60 0.80 0.00 1.24 0.00 0.00 39.78 41.84 2uva n ASN 666 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 2uva h PRO 667 N 3.02 0.00 0.35 1.20 0.11 -1.80 -0.49 132.00 134.40 2uva h PRO 667 Ca 0.11 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.21 2uva h PRO 667 Cb 0.77 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.89 2uva h PRO 667 CO 0.63 0.00 -0.17 -0.09 -0.21 0.00 0.00 178.00 178.16 2uva h ARG 668 N 0.00 -0.46 -0.45 1.05 2.43 -1.93 -2.23 114.38 112.79 2uva h ARG 668 Ca 0.00 0.03 -0.07 0.00 -0.81 0.00 0.00 59.98 59.13 2uva h ARG 668 Cb 0.24 0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.87 2uva h ARG 668 CO 0.00 -0.30 -0.02 0.00 -1.51 0.00 0.00 179.97 178.14 2uva h ALA 669 N -1.59 1.12 0.00 2.80 0.00 -1.92 -1.63 119.26 118.04 2uva h ALA 669 Ca -0.05 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.60 2uva h ALA 669 Cb 0.36 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.97 2uva h ALA 669 CO 0.08 0.56 0.00 -0.12 0.00 0.00 0.00 179.25 179.77 2uva n MET 670 N -4.21 0.18 -0.08 0.00 0.00 -0.21 -2.61 117.12 110.19 2uva n MET 670 Ca 0.02 0.17 -0.14 0.00 -0.00 0.00 0.00 57.70 57.75 2uva n MET 670 Cb 0.30 -1.50 -0.05 0.00 0.00 0.00 0.00 33.22 31.97 2uva n MET 670 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 175.97 176.75 2uva h GLY 671 N 2.33 0.76 1.00 -5.12 0.00 -0.64 -3.20 103.07 98.20 2uva h GLY 671 Ca 0.00 -0.86 -0.30 0.00 0.00 0.00 0.00 47.33 46.18 2uva h GLY 671 CO 0.00 0.77 -1.70 0.11 0.00 0.00 0.00 176.54 175.72 2uva h TRP 672 N 0.42 0.07 -0.28 5.60 5.08 -1.66 -3.40 115.95 121.77 2uva h TRP 672 Ca 0.02 -0.05 0.04 0.00 1.08 0.00 0.00 58.89 59.99 2uva h TRP 672 Cb 0.98 -0.00 -0.04 0.00 -3.00 0.00 0.00 29.16 27.10 2uva h TRP 672 CO 0.08 1.10 0.03 1.96 -1.28 0.00 0.00 178.44 180.33 2uva h GLN 673 N 0.01 0.12 -0.01 0.12 4.20 -1.57 -1.96 115.11 116.01 2uva h GLN 673 Ca -0.29 -0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.42 2uva h GLN 673 Cb 2.00 -0.03 -0.00 0.00 0.30 0.00 0.00 27.48 29.76 2uva h GLN 673 CO 0.08 0.08 0.00 0.82 -0.67 0.00 0.00 178.83 179.15 2uva h ILE 674 N 0.12 1.15 0.00 2.54 2.04 -1.76 -1.20 117.51 120.40 2uva h ILE 674 Ca 0.13 -0.45 0.00 0.00 1.00 0.00 0.00 64.86 65.55 2uva h ILE 674 Cb 0.16 1.43 0.00 0.00 -0.74 0.00 0.00 36.82 37.67 2uva h ILE 674 CO -0.20 0.12 0.00 -2.65 0.00 0.00 0.00 178.15 175.42 2uva n PRO 675 N -4.99 0.07 -0.04 2.37 -0.02 -1.22 -1.70 135.00 129.48 2uva n PRO 675 Ca -0.07 0.26 -0.13 0.00 -2.02 0.00 0.00 63.50 61.53 2uva n PRO 675 Cb 0.12 -1.62 -0.11 0.00 -0.02 0.00 0.00 33.50 31.86 2uva n PRO 675 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 2uva h LEU 676 N 0.00 -0.01 0.36 2.45 7.12 -0.79 -2.47 115.31 121.96 2uva h LEU 676 Ca 0.00 -0.71 -0.00 0.00 0.13 0.00 0.00 57.88 57.30 2uva h LEU 676 Cb 0.36 0.00 -0.02 0.00 -0.53 0.00 0.00 40.66 40.46 2uva h LEU 676 CO 0.00 0.72 -0.38 -0.07 -0.13 0.00 0.00 178.44 178.57 2uva h LEU 677 N -0.75 -1.05 -1.02 2.25 3.38 -1.00 -0.16 115.31 116.97 2uva h LEU 677 Ca -0.00 0.09 0.25 0.00 0.09 0.00 0.00 57.88 58.31 2uva h LEU 677 Cb 0.72 0.36 -0.12 0.00 0.09 0.00 0.00 40.66 41.70 2uva h LEU 677 CO 0.00 -0.52 0.60 1.23 0.09 0.00 0.00 178.44 179.84 2uva h GLY 678 N -0.77 1.89 1.11 0.83 0.00 -1.45 -0.31 103.07 104.37 2uva h GLY 678 Ca -0.03 -0.30 -0.17 0.00 0.00 0.00 0.00 47.33 46.83 2uva h GLY 678 CO -0.08 -0.25 -0.48 -0.09 0.00 0.00 0.00 176.54 175.64 2uva h ARG 679 N 0.57 0.86 0.14 4.80 2.43 -0.94 -3.15 114.38 119.09 2uva h ARG 679 Ca 0.65 -0.52 -0.01 0.00 -0.81 0.00 0.00 59.98 59.29 2uva h ARG 679 Cb 1.25 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.86 2uva h ARG 679 CO -0.47 1.16 -0.07 -0.07 -1.51 0.00 0.00 179.97 179.01 2uva h LEU 680 N 0.64 -0.16 -1.17 3.80 3.38 0.59 -2.94 115.31 119.44 2uva h LEU 680 Ca 0.03 -0.01 0.19 0.00 0.09 0.00 0.00 57.88 58.18 2uva h LEU 680 Cb 1.08 0.04 -0.09 0.00 0.09 0.00 0.00 40.66 41.78 2uva h LEU 680 CO 0.11 -0.10 0.61 -0.09 0.09 0.00 0.00 178.44 179.07 2uva h ARG 681 N -0.21 0.65 0.00 1.13 9.65 -1.25 0.21 114.38 124.56 2uva h ARG 681 Ca -0.02 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 58.82 2uva h ARG 681 Cb 0.16 -0.15 0.00 0.00 -1.39 0.00 0.00 29.97 28.59 2uva h ARG 681 CO 0.03 0.43 0.00 0.00 2.80 0.00 0.00 179.97 183.23 2uva n ALA 682 N -2.39 1.53 0.39 2.80 0.00 -1.11 -1.76 120.51 119.97 2uva n ALA 682 Ca 0.22 0.10 0.11 0.00 0.00 0.00 0.00 53.44 53.87 2uva n ALA 682 Cb 0.60 -1.36 -0.04 0.00 0.00 0.00 0.00 19.45 18.66 2uva n ALA 682 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2uva n ASP 683 N -2.19 0.54 0.00 0.00 8.00 0.71 -4.97 116.55 118.64 2uva n ASP 683 Ca 0.01 -0.14 0.00 0.00 0.71 0.00 0.00 54.79 55.38 2uva n ASP 683 Cb 0.18 1.03 0.00 0.00 -0.02 0.00 0.00 41.12 42.32 2uva n ASP 683 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2uva n GLY 684 N 1.32 1.71 3.56 0.44 0.00 -0.72 -4.95 105.19 106.55 2uva n GLY 684 Ca 0.00 0.00 -0.51 0.00 0.00 0.00 0.00 46.02 45.51 2uva n GLY 684 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2uva n VAL 685 N 0.00 0.58 -0.91 1.61 0.31 -1.18 -0.40 118.33 118.34 2uva n VAL 685 Ca 0.00 -0.15 -0.14 0.00 -0.01 0.00 0.00 64.34 64.04 2uva n VAL 685 Cb 0.00 -0.68 -0.13 0.00 -0.91 0.00 0.00 33.84 32.13 2uva n VAL 685 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 2uva n PRO 686 N 1.90 1.96 -3.59 5.55 -0.02 -1.26 -4.27 135.00 135.26 2uva n PRO 686 Ca 0.17 -1.04 -0.39 0.00 -2.02 0.00 0.00 63.50 60.22 2uva n PRO 686 Cb 0.21 -2.05 -0.11 0.00 -0.02 0.00 0.00 33.50 31.53 2uva n PRO 686 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2uva s ILE 687 N 1.47 5.00 -0.06 4.25 1.01 -1.26 0.31 121.20 131.92 2uva s ILE 687 Ca 0.58 -0.25 0.09 0.00 0.00 0.00 0.00 60.65 61.07 2uva s ILE 687 Cb 0.26 -3.54 0.13 0.00 0.01 0.00 0.00 42.46 39.33 2uva s ILE 687 CO -0.01 0.06 1.02 -1.84 0.00 0.00 0.00 174.94 174.17 2uva n GLU 688 N 5.05 1.10 -3.72 2.79 0.28 -0.97 -4.70 120.64 120.46 2uva n GLU 688 Ca -0.13 -1.76 -0.12 0.00 -0.16 0.00 0.00 57.16 54.99 2uva n GLU 688 Cb 0.50 -1.04 -0.12 0.00 1.43 0.00 0.00 31.44 32.20 2uva n GLU 688 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 177.13 177.17 2uva s GLY 689 N -1.76 -0.19 0.00 -1.84 0.00 -1.02 -1.08 107.32 101.43 2uva s GLY 689 Ca 0.15 1.13 0.07 0.00 0.00 0.00 0.00 44.72 46.07 2uva s GLY 689 CO 0.01 1.34 -0.22 -2.27 0.00 0.00 0.00 173.10 171.96 2uva s LEU 690 N 1.24 2.09 -0.07 0.66 1.98 -0.97 -2.25 118.68 121.35 2uva s LEU 690 Ca -0.09 -0.44 -0.00 0.00 -2.89 0.00 0.00 54.13 50.71 2uva s LEU 690 Cb -0.09 -1.10 0.02 0.00 0.66 0.00 0.00 46.19 45.68 2uva s LEU 690 CO -0.09 0.24 -0.04 -0.89 -1.89 0.00 0.00 176.35 173.68 2uva s THR 691 N -0.61 0.64 -0.31 3.68 2.01 -0.28 0.04 115.64 120.81 2uva s THR 691 Ca 0.08 -0.10 -0.06 0.00 0.31 0.00 0.00 61.69 61.92 2uva s THR 691 Cb -0.09 -0.70 0.02 0.00 0.01 0.00 0.00 72.50 71.74 2uva s THR 691 CO 0.00 0.28 0.08 -0.63 -0.69 0.00 0.00 174.62 173.66 2uva s ILE 692 N 1.48 3.86 0.31 1.82 1.01 -0.07 0.19 121.20 129.81 2uva s ILE 692 Ca -0.01 -0.84 0.07 0.00 0.00 0.00 0.00 60.65 59.87 2uva s ILE 692 Cb -0.13 -3.05 -0.03 0.00 0.01 0.00 0.00 42.46 39.26 2uva s ILE 692 CO -0.04 0.01 0.28 -0.83 0.00 0.00 0.00 174.94 174.36 2uva s GLY 693 N 1.46 1.67 -0.26 6.18 0.00 0.41 -2.96 107.32 113.82 2uva s GLY 693 Ca 0.01 -1.58 -0.11 0.00 0.00 0.00 0.00 44.72 43.04 2uva s GLY 693 CO 0.02 -1.54 0.25 0.00 0.00 0.00 0.00 173.10 171.83 2uva n ALA 694 N -1.34 -2.68 0.00 3.20 0.00 -1.26 -1.10 120.51 117.34 2uva n ALA 694 Ca -0.03 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.84 2uva n ALA 694 Cb 0.59 -1.61 0.00 0.00 0.00 0.00 0.00 19.45 18.43 2uva n ALA 694 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2uva n GLY 695 N 0.53 2.45 3.51 0.00 0.00 -1.26 -3.55 105.19 106.87 2uva n GLY 695 Ca 0.00 -1.46 -0.41 0.00 0.00 0.00 0.00 46.02 44.15 2uva n GLY 695 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2uva s VAL 696 N -0.48 5.25 0.98 1.61 1.01 -1.26 -4.82 120.40 122.68 2uva s VAL 696 Ca 0.00 -0.32 -0.14 0.00 0.00 0.00 0.00 61.98 61.52 2uva s VAL 696 Cb 0.00 -3.82 0.01 0.00 0.00 0.00 0.00 36.38 32.57 2uva s VAL 696 CO 0.00 -0.14 0.15 -2.65 0.00 0.00 0.00 175.10 172.46 2uva n PRO 697 N 5.20 -0.38 -1.96 2.72 -0.02 -1.26 -4.96 135.00 134.35 2uva n PRO 697 Ca -0.11 -0.08 -0.32 0.00 -2.02 0.00 0.00 63.50 60.97 2uva n PRO 697 Cb 0.49 -1.70 0.02 0.00 -0.02 0.00 0.00 33.50 32.29 2uva n PRO 697 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2uva s SER 698 N -1.83 5.72 0.23 2.55 0.15 -1.26 -4.82 113.70 114.43 2uva s SER 698 Ca 0.54 1.77 -0.10 0.00 0.70 0.00 0.00 55.95 58.86 2uva s SER 698 Cb -0.19 -2.53 0.34 0.00 -1.71 0.00 0.00 66.02 61.93 2uva s SER 698 CO 0.70 -1.21 1.64 0.40 1.20 0.00 0.00 173.24 175.96 2uva h ILE 699 N 0.22 0.39 0.00 6.45 5.03 -1.96 0.78 117.51 128.42 2uva h ILE 699 Ca -0.46 -0.03 0.00 0.00 -0.12 0.00 0.00 64.86 64.25 2uva h ILE 699 Cb 1.22 0.31 0.00 0.00 -3.03 0.00 0.00 36.82 35.31 2uva h ILE 699 CO 0.57 0.01 -0.05 1.05 -0.68 0.00 0.00 178.15 179.05 2uva h GLU 700 N 0.08 0.00 -0.44 2.37 9.09 -1.99 -2.12 114.58 121.56 2uva h GLU 700 Ca 0.35 0.00 -0.13 0.00 0.05 0.00 0.00 59.36 59.63 2uva h GLU 700 Cb 0.59 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.68 2uva h GLU 700 CO -0.62 0.00 -0.24 0.28 0.05 0.00 0.00 179.01 178.47 2uva h VAL 701 N 0.00 1.27 -0.12 -1.06 2.07 -1.26 -2.91 116.25 114.24 2uva h VAL 701 Ca 0.00 -1.41 -0.05 0.00 0.82 0.00 0.00 66.70 66.06 2uva h VAL 701 Cb 0.93 1.22 -0.00 0.00 -1.52 0.00 0.00 31.29 31.92 2uva h VAL 701 CO 0.00 0.48 -0.12 0.00 0.02 0.00 0.00 177.57 177.95 2uva h ALA 702 N 0.83 0.17 -0.95 1.67 0.00 -1.13 -3.20 119.26 116.66 2uva h ALA 702 Ca 0.09 -0.31 0.26 0.00 0.00 0.00 0.00 54.91 54.95 2uva h ALA 702 Cb 0.82 -0.04 -0.13 0.00 0.00 0.00 0.00 17.79 18.44 2uva h ALA 702 CO 0.07 0.03 0.47 -0.91 0.00 0.00 0.00 179.25 178.91 2uva h ASN 703 N -0.11 0.42 0.89 0.00 2.35 -1.36 0.47 115.58 118.25 2uva h ASN 703 Ca 0.02 0.17 -0.04 0.00 -0.55 0.00 0.00 56.30 55.89 2uva h ASN 703 Cb 0.65 0.13 0.01 0.00 0.05 0.00 0.00 38.32 39.15 2uva h ASN 703 CO 0.03 -0.04 -0.43 -0.33 -1.65 0.00 0.00 177.43 175.01 2uva h GLU 704 N 0.39 -1.15 -0.85 0.81 5.08 -1.55 -2.42 114.58 114.90 2uva h GLU 704 Ca 0.63 0.08 0.12 0.00 -1.00 0.00 0.00 59.36 59.19 2uva h GLU 704 Cb 1.30 0.26 -0.14 0.00 0.50 0.00 0.00 28.75 30.67 2uva h GLU 704 CO -0.56 -0.77 -0.42 1.88 -1.00 0.00 0.00 179.01 178.14 2uva h TYR 705 N -1.22 -1.23 -0.33 4.33 0.99 -1.14 0.34 116.97 118.71 2uva h TYR 705 Ca -0.12 0.10 0.07 0.00 2.00 0.00 0.00 58.73 60.78 2uva h TYR 705 Cb 0.92 0.66 -0.08 0.00 1.00 0.00 0.00 36.73 39.22 2uva h TYR 705 CO 0.02 -0.40 -0.34 0.82 -0.00 0.00 0.00 178.16 178.26 2uva h ILE 706 N -0.07 0.22 -0.58 -2.88 2.04 -0.97 -3.06 117.51 112.21 2uva h ILE 706 Ca 0.27 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.13 2uva h ILE 706 Cb 0.56 0.22 0.00 0.00 -0.74 0.00 0.00 36.82 36.86 2uva h ILE 706 CO -0.87 0.00 0.00 0.00 0.00 0.00 0.00 178.15 177.28 2uva n GLN 707 N -5.42 3.37 -0.01 2.37 6.02 -0.45 -4.51 117.38 118.76 2uva n GLN 707 Ca -0.00 -2.73 -0.02 0.00 -0.01 0.00 0.00 57.00 54.24 2uva n GLN 707 Cb 0.34 -1.74 -0.01 0.00 1.02 0.00 0.00 30.24 29.85 2uva n GLN 707 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46 2uva n THR 708 N 0.97 0.80 -2.72 5.09 -1.04 0.11 -4.94 114.28 112.55 2uva n THR 708 Ca 0.23 0.26 -0.42 0.00 -2.04 0.00 0.00 64.05 62.08 2uva n THR 708 Cb 0.78 -1.64 -0.03 0.00 -1.82 0.00 0.00 70.33 67.62 2uva n THR 708 CO 0.00 0.00 0.00 -1.48 -0.64 0.00 0.00 175.07 172.95 2uva s LEU 709 N -6.41 4.21 -0.76 -4.42 2.34 -1.16 -4.94 118.68 107.54 2uva s LEU 709 Ca -0.08 1.45 -0.19 0.00 0.06 0.00 0.00 54.13 55.37 2uva s LEU 709 Cb 0.01 -3.50 -0.14 0.00 -0.56 0.00 0.00 46.19 42.00 2uva s LEU 709 CO 0.11 -0.48 1.93 0.61 -1.06 0.00 0.00 176.35 177.47 2uva n GLY 710 N 3.19 2.60 3.93 -3.48 0.00 -1.26 -4.71 105.19 105.45 2uva n GLY 710 Ca 0.09 -1.15 -0.25 0.00 0.00 0.00 0.00 46.02 44.70 2uva n GLY 710 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2uva s ILE 711 N 4.75 5.06 -0.16 -0.61 -4.36 -1.26 -4.79 121.20 119.82 2uva s ILE 711 Ca 0.53 -0.28 0.16 0.00 -0.26 0.00 0.00 60.65 60.81 2uva s ILE 711 Cb 0.13 -3.85 -0.23 0.00 1.25 0.00 0.00 42.46 39.76 2uva s ILE 711 CO 0.09 -0.60 0.10 -1.14 0.24 0.00 0.00 174.94 173.63 2uva n ARG 712 N -1.81 1.02 -4.04 0.37 0.63 -0.24 -4.98 116.66 107.61 2uva n ARG 712 Ca -0.03 -0.02 -0.08 0.00 -0.92 0.00 0.00 57.85 56.79 2uva n ARG 712 Cb 0.56 -1.46 -0.11 0.00 0.45 0.00 0.00 32.46 31.90 2uva n ARG 712 CO 0.00 0.00 0.00 -3.38 -2.51 0.00 0.00 177.63 171.74 2uva s HIS 713 N -2.52 0.40 -0.04 -0.14 -3.43 -0.71 -4.31 115.29 104.53 2uva s HIS 713 Ca -0.09 -0.79 0.01 0.00 -0.80 0.00 0.00 55.06 53.40 2uva s HIS 713 Cb 0.06 -0.29 0.02 0.00 -1.43 0.00 0.00 32.58 30.94 2uva s HIS 713 CO 0.74 -0.28 -0.05 -1.50 -2.00 0.00 0.00 174.74 171.66 2uva s ILE 714 N -2.63 0.58 -0.16 -5.38 2.07 -0.69 -2.28 121.20 112.71 2uva s ILE 714 Ca -0.05 -0.16 0.02 0.00 -1.41 0.00 0.00 60.65 59.05 2uva s ILE 714 Cb -0.01 -0.58 0.02 0.00 0.13 0.00 0.00 42.46 42.01 2uva s ILE 714 CO -0.05 0.23 -0.20 -0.55 -1.91 0.00 0.00 174.94 172.45 2uva s SER 715 N 0.79 3.07 0.01 4.50 0.15 0.11 -1.55 113.70 120.78 2uva s SER 715 Ca -0.11 -0.62 0.01 0.00 0.70 0.00 0.00 55.95 55.93 2uva s SER 715 Cb -0.14 -1.44 -0.04 0.00 -1.71 0.00 0.00 66.02 62.70 2uva s SER 715 CO 0.01 0.03 0.05 -0.36 1.20 0.00 0.00 173.24 174.16 2uva s PHE 716 N 1.12 3.18 -0.56 3.44 2.99 -0.96 -0.89 117.98 126.29 2uva s PHE 716 Ca 0.00 0.13 -0.02 0.00 0.00 0.00 0.00 56.93 57.04 2uva s PHE 716 Cb -0.14 -1.69 0.14 0.00 0.00 0.00 0.00 43.02 41.34 2uva s PHE 716 CO -0.08 0.51 0.36 0.15 -0.00 0.00 0.00 175.22 176.15 2uva s LYS 717 N -1.79 2.35 0.72 0.44 1.02 -1.16 -2.38 119.74 118.94 2uva s LYS 717 Ca 0.23 -2.36 -0.11 0.00 0.02 0.00 0.00 55.97 53.74 2uva s LYS 717 Cb -0.12 -3.64 0.02 0.00 -0.52 0.00 0.00 37.83 33.57 2uva s LYS 717 CO 0.14 -1.14 1.08 -2.14 -0.92 0.00 0.00 175.35 172.37 2uva s PRO 718 N 0.21 2.76 0.00 -1.68 0.02 -1.25 -4.44 135.00 130.62 2uva s PRO 718 Ca 0.15 0.64 0.00 0.00 0.02 0.00 0.00 61.00 61.81 2uva s PRO 718 Cb -0.21 -2.00 0.00 0.00 0.02 0.00 0.00 34.50 32.31 2uva s PRO 718 CO -0.03 -1.14 0.00 0.41 -0.33 0.00 0.00 177.00 175.90 2uva n GLY 719 N -2.53 0.74 3.26 0.52 0.00 -1.26 -3.93 105.19 101.99 2uva n GLY 719 Ca 0.07 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.93 2uva n GLY 719 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2uva s SER 720 N 0.00 1.92 0.31 1.61 0.15 -1.26 -4.63 113.70 111.80 2uva s SER 720 Ca 0.00 -0.97 0.09 0.00 0.70 0.00 0.00 55.95 55.77 2uva s SER 720 Cb 0.00 -0.04 0.89 0.00 -1.71 0.00 0.00 66.02 65.16 2uva s SER 720 CO 0.00 -0.27 1.68 0.58 1.20 0.00 0.00 173.24 176.43 2uva h VAL 721 N 2.91 0.38 0.00 4.45 2.07 -1.99 0.32 116.25 124.39 2uva h VAL 721 Ca -0.37 -0.12 -0.16 0.00 0.82 0.00 0.00 66.70 66.86 2uva h VAL 721 Cb 1.20 -0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.93 2uva h VAL 721 CO 0.61 0.07 -0.92 -2.24 0.02 0.00 0.00 177.57 175.11 2uva h ASP 722 N 0.36 0.00 -1.00 0.57 3.04 -1.99 -3.18 116.42 114.21 2uva h ASP 722 Ca 0.64 0.00 0.05 0.00 -3.24 0.00 0.00 57.03 54.48 2uva h ASP 722 Cb 1.34 0.00 -0.06 0.00 -1.04 0.00 0.00 39.33 39.57 2uva h ASP 722 CO -0.58 0.68 0.66 0.00 -2.04 0.00 0.00 179.24 177.96 2uva h ALA 723 N 1.32 1.36 0.57 4.15 0.00 -0.81 -0.95 119.26 124.91 2uva h ALA 723 Ca -0.06 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 2uva h ALA 723 Cb 1.57 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 19.02 2uva h ALA 723 CO 0.08 0.53 -0.33 0.82 0.00 0.00 0.00 179.25 180.34 2uva h ILE 724 N 1.24 0.32 -0.93 0.00 2.04 -1.26 -2.39 117.51 116.53 2uva h ILE 724 Ca 0.41 0.00 0.25 0.00 1.00 0.00 0.00 64.86 66.52 2uva h ILE 724 Cb 0.05 0.32 -0.05 0.00 -0.74 0.00 0.00 36.82 36.39 2uva h ILE 724 CO -0.14 0.00 0.64 1.56 0.00 0.00 0.00 178.15 180.22 2uva h GLN 725 N -0.85 0.17 0.32 2.37 1.08 -1.39 -0.03 115.11 116.79 2uva h GLN 725 Ca -0.07 -0.01 -0.01 0.00 -1.45 0.00 0.00 58.65 57.11 2uva h GLN 725 Cb 0.68 -0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 28.07 2uva h GLN 725 CO 0.08 0.11 -0.25 1.96 -0.95 0.00 0.00 178.83 179.78 2uva h GLN 726 N 0.18 -0.54 -0.87 1.46 1.08 -0.69 -2.24 115.11 113.49 2uva h GLN 726 Ca 0.47 0.04 0.22 0.00 -1.45 0.00 0.00 58.65 57.93 2uva h GLN 726 Cb 1.55 0.12 -0.15 0.00 -0.05 0.00 0.00 27.48 28.95 2uva h GLN 726 CO -0.10 -0.36 0.10 0.28 -0.95 0.00 0.00 178.83 177.80 2uva h VAL 727 N -0.56 0.24 -0.62 -0.54 2.07 -0.73 0.15 116.25 116.26 2uva h VAL 727 Ca -0.04 -0.04 0.07 0.00 0.82 0.00 0.00 66.70 67.50 2uva h VAL 727 Cb 0.46 0.11 -0.06 0.00 -1.52 0.00 0.00 31.29 30.29 2uva h VAL 727 CO 0.01 0.02 0.32 0.40 0.02 0.00 0.00 177.57 178.34 2uva h ILE 728 N 0.11 0.92 -0.10 4.57 2.04 -1.01 0.21 117.51 124.24 2uva h ILE 728 Ca 0.52 -0.20 -0.13 0.00 1.00 0.00 0.00 64.86 66.05 2uva h ILE 728 Cb 1.01 0.28 -0.01 0.00 -0.74 0.00 0.00 36.82 37.36 2uva h ILE 728 CO -0.73 0.11 -0.51 0.78 0.00 0.00 0.00 178.15 177.80 2uva h ASN 729 N 0.58 0.30 0.10 1.72 -0.26 -0.17 0.11 115.58 117.97 2uva h ASN 729 Ca 0.29 -0.15 -0.02 0.00 -0.56 0.00 0.00 56.30 55.86 2uva h ASN 729 Cb 0.23 -0.08 -0.00 0.00 -1.06 0.00 0.00 38.32 37.40 2uva h ASN 729 CO -0.21 0.76 -0.10 0.40 -1.06 0.00 0.00 177.43 177.22 2uva h ILE 730 N 0.22 1.02 0.08 2.81 1.08 0.17 -0.27 117.51 122.63 2uva h ILE 730 Ca 0.01 -0.33 -0.11 0.00 -0.39 0.00 0.00 64.86 64.03 2uva h ILE 730 Cb 0.97 1.18 0.01 0.00 -3.07 0.00 0.00 36.82 35.91 2uva h ILE 730 CO 0.08 0.09 -0.48 0.00 -0.69 0.00 0.00 178.15 177.15 2uva h ALA 731 N 1.90 -0.04 -0.05 1.87 0.00 0.21 -3.09 119.26 120.06 2uva h ALA 731 Ca -0.00 -0.61 0.01 0.00 0.00 0.00 0.00 54.91 54.32 2uva h ALA 731 Cb 0.17 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 2uva h ALA 731 CO 0.01 0.22 0.05 0.87 0.00 0.00 0.00 179.25 180.40 2uva h LYS 732 N -0.58 0.00 -0.35 0.00 1.57 -0.58 -1.22 116.57 115.41 2uva h LYS 732 Ca -0.08 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.67 2uva h LYS 732 Cb 1.36 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.66 2uva h LYS 732 CO 0.09 0.00 0.10 0.00 -0.57 0.00 0.00 179.45 179.07 2uva h ALA 733 N 1.95 0.46 -3.12 3.86 0.00 -1.03 -3.35 119.26 118.03 2uva h ALA 733 Ca 0.02 -0.17 -0.62 0.00 0.00 0.00 0.00 54.91 54.14 2uva h ALA 733 Cb 0.12 -0.13 -0.41 0.00 0.00 0.00 0.00 17.79 17.36 2uva h ALA 733 CO -0.00 0.12 -0.66 -0.80 0.00 0.00 0.00 179.25 177.91 2uva s ASN 734 N -5.91 4.11 0.00 0.00 0.01 -0.47 -4.95 114.94 107.73 2uva s ASN 734 Ca -0.13 -3.20 0.03 0.00 -0.71 0.00 0.00 52.86 48.84 2uva s ASN 734 Cb 0.09 -1.41 0.15 0.00 0.41 0.00 0.00 41.25 40.50 2uva s ASN 734 CO 0.75 -0.19 0.79 -2.65 -1.51 0.00 0.00 177.10 174.29 2uva n PRO 735 N 2.82 0.67 -0.20 -0.60 -0.02 -1.14 -2.77 135.00 133.76 2uva n PRO 735 Ca 0.12 0.00 0.08 0.00 -2.02 0.00 0.00 63.50 61.69 2uva n PRO 735 Cb 0.35 -1.06 0.12 0.00 -0.02 0.00 0.00 33.50 32.89 2uva n PRO 735 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 2uva n THR 736 N -0.56 1.62 -4.16 3.45 -2.24 -1.26 -4.85 114.28 106.27 2uva n THR 736 Ca 0.02 -2.02 -0.16 0.00 -2.27 0.00 0.00 64.05 59.62 2uva n THR 736 Cb 0.01 -0.12 -0.15 0.00 -2.10 0.00 0.00 70.33 67.98 2uva n THR 736 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 2uva s PHE 737 N -2.46 0.51 -0.07 4.78 5.36 -1.11 -5.12 117.98 119.87 2uva s PHE 737 Ca 0.28 -0.10 -0.29 0.00 -0.96 0.00 0.00 56.93 55.86 2uva s PHE 737 Cb 0.25 -0.35 -0.07 0.00 -0.34 0.00 0.00 43.02 42.51 2uva s PHE 737 CO 0.01 -0.03 1.95 -2.14 -1.46 0.00 0.00 175.22 173.55 2uva s PRO 738 N 0.01 3.86 -0.46 10.12 0.02 -1.26 -4.71 135.00 142.58 2uva s PRO 738 Ca 0.00 2.31 0.03 0.00 0.02 0.00 0.00 61.00 63.36 2uva s PRO 738 Cb -0.04 -4.18 0.14 0.00 0.02 0.00 0.00 34.50 30.44 2uva s PRO 738 CO -0.00 -1.26 0.26 0.42 -0.33 0.00 0.00 177.00 176.09 2uva s ILE 739 N 5.41 1.59 -0.35 2.83 1.01 -0.26 -1.70 121.20 129.74 2uva s ILE 739 Ca 0.87 -2.76 -0.28 0.00 0.00 0.00 0.00 60.65 58.48 2uva s ILE 739 Cb -0.37 -2.11 -0.01 0.00 0.01 0.00 0.00 42.46 39.98 2uva s ILE 739 CO 0.37 -0.91 1.74 -0.63 0.00 0.00 0.00 174.94 175.52 2uva s ILE 740 N 0.15 3.53 -1.26 2.92 1.09 -0.60 -2.34 121.20 124.70 2uva s ILE 740 Ca 0.19 0.53 -0.09 0.00 -1.10 0.00 0.00 60.65 60.19 2uva s ILE 740 Cb -0.22 -3.74 0.18 0.00 -1.06 0.00 0.00 42.46 37.62 2uva s ILE 740 CO -0.02 -0.49 1.86 -0.11 -0.10 0.00 0.00 174.94 176.08 2uva n LEU 741 N 10.17 6.70 -4.58 2.97 7.94 -0.85 -2.28 117.00 137.08 2uva n LEU 741 Ca 0.22 -4.72 -0.44 0.00 -1.11 0.00 0.00 56.01 49.95 2uva n LEU 741 Cb 0.47 -1.45 -0.04 0.00 0.53 0.00 0.00 43.42 42.94 2uva n LEU 741 CO 0.69 1.45 1.83 0.00 -1.11 0.00 0.00 177.39 180.25 2uva n GLN 742 N 3.47 1.87 -3.43 1.96 6.02 -1.00 -3.42 117.38 122.84 2uva n GLN 742 Ca 0.39 0.52 -0.39 0.00 -0.01 0.00 0.00 57.00 57.52 2uva n GLN 742 Cb 0.35 -3.10 -0.09 0.00 1.02 0.00 0.00 30.24 28.42 2uva n GLN 742 CO 0.00 0.00 0.00 -0.46 -1.01 0.00 0.00 177.06 175.59 2uva s TRP 743 N 7.94 3.25 0.19 1.08 -0.11 -0.90 -3.85 118.94 126.54 2uva s TRP 743 Ca 1.02 0.37 0.05 0.00 1.22 0.00 0.00 56.10 58.76 2uva s TRP 743 Cb -0.43 -2.52 -0.04 0.00 -1.50 0.00 0.00 33.47 28.98 2uva s TRP 743 CO 0.38 -0.19 0.16 0.99 -4.62 0.00 0.00 176.95 173.67 2uva s THR 744 N 1.93 4.50 0.32 5.86 2.01 -1.25 -2.37 115.64 126.64 2uva s THR 744 Ca 0.14 -1.15 0.03 0.00 0.31 0.00 0.00 61.69 61.01 2uva s THR 744 Cb -0.16 -3.34 0.03 0.00 0.01 0.00 0.00 72.50 69.05 2uva s THR 744 CO 0.10 -0.17 0.23 0.61 -0.69 0.00 0.00 174.62 174.70 2uva n GLY 745 N -0.57 2.89 0.23 4.40 0.00 -1.25 -4.80 105.19 106.09 2uva n GLY 745 Ca -0.08 -2.25 0.06 0.00 0.00 0.00 0.00 46.02 43.75 2uva n GLY 745 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2uva h GLY 746 N 0.39 0.00 -2.59 -0.02 0.00 -1.38 -3.13 103.07 96.34 2uva h GLY 746 Ca -0.20 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 46.97 2uva h GLY 746 CO 0.32 0.00 0.19 -0.96 0.00 0.00 0.00 176.54 176.09 2uva n ARG 747 N -4.23 1.77 -1.72 4.80 -4.01 -1.26 -4.58 116.66 107.43 2uva n ARG 747 Ca -0.02 -1.20 -0.29 0.00 -1.04 0.00 0.00 57.85 55.29 2uva n ARG 747 Cb 0.24 -1.55 0.14 0.00 -3.04 0.00 0.00 32.46 28.25 2uva n ARG 747 CO 0.00 0.00 0.00 0.20 -3.04 0.00 0.00 177.63 174.79 2uva s GLY 748 N -0.01 1.63 0.36 2.89 0.00 -1.18 -3.65 107.32 107.37 2uva s GLY 748 Ca 0.22 -0.78 -0.20 0.00 0.00 0.00 0.00 44.72 43.97 2uva s GLY 748 CO 0.05 -0.16 0.86 -0.32 0.00 0.00 0.00 173.10 173.53 2uva s GLY 749 N -4.42 2.45 0.00 0.20 0.00 -1.26 -4.31 107.32 99.98 2uva s GLY 749 Ca 0.66 0.29 0.00 0.00 0.00 0.00 0.00 44.72 45.67 2uva s GLY 749 CO 0.52 0.57 0.00 0.61 0.00 0.00 0.00 173.10 174.81 2uva n GLY 750 N -0.26 3.45 3.54 0.20 0.00 -1.13 -4.56 105.19 106.43 2uva n GLY 750 Ca 0.04 0.06 -0.45 0.00 0.00 0.00 0.00 46.02 45.68 2uva n GLY 750 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2uva n HIS 751 N 14.00 1.77 -4.37 1.61 -0.00 -1.25 -1.79 115.22 125.20 2uva n HIS 751 Ca 0.00 0.03 -0.19 0.00 -0.00 0.00 0.00 57.72 57.56 2uva n HIS 751 Cb 0.00 -2.65 -0.15 0.00 -0.00 0.00 0.00 29.99 27.19 2uva n HIS 751 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 2uva s HIS 752 N 8.41 0.84 0.30 1.57 -0.00 -1.24 -4.93 115.29 120.24 2uva s HIS 752 Ca 1.04 -0.17 -0.05 0.00 -0.00 0.00 0.00 55.06 55.88 2uva s HIS 752 Cb -0.50 -0.56 0.08 0.00 -0.00 0.00 0.00 32.58 31.60 2uva s HIS 752 CO 0.39 -0.03 0.26 -1.13 -0.00 0.00 0.00 174.74 174.22 2uva n SER 753 N 2.97 -1.39 -0.86 7.38 3.41 -1.26 -4.78 113.62 119.08 2uva n SER 753 Ca -0.15 -0.62 0.08 0.00 -0.26 0.00 0.00 58.87 57.93 2uva n SER 753 Cb 0.56 -0.24 0.24 0.00 -0.26 0.00 0.00 64.21 64.51 2uva n SER 753 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 2uva n PHE 754 N -3.13 0.87 -3.06 7.33 3.01 -1.26 -4.57 117.46 116.65 2uva n PHE 754 Ca 0.04 -0.80 -0.28 0.00 1.01 0.00 0.00 57.45 57.42 2uva n PHE 754 Cb 0.14 -0.26 -0.02 0.00 -0.01 0.00 0.00 39.48 39.33 2uva n PHE 754 CO 0.00 0.00 0.00 -1.21 1.01 0.00 0.00 176.76 176.56 2uva s GLU 755 N -2.45 3.63 0.25 -1.08 0.41 -1.26 -2.05 118.70 116.15 2uva s GLU 755 Ca 0.39 0.12 -0.08 0.00 -0.41 0.00 0.00 54.97 54.98 2uva s GLU 755 Cb 0.30 -2.52 -0.06 0.00 -1.78 0.00 0.00 34.13 30.06 2uva s GLU 755 CO 0.10 0.04 0.56 0.34 -0.49 0.00 0.00 175.26 175.81 2uva s ASP 756 N -3.51 6.56 0.25 -0.19 3.68 -1.26 -1.15 116.67 121.05 2uva s ASP 756 Ca 0.46 0.85 -0.04 0.00 2.13 0.00 0.00 52.55 55.95 2uva s ASP 756 Cb -0.10 -2.20 0.30 0.00 -1.45 0.00 0.00 42.92 39.46 2uva s ASP 756 CO 0.35 -0.13 1.80 0.15 0.13 0.00 0.00 175.17 177.47 2uva h PHE 757 N 2.21 1.01 0.00 -5.34 3.04 -1.94 -3.39 116.94 112.53 2uva h PHE 757 Ca -0.47 -0.09 -0.07 0.00 3.98 0.00 0.00 57.97 61.33 2uva h PHE 757 Cb 1.18 -0.30 -0.01 0.00 2.56 0.00 0.00 35.95 39.38 2uva h PHE 757 CO 0.60 0.81 -0.73 0.72 -2.02 0.00 0.00 178.31 177.69 2uva n HIS 758 N -4.27 0.94 0.27 0.41 -0.00 -1.26 -4.18 115.22 107.12 2uva n HIS 758 Ca 0.05 0.41 0.13 0.00 -0.00 0.00 0.00 57.72 58.31 2uva n HIS 758 Cb 0.21 -0.86 0.76 0.00 -0.00 0.00 0.00 29.99 30.10 2uva n HIS 758 CO 0.00 0.00 0.00 1.96 -0.00 0.00 0.00 176.34 178.30 2uva h GLN 759 N -1.00 0.00 -0.19 -0.41 4.20 -1.97 0.25 115.11 115.99 2uva h GLN 759 Ca -0.10 0.00 -0.07 0.00 0.06 0.00 0.00 58.65 58.54 2uva h GLN 759 Cb 0.73 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.51 2uva h GLN 759 CO -0.06 0.09 -0.15 -1.35 -0.67 0.00 0.00 178.83 176.69 2uva h PRO 760 N 0.00 0.43 -0.25 1.46 0.11 -1.79 -2.94 132.00 129.03 2uva h PRO 760 Ca -0.00 -0.21 -0.12 0.00 0.11 0.00 0.00 66.00 65.77 2uva h PRO 760 Cb 0.25 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.35 2uva h PRO 760 CO 0.01 0.77 -0.32 0.82 -0.21 0.00 0.00 178.00 179.07 2uva h ILE 761 N 0.10 1.31 0.00 4.15 1.08 -1.53 -1.37 117.51 121.26 2uva h ILE 761 Ca 0.03 -1.51 0.00 0.00 -0.39 0.00 0.00 64.86 63.00 2uva h ILE 761 Cb 0.67 1.70 0.00 0.00 -3.07 0.00 0.00 36.82 36.12 2uva h ILE 761 CO 0.04 0.47 0.11 0.18 -0.69 0.00 0.00 178.15 178.26 2uva n LEU 762 N -4.28 0.32 -0.04 1.44 4.77 0.80 0.01 117.00 120.03 2uva n LEU 762 Ca -0.05 0.60 -0.02 0.00 -0.03 0.00 0.00 56.01 56.51 2uva n LEU 762 Cb 0.49 -0.61 -0.08 0.00 -2.33 0.00 0.00 43.42 40.88 2uva n LEU 762 CO 0.45 -0.71 -0.78 -0.11 -1.33 0.00 0.00 177.39 174.91 2uva n LEU 763 N -1.93 0.00 -0.06 2.23 7.94 -1.00 -4.69 117.00 119.49 2uva n LEU 763 Ca -0.01 0.00 -0.04 0.00 -1.11 0.00 0.00 56.01 54.85 2uva n LEU 763 Cb 0.12 0.18 -0.12 0.00 0.53 0.00 0.00 43.42 44.14 2uva n LEU 763 CO 0.05 0.18 -0.93 0.23 -1.11 0.00 0.00 177.39 175.82 2uva n MET 764 N -2.24 1.29 -0.29 1.96 2.81 -0.55 -4.67 117.12 115.42 2uva n MET 764 Ca -0.13 -0.04 -0.00 0.00 -1.81 0.00 0.00 57.70 55.72 2uva n MET 764 Cb 0.68 -1.39 0.04 0.00 -0.71 0.00 0.00 33.22 31.84 2uva n MET 764 CO 0.00 0.00 0.00 0.98 1.51 0.00 0.00 175.97 178.46 2uva n TYR 765 N -2.45 0.04 -0.10 2.03 9.36 0.10 -0.14 117.16 126.01 2uva n TYR 765 Ca -0.20 0.94 -0.06 0.00 3.32 0.00 0.00 57.90 61.90 2uva n TYR 765 Cb 0.87 -0.80 -0.00 0.00 -0.63 0.00 0.00 39.34 38.78 2uva n TYR 765 CO 0.00 0.00 0.00 1.03 0.22 0.00 0.00 176.86 178.11 2uva h SER 766 N 0.00 -0.75 -0.29 2.98 0.87 -1.83 -0.31 113.55 114.21 2uva h SER 766 Ca 0.27 0.16 -0.12 0.00 -1.23 0.00 0.00 61.79 60.87 2uva h SER 766 Cb 0.46 0.38 -0.01 0.00 -0.44 0.00 0.00 62.40 62.79 2uva h SER 766 CO -0.76 -0.25 -0.25 0.03 -0.53 0.00 0.00 176.83 175.06 2uva h ARG 767 N -0.17 0.79 0.15 2.24 3.08 -0.85 -2.59 114.38 117.01 2uva h ARG 767 Ca 0.18 -0.33 0.01 0.00 0.07 0.00 0.00 59.98 59.90 2uva h ARG 767 Cb 0.45 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.45 2uva h ARG 767 CO -0.46 0.95 -0.19 0.82 -1.07 0.00 0.00 179.97 180.02 2uva h ILE 768 N 0.68 0.58 -0.98 2.04 2.04 -0.48 -2.81 117.51 118.59 2uva h ILE 768 Ca 0.09 0.00 0.09 0.00 1.00 0.00 0.00 64.86 66.04 2uva h ILE 768 Cb 0.77 0.58 -0.07 0.00 -0.74 0.00 0.00 36.82 37.36 2uva h ILE 768 CO 0.06 0.00 0.63 0.03 0.00 0.00 0.00 178.15 178.87 2uva h ARG 769 N -0.38 1.02 0.00 2.37 2.47 -0.97 -1.82 114.38 117.07 2uva h ARG 769 Ca 0.01 -0.06 0.00 0.00 -1.26 0.00 0.00 59.98 58.67 2uva h ARG 769 Cb 0.38 -0.23 0.00 0.00 -1.65 0.00 0.00 29.97 28.47 2uva h ARG 769 CO -0.08 0.68 0.00 1.63 0.56 0.00 0.00 179.97 182.76 2uva n LYS 770 N -4.55 0.22 -3.88 0.04 5.02 -0.99 -3.99 118.16 110.04 2uva n LYS 770 Ca 0.17 0.05 -0.35 0.00 -2.02 0.00 0.00 58.31 56.15 2uva n LYS 770 Cb 0.27 -1.50 -0.14 0.00 -0.02 0.00 0.00 35.03 33.64 2uva n LYS 770 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2uva h SER 772 N 8.14 0.00 0.64 0.00 4.64 -1.84 -3.18 113.55 121.95 2uva h SER 772 Ca -0.40 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.92 2uva h SER 772 Cb 1.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 2uva h SER 772 CO 0.60 0.19 0.00 0.59 -0.87 0.00 0.00 176.83 177.34 2uva n ASN 773 N -3.42 0.42 -4.75 4.97 3.02 -1.26 -4.81 115.26 109.43 2uva n ASN 773 Ca -0.00 0.60 -0.38 0.00 -0.03 0.00 0.00 54.58 54.77 2uva n ASN 773 Cb 0.38 -0.69 -0.06 0.00 -0.61 0.00 0.00 39.78 38.81 2uva n ASN 773 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2uva s ILE 774 N -3.20 5.08 -0.71 2.41 1.01 -1.20 -1.10 121.20 123.50 2uva s ILE 774 Ca 0.05 1.05 -0.04 0.00 0.00 0.00 0.00 60.65 61.71 2uva s ILE 774 Cb 0.09 -3.85 0.18 0.00 0.01 0.00 0.00 42.46 38.90 2uva s ILE 774 CO 0.34 0.38 0.55 -0.69 0.00 0.00 0.00 174.94 175.53 2uva s VAL 775 N 0.18 4.14 -0.44 2.92 1.01 -0.99 -4.94 120.40 122.29 2uva s VAL 775 Ca 0.28 -3.05 -0.27 0.00 0.00 0.00 0.00 61.98 58.93 2uva s VAL 775 Cb -0.16 -3.64 -0.03 0.00 0.00 0.00 0.00 36.38 32.54 2uva s VAL 775 CO 0.13 -0.94 1.98 -0.22 0.00 0.00 0.00 175.10 176.05 2uva s LEU 776 N -0.27 3.41 -0.37 3.92 2.96 -1.26 -2.01 118.68 125.06 2uva s LEU 776 Ca 0.19 1.03 -0.03 0.00 -0.22 0.00 0.00 54.13 55.10 2uva s LEU 776 Cb -0.16 -3.01 0.09 0.00 0.50 0.00 0.00 46.19 43.60 2uva s LEU 776 CO -0.06 -2.17 0.14 -0.69 -1.32 0.00 0.00 176.35 172.25 2uva s VAL 777 N 8.75 3.25 0.34 1.68 1.01 -1.22 -0.65 120.40 133.56 2uva s VAL 777 Ca 0.82 -1.79 -0.29 0.00 0.00 0.00 0.00 61.98 60.72 2uva s VAL 777 Cb -0.20 -3.10 -0.11 0.00 0.00 0.00 0.00 36.38 32.98 2uva s VAL 777 CO 0.28 -0.48 1.47 0.00 0.00 0.00 0.00 175.10 176.37 2uva s ALA 778 N 1.20 3.60 0.08 5.51 0.00 -1.20 -2.13 121.76 128.82 2uva s ALA 778 Ca 0.04 1.50 -0.22 0.00 0.00 0.00 0.00 51.96 53.27 2uva s ALA 778 Cb -0.22 -3.59 0.06 0.00 0.00 0.00 0.00 23.12 19.37 2uva s ALA 778 CO -0.03 -0.94 0.54 0.20 0.00 0.00 0.00 175.76 175.53 2uva s GLY 779 N -0.03 -0.47 0.00 0.00 0.00 -1.00 0.47 107.32 106.29 2uva s GLY 779 Ca 0.55 0.55 0.00 0.00 0.00 0.00 0.00 44.72 45.82 2uva s GLY 779 CO 0.57 0.25 0.00 -1.26 0.00 0.00 0.00 173.10 172.65 2uva n SER 780 N 0.18 0.00 0.00 1.64 2.88 -1.26 -3.91 113.62 113.15 2uva n SER 780 Ca -0.18 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.36 2uva n SER 780 Cb 0.62 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.08 2uva n SER 780 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2uva n GLY 781 N 2.96 2.64 3.82 0.46 0.00 -1.26 -4.88 105.19 108.93 2uva n GLY 781 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 2uva n GLY 781 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2uva s PHE 782 N -2.12 3.37 0.00 1.61 0.08 -1.26 -4.02 117.98 115.64 2uva s PHE 782 Ca 0.00 1.50 0.00 0.00 0.12 0.00 0.00 56.93 58.55 2uva s PHE 782 Cb 0.00 -2.76 0.00 0.00 -0.57 0.00 0.00 43.02 39.69 2uva s PHE 782 CO 0.00 -0.01 0.00 0.41 -0.10 0.00 0.00 175.22 175.52 2uva n GLY 783 N -0.42 1.00 3.76 4.36 0.00 -1.26 -4.60 105.19 108.03 2uva n GLY 783 Ca 0.05 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.99 2uva n GLY 783 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2uva s GLY 784 N 0.00 0.22 0.40 -0.02 0.00 -1.26 -4.92 107.32 101.73 2uva s GLY 784 Ca 0.00 -0.58 0.22 0.00 0.00 0.00 0.00 44.72 44.35 2uva s GLY 784 CO 0.00 -0.32 1.66 1.48 0.00 0.00 0.00 173.10 175.93 2uva h SER 785 N 2.08 0.00 -0.32 1.64 4.64 -1.92 -2.28 113.55 117.39 2uva h SER 785 Ca -0.23 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.00 2uva h SER 785 Cb 1.25 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.33 2uva h SER 785 CO 0.29 0.24 -0.17 1.05 -0.87 0.00 0.00 176.83 177.37 2uva h GLU 786 N 0.00 0.68 0.06 4.77 9.09 -1.94 0.23 114.58 127.47 2uva h GLU 786 Ca -0.00 -0.30 -0.29 0.00 0.05 0.00 0.00 59.36 58.81 2uva h GLU 786 Cb 0.99 -0.02 -0.03 0.00 -1.65 0.00 0.00 28.75 28.05 2uva h GLU 786 CO 0.03 0.90 -1.57 0.38 0.05 0.00 0.00 179.01 178.80 2uva h ASP 787 N 0.44 0.19 0.22 3.06 2.03 -1.99 -3.35 116.42 117.03 2uva h ASP 787 Ca 0.07 -0.31 -0.01 0.00 -0.73 0.00 0.00 57.03 56.06 2uva h ASP 787 Cb 0.71 -0.06 -0.00 0.00 -0.83 0.00 0.00 39.33 39.14 2uva h ASP 787 CO 0.05 1.26 -0.14 0.74 -1.03 0.00 0.00 179.24 180.12 2uva h THR 788 N 0.03 0.70 -0.83 1.15 2.02 -1.42 -3.29 112.91 111.27 2uva h THR 788 Ca -0.25 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.04 2uva h THR 788 Cb 1.98 0.70 -0.12 0.00 -1.74 0.00 0.00 68.15 68.97 2uva h THR 788 CO 0.12 0.00 -0.41 0.00 0.37 0.00 0.00 175.52 175.60 2uva n TYR 789 N -5.26 -0.17 -0.27 3.16 9.36 0.81 -1.41 117.16 123.37 2uva n TYR 789 Ca -0.09 1.03 0.06 0.00 3.32 0.00 0.00 57.90 62.23 2uva n TYR 789 Cb 0.18 -0.69 0.18 0.00 -0.63 0.00 0.00 39.34 38.38 2uva n TYR 789 CO 0.00 0.00 0.00 -1.35 0.22 0.00 0.00 176.86 175.73 2uva h PRO 790 N 0.00 0.09 -0.03 2.98 0.11 -1.75 0.67 132.00 134.07 2uva h PRO 790 Ca 0.21 -0.01 -0.22 0.00 0.11 0.00 0.00 66.00 66.09 2uva h PRO 790 Cb 0.42 -0.02 0.01 0.00 0.11 0.00 0.00 31.00 31.51 2uva h PRO 790 CO -0.80 0.06 -0.90 1.88 -0.21 0.00 0.00 178.00 178.03 2uva h TYR 791 N 0.09 0.72 -0.02 0.65 -1.99 -1.42 0.60 116.97 115.61 2uva h TYR 791 Ca 0.44 -0.37 0.00 0.00 2.00 0.00 0.00 58.73 60.80 2uva h TYR 791 Cb 0.79 -0.09 -0.00 0.00 2.00 0.00 0.00 36.73 39.43 2uva h TYR 791 CO -0.44 1.18 0.01 1.25 -0.00 0.00 0.00 178.16 180.16 2uva h LEU 792 N 0.30 0.00 0.00 3.88 5.85 0.12 -1.70 115.31 123.77 2uva h LEU 792 Ca -0.08 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.64 2uva h LEU 792 Cb 1.52 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.55 2uva h LEU 792 CO 0.16 0.00 0.00 0.41 -0.34 0.00 0.00 178.44 178.67 2uva n THR 793 N -4.37 0.00 0.00 1.05 -1.04 0.21 -4.03 114.28 106.10 2uva n THR 793 Ca -0.03 0.15 0.00 0.00 -2.04 0.00 0.00 64.05 62.13 2uva n THR 793 Cb 0.10 -0.39 0.00 0.00 -1.82 0.00 0.00 70.33 68.22 2uva n THR 793 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2uva n GLY 794 N 2.28 0.42 0.09 3.41 0.00 0.08 -3.28 105.19 108.18 2uva n GLY 794 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 2uva n GLY 794 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2uva n SER 795 N 0.00 0.94 -0.31 1.61 3.41 -0.49 -1.64 113.62 117.14 2uva n SER 795 Ca 0.00 0.33 0.13 0.00 -0.26 0.00 0.00 58.87 59.07 2uva n SER 795 Cb 0.00 -0.04 0.31 0.00 -0.26 0.00 0.00 64.21 64.22 2uva n SER 795 CO 0.00 0.00 0.00 4.11 -0.16 0.00 0.00 175.04 178.99 2uva h TRP 796 N 0.01 0.70 0.00 7.33 5.08 -1.92 -2.22 115.95 124.93 2uva h TRP 796 Ca -0.34 0.04 0.00 0.00 1.08 0.00 0.00 58.89 59.67 2uva h TRP 796 Cb 2.04 -0.17 0.00 0.00 -3.00 0.00 0.00 29.16 28.04 2uva h TRP 796 CO 0.01 -0.01 0.00 -1.13 -1.28 0.00 0.00 178.44 176.03 2uva n SER 797 N -5.01 0.43 0.08 0.11 3.41 -1.26 -2.32 113.62 109.06 2uva n SER 797 Ca 0.22 0.60 -0.09 0.00 -0.26 0.00 0.00 58.87 59.34 2uva n SER 797 Cb 0.64 -0.69 -0.08 0.00 -0.26 0.00 0.00 64.21 63.83 2uva n SER 797 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 2uva h THR 798 N 0.00 1.60 -0.04 6.66 2.02 -1.26 -2.53 112.91 119.36 2uva h THR 798 Ca 0.00 -3.06 0.01 0.00 0.77 0.00 0.00 66.41 64.14 2uva h THR 798 Cb 0.35 2.73 -0.00 0.00 -1.74 0.00 0.00 68.15 69.49 2uva h THR 798 CO 0.00 0.88 0.05 0.11 0.37 0.00 0.00 175.52 176.93 2uva h LYS 799 N 0.04 0.00 -0.94 6.66 1.57 -1.58 -2.04 116.57 120.28 2uva h LYS 799 Ca -0.05 0.00 -0.56 0.00 -1.87 0.00 0.00 60.65 58.17 2uva h LYS 799 Cb 1.70 0.00 -0.29 0.00 0.08 0.00 0.00 32.23 33.72 2uva h LYS 799 CO 0.14 0.00 0.63 1.19 -0.57 0.00 0.00 179.45 180.84 2uva n PHE 800 N -3.76 2.97 -1.89 -1.35 3.72 -1.18 -4.91 117.46 111.06 2uva n PHE 800 Ca -0.02 -2.33 -0.19 0.00 -0.05 0.00 0.00 57.45 54.86 2uva n PHE 800 Cb 0.14 -1.09 -0.05 0.00 -0.94 0.00 0.00 39.48 37.54 2uva n PHE 800 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2uva n GLY 801 N -1.04 0.84 3.29 1.37 0.00 -0.77 -4.98 105.19 103.91 2uva n GLY 801 Ca 0.58 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.38 2uva n GLY 801 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2uva s TYR 802 N -2.71 1.71 0.88 1.61 2.02 -0.96 -5.04 117.35 114.85 2uva s TYR 802 Ca 0.00 -0.45 -0.14 0.00 -0.37 0.00 0.00 57.07 56.11 2uva s TYR 802 Cb 0.00 -0.91 0.01 0.00 -0.40 0.00 0.00 41.96 40.66 2uva s TYR 802 CO 0.00 0.22 0.43 -2.30 -1.57 0.00 0.00 175.55 172.33 2uva n PRO 803 N 0.81 -0.08 -1.67 -1.71 -0.02 -1.26 -2.89 135.00 128.18 2uva n PRO 803 Ca -0.17 0.02 -0.46 0.00 -2.02 0.00 0.00 63.50 60.87 2uva n PRO 803 Cb 0.55 -1.84 -0.04 0.00 -0.02 0.00 0.00 33.50 32.15 2uva n PRO 803 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2uva n PRO 804 N -1.31 2.22 -3.76 0.52 -0.02 -1.25 -4.48 135.00 126.91 2uva n PRO 804 Ca 0.08 0.80 -0.29 0.00 -2.02 0.00 0.00 63.50 62.06 2uva n PRO 804 Cb 0.52 -2.58 -0.13 0.00 -0.02 0.00 0.00 33.50 31.29 2uva n PRO 804 CO 0.00 0.00 0.00 -1.64 1.98 0.00 0.00 175.50 175.84 2uva s MET 805 N 1.10 1.46 0.44 -0.52 -1.94 -0.65 -4.51 119.30 114.68 2uva s MET 805 Ca 0.79 -2.19 -0.25 0.00 -1.71 0.00 0.00 55.69 52.33 2uva s MET 805 Cb -0.66 -2.55 -0.09 0.00 2.01 0.00 0.00 34.83 33.55 2uva s MET 805 CO 0.38 -1.16 1.41 -2.30 -0.01 0.00 0.00 175.02 173.34 2uva n PRO 806 N 3.37 2.23 -4.26 2.03 -0.02 -1.21 -4.20 135.00 132.95 2uva n PRO 806 Ca 0.09 0.79 -0.32 0.00 -2.02 0.00 0.00 63.50 62.05 2uva n PRO 806 Cb 0.34 -2.60 -0.09 0.00 -0.02 0.00 0.00 33.50 31.14 2uva n PRO 806 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 2uva s PHE 807 N -1.19 3.04 -0.98 6.00 0.40 -0.64 -4.93 117.98 119.68 2uva s PHE 807 Ca 0.61 0.04 0.04 0.00 -0.60 0.00 0.00 56.93 57.02 2uva s PHE 807 Cb -0.46 -1.63 0.21 0.00 0.51 0.00 0.00 43.02 41.65 2uva s PHE 807 CO 0.58 0.46 0.88 -0.25 0.70 0.00 0.00 175.22 177.58 2uva n ASP 808 N 1.20 2.08 0.00 1.36 8.00 0.18 -4.68 116.55 124.68 2uva n ASP 808 Ca -0.14 -2.21 0.00 0.00 0.71 0.00 0.00 54.79 53.15 2uva n ASP 808 Cb 0.52 -0.49 0.00 0.00 -0.02 0.00 0.00 41.12 41.14 2uva n ASP 808 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2uva n GLY 809 N 0.26 -0.90 3.26 0.44 0.00 -1.26 -3.35 105.19 103.64 2uva n GLY 809 Ca 0.07 -1.35 -0.11 0.00 0.00 0.00 0.00 46.02 44.63 2uva n GLY 809 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2uva s MET 811 N -2.80 1.95 -0.08 0.00 0.00 0.18 -1.85 119.30 116.69 2uva s MET 811 Ca -0.03 -0.76 0.03 0.00 0.00 0.00 0.00 55.69 54.93 2uva s MET 811 Cb -0.00 -1.76 0.01 0.00 0.00 0.00 0.00 34.83 33.07 2uva s MET 811 CO -0.05 0.38 -0.18 -0.06 0.00 0.00 0.00 175.02 175.12 2uva s PHE 812 N -0.28 2.00 0.00 4.11 0.40 0.98 -4.02 117.98 121.17 2uva s PHE 812 Ca 0.02 -0.80 0.00 0.00 -0.60 0.00 0.00 56.93 55.55 2uva s PHE 812 Cb -0.10 -1.39 0.00 0.00 0.51 0.00 0.00 43.02 42.04 2uva s PHE 812 CO 0.01 -0.36 0.00 0.41 0.70 0.00 0.00 175.22 175.98 2uva n GLY 813 N 3.71 0.22 0.41 4.36 0.00 -1.26 0.05 105.19 112.68 2uva n GLY 813 Ca -0.21 0.00 0.22 0.00 0.00 0.00 0.00 46.02 46.03 2uva n GLY 813 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2uva h SER 814 N 0.00 0.12 0.48 1.61 0.87 -1.92 -2.61 113.55 112.09 2uva h SER 814 Ca 0.00 0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.56 2uva h SER 814 Cb 0.00 -0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 61.93 2uva h SER 814 CO 0.00 0.05 -0.43 -0.09 -0.53 0.00 0.00 176.83 175.83 2uva h ARG 815 N 0.12 -0.88 0.00 2.24 9.65 -1.81 -3.04 114.38 120.66 2uva h ARG 815 Ca 0.36 0.06 0.00 0.00 -1.10 0.00 0.00 59.98 59.30 2uva h ARG 815 Cb 1.26 0.20 0.00 0.00 -1.39 0.00 0.00 29.97 30.04 2uva h ARG 815 CO -0.05 -0.59 0.00 -1.33 2.80 0.00 0.00 179.97 180.81 2uva n MET 816 N -5.53 0.07 0.08 0.20 0.00 -0.98 -3.33 117.12 107.63 2uva n MET 816 Ca -0.11 0.27 0.10 0.00 0.00 0.00 0.00 57.70 57.95 2uva n MET 816 Cb 0.42 -1.50 0.56 0.00 0.00 0.00 0.00 33.22 32.70 2uva n MET 816 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 175.97 176.49 2uva h MET 817 N 0.00 0.23 -0.60 0.03 2.86 -1.64 -0.49 114.93 115.32 2uva h MET 817 Ca 0.00 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 2uva h MET 817 Cb 0.11 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 31.72 2uva h MET 817 CO 0.00 0.15 0.00 0.25 1.06 0.00 0.00 176.91 178.37 2uva n THR 818 N -4.48 1.15 -2.13 2.22 -2.24 -1.21 -4.55 114.28 103.04 2uva n THR 818 Ca 0.03 -0.74 -0.41 0.00 -2.27 0.00 0.00 64.05 60.67 2uva n THR 818 Cb 0.23 -0.02 -0.02 0.00 -2.10 0.00 0.00 70.33 68.41 2uva n THR 818 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2uva s ALA 819 N -1.73 3.53 0.43 6.98 0.00 -0.19 -1.34 121.76 129.43 2uva s ALA 819 Ca 0.32 1.22 0.40 0.00 0.00 0.00 0.00 51.96 53.91 2uva s ALA 819 Cb 0.21 -3.49 1.98 0.00 0.00 0.00 0.00 23.12 21.82 2uva s ALA 819 CO 0.15 -0.62 2.21 1.57 0.00 0.00 0.00 175.76 179.07 2uva h LYS 820 N 4.33 0.00 -0.36 0.00 5.09 -1.21 0.15 116.57 124.58 2uva h LYS 820 Ca -0.47 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.27 2uva h LYS 820 Cb 1.22 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.55 2uva h LYS 820 CO 0.72 0.00 0.00 -0.85 -2.09 0.00 0.00 179.45 177.23 2uva n GLU 821 N -3.09 2.26 -3.02 0.07 0.28 -1.26 -4.86 120.64 111.01 2uva n GLU 821 Ca -0.01 -1.92 -0.30 0.00 -0.16 0.00 0.00 57.16 54.77 2uva n GLU 821 Cb 0.17 -1.47 -0.04 0.00 1.43 0.00 0.00 31.44 31.54 2uva n GLU 821 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2uva s ALA 822 N -1.53 3.42 -1.07 -1.84 0.00 0.54 -3.91 121.76 117.37 2uva s ALA 822 Ca 0.37 -0.26 0.27 0.00 0.00 0.00 0.00 51.96 52.33 2uva s ALA 822 Cb 0.21 -2.60 0.85 0.00 0.00 0.00 0.00 23.12 21.58 2uva s ALA 822 CO 0.29 0.11 1.65 0.72 0.00 0.00 0.00 175.76 178.53 2uva n HIS 823 N -1.06 0.00 -1.67 0.00 8.25 -1.26 -4.89 115.22 114.59 2uva n HIS 823 Ca 0.01 0.00 -0.62 0.00 -0.26 0.00 0.00 57.72 56.85 2uva n HIS 823 Cb 0.54 -0.34 -0.08 0.00 1.12 0.00 0.00 29.99 31.22 2uva n HIS 823 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 2uva n THR 824 N -1.44 0.07 -0.65 1.59 -1.04 -1.26 -4.73 114.28 106.81 2uva n THR 824 Ca 0.07 -0.01 -0.31 0.00 -2.04 0.00 0.00 64.05 61.75 2uva n THR 824 Cb 0.33 -0.58 0.18 0.00 -1.82 0.00 0.00 70.33 68.44 2uva n THR 824 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 2uva n SER 825 N 3.58 -1.96 0.08 8.00 7.64 -1.07 -4.65 113.62 125.24 2uva n SER 825 Ca 0.26 0.01 -0.03 0.00 1.01 0.00 0.00 58.87 60.12 2uva n SER 825 Cb 0.04 -1.12 -0.01 0.00 -1.01 0.00 0.00 64.21 62.10 2uva n SER 825 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 2uva h LYS 826 N -2.10 -0.20 -0.03 1.43 3.64 -1.90 -1.84 116.57 115.58 2uva h LYS 826 Ca -0.53 0.01 0.01 0.00 -1.27 0.00 0.00 60.65 58.88 2uva h LYS 826 Cb 1.33 0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 33.19 2uva h LYS 826 CO 0.40 -0.13 0.12 -0.56 -2.27 0.00 0.00 179.45 177.01 2uva h GLN 827 N -0.24 0.00 0.43 1.90 -0.00 -1.97 -1.33 115.11 113.90 2uva h GLN 827 Ca -0.02 0.00 -0.02 0.00 -0.00 0.00 0.00 58.65 58.61 2uva h GLN 827 Cb 0.16 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.64 2uva h GLN 827 CO 0.03 0.00 -0.20 0.00 -0.00 0.00 0.00 178.83 178.66 2uva h ALA 828 N 1.79 -0.75 -0.92 0.06 0.00 -1.87 -1.51 119.26 116.05 2uva h ALA 828 Ca 0.01 -0.13 0.26 0.00 0.00 0.00 0.00 54.91 55.06 2uva h ALA 828 Cb 0.25 0.22 -0.14 0.00 0.00 0.00 0.00 17.79 18.12 2uva h ALA 828 CO -0.00 -0.71 0.34 0.87 0.00 0.00 0.00 179.25 179.74 2uva h LYS 829 N -0.85 0.24 0.20 0.00 1.57 -0.40 0.11 116.57 117.44 2uva h LYS 829 Ca -0.06 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.70 2uva h LYS 829 Cb 0.44 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.68 2uva h LYS 829 CO 0.10 0.16 -0.28 0.37 -0.57 0.00 0.00 179.45 179.22 2uva h GLN 830 N 0.24 -0.48 -0.20 3.15 5.75 -1.31 -1.84 115.11 120.42 2uva h GLN 830 Ca 0.61 0.03 0.06 0.00 -0.15 0.00 0.00 58.65 59.20 2uva h GLN 830 Cb 1.29 0.11 -0.01 0.00 1.07 0.00 0.00 27.48 29.94 2uva h GLN 830 CO -0.64 -0.32 0.40 0.00 -2.65 0.00 0.00 178.83 175.61 2uva h ALA 831 N -1.19 1.72 0.20 3.38 0.00 0.14 -1.41 119.26 122.10 2uva h ALA 831 Ca -0.02 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 2uva h ALA 831 Cb 0.46 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.26 2uva h ALA 831 CO -0.08 -0.50 -0.10 0.82 0.00 0.00 0.00 179.25 179.40 2uva h ILE 832 N 0.00 0.79 -0.31 0.00 2.04 -0.11 -3.08 117.51 116.83 2uva h ILE 832 Ca 0.09 -1.00 0.06 0.00 1.00 0.00 0.00 64.86 65.02 2uva h ILE 832 Cb 0.89 1.28 -0.06 0.00 -0.74 0.00 0.00 36.82 38.19 2uva h ILE 832 CO -0.00 0.19 -0.07 0.58 0.00 0.00 0.00 178.15 178.85 2uva h VAL 833 N -0.85 0.70 0.00 1.67 2.07 -0.56 -2.02 116.25 117.26 2uva h VAL 833 Ca -0.03 -0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.49 2uva h VAL 833 Cb 0.52 0.68 0.00 0.00 -1.52 0.00 0.00 31.29 30.97 2uva h VAL 833 CO 0.04 0.00 0.10 0.47 0.02 0.00 0.00 177.57 178.21 2uva n ASP 834 N -5.25 0.16 -4.65 0.57 9.92 -0.62 -4.42 116.55 112.25 2uva n ASP 834 Ca 0.00 0.50 -0.43 0.00 -0.53 0.00 0.00 54.79 54.34 2uva n ASP 834 Cb 0.18 -0.51 -0.02 0.00 -0.64 0.00 0.00 41.12 40.13 2uva n ASP 834 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2uva s ALA 835 N -3.04 3.56 -0.53 2.24 0.00 -0.76 -4.96 121.76 118.27 2uva s ALA 835 Ca -0.01 0.48 -0.28 0.00 0.00 0.00 0.00 51.96 52.15 2uva s ALA 835 Cb 0.02 -3.69 0.01 0.00 0.00 0.00 0.00 23.12 19.46 2uva s ALA 835 CO 0.05 -1.40 1.44 -2.14 0.00 0.00 0.00 175.76 173.72 2uva s PRO 836 N 3.83 3.33 1.29 0.00 0.02 -1.26 -3.63 135.00 138.57 2uva s PRO 836 Ca 0.60 0.57 -0.19 0.00 0.02 0.00 0.00 61.00 61.99 2uva s PRO 836 Cb -0.23 -4.12 0.29 0.00 0.02 0.00 0.00 34.50 30.47 2uva s PRO 836 CO 0.20 -1.90 0.69 0.41 -0.33 0.00 0.00 177.00 176.07 2uva n GLY 837 N 5.25 -3.11 3.06 0.52 0.00 -1.26 -3.80 105.19 105.84 2uva n GLY 837 Ca 0.14 -1.32 -0.14 0.00 0.00 0.00 0.00 46.02 44.70 2uva n GLY 837 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2uva s VAL 838 N -2.17 0.58 0.99 1.61 1.01 -0.30 -4.77 120.40 117.34 2uva s VAL 838 Ca 0.59 -1.02 -0.12 0.00 0.00 0.00 0.00 61.98 61.43 2uva s VAL 838 Cb -0.13 -0.62 0.18 0.00 0.00 0.00 0.00 36.38 35.80 2uva s VAL 838 CO 0.54 -0.33 1.09 -1.81 0.00 0.00 0.00 175.10 174.60 2uva s ASP 839 N -1.47 2.73 0.65 3.32 1.01 -1.26 -4.02 116.67 117.63 2uva s ASP 839 Ca -0.08 1.23 0.30 0.00 0.71 0.00 0.00 52.55 54.71 2uva s ASP 839 Cb -0.09 -1.90 1.65 0.00 1.01 0.00 0.00 42.92 43.59 2uva s ASP 839 CO 0.00 -3.07 1.95 -0.78 0.21 0.00 0.00 175.17 173.48 2uva h ASP 840 N -1.85 0.00 0.00 0.27 3.58 -1.97 -3.03 116.42 113.41 2uva h ASP 840 Ca -0.54 0.00 0.00 0.00 0.42 0.00 0.00 57.03 56.91 2uva h ASP 840 Cb 1.32 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.37 2uva h ASP 840 CO 0.57 0.00 0.00 0.47 -2.88 0.00 0.00 179.24 177.40 2uva n ASP 841 N -3.05 0.00 -2.73 2.28 8.00 -1.26 -3.62 116.55 116.17 2uva n ASP 841 Ca -0.01 0.77 -0.37 0.00 0.71 0.00 0.00 54.79 55.90 2uva n ASP 841 Cb 0.40 -0.27 0.04 0.00 -0.02 0.00 0.00 41.12 41.27 2uva n ASP 841 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2uva n GLN 842 N -1.76 2.89 0.07 -1.24 6.02 -1.15 -4.61 117.38 117.60 2uva n GLN 842 Ca 0.00 -3.68 -0.21 0.00 -0.01 0.00 0.00 57.00 53.11 2uva n GLN 842 Cb 0.00 -2.27 -0.12 0.00 1.02 0.00 0.00 30.24 28.87 2uva n GLN 842 CO 0.00 0.00 0.00 0.11 -1.01 0.00 0.00 177.06 176.16 2uva h TRP 843 N 2.76 1.00 0.00 1.08 5.08 -1.62 -3.20 115.95 121.05 2uva h TRP 843 Ca 0.52 -0.59 0.00 0.00 1.08 0.00 0.00 58.89 59.90 2uva h TRP 843 Cb 0.33 -0.09 0.00 0.00 -3.00 0.00 0.00 29.16 26.40 2uva h TRP 843 CO 1.14 1.43 0.00 0.39 -1.28 0.00 0.00 178.44 180.13 2uva n GLU 844 N -3.81 0.13 0.00 0.12 1.02 -1.26 -2.49 120.64 114.34 2uva n GLU 844 Ca -0.12 0.59 0.03 0.00 -0.02 0.00 0.00 57.16 57.64 2uva n GLU 844 Cb 0.94 -1.89 0.14 0.00 -0.02 0.00 0.00 31.44 30.62 2uva n GLU 844 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2uva n ASN 845 N -2.15 0.00 -0.28 1.62 4.13 -1.21 -2.40 115.26 114.97 2uva n ASN 845 Ca -0.01 0.28 -0.05 0.00 1.68 0.00 0.00 54.58 56.49 2uva n ASN 845 Cb 0.06 -0.34 0.06 0.00 -1.54 0.00 0.00 39.78 38.02 2uva n ASN 845 CO 0.00 0.00 0.00 0.74 0.28 0.00 0.00 177.26 178.28 2uva h THR 846 N 0.00 1.20 -0.30 3.41 2.02 -1.69 -1.57 112.91 115.98 2uva h THR 846 Ca 0.00 -0.36 0.09 0.00 0.77 0.00 0.00 66.41 66.91 2uva h THR 846 Cb 0.07 0.08 -0.01 0.00 -1.74 0.00 0.00 68.15 66.55 2uva h THR 846 CO 0.00 0.19 0.33 1.88 0.37 0.00 0.00 175.52 178.29 2uva h TYR 847 N 1.03 0.00 0.00 3.16 0.99 -1.76 -3.15 116.97 117.23 2uva h TYR 847 Ca 0.28 0.00 -0.09 0.00 2.00 0.00 0.00 58.73 60.92 2uva h TYR 847 Cb -0.11 0.00 -0.02 0.00 1.00 0.00 0.00 36.73 37.60 2uva h TYR 847 CO -0.02 0.00 -1.32 0.36 -0.00 0.00 0.00 178.16 177.18 2uva n LYS 848 N -3.78 1.09 -4.46 4.88 2.85 -1.11 -4.89 118.16 112.73 2uva n LYS 848 Ca 0.05 0.02 -0.22 0.00 -1.05 0.00 0.00 58.31 57.11 2uva n LYS 848 Cb 0.48 -1.12 -0.11 0.00 -0.65 0.00 0.00 35.03 33.64 2uva n LYS 848 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 177.40 178.38 2uva s ARG 849 N -2.11 1.64 -1.14 -1.58 0.52 -0.61 -5.02 118.95 110.66 2uva s ARG 849 Ca -0.06 -1.87 -0.08 0.00 -0.52 0.00 0.00 55.73 53.20 2uva s ARG 849 Cb 0.02 -1.13 -0.06 0.00 0.52 0.00 0.00 34.95 34.30 2uva s ARG 849 CO 0.15 -0.05 2.36 -2.30 0.02 0.00 0.00 175.30 175.48 2uva n PRO 850 N -0.67 2.57 -2.00 3.54 -0.02 -1.26 -4.39 135.00 132.76 2uva n PRO 850 Ca -0.04 -1.71 -0.42 0.00 -2.02 0.00 0.00 63.50 59.30 2uva n PRO 850 Cb 0.65 -2.58 -0.03 0.00 -0.02 0.00 0.00 33.50 31.52 2uva n PRO 850 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 2uva s THR 851 N 3.08 3.24 0.00 3.45 2.01 -1.17 -4.48 115.64 121.78 2uva s THR 851 Ca 0.49 0.65 0.00 0.00 0.31 0.00 0.00 61.69 63.14 2uva s THR 851 Cb 0.13 -3.42 0.00 0.00 0.01 0.00 0.00 72.50 69.22 2uva s THR 851 CO -0.04 -0.01 0.00 0.61 -0.69 0.00 0.00 174.62 174.50 2uva n GLY 852 N 3.92 1.44 0.00 4.40 0.00 -1.26 -2.20 105.19 111.49 2uva n GLY 852 Ca 0.15 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.31 2uva n GLY 852 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2uva n GLY 853 N 0.00 0.45 3.59 -0.02 0.00 -1.25 -4.60 105.19 103.36 2uva n GLY 853 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 2uva n GLY 853 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2uva s VAL 854 N -0.25 3.51 0.23 1.61 -7.23 -0.93 0.44 120.40 117.78 2uva s VAL 854 Ca 0.00 -1.04 0.05 0.00 -1.81 0.00 0.00 61.98 59.18 2uva s VAL 854 Cb 0.00 -2.59 -0.05 0.00 0.56 0.00 0.00 36.38 34.29 2uva s VAL 854 CO 0.00 0.23 -0.05 -0.51 -0.31 0.00 0.00 175.10 174.46 2uva s ILE 855 N -1.12 1.34 -0.04 -0.62 -1.16 0.05 -3.01 121.20 116.63 2uva s ILE 855 Ca 0.20 -2.09 -0.00 0.00 -0.51 0.00 0.00 60.65 58.25 2uva s ILE 855 Cb -0.11 -2.29 -0.03 0.00 0.61 0.00 0.00 42.46 40.64 2uva s ILE 855 CO 0.11 -0.40 0.01 0.42 -2.81 0.00 0.00 174.94 172.28 2uva s THR 856 N -3.22 4.30 0.03 4.00 -4.23 -1.21 -1.19 115.64 114.13 2uva s THR 856 Ca 0.27 -0.41 -0.19 0.00 -1.18 0.00 0.00 61.69 60.19 2uva s THR 856 Cb 0.04 -2.87 0.04 0.00 1.34 0.00 0.00 72.50 71.04 2uva s THR 856 CO 0.09 0.48 0.42 -0.69 -0.54 0.00 0.00 174.62 174.38 2uva s VAL 857 N -1.00 0.05 0.05 2.29 1.01 0.10 -4.88 120.40 118.02 2uva s VAL 857 Ca 0.17 -0.42 -0.17 0.00 0.00 0.00 0.00 61.98 61.56 2uva s VAL 857 Cb -0.11 -0.91 -0.06 0.00 0.00 0.00 0.00 36.38 35.29 2uva s VAL 857 CO 0.07 -0.23 0.49 -0.76 0.00 0.00 0.00 175.10 174.66 2uva s LEU 858 N -1.87 4.49 0.00 3.92 1.43 -1.26 -0.17 118.68 125.22 2uva s LEU 858 Ca -0.07 1.10 -0.08 0.00 -1.03 0.00 0.00 54.13 54.06 2uva s LEU 858 Cb -0.01 -2.79 0.14 0.00 0.03 0.00 0.00 46.19 43.56 2uva s LEU 858 CO -0.01 0.28 0.87 -0.24 0.23 0.00 0.00 176.35 177.49 2uva n SER 859 N 1.67 0.39 0.22 2.29 2.88 0.21 -4.86 113.62 116.41 2uva n SER 859 Ca -0.12 -1.51 -0.17 0.00 -1.33 0.00 0.00 58.87 55.74 2uva n SER 859 Cb 0.52 -0.64 -0.09 0.00 -0.75 0.00 0.00 64.21 63.25 2uva n SER 859 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 2uva h GLU 860 N 0.00 -0.85 0.00 -1.46 5.08 -1.88 -2.55 114.58 112.92 2uva h GLU 860 Ca -0.28 0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.13 2uva h GLU 860 Cb 0.86 0.19 0.00 0.00 0.50 0.00 0.00 28.75 30.30 2uva h GLU 860 CO 0.23 -0.57 0.00 -1.33 -1.00 0.00 0.00 179.01 176.34 2uva n MET 861 N -5.53 0.11 0.00 2.33 2.81 -1.26 -4.82 117.12 110.76 2uva n MET 861 Ca -0.10 0.44 0.00 0.00 -1.81 0.00 0.00 57.70 56.22 2uva n MET 861 Cb 0.43 -1.76 0.00 0.00 -0.71 0.00 0.00 33.22 31.19 2uva n MET 861 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2uva n GLY 862 N -0.45 0.80 3.89 3.03 0.00 -0.96 -5.09 105.19 106.41 2uva n GLY 862 Ca 0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.74 2uva n GLY 862 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2uva s GLU 863 N -0.90 3.65 0.46 1.61 -1.05 -1.26 -4.37 118.70 116.85 2uva s GLU 863 Ca 0.00 0.40 -0.23 0.00 -0.15 0.00 0.00 54.97 55.00 2uva s GLU 863 Cb 0.00 -2.33 -0.08 0.00 -0.44 0.00 0.00 34.13 31.28 2uva s GLU 863 CO 0.00 -0.19 1.13 -2.14 0.95 0.00 0.00 175.26 175.01 2uva s PRO 864 N -4.43 3.79 0.00 -4.83 0.02 -1.26 0.63 135.00 128.92 2uva s PRO 864 Ca 0.50 1.67 -0.05 0.00 0.02 0.00 0.00 61.00 63.15 2uva s PRO 864 Cb -0.10 -2.36 -0.00 0.00 0.02 0.00 0.00 34.50 32.05 2uva s PRO 864 CO 0.40 -0.50 0.09 0.42 -0.33 0.00 0.00 177.00 177.08 2uva s ILE 865 N -1.62 0.08 -0.34 2.83 1.01 0.76 -3.61 121.20 120.31 2uva s ILE 865 Ca 0.64 -0.66 -0.11 0.00 0.00 0.00 0.00 60.65 60.52 2uva s ILE 865 Cb -0.26 -0.35 0.00 0.00 0.01 0.00 0.00 42.46 41.87 2uva s ILE 865 CO 0.31 -0.36 0.19 -1.00 0.00 0.00 0.00 174.94 174.07 2uva s HIS 866 N -1.22 3.21 0.16 3.97 3.76 -0.74 -0.73 115.29 123.71 2uva s HIS 866 Ca -0.13 -0.67 0.09 0.00 -0.15 0.00 0.00 55.06 54.20 2uva s HIS 866 Cb -0.07 -2.41 -0.04 0.00 1.11 0.00 0.00 32.58 31.17 2uva s HIS 866 CO 0.01 -0.52 -0.20 0.15 -0.85 0.00 0.00 174.74 173.33 2uva s LYS 867 N 1.61 1.30 -0.11 1.40 1.02 -0.33 -2.37 119.74 122.25 2uva s LYS 867 Ca 0.04 -1.39 -0.29 0.00 0.02 0.00 0.00 55.97 54.35 2uva s LYS 867 Cb -0.18 -1.44 -0.05 0.00 -0.52 0.00 0.00 37.83 35.64 2uva s LYS 867 CO 0.07 0.30 1.74 -1.17 -0.92 0.00 0.00 175.35 175.38 2uva s LEU 868 N -2.54 4.12 -0.63 3.17 2.96 0.62 -0.77 118.68 125.62 2uva s LEU 868 Ca 0.15 2.07 -0.22 0.00 -0.22 0.00 0.00 54.13 55.92 2uva s LEU 868 Cb -0.07 -3.53 -0.18 0.00 0.50 0.00 0.00 46.19 42.91 2uva s LEU 868 CO 0.07 -1.15 1.86 0.00 -1.32 0.00 0.00 176.35 175.81 2uva n ALA 869 N 8.04 2.95 -1.47 5.97 0.00 0.17 -4.56 120.51 131.61 2uva n ALA 869 Ca 0.19 -3.00 -0.30 0.00 0.00 0.00 0.00 53.44 50.33 2uva n ALA 869 Cb 0.43 -3.57 0.22 0.00 0.00 0.00 0.00 19.45 16.53 2uva n ALA 869 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2uva s THR 870 N 5.20 1.77 0.12 0.00 -4.23 -1.26 -4.78 115.64 112.46 2uva s THR 870 Ca 0.56 0.00 -0.23 0.00 -1.18 0.00 0.00 61.69 60.85 2uva s THR 870 Cb 0.14 -2.73 -0.07 0.00 1.34 0.00 0.00 72.50 71.18 2uva s THR 870 CO 0.14 0.00 1.69 0.03 -0.54 0.00 0.00 174.62 175.94 2uva h ARG 871 N -2.19 -0.15 0.15 3.99 3.08 -0.62 -1.59 114.38 117.05 2uva h ARG 871 Ca -0.44 0.01 0.01 0.00 0.07 0.00 0.00 59.98 59.62 2uva h ARG 871 Cb 1.26 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 31.33 2uva h ARG 871 CO 0.34 -0.10 -0.17 0.78 -1.07 0.00 0.00 179.97 179.75 2uva h GLY 872 N -0.16 -0.34 1.96 0.04 0.00 -1.12 -2.40 103.07 101.06 2uva h GLY 872 Ca 0.06 0.19 0.00 0.00 0.00 0.00 0.00 47.33 47.58 2uva h GLY 872 CO -0.14 -0.16 0.01 -2.08 0.00 0.00 0.00 176.54 174.16 2uva h VAL 873 N -0.36 0.79 -0.13 4.60 2.07 -1.77 0.79 116.25 122.25 2uva h VAL 873 Ca 0.01 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.46 2uva h VAL 873 Cb 0.35 0.99 -0.00 0.00 -1.52 0.00 0.00 31.29 31.11 2uva h VAL 873 CO -0.05 0.00 -0.19 -0.07 0.02 0.00 0.00 177.57 177.28 2uva h LEU 874 N 0.00 0.39 -0.91 2.57 3.38 -0.83 -1.06 115.31 118.85 2uva h LEU 874 Ca 0.01 -0.52 -0.04 0.00 0.09 0.00 0.00 57.88 57.41 2uva h LEU 874 Cb 0.03 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 2uva h LEU 874 CO -0.00 0.84 0.30 0.15 0.09 0.00 0.00 178.44 179.82 2uva h PHE 875 N -0.05 1.11 -0.79 1.13 3.57 -0.80 -1.54 116.94 119.57 2uva h PHE 875 Ca 0.01 -0.07 0.06 0.00 3.53 0.00 0.00 57.97 61.50 2uva h PHE 875 Cb 0.75 -0.34 -0.06 0.00 2.79 0.00 0.00 35.95 39.10 2uva h PHE 875 CO 0.10 0.84 0.47 2.35 -2.23 0.00 0.00 178.31 179.84 2uva h TRP 876 N 1.07 0.87 -0.60 0.41 2.91 -0.78 -1.48 115.95 118.35 2uva h TRP 876 Ca 0.25 0.03 -0.01 0.00 1.13 0.00 0.00 58.89 60.29 2uva h TRP 876 Cb 0.19 -0.28 -0.03 0.00 -0.51 0.00 0.00 29.16 28.54 2uva h TRP 876 CO 0.02 0.43 0.36 -0.22 -1.03 0.00 0.00 178.44 177.99 2uva h LYS 877 N 0.86 0.82 -0.13 2.65 1.63 -0.62 -1.86 116.57 119.92 2uva h LYS 877 Ca 0.35 -0.08 0.05 0.00 -0.85 0.00 0.00 60.65 60.12 2uva h LYS 877 Cb 0.19 -0.17 -0.06 0.00 -0.60 0.00 0.00 32.23 31.59 2uva h LYS 877 CO -0.18 0.60 -0.29 0.93 -3.45 0.00 0.00 179.45 177.05 2uva h GLU 878 N 0.81 -0.35 -0.45 1.90 5.08 -0.33 -2.24 114.58 119.00 2uva h GLU 878 Ca 0.22 0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.57 2uva h GLU 878 Cb -0.01 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.30 2uva h GLU 878 CO -0.04 -0.23 0.18 -0.07 -1.00 0.00 0.00 179.01 177.84 2uva h LEU 879 N -0.36 0.58 -1.98 1.33 3.38 -1.20 0.43 115.31 117.49 2uva h LEU 879 Ca 0.10 -0.06 0.25 0.00 0.09 0.00 0.00 57.88 58.25 2uva h LEU 879 Cb 0.52 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.08 2uva h LEU 879 CO -0.34 0.53 0.64 0.44 0.09 0.00 0.00 178.44 179.80 2uva h ASP 880 N 0.64 0.00 0.00 -0.43 3.32 -0.72 0.16 116.42 119.39 2uva h ASP 880 Ca 0.16 0.00 -0.32 0.00 0.02 0.00 0.00 57.03 56.89 2uva h ASP 880 Cb 0.13 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 39.63 2uva h ASP 880 CO -0.02 0.00 -2.19 -0.67 -1.72 0.00 0.00 179.24 174.64 2uva n ASP 881 N -4.18 0.91 -0.07 6.45 -0.08 -0.00 -3.13 116.55 116.45 2uva n ASP 881 Ca 0.17 -0.01 -0.06 0.00 -1.51 0.00 0.00 54.79 53.38 2uva n ASP 881 Cb 0.94 0.78 -0.14 0.00 2.34 0.00 0.00 41.12 45.05 2uva n ASP 881 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 2uva n LYS 882 N -2.70 1.09 -0.00 -0.67 5.02 -0.36 -4.50 118.16 116.04 2uva n LYS 882 Ca -0.29 -0.03 -0.04 0.00 -2.02 0.00 0.00 58.31 55.92 2uva n LYS 882 Cb 1.05 -1.44 -0.01 0.00 -0.02 0.00 0.00 35.03 34.60 2uva n LYS 882 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 2uva n ILE 883 N -2.56 1.10 1.48 -0.18 -0.00 -0.05 -4.65 119.36 114.49 2uva n ILE 883 Ca -0.24 0.23 0.08 0.00 -0.00 0.00 0.00 62.75 62.81 2uva n ILE 883 Cb 0.98 -1.76 0.45 0.00 -0.00 0.00 0.00 39.64 39.31 2uva n ILE 883 CO 0.00 0.00 0.00 0.49 -0.00 0.00 0.00 176.55 177.04 2uva n PHE 884 N -3.67 0.00 0.10 1.39 3.01 0.38 -2.35 117.46 116.32 2uva n PHE 884 Ca -0.07 0.00 0.08 0.00 1.01 0.00 0.00 57.45 58.47 2uva n PHE 884 Cb 0.26 0.00 -0.00 0.00 -0.01 0.00 0.00 39.48 39.73 2uva n PHE 884 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 2uva h SER 885 N 0.00 0.00 -3.34 4.37 0.87 -1.72 -3.48 113.55 110.25 2uva h SER 885 Ca 0.00 0.00 -0.55 0.00 -1.23 0.00 0.00 61.79 60.01 2uva h SER 885 Cb 0.00 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 61.93 2uva h SER 885 CO 0.00 0.18 -0.18 -0.76 -0.53 0.00 0.00 176.83 175.54 2uva s LEU 886 N -5.64 4.20 0.50 2.23 1.43 -0.99 -5.04 118.68 115.37 2uva s LEU 886 Ca 0.00 0.80 -0.22 0.00 -1.03 0.00 0.00 54.13 53.68 2uva s LEU 886 Cb 0.09 -3.55 -0.07 0.00 0.03 0.00 0.00 46.19 42.68 2uva s LEU 886 CO 0.78 -0.03 1.14 0.47 0.23 0.00 0.00 176.35 178.94 2uva n ASP 887 N -0.09 1.77 -0.28 2.29 8.00 -1.26 -4.74 116.55 122.25 2uva n ASP 887 Ca -0.01 0.97 0.18 0.00 0.71 0.00 0.00 54.79 56.65 2uva n ASP 887 Cb 0.52 -1.45 0.35 0.00 -0.02 0.00 0.00 41.12 40.51 2uva n ASP 887 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2uva n ARG 888 N -0.49 -0.06 0.29 -1.24 5.12 -1.26 -1.79 116.66 117.23 2uva n ARG 888 Ca 0.10 1.20 -0.12 0.00 -1.93 0.00 0.00 57.85 57.10 2uva n ARG 888 Cb 0.43 -2.00 -0.06 0.00 -1.16 0.00 0.00 32.46 29.67 2uva n ARG 888 CO 0.00 0.00 0.00 0.66 -1.93 0.00 0.00 177.63 176.36 2uva h SER 889 N 0.00 -0.64 0.00 0.55 4.64 -2.00 -3.20 113.55 112.90 2uva h SER 889 Ca 0.58 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.93 2uva h SER 889 Cb 1.38 0.17 0.00 0.00 -0.31 0.00 0.00 62.40 63.63 2uva h SER 889 CO -0.72 -0.36 0.00 0.29 -0.87 0.00 0.00 176.83 175.17 2uva n LYS 890 N -4.60 0.22 0.06 4.77 5.02 -0.74 -3.21 118.16 119.68 2uva n LYS 890 Ca -0.09 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.07 2uva n LYS 890 Cb 0.30 -1.38 -0.09 0.00 -0.02 0.00 0.00 35.03 33.85 2uva n LYS 890 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2uva h ARG 891 N 0.00 -0.19 -1.00 1.97 3.08 -1.53 -3.14 114.38 113.58 2uva h ARG 891 Ca 0.00 0.01 0.08 0.00 0.07 0.00 0.00 59.98 60.14 2uva h ARG 891 Cb 0.00 0.04 -0.07 0.00 0.08 0.00 0.00 29.97 30.02 2uva h ARG 891 CO 0.00 0.24 0.64 0.28 -1.07 0.00 0.00 179.97 180.06 2uva h VAL 892 N -0.72 1.04 -0.23 2.04 2.07 -1.76 -1.90 116.25 116.80 2uva h VAL 892 Ca -0.02 -0.38 0.05 0.00 0.82 0.00 0.00 66.70 67.17 2uva h VAL 892 Cb 0.52 -0.17 -0.05 0.00 -1.52 0.00 0.00 31.29 30.06 2uva h VAL 892 CO 0.03 0.20 -0.11 0.00 0.02 0.00 0.00 177.57 177.72 2uva h ALA 893 N 1.48 0.08 -0.29 1.67 0.00 -1.76 -2.27 119.26 118.17 2uva h ALA 893 Ca 0.45 0.09 -0.09 0.00 0.00 0.00 0.00 54.91 55.35 2uva h ALA 893 Cb 0.26 0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 2uva h ALA 893 CO -0.20 -0.53 -0.22 1.49 0.00 0.00 0.00 179.25 179.80 2uva h GLU 894 N -0.09 0.55 -0.60 0.00 4.57 -1.35 -2.73 114.58 114.92 2uva h GLU 894 Ca 0.12 -0.20 -0.01 0.00 -1.18 0.00 0.00 59.36 58.10 2uva h GLU 894 Cb 0.27 -0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 28.79 2uva h GLU 894 CO -0.28 0.73 0.35 -0.07 -1.18 0.00 0.00 179.01 178.56 2uva h LEU 895 N 0.49 0.72 -0.87 1.64 3.38 -0.93 -1.96 115.31 117.78 2uva h LEU 895 Ca 0.07 -0.04 -0.08 0.00 0.09 0.00 0.00 57.88 57.93 2uva h LEU 895 Cb 0.65 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 2uva h LEU 895 CO 0.05 0.57 -0.36 0.11 0.09 0.00 0.00 178.44 178.90 2uva h LYS 896 N 0.83 0.00 0.00 1.13 1.57 -1.11 -0.06 116.57 118.92 2uva h LYS 896 Ca 0.22 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.90 2uva h LYS 896 Cb -0.01 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 2uva h LYS 896 CO -0.04 0.36 -0.67 1.57 -0.57 0.00 0.00 179.45 180.10 2uva h LYS 897 N 0.00 0.00 -0.15 3.15 2.10 -1.24 -3.26 116.57 117.17 2uva h LYS 897 Ca -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2uva h LYS 897 Cb 0.92 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.25 2uva h LYS 897 CO 0.05 0.33 0.00 0.54 -2.00 0.00 0.00 179.45 178.37 2uva n ARG 898 N -3.08 2.32 -0.12 0.07 1.74 -0.90 -4.87 116.66 111.82 2uva n ARG 898 Ca -0.00 -2.58 -0.13 0.00 -0.77 0.00 0.00 57.85 54.36 2uva n ARG 898 Cb 0.71 -1.61 -0.09 0.00 -1.02 0.00 0.00 32.46 30.45 2uva n ARG 898 CO 0.00 0.00 0.00 -0.09 -1.52 0.00 0.00 177.63 176.02 2uva h ARG 899 N 1.02 -0.40 0.00 5.56 2.43 -1.05 -0.51 114.38 121.44 2uva h ARG 899 Ca 0.00 0.03 -0.04 0.00 -0.81 0.00 0.00 59.98 59.16 2uva h ARG 899 Cb 1.15 0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.79 2uva h ARG 899 CO 0.11 -0.26 -0.17 0.38 -1.51 0.00 0.00 179.97 178.51 2uva h ASP 900 N -0.41 0.00 -0.25 -3.80 -0.00 -1.88 -1.19 116.42 108.89 2uva h ASP 900 Ca 0.08 0.00 -0.11 0.00 -0.00 0.00 0.00 57.03 57.00 2uva h ASP 900 Cb 0.61 0.00 -0.00 0.00 -0.00 0.00 0.00 39.33 39.94 2uva h ASP 900 CO -0.57 0.17 -0.29 0.22 -0.00 0.00 0.00 179.24 178.77 2uva h TYR 901 N 0.00 0.77 0.00 4.15 3.20 -1.59 -1.79 116.97 121.71 2uva h TYR 901 Ca -0.00 -0.24 -0.02 0.00 3.14 0.00 0.00 58.73 61.60 2uva h TYR 901 Cb 0.73 -0.16 -0.00 0.00 1.54 0.00 0.00 36.73 38.84 2uva h TYR 901 CO 0.00 0.97 -0.11 0.82 -1.64 0.00 0.00 178.16 178.20 2uva h ILE 902 N 0.34 0.32 0.11 1.81 2.04 -0.74 -2.45 117.51 118.94 2uva h ILE 902 Ca 0.03 -0.73 -0.29 0.00 1.00 0.00 0.00 64.86 64.87 2uva h ILE 902 Cb 0.87 1.56 -0.01 0.00 -0.74 0.00 0.00 36.82 38.50 2uva h ILE 902 CO 0.07 0.11 -1.43 -0.29 0.00 0.00 0.00 178.15 176.61 2uva h ILE 903 N 0.00 1.27 0.24 -0.67 2.10 -1.07 -1.52 117.51 117.86 2uva h ILE 903 Ca -0.00 -2.90 -0.01 0.00 1.08 0.00 0.00 64.86 63.02 2uva h ILE 903 Cb 0.55 2.80 0.00 0.00 -1.09 0.00 0.00 36.82 39.08 2uva h ILE 903 CO 0.01 0.83 -0.12 0.11 -1.08 0.00 0.00 178.15 177.91 2uva h LYS 904 N 0.06 -0.32 -0.73 2.19 1.79 -1.20 -0.75 116.57 117.62 2uva h LYS 904 Ca -0.20 0.02 0.04 0.00 -2.18 0.00 0.00 60.65 58.33 2uva h LYS 904 Cb 1.99 0.07 -0.04 0.00 -1.58 0.00 0.00 32.23 32.67 2uva h LYS 904 CO 0.17 -0.04 0.48 0.87 -1.08 0.00 0.00 179.45 179.85 2uva h LYS 905 N -0.59 0.85 0.79 3.15 1.57 -1.52 0.62 116.57 121.44 2uva h LYS 905 Ca -0.03 -0.05 -0.04 0.00 -1.87 0.00 0.00 60.65 58.66 2uva h LYS 905 Cb 0.43 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.55 2uva h LYS 905 CO 0.06 0.56 -0.44 -0.07 -0.57 0.00 0.00 179.45 178.99 2uva h LEU 906 N 0.87 -1.09 -1.18 2.94 -0.00 -1.22 -2.81 115.31 112.82 2uva h LEU 906 Ca 0.29 0.05 0.12 0.00 -0.00 0.00 0.00 57.88 58.34 2uva h LEU 906 Cb 0.08 0.30 -0.07 0.00 -0.00 0.00 0.00 40.66 40.97 2uva h LEU 906 CO -0.09 -0.70 0.59 0.78 -0.00 0.00 0.00 178.44 179.02 2uva h ASN 907 N -1.14 0.79 0.00 -0.43 4.21 -0.51 -3.16 115.58 115.34 2uva h ASN 907 Ca -0.11 0.03 0.00 0.00 1.21 0.00 0.00 56.30 57.44 2uva h ASN 907 Cb 0.90 -0.13 0.00 0.00 -1.12 0.00 0.00 38.32 37.97 2uva h ASN 907 CO 0.14 0.44 -0.03 0.44 -1.29 0.00 0.00 177.43 177.13 2uva h ASP 908 N 0.86 0.00 -2.07 5.81 3.32 -0.94 -3.45 116.42 119.95 2uva h ASP 908 Ca 0.44 0.00 -0.52 0.00 0.02 0.00 0.00 57.03 56.98 2uva h ASP 908 Cb 0.51 0.00 -0.40 0.00 0.22 0.00 0.00 39.33 39.66 2uva h ASP 908 CO -0.21 0.31 -1.04 -0.90 -1.72 0.00 0.00 179.24 175.68 2uva n ASP 909 N -3.66 1.72 -3.98 6.45 5.75 -1.06 -5.02 116.55 116.76 2uva n ASP 909 Ca -0.00 -3.16 -0.09 0.00 -0.01 0.00 0.00 54.79 51.53 2uva n ASP 909 Cb 0.01 -0.61 -0.11 0.00 -1.03 0.00 0.00 41.12 39.38 2uva n ASP 909 CO 0.00 0.00 0.00 0.12 -0.11 0.00 0.00 177.20 177.21 2uva s PHE 910 N -2.58 0.25 0.31 2.11 5.36 -1.19 -1.99 117.98 120.24 2uva s PHE 910 Ca 0.42 -0.51 0.04 0.00 -0.96 0.00 0.00 56.93 55.92 2uva s PHE 910 Cb 0.31 -0.18 0.82 0.00 -0.34 0.00 0.00 43.02 43.63 2uva s PHE 910 CO -0.09 -0.18 1.60 1.96 -1.46 0.00 0.00 175.22 177.04 2uva h GLN 911 N 4.72 0.08 -5.82 10.12 4.20 -1.12 -3.38 115.11 123.91 2uva h GLN 911 Ca -0.32 -0.00 -0.67 0.00 0.06 0.00 0.00 58.65 57.72 2uva h GLN 911 Cb 1.21 -0.02 -0.15 0.00 0.30 0.00 0.00 27.48 28.83 2uva h GLN 911 CO 0.41 0.05 -0.60 0.15 -0.67 0.00 0.00 178.83 178.17 2uva s LYS 912 N -5.91 3.19 0.57 1.46 1.02 -1.26 -4.60 119.74 114.20 2uva s LYS 912 Ca -0.12 -0.38 0.05 0.00 0.02 0.00 0.00 55.97 55.54 2uva s LYS 912 Cb 0.28 -2.89 0.07 0.00 -0.52 0.00 0.00 37.83 34.77 2uva s LYS 912 CO 0.78 0.64 0.79 0.08 -0.92 0.00 0.00 175.35 176.71 2uva s VAL 913 N -0.68 2.44 -0.37 3.17 1.01 -1.26 -4.66 120.40 120.05 2uva s VAL 913 Ca 0.11 -0.84 -0.21 0.00 0.00 0.00 0.00 61.98 61.04 2uva s VAL 913 Cb -0.12 -2.60 0.01 0.00 0.00 0.00 0.00 36.38 33.66 2uva s VAL 913 CO 0.02 0.00 0.67 0.86 0.00 0.00 0.00 175.10 176.65 2uva s TRP 914 N -2.73 3.13 0.00 5.22 -0.11 -1.26 -1.01 118.94 122.19 2uva s TRP 914 Ca 0.60 0.35 0.00 0.00 1.22 0.00 0.00 56.10 58.28 2uva s TRP 914 Cb -0.07 -3.22 0.00 0.00 -1.50 0.00 0.00 33.47 28.68 2uva s TRP 914 CO 0.39 -0.67 0.49 0.34 -4.62 0.00 0.00 176.95 172.87 2uva n PHE 915 N 6.15 0.00 0.86 5.86 7.35 -0.90 -4.24 117.46 132.53 2uva n PHE 915 Ca -0.00 -0.24 0.10 0.00 -0.76 0.00 0.00 57.45 56.54 2uva n PHE 915 Cb 0.48 -0.26 0.03 0.00 0.35 0.00 0.00 39.48 40.09 2uva n PHE 915 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2uva n GLY 916 N 1.48 0.25 3.80 7.13 0.00 -1.26 -4.82 105.19 111.77 2uva n GLY 916 Ca 0.00 -0.57 -0.34 0.00 0.00 0.00 0.00 46.02 45.11 2uva n GLY 916 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2uva s ARG 917 N -2.01 4.20 0.45 1.61 0.52 -1.26 0.04 118.95 122.50 2uva s ARG 917 Ca 0.19 1.25 0.02 0.00 -0.52 0.00 0.00 55.73 56.67 2uva s ARG 917 Cb 0.16 -2.32 0.09 0.00 0.52 0.00 0.00 34.95 33.40 2uva s ARG 917 CO 0.40 -0.07 0.62 0.27 0.02 0.00 0.00 175.30 176.54 2uva n ASN 918 N -0.42 1.01 -0.34 0.23 0.23 0.51 -4.82 115.26 111.65 2uva n ASN 918 Ca 0.06 -1.81 0.08 0.00 -0.53 0.00 0.00 54.58 52.38 2uva n ASN 918 Cb 0.52 -0.39 0.26 0.00 -2.08 0.00 0.00 39.78 38.10 2uva n ASN 918 CO 0.00 0.00 0.00 -1.28 -0.93 0.00 0.00 177.26 175.05 2uva h SER 919 N -0.27 0.88 -0.05 0.53 0.87 -1.94 -1.84 113.55 111.72 2uva h SER 919 Ca -0.21 0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.40 2uva h SER 919 Cb 0.80 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 62.63 2uva h SER 919 CO 0.24 0.47 0.00 0.00 -0.53 0.00 0.00 176.83 177.01 2uva n ALA 920 N -2.37 2.51 -0.37 6.23 0.00 -1.26 -4.86 120.51 120.38 2uva n ALA 920 Ca 0.18 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.53 2uva n ALA 920 Cb 0.36 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.81 2uva n ALA 920 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2uva n GLY 921 N 0.50 1.73 3.86 0.00 0.00 -0.69 -5.03 105.19 105.56 2uva n GLY 921 Ca 0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.71 2uva n GLY 921 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2uva s GLU 922 N -0.19 3.95 -0.05 1.61 2.02 -1.26 -4.75 118.70 120.03 2uva s GLU 922 Ca 0.00 0.57 -0.30 0.00 0.02 0.00 0.00 54.97 55.26 2uva s GLU 922 Cb 0.00 -2.50 -0.03 0.00 0.10 0.00 0.00 34.13 31.71 2uva s GLU 922 CO 0.00 0.20 1.07 -2.14 0.02 0.00 0.00 175.26 174.42 2uva s PRO 923 N -2.92 4.43 0.41 0.39 0.02 -1.26 -0.36 135.00 135.71 2uva s PRO 923 Ca 0.52 1.52 0.04 0.00 0.02 0.00 0.00 61.00 63.10 2uva s PRO 923 Cb -0.11 -3.51 -0.02 0.00 0.02 0.00 0.00 34.50 30.89 2uva s PRO 923 CO 0.18 -0.29 0.16 0.08 -0.33 0.00 0.00 177.00 176.81 2uva s VAL 924 N 1.74 0.47 0.36 3.83 1.01 0.11 -4.91 120.40 123.00 2uva s VAL 924 Ca 0.52 -2.00 -0.25 0.00 0.00 0.00 0.00 61.98 60.25 2uva s VAL 924 Cb -0.22 -2.33 -0.10 0.00 0.00 0.00 0.00 36.38 33.74 2uva s VAL 924 CO 0.22 0.00 0.99 -1.81 0.00 0.00 0.00 175.10 174.51 2uva s ASP 925 N -3.59 7.09 0.43 3.32 1.11 -1.26 -4.44 116.67 119.33 2uva s ASP 925 Ca 0.25 1.93 0.20 0.00 0.18 0.00 0.00 52.55 55.11 2uva s ASP 925 Cb 0.02 -2.58 1.14 0.00 1.07 0.00 0.00 42.92 42.57 2uva s ASP 925 CO 0.16 -0.25 1.84 0.25 1.18 0.00 0.00 175.17 178.35 2uva h LEU 926 N 2.88 0.36 -0.59 1.23 5.85 -1.84 0.16 115.31 123.36 2uva h LEU 926 Ca -0.47 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.29 2uva h LEU 926 Cb 1.20 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.21 2uva h LEU 926 CO 0.64 0.12 0.00 -0.62 -0.34 0.00 0.00 178.44 178.24 2uva n GLU 927 N -4.50 0.22 -0.01 1.25 4.71 -1.26 -2.41 120.64 118.64 2uva n GLU 927 Ca 0.21 0.39 0.10 0.00 -0.01 0.00 0.00 57.16 57.85 2uva n GLU 927 Cb 0.78 -1.88 0.09 0.00 -1.01 0.00 0.00 31.44 29.43 2uva n GLU 927 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 2uva n ASP 928 N -2.28 2.75 -4.82 1.62 8.00 0.53 -4.52 116.55 117.83 2uva n ASP 928 Ca 0.03 -1.86 -0.33 0.00 0.71 0.00 0.00 54.79 53.34 2uva n ASP 928 Cb 0.27 -0.02 -0.03 0.00 -0.02 0.00 0.00 41.12 41.33 2uva n ASP 928 CO 0.00 0.00 0.00 -0.32 -0.39 0.00 0.00 177.20 176.49 2uva s MET 929 N -1.68 3.83 0.45 -1.24 1.75 -1.01 -4.94 119.30 116.45 2uva s MET 929 Ca 0.25 1.16 -0.04 0.00 -1.25 0.00 0.00 55.69 55.81 2uva s MET 929 Cb 0.17 -2.11 -0.03 0.00 2.84 0.00 0.00 34.83 35.70 2uva s MET 929 CO 0.26 -0.38 0.72 -0.08 -0.65 0.00 0.00 175.02 174.89 2uva s THR 930 N -2.31 4.93 0.18 10.11 -1.32 -1.26 -2.78 115.64 123.18 2uva s THR 930 Ca 0.63 0.01 -0.13 0.00 -1.21 0.00 0.00 61.69 60.99 2uva s THR 930 Cb -0.13 -3.85 0.09 0.00 -1.51 0.00 0.00 72.50 67.10 2uva s THR 930 CO 0.25 -0.76 1.74 1.88 -2.21 0.00 0.00 174.62 175.53 2uva h TYR 931 N 0.36 0.29 0.32 9.09 0.05 -1.52 -1.15 116.97 124.40 2uva h TYR 931 Ca -0.48 0.03 -0.00 0.00 0.05 0.00 0.00 58.73 58.32 2uva h TYR 931 Cb 1.21 -0.06 -0.03 0.00 1.01 0.00 0.00 36.73 38.87 2uva h TYR 931 CO 0.56 0.09 -0.44 0.00 -1.05 0.00 0.00 178.16 177.32 2uva h ALA 932 N 1.34 -1.04 -1.14 3.88 0.00 -0.84 -2.10 119.26 119.36 2uva h ALA 932 Ca 0.24 -0.14 0.32 0.00 0.00 0.00 0.00 54.91 55.33 2uva h ALA 932 Cb 0.26 0.72 -0.07 0.00 0.00 0.00 0.00 17.79 18.70 2uva h ALA 932 CO -0.25 -1.09 0.78 0.93 0.00 0.00 0.00 179.25 179.61 2uva h GLU 933 N -0.78 0.17 0.07 0.00 5.08 -1.67 0.27 114.58 117.72 2uva h GLU 933 Ca -0.04 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.31 2uva h GLU 933 Cb 0.71 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.92 2uva h GLU 933 CO -0.12 0.11 -0.04 0.28 -1.00 0.00 0.00 179.01 178.25 2uva h VAL 934 N 0.18 1.13 -0.81 3.13 2.07 -0.84 0.71 116.25 121.81 2uva h VAL 934 Ca 0.60 -1.48 0.14 0.00 0.82 0.00 0.00 66.70 66.78 2uva h VAL 934 Cb 1.97 1.98 -0.09 0.00 -1.52 0.00 0.00 31.29 33.63 2uva h VAL 934 CO -0.16 0.33 0.39 1.62 0.02 0.00 0.00 177.57 179.77 2uva h VAL 935 N -0.86 0.73 0.11 2.57 3.04 -0.57 0.35 116.25 121.63 2uva h VAL 935 Ca -0.01 -0.20 -0.01 0.00 -1.01 0.00 0.00 66.70 65.48 2uva h VAL 935 Cb 0.61 0.10 0.00 0.00 -2.01 0.00 0.00 31.29 29.99 2uva h VAL 935 CO 0.02 0.11 -0.06 0.45 -1.01 0.00 0.00 177.57 177.08 2uva h HIS 936 N 0.58 -0.14 0.00 3.17 -0.00 -0.99 -2.55 115.15 115.21 2uva h HIS 936 Ca 0.44 -0.00 -0.02 0.00 -0.00 0.00 0.00 60.37 60.78 2uva h HIS 936 Cb 0.61 0.05 -0.00 0.00 -0.00 0.00 0.00 27.41 28.07 2uva h HIS 936 CO -0.11 -0.02 -0.10 -0.09 -0.00 0.00 0.00 177.93 177.60 2uva h ARG 937 N -0.23 0.00 0.03 2.45 9.65 -0.03 0.36 114.38 126.60 2uva h ARG 937 Ca -0.02 0.00 -0.00 0.00 -1.10 0.00 0.00 59.98 58.86 2uva h ARG 937 Cb 0.18 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.76 2uva h ARG 937 CO 0.03 0.10 -0.01 0.52 2.80 0.00 0.00 179.97 183.41 2uva h MET 938 N 0.00 -0.03 -0.42 0.20 2.86 -0.73 -2.19 114.93 114.61 2uva h MET 938 Ca -0.00 0.00 0.05 0.00 -2.06 0.00 0.00 59.70 57.69 2uva h MET 938 Cb 0.20 0.01 -0.05 0.00 0.06 0.00 0.00 31.60 31.82 2uva h MET 938 CO 0.01 0.23 0.15 0.28 1.06 0.00 0.00 176.91 178.64 2uva h VAL 939 N -0.29 0.87 -0.57 -2.22 2.07 -0.97 -2.14 116.25 113.00 2uva h VAL 939 Ca -0.00 -0.11 0.10 0.00 0.82 0.00 0.00 66.70 67.51 2uva h VAL 939 Cb 0.28 0.53 -0.03 0.00 -1.52 0.00 0.00 31.29 30.54 2uva h VAL 939 CO 0.01 0.06 0.39 -0.08 0.02 0.00 0.00 177.57 177.96 2uva h GLU 940 N 0.31 0.35 -0.30 1.57 4.81 -0.76 -0.94 114.58 119.62 2uva h GLU 940 Ca 0.19 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.40 2uva h GLU 940 Cb 0.18 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.48 2uva h GLU 940 CO -0.20 0.23 0.00 1.28 -0.73 0.00 0.00 179.01 179.59 2uva n LEU 941 N -4.46 2.87 0.00 1.64 4.77 -0.84 -4.44 117.00 116.54 2uva n LEU 941 Ca 0.09 -1.62 0.00 0.00 -0.03 0.00 0.00 56.01 54.46 2uva n LEU 941 Cb 0.38 -0.19 0.00 0.00 -2.33 0.00 0.00 43.42 41.28 2uva n LEU 941 CO 0.34 0.66 0.00 0.23 -1.33 0.00 0.00 177.39 177.29 2uva n MET 942 N 0.86 1.31 -4.01 3.23 2.81 -0.86 -4.78 117.12 115.69 2uva n MET 942 Ca 0.13 -0.00 -0.31 0.00 -1.81 0.00 0.00 57.70 55.71 2uva n MET 942 Cb 0.45 -0.12 -0.16 0.00 -0.71 0.00 0.00 33.22 32.68 2uva n MET 942 CO 0.00 0.00 0.00 -0.47 1.51 0.00 0.00 175.97 177.01 2uva s TYR 943 N -0.19 2.51 -0.52 2.03 5.04 -0.38 -1.61 117.35 124.23 2uva s TYR 943 Ca 0.00 -1.66 -0.28 0.00 -2.44 0.00 0.00 57.07 52.69 2uva s TYR 943 Cb 0.00 -1.68 0.03 0.00 0.35 0.00 0.00 41.96 40.66 2uva s TYR 943 CO 0.00 -0.76 1.14 0.14 -1.34 0.00 0.00 175.55 174.73 2uva s VAL 944 N 1.36 4.15 0.14 3.14 -7.23 -0.87 -4.68 120.40 116.41 2uva s VAL 944 Ca -0.01 1.01 -0.28 0.00 -1.81 0.00 0.00 61.98 60.89 2uva s VAL 944 Cb -0.16 -4.64 -0.03 0.00 0.56 0.00 0.00 36.38 32.10 2uva s VAL 944 CO -0.08 -1.15 1.58 0.11 -0.31 0.00 0.00 175.10 175.25 2uva h LYS 945 N 9.36 -0.41 0.00 4.82 1.57 -1.92 -1.55 116.57 128.44 2uva h LYS 945 Ca -0.24 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.57 2uva h LYS 945 Cb 1.06 0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.46 2uva h LYS 945 CO 1.15 -0.27 0.00 -2.39 -0.57 0.00 0.00 179.45 177.36 2uva n HIS 946 N -5.43 0.00 -0.02 -1.35 1.44 -1.26 -2.12 115.22 106.48 2uva n HIS 946 Ca -0.03 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.68 2uva n HIS 946 Cb 0.36 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.47 2uva n HIS 946 CO 0.00 0.00 0.00 0.39 -2.81 0.00 0.00 176.34 173.92 2uva n GLU 947 N -0.79 4.95 -3.74 -1.40 1.02 -0.90 -5.04 120.64 114.74 2uva n GLU 947 Ca 0.10 -0.03 -0.23 0.00 -0.02 0.00 0.00 57.16 56.97 2uva n GLU 947 Cb 0.05 -0.43 0.03 0.00 -0.02 0.00 0.00 31.44 31.07 2uva n GLU 947 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2uva n LYS 948 N -0.72 -5.20 -3.87 3.49 5.02 -0.63 -5.00 118.16 111.25 2uva n LYS 948 Ca 0.00 0.63 -0.11 0.00 -2.02 0.00 0.00 58.31 56.80 2uva n LYS 948 Cb 0.00 -5.29 -0.10 0.00 -0.02 0.00 0.00 35.03 29.62 2uva n LYS 948 CO 0.00 0.00 0.00 -0.98 -0.52 0.00 0.00 177.40 175.90 2uva s ARG 949 N -6.13 0.43 0.27 1.97 1.70 -1.24 -5.00 118.95 110.96 2uva s ARG 949 Ca 0.18 -0.33 -0.19 0.00 -0.47 0.00 0.00 55.73 54.91 2uva s ARG 949 Cb -0.09 0.18 -0.09 0.00 -0.57 0.00 0.00 34.95 34.38 2uva s ARG 949 CO 0.81 -0.10 0.77 -1.58 -1.08 0.00 0.00 175.30 174.12 2uva s TRP 950 N -1.19 3.57 -0.14 5.89 0.52 -1.26 -2.04 118.94 124.28 2uva s TRP 950 Ca -0.13 1.41 0.24 0.00 0.02 0.00 0.00 56.10 57.64 2uva s TRP 950 Cb -0.07 -2.65 1.28 0.00 -1.15 0.00 0.00 33.47 30.88 2uva s TRP 950 CO 0.01 0.24 1.74 0.82 0.02 0.00 0.00 176.95 179.78 2uva h ILE 951 N 2.50 0.00 0.00 2.03 2.04 -1.71 -3.43 117.51 118.94 2uva h ILE 951 Ca -0.48 -0.04 0.00 0.00 1.00 0.00 0.00 64.86 65.35 2uva h ILE 951 Cb 1.19 0.60 0.00 0.00 -0.74 0.00 0.00 36.82 37.87 2uva h ILE 951 CO 0.65 0.00 0.00 -0.67 0.00 0.00 0.00 178.15 178.13 2uva n ASP 952 N -2.35 0.00 -0.35 1.72 -0.08 -1.26 -5.02 116.55 109.21 2uva n ASP 952 Ca -0.01 0.00 0.24 0.00 -1.51 0.00 0.00 54.79 53.51 2uva n ASP 952 Cb 0.06 0.00 0.50 0.00 2.34 0.00 0.00 41.12 44.02 2uva n ASP 952 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 2uva h PRO 953 N 0.00 0.37 -0.50 -0.67 0.11 -1.99 0.23 132.00 129.55 2uva h PRO 953 Ca 0.00 -0.02 0.04 0.00 0.11 0.00 0.00 66.00 66.13 2uva h PRO 953 Cb 0.00 -0.08 -0.04 0.00 0.11 0.00 0.00 31.00 30.98 2uva h PRO 953 CO 0.00 0.25 0.25 0.66 -0.21 0.00 0.00 178.00 178.95 2uva h SER 954 N 0.38 0.37 0.56 -2.05 4.64 -1.96 -1.19 113.55 114.31 2uva h SER 954 Ca 0.66 0.03 -0.03 0.00 -0.47 0.00 0.00 61.79 61.98 2uva h SER 954 Cb 1.62 -0.04 -0.00 0.00 -0.31 0.00 0.00 62.40 63.66 2uva h SER 954 CO -0.40 0.26 -0.13 -0.07 -0.87 0.00 0.00 176.83 175.61 2uva h LEU 955 N 0.50 0.00 -0.15 5.97 3.38 -1.30 0.69 115.31 124.41 2uva h LEU 955 Ca 0.22 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.11 2uva h LEU 955 Cb 0.12 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.87 2uva h LEU 955 CO -0.15 0.13 -0.22 0.50 0.09 0.00 0.00 178.44 178.79 2uva h LYS 956 N 0.00 0.41 -0.57 1.13 3.64 -1.13 -2.49 116.57 117.56 2uva h LYS 956 Ca -0.00 -0.24 0.04 0.00 -1.27 0.00 0.00 60.65 59.18 2uva h LYS 956 Cb 0.45 0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 32.25 2uva h LYS 956 CO 0.02 0.83 0.32 -0.22 -2.27 0.00 0.00 179.45 178.12 2uva h LYS 957 N 0.03 0.60 0.00 1.90 3.64 -0.05 -0.35 116.57 122.34 2uva h LYS 957 Ca 0.02 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 2uva h LYS 957 Cb 0.79 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.47 2uva h LYS 957 CO 0.05 0.40 0.00 -0.11 -2.27 0.00 0.00 179.45 177.52 2uva n LEU 958 N -4.81 0.00 -0.35 5.20 7.94 0.11 0.11 117.00 125.19 2uva n LEU 958 Ca 0.05 0.87 0.27 0.00 -1.11 0.00 0.00 56.01 56.09 2uva n LEU 958 Cb 0.12 -0.37 0.52 0.00 0.53 0.00 0.00 43.42 44.22 2uva n LEU 958 CO 0.30 -0.37 1.15 0.71 -1.11 0.00 0.00 177.39 178.08 2uva h THR 959 N 0.00 0.28 -0.32 1.96 1.35 -1.34 0.14 112.91 114.98 2uva h THR 959 Ca 0.00 -0.09 -0.04 0.00 -0.55 0.00 0.00 66.41 65.72 2uva h THR 959 Cb 0.00 -0.02 -0.01 0.00 -1.73 0.00 0.00 68.15 66.39 2uva h THR 959 CO 0.00 0.05 0.03 1.23 -0.25 0.00 0.00 175.52 176.58 2uva h GLY 960 N 0.27 0.60 0.97 5.82 0.00 -0.19 -2.31 103.07 108.23 2uva h GLY 960 Ca 0.74 -0.42 -0.02 0.00 0.00 0.00 0.00 47.33 47.63 2uva h GLY 960 CO -0.53 0.38 -0.20 -0.55 0.00 0.00 0.00 176.54 175.64 2uva h ASP 961 N 0.37 -0.46 -0.93 0.19 5.19 0.25 -1.66 116.42 119.36 2uva h ASP 961 Ca 0.10 -0.01 0.14 0.00 -0.62 0.00 0.00 57.03 56.64 2uva h ASP 961 Cb 0.39 0.12 -0.08 0.00 0.18 0.00 0.00 39.33 39.94 2uva h ASP 961 CO 0.01 -0.30 0.59 0.15 -3.12 0.00 0.00 179.24 176.57 2uva h PHE 962 N -0.58 0.93 0.30 4.55 3.04 -1.40 0.12 116.94 123.89 2uva h PHE 962 Ca -0.06 0.03 0.00 0.00 3.98 0.00 0.00 57.97 61.92 2uva h PHE 962 Cb 0.44 -0.29 -0.03 0.00 2.56 0.00 0.00 35.95 38.63 2uva h PHE 962 CO -0.04 0.34 -0.45 0.82 -2.02 0.00 0.00 178.31 176.96 2uva h ILE 963 N 0.78 0.11 -0.90 1.41 2.04 -1.02 0.58 117.51 120.51 2uva h ILE 963 Ca 0.47 0.00 0.24 0.00 1.00 0.00 0.00 64.86 66.57 2uva h ILE 963 Cb 0.68 0.11 -0.14 0.00 -0.74 0.00 0.00 36.82 36.73 2uva h ILE 963 CO -0.24 0.00 0.34 -0.09 0.00 0.00 0.00 178.15 178.17 2uva h ARG 964 N -0.80 0.29 0.26 2.37 9.65 0.03 0.21 114.38 126.39 2uva h ARG 964 Ca -0.02 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.84 2uva h ARG 964 Cb 0.75 -0.07 -0.02 0.00 -1.39 0.00 0.00 29.97 29.25 2uva h ARG 964 CO -0.15 0.19 -0.23 -0.09 2.80 0.00 0.00 179.97 182.49 2uva h ARG 965 N 0.30 -0.50 -0.34 0.20 9.65 0.40 -1.12 114.38 122.97 2uva h ARG 965 Ca 0.58 0.03 0.08 0.00 -1.10 0.00 0.00 59.98 59.57 2uva h ARG 965 Cb 1.16 0.11 -0.02 0.00 -1.39 0.00 0.00 29.97 29.84 2uva h ARG 965 CO -0.60 -0.33 0.24 0.28 2.80 0.00 0.00 179.97 182.36 2uva h VAL 966 N -0.51 0.89 0.31 0.20 2.07 0.15 -0.03 116.25 119.32 2uva h VAL 966 Ca -0.01 -0.04 -0.01 0.00 0.82 0.00 0.00 66.70 67.46 2uva h VAL 966 Cb 0.47 0.76 -0.00 0.00 -1.52 0.00 0.00 31.29 31.00 2uva h VAL 966 CO -0.04 0.02 -0.21 -0.33 0.02 0.00 0.00 177.57 177.04 2uva h GLU 967 N 0.12 -0.47 -0.91 1.57 5.08 -0.27 -3.00 114.58 116.70 2uva h GLU 967 Ca 0.16 0.03 0.19 0.00 -1.00 0.00 0.00 59.36 58.74 2uva h GLU 967 Cb 0.48 0.11 -0.11 0.00 0.50 0.00 0.00 28.75 29.73 2uva h GLU 967 CO -0.02 -0.31 0.47 0.93 -1.00 0.00 0.00 179.01 179.08 2uva h GLU 968 N -0.48 0.56 -0.73 2.33 5.08 0.15 0.29 114.58 121.78 2uva h GLU 968 Ca -0.04 -0.03 0.10 0.00 -1.00 0.00 0.00 59.36 58.38 2uva h GLU 968 Cb 0.39 -0.13 -0.05 0.00 0.50 0.00 0.00 28.75 29.47 2uva h GLU 968 CO 0.03 0.37 0.48 -0.09 -1.00 0.00 0.00 179.01 178.81 2uva h ARG 969 N 0.58 0.61 -0.10 2.33 9.65 -1.10 -2.89 114.38 123.47 2uva h ARG 969 Ca 0.53 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 59.38 2uva h ARG 969 Cb 0.88 -0.14 0.00 0.00 -1.39 0.00 0.00 29.97 29.32 2uva h ARG 969 CO -0.43 0.41 0.00 1.19 2.80 0.00 0.00 179.97 183.94 2uva n PHE 970 N -4.49 0.10 -3.81 2.20 3.01 0.92 -4.89 117.46 110.49 2uva n PHE 970 Ca 0.12 -0.07 -0.33 0.00 1.01 0.00 0.00 57.45 58.18 2uva n PHE 970 Cb 0.34 -0.00 -0.05 0.00 -0.01 0.00 0.00 39.48 39.76 2uva n PHE 970 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 2uva s THR 971 N -1.36 5.33 -0.00 4.37 -4.23 -0.54 -5.01 115.64 114.19 2uva s THR 971 Ca 0.22 -0.02 0.00 0.00 -1.18 0.00 0.00 61.69 60.72 2uva s THR 971 Cb 0.15 -3.58 0.01 0.00 1.34 0.00 0.00 72.50 70.42 2uva s THR 971 CO 0.22 0.28 0.65 -1.54 -0.54 0.00 0.00 174.62 173.68 2uva n SER 972 N 0.81 0.33 -4.13 3.99 3.41 -1.26 -4.91 113.62 111.86 2uva n SER 972 Ca -0.09 -1.32 -0.21 0.00 -0.26 0.00 0.00 58.87 57.00 2uva n SER 972 Cb 0.52 -0.04 -0.14 0.00 -0.26 0.00 0.00 64.21 64.30 2uva n SER 972 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2uva s VAL 973 N -0.21 1.11 0.66 -3.33 0.11 -1.26 -5.15 120.40 112.34 2uva s VAL 973 Ca 0.01 -0.88 -0.12 0.00 -2.93 0.00 0.00 61.98 58.06 2uva s VAL 973 Cb 0.01 -0.98 -0.01 0.00 -1.53 0.00 0.00 36.38 33.87 2uva s VAL 973 CO 0.00 0.09 1.05 -1.61 -3.33 0.00 0.00 175.10 171.31 2uva s GLU 974 N -0.90 3.14 0.00 1.54 2.02 -1.26 -4.25 118.70 118.99 2uva s GLU 974 Ca 0.03 0.95 0.00 0.00 0.02 0.00 0.00 54.97 55.97 2uva s GLU 974 Cb -0.07 -2.02 0.00 0.00 0.10 0.00 0.00 34.13 32.14 2uva s GLU 974 CO 0.01 -0.94 0.00 0.41 0.02 0.00 0.00 175.26 174.76 2uva n GLY 975 N -1.98 3.12 3.67 -1.39 0.00 -1.26 -5.04 105.19 102.32 2uva n GLY 975 Ca 0.07 -0.86 -0.49 0.00 0.00 0.00 0.00 46.02 44.74 2uva n GLY 975 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2uva n GLN 976 N 0.00 1.91 -2.11 1.61 6.02 -1.26 -4.96 117.38 118.58 2uva n GLN 976 Ca 0.00 0.70 -0.27 0.00 -0.01 0.00 0.00 57.00 57.41 2uva n GLN 976 Cb 0.00 -2.47 0.10 0.00 1.02 0.00 0.00 30.24 28.89 2uva n GLN 976 CO 0.00 0.00 0.00 -2.14 -1.01 0.00 0.00 177.06 173.91 2uva s PRO 977 N 2.61 1.80 0.46 -1.09 0.02 -1.26 -5.05 135.00 132.49 2uva s PRO 977 Ca 0.88 -0.27 -0.21 0.00 0.02 0.00 0.00 61.00 61.42 2uva s PRO 977 Cb -0.77 -2.07 -0.09 0.00 0.02 0.00 0.00 34.50 31.58 2uva s PRO 977 CO 0.49 -1.57 1.00 0.45 -0.33 0.00 0.00 177.00 177.05 2uva s SER 978 N -4.62 6.60 0.00 2.53 0.15 -1.26 -4.94 113.70 112.15 2uva s SER 978 Ca 0.64 1.85 0.27 0.00 0.70 0.00 0.00 55.95 59.41 2uva s SER 978 Cb -0.09 -2.55 0.94 0.00 -1.71 0.00 0.00 66.02 62.61 2uva s SER 978 CO 0.47 -0.60 1.69 0.18 1.20 0.00 0.00 173.24 176.18 2uva n LEU 979 N -0.78 0.52 -3.89 3.45 4.32 -1.26 -4.18 117.00 115.18 2uva n LEU 979 Ca 0.08 0.02 -0.28 0.00 -0.02 0.00 0.00 56.01 55.81 2uva n LEU 979 Cb 0.53 -0.23 -0.12 0.00 -1.62 0.00 0.00 43.42 41.97 2uva n LEU 979 CO 0.39 0.11 -0.06 -0.22 -1.22 0.00 0.00 177.39 176.38 2uva s LEU 980 N -2.70 4.65 0.16 2.23 2.96 -1.26 -4.92 118.68 119.81 2uva s LEU 980 Ca 0.21 -3.70 0.17 0.00 -0.22 0.00 0.00 54.13 50.59 2uva s LEU 980 Cb 0.19 -1.60 -0.04 0.00 0.50 0.00 0.00 46.19 45.24 2uva s LEU 980 CO 0.55 -0.11 1.09 1.56 -1.32 0.00 0.00 176.35 178.13 2uva h GLN 981 N 5.58 0.00 -3.70 1.98 1.08 -2.00 -3.45 115.11 114.60 2uva h GLN 981 Ca 0.11 0.00 -0.29 0.00 -1.45 0.00 0.00 58.65 57.03 2uva h GLN 981 Cb 0.78 0.00 -0.32 0.00 -0.05 0.00 0.00 27.48 27.89 2uva h GLN 981 CO 0.70 0.33 -0.73 -0.80 -0.95 0.00 0.00 178.83 177.38 2uva s ASN 982 N -6.00 0.16 0.00 1.46 0.01 -1.26 -5.01 114.94 104.30 2uva s ASN 982 Ca 0.00 0.00 0.12 0.00 -0.71 0.00 0.00 52.86 52.27 2uva s ASN 982 Cb 0.08 -0.08 0.63 0.00 0.41 0.00 0.00 41.25 42.30 2uva s ASN 982 CO 0.78 -0.06 1.20 -1.22 -1.51 0.00 0.00 177.10 176.29 2uva n TYR 983 N 3.71 0.00 0.21 2.20 4.02 -1.26 -1.93 117.16 124.11 2uva n TYR 983 Ca -0.21 0.00 0.18 0.00 -0.01 0.00 0.00 57.90 57.85 2uva n TYR 983 Cb 0.54 -0.15 0.85 0.00 -0.02 0.00 0.00 39.34 40.55 2uva n TYR 983 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 176.86 176.62 2uva h SER 984 N 0.00 0.00 0.38 7.72 0.02 -1.99 -2.06 113.55 117.62 2uva h SER 984 Ca 0.00 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 60.84 2uva h SER 984 Cb 0.06 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.58 2uva h SER 984 CO 0.00 0.00 -0.49 0.44 -1.14 0.00 0.00 176.83 175.64 2uva h ASP 985 N 0.00 0.14 0.00 3.07 3.45 -1.78 -2.81 116.42 118.49 2uva h ASP 985 Ca 0.08 -0.06 0.00 0.00 0.43 0.00 0.00 57.03 57.48 2uva h ASP 985 Cb 0.54 -0.04 0.00 0.00 -0.56 0.00 0.00 39.33 39.27 2uva h ASP 985 CO -0.00 0.61 0.00 0.18 -1.57 0.00 0.00 179.24 178.46 2uva n LEU 986 N -3.96 0.00 0.44 1.55 7.99 -0.77 -3.58 117.00 118.67 2uva n LEU 986 Ca -0.02 0.00 -0.19 0.00 -0.01 0.00 0.00 56.01 55.80 2uva n LEU 986 Cb 0.52 0.00 -0.09 0.00 -0.11 0.00 0.00 43.42 43.74 2uva n LEU 986 CO 0.42 0.00 0.55 0.44 -1.51 0.00 0.00 177.39 177.28 2uva h ASP 987 N 0.00 -0.94 -3.70 -1.43 5.19 -1.64 -3.23 116.42 110.67 2uva h ASP 987 Ca 0.00 0.02 -0.78 0.00 -0.62 0.00 0.00 57.03 55.65 2uva h ASP 987 Cb 0.00 0.24 -0.26 0.00 0.18 0.00 0.00 39.33 39.49 2uva h ASP 987 CO 0.00 -0.64 0.03 -1.61 -3.12 0.00 0.00 179.24 173.90 2uva s GLU 988 N -5.72 3.46 -0.02 3.56 0.41 -1.23 -4.84 118.70 114.31 2uva s GLU 988 Ca -0.18 -2.33 -0.00 0.00 -0.41 0.00 0.00 54.97 52.05 2uva s GLU 988 Cb 0.02 -4.38 -0.00 0.00 -1.78 0.00 0.00 34.13 27.99 2uva s GLU 988 CO 0.57 -1.29 -0.01 -1.00 -0.49 0.00 0.00 175.26 173.04 2uva h PRO 989 N 7.96 0.00 -1.33 0.39 0.14 -1.71 -3.31 132.00 134.14 2uva h PRO 989 Ca 0.03 0.00 0.43 0.00 0.14 0.00 0.00 66.00 66.60 2uva h PRO 989 Cb 1.05 0.00 -0.12 0.00 0.14 0.00 0.00 31.00 32.07 2uva h PRO 989 CO 0.80 0.00 0.87 -0.92 0.14 0.00 0.00 178.00 178.89 2uva h TYR 990 N -0.20 0.49 0.41 1.56 3.20 -1.92 0.46 116.97 120.98 2uva h TYR 990 Ca 0.00 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.87 2uva h TYR 990 Cb 0.03 -0.12 0.00 0.00 1.54 0.00 0.00 36.73 38.18 2uva h TYR 990 CO -0.01 -0.18 -0.20 -1.35 -1.64 0.00 0.00 178.16 174.78 2uva h PRO 991 N 0.10 -0.53 0.00 1.82 0.11 -1.97 -3.35 132.00 128.18 2uva h PRO 991 Ca 0.81 0.04 -0.15 0.00 0.11 0.00 0.00 66.00 66.81 2uva h PRO 991 Cb 2.56 0.12 -0.02 0.00 0.11 0.00 0.00 31.00 33.77 2uva h PRO 991 CO -0.38 -0.28 -1.07 0.00 -0.21 0.00 0.00 178.00 176.06 2uva h ALA 992 N -0.18 0.64 -0.46 -0.75 0.00 -0.31 -3.35 119.26 114.85 2uva h ALA 992 Ca -0.06 -0.71 0.03 0.00 0.00 0.00 0.00 54.91 54.18 2uva h ALA 992 Cb 0.50 0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.39 2uva h ALA 992 CO 0.09 0.82 0.26 0.28 0.00 0.00 0.00 179.25 180.70 2uva h VAL 993 N 0.00 1.01 -0.12 0.00 2.07 -0.91 -1.86 116.25 116.43 2uva h VAL 993 Ca -0.10 -0.17 0.03 0.00 0.82 0.00 0.00 66.70 67.27 2uva h VAL 993 Cb 1.52 0.45 -0.01 0.00 -1.52 0.00 0.00 31.29 31.74 2uva h VAL 993 CO 0.06 0.09 0.09 0.44 0.02 0.00 0.00 177.57 178.27 2uva h ASP 994 N 0.51 0.03 -0.32 0.57 3.45 -1.69 -1.09 116.42 117.88 2uva h ASP 994 Ca 0.19 -0.00 -0.09 0.00 0.43 0.00 0.00 57.03 57.56 2uva h ASP 994 Cb 0.06 -0.01 -0.01 0.00 -0.56 0.00 0.00 39.33 38.81 2uva h ASP 994 CO -0.11 0.02 -0.15 -0.09 -1.57 0.00 0.00 179.24 177.34 2uva h ARG 995 N 0.04 0.67 0.12 3.56 2.43 -1.50 -2.06 114.38 117.63 2uva h ARG 995 Ca 0.06 -0.29 -0.01 0.00 -0.81 0.00 0.00 59.98 58.93 2uva h ARG 995 Cb 0.17 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.71 2uva h ARG 995 CO -0.00 0.88 -0.06 0.82 -1.51 0.00 0.00 179.97 180.10 2uva h ILE 996 N 0.43 1.05 0.00 1.20 2.04 -1.05 -2.56 117.51 118.63 2uva h ILE 996 Ca 0.07 -0.78 0.00 0.00 1.00 0.00 0.00 64.86 65.15 2uva h ILE 996 Cb 0.68 1.54 0.00 0.00 -0.74 0.00 0.00 36.82 38.29 2uva h ILE 996 CO 0.05 0.18 0.25 -0.07 0.00 0.00 0.00 178.15 178.56 2uva h LEU 997 N -0.54 0.00 0.14 1.44 3.38 -1.29 -1.09 115.31 117.36 2uva h LEU 997 Ca -0.02 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.66 2uva h LEU 997 Cb 0.43 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.20 2uva h LEU 997 CO 0.03 0.00 -1.30 0.00 0.09 0.00 0.00 178.44 177.26 2uva h ALA 998 N 1.45 0.01 0.00 1.53 0.00 -0.94 -3.25 119.26 118.06 2uva h ALA 998 Ca 0.00 -0.83 0.00 0.00 0.00 0.00 0.00 54.91 54.08 2uva h ALA 998 Cb 0.49 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.37 2uva h ALA 998 CO 0.00 0.80 0.00 0.00 0.00 0.00 0.00 179.25 180.05 2uva n ALA 999 N -2.63 2.36 -3.55 0.00 0.00 -0.41 -3.77 120.51 112.50 2uva n ALA 999 Ca -0.12 -0.14 -0.28 0.00 0.00 0.00 0.00 53.44 52.90 2uva n ALA 999 Cb 1.03 -1.37 -0.11 0.00 0.00 0.00 0.00 19.45 19.00 2uva n ALA 999 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 2uva s TYR 1000N -2.00 1.80 0.08 0.00 1.51 -1.23 -5.03 117.35 112.49 2uva s TYR 1000Ca 0.34 -2.57 -0.22 0.00 -1.01 0.00 0.00 57.07 53.60 2uva s TYR 1000Cb 0.16 -1.46 -0.08 0.00 -0.11 0.00 0.00 41.96 40.46 2uva s TYR 1000CO 0.26 -0.75 1.36 -1.00 -1.11 0.00 0.00 175.55 174.32 2uva h PRO 1001N 5.71 -0.36 -0.08 -1.71 0.13 -1.76 -1.94 132.00 131.99 2uva h PRO 1001Ca 0.21 0.02 0.02 0.00 -0.87 0.00 0.00 66.00 65.39 2uva h PRO 1001Cb 0.87 0.08 -0.00 0.00 0.13 0.00 0.00 31.00 32.08 2uva h PRO 1001CO 0.47 -0.24 0.30 0.93 -0.23 0.00 0.00 178.00 179.22 2uva h GLU 1002N -0.37 0.00 0.00 0.86 5.08 -1.94 -1.86 114.58 116.35 2uva h GLU 1002Ca 0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 2uva h GLU 1002Cb 0.44 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.69 2uva h GLU 1002CO -0.30 0.00 0.04 0.00 -1.00 0.00 0.00 179.01 177.75 2uva n ALA 1003N -2.03 0.93 0.40 3.43 0.00 -0.73 0.12 120.51 122.64 2uva n ALA 1003Ca -0.00 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.49 2uva n ALA 1003Cb 0.37 -0.92 -0.06 0.00 0.00 0.00 0.00 19.45 18.84 2uva n ALA 1003CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2uva n SER 1004N -1.44 0.84 -0.00 0.00 7.64 -0.70 -0.12 113.62 119.84 2uva n SER 1004Ca 0.00 -0.62 -0.22 0.00 1.01 0.00 0.00 58.87 59.05 2uva n SER 1004Cb 0.04 1.08 -0.14 0.00 -1.01 0.00 0.00 64.21 64.19 2uva n SER 1004CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 2uva h THR 1005N 0.00 0.91 -3.15 0.44 2.02 0.78 -3.47 112.91 110.44 2uva h THR 1005Ca 0.00 -2.36 -0.65 0.00 0.77 0.00 0.00 66.41 64.17 2uva h THR 1005Cb 0.28 2.60 -0.18 0.00 -1.74 0.00 0.00 68.15 69.11 2uva h THR 1005CO 0.00 0.71 -0.82 0.00 0.37 0.00 0.00 175.52 175.78 2uva s GLN 1006N -2.49 1.51 1.01 6.66 -2.07 -0.82 -5.06 119.66 118.41 2uva s GLN 1006Ca -0.21 -1.53 -0.17 0.00 -1.82 0.00 0.00 55.36 51.62 2uva s GLN 1006Cb 0.05 -1.82 0.22 0.00 -1.09 0.00 0.00 33.01 30.37 2uva s GLN 1006CO 0.75 0.39 1.30 -0.51 -1.32 0.00 0.00 175.29 175.90 2uva s LEU 1007N -2.71 2.41 0.14 2.60 1.02 -1.26 -3.26 118.68 117.62 2uva s LEU 1007Ca 0.21 0.28 -0.31 0.00 0.02 0.00 0.00 54.13 54.33 2uva s LEU 1007Cb -0.08 -2.24 -0.09 0.00 0.02 0.00 0.00 46.19 43.81 2uva s LEU 1007CO 0.10 -3.01 1.45 -0.63 0.02 0.00 0.00 176.35 174.28 2uva s ILE 1008N -3.78 3.04 0.25 -0.59 1.01 -1.12 -4.66 121.20 115.35 2uva s ILE 1008Ca 0.74 0.75 -0.31 0.00 0.00 0.00 0.00 60.65 61.83 2uva s ILE 1008Cb -0.04 -3.48 -0.12 0.00 0.01 0.00 0.00 42.46 38.82 2uva s ILE 1008CO 0.54 0.06 1.56 -3.20 0.00 0.00 0.00 174.94 173.90 2uva n ASN 1009N 3.87 3.48 -0.22 3.58 4.05 -1.26 -4.82 115.26 123.94 2uva n ASN 1009Ca 0.12 1.12 0.24 0.00 0.45 0.00 0.00 54.58 56.51 2uva n ASN 1009Cb 0.41 -1.52 0.60 0.00 1.23 0.00 0.00 39.78 40.50 2uva n ASN 1009CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2uva h ALA 1010N 5.11 2.49 -0.35 5.20 0.00 -1.96 0.40 119.26 130.14 2uva h ALA 1010Ca -0.45 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.45 2uva h ALA 1010Cb 1.24 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.03 2uva h ALA 1010CO 0.82 -0.77 0.19 1.96 0.00 0.00 0.00 179.25 181.45 2uva h GLN 1011N 0.23 0.50 -0.02 0.00 4.20 -2.01 -2.93 115.11 115.07 2uva h GLN 1011Ca 0.46 -0.06 -0.07 0.00 0.06 0.00 0.00 58.65 59.04 2uva h GLN 1011Cb 1.44 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 29.11 2uva h GLN 1011CO -0.12 0.42 -0.34 -0.44 -0.67 0.00 0.00 178.83 177.69 2uva h ASP 1012N 0.44 0.04 -0.11 1.46 3.32 -0.58 -1.48 116.42 119.52 2uva h ASP 1012Ca 0.12 -0.01 0.01 0.00 0.02 0.00 0.00 57.03 57.17 2uva h ASP 1012Cb 0.07 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.60 2uva h ASP 1012CO -0.02 0.38 0.03 0.58 -1.72 0.00 0.00 179.24 178.50 2uva h VAL 1013N 0.04 0.97 -0.96 -1.35 2.07 -1.20 0.35 116.25 116.17 2uva h VAL 1013Ca 0.00 -0.03 0.04 0.00 0.82 0.00 0.00 66.70 67.54 2uva h VAL 1013Cb 0.62 0.87 -0.06 0.00 -1.52 0.00 0.00 31.29 31.20 2uva h VAL 1013CO 0.05 0.02 0.63 1.56 0.02 0.00 0.00 177.57 179.84 2uva h GLN 1014N 0.09 1.15 0.30 1.57 4.20 -1.21 -1.26 115.11 119.95 2uva h GLN 1014Ca 0.05 -0.07 -0.01 0.00 0.06 0.00 0.00 58.65 58.67 2uva h GLN 1014Cb 0.03 -0.26 0.00 0.00 0.30 0.00 0.00 27.48 27.55 2uva h GLN 1014CO -0.06 0.76 -0.14 1.25 -0.67 0.00 0.00 178.83 179.97 2uva h HIS 1015N 1.19 -0.37 -0.70 2.96 2.76 -0.78 -1.54 115.15 118.66 2uva h HIS 1015Ca 0.39 -0.01 0.13 0.00 -2.20 0.00 0.00 60.37 58.68 2uva h HIS 1015Cb 0.05 0.12 -0.13 0.00 1.55 0.00 0.00 27.41 29.00 2uva h HIS 1015CO -0.00 -0.09 -0.30 0.35 -1.30 0.00 0.00 177.93 176.59 2uva h PHE 1016N -0.63 -0.79 0.00 5.26 3.57 -0.09 -0.48 116.94 123.79 2uva h PHE 1016Ca -0.04 0.08 -0.03 0.00 3.53 0.00 0.00 57.97 61.51 2uva h PHE 1016Cb 0.45 0.45 -0.00 0.00 2.79 0.00 0.00 35.95 39.64 2uva h PHE 1016CO 0.00 -0.37 -0.13 -0.07 -2.23 0.00 0.00 178.31 175.51 2uva h LEU 1017N -0.09 0.00 0.00 0.59 3.38 -1.01 -1.40 115.31 116.78 2uva h LEU 1017Ca 0.29 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.21 2uva h LEU 1017Cb 0.56 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 2uva h LEU 1017CO -0.76 0.13 -0.31 -0.07 0.09 0.00 0.00 178.44 177.52 2uva h LEU 1018N 0.00 0.00 -0.58 1.67 3.38 -0.09 -3.18 115.31 116.51 2uva h LEU 1018Ca -0.00 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.81 2uva h LEU 1018Cb 0.24 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 2uva h LEU 1018CO 0.02 0.26 -0.68 -0.07 0.09 0.00 0.00 178.44 178.06 2uva h LEU 1019N 0.00 0.20 0.00 1.67 3.38 -0.14 -2.73 115.31 117.69 2uva h LEU 1019Ca -0.01 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.84 2uva h LEU 1019Cb 1.20 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.90 2uva h LEU 1019CO 0.03 0.82 0.00 0.00 0.09 0.00 0.00 178.44 179.38 2uva n GLN 1021N -0.99 5.77 -1.60 0.00 6.02 -1.05 -4.33 117.38 121.20 2uva n GLN 1021Ca 0.19 -0.04 -0.39 0.00 -0.01 0.00 0.00 57.00 56.76 2uva n GLN 1021Cb 0.09 -0.64 0.04 0.00 1.02 0.00 0.00 30.24 30.75 2uva n GLN 1021CO 0.00 0.00 0.00 2.89 -1.01 0.00 0.00 177.06 178.94 2uva n ARG 1022N -0.99 0.95 -2.37 -1.09 1.85 -1.07 -4.91 116.66 109.04 2uva n ARG 1022Ca 0.01 0.36 -0.42 0.00 -1.00 0.00 0.00 57.85 56.80 2uva n ARG 1022Cb 0.04 -2.08 -0.03 0.00 -1.05 0.00 0.00 32.46 29.34 2uva n ARG 1022CO 0.00 0.00 0.00 1.03 -0.01 0.00 0.00 177.63 178.65 2uva s ARG 1023N -2.51 4.43 0.00 2.89 0.52 -1.26 -3.68 118.95 119.33 2uva s ARG 1023Ca 0.72 1.84 0.00 0.00 -0.52 0.00 0.00 55.73 57.77 2uva s ARG 1023Cb -0.45 -3.31 0.00 0.00 0.52 0.00 0.00 34.95 31.71 2uva s ARG 1023CO 0.50 -0.25 0.00 0.41 0.02 0.00 0.00 175.30 175.98 2uva n GLY 1024N 3.06 0.62 3.27 -3.53 0.00 -1.26 -5.10 105.19 102.24 2uva n GLY 1024Ca 0.08 -0.36 -0.12 0.00 0.00 0.00 0.00 46.02 45.62 2uva n GLY 1024CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2uva s GLN 1025N -2.60 0.43 0.19 1.61 -0.21 -1.24 -5.00 119.66 112.84 2uva s GLN 1025Ca 0.00 0.60 -0.33 0.00 0.02 0.00 0.00 55.36 55.65 2uva s GLN 1025Cb 0.00 0.15 -0.14 0.00 1.00 0.00 0.00 33.01 34.02 2uva s GLN 1025CO 0.00 -0.08 1.44 1.17 -2.12 0.00 0.00 175.29 175.70 2uva n LYS 1026N 3.25 1.92 -1.61 2.91 4.81 -1.26 -4.83 118.16 123.34 2uva n LYS 1026Ca -0.16 0.69 -0.48 0.00 -0.87 0.00 0.00 58.31 57.48 2uva n LYS 1026Cb 0.57 -2.37 -0.04 0.00 0.02 0.00 0.00 35.03 33.20 2uva n LYS 1026CO 0.00 0.00 0.00 -2.30 1.17 0.00 0.00 177.40 176.27 2uva n PRO 1027N 2.56 1.43 -1.40 1.64 -0.02 -1.26 -4.84 135.00 133.12 2uva n PRO 1027Ca 0.14 0.51 -0.45 0.00 -2.02 0.00 0.00 63.50 61.68 2uva n PRO 1027Cb 0.29 -2.10 -0.02 0.00 -0.02 0.00 0.00 33.50 31.65 2uva n PRO 1027CO 0.00 0.00 0.00 1.55 1.98 0.00 0.00 175.50 179.03 2uva n VAL 1028N 2.00 1.64 0.75 -1.45 3.14 -1.26 -4.85 118.33 118.30 2uva n VAL 1028Ca 0.15 -0.50 0.02 0.00 -2.96 0.00 0.00 64.34 61.05 2uva n VAL 1028Cb 0.25 -0.16 0.08 0.00 -1.06 0.00 0.00 33.84 32.96 2uva n VAL 1028CO 0.00 0.00 0.00 -2.65 -6.46 0.00 0.00 176.83 167.72 2uva n PRO 1029N 1.01 1.74 -0.08 1.45 -0.02 -1.26 -4.92 135.00 132.92 2uva n PRO 1029Ca 0.15 -0.64 0.00 0.00 -2.02 0.00 0.00 63.50 60.99 2uva n PRO 1029Cb 0.31 -1.58 0.00 0.00 -0.02 0.00 0.00 33.50 32.21 2uva n PRO 1029CO 0.00 0.00 0.00 1.97 1.98 0.00 0.00 175.50 179.45 2uva n PHE 1030N 0.10 -0.05 -3.96 6.00 1.16 -1.26 -4.15 117.46 115.30 2uva n PHE 1030Ca 0.06 0.00 -0.27 0.00 -1.87 0.00 0.00 57.45 55.36 2uva n PHE 1030Cb 0.40 0.00 -0.17 0.00 -1.61 0.00 0.00 39.48 38.10 2uva n PHE 1030CO 0.00 0.00 0.00 0.08 -1.87 0.00 0.00 176.76 174.97 2uva s VAL 1031N -2.56 1.14 0.10 1.97 1.01 -0.18 -4.81 120.40 117.08 2uva s VAL 1031Ca 0.00 -0.36 0.06 0.00 0.00 0.00 0.00 61.98 61.67 2uva s VAL 1031Cb 0.00 -1.13 -0.22 0.00 0.00 0.00 0.00 36.38 35.03 2uva s VAL 1031CO 0.00 0.39 1.22 -0.65 0.00 0.00 0.00 175.10 176.05 2uva h PRO 1032N 8.10 0.04 -1.37 2.72 0.11 -1.94 -2.38 132.00 137.26 2uva h PRO 1032Ca -0.31 -0.07 0.37 0.00 0.11 0.00 0.00 66.00 66.10 2uva h PRO 1032Cb 1.13 0.03 -0.12 0.00 0.11 0.00 0.00 31.00 32.15 2uva h PRO 1032CO 0.43 1.00 0.93 0.00 -0.21 0.00 0.00 178.00 180.16 2uva s ALA 1033N -2.69 -2.45 -0.91 -0.75 0.00 -1.26 -4.71 121.76 108.98 2uva s ALA 1033Ca -0.00 0.70 -0.04 0.00 0.00 0.00 0.00 51.96 52.62 2uva s ALA 1033Cb 0.09 0.41 0.13 0.00 0.00 0.00 0.00 23.12 23.76 2uva s ALA 1033CO 0.83 -1.08 2.46 1.28 0.00 0.00 0.00 175.76 179.25 2uva n LEU 1034N -0.59 7.32 0.00 0.00 4.77 -1.26 -4.70 117.00 122.55 2uva n LEU 1034Ca -0.06 -4.61 0.00 0.00 -0.03 0.00 0.00 56.01 51.31 2uva n LEU 1034Cb 0.62 -1.27 0.00 0.00 -2.33 0.00 0.00 43.42 40.44 2uva n LEU 1034CO 0.12 1.91 0.00 -0.90 -1.33 0.00 0.00 177.39 177.19 2uva n ASP 1035N 1.06 0.00 0.09 -1.43 5.75 -1.26 -4.84 116.55 115.92 2uva n ASP 1035Ca 0.55 0.00 0.11 0.00 -0.01 0.00 0.00 54.79 55.44 2uva n ASP 1035Cb 0.37 0.00 0.44 0.00 -1.03 0.00 0.00 41.12 40.89 2uva n ASP 1035CO 0.00 0.00 0.00 -1.84 -0.11 0.00 0.00 177.20 175.25 2uva n GLU 1036N 0.00 0.14 -0.27 0.11 0.28 -1.26 -2.89 120.64 116.75 2uva n GLU 1036Ca 0.00 0.36 0.07 0.00 -0.16 0.00 0.00 57.16 57.42 2uva n GLU 1036Cb 0.00 -1.75 0.19 0.00 1.43 0.00 0.00 31.44 31.31 2uva n GLU 1036CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 2uva n ASN 1037N -2.01 3.28 -0.13 -1.84 3.02 -1.26 -4.70 115.26 111.62 2uva n ASN 1037Ca 0.03 -2.34 0.27 0.00 -0.03 0.00 0.00 54.58 52.51 2uva n ASN 1037Cb 0.22 -0.34 0.72 0.00 -0.61 0.00 0.00 39.78 39.77 2uva n ASN 1037CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 2uva h PHE 1038N 2.00 0.00 0.58 3.10 3.57 -1.81 0.35 116.94 124.73 2uva h PHE 1038Ca 0.00 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.47 2uva h PHE 1038Cb 0.98 0.00 0.01 0.00 2.79 0.00 0.00 35.95 39.72 2uva h PHE 1038CO 0.33 0.00 -0.28 1.49 -2.23 0.00 0.00 178.31 177.62 2uva h GLU 1039N 0.00 -0.75 -0.47 1.11 4.81 -1.88 -1.94 114.58 115.46 2uva h GLU 1039Ca 0.38 0.05 0.09 0.00 -0.13 0.00 0.00 59.36 59.76 2uva h GLU 1039Cb 1.60 0.17 -0.08 0.00 0.63 0.00 0.00 28.75 31.07 2uva h GLU 1039CO -0.00 -0.45 -0.05 -0.92 -0.73 0.00 0.00 179.01 176.85 2uva h TYR 1040N -0.95 -0.13 -0.54 0.92 3.20 -1.35 -1.22 116.97 116.90 2uva h TYR 1040Ca -0.08 0.04 0.10 0.00 3.14 0.00 0.00 58.73 61.92 2uva h TYR 1040Cb 0.65 0.13 -0.08 0.00 1.54 0.00 0.00 36.73 38.98 2uva h TYR 1040CO -0.01 -0.15 0.11 -1.49 -1.64 0.00 0.00 178.16 174.98 2uva h TRP 1041N 0.06 0.18 0.13 -3.82 -0.00 -1.27 -2.61 115.95 108.62 2uva h TRP 1041Ca 0.23 0.03 -0.01 0.00 -0.00 0.00 0.00 58.89 59.15 2uva h TRP 1041Cb 0.36 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 29.52 2uva h TRP 1041CO -0.35 -0.01 -0.06 0.35 -0.00 0.00 0.00 178.44 178.37 2uva h PHE 1042N 0.25 -0.16 -0.29 0.49 3.57 -0.45 -3.39 116.94 116.96 2uva h PHE 1042Ca 0.28 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.77 2uva h PHE 1042Cb 0.38 0.05 0.00 0.00 2.79 0.00 0.00 35.95 39.18 2uva h PHE 1042CO -0.23 0.31 0.00 0.36 -2.23 0.00 0.00 178.31 176.51 2uva n LYS 1043N -4.89 2.86 -2.78 1.11 2.85 -0.57 -4.92 118.16 111.83 2uva n LYS 1043Ca -0.08 -2.18 -0.41 0.00 -1.05 0.00 0.00 58.31 54.60 2uva n LYS 1043Cb 0.27 -1.37 -0.04 0.00 -0.65 0.00 0.00 35.03 33.24 2uva n LYS 1043CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 177.40 177.56 2uva s LYS 1044N -1.42 4.60 -0.45 -1.58 2.47 -0.98 -4.40 119.74 117.99 2uva s LYS 1044Ca 0.25 1.34 -0.26 0.00 -1.56 0.00 0.00 55.97 55.75 2uva s LYS 1044Cb 0.16 -3.41 0.04 0.00 -1.46 0.00 0.00 37.83 33.16 2uva s LYS 1044CO 0.13 0.13 0.63 -3.47 0.16 0.00 0.00 175.35 172.92 2uva n ASP 1045N 3.23 -6.87 -0.00 1.43 2.03 -1.26 -4.95 116.55 110.15 2uva n ASP 1045Ca 0.03 0.22 0.03 0.00 0.52 0.00 0.00 54.79 55.58 2uva n ASP 1045Cb 0.50 -3.75 -0.04 0.00 -0.72 0.00 0.00 41.12 37.11 2uva n ASP 1045CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 2uva n SER 1046N -0.29 1.18 0.01 1.67 3.41 -1.26 -4.77 113.62 113.57 2uva n SER 1046Ca 0.02 -0.47 -0.08 0.00 -0.26 0.00 0.00 58.87 58.09 2uva n SER 1046Cb 0.56 1.08 -0.06 0.00 -0.26 0.00 0.00 64.21 65.53 2uva n SER 1046CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 2uva h LEU 1047N 0.00 -0.12 -1.21 1.04 3.38 -1.93 -3.36 115.31 113.11 2uva h LEU 1047Ca 0.00 -0.33 0.35 0.00 0.09 0.00 0.00 57.88 57.99 2uva h LEU 1047Cb 0.18 0.03 -0.05 0.00 0.09 0.00 0.00 40.66 40.91 2uva h LEU 1047CO 0.00 0.49 0.94 -2.67 0.09 0.00 0.00 178.44 177.29 2uva n TRP 1048N -4.84 0.00 0.11 1.13 4.27 -1.26 -0.22 117.44 116.64 2uva n TRP 1048Ca -0.06 0.00 -0.03 0.00 -3.89 0.00 0.00 57.50 53.52 2uva n TRP 1048Cb 0.22 -0.30 0.09 0.00 -1.36 0.00 0.00 31.31 29.95 2uva n TRP 1048CO 0.00 0.00 0.00 1.96 -2.29 0.00 0.00 177.69 177.36 2uva h GLN 1049N 0.00 0.02 0.00 -2.67 4.20 -1.87 -2.87 115.11 111.92 2uva h GLN 1049Ca 0.58 -0.02 -0.02 0.00 0.06 0.00 0.00 58.65 59.24 2uva h GLN 1049Cb 2.44 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 30.22 2uva h GLN 1049CO -0.01 0.73 -0.12 1.03 -0.67 0.00 0.00 178.83 179.80 2uva h SER 1050N 0.01 0.00 1.21 1.46 0.87 -0.81 -2.91 113.55 113.39 2uva h SER 1050Ca -0.01 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.55 2uva h SER 1050Cb 1.28 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.24 2uva h SER 1050CO 0.10 0.12 -0.49 -0.08 -0.53 0.00 0.00 176.83 175.94 2uva h GLU 1051N 0.00 0.00 -1.97 2.24 4.57 -1.65 -2.85 114.58 114.92 2uva h GLU 1051Ca -0.00 0.00 -0.47 0.00 -1.18 0.00 0.00 59.36 57.71 2uva h GLU 1051Cb 0.22 0.00 -0.32 0.00 -0.16 0.00 0.00 28.75 28.49 2uva h GLU 1051CO 0.02 0.00 -0.85 -3.47 -1.18 0.00 0.00 179.01 173.52 2uva n ASP 1052N -2.46 -1.27 0.14 1.04 4.64 -1.11 -4.21 116.55 113.33 2uva n ASP 1052Ca 0.03 -2.53 0.13 0.00 -1.38 0.00 0.00 54.79 51.04 2uva n ASP 1052Cb 0.48 0.07 0.47 0.00 -1.04 0.00 0.00 41.12 41.10 2uva n ASP 1052CO 0.00 0.00 0.00 0.40 -0.82 0.00 0.00 177.20 176.78 2uva h ILE 1053N 4.62 0.00 0.00 5.18 2.04 -1.76 -2.69 117.51 124.89 2uva h ILE 1053Ca 0.20 -0.37 -0.01 0.00 1.00 0.00 0.00 64.86 65.68 2uva h ILE 1053Cb 0.96 1.23 -0.00 0.00 -0.74 0.00 0.00 36.82 38.27 2uva h ILE 1053CO 0.28 0.00 -0.04 -0.33 0.00 0.00 0.00 178.15 178.06 2uva h GLU 1054N 0.00 0.00 -0.00 2.37 4.39 -1.89 -2.63 114.58 116.82 2uva h GLU 1054Ca 0.00 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.69 2uva h GLU 1054Cb 0.52 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.17 2uva h GLU 1054CO 0.00 0.04 -0.04 0.00 -1.16 0.00 0.00 179.01 177.84 2uva h ALA 1055N 1.96 0.01 -2.22 3.43 0.00 -1.84 -3.46 119.26 117.14 2uva h ALA 1055Ca -0.00 -0.41 -0.59 0.00 0.00 0.00 0.00 54.91 53.91 2uva h ALA 1055Cb 0.14 0.00 0.18 0.00 0.00 0.00 0.00 17.79 18.11 2uva h ALA 1055CO 0.00 -0.07 -0.83 0.28 0.00 0.00 0.00 179.25 178.63 2uva n VAL 1056N -4.68 0.98 -1.72 0.00 0.31 -0.99 -4.83 118.33 107.40 2uva n VAL 1056Ca -0.09 -0.50 -0.42 0.00 -0.01 0.00 0.00 64.34 63.32 2uva n VAL 1056Cb 0.40 -0.30 -0.03 0.00 -0.91 0.00 0.00 33.84 33.01 2uva n VAL 1056CO 0.00 0.00 0.00 -0.47 -1.32 0.00 0.00 176.83 175.04 2uva s TYR 1057N -1.88 1.82 0.00 3.52 5.04 -1.26 -1.91 117.35 122.68 2uva s TYR 1057Ca 0.62 -0.17 0.00 0.00 -2.44 0.00 0.00 57.07 55.08 2uva s TYR 1057Cb -0.47 -4.18 0.00 0.00 0.35 0.00 0.00 41.96 37.66 2uva s TYR 1057CO 0.61 -5.05 0.00 0.41 -1.34 0.00 0.00 175.55 170.18 2uva n GLY 1058N 4.34 2.27 2.16 8.97 0.00 -1.26 -4.07 105.19 117.60 2uva n GLY 1058Ca 0.18 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.12 2uva n GLY 1058CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2uva n GLN 1059N -1.48 -0.66 -4.09 1.61 6.02 -0.80 -5.02 117.38 112.95 2uva n GLN 1059Ca 0.00 0.43 -0.34 0.00 -0.01 0.00 0.00 57.00 57.08 2uva n GLN 1059Cb 0.00 -4.39 -0.07 0.00 1.02 0.00 0.00 30.24 26.80 2uva n GLN 1059CO 0.00 0.00 0.00 0.16 -1.01 0.00 0.00 177.06 176.21 2uva s ASP 1060N -2.64 5.78 0.43 1.08 -4.77 -1.26 -4.85 116.67 110.45 2uva s ASP 1060Ca 0.00 0.21 0.29 0.00 -3.30 0.00 0.00 52.55 49.76 2uva s ASP 1060Cb 0.00 -1.71 1.18 0.00 -1.09 0.00 0.00 42.92 41.31 2uva s ASP 1060CO 0.00 0.31 1.87 0.58 0.70 0.00 0.00 175.17 178.63 2uva h VAL 1061N 3.43 0.00 -0.95 2.11 2.07 -1.94 -3.29 116.25 117.68 2uva h VAL 1061Ca -0.50 -0.42 0.27 0.00 0.82 0.00 0.00 66.70 66.87 2uva h VAL 1061Cb 1.19 1.32 -0.04 0.00 -1.52 0.00 0.00 31.29 32.24 2uva h VAL 1061CO 0.61 0.00 0.84 1.23 0.02 0.00 0.00 177.57 180.27 2uva h GLY 1062N 2.24 0.00 -1.59 2.17 0.00 -1.97 0.39 103.07 104.32 2uva h GLY 1062Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.26 2uva h GLY 1062CO 0.00 0.00 -0.03 -0.96 0.00 0.00 0.00 176.54 175.55 2uva n ARG 1063N -3.78 2.34 -4.32 4.80 1.85 -1.24 0.13 116.66 116.44 2uva n ARG 1063Ca 0.20 -2.94 -0.24 0.00 -1.00 0.00 0.00 57.85 53.87 2uva n ARG 1063Cb 1.16 -1.80 -0.08 0.00 -1.05 0.00 0.00 32.46 30.69 2uva n ARG 1063CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 2uva s THR 1064N -2.99 2.96 -0.47 8.89 2.01 0.14 -0.49 115.64 125.68 2uva s THR 1064Ca 0.42 -1.99 -0.17 0.00 0.31 0.00 0.00 61.69 60.27 2uva s THR 1064Cb 0.36 -2.76 0.06 0.00 0.01 0.00 0.00 72.50 70.17 2uva s THR 1064CO 0.05 -0.29 0.46 0.00 -0.69 0.00 0.00 174.62 174.14 2uva s ILE 1066N 1.99 1.94 0.05 0.00 1.01 -1.26 -4.42 121.20 120.51 2uva s ILE 1066Ca 0.08 -0.91 -0.16 0.00 0.00 0.00 0.00 60.65 59.67 2uva s ILE 1066Cb -0.21 -1.72 -0.06 0.00 0.01 0.00 0.00 42.46 40.47 2uva s ILE 1066CO 0.09 0.53 0.47 -0.76 0.00 0.00 0.00 174.94 175.28 2uva s LEU 1067N 0.83 4.47 -0.08 2.97 1.02 -1.26 0.23 118.68 126.86 2uva s LEU 1067Ca -0.07 1.06 -0.20 0.00 0.02 0.00 0.00 54.13 54.93 2uva s LEU 1067Cb -0.15 -2.79 0.04 0.00 0.02 0.00 0.00 46.19 43.31 2uva s LEU 1067CO -0.01 0.27 0.48 -1.10 0.02 0.00 0.00 176.35 176.01 2uva s GLN 1068N -1.25 0.76 0.83 1.70 -1.52 -1.00 -4.81 119.66 114.37 2uva s GLN 1068Ca 0.28 0.20 -0.11 0.00 -1.95 0.00 0.00 55.36 53.78 2uva s GLN 1068Cb -0.17 0.35 0.09 0.00 -0.22 0.00 0.00 33.01 33.06 2uva s GLN 1068CO 0.16 -0.19 1.10 0.20 -0.25 0.00 0.00 175.29 176.31 2uva s GLY 1069N -0.82 1.66 0.48 3.09 0.00 -1.26 -4.36 107.32 106.11 2uva s GLY 1069Ca -0.09 0.24 0.27 0.00 0.00 0.00 0.00 44.72 45.14 2uva s GLY 1069CO 0.05 0.64 1.75 -2.55 0.00 0.00 0.00 173.10 172.99 2uva h PRO 1070N -1.36 0.00 0.00 2.90 0.11 -1.82 -3.35 132.00 128.48 2uva h PRO 1070Ca -0.45 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.65 2uva h PRO 1070Cb 1.25 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.36 2uva h PRO 1070CO 0.50 0.01 -1.26 1.55 -0.21 0.00 0.00 178.00 178.60 2uva n VAL 1071N -3.10 0.03 0.24 3.15 3.14 -1.26 -1.15 118.33 119.38 2uva n VAL 1071Ca 0.03 -0.13 0.04 0.00 -2.96 0.00 0.00 64.34 61.31 2uva n VAL 1071Cb 0.45 0.26 0.18 0.00 -1.06 0.00 0.00 33.84 33.67 2uva n VAL 1071CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2uva n ALA 1072N -1.73 3.04 -0.05 1.55 0.00 -1.25 -3.98 120.51 118.08 2uva n ALA 1072Ca -0.02 -0.84 -0.07 0.00 0.00 0.00 0.00 53.44 52.51 2uva n ALA 1072Cb 0.19 -1.05 -0.14 0.00 0.00 0.00 0.00 19.45 18.45 2uva n ALA 1072CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2uva n ALA 1073N 0.32 1.63 -0.05 0.00 0.00 -1.26 -3.94 120.51 117.21 2uva n ALA 1073Ca 0.13 -0.97 -0.16 0.00 0.00 0.00 0.00 53.44 52.43 2uva n ALA 1073Cb 0.63 -0.57 -0.06 0.00 0.00 0.00 0.00 19.45 19.45 2uva n ALA 1073CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 2uva h LYS 1074N 0.00 0.78 0.00 0.00 2.10 -1.69 -3.27 116.57 114.49 2uva h LYS 1074Ca -0.37 -0.56 0.00 0.00 -2.00 0.00 0.00 60.65 57.72 2uva h LYS 1074Cb 2.01 0.09 0.00 0.00 -0.90 0.00 0.00 32.23 33.43 2uva h LYS 1074CO 0.05 1.18 0.00 0.66 -2.00 0.00 0.00 179.45 179.34 2uva n TYR 1075N -4.04 0.00 -4.19 0.07 4.02 -1.25 -4.42 117.16 107.35 2uva n TYR 1075Ca -0.06 0.00 -0.30 0.00 -0.01 0.00 0.00 57.90 57.53 2uva n TYR 1075Cb 0.66 0.00 -0.17 0.00 -0.02 0.00 0.00 39.34 39.81 2uva n TYR 1075CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 2uva s SER 1076N -1.70 2.62 0.00 7.72 1.04 -1.23 -4.85 113.70 117.30 2uva s SER 1076Ca 0.02 -0.47 0.00 0.00 0.48 0.00 0.00 55.95 55.98 2uva s SER 1076Cb 0.01 -1.16 0.00 0.00 0.10 0.00 0.00 66.02 64.97 2uva s SER 1076CO 0.01 -0.03 0.00 0.29 0.98 0.00 0.00 173.24 174.50 2uva n LYS 1077N 4.55 1.07 -4.09 4.02 5.02 -1.26 -4.51 118.16 122.95 2uva n LYS 1077Ca -0.18 0.00 -0.34 0.00 -2.02 0.00 0.00 58.31 55.77 2uva n LYS 1077Cb 0.50 -0.68 -0.07 0.00 -0.02 0.00 0.00 35.03 34.76 2uva n LYS 1077CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2uva s VAL 1078N -1.36 4.86 0.33 -0.18 1.01 -1.26 -4.96 120.40 118.85 2uva s VAL 1078Ca 0.00 -0.24 0.04 0.00 0.00 0.00 0.00 61.98 61.78 2uva s VAL 1078Cb 0.00 -3.18 -0.02 0.00 0.00 0.00 0.00 36.38 33.18 2uva s VAL 1078CO 0.00 0.44 0.50 0.27 0.00 0.00 0.00 175.10 176.31 2uva s ILE 1079N -1.12 4.58 -1.57 2.22 -4.36 -1.26 -4.57 121.20 115.12 2uva s ILE 1079Ca 0.20 -0.79 0.00 0.00 -0.26 0.00 0.00 60.65 59.80 2uva s ILE 1079Cb -0.12 -3.63 0.00 0.00 1.25 0.00 0.00 42.46 39.96 2uva s ILE 1079CO 0.10 -0.32 0.00 0.47 0.24 0.00 0.00 174.94 175.44 2uva n ASP 1080N -1.70 -4.78 -4.74 4.36 8.00 -0.45 -4.94 116.55 112.30 2uva n ASP 1080Ca -0.03 0.20 -0.41 0.00 0.71 0.00 0.00 54.79 55.26 2uva n ASP 1080Cb 0.57 -4.11 -0.03 0.00 -0.02 0.00 0.00 41.12 37.53 2uva n ASP 1080CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2uva s GLU 1081N -4.45 4.48 0.57 -1.24 2.02 -1.20 -4.05 118.70 114.82 2uva s GLU 1081Ca 0.00 1.94 -0.21 0.00 0.02 0.00 0.00 54.97 56.72 2uva s GLU 1081Cb 0.00 -3.20 -0.04 0.00 0.10 0.00 0.00 34.13 30.98 2uva s GLU 1081CO 0.00 -0.09 1.35 -2.14 0.02 0.00 0.00 175.26 174.40 2uva s PRO 1082N -0.55 3.02 0.10 0.39 0.02 -1.26 -1.00 135.00 135.71 2uva s PRO 1082Ca 0.52 2.22 -0.07 0.00 0.02 0.00 0.00 61.00 63.69 2uva s PRO 1082Cb -0.34 -2.18 -0.18 0.00 0.02 0.00 0.00 34.50 31.82 2uva s PRO 1082CO 0.39 -1.28 1.22 0.97 -0.33 0.00 0.00 177.00 177.97 2uva h ILE 1083N 1.27 1.40 -1.14 2.83 2.10 -1.94 -2.77 117.51 119.26 2uva h ILE 1083Ca -0.51 -2.59 0.32 0.00 1.08 0.00 0.00 64.86 63.16 2uva h ILE 1083Cb 1.31 2.60 -0.09 0.00 -1.09 0.00 0.00 36.82 39.55 2uva h ILE 1083CO 0.56 0.77 0.76 0.50 -1.08 0.00 0.00 178.15 179.67 2uva h LYS 1084N 0.21 0.22 0.22 2.19 1.63 -1.91 -1.32 116.57 117.82 2uva h LYS 1084Ca -0.12 -0.01 -0.01 0.00 -0.85 0.00 0.00 60.65 59.66 2uva h LYS 1084Cb 1.75 -0.05 0.00 0.00 -0.60 0.00 0.00 32.23 33.33 2uva h LYS 1084CO 0.19 0.15 -0.11 -0.44 -3.45 0.00 0.00 179.45 175.79 2uva h ASP 1085N 0.23 -0.25 -0.46 4.20 3.32 -1.87 -1.94 116.42 119.64 2uva h ASP 1085Ca 0.63 -0.13 0.09 0.00 0.02 0.00 0.00 57.03 57.65 2uva h ASP 1085Cb 1.93 0.06 -0.09 0.00 0.22 0.00 0.00 39.33 41.45 2uva h ASP 1085CO -0.24 0.26 -0.18 0.40 -1.72 0.00 0.00 179.24 177.76 2uva h ILE 1086N -1.03 0.43 0.50 0.35 2.04 -1.19 0.34 117.51 118.94 2uva h ILE 1086Ca -0.03 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.81 2uva h ILE 1086Cb 0.36 0.43 0.00 0.00 -0.74 0.00 0.00 36.82 36.87 2uva h ILE 1086CO 0.05 0.00 -0.24 -0.07 0.00 0.00 0.00 178.15 177.89 2uva h LEU 1087N -0.08 -0.56 -0.51 1.44 3.38 -1.41 -1.99 115.31 115.59 2uva h LEU 1087Ca 0.22 -0.07 0.07 0.00 0.09 0.00 0.00 57.88 58.19 2uva h LEU 1087Cb 0.42 0.15 -0.10 0.00 0.09 0.00 0.00 40.66 41.22 2uva h LEU 1087CO -0.52 -0.21 -0.47 0.44 0.09 0.00 0.00 178.44 177.77 2uva h ASP 1088N -0.96 -1.61 -0.73 -0.43 3.32 -1.02 0.64 116.42 115.63 2uva h ASP 1088Ca -0.07 0.24 0.14 0.00 0.02 0.00 0.00 57.03 57.37 2uva h ASP 1088Cb 0.60 0.70 -0.10 0.00 0.22 0.00 0.00 39.33 40.76 2uva h ASP 1088CO 0.11 -0.36 0.25 1.23 -1.72 0.00 0.00 179.24 178.75 2uva h GLY 1089N -0.29 1.06 2.00 2.75 0.00 -0.35 0.24 103.07 108.48 2uva h GLY 1089Ca 0.14 -0.10 -0.00 0.00 0.00 0.00 0.00 47.33 47.36 2uva h GLY 1089CO -0.65 -0.13 -0.02 -2.22 0.00 0.00 0.00 176.54 173.53 2uva h ILE 1090N 0.37 0.04 0.22 2.60 2.04 -0.41 -0.88 117.51 121.49 2uva h ILE 1090Ca 0.40 -0.63 -0.29 0.00 1.00 0.00 0.00 64.86 65.34 2uva h ILE 1090Cb 0.63 1.61 0.03 0.00 -0.74 0.00 0.00 36.82 38.34 2uva h ILE 1090CO -0.43 0.02 -1.26 -0.74 0.00 0.00 0.00 178.15 175.74 2uva h HIS 1091N 0.00 0.85 -0.02 1.37 2.76 0.16 -3.29 115.15 116.98 2uva h HIS 1091Ca -0.00 -0.62 -0.23 0.00 -2.20 0.00 0.00 60.37 57.32 2uva h HIS 1091Cb 0.60 -0.04 0.01 0.00 1.55 0.00 0.00 27.41 29.54 2uva h HIS 1091CO 0.00 1.48 -0.93 -0.91 -1.30 0.00 0.00 177.93 176.27 2uva h ASN 1092N -0.01 0.65 0.13 3.26 2.35 -0.69 -1.37 115.58 119.90 2uva h ASN 1092Ca -0.22 -0.51 0.00 0.00 -0.55 0.00 0.00 56.30 55.03 2uva h ASN 1092Cb 2.00 -0.20 0.00 0.00 0.05 0.00 0.00 38.32 40.17 2uva h ASN 1092CO 0.24 1.30 0.00 0.44 -1.65 0.00 0.00 177.43 177.76 2uva h ASP 1093N 0.30 0.00 0.08 5.81 3.32 -1.33 0.68 116.42 125.27 2uva h ASP 1093Ca -0.08 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 56.85 2uva h ASP 1093Cb 1.56 0.00 0.01 0.00 0.22 0.00 0.00 39.33 41.12 2uva h ASP 1093CO 0.17 0.00 -0.52 0.45 -1.72 0.00 0.00 179.24 177.62 2uva h HIS 1094N 0.00 0.30 -0.46 4.55 3.86 -1.38 -1.13 115.15 120.89 2uva h HIS 1094Ca 0.00 -0.22 -0.07 0.00 -1.16 0.00 0.00 60.37 58.93 2uva h HIS 1094Cb 0.07 -0.01 -0.02 0.00 1.06 0.00 0.00 27.41 28.50 2uva h HIS 1094CO 0.00 1.20 0.02 -0.84 0.86 0.00 0.00 177.93 179.17 2uva h ILE 1095N -0.65 1.23 -0.07 2.45 3.07 -0.81 0.31 117.51 123.04 2uva h ILE 1095Ca -0.10 -0.94 -0.06 0.00 1.55 0.00 0.00 64.86 65.31 2uva h ILE 1095Cb 1.37 0.86 0.00 0.00 -0.27 0.00 0.00 36.82 38.79 2uva h ILE 1095CO 0.07 0.33 -0.20 0.11 -1.05 0.00 0.00 178.15 177.41 2uva h LYS 1096N 0.70 0.26 -0.71 0.16 1.57 -0.99 0.41 116.57 117.97 2uva h LYS 1096Ca 0.14 -0.19 0.12 0.00 -1.87 0.00 0.00 60.65 58.86 2uva h LYS 1096Cb 0.41 0.03 -0.09 0.00 0.08 0.00 0.00 32.23 32.66 2uva h LYS 1096CO 0.01 0.80 0.28 0.74 -0.57 0.00 0.00 179.45 180.72 2uva h PHE 1097N -0.24 0.48 -0.07 -1.35 -1.00 -1.14 -1.99 116.94 111.63 2uva h PHE 1097Ca -0.01 0.03 -0.20 0.00 2.81 0.00 0.00 57.97 60.61 2uva h PHE 1097Cb 0.82 -0.11 0.00 0.00 3.61 0.00 0.00 35.95 40.27 2uva h PHE 1097CO 0.12 0.08 -0.79 1.25 -1.61 0.00 0.00 178.31 177.37 2uva h LEU 1098N 0.44 0.59 0.36 1.54 5.85 -0.15 -2.25 115.31 121.69 2uva h LEU 1098Ca 0.38 -0.40 -0.02 0.00 0.84 0.00 0.00 57.88 58.68 2uva h LEU 1098Cb 0.53 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.39 2uva h LEU 1098CO -0.37 1.17 -0.17 0.25 -0.34 0.00 0.00 178.44 178.98 2uva h LEU 1099N 0.32 -0.41 -1.84 2.25 5.85 -0.06 -1.37 115.31 120.05 2uva h LEU 1099Ca -0.05 0.01 0.42 0.00 0.84 0.00 0.00 57.88 59.11 2uva h LEU 1099Cb 1.39 0.11 -0.08 0.00 0.37 0.00 0.00 40.66 42.45 2uva h LEU 1099CO 0.14 -0.20 1.02 -0.09 -0.34 0.00 0.00 178.44 178.97 2uva h ARG 1100N -0.67 0.05 0.00 1.25 2.43 -1.46 0.47 114.38 116.45 2uva h ARG 1100Ca -0.05 -0.00 -0.16 0.00 -0.81 0.00 0.00 59.98 58.95 2uva h ARG 1100Cb 0.37 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.88 2uva h ARG 1100CO 0.08 0.03 -1.39 -0.44 -1.51 0.00 0.00 179.97 176.74 2uva h ASP 1101N 0.05 0.00 0.00 -3.80 3.32 -1.30 -3.38 116.42 111.31 2uva h ASP 1101Ca 0.73 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.78 2uva h ASP 1101Cb 2.73 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 42.27 2uva h ASP 1101CO -0.11 0.57 -0.49 0.18 -1.72 0.00 0.00 179.24 177.67 2uva n LEU 1102N -2.89 0.01 0.00 1.55 4.77 -0.52 -4.88 117.00 115.03 2uva n LEU 1102Ca -0.09 -1.01 0.00 0.00 -0.03 0.00 0.00 56.01 54.88 2uva n LEU 1102Cb 0.83 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.92 2uva n LEU 1102CO 0.43 0.27 0.00 -1.22 -1.33 0.00 0.00 177.39 175.53 2uva n TYR 1103N 0.00 0.00 -1.19 -1.77 4.01 0.16 -4.99 117.16 113.39 2uva n TYR 1103Ca 0.00 0.00 -0.06 0.00 -0.16 0.00 0.00 57.90 57.68 2uva n TYR 1103Cb 0.70 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.71 2uva n TYR 1103CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 2uva n ASP 1104N 0.00 -4.01 0.00 7.72 9.92 -1.11 -1.61 116.55 127.46 2uva n ASP 1104Ca 0.00 0.16 0.00 0.00 -0.53 0.00 0.00 54.79 54.42 2uva n ASP 1104Cb 0.11 -2.08 0.00 0.00 -0.64 0.00 0.00 41.12 38.51 2uva n ASP 1104CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2uva n GLY 1105N -1.88 1.81 3.54 0.44 0.00 -1.24 -4.95 105.19 102.91 2uva n GLY 1105Ca -0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.54 2uva n GLY 1105CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2uva s LYS 1106N -0.22 3.41 0.44 1.61 -0.14 -0.63 -4.85 119.74 119.35 2uva s LYS 1106Ca 0.00 -0.82 0.24 0.00 -1.36 0.00 0.00 55.97 54.03 2uva s LYS 1106Cb 0.00 -4.83 1.33 0.00 -1.68 0.00 0.00 37.83 32.65 2uva s LYS 1106CO 0.00 -2.13 1.72 0.93 -0.76 0.00 0.00 175.35 175.11 2uva h GLU 1107N 9.80 0.00 0.00 1.68 5.08 -1.94 -0.35 114.58 128.86 2uva h GLU 1107Ca -0.01 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.26 2uva h GLU 1107Cb 1.03 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.27 2uva h GLU 1107CO 1.34 0.00 -0.43 0.93 -1.00 0.00 0.00 179.01 179.84 2uva h GLU 1108N 0.00 0.00 0.00 2.33 5.08 -1.93 -3.14 114.58 116.92 2uva h GLU 1108Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2uva h GLU 1108Cb 0.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.54 2uva h GLU 1108CO 0.00 0.43 0.00 0.09 -1.00 0.00 0.00 179.01 178.53 2uva n ASN 1109N -3.25 0.00 -4.61 1.42 3.02 -0.14 -4.73 115.26 106.98 2uva n ASN 1109Ca 0.02 -0.90 -0.41 0.00 -0.03 0.00 0.00 54.58 53.25 2uva n ASN 1109Cb 0.68 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.79 2uva n ASN 1109CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2uva s VAL 1110N -2.00 4.93 1.02 2.41 1.01 -1.19 -5.06 120.40 121.52 2uva s VAL 1110Ca 0.41 0.95 -0.13 0.00 0.00 0.00 0.00 61.98 63.20 2uva s VAL 1110Cb 0.19 -4.00 0.13 0.00 0.00 0.00 0.00 36.38 32.70 2uva s VAL 1110CO 0.31 -0.12 0.67 -2.65 0.00 0.00 0.00 175.10 173.32 2uva n PRO 1111N 5.88 -1.02 -3.88 2.72 -0.02 -1.26 -4.81 135.00 132.61 2uva n PRO 1111Ca -0.00 -0.26 -0.11 0.00 -2.02 0.00 0.00 63.50 61.11 2uva n PRO 1111Cb 0.49 -2.04 -0.12 0.00 -0.02 0.00 0.00 33.50 31.81 2uva n PRO 1111CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2uva s VAL 1112N -2.44 0.05 0.26 -1.45 1.01 -1.26 -2.16 120.40 114.40 2uva s VAL 1112Ca 0.62 -0.39 0.04 0.00 0.00 0.00 0.00 61.98 62.24 2uva s VAL 1112Cb -0.21 -0.25 -0.06 0.00 0.00 0.00 0.00 36.38 35.86 2uva s VAL 1112CO 0.64 -0.22 0.01 -0.63 0.00 0.00 0.00 175.10 174.91 2uva s ILE 1113N -0.69 1.09 0.02 2.22 1.01 0.09 -4.94 121.20 119.99 2uva s ILE 1113Ca -0.08 -2.03 -0.11 0.00 0.00 0.00 0.00 60.65 58.43 2uva s ILE 1113Cb -0.05 -2.48 -0.06 0.00 0.01 0.00 0.00 42.46 39.88 2uva s ILE 1113CO 0.00 -0.22 1.16 -0.08 0.00 0.00 0.00 174.94 175.80 2uva h GLU 1114N 2.36 -0.36 -5.06 2.79 4.57 -1.86 0.19 114.58 117.21 2uva h GLU 1114Ca -0.39 0.02 -0.43 0.00 -1.18 0.00 0.00 59.36 57.38 2uva h GLU 1114Cb 1.23 0.08 -0.28 0.00 -0.16 0.00 0.00 28.75 29.63 2uva h GLU 1114CO 0.66 -0.24 -0.79 1.52 -1.18 0.00 0.00 179.01 178.97 2uva s TYR 1115N -3.85 1.06 -1.06 0.92 -0.85 -1.26 -1.19 117.35 111.12 2uva s TYR 1115Ca -0.06 -0.24 -0.22 0.00 -0.52 0.00 0.00 57.07 56.03 2uva s TYR 1115Cb 0.01 -0.67 0.02 0.00 0.38 0.00 0.00 41.96 41.70 2uva s TYR 1115CO 0.17 -0.01 1.66 0.12 -1.52 0.00 0.00 175.55 175.97 2uva s PHE 1116N -0.45 2.36 0.00 -3.49 5.36 -1.26 -4.85 117.98 115.64 2uva s PHE 1116Ca 0.03 -0.53 0.00 0.00 -0.96 0.00 0.00 56.93 55.47 2uva s PHE 1116Cb -0.05 -4.50 0.00 0.00 -0.34 0.00 0.00 43.02 38.12 2uva s PHE 1116CO 0.00 -1.81 0.00 0.41 -1.46 0.00 0.00 175.22 172.36 2uva n GLY 1117N 6.52 4.24 3.50 13.12 0.00 -1.26 -3.66 105.19 127.65 2uva n GLY 1117Ca 0.39 -0.99 -0.30 0.00 0.00 0.00 0.00 46.02 45.12 2uva n GLY 1117CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2uva s GLY 1118N 0.00 1.53 0.29 -0.02 0.00 -1.26 -4.85 107.32 103.01 2uva s GLY 1118Ca 0.00 -0.88 0.01 0.00 0.00 0.00 0.00 44.72 43.84 2uva s GLY 1118CO 0.00 0.04 0.49 -1.60 0.00 0.00 0.00 173.10 172.02 2uva s ARG 1119N -5.27 3.50 -0.11 2.90 3.52 -1.26 -5.11 118.95 117.12 2uva s ARG 1119Ca 0.70 -0.38 -0.04 0.00 -0.13 0.00 0.00 55.73 55.88 2uva s ARG 1119Cb -0.11 -2.73 -0.04 0.00 -1.56 0.00 0.00 34.95 30.51 2uva s ARG 1119CO 0.57 0.25 0.06 0.42 -0.81 0.00 0.00 175.30 175.79 2uva s ILE 1120N -2.15 4.80 -0.73 4.11 1.01 -1.26 -5.05 121.20 121.93 2uva s ILE 1120Ca 0.39 -0.06 -0.23 0.00 0.00 0.00 0.00 60.65 60.75 2uva s ILE 1120Cb -0.10 -3.06 0.07 0.00 0.01 0.00 0.00 42.46 39.38 2uva s ILE 1120CO 0.33 0.59 1.06 -0.76 0.00 0.00 0.00 174.94 176.16 2uva s LEU 1121N -0.77 4.24 0.19 2.97 1.43 -1.26 -5.02 118.68 120.47 2uva s LEU 1121Ca 0.12 -1.08 -0.32 0.00 -1.03 0.00 0.00 54.13 51.83 2uva s LEU 1121Cb -0.12 -2.45 -0.11 0.00 0.03 0.00 0.00 46.19 43.55 2uva s LEU 1121CO 0.03 -1.46 1.65 -0.54 0.23 0.00 0.00 176.35 176.26 2uva s LYS 1122N 4.18 4.17 -0.10 1.70 1.02 -1.26 -4.99 119.74 124.46 2uva s LYS 1122Ca 0.27 2.50 -0.15 0.00 0.02 0.00 0.00 55.97 58.60 2uva s LYS 1122Cb -0.13 -3.11 -0.05 0.00 -0.52 0.00 0.00 37.83 34.02 2uva s LYS 1122CO 0.07 -0.68 0.38 0.00 -0.92 0.00 0.00 175.35 174.20 2uva s ALA 1123N 1.11 3.60 -0.05 5.17 0.00 -1.26 -4.95 121.76 125.38 2uva s ALA 1123Ca 0.72 -0.31 0.04 0.00 0.00 0.00 0.00 51.96 52.42 2uva s ALA 1123Cb -0.47 -2.45 -0.25 0.00 0.00 0.00 0.00 23.12 19.96 2uva s ALA 1123CO 0.32 0.21 0.65 1.79 0.00 0.00 0.00 175.76 178.73 2uva h THR 1124N 4.36 0.88 0.00 0.00 1.35 -2.03 -3.40 112.91 114.06 2uva h THR 1124Ca -0.45 -2.66 0.00 0.00 -0.55 0.00 0.00 66.41 62.75 2uva h THR 1124Cb 1.19 2.52 0.00 0.00 -1.73 0.00 0.00 68.15 70.13 2uva h THR 1124CO 0.70 0.68 0.00 0.47 -0.25 0.00 0.00 175.52 177.12 2uva n ASP 1125N -3.25 0.00 -1.13 5.36 8.00 -1.26 -4.98 116.55 119.30 2uva n ASP 1125Ca -0.20 0.38 -0.06 0.00 0.71 0.00 0.00 54.79 55.62 2uva n ASP 1125Cb 1.04 -0.29 0.02 0.00 -0.02 0.00 0.00 41.12 41.87 2uva n ASP 1125CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2uva n GLU 1126N -1.38 -1.66 -4.51 -1.24 1.02 -1.26 -5.05 120.64 106.56 2uva n GLU 1126Ca 0.00 0.21 -0.32 0.00 -0.02 0.00 0.00 57.16 57.03 2uva n GLU 1126Cb 0.00 -3.47 -0.16 0.00 -0.02 0.00 0.00 31.44 27.79 2uva n GLU 1126CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 2uva s GLU 1127N -5.12 2.93 -0.99 3.49 2.02 -1.26 -5.08 118.70 114.70 2uva s GLU 1127Ca 0.12 -0.82 -0.24 0.00 0.02 0.00 0.00 54.97 54.05 2uva s GLU 1127Cb -0.05 -2.42 -0.04 0.00 0.10 0.00 0.00 34.13 31.72 2uva s GLU 1127CO 0.14 -0.07 1.88 -2.14 0.02 0.00 0.00 175.26 175.10 2uva s PRO 1128N 0.96 2.71 -0.83 0.39 0.02 -1.26 -4.90 135.00 132.09 2uva s PRO 1128Ca -0.04 -0.62 -0.06 0.00 0.02 0.00 0.00 61.00 60.30 2uva s PRO 1128Cb -0.15 -5.15 -0.03 0.00 0.02 0.00 0.00 34.50 29.19 2uva s PRO 1128CO -0.05 -3.33 2.90 -0.25 -0.33 0.00 0.00 177.00 175.94 2uva n ASP 1129N 13.30 7.10 -4.44 2.53 8.00 -1.26 -4.91 116.55 136.87 2uva n ASP 1129Ca 0.41 -2.90 -0.30 0.00 0.71 0.00 0.00 54.79 52.71 2uva n ASP 1129Cb 0.47 -1.38 -0.13 0.00 -0.02 0.00 0.00 41.12 40.07 2uva n ASP 1129CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2uva s ILE 1130N -0.32 2.66 0.35 0.53 1.01 -1.26 -5.12 121.20 119.05 2uva s ILE 1130Ca 0.62 -1.27 -0.25 0.00 0.00 0.00 0.00 60.65 59.74 2uva s ILE 1130Cb 0.27 -2.12 -0.09 0.00 0.01 0.00 0.00 42.46 40.53 2uva s ILE 1130CO -0.10 0.31 1.00 -1.81 0.00 0.00 0.00 174.94 174.34 2uva s ASP 1131N -1.50 7.08 0.00 3.58 1.11 -1.26 -3.60 116.67 122.09 2uva s ASP 1131Ca 0.14 1.96 0.00 0.00 0.18 0.00 0.00 52.55 54.83 2uva s ASP 1131Cb -0.10 -2.59 0.00 0.00 1.07 0.00 0.00 42.92 41.30 2uva s ASP 1131CO 0.05 -0.26 0.00 0.61 1.18 0.00 0.00 175.17 176.75 2uva n GLY 1132N 0.50 1.82 3.73 0.21 0.00 -1.26 -3.89 105.19 106.31 2uva n GLY 1132Ca 0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.68 2uva n GLY 1132CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2uva s LEU 1133N 0.00 4.25 0.10 0.99 0.20 -1.24 0.79 118.68 123.78 2uva s LEU 1133Ca 0.00 0.56 0.05 0.00 0.69 0.00 0.00 54.13 55.43 2uva s LEU 1133Cb 0.00 -2.41 -0.04 0.00 -0.43 0.00 0.00 46.19 43.31 2uva s LEU 1133CO 0.00 0.10 -0.01 0.42 -0.29 0.00 0.00 176.35 176.56 2uva s THR 1134N 0.43 3.89 -0.02 3.68 -4.23 -0.35 -4.70 115.64 114.34 2uva s THR 1134Ca 0.18 -1.09 0.02 0.00 -1.18 0.00 0.00 61.69 59.62 2uva s THR 1134Cb -0.13 -2.87 0.00 0.00 1.34 0.00 0.00 72.50 70.84 2uva s THR 1134CO 0.05 0.08 -0.06 0.00 -0.54 0.00 0.00 174.62 174.15 2uva s ALA 1135N -1.36 0.61 0.07 3.99 0.00 -1.26 -2.40 121.76 121.41 2uva s ALA 1135Ca 0.25 -0.21 -0.11 0.00 0.00 0.00 0.00 51.96 51.89 2uva s ALA 1135Cb -0.11 -0.24 0.01 0.00 0.00 0.00 0.00 23.12 22.78 2uva s ALA 1135CO 0.18 0.09 0.24 0.45 0.00 0.00 0.00 175.76 176.72 2uva s SER 1136N 0.21 -0.00 -0.28 0.00 0.15 -0.32 -5.00 113.70 108.45 2uva s SER 1136Ca -0.02 -0.43 -0.24 0.00 0.70 0.00 0.00 55.95 55.96 2uva s SER 1136Cb -0.07 0.35 0.12 0.00 -1.71 0.00 0.00 66.02 64.71 2uva s SER 1136CO -0.00 -0.67 0.98 0.00 1.20 0.00 0.00 173.24 174.75 2uva s ARG 1137N -3.22 0.53 0.00 5.44 1.70 -1.26 0.39 118.95 122.53 2uva s ARG 1137Ca -0.00 0.67 0.00 0.00 -0.47 0.00 0.00 55.73 55.93 2uva s ARG 1137Cb 0.02 0.24 0.00 0.00 -0.57 0.00 0.00 34.95 34.64 2uva s ARG 1137CO -0.08 -0.07 0.00 -0.25 -1.08 0.00 0.00 175.30 173.83 2uva n ASP 1138N 2.50 0.00 -0.92 -2.89 8.00 -0.49 -4.99 116.55 117.77 2uva n ASP 1138Ca -0.14 0.00 0.12 0.00 0.71 0.00 0.00 54.79 55.49 2uva n ASP 1138Cb 0.56 0.00 0.12 0.00 -0.02 0.00 0.00 41.12 41.78 2uva n ASP 1138CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2uva n ALA 1139N -3.00 2.50 -0.10 2.24 0.00 -1.26 -4.44 120.51 116.45 2uva n ALA 1139Ca 0.00 -0.67 -0.13 0.00 0.00 0.00 0.00 53.44 52.64 2uva n ALA 1139Cb 0.00 -0.83 -0.10 0.00 0.00 0.00 0.00 19.45 18.52 2uva n ALA 1139CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2uva n ASN 1140N 1.24 2.28 -3.71 0.00 3.02 -1.26 -4.69 115.26 112.14 2uva n ASN 1140Ca 0.14 -0.09 -0.11 0.00 -0.03 0.00 0.00 54.58 54.49 2uva n ASN 1140Cb 0.58 -0.14 -0.11 0.00 -0.61 0.00 0.00 39.78 39.51 2uva n ASN 1140CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 2uva s LYS 1141N -2.39 0.39 -0.30 3.52 2.20 -1.26 -0.07 119.74 121.83 2uva s LYS 1141Ca -0.24 0.70 -0.12 0.00 -0.36 0.00 0.00 55.97 55.96 2uva s LYS 1141Cb 0.06 0.03 -0.04 0.00 -1.51 0.00 0.00 37.83 36.38 2uva s LYS 1141CO 0.48 -0.13 0.22 0.42 -0.36 0.00 0.00 175.35 175.98 2uva s ILE 1142N 1.07 5.29 -0.28 5.43 1.01 -1.00 -1.40 121.20 131.33 2uva s ILE 1142Ca -0.07 0.10 -0.12 0.00 0.00 0.00 0.00 60.65 60.55 2uva s ILE 1142Cb -0.07 -3.59 -0.05 0.00 0.01 0.00 0.00 42.46 38.76 2uva s ILE 1142CO -0.09 0.17 0.24 -0.55 0.00 0.00 0.00 174.94 174.72 2uva s SER 1143N 1.74 6.09 -0.21 3.58 0.15 0.16 -1.73 113.70 123.49 2uva s SER 1143Ca 0.07 0.07 0.02 0.00 0.70 0.00 0.00 55.95 56.81 2uva s SER 1143Cb -0.16 -2.15 0.04 0.00 -1.71 0.00 0.00 66.02 62.04 2uva s SER 1143CO 0.11 -0.09 -0.15 -0.31 1.20 0.00 0.00 173.24 174.00 2uva s TYR 1144N 1.85 2.87 -0.14 3.44 2.02 -0.16 -1.17 117.35 126.06 2uva s TYR 1144Ca 0.09 -1.86 0.01 0.00 -0.37 0.00 0.00 57.07 54.94 2uva s TYR 1144Cb -0.16 -1.86 0.02 0.00 -0.40 0.00 0.00 41.96 39.55 2uva s TYR 1144CO 0.11 -0.82 -0.16 0.50 -1.57 0.00 0.00 175.55 173.61 2uva s ARG 1145N 1.25 2.43 0.17 -0.62 3.52 -1.01 -0.19 118.95 124.50 2uva s ARG 1145Ca -0.01 -0.62 -0.16 0.00 -0.13 0.00 0.00 55.73 54.80 2uva s ARG 1145Cb -0.16 -2.11 -0.07 0.00 -1.56 0.00 0.00 34.95 31.04 2uva s ARG 1145CO -0.09 -0.14 0.61 -0.51 -0.81 0.00 0.00 175.30 174.35 2uva s LEU 1146N 1.20 4.35 0.36 -0.88 1.43 -0.21 -1.21 118.68 123.72 2uva s LEU 1146Ca -0.01 1.20 -0.28 0.00 -1.03 0.00 0.00 54.13 54.01 2uva s LEU 1146Cb -0.14 -3.35 -0.12 0.00 0.03 0.00 0.00 46.19 42.61 2uva s LEU 1146CO -0.06 0.09 1.38 -0.24 0.23 0.00 0.00 176.35 177.74 2uva n SER 1147N 0.82 3.22 -1.45 2.29 2.88 0.24 -3.34 113.62 118.28 2uva n SER 1147Ca -0.05 1.22 0.06 0.00 -1.33 0.00 0.00 58.87 58.78 2uva n SER 1147Cb 0.51 -1.55 0.30 0.00 -0.75 0.00 0.00 64.21 62.73 2uva n SER 1147CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 2uva n ASN 1148N 0.64 4.26 -4.72 -3.46 2.85 -1.26 -1.49 115.26 112.08 2uva n ASN 1148Ca 0.03 -2.53 -0.42 0.00 -0.11 0.00 0.00 54.58 51.55 2uva n ASN 1148Cb 0.37 -0.58 -0.03 0.00 1.24 0.00 0.00 39.78 40.79 2uva n ASN 1148CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2uva s ALA 1149N -2.07 3.63 0.60 5.20 0.00 -1.26 -4.83 121.76 123.02 2uva s ALA 1149Ca 0.41 1.19 0.29 0.00 0.00 0.00 0.00 51.96 53.85 2uva s ALA 1149Cb 0.29 -3.55 1.62 0.00 0.00 0.00 0.00 23.12 21.47 2uva s ALA 1149CO 0.16 -0.65 2.03 -1.35 0.00 0.00 0.00 175.76 175.95 2uva h PRO 1150N 6.53 0.00 -7.13 0.00 0.11 -2.01 -3.43 132.00 126.07 2uva h PRO 1150Ca -0.43 0.00 -0.53 0.00 0.11 0.00 0.00 66.00 65.15 2uva h PRO 1150Cb 1.21 0.00 0.13 0.00 0.11 0.00 0.00 31.00 32.45 2uva h PRO 1150CO 0.86 0.00 0.44 -1.54 -0.21 0.00 0.00 178.00 177.55 2uva s SER 1151N -5.48 4.78 -0.83 -2.05 1.04 -1.26 -4.96 113.70 104.95 2uva s SER 1151Ca -0.04 2.38 -0.17 0.00 0.48 0.00 0.00 55.95 58.60 2uva s SER 1151Cb 0.15 -2.59 0.16 0.00 0.10 0.00 0.00 66.02 63.84 2uva s SER 1151CO 0.52 -1.87 0.90 0.00 0.98 0.00 0.00 173.24 173.78 2uva s ALA 1152N -1.75 3.67 -0.22 5.32 0.00 -1.26 -4.96 121.76 122.55 2uva s ALA 1152Ca 0.76 -2.90 -0.08 0.00 0.00 0.00 0.00 51.96 49.74 2uva s ALA 1152Cb -0.30 -3.74 0.10 0.00 0.00 0.00 0.00 23.12 19.18 2uva s ALA 1152CO 0.39 -2.58 0.49 -0.80 0.00 0.00 0.00 175.76 173.25 2uva s ASN 1153N 3.03 -0.54 0.11 0.00 0.02 -1.26 -5.17 114.94 111.13 2uva s ASN 1153Ca 0.23 1.15 -0.18 0.00 -1.02 0.00 0.00 52.86 53.05 2uva s ASN 1153Cb -0.10 1.52 0.04 0.00 0.02 0.00 0.00 41.25 42.73 2uva s ASN 1153CO -0.06 -0.23 0.43 -0.76 0.02 0.00 0.00 177.10 176.50 2uva s LEU 1154N 2.49 0.26 1.18 0.60 1.43 -1.26 -4.34 118.68 119.05 2uva s LEU 1154Ca -0.04 -0.20 -0.19 0.00 -1.03 0.00 0.00 54.13 52.67 2uva s LEU 1154Cb -0.11 1.93 0.28 0.00 0.03 0.00 0.00 46.19 48.31 2uva s LEU 1154CO -0.15 -0.83 1.12 -2.16 0.23 0.00 0.00 176.35 174.56 2uva s PRO 1155N -3.50 -1.07 1.32 1.29 0.04 -1.25 -4.96 135.00 126.88 2uva s PRO 1155Ca 0.01 -0.05 -0.18 0.00 0.04 0.00 0.00 61.00 60.82 2uva s PRO 1155Cb 0.01 -1.61 0.34 0.00 0.04 0.00 0.00 34.50 33.28 2uva s PRO 1155CO -0.10 -3.61 0.96 -0.51 0.04 0.00 0.00 177.00 173.78 2uva s ASP 1156N -3.90 -0.32 0.16 6.66 1.11 -1.26 -4.83 116.67 114.29 2uva s ASP 1156Ca 0.71 1.21 0.24 0.00 0.18 0.00 0.00 52.55 54.89 2uva s ASP 1156Cb -0.10 -1.82 0.39 0.00 1.07 0.00 0.00 42.92 42.46 2uva s ASP 1156CO 0.56 -4.96 1.39 0.58 1.18 0.00 0.00 175.17 173.92 2uva h VAL 1157N -3.14 0.00 0.00 -1.27 2.07 -1.95 -3.19 116.25 108.77 2uva h VAL 1157Ca -0.54 -0.57 -0.08 0.00 0.82 0.00 0.00 66.70 66.33 2uva h VAL 1157Cb 1.34 1.24 -0.01 0.00 -1.52 0.00 0.00 31.29 32.34 2uva h VAL 1157CO 0.39 0.00 -0.54 0.44 0.02 0.00 0.00 177.57 177.88 2uva h ASP 1158N 0.00 0.00 -0.76 0.57 5.19 -1.96 -3.22 116.42 116.23 2uva h ASP 1158Ca 0.00 -0.50 0.05 0.00 -0.62 0.00 0.00 57.03 55.96 2uva h ASP 1158Cb 0.78 0.00 -0.05 0.00 0.18 0.00 0.00 39.33 40.24 2uva h ASP 1158CO 0.00 1.06 0.47 0.28 -3.12 0.00 0.00 179.24 177.93 2uva h SER 1159N -1.00 0.73 0.15 6.45 0.02 -1.93 -1.98 113.55 115.99 2uva h SER 1159Ca -0.13 0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 60.81 2uva h SER 1159Cb 0.87 -0.14 -0.00 0.00 0.14 0.00 0.00 62.40 63.27 2uva h SER 1159CO -0.08 0.48 -0.10 0.15 -1.14 0.00 0.00 176.83 176.14 2uva h PHE 1160N 0.87 0.00 -0.00 3.45 3.04 -1.72 -1.99 116.94 120.59 2uva h PHE 1160Ca 0.33 0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.28 2uva h PHE 1160Cb 0.12 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.63 2uva h PHE 1160CO -0.05 0.10 -0.54 -1.33 -2.02 0.00 0.00 178.31 174.48 2uva n MET 1161N -4.15 0.19 0.02 1.11 2.81 -0.87 -3.65 117.12 112.59 2uva n MET 1161Ca -0.03 -0.12 -0.19 0.00 -1.81 0.00 0.00 57.70 55.55 2uva n MET 1161Cb 0.19 -1.50 -0.10 0.00 -0.71 0.00 0.00 33.22 31.10 2uva n MET 1161CO 0.00 0.00 0.00 1.96 1.51 0.00 0.00 175.97 179.44 2uva h GLN 1162N 0.30 0.61 0.00 0.03 1.08 -0.66 -3.21 115.11 113.26 2uva h GLN 1162Ca 0.00 -0.62 0.00 0.00 -1.45 0.00 0.00 58.65 56.58 2uva h GLN 1162Cb 0.51 0.17 0.00 0.00 -0.05 0.00 0.00 27.48 28.11 2uva h GLN 1162CO 0.00 1.23 0.00 -0.11 -0.95 0.00 0.00 178.83 179.00 2uva n LEU 1163N -4.01 0.00 -0.00 1.46 7.94 -1.06 -2.14 117.00 119.19 2uva n LEU 1163Ca -0.10 0.12 0.06 0.00 -1.11 0.00 0.00 56.01 54.97 2uva n LEU 1163Cb 0.78 -0.12 -0.07 0.00 0.53 0.00 0.00 43.42 44.54 2uva n LEU 1163CO 0.52 -0.01 -0.14 -0.38 -1.11 0.00 0.00 177.39 176.27 2uva n ILE 1164N -1.12 0.00 0.07 1.96 5.41 -1.24 -4.55 119.36 119.89 2uva n ILE 1164Ca 0.18 -0.24 -0.22 0.00 1.00 0.00 0.00 62.75 63.47 2uva n ILE 1164Cb 0.15 0.86 -0.15 0.00 -0.71 0.00 0.00 39.64 39.79 2uva n ILE 1164CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2uva h ALA 1165N 1.53 0.19 -0.66 -1.39 0.00 -1.43 -3.43 119.26 114.08 2uva h ALA 1165Ca 0.00 -1.17 0.08 0.00 0.00 0.00 0.00 54.91 53.82 2uva h ALA 1165Cb 0.32 0.47 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 2uva h ALA 1165CO 0.00 1.06 -0.11 0.41 0.00 0.00 0.00 179.25 180.61 2uva n GLY 1166N 1.86 -1.47 0.11 0.00 0.00 -1.07 -3.71 105.19 100.91 2uva n GLY 1166Ca -0.25 -1.46 0.06 0.00 0.00 0.00 0.00 46.02 44.37 2uva n GLY 1166CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2uva h ASN 1167N -0.27 0.00 -2.86 1.61 4.21 -1.97 -3.46 115.58 112.84 2uva h ASN 1167Ca 0.00 0.00 -0.54 0.00 1.21 0.00 0.00 56.30 56.98 2uva h ASN 1167Cb 0.27 0.00 0.01 0.00 -1.12 0.00 0.00 38.32 37.48 2uva h ASN 1167CO 0.00 0.29 0.86 -0.94 -1.29 0.00 0.00 177.43 176.35 2uva s SER 1168N -5.67 6.78 -1.12 5.81 1.04 -1.26 -4.90 113.70 114.37 2uva s SER 1168Ca -0.01 2.25 -0.23 0.00 0.48 0.00 0.00 55.95 58.43 2uva s SER 1168Cb 0.09 -2.57 -0.10 0.00 0.10 0.00 0.00 66.02 63.55 2uva s SER 1168CO 0.79 -0.76 1.97 -0.31 0.98 0.00 0.00 173.24 175.91 2uva s TYR 1169N 2.27 1.83 0.44 5.02 1.51 -1.26 -4.58 117.35 122.58 2uva s TYR 1169Ca 0.67 0.73 0.03 0.00 -1.01 0.00 0.00 57.07 57.49 2uva s TYR 1169Cb -0.34 -3.92 0.03 0.00 -0.11 0.00 0.00 41.96 37.62 2uva s TYR 1169CO 0.29 -1.24 0.26 -1.13 -1.11 0.00 0.00 175.55 172.62 2uva n SER 1170N 15.01 2.58 0.05 2.29 3.41 -1.26 -4.55 113.62 131.14 2uva n SER 1170Ca 0.44 -2.59 -0.05 0.00 -0.26 0.00 0.00 58.87 56.40 2uva n SER 1170Cb 0.47 0.03 0.15 0.00 -0.26 0.00 0.00 64.21 64.60 2uva n SER 1170CO 0.00 0.00 0.00 4.11 -0.16 0.00 0.00 175.04 178.99 2uva h TRP 1171N 0.76 0.45 0.00 7.33 5.08 -1.95 -2.75 115.95 124.86 2uva h TRP 1171Ca -0.30 -0.14 -0.05 0.00 1.08 0.00 0.00 58.89 59.48 2uva h TRP 1171Cb 1.03 -0.09 -0.01 0.00 -3.00 0.00 0.00 29.16 27.09 2uva h TRP 1171CO 0.00 0.77 -0.25 0.07 -1.28 0.00 0.00 178.44 177.75 2uva h ARG 1172N 0.30 0.00 0.03 0.12 0.11 -1.93 -0.82 114.38 112.19 2uva h ARG 1172Ca 0.02 0.00 -0.24 0.00 0.10 0.00 0.00 59.98 59.86 2uva h ARG 1172Cb 0.94 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.03 2uva h ARG 1172CO 0.08 0.25 -1.01 1.25 0.10 0.00 0.00 179.97 180.64 2uva h HIS 1173N 0.00 0.59 0.00 4.08 2.76 -1.62 -3.24 115.15 117.73 2uva h HIS 1173Ca -0.00 -0.35 -0.10 0.00 -2.20 0.00 0.00 60.37 57.72 2uva h HIS 1173Cb 0.57 -0.06 -0.01 0.00 1.55 0.00 0.00 27.41 29.46 2uva h HIS 1173CO 0.00 1.18 -0.49 0.00 -1.30 0.00 0.00 177.93 177.32 2uva h ALA 1174N 0.70 0.83 0.00 5.26 0.00 -1.13 -2.51 119.26 122.41 2uva h ALA 1174Ca -0.09 -0.45 -0.10 0.00 0.00 0.00 0.00 54.91 54.27 2uva h ALA 1174Cb 1.67 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.36 2uva h ALA 1174CO 0.17 0.61 -0.48 0.52 0.00 0.00 0.00 179.25 180.07 2uva h MET 1175N 0.00 0.00 -0.42 0.00 2.07 -1.23 -2.71 114.93 112.64 2uva h MET 1175Ca -0.00 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.63 2uva h MET 1175Cb 1.14 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.87 2uva h MET 1175CO 0.06 0.48 0.00 1.19 1.07 0.00 0.00 176.91 179.72 2uva n PHE 1176N -3.87 0.74 -0.01 -0.22 3.01 -1.19 -4.65 117.46 111.27 2uva n PHE 1176Ca -0.01 -0.58 -0.03 0.00 1.01 0.00 0.00 57.45 57.84 2uva n PHE 1176Cb 0.51 -0.10 -0.01 0.00 -0.01 0.00 0.00 39.48 39.87 2uva n PHE 1176CO 0.00 0.00 0.00 2.41 1.01 0.00 0.00 176.76 180.18 2uva n THR 1177N 0.56 1.02 -2.10 4.37 -1.04 -0.95 -4.73 114.28 111.42 2uva n THR 1177Ca 0.17 0.28 -0.42 0.00 -2.04 0.00 0.00 64.05 62.03 2uva n THR 1177Cb 0.59 -1.74 -0.03 0.00 -1.82 0.00 0.00 70.33 67.34 2uva n THR 1177CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 2uva s THR 1178N -2.04 3.73 -1.14 12.58 2.01 -1.03 -4.85 115.64 124.89 2uva s THR 1178Ca -0.09 0.87 0.28 0.00 0.31 0.00 0.00 61.69 63.06 2uva s THR 1178Cb 0.01 -3.59 0.26 0.00 0.01 0.00 0.00 72.50 69.20 2uva s THR 1178CO 0.14 -0.10 1.84 -1.84 -0.69 0.00 0.00 174.62 173.96 2uva n GLU 1179N 7.10 0.15 -3.54 4.92 0.00 -1.26 -4.67 120.64 123.35 2uva n GLU 1179Ca 0.17 -0.03 -0.42 0.00 0.00 0.00 0.00 57.16 56.88 2uva n GLU 1179Cb 0.43 -1.50 -0.10 0.00 0.00 0.00 0.00 31.44 30.28 2uva n GLU 1179CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.13 177.21 2uva s VAL 1180N -2.87 4.67 -0.27 3.84 1.01 -1.26 0.15 120.40 125.66 2uva s VAL 1180Ca 0.17 -1.09 -0.16 0.00 0.00 0.00 0.00 61.98 60.91 2uva s VAL 1180Cb 0.19 -3.74 -0.03 0.00 0.00 0.00 0.00 36.38 32.80 2uva s VAL 1180CO 0.55 -0.42 0.41 -0.36 0.00 0.00 0.00 175.10 175.27 2uva s PHE 1181N 1.54 3.25 0.11 5.22 2.99 -0.57 -4.78 117.98 125.74 2uva s PHE 1181Ca 0.03 0.43 -0.30 0.00 0.00 0.00 0.00 56.93 57.09 2uva s PHE 1181Cb -0.22 -2.62 -0.07 0.00 0.00 0.00 0.00 43.02 40.11 2uva s PHE 1181CO 0.05 -0.26 1.20 0.08 -0.00 0.00 0.00 175.22 176.30 2uva s VAL 1182N 2.13 3.84 -0.27 -0.44 1.01 -1.15 -2.31 120.40 123.21 2uva s VAL 1182Ca 0.16 1.40 -0.02 0.00 0.00 0.00 0.00 61.98 63.52 2uva s VAL 1182Cb -0.16 -3.89 0.09 0.00 0.00 0.00 0.00 36.38 32.42 2uva s VAL 1182CO 0.10 0.15 0.09 0.00 0.00 0.00 0.00 175.10 175.44 2uva s GLN 1183N 0.59 0.56 6.35 2.72 -2.07 -0.20 -1.46 119.66 126.16 2uva s GLN 1183Ca 0.57 -0.74 0.00 0.00 -1.82 0.00 0.00 55.36 53.36 2uva s GLN 1183Cb -0.31 -1.82 0.00 0.00 -1.09 0.00 0.00 33.01 29.79 2uva s GLN 1183CO 0.32 -0.89 0.00 0.41 -1.32 0.00 0.00 175.29 173.81 2uva n GLY 1184N 5.01 1.81 0.21 2.60 0.00 -1.26 -1.95 105.19 111.61 2uva n GLY 1184Ca -0.05 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.06 2uva n GLY 1184CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2uva n HIS 1185N 2.29 0.00 -4.25 1.61 8.25 -1.26 -4.81 115.22 117.05 2uva n HIS 1185Ca 0.00 -1.04 -0.31 0.00 -0.26 0.00 0.00 57.72 56.11 2uva n HIS 1185Cb 0.00 -0.16 -0.09 0.00 1.12 0.00 0.00 29.99 30.85 2uva n HIS 1185CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 2uva s ARG 1186N -2.78 2.45 0.60 -0.41 1.81 -0.82 -4.51 118.95 115.30 2uva s ARG 1186Ca 0.32 -0.84 -0.06 0.00 -1.72 0.00 0.00 55.73 53.42 2uva s ARG 1186Cb 0.29 -2.48 0.01 0.00 -0.45 0.00 0.00 34.95 32.32 2uva s ARG 1186CO 0.01 0.55 0.92 -0.06 -0.68 0.00 0.00 175.30 176.04 2uva s PHE 1187N -1.19 3.26 -0.09 -0.53 0.40 0.46 -1.03 117.98 119.27 2uva s PHE 1187Ca 0.22 0.68 -0.24 0.00 -0.60 0.00 0.00 56.93 56.99 2uva s PHE 1187Cb -0.11 -2.77 0.05 0.00 0.51 0.00 0.00 43.02 40.70 2uva s PHE 1187CO 0.14 -0.86 0.55 -1.14 0.70 0.00 0.00 175.22 174.61 2uva s GLN 1188N -5.03 0.85 0.13 0.44 0.74 -0.98 -4.61 119.66 111.19 2uva s GLN 1188Ca 0.54 0.29 -0.31 0.00 0.05 0.00 0.00 55.36 55.93 2uva s GLN 1188Cb -0.11 0.40 -0.08 0.00 1.10 0.00 0.00 33.01 34.32 2uva s GLN 1188CO 0.46 -0.22 1.35 0.99 -0.55 0.00 0.00 175.29 177.31 2uva s THR 1189N -0.81 3.37 -0.55 -0.34 2.01 -1.26 -1.51 115.64 116.56 2uva s THR 1189Ca -0.09 1.01 -0.30 0.00 0.31 0.00 0.00 61.69 62.63 2uva s THR 1189Cb -0.03 -3.65 -0.11 0.00 0.01 0.00 0.00 72.50 68.72 2uva s THR 1189CO 0.06 0.10 2.41 -3.20 -0.69 0.00 0.00 174.62 173.29 2uva n ASN 1190N 3.65 1.88 0.34 3.53 5.15 0.39 -4.80 115.26 125.39 2uva n ASN 1190Ca 0.10 -0.07 0.21 0.00 -0.60 0.00 0.00 54.58 54.22 2uva n ASN 1190Cb 0.43 -1.35 1.11 0.00 -0.53 0.00 0.00 39.78 39.43 2uva n ASN 1190CO 0.00 0.00 0.00 -0.65 1.40 0.00 0.00 177.26 178.01 2uva h PRO 1191N 15.71 0.00 0.00 1.20 0.11 -1.89 -0.23 132.00 146.89 2uva h PRO 1191Ca -0.22 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.89 2uva h PRO 1191Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 2uva h PRO 1191CO 1.16 0.00 0.00 -0.07 -0.21 0.00 0.00 178.00 178.88 2uva h LEU 1192N 0.00 0.00 -0.47 2.35 3.38 -1.90 -1.31 115.31 117.36 2uva h LEU 1192Ca 0.00 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.83 2uva h LEU 1192Cb 0.18 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 2uva h LEU 1192CO 0.00 0.00 -0.27 0.11 0.09 0.00 0.00 178.44 178.37 2uva h LYS 1193N 0.00 0.98 0.19 1.13 1.57 -1.41 -0.63 116.57 118.40 2uva h LYS 1193Ca 0.00 -0.45 -0.33 0.00 -1.87 0.00 0.00 60.65 58.01 2uva h LYS 1193Cb 0.37 -0.02 0.02 0.00 0.08 0.00 0.00 32.23 32.68 2uva h LYS 1193CO 0.00 1.12 -1.54 0.00 -0.57 0.00 0.00 179.45 178.46 2uva h ARG 1194N 0.83 0.40 -0.05 3.15 3.08 -1.63 -3.12 114.38 117.04 2uva h ARG 1194Ca 0.09 -0.69 -0.01 0.00 0.07 0.00 0.00 59.98 59.45 2uva h ARG 1194Cb 0.86 0.26 -0.00 0.00 0.08 0.00 0.00 29.97 31.16 2uva h ARG 1194CO 0.08 1.31 0.01 -0.07 -1.07 0.00 0.00 179.97 180.23 2uva h LEU 1195N 0.11 0.08 -2.86 3.04 3.38 -1.29 -3.21 115.31 114.55 2uva h LEU 1195Ca -0.26 -0.23 -0.07 0.00 0.09 0.00 0.00 57.88 57.41 2uva h LEU 1195Cb 2.09 -0.02 -0.04 0.00 0.09 0.00 0.00 40.66 42.78 2uva h LEU 1195CO 0.22 0.29 0.09 0.49 0.09 0.00 0.00 178.44 179.61 2uva n PHE 1196N -4.93 1.55 -2.60 1.13 3.01 -0.25 -4.91 117.46 110.48 2uva n PHE 1196Ca -0.07 -0.67 -0.41 0.00 1.01 0.00 0.00 57.45 57.31 2uva n PHE 1196Cb 0.14 -0.45 -0.04 0.00 -0.01 0.00 0.00 39.48 39.12 2uva n PHE 1196CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2uva s ALA 1197N -2.21 3.31 0.25 4.37 0.00 -1.18 -4.84 121.76 121.46 2uva s ALA 1197Ca 0.37 0.71 -0.27 0.00 0.00 0.00 0.00 51.96 52.77 2uva s ALA 1197Cb 0.29 -3.34 -0.16 0.00 0.00 0.00 0.00 23.12 19.92 2uva s ALA 1197CO 0.10 -0.18 0.61 -2.30 0.00 0.00 0.00 175.76 173.99 2uva n PRO 1198N 2.89 0.36 -4.13 0.00 -0.02 -1.26 -5.00 135.00 127.84 2uva n PRO 1198Ca 0.04 0.13 -0.09 0.00 -2.02 0.00 0.00 63.50 61.55 2uva n PRO 1198Cb 0.48 -1.24 -0.10 0.00 -0.02 0.00 0.00 33.50 32.62 2uva n PRO 1198CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 2uva s THR 1199N -1.10 0.51 -0.87 3.45 2.01 -1.26 -5.07 115.64 113.31 2uva s THR 1199Ca 0.62 -1.81 -0.25 0.00 0.31 0.00 0.00 61.69 60.56 2uva s THR 1199Cb -0.83 -1.53 -0.06 0.00 0.01 0.00 0.00 72.50 70.09 2uva s THR 1199CO 0.58 -0.88 2.03 -0.13 -0.69 0.00 0.00 174.62 175.53 2uva s ARG 1200N -3.66 2.39 0.00 4.92 3.00 -1.26 -3.60 118.95 120.73 2uva s ARG 1200Ca 0.08 -0.11 0.00 0.00 0.00 0.00 0.00 55.73 55.70 2uva s ARG 1200Cb 0.05 -4.98 0.00 0.00 0.00 0.00 0.00 34.95 30.01 2uva s ARG 1200CO -0.06 -3.54 0.00 0.41 0.00 0.00 0.00 175.30 172.11 2uva n GLY 1201N 6.80 0.52 3.93 -3.53 0.00 -0.55 -4.66 105.19 107.69 2uva n GLY 1201Ca 0.41 -0.38 -0.27 0.00 0.00 0.00 0.00 46.02 45.78 2uva n GLY 1201CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2uva s MET 1202N -2.86 3.49 -0.08 1.61 0.23 -1.23 -4.08 119.30 116.38 2uva s MET 1202Ca 0.00 -0.42 0.03 0.00 -1.03 0.00 0.00 55.69 54.27 2uva s MET 1202Cb 0.00 -2.89 0.01 0.00 -1.53 0.00 0.00 34.83 30.42 2uva s MET 1202CO 0.00 0.45 -0.16 -0.47 -2.03 0.00 0.00 175.02 172.81 2uva s TYR 1203N -1.80 1.84 -0.13 3.16 5.04 0.91 -1.04 117.35 125.32 2uva s TYR 1203Ca 0.37 -0.70 -0.01 0.00 -2.44 0.00 0.00 57.07 54.29 2uva s TYR 1203Cb -0.11 -1.29 0.04 0.00 0.35 0.00 0.00 41.96 40.95 2uva s TYR 1203CO 0.29 -0.32 -0.03 0.08 -1.34 0.00 0.00 175.55 174.24 2uva s VAL 1204N 0.51 0.76 -0.00 3.14 1.01 0.74 -0.47 120.40 126.08 2uva s VAL 1204Ca -0.15 -0.30 0.04 0.00 0.00 0.00 0.00 61.98 61.57 2uva s VAL 1204Cb -0.16 -0.95 -0.03 0.00 0.00 0.00 0.00 36.38 35.24 2uva s VAL 1204CO 0.05 0.17 -0.10 -1.61 0.00 0.00 0.00 175.10 173.61 2uva s GLU 1205N 1.80 2.46 -0.47 2.72 2.02 -0.44 -0.98 118.70 125.81 2uva s GLU 1205Ca 0.03 -0.76 0.03 0.00 0.02 0.00 0.00 54.97 54.29 2uva s GLU 1205Cb -0.14 -2.43 0.13 0.00 0.10 0.00 0.00 34.13 31.79 2uva s GLU 1205CO -0.07 0.60 0.23 0.42 0.02 0.00 0.00 175.26 176.46 2uva s ILE 1206N -0.93 2.01 0.34 -1.63 1.01 -0.70 -1.60 121.20 119.69 2uva s ILE 1206Ca 0.15 -2.86 -0.27 0.00 0.00 0.00 0.00 60.65 57.67 2uva s ILE 1206Cb -0.11 -2.41 -0.09 0.00 0.01 0.00 0.00 42.46 39.86 2uva s ILE 1206CO 0.06 -0.82 1.10 -0.89 0.00 0.00 0.00 174.94 174.39 2uva s THR 1207N 0.14 3.46 -1.22 2.92 2.01 0.44 -2.39 115.64 121.00 2uva s THR 1207Ca 0.16 1.33 -0.20 0.00 0.31 0.00 0.00 61.69 63.29 2uva s THR 1207Cb -0.25 -3.79 0.01 0.00 0.01 0.00 0.00 72.50 68.48 2uva s THR 1207CO -0.01 0.21 0.67 0.59 -0.69 0.00 0.00 174.62 175.39 2uva n ASN 1208N 0.64 -3.94 -0.06 3.53 3.02 0.90 -1.77 115.26 117.57 2uva n ASN 1208Ca 0.02 -1.10 -0.09 0.00 -0.03 0.00 0.00 54.58 53.38 2uva n ASN 1208Cb 0.46 -2.81 -0.02 0.00 -0.61 0.00 0.00 39.78 36.80 2uva n ASN 1208CO 0.00 0.00 0.00 -0.65 -2.62 0.00 0.00 177.26 173.99 2uva h PRO 1209N -2.08 -0.29 -0.06 3.52 0.11 -1.76 -2.56 132.00 128.88 2uva h PRO 1209Ca -0.67 0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.46 2uva h PRO 1209Cb 1.38 0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.55 2uva h PRO 1209CO 0.52 -0.19 0.00 -0.25 -0.21 0.00 0.00 178.00 177.87 2uva n ASP 1210N -5.41 1.80 -4.33 -2.05 10.43 -1.26 -4.57 116.55 111.16 2uva n ASP 1210Ca -0.01 -1.62 -0.47 0.00 2.57 0.00 0.00 54.79 55.26 2uva n ASP 1210Cb 0.32 -0.03 -0.02 0.00 1.84 0.00 0.00 41.12 43.24 2uva n ASP 1210CO 0.00 0.00 0.00 -1.81 -1.07 0.00 0.00 177.20 174.32 2uva s ASP 1211N -1.91 6.83 0.06 -2.24 1.11 -0.96 -4.99 116.67 114.56 2uva s ASP 1211Ca 0.36 -2.79 -0.12 0.00 0.18 0.00 0.00 52.55 50.18 2uva s ASP 1211Cb 0.20 -2.21 -0.03 0.00 1.07 0.00 0.00 42.92 41.95 2uva s ASP 1211CO 0.32 -0.55 1.20 1.55 1.18 0.00 0.00 175.17 178.87 2uva h PRO 1212N 7.66 -0.05 0.00 8.23 0.13 -1.80 -0.75 132.00 145.42 2uva h PRO 1212Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 2uva h PRO 1212Cb 1.02 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.16 2uva h PRO 1212CO 0.79 -0.03 0.02 0.00 -0.23 0.00 0.00 178.00 178.54 2uva h ALA 1213N -0.58 1.01 -0.11 -0.56 0.00 -1.94 -1.85 119.26 115.23 2uva h ALA 1213Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2uva h ALA 1213Cb 0.18 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.97 2uva h ALA 1213CO -0.30 -0.01 0.00 1.63 0.00 0.00 0.00 179.25 180.56 2uva n LYS 1214N -2.35 1.82 -2.54 0.00 5.02 -0.36 -4.68 118.16 115.07 2uva n LYS 1214Ca -0.02 -1.43 -0.40 0.00 -2.02 0.00 0.00 58.31 54.44 2uva n LYS 1214Cb 0.06 -1.12 -0.05 0.00 -0.02 0.00 0.00 35.03 33.90 2uva n LYS 1214CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 2uva s THR 1215N -0.81 3.66 -0.07 -0.18 2.01 -0.70 -4.58 115.64 114.98 2uva s THR 1215Ca 0.09 1.63 0.00 0.00 0.31 0.00 0.00 61.69 63.73 2uva s THR 1215Cb 0.05 -4.04 0.02 0.00 0.01 0.00 0.00 72.50 68.55 2uva s THR 1215CO 0.07 0.37 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.63 2uva s VAL 1216N -1.02 0.70 -0.17 3.82 1.01 -0.73 -4.53 120.40 119.48 2uva s VAL 1216Ca 0.44 -0.16 -0.03 0.00 0.00 0.00 0.00 61.98 62.24 2uva s VAL 1216Cb -0.30 -0.73 -0.02 0.00 0.00 0.00 0.00 36.38 35.33 2uva s VAL 1216CO 0.38 0.28 -0.07 -0.63 0.00 0.00 0.00 175.10 175.07 2uva s ILE 1217N 1.25 3.44 0.08 2.22 1.01 -0.68 -0.42 121.20 128.09 2uva s ILE 1217Ca -0.05 -0.50 0.04 0.00 0.00 0.00 0.00 60.65 60.13 2uva s ILE 1217Cb -0.14 -2.51 -0.03 0.00 0.01 0.00 0.00 42.46 39.79 2uva s ILE 1217CO -0.02 0.48 -0.10 -0.94 0.00 0.00 0.00 174.94 174.35 2uva s SER 1218N 0.78 1.34 0.01 3.58 1.04 -0.63 -0.80 113.70 119.01 2uva s SER 1218Ca -0.03 -0.70 0.06 0.00 0.48 0.00 0.00 55.95 55.77 2uva s SER 1218Cb -0.15 0.00 -0.02 0.00 0.10 0.00 0.00 66.02 65.96 2uva s SER 1218CO 0.02 -0.21 -0.19 -0.69 0.98 0.00 0.00 173.24 173.15 2uva s VAL 1219N -1.90 1.50 -0.10 5.02 1.01 -0.56 -1.33 120.40 124.03 2uva s VAL 1219Ca -0.00 -0.97 -0.02 0.00 0.00 0.00 0.00 61.98 60.99 2uva s VAL 1219Cb -0.06 -1.28 0.04 0.00 0.00 0.00 0.00 36.38 35.07 2uva s VAL 1219CO 0.01 0.28 0.02 -0.13 0.00 0.00 0.00 175.10 175.28 2uva s ARG 1220N -0.80 0.52 0.19 2.72 0.52 0.37 -1.40 118.95 121.07 2uva s ARG 1220Ca 0.07 0.01 0.10 0.00 -0.52 0.00 0.00 55.73 55.39 2uva s ARG 1220Cb -0.08 -1.22 -0.04 0.00 0.52 0.00 0.00 34.95 34.13 2uva s ARG 1220CO 0.00 -0.40 -0.16 -1.21 0.02 0.00 0.00 175.30 173.55 2uva s GLU 1221N 1.98 1.80 0.17 3.54 2.02 -1.09 -0.06 118.70 127.06 2uva s GLU 1221Ca 0.04 -1.40 -0.32 0.00 0.02 0.00 0.00 54.97 53.31 2uva s GLU 1221Cb -0.13 -2.00 -0.10 0.00 0.10 0.00 0.00 34.13 31.99 2uva s GLU 1221CO -0.06 0.42 1.60 -2.14 0.02 0.00 0.00 175.26 175.09 2uva s PRO 1222N -2.77 4.20 1.12 0.39 0.02 -1.26 -0.96 135.00 135.74 2uva s PRO 1222Ca 0.23 2.40 -0.13 0.00 0.02 0.00 0.00 61.00 63.52 2uva s PRO 1222Cb -0.08 -3.15 0.26 0.00 0.02 0.00 0.00 34.50 31.54 2uva s PRO 1222CO 0.13 -0.64 1.05 -1.12 -0.33 0.00 0.00 177.00 176.09 2uva s SER 1223N 1.17 1.48 -0.83 2.53 0.01 -1.08 -4.88 113.70 112.10 2uva s SER 1223Ca 0.71 1.29 -0.25 0.00 1.31 0.00 0.00 55.95 59.01 2uva s SER 1223Cb -0.45 -2.01 -0.02 0.00 0.21 0.00 0.00 66.02 63.75 2uva s SER 1223CO 0.31 -3.86 1.81 -1.10 0.41 0.00 0.00 173.24 170.82 2uva s GLN 1224N -4.71 2.75 0.00 12.44 -1.52 -1.26 -2.95 119.66 124.41 2uva s GLN 1224Ca 0.67 -0.15 0.00 0.00 -1.95 0.00 0.00 55.36 53.93 2uva s GLN 1224Cb -0.22 -4.86 0.00 0.00 -0.22 0.00 0.00 33.01 27.72 2uva s GLN 1224CO 0.61 -2.97 0.00 0.45 -0.25 0.00 0.00 175.29 173.14 2uva n SER 1225N 12.68 0.00 -4.74 5.90 2.88 -1.26 -5.05 113.62 124.03 2uva n SER 1225Ca 0.31 0.00 -0.25 0.00 -1.33 0.00 0.00 58.87 57.61 2uva n SER 1225Cb 0.49 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.88 2uva n SER 1225CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2uva s ALA 1226N -3.03 3.58 0.61 -1.46 0.00 -1.15 -5.13 121.76 115.17 2uva s ALA 1226Ca 0.00 -2.11 -0.15 0.00 0.00 0.00 0.00 51.96 49.70 2uva s ALA 1226Cb 0.00 -0.38 -0.03 0.00 0.00 0.00 0.00 23.12 22.71 2uva s ALA 1226CO 0.00 -0.16 1.06 0.21 0.00 0.00 0.00 175.76 176.87 2uva s LYS 1227N -3.90 3.23 -0.15 0.00 2.20 -1.26 -2.64 119.74 117.22 2uva s LYS 1227Ca 0.41 1.22 -0.42 0.00 -0.36 0.00 0.00 55.97 56.82 2uva s LYS 1227Cb 0.04 -2.02 -0.20 0.00 -1.51 0.00 0.00 37.83 34.14 2uva s LYS 1227CO 0.23 -0.88 1.24 1.47 -0.36 0.00 0.00 175.35 177.05 2uva n LEU 1228N -2.12 0.42 -4.56 5.43 -0.00 -1.26 -3.88 117.00 111.03 2uva n LEU 1228Ca 0.09 1.17 -0.24 0.00 -0.00 0.00 0.00 56.01 57.03 2uva n LEU 1228Cb 0.53 -0.92 -0.09 0.00 -0.00 0.00 0.00 43.42 42.94 2uva n LEU 1228CO 0.48 -1.55 -0.39 -0.69 -0.00 0.00 0.00 177.39 175.23 2uva s VAL 1229N 0.93 2.83 0.04 1.47 1.01 -0.13 -4.85 120.40 121.70 2uva s VAL 1229Ca 0.95 -2.15 -0.30 0.00 0.00 0.00 0.00 61.98 60.48 2uva s VAL 1229Cb -1.32 -2.60 -0.05 0.00 0.00 0.00 0.00 36.38 32.40 2uva s VAL 1229CO 0.64 -0.34 1.21 -0.54 0.00 0.00 0.00 175.10 176.07 2uva s LYS 1230N -3.61 4.41 0.08 2.72 1.02 -1.26 -2.66 119.74 120.44 2uva s LYS 1230Ca 0.32 1.76 0.00 0.00 0.02 0.00 0.00 55.97 58.07 2uva s LYS 1230Cb -0.04 -3.39 0.00 0.00 -0.52 0.00 0.00 37.83 33.87 2uva s LYS 1230CO 0.18 -0.30 0.00 0.25 -0.92 0.00 0.00 175.35 174.55 2uva n THR 1231N 4.08 0.67 -4.42 2.17 -2.24 -0.49 -4.63 114.28 109.42 2uva n THR 1231Ca 0.09 0.22 -0.23 0.00 -2.27 0.00 0.00 64.05 61.87 2uva n THR 1231Cb 0.46 -1.41 -0.13 0.00 -2.10 0.00 0.00 70.33 67.15 2uva n THR 1231CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2uva s VAL 1232N -2.00 1.42 -0.07 2.28 1.01 -1.25 -1.17 120.40 120.62 2uva s VAL 1232Ca 0.00 -1.21 -0.08 0.00 0.00 0.00 0.00 61.98 60.70 2uva s VAL 1232Cb 0.00 -1.28 0.02 0.00 0.00 0.00 0.00 36.38 35.12 2uva s VAL 1232CO 0.00 0.04 0.21 -0.70 0.00 0.00 0.00 175.10 174.65 2uva s GLU 1233N -1.36 0.28 -0.06 2.72 2.12 -0.53 -1.50 118.70 120.36 2uva s GLU 1233Ca 0.04 0.22 0.01 0.00 0.36 0.00 0.00 54.97 55.60 2uva s GLU 1233Cb -0.09 0.13 0.02 0.00 0.26 0.00 0.00 34.13 34.46 2uva s GLU 1233CO 0.02 -0.04 -0.06 0.42 -0.54 0.00 0.00 175.26 175.06 2uva s ILE 1234N -0.07 0.72 0.27 -3.70 1.01 0.02 -0.96 121.20 118.49 2uva s ILE 1234Ca -0.02 -0.20 0.01 0.00 0.00 0.00 0.00 60.65 60.45 2uva s ILE 1234Cb -0.02 -0.73 -0.00 0.00 0.01 0.00 0.00 42.46 41.71 2uva s ILE 1234CO 0.01 0.28 0.33 2.29 0.00 0.00 0.00 174.94 177.84 2uva n LYS 1235N 4.24 0.47 -3.26 2.79 2.85 -1.19 -1.69 118.16 122.37 2uva n LYS 1235Ca -0.21 -2.33 -0.18 0.00 -1.05 0.00 0.00 58.31 54.54 2uva n LYS 1235Cb 0.51 2.12 -0.00 0.00 -0.65 0.00 0.00 35.03 37.00 2uva n LYS 1235CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 2uva s LEU 1236N 0.00 3.66 -0.12 -5.58 1.43 -1.26 -1.30 118.68 115.52 2uva s LEU 1236Ca 0.26 -0.44 -0.30 0.00 -1.03 0.00 0.00 54.13 52.62 2uva s LEU 1236Cb 0.00 -2.53 0.09 0.00 0.03 0.00 0.00 46.19 43.78 2uva s LEU 1236CO 0.18 -0.65 0.80 -0.69 0.23 0.00 0.00 176.35 176.22 2uva s VAL 1237N -2.34 0.00 -1.56 -1.59 1.01 -0.10 -4.82 120.40 111.00 2uva s VAL 1237Ca 0.51 0.00 -0.03 0.00 0.00 0.00 0.00 61.98 62.46 2uva s VAL 1237Cb -0.08 -1.00 0.03 0.00 0.00 0.00 0.00 36.38 35.33 2uva s VAL 1237CO 0.31 0.00 0.16 0.61 0.00 0.00 0.00 175.10 176.19 2uva n GLY 1238N 1.12 -0.18 5.95 4.51 0.00 -1.26 -2.45 105.19 112.89 2uva n GLY 1238Ca -0.16 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.03 2uva n GLY 1238CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2uva n ASP 1239N -2.86 0.00 -0.04 1.61 5.75 -1.26 -3.97 116.55 115.78 2uva n ASP 1239Ca -0.27 0.00 -0.00 0.00 -0.01 0.00 0.00 54.79 54.51 2uva n ASP 1239Cb 0.67 0.00 -0.12 0.00 -1.03 0.00 0.00 41.12 40.63 2uva n ASP 1239CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 2uva n ASN 1240N 4.91 1.30 -4.55 -1.12 3.02 -1.24 -4.92 115.26 112.65 2uva n ASN 1240Ca 0.00 0.00 -0.40 0.00 -0.03 0.00 0.00 54.58 54.15 2uva n ASN 1240Cb 0.00 1.28 -0.04 0.00 -0.61 0.00 0.00 39.78 40.41 2uva n ASN 1240CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2uva n GLU 1241N -2.32 1.30 -3.10 3.52 1.02 -1.02 -4.23 120.64 115.79 2uva n GLU 1241Ca -0.14 0.21 -0.37 0.00 -0.02 0.00 0.00 57.16 56.84 2uva n GLU 1241Cb 0.72 -3.15 -0.06 0.00 -0.02 0.00 0.00 31.44 28.93 2uva n GLU 1241CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2uva s ILE 1242N 10.17 4.55 -0.40 -3.67 1.01 0.83 -0.92 121.20 132.77 2uva s ILE 1242Ca 1.03 1.36 -0.06 0.00 0.00 0.00 0.00 60.65 62.98 2uva s ILE 1242Cb -0.37 -3.93 0.09 0.00 0.01 0.00 0.00 42.46 38.25 2uva s ILE 1242CO 0.33 0.33 0.20 0.00 0.00 0.00 0.00 174.94 175.81 2uva s ALA 1243N -1.38 3.17 -0.38 9.38 0.00 -0.42 -1.89 121.76 130.25 2uva s ALA 1243Ca 0.39 -2.23 -0.20 0.00 0.00 0.00 0.00 51.96 49.92 2uva s ALA 1243Cb -0.19 -2.47 0.01 0.00 0.00 0.00 0.00 23.12 20.48 2uva s ALA 1243CO 0.22 -1.65 0.64 -1.17 0.00 0.00 0.00 175.76 173.80 2uva s LEU 1244N 1.30 4.32 -0.04 0.00 2.96 -0.56 -3.17 118.68 123.49 2uva s LEU 1244Ca 0.03 0.01 0.06 0.00 -0.22 0.00 0.00 54.13 54.01 2uva s LEU 1244Cb -0.23 -2.77 -0.01 0.00 0.50 0.00 0.00 46.19 43.69 2uva s LEU 1244CO -0.01 -0.65 -0.21 -0.89 -1.32 0.00 0.00 176.35 173.27 2uva s THR 1245N 2.75 1.74 0.01 3.68 2.01 -0.14 -0.77 115.64 124.92 2uva s THR 1245Ca 0.24 -0.90 0.07 0.00 0.31 0.00 0.00 61.69 61.40 2uva s THR 1245Cb -0.14 -1.47 -0.03 0.00 0.01 0.00 0.00 72.50 70.87 2uva s THR 1245CO 0.16 0.49 -0.20 -0.76 -0.69 0.00 0.00 174.62 173.62 2uva s LEU 1246N -0.17 2.47 -0.26 4.42 1.43 0.10 -1.46 118.68 125.22 2uva s LEU 1246Ca -0.01 -0.40 0.01 0.00 -1.03 0.00 0.00 54.13 52.70 2uva s LEU 1246Cb -0.12 -1.46 0.07 0.00 0.03 0.00 0.00 46.19 44.71 2uva s LEU 1246CO 0.02 0.29 -0.02 -0.36 0.23 0.00 0.00 176.35 176.51 2uva s PHE 1247N -0.81 2.57 -0.41 0.29 0.40 -0.32 -0.69 117.98 119.01 2uva s PHE 1247Ca 0.13 -1.98 -0.16 0.00 -0.60 0.00 0.00 56.93 54.31 2uva s PHE 1247Cb -0.10 -1.83 0.02 0.00 0.51 0.00 0.00 43.02 41.62 2uva s PHE 1247CO 0.03 -0.82 0.38 -2.00 0.70 0.00 0.00 175.22 173.50 2uva s GLU 1248N 1.33 3.08 0.00 0.44 2.56 -0.78 -4.69 118.70 120.64 2uva s GLU 1248Ca -0.01 -0.84 0.00 0.00 0.00 0.00 0.00 54.97 54.12 2uva s GLU 1248Cb -0.19 -3.96 0.00 0.00 2.00 0.00 0.00 34.13 31.98 2uva s GLU 1248CO -0.09 -0.79 0.42 0.41 -0.56 0.00 0.00 175.26 174.65 2uva n GLY 1249N 5.12 -2.99 3.62 -1.50 0.00 -1.26 -3.02 105.19 105.16 2uva n GLY 1249Ca -0.09 0.34 -0.43 0.00 0.00 0.00 0.00 46.02 45.85 2uva n GLY 1249CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2uva s ARG 1250N -0.84 3.51 0.09 1.61 3.03 -1.26 -4.02 118.95 121.07 2uva s ARG 1250Ca 0.00 2.08 0.02 0.00 2.03 0.00 0.00 55.73 59.86 2uva s ARG 1250Cb 0.00 -4.25 -0.01 0.00 -1.03 0.00 0.00 34.95 29.66 2uva s ARG 1250CO 0.00 -1.67 0.08 0.25 -1.13 0.00 0.00 175.30 172.83 2uva n THR 1251N 6.95 0.00 0.28 4.99 -2.24 -1.26 -4.88 114.28 118.11 2uva n THR 1251Ca 0.25 -0.68 0.17 0.00 -2.27 0.00 0.00 64.05 61.52 2uva n THR 1251Cb 0.44 0.34 0.66 0.00 -2.10 0.00 0.00 70.33 69.68 2uva n THR 1251CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2uva h ALA 1252N 1.30 1.00 -0.21 6.98 0.00 -1.68 -3.11 119.26 123.55 2uva h ALA 1252Ca -0.07 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2uva h ALA 1252Cb 0.34 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.13 2uva h ALA 1252CO 0.10 0.01 0.00 -0.85 0.00 0.00 0.00 179.25 178.50 2uva n GLU 1253N -3.10 2.61 -1.41 0.00 0.28 -1.26 -4.81 120.64 112.95 2uva n GLU 1253Ca 0.01 -1.77 -0.14 0.00 -0.16 0.00 0.00 57.16 55.10 2uva n GLU 1253Cb 0.32 -1.18 -0.06 0.00 1.43 0.00 0.00 31.44 31.95 2uva n GLU 1253CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2uva n GLY 1254N 0.20 1.40 3.09 -1.84 0.00 -1.18 -4.97 105.19 101.90 2uva n GLY 1254Ca 0.07 -0.11 -0.19 0.00 0.00 0.00 0.00 46.02 45.79 2uva n GLY 1254CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2uva s GLY 1255N -2.63 0.64 -0.54 -0.02 0.00 -1.26 -4.92 107.32 98.60 2uva s GLY 1255Ca 0.00 -0.67 -0.26 0.00 0.00 0.00 0.00 44.72 43.79 2uva s GLY 1255CO 0.00 -0.64 2.31 0.14 0.00 0.00 0.00 173.10 174.91 2uva s VAL 1256N -0.69 3.07 0.04 1.40 1.01 -1.26 -4.63 120.40 119.35 2uva s VAL 1256Ca 0.01 0.03 -0.24 0.00 0.00 0.00 0.00 61.98 61.78 2uva s VAL 1256Cb -0.07 -3.19 -0.06 0.00 0.00 0.00 0.00 36.38 33.07 2uva s VAL 1256CO 0.01 -0.18 0.74 -0.69 0.00 0.00 0.00 175.10 174.97 2uva s VAL 1257N 11.84 4.75 -0.13 2.92 1.01 -1.17 -4.84 120.40 134.78 2uva s VAL 1257Ca 0.92 1.56 -0.08 0.00 0.00 0.00 0.00 61.98 64.39 2uva s VAL 1257Cb -0.16 -4.08 -0.04 0.00 0.00 0.00 0.00 36.38 32.10 2uva s VAL 1257CO 0.24 0.38 0.14 -2.16 0.00 0.00 0.00 175.10 173.70 2uva s PRO 1258N -0.13 3.56 -0.05 2.72 0.05 -1.26 -1.87 135.00 138.02 2uva s PRO 1258Ca 0.37 -0.14 0.06 0.00 0.05 0.00 0.00 61.00 61.34 2uva s PRO 1258Cb -0.20 -3.23 -0.02 0.00 0.05 0.00 0.00 34.50 31.11 2uva s PRO 1258CO 0.22 0.71 -0.22 -1.17 0.05 0.00 0.00 177.00 176.58 2uva s LEU 1259N -0.82 2.24 -0.01 -3.56 1.98 0.14 -4.94 118.68 113.71 2uva s LEU 1259Ca 0.14 -0.43 0.01 0.00 -2.89 0.00 0.00 54.13 50.96 2uva s LEU 1259Cb -0.12 -1.42 0.01 0.00 0.66 0.00 0.00 46.19 45.32 2uva s LEU 1259CO 0.03 0.28 -0.03 -0.89 -1.89 0.00 0.00 176.35 173.85 2uva s THR 1260N -0.33 0.27 -0.12 3.68 2.01 -1.26 0.03 115.64 119.91 2uva s THR 1260Ca 0.02 -0.08 -0.02 0.00 0.31 0.00 0.00 61.69 61.92 2uva s THR 1260Cb -0.12 -0.27 -0.03 0.00 0.01 0.00 0.00 72.50 72.08 2uva s THR 1260CO 0.02 0.11 -0.05 -0.36 -0.69 0.00 0.00 174.62 173.65 2uva s PHE 1261N 0.31 2.99 -0.02 4.92 0.40 0.05 -4.94 117.98 121.68 2uva s PHE 1261Ca -0.03 -0.21 -0.01 0.00 -0.60 0.00 0.00 56.93 56.08 2uva s PHE 1261Cb -0.06 -1.87 -0.04 0.00 0.51 0.00 0.00 43.02 41.56 2uva s PHE 1261CO -0.01 0.08 0.09 0.50 0.70 0.00 0.00 175.22 176.59 2uva s ARG 1262N -0.04 3.13 -0.05 0.44 3.52 -1.26 -1.50 118.95 123.19 2uva s ARG 1262Ca 0.01 -0.43 -0.00 0.00 -0.13 0.00 0.00 55.73 55.18 2uva s ARG 1262Cb -0.13 -2.91 0.03 0.00 -1.56 0.00 0.00 34.95 30.38 2uva s ARG 1262CO 0.03 0.67 -0.00 -0.06 -0.81 0.00 0.00 175.30 175.12 2uva s PHE 1263N -1.17 0.50 0.96 5.12 0.40 -0.79 0.64 117.98 123.65 2uva s PHE 1263Ca 0.22 -0.08 -0.15 0.00 -0.60 0.00 0.00 56.93 56.32 2uva s PHE 1263Cb -0.12 -0.60 0.18 0.00 0.51 0.00 0.00 43.02 42.99 2uva s PHE 1263CO 0.13 -0.22 1.23 0.95 0.70 0.00 0.00 175.22 178.01 2uva s THR 1264N 1.43 1.94 -0.31 0.64 -4.23 -1.20 -0.12 115.64 113.79 2uva s THR 1264Ca -0.04 0.00 0.06 0.00 -1.18 0.00 0.00 61.69 60.53 2uva s THR 1264Cb -0.13 -2.88 0.19 0.00 1.34 0.00 0.00 72.50 71.02 2uva s THR 1264CO -0.03 0.00 0.56 -0.47 -0.54 0.00 0.00 174.62 174.14 2uva s TYR 1265N -3.59 -1.65 -0.69 3.99 6.14 -1.26 -2.96 117.35 117.34 2uva s TYR 1265Ca 0.69 0.74 0.00 0.00 0.64 0.00 0.00 57.07 59.15 2uva s TYR 1265Cb -0.08 0.22 0.17 0.00 0.42 0.00 0.00 41.96 42.69 2uva s TYR 1265CO 0.53 -1.09 0.50 -1.01 0.64 0.00 0.00 175.55 175.12 2uva s HIS 1266N 2.56 3.51 -0.88 4.97 0.09 -0.89 -4.90 115.29 119.74 2uva s HIS 1266Ca 0.11 -2.99 0.00 0.00 -0.00 0.00 0.00 55.06 52.18 2uva s HIS 1266Cb -0.09 -3.05 0.00 0.00 -0.00 0.00 0.00 32.58 29.43 2uva s HIS 1266CO -0.23 -0.74 0.35 -2.30 -0.00 0.00 0.00 174.74 171.82 2uva n PRO 1267N 2.86 0.00 -0.05 8.40 -0.02 -1.26 -1.81 135.00 143.12 2uva n PRO 1267Ca 0.13 0.05 -0.04 0.00 -2.02 0.00 0.00 63.50 61.62 2uva n PRO 1267Cb 0.36 -1.55 -0.03 0.00 -0.02 0.00 0.00 33.50 32.26 2uva n PRO 1267CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 2uva h GLU 1268N 0.00 -0.10 -5.12 -0.52 4.22 -1.91 -3.38 114.58 107.78 2uva h GLU 1268Ca 0.00 0.01 -0.67 0.00 0.08 0.00 0.00 59.36 58.78 2uva h GLU 1268Cb 0.10 0.02 -0.17 0.00 0.50 0.00 0.00 28.75 29.21 2uva h GLU 1268CO 0.00 -0.06 0.19 0.00 -2.18 0.00 0.00 179.01 176.96 2uva s ALA 1269N -4.28 3.33 0.39 2.92 0.00 -0.75 -4.67 121.76 118.70 2uva s ALA 1269Ca -0.04 -1.74 0.34 0.00 0.00 0.00 0.00 51.96 50.52 2uva s ALA 1269Cb 0.02 -3.49 1.68 0.00 0.00 0.00 0.00 23.12 21.34 2uva s ALA 1269CO 0.18 -2.19 2.13 0.78 0.00 0.00 0.00 175.76 176.65 2uva h GLY 1270N 10.11 0.00 0.47 0.00 0.00 -1.73 -2.94 103.07 108.98 2uva h GLY 1270Ca -0.28 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.03 2uva h GLY 1270CO 1.03 0.00 -0.08 0.10 0.00 0.00 0.00 176.54 177.59 2uva h TYR 1271N 0.00 0.13 -2.68 5.60 -0.00 -1.84 -3.38 116.97 114.80 2uva h TYR 1271Ca -0.00 -0.05 -0.61 0.00 0.00 0.00 0.00 58.73 58.07 2uva h TYR 1271Cb 0.30 -0.02 -0.41 0.00 0.00 0.00 0.00 36.73 36.59 2uva h TYR 1271CO 0.00 0.70 -0.66 0.00 -0.00 0.00 0.00 178.16 178.20 2uva n ALA 1272N -2.44 3.47 0.26 0.10 0.00 -1.17 -4.91 120.51 115.82 2uva n ALA 1272Ca -0.09 -4.35 0.13 0.00 0.00 0.00 0.00 53.44 49.14 2uva n ALA 1272Cb 0.36 -0.95 0.72 0.00 0.00 0.00 0.00 19.45 19.59 2uva n ALA 1272CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2uva h PRO 1273N 4.99 0.00 -6.25 0.00 0.13 -1.70 -3.43 132.00 125.73 2uva h PRO 1273Ca 0.17 0.00 -0.69 0.00 -0.87 0.00 0.00 66.00 64.61 2uva h PRO 1273Cb 0.75 0.00 -0.27 0.00 0.13 0.00 0.00 31.00 31.61 2uva h PRO 1273CO 0.69 0.11 -0.83 0.42 -0.23 0.00 0.00 178.00 178.16 2uva s ILE 1274N -4.08 2.53 0.41 -3.56 1.01 -1.26 -2.09 121.20 114.15 2uva s ILE 1274Ca -0.02 -0.91 0.03 0.00 0.00 0.00 0.00 60.65 59.75 2uva s ILE 1274Cb 0.12 -1.95 -0.04 0.00 0.01 0.00 0.00 42.46 40.61 2uva s ILE 1274CO 0.58 0.58 0.07 -0.13 0.00 0.00 0.00 174.94 176.04 2uva s ARG 1275N -0.47 1.91 0.03 2.79 0.52 -1.15 -2.94 118.95 119.64 2uva s ARG 1275Ca 0.06 -2.15 0.08 0.00 -0.52 0.00 0.00 55.73 53.20 2uva s ARG 1275Cb -0.12 -0.95 -0.03 0.00 0.52 0.00 0.00 34.95 34.38 2uva s ARG 1275CO 0.01 -0.34 -0.24 -2.00 0.02 0.00 0.00 175.30 172.75 2uva s GLU 1276N -3.79 1.69 -0.24 3.54 2.12 -0.53 -3.26 118.70 118.22 2uva s GLU 1276Ca 0.24 -1.00 -0.29 0.00 0.36 0.00 0.00 54.97 54.28 2uva s GLU 1276Cb 0.05 -1.80 -0.01 0.00 0.26 0.00 0.00 34.13 32.63 2uva s GLU 1276CO 0.13 0.47 1.30 0.08 -0.54 0.00 0.00 175.26 176.70 2uva s VAL 1277N -0.75 4.17 -0.10 3.70 1.01 0.21 -4.75 120.40 123.88 2uva s VAL 1277Ca 0.10 1.36 -0.06 0.00 0.00 0.00 0.00 61.98 63.38 2uva s VAL 1277Cb -0.09 -4.07 -0.02 0.00 0.00 0.00 0.00 36.38 32.20 2uva s VAL 1277CO 0.01 -0.34 -0.11 0.24 0.00 0.00 0.00 175.10 174.91 2uva h MET 1278N 8.96 0.00 -6.05 2.72 0.00 -1.99 -3.43 114.93 115.14 2uva h MET 1278Ca -0.27 0.00 -0.77 0.00 0.00 0.00 0.00 59.70 58.66 2uva h MET 1278Cb 1.10 0.00 0.05 0.00 0.00 0.00 0.00 31.60 32.75 2uva h MET 1278CO 1.01 0.00 0.15 0.39 0.00 0.00 0.00 176.91 178.46 2uva n GLU 1279N -4.06 0.21 0.00 1.72 1.02 -1.26 -0.81 120.64 117.46 2uva n GLU 1279Ca -0.04 0.08 0.00 0.00 -0.02 0.00 0.00 57.16 57.17 2uva n GLU 1279Cb 0.17 -1.60 0.00 0.00 -0.02 0.00 0.00 31.44 29.98 2uva n GLU 1279CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2uva n GLY 1280N 1.75 2.99 0.34 0.62 0.00 -1.26 -4.90 105.19 104.73 2uva n GLY 1280Ca 0.20 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.36 2uva n GLY 1280CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2uva n ARG 1281N -1.05 -0.08 0.47 1.61 0.63 0.01 0.12 116.66 118.37 2uva n ARG 1281Ca 0.00 1.46 -0.20 0.00 -0.92 0.00 0.00 57.85 58.19 2uva n ARG 1281Cb 0.00 -2.30 -0.10 0.00 0.45 0.00 0.00 32.46 30.51 2uva n ARG 1281CO 0.00 0.00 0.00 -0.91 -2.51 0.00 0.00 177.63 174.21 2uva h ASN 1282N 0.00 -1.08 -0.40 6.15 2.35 -1.90 -2.04 115.58 118.66 2uva h ASN 1282Ca 0.58 0.04 0.02 0.00 -0.55 0.00 0.00 56.30 56.39 2uva h ASN 1282Cb 1.17 0.29 -0.03 0.00 0.05 0.00 0.00 38.32 39.80 2uva h ASN 1282CO -0.92 -0.74 0.23 0.44 -1.65 0.00 0.00 177.43 174.79 2uva h ASP 1283N -1.21 0.38 -0.83 5.81 3.32 -0.95 -0.96 116.42 121.98 2uva h ASP 1283Ca -0.12 0.00 0.09 0.00 0.02 0.00 0.00 57.03 57.02 2uva h ASP 1283Cb 0.94 -0.07 -0.07 0.00 0.22 0.00 0.00 39.33 40.34 2uva h ASP 1283CO 0.18 0.27 0.48 -0.09 -1.72 0.00 0.00 179.24 178.36 2uva h ARG 1284N 0.47 0.80 0.00 3.56 2.43 0.88 0.40 114.38 122.92 2uva h ARG 1284Ca 0.16 -0.05 -0.24 0.00 -0.81 0.00 0.00 59.98 59.05 2uva h ARG 1284Cb 0.01 -0.18 0.02 0.00 -0.42 0.00 0.00 29.97 29.40 2uva h ARG 1284CO -0.08 0.53 -0.93 0.82 -1.51 0.00 0.00 179.97 178.81 2uva h ILE 1285N 0.83 1.32 -0.69 1.20 2.04 -1.14 -2.93 117.51 118.13 2uva h ILE 1285Ca 0.39 -2.20 0.06 0.00 1.00 0.00 0.00 64.86 64.11 2uva h ILE 1285Cb 0.33 2.45 -0.06 0.00 -0.74 0.00 0.00 36.82 38.80 2uva h ILE 1285CO -0.23 0.67 0.39 0.11 0.00 0.00 0.00 178.15 179.09 2uva h LYS 1286N 0.25 0.68 -0.10 2.37 1.57 -0.62 -1.48 116.57 119.24 2uva h LYS 1286Ca -0.12 -0.04 0.04 0.00 -1.87 0.00 0.00 60.65 58.67 2uva h LYS 1286Cb 1.60 -0.15 -0.06 0.00 0.08 0.00 0.00 32.23 33.69 2uva h LYS 1286CO 0.18 0.45 -0.32 0.93 -0.57 0.00 0.00 179.45 180.12 2uva h GLU 1287N 0.70 -0.40 -0.64 3.15 5.08 -0.95 -0.53 114.58 121.00 2uva h GLU 1287Ca 0.31 0.03 0.06 0.00 -1.00 0.00 0.00 59.36 58.76 2uva h GLU 1287Cb 0.21 0.09 -0.09 0.00 0.50 0.00 0.00 28.75 29.47 2uva h GLU 1287CO -0.19 -0.26 -0.47 0.35 -1.00 0.00 0.00 179.01 177.43 2uva h PHE 1288N -0.41 -1.48 -0.36 4.33 3.57 -1.10 -1.15 116.94 120.34 2uva h PHE 1288Ca 0.09 0.09 0.07 0.00 3.53 0.00 0.00 57.97 61.75 2uva h PHE 1288Cb 0.55 0.73 -0.07 0.00 2.79 0.00 0.00 35.95 39.95 2uva h PHE 1288CO -0.39 -0.33 -0.09 1.88 -2.23 0.00 0.00 178.31 177.14 2uva h TYR 1289N -0.12 -0.20 -0.75 0.41 0.05 -0.99 -0.43 116.97 114.93 2uva h TYR 1289Ca 0.10 0.03 0.15 0.00 0.05 0.00 0.00 58.73 59.07 2uva h TYR 1289Cb 0.39 0.15 -0.10 0.00 1.01 0.00 0.00 36.73 38.17 2uva h TYR 1289CO -0.90 -0.16 0.26 -0.92 -1.05 0.00 0.00 178.16 175.38 2uva h TYR 1290N -0.01 0.42 -0.20 4.88 5.03 -0.09 0.33 116.97 127.35 2uva h TYR 1290Ca 0.17 0.04 -0.10 0.00 2.58 0.00 0.00 58.73 61.42 2uva h TYR 1290Cb 0.27 -0.07 -0.01 0.00 1.55 0.00 0.00 36.73 38.46 2uva h TYR 1290CO -0.33 -0.00 -0.31 -0.09 -1.32 0.00 0.00 178.16 176.11 2uva h ARG 1291N 0.37 0.39 0.00 1.82 2.43 -0.23 -1.34 114.38 117.81 2uva h ARG 1291Ca 0.42 -0.16 0.00 0.00 -0.81 0.00 0.00 59.98 59.43 2uva h ARG 1291Cb 0.68 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.21 2uva h ARG 1291CO -0.45 0.66 -0.01 0.28 -1.51 0.00 0.00 179.97 178.94 2uva h VAL 1292N 0.34 0.00 0.00 0.20 2.07 0.11 -1.96 116.25 117.01 2uva h VAL 1292Ca 0.05 -0.64 -0.38 0.00 0.82 0.00 0.00 66.70 66.54 2uva h VAL 1292Cb 0.71 1.64 -0.07 0.00 -1.52 0.00 0.00 31.29 32.05 2uva h VAL 1292CO 0.05 0.00 -2.40 0.79 0.02 0.00 0.00 177.57 176.03 2uva n TRP 1293N -2.53 0.00 -0.06 1.57 8.01 0.71 -2.28 117.44 122.87 2uva n TRP 1293Ca 0.05 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.24 2uva n TRP 1293Cb 0.46 -0.94 0.00 0.00 -2.01 0.00 0.00 31.31 28.82 2uva n TRP 1293CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.69 177.87 2uva n PHE 1294N -3.37 0.00 -1.05 -5.99 3.01 -0.53 -4.81 117.46 104.73 2uva n PHE 1294Ca -0.45 0.00 -0.02 0.00 1.01 0.00 0.00 57.45 58.00 2uva n PHE 1294Cb 0.95 0.00 -0.01 0.00 -0.01 0.00 0.00 39.48 40.41 2uva n PHE 1294CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2uva n ALA 1295N -0.44 -0.02 -2.74 4.37 0.00 -0.74 -5.00 120.51 115.94 2uva n ALA 1295Ca 0.00 0.03 -0.37 0.00 0.00 0.00 0.00 53.44 53.10 2uva n ALA 1295Cb 0.02 -0.83 -0.11 0.00 0.00 0.00 0.00 19.45 18.53 2uva n ALA 1295CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2uva s GLU 1296N -1.28 3.90 0.42 0.00 2.02 -1.26 -4.94 118.70 117.56 2uva s GLU 1296Ca 0.00 -0.35 0.23 0.00 0.02 0.00 0.00 54.97 54.86 2uva s GLU 1296Cb 0.00 -3.51 0.39 0.00 0.10 0.00 0.00 34.13 31.10 2uva s GLU 1296CO 0.00 -0.10 1.62 0.87 0.02 0.00 0.00 175.26 177.67 2uva h LYS 1297N 8.03 0.00 -5.66 1.61 1.57 -1.93 -3.31 116.57 116.89 2uva h LYS 1297Ca -0.37 0.00 -0.62 0.00 -1.87 0.00 0.00 60.65 57.79 2uva h LYS 1297Cb 1.18 0.00 -0.13 0.00 0.08 0.00 0.00 32.23 33.37 2uva h LYS 1297CO 0.59 0.09 0.27 -1.21 -0.57 0.00 0.00 179.45 178.62 2uva s GLU 1298N -3.21 3.64 -0.22 3.15 2.02 -1.26 -4.92 118.70 117.89 2uva s GLU 1298Ca 0.06 0.10 -0.01 0.00 0.02 0.00 0.00 54.97 55.15 2uva s GLU 1298Cb 0.06 -3.84 0.02 0.00 0.10 0.00 0.00 34.13 30.47 2uva s GLU 1298CO 0.67 -0.87 -0.12 0.14 0.02 0.00 0.00 175.26 175.11 2uva s VAL 1299N 2.98 2.60 -0.85 2.63 -7.23 -1.26 -5.05 120.40 114.22 2uva s VAL 1299Ca 0.28 -0.94 -0.26 0.00 -1.81 0.00 0.00 61.98 59.25 2uva s VAL 1299Cb -0.13 -2.23 -0.12 0.00 0.56 0.00 0.00 36.38 34.45 2uva s VAL 1299CO 0.17 0.35 2.28 -2.84 -0.31 0.00 0.00 175.10 174.76 2uva s PRO 1300N 1.32 1.78 -0.14 4.82 0.02 -1.26 -4.79 135.00 136.75 2uva s PRO 1300Ca 0.02 0.22 -0.27 0.00 0.02 0.00 0.00 61.00 60.99 2uva s PRO 1300Cb -0.15 -4.87 -0.25 0.00 0.02 0.00 0.00 34.50 29.26 2uva s PRO 1300CO -0.08 -4.31 0.72 0.74 -0.33 0.00 0.00 177.00 173.75 2uva h PHE 1301N 12.24 0.00 0.00 6.54 0.04 -1.96 -3.37 116.94 130.43 2uva h PHE 1301Ca 0.03 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.80 2uva h PHE 1301Cb 1.00 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.15 2uva h PHE 1301CO 1.16 0.96 0.00 -0.25 -0.60 0.00 0.00 178.31 179.58 2uva n ASP 1302N -4.61 0.00 -4.67 2.17 8.00 -1.26 -1.56 116.55 114.61 2uva n ASP 1302Ca -0.10 -0.08 -0.47 0.00 0.71 0.00 0.00 54.79 54.85 2uva n ASP 1302Cb 0.46 -0.30 -0.04 0.00 -0.02 0.00 0.00 41.12 41.22 2uva n ASP 1302CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 2uva n THR 1303N -1.30 0.21 -2.18 -3.53 -2.24 -1.26 -4.94 114.28 99.04 2uva n THR 1303Ca 0.13 -0.04 -0.34 0.00 -2.27 0.00 0.00 64.05 61.53 2uva n THR 1303Cb 0.23 -1.65 0.00 0.00 -2.10 0.00 0.00 70.33 66.81 2uva n THR 1303CO 0.00 0.00 0.00 -2.84 -0.57 0.00 0.00 175.07 171.66 2uva s PRO 1304N 2.04 3.37 0.00 -0.78 0.02 -1.26 -4.70 135.00 133.69 2uva s PRO 1304Ca 0.84 1.39 0.27 0.00 0.02 0.00 0.00 61.00 63.52 2uva s PRO 1304Cb -0.69 -2.03 1.16 0.00 0.02 0.00 0.00 34.50 32.97 2uva s PRO 1304CO 0.43 -0.80 1.87 1.28 -0.33 0.00 0.00 177.00 179.45 2uva n LEU 1305N -1.62 0.00 0.14 -5.54 4.32 -1.26 -1.33 117.00 111.72 2uva n LEU 1305Ca 0.10 0.50 0.01 0.00 -0.02 0.00 0.00 56.01 56.60 2uva n LEU 1305Cb 0.52 -0.50 0.16 0.00 -1.62 0.00 0.00 43.42 41.98 2uva n LEU 1305CO 0.44 -0.03 0.50 0.74 -1.22 0.00 0.00 177.39 177.82 2uva h THR 1306N 0.00 1.16 -3.56 -5.08 2.02 -1.93 -3.36 112.91 102.16 2uva h THR 1306Ca 0.00 -2.13 -0.56 0.00 0.77 0.00 0.00 66.41 64.49 2uva h THR 1306Cb 0.47 2.24 0.17 0.00 -1.74 0.00 0.00 68.15 69.29 2uva h THR 1306CO 0.00 0.55 0.01 0.00 0.37 0.00 0.00 175.52 176.46 2uva n ALA 1307N -2.32 -0.27 -2.58 6.16 0.00 -0.44 -4.91 120.51 116.15 2uva n ALA 1307Ca 0.00 -0.10 -0.34 0.00 0.00 0.00 0.00 53.44 53.00 2uva n ALA 1307Cb 0.65 -2.06 -0.05 0.00 0.00 0.00 0.00 19.45 17.99 2uva n ALA 1307CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2uva s VAL 1308N -1.68 5.10 -0.11 0.00 1.01 -1.26 -4.52 120.40 118.93 2uva s VAL 1308Ca 0.74 0.41 0.01 0.00 0.00 0.00 0.00 61.98 63.13 2uva s VAL 1308Cb -0.38 -3.64 -0.02 0.00 0.00 0.00 0.00 36.38 32.34 2uva s VAL 1308CO 0.50 0.25 -0.13 -0.36 0.00 0.00 0.00 175.10 175.35 2uva s PHE 1309N -1.44 2.79 -0.17 5.22 0.40 0.13 -4.94 117.98 119.97 2uva s PHE 1309Ca 0.34 -0.49 -0.16 0.00 -0.60 0.00 0.00 56.93 56.02 2uva s PHE 1309Cb -0.14 -1.79 -0.04 0.00 0.51 0.00 0.00 43.02 41.57 2uva s PHE 1309CO 0.19 -0.09 0.41 0.34 0.70 0.00 0.00 175.22 176.77 2uva s ASP 1310N 0.04 6.51 -0.11 1.36 2.15 -1.26 -1.70 116.67 123.65 2uva s ASP 1310Ca -0.04 0.60 0.17 0.00 0.43 0.00 0.00 52.55 53.71 2uva s ASP 1310Cb -0.14 -2.24 -0.24 0.00 -0.30 0.00 0.00 42.92 39.99 2uva s ASP 1310CO 0.04 -0.04 0.34 0.61 -0.17 0.00 0.00 175.17 175.96 2uva n GLY 1311N 3.66 -1.03 0.00 2.66 0.00 0.84 -4.66 105.19 106.66 2uva n GLY 1311Ca -0.08 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.67 2uva n GLY 1311CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2uva n GLY 1312N 1.60 1.89 3.76 -0.02 0.00 -1.26 -4.80 105.19 106.36 2uva n GLY 1312Ca -0.23 -2.10 -0.33 0.00 0.00 0.00 0.00 46.02 43.36 2uva n GLY 1312CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2uva s ARG 1313N -1.91 2.63 -0.25 1.61 6.06 -1.26 -2.88 118.95 122.95 2uva s ARG 1313Ca 0.00 1.50 -0.15 0.00 -2.50 0.00 0.00 55.73 54.58 2uva s ARG 1313Cb 0.00 -1.92 0.07 0.00 0.06 0.00 0.00 34.95 33.16 2uva s ARG 1313CO 0.00 -1.41 0.62 -2.00 -2.50 0.00 0.00 175.30 170.02 2uva s GLU 1314N -4.01 0.65 -0.15 5.12 2.56 -0.75 -4.93 118.70 117.19 2uva s GLU 1314Ca 0.69 1.09 -0.05 0.00 0.00 0.00 0.00 54.97 56.70 2uva s GLU 1314Cb -0.23 0.14 -0.03 0.00 2.00 0.00 0.00 34.13 36.00 2uva s GLU 1314CO 0.42 -0.14 0.02 0.42 -0.56 0.00 0.00 175.26 175.42 2uva s ILE 1315N 1.42 4.43 -0.48 -3.70 1.09 -1.25 -0.16 121.20 122.55 2uva s ILE 1315Ca -0.09 -0.17 -0.28 0.00 -1.10 0.00 0.00 60.65 59.01 2uva s ILE 1315Cb -0.06 -2.95 0.01 0.00 -1.06 0.00 0.00 42.46 38.40 2uva s ILE 1315CO -0.16 0.51 1.48 -0.69 -0.10 0.00 0.00 174.94 175.99 2uva s VAL 1316N 0.02 3.77 0.03 2.92 1.01 -0.93 -4.97 120.40 122.26 2uva s VAL 1316Ca 0.04 0.72 -0.30 0.00 0.00 0.00 0.00 61.98 62.43 2uva s VAL 1316Cb -0.13 -4.23 -0.07 0.00 0.00 0.00 0.00 36.38 31.96 2uva s VAL 1316CO 0.02 -0.91 1.48 0.21 0.00 0.00 0.00 175.10 175.90 2uva s ASN 1317N 4.66 6.77 0.36 3.32 3.04 -1.26 -4.40 114.94 127.42 2uva s ASN 1317Ca 0.60 2.25 0.18 0.00 0.04 0.00 0.00 52.86 55.93 2uva s ASN 1317Cb -0.13 -2.56 1.16 0.00 -1.54 0.00 0.00 41.25 38.17 2uva s ASN 1317CO 0.29 -0.77 1.66 0.00 -3.04 0.00 0.00 177.10 175.24 2uva h ALA 1318N 7.89 2.12 0.14 1.71 0.00 -1.93 -1.40 119.26 127.78 2uva h ALA 1318Ca -0.40 0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 2uva h ALA 1318Cb 1.19 0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.14 2uva h ALA 1318CO 0.91 -0.73 -0.07 0.37 0.00 0.00 0.00 179.25 179.74 2uva h GLN 1319N 0.27 -0.18 -1.33 0.00 5.75 -2.00 -3.27 115.11 114.35 2uva h GLN 1319Ca 0.74 0.01 0.44 0.00 -0.15 0.00 0.00 58.65 59.69 2uva h GLN 1319Cb 1.84 0.04 -0.13 0.00 1.07 0.00 0.00 27.48 30.30 2uva h GLN 1319CO -0.56 0.20 0.86 0.00 -2.65 0.00 0.00 178.83 176.68 2uva h ALA 1320N -0.54 2.75 0.48 3.38 0.00 -1.68 0.73 119.26 124.37 2uva h ALA 1320Ca -0.02 0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 2uva h ALA 1320Cb 0.46 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.46 2uva h ALA 1320CO 0.03 -1.38 -0.23 0.28 0.00 0.00 0.00 179.25 177.95 2uva h VAL 1321N 0.08 0.00 -0.57 0.00 2.07 -1.38 -2.76 116.25 113.69 2uva h VAL 1321Ca 0.83 -0.02 0.16 0.00 0.82 0.00 0.00 66.70 68.49 2uva h VAL 1321Cb 2.60 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 32.35 2uva h VAL 1321CO -0.42 0.00 0.44 0.00 0.02 0.00 0.00 177.57 177.61 2uva h ALA 1322N -1.68 2.48 -0.53 1.67 0.00 -0.96 0.10 119.26 120.34 2uva h ALA 1322Ca -0.07 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.75 2uva h ALA 1322Cb 0.49 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 2uva h ALA 1322CO 0.11 -0.73 0.06 -0.44 0.00 0.00 0.00 179.25 178.25 2uva h ASP 1323N 0.00 0.86 0.29 0.00 3.32 -1.21 -1.33 116.42 118.35 2uva h ASP 1323Ca 0.27 -0.28 -0.01 0.00 0.02 0.00 0.00 57.03 57.03 2uva h ASP 1323Cb 1.14 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 40.46 2uva h ASP 1323CO -0.00 0.93 -0.14 0.15 -1.72 0.00 0.00 179.24 178.45 2uva h PHE 1324N 0.77 -0.36 -0.26 4.55 3.57 -0.53 -2.64 116.94 122.03 2uva h PHE 1324Ca 0.16 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.68 2uva h PHE 1324Cb 0.45 0.12 -0.07 0.00 2.79 0.00 0.00 35.95 39.24 2uva h PHE 1324CO 0.03 -0.05 -0.49 0.28 -2.23 0.00 0.00 178.31 175.85 2uva h VAL 1325N -0.70 0.00 0.00 1.41 2.07 -1.37 -0.43 116.25 117.24 2uva h VAL 1325Ca -0.04 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.48 2uva h VAL 1325Cb 0.48 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.25 2uva h VAL 1325CO 0.07 0.00 0.00 1.41 0.02 0.00 0.00 177.57 179.07 2uva n HIS 1326N -5.09 0.72 -0.06 1.57 8.25 -0.50 -1.58 115.22 118.53 2uva n HIS 1326Ca -0.04 0.37 -0.04 0.00 -0.26 0.00 0.00 57.72 57.75 2uva n HIS 1326Cb 0.32 -1.10 -0.01 0.00 1.12 0.00 0.00 29.99 30.32 2uva n HIS 1326CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2uva h ALA 1327N 2.01 0.00 -0.63 -1.41 0.00 -0.83 -3.41 119.26 114.99 2uva h ALA 1327Ca 0.00 -0.47 -0.06 0.00 0.00 0.00 0.00 54.91 54.38 2uva h ALA 1327Cb 0.01 0.44 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 2uva h ALA 1327CO 0.00 0.44 0.15 -0.39 0.00 0.00 0.00 179.25 179.45 2uva h VAL 1328N -0.90 1.25 0.00 0.00 -1.51 -1.00 -3.48 116.25 110.62 2uva h VAL 1328Ca 0.00 -0.93 0.00 0.00 -1.23 0.00 0.00 66.70 64.54 2uva h VAL 1328Cb 0.44 0.66 0.00 0.00 -2.13 0.00 0.00 31.29 30.26 2uva h VAL 1328CO 0.00 0.35 0.00 0.61 -1.23 0.00 0.00 177.57 177.30 2uva n GLY 1329N -0.64 0.64 3.77 5.19 0.00 -0.61 -4.75 105.19 108.79 2uva n GLY 1329Ca 0.04 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.68 2uva n GLY 1329CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2uva s ASN 1330N -0.55 6.07 -0.38 1.61 3.84 -1.20 -4.98 114.94 119.36 2uva s ASN 1330Ca 0.00 2.39 0.12 0.00 0.21 0.00 0.00 52.86 55.58 2uva s ASN 1330Cb 0.00 -2.61 0.36 0.00 -0.55 0.00 0.00 41.25 38.45 2uva s ASN 1330CO 0.00 -0.99 0.84 0.35 -2.79 0.00 0.00 177.10 174.51 2uva n THR 1331N -0.49 0.01 -3.72 -5.21 -2.24 -1.26 -4.54 114.28 96.83 2uva n THR 1331Ca 0.07 -3.77 -0.37 0.00 -2.27 0.00 0.00 64.05 57.72 2uva n THR 1331Cb 0.47 0.20 -0.07 0.00 -2.10 0.00 0.00 70.33 68.84 2uva n THR 1331CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2uva s GLY 1332N -2.28 2.21 0.00 3.38 0.00 -1.26 -4.95 107.32 104.42 2uva s GLY 1332Ca 0.35 -0.53 0.04 0.00 0.00 0.00 0.00 44.72 44.58 2uva s GLY 1332CO -0.06 -0.04 0.64 -2.21 0.00 0.00 0.00 173.10 171.43 2uva n GLU 1333N 2.50 0.17 -0.01 2.90 2.13 -1.26 0.09 120.64 127.16 2uva n GLU 1333Ca -0.17 0.00 -0.22 0.00 0.66 0.00 0.00 57.16 57.44 2uva n GLU 1333Cb 0.53 -1.38 -0.13 0.00 0.27 0.00 0.00 31.44 30.73 2uva n GLU 1333CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2uva h ALA 1334N 2.09 0.26 0.00 4.31 0.00 -1.84 -3.35 119.26 120.73 2uva h ALA 1334Ca 0.00 -1.19 0.00 0.00 0.00 0.00 0.00 54.91 53.72 2uva h ALA 1334Cb 0.00 0.59 0.00 0.00 0.00 0.00 0.00 17.79 18.38 2uva h ALA 1334CO 0.00 0.94 0.01 0.74 0.00 0.00 0.00 179.25 180.94 2uva h PHE 1335N -0.32 0.00 -2.88 0.00 -1.00 -0.39 0.53 116.94 112.89 2uva h PHE 1335Ca -0.34 0.00 -0.63 0.00 2.81 0.00 0.00 57.97 59.81 2uva h PHE 1335Cb 1.76 0.00 -0.16 0.00 3.61 0.00 0.00 35.95 41.16 2uva h PHE 1335CO 0.11 0.00 -0.76 0.08 -1.61 0.00 0.00 178.31 176.12 2uva s VAL 1336N -3.87 2.74 0.25 -0.55 1.01 -1.13 -4.77 120.40 114.08 2uva s VAL 1336Ca -0.04 -1.97 -0.04 0.00 0.00 0.00 0.00 61.98 59.93 2uva s VAL 1336Cb 0.10 -2.36 0.23 0.00 0.00 0.00 0.00 36.38 34.35 2uva s VAL 1336CO 0.31 -0.19 1.85 0.44 0.00 0.00 0.00 175.10 177.51 2uva h ASP 1337N 2.83 0.85 -2.84 3.32 5.19 -1.83 -3.41 116.42 120.54 2uva h ASP 1337Ca -0.45 0.02 -0.41 0.00 -0.62 0.00 0.00 57.03 55.57 2uva h ASP 1337Cb 1.22 -0.15 0.22 0.00 0.18 0.00 0.00 39.33 40.79 2uva h ASP 1337CO 0.53 0.53 -0.29 -2.11 -3.12 0.00 0.00 179.24 174.77 2uva n ARG 1338N -4.62 -2.91 -0.56 3.56 1.85 -1.26 -4.66 116.66 108.06 2uva n ARG 1338Ca 0.14 -0.84 0.07 0.00 -1.00 0.00 0.00 57.85 56.23 2uva n ARG 1338Cb 0.22 -1.97 -0.02 0.00 -1.05 0.00 0.00 32.46 29.63 2uva n ARG 1338CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2uva n GLY 1339N 1.52 -2.01 0.41 2.89 0.00 -1.26 -4.30 105.19 102.45 2uva n GLY 1339Ca 0.04 -1.36 0.07 0.00 0.00 0.00 0.00 46.02 44.77 2uva n GLY 1339CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2uva n LYS 1340N -2.92 1.53 -4.42 1.61 5.02 -1.26 -4.78 118.16 112.93 2uva n LYS 1340Ca -0.01 -0.81 -0.23 0.00 -2.02 0.00 0.00 58.31 55.23 2uva n LYS 1340Cb 0.26 -1.28 -0.17 0.00 -0.02 0.00 0.00 35.03 33.83 2uva n LYS 1340CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2uva s ASP 1341N -1.29 1.56 -0.23 4.39 1.11 -1.26 -5.12 116.67 115.83 2uva s ASP 1341Ca 0.24 -0.25 0.01 0.00 0.18 0.00 0.00 52.55 52.73 2uva s ASP 1341Cb 0.12 -0.72 0.06 0.00 1.07 0.00 0.00 42.92 43.45 2uva s ASP 1341CO 0.18 -0.00 -0.06 0.12 1.18 0.00 0.00 175.17 176.59 2uva s PHE 1342N 0.80 2.41 0.09 4.23 5.36 -1.24 -4.09 117.98 125.54 2uva s PHE 1342Ca -0.12 -1.73 0.02 0.00 -0.96 0.00 0.00 56.93 54.14 2uva s PHE 1342Cb -0.15 -1.59 -0.04 0.00 -0.34 0.00 0.00 43.02 40.90 2uva s PHE 1342CO 0.02 -0.77 -0.07 -0.06 -1.46 0.00 0.00 175.22 172.88 2uva s PHE 1343N 1.39 0.88 -0.08 10.12 0.40 0.19 -4.64 117.98 126.24 2uva s PHE 1343Ca -0.05 -0.81 -0.04 0.00 -0.60 0.00 0.00 56.93 55.43 2uva s PHE 1343Cb -0.18 -0.50 -0.04 0.00 0.51 0.00 0.00 43.02 42.80 2uva s PHE 1343CO -0.06 -0.12 0.10 0.00 0.70 0.00 0.00 175.22 175.84 2uva s ALA 1344N -3.10 3.70 0.29 5.36 0.00 0.34 -3.54 121.76 124.81 2uva s ALA 1344Ca 0.07 -0.74 -0.27 0.00 0.00 0.00 0.00 51.96 51.03 2uva s ALA 1344Cb 0.02 -1.77 -0.14 0.00 0.00 0.00 0.00 23.12 21.22 2uva s ALA 1344CO -0.03 0.64 0.83 -2.30 0.00 0.00 0.00 175.76 174.90 2uva n PRO 1345N 1.73 0.92 0.00 0.00 -0.02 -1.26 -4.10 135.00 132.27 2uva n PRO 1345Ca -0.17 0.32 0.12 0.00 -2.02 0.00 0.00 63.50 61.75 2uva n PRO 1345Cb 0.54 -1.60 0.53 0.00 -0.02 0.00 0.00 33.50 32.95 2uva n PRO 1345CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2uva n MET 1346N 0.75 0.08 0.18 -0.52 0.00 -1.26 -1.91 117.12 114.44 2uva n MET 1346Ca 0.12 0.08 0.14 0.00 0.00 0.00 0.00 57.70 58.04 2uva n MET 1346Cb 0.32 -1.50 0.60 0.00 0.00 0.00 0.00 33.22 32.63 2uva n MET 1346CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 175.97 175.53 2uva h ASP 1347N 0.00 0.00 1.22 3.17 3.32 -2.00 -2.21 116.42 119.92 2uva h ASP 1347Ca 0.00 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 2uva h ASP 1347Cb 0.37 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.91 2uva h ASP 1347CO 0.00 0.00 -0.07 0.15 -1.72 0.00 0.00 179.24 177.60 2uva h PHE 1348N 0.00 0.00 -0.87 4.55 3.57 -1.74 -2.97 116.94 119.49 2uva h PHE 1348Ca 0.00 0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.58 2uva h PHE 1348Cb 0.31 0.00 -0.06 0.00 2.79 0.00 0.00 35.95 38.99 2uva h PHE 1348CO 0.00 0.07 0.56 0.00 -2.23 0.00 0.00 178.31 176.71 2uva h ALA 1349N 1.93 1.62 0.00 2.41 0.00 -1.59 0.39 119.26 124.03 2uva h ALA 1349Ca -0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 2uva h ALA 1349Cb 0.70 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 2uva h ALA 1349CO 0.01 0.22 -0.16 0.82 0.00 0.00 0.00 179.25 180.14 2uva h ILE 1350N 0.89 0.33 0.17 0.00 1.08 -1.72 0.16 117.51 118.41 2uva h ILE 1350Ca 0.39 -1.12 -0.24 0.00 -0.39 0.00 0.00 64.86 63.50 2uva h ILE 1350Cb 0.34 1.87 0.02 0.00 -3.07 0.00 0.00 36.82 35.98 2uva h ILE 1350CO -0.16 0.15 -1.09 1.62 -0.69 0.00 0.00 178.15 177.99 2uva h VAL 1351N 0.00 1.37 0.64 1.67 3.04 -1.14 -2.82 116.25 119.01 2uva h VAL 1351Ca -0.00 -2.55 -0.03 0.00 -1.01 0.00 0.00 66.70 63.10 2uva h VAL 1351Cb 0.86 3.08 0.01 0.00 -2.01 0.00 0.00 31.29 33.23 2uva h VAL 1351CO 0.02 0.74 -0.31 0.58 -1.01 0.00 0.00 177.57 177.59 2uva h VAL 1352N -0.23 0.00 -0.03 1.51 2.07 -0.25 -3.20 116.25 116.12 2uva h VAL 1352Ca -0.20 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 67.04 2uva h VAL 1352Cb 1.80 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.57 2uva h VAL 1352CO 0.17 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.37 2uva n GLY 1353N -0.56 0.34 0.44 2.17 0.00 0.55 -4.23 105.19 103.91 2uva n GLY 1353Ca -0.11 -0.04 0.26 0.00 0.00 0.00 0.00 46.02 46.13 2uva n GLY 1353CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 173.32 173.07 2uva h TRP 1354N 0.20 0.00 0.00 1.61 -0.00 -1.49 -0.67 115.95 115.59 2uva h TRP 1354Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.89 58.89 2uva h TRP 1354Cb 0.30 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 29.46 2uva h TRP 1354CO 0.04 0.00 0.00 1.63 -0.00 0.00 0.00 178.44 180.11 2uva n LYS 1355N -4.15 0.00 -0.00 2.65 5.02 -1.26 -2.79 118.16 117.62 2uva n LYS 1355Ca 0.15 0.48 0.18 0.00 -2.02 0.00 0.00 58.31 57.11 2uva n LYS 1355Cb 0.87 -1.38 0.65 0.00 -0.02 0.00 0.00 35.03 35.14 2uva n LYS 1355CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2uva h ALA 1356N -2.00 2.37 0.00 7.82 0.00 -1.57 0.56 119.26 126.44 2uva h ALA 1356Ca 0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 2uva h ALA 1356Cb 0.00 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 2uva h ALA 1356CO 0.00 -0.52 -0.14 0.97 0.00 0.00 0.00 179.25 179.57 2uva h ILE 1357N 0.08 0.26 0.00 0.00 6.09 -1.26 -3.37 117.51 119.31 2uva h ILE 1357Ca 0.25 -1.19 -0.40 0.00 -1.37 0.00 0.00 64.86 62.14 2uva h ILE 1357Cb 0.87 1.98 -0.06 0.00 0.47 0.00 0.00 36.82 40.07 2uva h ILE 1357CO -0.02 0.13 -2.42 0.41 -3.07 0.00 0.00 178.15 173.19 2uva n THR 1358N -3.16 1.40 -0.26 2.19 -1.04 0.09 -4.67 114.28 108.83 2uva n THR 1358Ca 0.02 -0.43 0.18 0.00 -2.04 0.00 0.00 64.05 61.78 2uva n THR 1358Cb 0.52 -1.64 0.48 0.00 -1.82 0.00 0.00 70.33 67.87 2uva n THR 1358CO 0.00 0.00 0.00 0.11 -0.64 0.00 0.00 175.07 174.54 2uva h LYS 1359N -0.54 0.45 0.00 -2.82 1.57 -1.44 -1.79 116.57 111.99 2uva h LYS 1359Ca -0.61 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.15 2uva h LYS 1359Cb 1.68 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 33.89 2uva h LYS 1359CO -0.27 0.30 0.00 -2.30 -0.57 0.00 0.00 179.45 176.61 2uva n PRO 1360N -4.54 0.08 0.25 3.15 -0.02 -1.26 -2.26 135.00 130.39 2uva n PRO 1360Ca 0.20 0.26 0.14 0.00 -2.02 0.00 0.00 63.50 62.08 2uva n PRO 1360Cb 0.67 -1.50 0.49 0.00 -0.02 0.00 0.00 33.50 33.15 2uva n PRO 1360CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 2uva h ILE 1361N 0.00 0.10 0.19 4.25 2.04 -1.64 -3.37 117.51 119.07 2uva h ILE 1361Ca 0.00 -0.78 -0.35 0.00 1.00 0.00 0.00 64.86 64.73 2uva h ILE 1361Cb 0.14 1.71 0.01 0.00 -0.74 0.00 0.00 36.82 37.94 2uva h ILE 1361CO 0.00 0.04 -1.71 -0.26 0.00 0.00 0.00 178.15 176.23 2uva h PHE 1362N 0.00 0.73 -0.61 1.37 -1.00 -1.67 -3.45 116.94 112.31 2uva h PHE 1362Ca -0.00 -0.53 -0.17 0.00 2.81 0.00 0.00 57.97 60.08 2uva h PHE 1362Cb 0.71 -0.03 0.07 0.00 3.61 0.00 0.00 35.95 40.31 2uva h PHE 1362CO 0.00 1.64 -0.55 -2.30 -1.61 0.00 0.00 178.31 175.49 2uva n PRO 1363N -3.59 0.00 -0.21 1.51 -0.02 -1.26 -4.73 135.00 126.69 2uva n PRO 1363Ca -0.23 0.00 -0.08 0.00 -2.02 0.00 0.00 63.50 61.17 2uva n PRO 1363Cb 1.08 -0.30 0.03 0.00 -0.02 0.00 0.00 33.50 34.28 2uva n PRO 1363CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2uva h ARG 1364N -0.28 0.98 0.00 -0.52 3.08 -1.57 -3.08 114.38 113.00 2uva h ARG 1364Ca -0.13 -0.25 0.00 0.00 0.07 0.00 0.00 59.98 59.67 2uva h ARG 1364Cb 0.40 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.33 2uva h ARG 1364CO 0.08 0.91 0.00 1.63 -1.07 0.00 0.00 179.97 181.52 2uva n LYS 1365N -4.32 0.13 -0.72 0.04 5.02 -1.26 -2.84 118.16 114.19 2uva n LYS 1365Ca 0.03 0.20 0.08 0.00 -2.02 0.00 0.00 58.31 56.60 2uva n LYS 1365Cb 0.26 -1.68 0.36 0.00 -0.02 0.00 0.00 35.03 33.95 2uva n LYS 1365CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 2uva n ILE 1366N -1.90 2.48 -2.15 -0.18 5.41 -1.16 -4.86 119.36 116.99 2uva n ILE 1366Ca 0.05 -1.50 -0.42 0.00 1.00 0.00 0.00 62.75 61.87 2uva n ILE 1366Cb 0.31 -0.20 -0.03 0.00 -0.71 0.00 0.00 39.64 39.02 2uva n ILE 1366CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 176.55 178.06 2uva s ASP 1367N -1.12 6.79 0.36 4.38 -4.77 -1.13 -4.92 116.67 116.25 2uva s ASP 1367Ca 0.50 2.18 -0.09 0.00 -3.30 0.00 0.00 52.55 51.85 2uva s ASP 1367Cb 0.38 -2.56 0.03 0.00 -1.09 0.00 0.00 42.92 39.68 2uva s ASP 1367CO 0.15 -0.77 0.61 -0.83 0.70 0.00 0.00 175.17 175.03 2uva s GLY 1368N 2.11 0.95 -0.46 2.12 0.00 -1.26 -5.11 107.32 105.68 2uva s GLY 1368Ca 0.66 -1.14 -0.27 0.00 0.00 0.00 0.00 44.72 43.97 2uva s GLY 1368CO 0.27 -0.67 1.99 -0.35 0.00 0.00 0.00 173.10 174.34 2uva s ASP 1369N -3.15 5.31 0.48 1.64 -1.08 -1.26 -4.84 116.67 113.77 2uva s ASP 1369Ca 0.23 0.95 0.32 0.00 -0.52 0.00 0.00 52.55 53.53 2uva s ASP 1369Cb -0.03 -2.52 1.39 0.00 -1.46 0.00 0.00 42.92 40.30 2uva s ASP 1369CO 0.16 -2.23 1.95 0.25 0.52 0.00 0.00 175.17 175.82 2uva h LEU 1370N 16.07 0.00 0.35 -1.34 5.85 -1.92 -2.88 115.31 131.45 2uva h LEU 1370Ca -0.29 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.41 2uva h LEU 1370Cb 1.19 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.23 2uva h LEU 1370CO 1.12 0.00 -0.17 0.25 -0.34 0.00 0.00 178.44 179.30 2uva h LEU 1371N 0.00 -0.40 -3.61 2.25 5.85 -1.92 -3.05 115.31 114.43 2uva h LEU 1371Ca 0.00 -0.15 -0.10 0.00 0.84 0.00 0.00 57.88 58.47 2uva h LEU 1371Cb 0.39 0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.48 2uva h LEU 1371CO 0.00 -0.04 -0.19 0.29 -0.34 0.00 0.00 178.44 178.16 2uva n LYS 1372N -5.16 1.48 -4.02 1.25 5.02 -1.09 -4.85 118.16 110.78 2uva n LYS 1372Ca -0.10 -0.53 -0.22 0.00 -2.02 0.00 0.00 58.31 55.45 2uva n LYS 1372Cb 0.27 -1.55 -0.03 0.00 -0.02 0.00 0.00 35.03 33.70 2uva n LYS 1372CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 2uva s LEU 1373N 0.00 4.14 -0.03 -0.35 0.20 -1.16 -1.72 118.68 119.77 2uva s LEU 1373Ca 0.35 -0.03 -0.05 0.00 0.69 0.00 0.00 54.13 55.09 2uva s LEU 1373Cb 0.17 -2.68 0.01 0.00 -0.43 0.00 0.00 46.19 43.25 2uva s LEU 1373CO 0.00 -0.05 0.12 -0.69 -0.29 0.00 0.00 176.35 175.44 2uva s VAL 1374N -2.01 0.02 -0.13 1.68 1.01 -0.24 -4.93 120.40 115.80 2uva s VAL 1374Ca 0.34 -0.20 -0.29 0.00 0.00 0.00 0.00 61.98 61.82 2uva s VAL 1374Cb -0.09 -0.24 -0.02 0.00 0.00 0.00 0.00 36.38 36.03 2uva s VAL 1374CO 0.27 -0.11 1.22 -2.28 0.00 0.00 0.00 175.10 174.21 2uva s HIS 1375N -0.32 3.01 -0.25 5.22 2.46 -1.26 -0.29 115.29 123.85 2uva s HIS 1375Ca -0.04 1.12 -0.13 0.00 0.47 0.00 0.00 55.06 56.48 2uva s HIS 1375Cb -0.03 -3.46 -0.11 0.00 -0.13 0.00 0.00 32.58 28.86 2uva s HIS 1375CO 0.00 -1.47 -0.33 -0.11 -2.47 0.00 0.00 174.74 170.36 2uva n LEU 1376N 6.06 1.80 -3.94 8.88 7.94 0.11 -4.85 117.00 132.99 2uva n LEU 1376Ca 0.13 0.31 -0.08 0.00 -1.11 0.00 0.00 56.01 55.25 2uva n LEU 1376Cb 0.45 -0.75 -0.08 0.00 0.53 0.00 0.00 43.42 43.57 2uva n LEU 1376CO 0.55 0.49 -0.19 -0.44 -1.11 0.00 0.00 177.39 176.69 2uva s SER 1377N -7.23 0.24 -0.29 1.96 0.01 -1.07 -2.34 113.70 104.99 2uva s SER 1377Ca -0.35 -0.75 -0.10 0.00 1.31 0.00 0.00 55.95 56.05 2uva s SER 1377Cb 0.13 0.28 0.12 0.00 0.21 0.00 0.00 66.02 66.77 2uva s SER 1377CO 0.45 -0.67 0.64 0.21 0.41 0.00 0.00 173.24 174.28 2uva s ASN 1378N -2.81 -1.06 -0.04 2.44 3.84 -1.01 -0.66 114.94 115.64 2uva s ASN 1378Ca 0.05 1.53 0.04 0.00 0.21 0.00 0.00 52.86 54.69 2uva s ASN 1378Cb 0.05 2.15 -0.00 0.00 -0.55 0.00 0.00 41.25 42.90 2uva s ASN 1378CO -0.10 -0.22 -0.18 -0.83 -2.79 0.00 0.00 177.10 172.98 2uva s GLY 1379N 2.76 0.95 0.20 1.21 0.00 -0.67 -2.56 107.32 109.21 2uva s GLY 1379Ca -0.06 -0.73 0.05 0.00 0.00 0.00 0.00 44.72 43.99 2uva s GLY 1379CO -0.19 -0.39 0.19 -0.19 0.00 0.00 0.00 173.10 172.53 2uva s TYR 1380N 0.00 3.20 -0.30 1.90 2.02 -0.58 -0.67 117.35 122.93 2uva s TYR 1380Ca -0.03 -0.03 -0.06 0.00 -0.37 0.00 0.00 57.07 56.58 2uva s TYR 1380Cb -0.11 -1.50 0.17 0.00 -0.40 0.00 0.00 41.96 40.12 2uva s TYR 1380CO 0.02 0.51 0.69 0.50 -1.57 0.00 0.00 175.55 175.71 2uva s ARG 1381N -3.44 0.51 -0.19 -0.62 3.52 -1.05 -2.90 118.95 114.77 2uva s ARG 1381Ca 0.32 1.02 -0.20 0.00 -0.13 0.00 0.00 55.73 56.75 2uva s ARG 1381Cb -0.09 0.59 -0.03 0.00 -1.56 0.00 0.00 34.95 33.86 2uva s ARG 1381CO 0.25 -0.43 0.57 -1.64 -0.81 0.00 0.00 175.30 173.24 2uva s MET 1382N 2.85 4.22 0.22 5.12 -1.94 -0.69 -1.74 119.30 127.34 2uva s MET 1382Ca 0.10 0.52 -0.31 0.00 -1.71 0.00 0.00 55.69 54.28 2uva s MET 1382Cb -0.13 -3.55 -0.15 0.00 2.01 0.00 0.00 34.83 33.01 2uva s MET 1382CO -0.19 -0.15 1.20 0.28 -0.01 0.00 0.00 175.02 176.15 2uva n VAL 1383N 4.49 1.19 -1.71 -6.03 0.31 -0.11 -4.80 118.33 111.68 2uva n VAL 1383Ca -0.03 -0.30 -0.60 0.00 -0.01 0.00 0.00 64.34 63.40 2uva n VAL 1383Cb 0.50 -1.08 -0.08 0.00 -0.91 0.00 0.00 33.84 32.27 2uva n VAL 1383CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 2uva n PRO 1384N 1.56 0.90 0.00 5.55 -0.02 -1.26 -1.74 135.00 139.99 2uva n PRO 1384Ca 0.12 0.33 0.00 0.00 -2.02 0.00 0.00 63.50 61.93 2uva n PRO 1384Cb 0.29 -1.97 0.00 0.00 -0.02 0.00 0.00 33.50 31.79 2uva n PRO 1384CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2uva n GLY 1385N 4.06 2.98 3.64 -1.23 0.00 -1.26 -5.01 105.19 108.37 2uva n GLY 1385Ca 0.27 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.86 2uva n GLY 1385CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2uva s ALA 1386N -1.97 3.40 0.63 4.61 0.00 -0.71 -5.00 121.76 122.73 2uva s ALA 1386Ca 0.00 0.27 -0.18 0.00 0.00 0.00 0.00 51.96 52.05 2uva s ALA 1386Cb 0.00 -3.77 -0.03 0.00 0.00 0.00 0.00 23.12 19.33 2uva s ALA 1386CO 0.00 -1.71 1.14 0.39 0.00 0.00 0.00 175.76 175.58 2uva n GLU 1387N 7.28 0.99 -0.50 0.00 1.02 -1.26 -4.86 120.64 123.31 2uva n GLU 1387Ca 0.16 0.39 -0.23 0.00 -0.02 0.00 0.00 57.16 57.45 2uva n GLU 1387Cb 0.46 -2.36 0.21 0.00 -0.02 0.00 0.00 31.44 29.72 2uva n GLU 1387CO 0.00 0.00 0.00 -2.30 1.18 0.00 0.00 177.13 176.01 2uva n PRO 1388N -1.54 -3.42 -2.45 3.49 -0.02 -1.26 -4.92 135.00 124.88 2uva n PRO 1388Ca 0.15 -1.24 -0.42 0.00 -2.02 0.00 0.00 63.50 59.97 2uva n PRO 1388Cb 0.48 -1.36 -0.03 0.00 -0.02 0.00 0.00 33.50 32.58 2uva n PRO 1388CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2uva s LEU 1389N 0.00 4.32 0.43 2.45 1.43 -1.26 -4.93 118.68 121.13 2uva s LEU 1389Ca 0.53 1.90 0.07 0.00 -1.03 0.00 0.00 54.13 55.60 2uva s LEU 1389Cb -0.07 -3.57 -0.01 0.00 0.03 0.00 0.00 46.19 42.57 2uva s LEU 1389CO 0.42 -0.53 0.38 -0.54 0.23 0.00 0.00 176.35 176.32 2uva s LYS 1390N 1.73 2.48 -0.01 1.70 1.02 -1.26 0.13 119.74 125.53 2uva s LYS 1390Ca 0.57 -1.60 -0.22 0.00 0.02 0.00 0.00 55.97 54.74 2uva s LYS 1390Cb -0.27 -2.34 -0.21 0.00 -0.52 0.00 0.00 37.83 34.50 2uva s LYS 1390CO 0.25 -0.25 1.14 0.28 -0.92 0.00 0.00 175.35 175.85 2uva h VAL 1391N 1.00 1.45 0.00 3.17 2.07 -1.84 -3.26 116.25 118.84 2uva h VAL 1391Ca -0.41 -1.82 0.00 0.00 0.82 0.00 0.00 66.70 65.30 2uva h VAL 1391Cb 1.27 2.46 0.00 0.00 -1.52 0.00 0.00 31.29 33.50 2uva h VAL 1391CO 0.57 0.52 0.00 0.61 0.02 0.00 0.00 177.57 179.29 2uva n GLY 1392N 0.82 1.17 3.89 2.17 0.00 -1.26 -3.33 105.19 108.64 2uva n GLY 1392Ca -0.09 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.61 2uva n GLY 1392CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2uva s ASP 1393N 0.96 6.54 -0.19 1.61 1.11 -1.23 -4.95 116.67 120.52 2uva s ASP 1393Ca 0.00 0.69 0.01 0.00 0.18 0.00 0.00 52.55 53.44 2uva s ASP 1393Cb 0.00 -2.13 0.03 0.00 1.07 0.00 0.00 42.92 41.89 2uva s ASP 1393CO 0.00 0.04 -0.15 -0.69 1.18 0.00 0.00 175.17 175.55 2uva s VAL 1394N -1.66 1.87 -0.13 -1.27 1.01 -1.25 -2.19 120.40 116.79 2uva s VAL 1394Ca 0.41 -1.01 0.02 0.00 0.00 0.00 0.00 61.98 61.41 2uva s VAL 1394Cb -0.12 -1.82 0.01 0.00 0.00 0.00 0.00 36.38 34.45 2uva s VAL 1394CO 0.23 0.34 -0.20 -0.76 0.00 0.00 0.00 175.10 174.71 2uva s LEU 1395N 1.33 1.98 -0.36 3.92 1.43 0.77 -4.18 118.68 123.56 2uva s LEU 1395Ca 0.01 -0.54 -0.14 0.00 -1.03 0.00 0.00 54.13 52.43 2uva s LEU 1395Cb -0.15 -1.32 -0.01 0.00 0.03 0.00 0.00 46.19 44.74 2uva s LEU 1395CO -0.10 0.06 0.27 -1.81 0.23 0.00 0.00 176.35 175.00 2uva s ASP 1396N 0.85 6.09 -0.58 2.29 1.11 0.33 -1.80 116.67 124.94 2uva s ASP 1396Ca -0.08 -0.54 -0.21 0.00 0.18 0.00 0.00 52.55 51.90 2uva s ASP 1396Cb -0.15 -2.15 0.07 0.00 1.07 0.00 0.00 42.92 41.76 2uva s ASP 1396CO -0.01 -0.31 0.80 -0.89 1.18 0.00 0.00 175.17 175.95 2uva s THR 1397N 1.74 4.61 -0.07 -1.27 2.01 -1.14 -2.02 115.64 119.49 2uva s THR 1397Ca 0.06 -0.44 -0.00 0.00 0.31 0.00 0.00 61.69 61.62 2uva s THR 1397Cb -0.18 -4.51 -0.03 0.00 0.01 0.00 0.00 72.50 67.79 2uva s THR 1397CO 0.11 -1.14 -0.03 -0.89 -0.69 0.00 0.00 174.62 171.97 2uva s THR 1398N 3.31 4.00 0.05 -0.82 2.01 -0.81 -0.11 115.64 123.26 2uva s THR 1398Ca 0.19 -0.40 -0.07 0.00 0.31 0.00 0.00 61.69 61.73 2uva s THR 1398Cb -0.19 -2.67 -0.01 0.00 0.01 0.00 0.00 72.50 69.65 2uva s THR 1398CO 0.11 0.58 0.12 0.00 -0.69 0.00 0.00 174.62 174.75 2uva s ALA 1399N -0.87 -0.12 0.11 7.40 0.00 -0.69 0.19 121.76 127.78 2uva s ALA 1399Ca 0.13 -0.54 -0.13 0.00 0.00 0.00 0.00 51.96 51.42 2uva s ALA 1399Cb -0.11 0.29 0.02 0.00 0.00 0.00 0.00 23.12 23.32 2uva s ALA 1399CO 0.03 -0.36 0.32 1.14 0.00 0.00 0.00 175.76 176.89 2uva s GLN 1400N -2.87 0.97 -0.65 0.00 0.00 -0.83 0.18 119.66 116.46 2uva s GLN 1400Ca -0.03 -0.78 -0.21 0.00 -0.00 0.00 0.00 55.36 54.34 2uva s GLN 1400Cb 0.00 0.42 0.09 0.00 0.00 0.00 0.00 33.01 33.52 2uva s GLN 1400CO -0.06 -0.35 0.88 0.42 0.00 0.00 0.00 175.29 176.18 2uva s ILE 1401N -3.73 4.52 -0.20 3.63 1.01 -1.26 -1.41 121.20 123.75 2uva s ILE 1401Ca 0.03 -0.65 0.29 0.00 0.00 0.00 0.00 60.65 60.32 2uva s ILE 1401Cb 0.03 -4.62 0.33 0.00 0.01 0.00 0.00 42.46 38.21 2uva s ILE 1401CO -0.11 -1.35 1.85 0.78 0.00 0.00 0.00 174.94 176.11 2uva h ASN 1402N 9.39 0.00 0.00 3.58 2.35 -1.23 -3.46 115.58 126.22 2uva h ASN 1402Ca -0.27 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.48 2uva h ASN 1402Cb 1.07 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.44 2uva h ASN 1402CO 1.15 0.00 0.00 0.00 -1.65 0.00 0.00 177.43 176.93 2uva n ALA 1403N -1.97 0.00 -3.70 -0.83 0.00 -1.20 -0.93 120.51 111.89 2uva n ALA 1403Ca 0.02 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.18 2uva n ALA 1403Cb 0.31 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.60 2uva n ALA 1403CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2uva s VAL 1404N -1.16 0.47 0.03 0.00 1.01 -0.79 0.14 120.40 120.10 2uva s VAL 1404Ca 0.00 -0.73 0.05 0.00 0.00 0.00 0.00 61.98 61.30 2uva s VAL 1404Cb 0.00 -1.12 -0.02 0.00 0.00 0.00 0.00 36.38 35.24 2uva s VAL 1404CO 0.00 -0.38 -0.14 0.27 0.00 0.00 0.00 175.10 174.85 2uva s ILE 1405N 1.86 1.08 -0.74 2.22 -4.36 -0.56 -1.47 121.20 119.24 2uva s ILE 1405Ca 0.03 -0.90 -0.15 0.00 -0.26 0.00 0.00 60.65 59.37 2uva s ILE 1405Cb -0.17 -0.97 0.18 0.00 1.25 0.00 0.00 42.46 42.76 2uva s ILE 1405CO -0.16 0.06 0.71 0.54 0.24 0.00 0.00 174.94 176.33 2uva s ASN 1406N -0.96 6.57 1.07 4.36 2.20 -1.26 -0.86 114.94 126.05 2uva s ASN 1406Ca 0.02 -2.34 -0.04 0.00 -0.94 0.00 0.00 52.86 49.55 2uva s ASN 1406Cb -0.07 -2.22 0.06 0.00 -2.00 0.00 0.00 41.25 37.02 2uva s ASN 1406CO 0.01 -0.70 0.19 0.00 -2.94 0.00 0.00 177.10 173.66 2uva n GLN 1407N 4.58 -1.85 -0.00 3.55 6.02 -1.14 -4.94 117.38 123.59 2uva n GLN 1407Ca 0.05 -0.32 -0.17 0.00 -0.01 0.00 0.00 57.00 56.56 2uva n GLN 1407Cb 0.45 -0.33 -0.13 0.00 1.02 0.00 0.00 30.24 31.25 2uva n GLN 1407CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 177.06 175.61 2uva h ASP 1408N -1.71 0.31 -0.84 1.08 3.45 -1.96 -3.33 116.42 113.42 2uva h ASP 1408Ca -0.08 -0.89 0.19 0.00 0.43 0.00 0.00 57.03 56.68 2uva h ASP 1408Cb 0.25 -0.10 -0.11 0.00 -0.56 0.00 0.00 39.33 38.81 2uva h ASP 1408CO 0.05 1.17 0.35 0.77 -1.57 0.00 0.00 179.24 180.00 2uva h SER 1409N -0.51 0.29 0.00 6.45 4.64 -1.94 -3.44 113.55 119.04 2uva h SER 1409Ca -0.07 0.14 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 2uva h SER 1409Cb 1.28 0.12 0.00 0.00 -0.31 0.00 0.00 62.40 63.50 2uva h SER 1409CO 0.09 0.04 0.00 0.61 -0.87 0.00 0.00 176.83 176.69 2uva n GLY 1410N -1.34 2.17 3.23 -0.77 0.00 -1.23 -1.97 105.19 105.29 2uva n GLY 1410Ca 0.19 0.04 -0.27 0.00 0.00 0.00 0.00 46.02 45.98 2uva n GLY 1410CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2uva s LYS 1411N 4.63 1.67 0.10 1.61 2.20 0.17 -2.90 119.74 127.22 2uva s LYS 1411Ca 0.00 -0.78 0.09 0.00 -0.36 0.00 0.00 55.97 54.91 2uva s LYS 1411Cb 0.00 -1.64 -0.03 0.00 -1.51 0.00 0.00 37.83 34.64 2uva s LYS 1411CO 0.00 0.45 -0.22 1.41 -0.36 0.00 0.00 175.35 176.63 2uva s MET 1412N -0.60 1.20 -0.07 4.03 -2.45 -0.04 -0.26 119.30 121.11 2uva s MET 1412Ca 0.08 -1.17 0.02 0.00 -1.25 0.00 0.00 55.69 53.37 2uva s MET 1412Cb -0.08 -1.49 0.01 0.00 1.25 0.00 0.00 34.83 34.52 2uva s MET 1412CO -0.00 0.35 -0.12 0.08 1.05 0.00 0.00 175.02 176.37 2uva s VAL 1413N -1.11 1.16 -0.25 10.11 1.01 -0.59 -1.49 120.40 129.24 2uva s VAL 1413Ca 0.08 -0.49 -0.07 0.00 0.00 0.00 0.00 61.98 61.49 2uva s VAL 1413Cb -0.10 -1.06 -0.03 0.00 0.00 0.00 0.00 36.38 35.19 2uva s VAL 1413CO 0.04 0.36 0.07 -0.70 0.00 0.00 0.00 175.10 174.88 2uva s GLU 1414N 0.69 3.66 -0.25 2.72 2.12 0.38 -1.35 118.70 126.68 2uva s GLU 1414Ca -0.14 -0.47 -0.06 0.00 0.36 0.00 0.00 54.97 54.65 2uva s GLU 1414Cb -0.16 -3.34 -0.02 0.00 0.26 0.00 0.00 34.13 30.88 2uva s GLU 1414CO 0.03 -0.19 0.05 0.08 -0.54 0.00 0.00 175.26 174.69 2uva s VAL 1415N 1.62 4.05 -0.34 3.70 1.01 0.66 -0.63 120.40 130.47 2uva s VAL 1415Ca 0.06 -0.31 -0.11 0.00 0.00 0.00 0.00 61.98 61.63 2uva s VAL 1415Cb -0.15 -2.91 0.00 0.00 0.00 0.00 0.00 36.38 33.33 2uva s VAL 1415CO 0.04 0.33 0.18 0.00 0.00 0.00 0.00 175.10 175.65 2uva s GLY 1417N 1.61 2.16 -0.15 0.00 0.00 0.28 -1.96 107.32 109.25 2uva s GLY 1417Ca 0.04 -0.84 0.00 0.00 0.00 0.00 0.00 44.72 43.92 2uva s GLY 1417CO 0.07 -0.79 -0.10 -0.51 0.00 0.00 0.00 173.10 171.76 2uva s THR 1418N -1.43 1.33 -0.43 0.90 -4.23 0.13 -0.83 115.64 111.08 2uva s THR 1418Ca 0.32 -0.56 -0.20 0.00 -1.18 0.00 0.00 61.69 60.06 2uva s THR 1418Cb -0.13 -1.33 0.02 0.00 1.34 0.00 0.00 72.50 72.40 2uva s THR 1418CO 0.24 0.34 0.60 -0.76 -0.54 0.00 0.00 174.62 174.50 2uva s LEU 1419N 1.57 4.57 0.15 4.79 1.43 -0.71 -1.93 118.68 128.55 2uva s LEU 1419Ca 0.04 -0.40 0.01 0.00 -1.03 0.00 0.00 54.13 52.75 2uva s LEU 1419Cb -0.13 -2.65 -0.04 0.00 0.03 0.00 0.00 46.19 43.39 2uva s LEU 1419CO -0.09 -0.73 0.30 -0.54 0.23 0.00 0.00 176.35 175.52 2uva s LYS 1420N 2.66 3.47 -0.15 1.70 1.02 -0.86 -0.17 119.74 127.40 2uva s LYS 1420Ca 0.20 -0.49 -0.07 0.00 0.02 0.00 0.00 55.97 55.64 2uva s LYS 1420Cb -0.15 -2.94 0.07 0.00 -0.52 0.00 0.00 37.83 34.29 2uva s LYS 1420CO 0.18 0.50 0.34 0.50 -0.92 0.00 0.00 175.35 175.95 2uva s ARG 1421N -3.12 0.27 -1.37 1.68 3.52 0.16 -0.52 118.95 119.59 2uva s ARG 1421Ca 0.36 0.78 -0.09 0.00 -0.13 0.00 0.00 55.73 56.66 2uva s ARG 1421Cb -0.11 0.04 0.01 0.00 -1.56 0.00 0.00 34.95 33.33 2uva s ARG 1421CO 0.28 -0.22 1.13 -0.25 -0.81 0.00 0.00 175.30 175.44 2uva n ASP 1422N 4.83 -6.35 0.00 -2.12 8.00 -1.26 -2.18 116.55 117.46 2uva n ASP 1422Ca -0.16 -0.51 0.00 0.00 0.71 0.00 0.00 54.79 54.83 2uva n ASP 1422Cb 0.52 -4.99 0.00 0.00 -0.02 0.00 0.00 41.12 36.62 2uva n ASP 1422CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2uva n GLY 1423N -1.97 2.34 3.40 0.44 0.00 -1.26 -4.98 105.19 103.17 2uva n GLY 1423Ca -0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 2uva n GLY 1423CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2uva s LYS 1424N -0.02 3.38 0.22 1.61 1.02 -0.93 -5.06 119.74 119.95 2uva s LYS 1424Ca 0.00 -0.65 -0.31 0.00 0.02 0.00 0.00 55.97 55.02 2uva s LYS 1424Cb 0.00 -2.66 -0.11 0.00 -0.52 0.00 0.00 37.83 34.53 2uva s LYS 1424CO 0.00 0.25 1.65 -2.14 -0.92 0.00 0.00 175.35 174.19 2uva s PRO 1425N 0.27 4.15 -0.14 -1.68 0.02 -1.26 -0.66 135.00 135.69 2uva s PRO 1425Ca -0.08 2.53 0.04 0.00 0.02 0.00 0.00 61.00 63.51 2uva s PRO 1425Cb -0.15 -3.08 -0.11 0.00 0.02 0.00 0.00 34.50 31.17 2uva s PRO 1425CO 0.05 -0.68 -0.09 0.28 -0.33 0.00 0.00 177.00 176.23 2uva n VAL 1426N 3.58 0.85 -3.64 3.83 0.31 0.75 -4.82 118.33 119.20 2uva n VAL 1426Ca 0.14 -0.38 -0.07 0.00 -0.01 0.00 0.00 64.34 64.02 2uva n VAL 1426Cb 0.37 -0.94 -0.07 0.00 -0.91 0.00 0.00 33.84 32.28 2uva n VAL 1426CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2uva s MET 1427N -2.30 0.61 -0.29 5.55 0.23 -1.20 -0.93 119.30 120.97 2uva s MET 1427Ca -0.16 0.93 -0.15 0.00 -1.03 0.00 0.00 55.69 55.27 2uva s MET 1427Cb 0.05 0.19 -0.03 0.00 -1.53 0.00 0.00 34.83 33.51 2uva s MET 1427CO 0.38 -0.11 0.35 0.71 -2.03 0.00 0.00 175.02 174.33 2uva s TYR 1428N 1.09 3.23 -0.53 3.16 2.02 -0.71 -1.73 117.35 123.88 2uva s TYR 1428Ca -0.06 0.24 -0.17 0.00 -0.37 0.00 0.00 57.07 56.72 2uva s TYR 1428Cb -0.05 -2.59 0.10 0.00 -0.40 0.00 0.00 41.96 39.03 2uva s TYR 1428CO -0.12 -0.29 0.52 0.08 -1.57 0.00 0.00 175.55 174.17 2uva s VAL 1429N 2.03 5.11 0.49 0.71 1.01 -0.01 -2.53 120.40 127.21 2uva s VAL 1429Ca 0.13 -1.18 -0.07 0.00 0.00 0.00 0.00 61.98 60.87 2uva s VAL 1429Cb -0.16 -4.30 -0.04 0.00 0.00 0.00 0.00 36.38 31.88 2uva s VAL 1429CO 0.11 -0.83 0.82 -0.89 0.00 0.00 0.00 175.10 174.31 2uva s THR 1430N 1.92 4.87 -0.21 3.92 2.01 0.15 -0.56 115.64 127.74 2uva s THR 1430Ca 0.06 0.35 -0.28 0.00 0.31 0.00 0.00 61.69 62.13 2uva s THR 1430Cb -0.26 -3.85 0.12 0.00 0.01 0.00 0.00 72.50 68.52 2uva s THR 1430CO 0.06 -0.85 1.01 -0.55 -0.69 0.00 0.00 174.62 173.60 2uva s SER 1431N -3.98 -0.41 -0.02 3.53 0.15 -0.31 -1.67 113.70 110.99 2uva s SER 1431Ca 0.49 0.60 0.06 0.00 0.70 0.00 0.00 55.95 57.80 2uva s SER 1431Cb -0.10 0.54 -0.01 0.00 -1.71 0.00 0.00 66.02 64.74 2uva s SER 1431CO 0.44 -0.27 -0.20 -1.10 1.20 0.00 0.00 173.24 173.32 2uva s GLN 1432N -0.55 1.71 0.15 5.44 -0.21 0.16 -0.25 119.66 126.11 2uva s GLN 1432Ca 0.00 -0.71 0.09 0.00 0.02 0.00 0.00 55.36 54.76 2uva s GLN 1432Cb -0.02 -1.61 -0.04 0.00 1.00 0.00 0.00 33.01 32.34 2uva s GLN 1432CO -0.02 0.40 -0.21 -0.06 -2.12 0.00 0.00 175.29 173.29 2uva s PHE 1433N -0.38 1.94 -0.33 0.91 0.08 -0.46 -0.71 117.98 119.03 2uva s PHE 1433Ca 0.05 -0.43 0.02 0.00 0.12 0.00 0.00 56.93 56.69 2uva s PHE 1433Cb -0.09 -1.00 0.10 0.00 -0.57 0.00 0.00 43.02 41.47 2uva s PHE 1433CO -0.00 0.32 0.09 -1.17 -0.10 0.00 0.00 175.22 174.36 2uva s LEU 1434N -2.38 3.41 -1.08 -0.37 2.96 0.60 -1.54 118.68 120.29 2uva s LEU 1434Ca 0.14 -1.94 -0.23 0.00 -0.22 0.00 0.00 54.13 51.88 2uva s LEU 1434Cb -0.08 -1.22 -0.06 0.00 0.50 0.00 0.00 46.19 45.32 2uva s LEU 1434CO 0.06 -0.39 1.92 -0.31 -1.32 0.00 0.00 176.35 176.31 2uva s TYR 1435N 1.21 1.94 0.30 5.38 4.12 0.64 -1.08 117.35 129.85 2uva s TYR 1435Ca 0.11 0.43 -0.29 0.00 0.02 0.00 0.00 57.07 57.33 2uva s TYR 1435Cb -0.18 -4.06 -0.10 0.00 -1.52 0.00 0.00 41.96 36.10 2uva s TYR 1435CO -0.16 -1.45 1.20 -0.98 0.02 0.00 0.00 175.55 174.18 2uva s ARG 1436N 6.56 4.51 0.00 -0.62 1.70 -0.70 0.45 118.95 130.85 2uva s ARG 1436Ca 0.68 2.00 0.00 0.00 -0.47 0.00 0.00 55.73 57.93 2uva s ARG 1436Cb -0.03 -3.14 0.00 0.00 -0.57 0.00 0.00 34.95 31.22 2uva s ARG 1436CO 0.07 0.02 0.00 0.41 -1.08 0.00 0.00 175.30 174.72 2uva n GLY 1437N 1.05 0.48 3.59 3.88 0.00 -0.83 -4.85 105.19 108.50 2uva n GLY 1437Ca -0.00 -1.74 -0.37 0.00 0.00 0.00 0.00 46.02 43.91 2uva n GLY 1437CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2uva s VAL 1438N -2.40 5.07 -0.01 1.61 1.01 -1.26 -3.50 120.40 120.92 2uva s VAL 1438Ca 0.00 0.08 0.03 0.00 0.00 0.00 0.00 61.98 62.10 2uva s VAL 1438Cb 0.00 -3.38 -0.01 0.00 0.00 0.00 0.00 36.38 32.99 2uva s VAL 1438CO 0.00 0.32 -0.11 -0.31 0.00 0.00 0.00 175.10 175.00 2uva s TYR 1439N 1.39 0.97 -0.06 5.22 1.51 -1.26 -5.02 117.35 120.10 2uva s TYR 1439Ca 0.07 -0.18 0.21 0.00 -1.01 0.00 0.00 57.07 56.16 2uva s TYR 1439Cb -0.15 -0.62 0.42 0.00 -0.11 0.00 0.00 41.96 41.50 2uva s TYR 1439CO 0.07 -0.02 1.18 2.41 -1.11 0.00 0.00 175.55 178.08 2uva n THR 1440N 2.81 0.62 -1.18 -0.71 -1.04 -1.26 -4.89 114.28 108.63 2uva n THR 1440Ca -0.14 -1.61 -0.18 0.00 -2.04 0.00 0.00 64.05 60.08 2uva n THR 1440Cb 0.56 0.65 -0.09 0.00 -1.82 0.00 0.00 70.33 69.63 2uva n THR 1440CO 0.00 0.00 0.00 -0.90 -0.64 0.00 0.00 175.07 173.53 2uva n ASP 1441N 0.04 5.91 0.17 8.00 5.75 -1.26 -4.62 116.55 130.54 2uva n ASP 1441Ca 0.10 -2.85 0.12 0.00 -0.01 0.00 0.00 54.79 52.14 2uva n ASP 1441Cb 1.01 -1.28 0.61 0.00 -1.03 0.00 0.00 41.12 40.43 2uva n ASP 1441CO 0.00 0.00 0.00 1.88 -0.11 0.00 0.00 177.20 178.97 2uva h TYR 1442N 2.73 0.00 -0.09 2.11 -1.99 -1.90 -1.76 116.97 116.07 2uva h TYR 1442Ca 0.28 0.00 0.02 0.00 2.00 0.00 0.00 58.73 61.03 2uva h TYR 1442Cb 1.07 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 39.80 2uva h TYR 1442CO 1.45 0.00 0.29 1.49 -0.00 0.00 0.00 178.16 181.39 2uva h GLU 1443N 0.00 0.00 0.00 4.88 4.57 -1.85 -2.64 114.58 119.54 2uva h GLU 1443Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 2uva h GLU 1443Cb 0.03 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.62 2uva h GLU 1443CO 0.00 0.00 -0.03 0.09 -1.18 0.00 0.00 179.01 177.89 2uva n ASN 1444N -3.15 1.34 -4.83 1.04 3.02 -0.66 -5.04 115.26 106.99 2uva n ASN 1444Ca -0.00 -1.86 -0.35 0.00 -0.03 0.00 0.00 54.58 52.33 2uva n ASN 1444Cb 0.37 -0.07 -0.06 0.00 -0.61 0.00 0.00 39.78 39.41 2uva n ASN 1444CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 2uva s THR 1445N -0.89 4.69 0.09 3.41 -1.32 -1.00 -4.83 115.64 115.80 2uva s THR 1445Ca 0.04 1.07 -0.26 0.00 -1.21 0.00 0.00 61.69 61.33 2uva s THR 1445Cb 0.04 -3.79 0.09 0.00 -1.51 0.00 0.00 72.50 67.32 2uva s THR 1445CO 0.00 0.19 1.10 0.72 -2.21 0.00 0.00 174.62 174.43 2uva s PHE 1446N -1.54 -0.05 -0.27 9.09 -0.12 -0.54 -3.13 117.98 121.42 2uva s PHE 1446Ca 0.42 -0.20 -0.22 0.00 -0.05 0.00 0.00 56.93 56.88 2uva s PHE 1446Cb -0.15 0.62 0.08 0.00 -0.63 0.00 0.00 43.02 42.93 2uva s PHE 1446CO 0.20 -0.63 0.72 -1.14 -0.05 0.00 0.00 175.22 174.32 2uva s GLN 1447N -2.68 0.78 -0.50 1.99 0.74 0.35 -1.89 119.66 118.45 2uva s GLN 1447Ca 0.16 1.06 -0.07 0.00 0.05 0.00 0.00 55.36 56.57 2uva s GLN 1447Cb 0.00 0.31 0.13 0.00 1.10 0.00 0.00 33.01 34.55 2uva s GLN 1447CO 0.01 -0.12 0.35 1.03 -0.55 0.00 0.00 175.29 176.01 2uva s ARG 1448N 0.83 2.43 0.18 1.67 0.52 -0.10 -1.27 118.95 123.20 2uva s ARG 1448Ca -0.04 -1.93 -0.04 0.00 -0.52 0.00 0.00 55.73 53.20 2uva s ARG 1448Cb -0.05 -3.84 -0.05 0.00 0.52 0.00 0.00 34.95 31.53 2uva s ARG 1448CO -0.07 -1.17 0.42 -1.59 0.02 0.00 0.00 175.30 172.92 2uva s LYS 1449N 1.03 3.62 -0.45 3.54 -2.85 -0.79 -4.89 119.74 118.95 2uva s LYS 1449Ca 0.09 -0.09 -0.16 0.00 -1.00 0.00 0.00 55.97 54.81 2uva s LYS 1449Cb -0.24 -2.80 0.05 0.00 -2.06 0.00 0.00 37.83 32.78 2uva s LYS 1449CO -0.02 0.41 0.40 -0.51 0.10 0.00 0.00 175.35 175.72 2uva s ASP 1450N -2.66 6.15 0.48 0.03 1.11 -1.26 -1.78 116.67 118.74 2uva s ASP 1450Ca 0.42 -1.04 -0.24 0.00 0.18 0.00 0.00 52.55 51.86 2uva s ASP 1450Cb -0.12 -2.20 -0.07 0.00 1.07 0.00 0.00 42.92 41.60 2uva s ASP 1450CO 0.26 -0.61 1.39 -0.62 1.18 0.00 0.00 175.17 176.77 2uva n GLU 1451N 5.37 2.03 -1.68 8.23 -0.58 -0.39 -4.87 120.64 128.75 2uva n GLU 1451Ca -0.10 0.73 -0.45 0.00 -0.42 0.00 0.00 57.16 56.91 2uva n GLU 1451Cb 0.45 -2.58 -0.04 0.00 -0.57 0.00 0.00 31.44 28.70 2uva n GLU 1451CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 2uva n VAL 1452N -0.49 0.12 -1.65 2.62 0.31 -1.26 -4.26 118.33 113.72 2uva n VAL 1452Ca 0.07 -0.02 -0.47 0.00 -0.01 0.00 0.00 64.34 63.91 2uva n VAL 1452Cb 0.42 -1.71 -0.04 0.00 -0.91 0.00 0.00 33.84 31.60 2uva n VAL 1452CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 2uva n PRO 1453N 4.19 1.95 -4.17 5.55 -0.02 -1.26 -4.76 135.00 136.49 2uva n PRO 1453Ca 0.18 0.70 -0.14 0.00 -2.02 0.00 0.00 63.50 62.22 2uva n PRO 1453Cb 0.31 -2.44 -0.11 0.00 -0.02 0.00 0.00 33.50 31.24 2uva n PRO 1453CO 0.00 0.00 0.00 -1.64 1.98 0.00 0.00 175.50 175.84 2uva s MET 1454N 0.74 0.83 -0.30 -0.52 -1.94 -0.86 -2.28 119.30 114.96 2uva s MET 1454Ca 0.79 -1.13 0.03 0.00 -1.71 0.00 0.00 55.69 53.67 2uva s MET 1454Cb -0.73 -0.52 0.08 0.00 2.01 0.00 0.00 34.83 35.68 2uva s MET 1454CO 0.40 0.08 -0.01 -1.14 -0.01 0.00 0.00 175.02 174.35 2uva s GLN 1455N -2.72 1.65 -0.22 2.03 0.74 0.31 -0.03 119.66 121.42 2uva s GLN 1455Ca 0.04 -1.54 -0.09 0.00 0.05 0.00 0.00 55.36 53.83 2uva s GLN 1455Cb -0.03 -2.93 -0.04 0.00 1.10 0.00 0.00 33.01 31.11 2uva s GLN 1455CO -0.00 -0.79 0.11 -1.17 -0.55 0.00 0.00 175.29 172.88 2uva s LEU 1456N 1.09 3.89 -0.42 3.68 0.20 0.23 -1.78 118.68 125.56 2uva s LEU 1456Ca 0.03 0.05 -0.11 0.00 0.69 0.00 0.00 54.13 54.79 2uva s LEU 1456Cb -0.19 -2.02 0.07 0.00 -0.43 0.00 0.00 46.19 43.62 2uva s LEU 1456CO -0.08 0.10 0.28 -2.28 -0.29 0.00 0.00 176.35 174.07 2uva s HIS 1457N 0.84 3.30 0.09 5.38 5.65 -1.26 0.25 115.29 129.53 2uva s HIS 1457Ca 0.05 -1.28 -0.30 0.00 0.25 0.00 0.00 55.06 53.78 2uva s HIS 1457Cb -0.13 -2.90 -0.06 0.00 -1.18 0.00 0.00 32.58 28.31 2uva s HIS 1457CO 0.02 -0.80 1.15 0.42 -0.65 0.00 0.00 174.74 174.89 2uva s ILE 1458N 1.50 4.07 0.00 0.89 1.09 -1.22 -4.89 121.20 122.64 2uva s ILE 1458Ca 0.03 1.55 0.00 0.00 -1.10 0.00 0.00 60.65 61.13 2uva s ILE 1458Cb -0.23 -4.00 0.00 0.00 -1.06 0.00 0.00 42.46 37.18 2uva s ILE 1458CO 0.04 0.16 0.00 0.00 -0.10 0.00 0.00 174.94 175.04 2uva n ALA 1459N 3.51 0.31 -2.74 9.38 0.00 -1.25 -4.43 120.51 125.30 2uva n ALA 1459Ca 0.07 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.34 2uva n ALA 1459Cb 0.47 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.80 2uva n ALA 1459CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2uva s THR 1460N -0.31 0.98 0.60 0.00 2.01 -1.26 -4.92 115.64 112.73 2uva s THR 1460Ca 0.00 -1.25 0.29 0.00 0.31 0.00 0.00 61.69 61.04 2uva s THR 1460Cb 0.00 -0.96 0.37 0.00 0.01 0.00 0.00 72.50 71.92 2uva s THR 1460CO 0.00 -0.26 1.92 -0.65 -0.69 0.00 0.00 174.62 174.94 2uva h PRO 1461N 4.34 0.00 -0.25 4.92 0.11 -1.99 0.14 132.00 139.28 2uva h PRO 1461Ca -0.40 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.70 2uva h PRO 1461Cb 1.19 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 2uva h PRO 1461CO 0.40 0.00 0.08 0.37 -0.21 0.00 0.00 178.00 178.65 2uva h GLN 1462N 0.00 0.38 0.52 1.05 4.15 -1.98 0.69 115.11 119.93 2uva h GLN 1462Ca 0.17 -0.08 -0.03 0.00 0.77 0.00 0.00 58.65 59.48 2uva h GLN 1462Cb 1.02 -0.06 0.01 0.00 0.21 0.00 0.00 27.48 28.66 2uva h GLN 1462CO -0.00 0.45 -0.25 -0.44 -1.93 0.00 0.00 178.83 176.66 2uva h ASP 1463N 0.24 -0.59 -0.46 -0.69 5.19 -1.14 -2.62 116.42 116.35 2uva h ASP 1463Ca 0.08 -0.02 0.06 0.00 -0.62 0.00 0.00 57.03 56.54 2uva h ASP 1463Cb 0.22 0.15 -0.06 0.00 0.18 0.00 0.00 39.33 39.83 2uva h ASP 1463CO -0.00 -0.36 0.14 0.25 -3.12 0.00 0.00 179.24 176.16 2uva h LEU 1464N -0.79 0.13 -2.13 1.55 7.12 -1.36 -1.46 115.31 118.37 2uva h LEU 1464Ca -0.07 0.06 0.05 0.00 0.13 0.00 0.00 57.88 58.05 2uva h LEU 1464Cb 0.57 0.06 -0.01 0.00 -0.53 0.00 0.00 40.66 40.76 2uva h LEU 1464CO 0.12 0.10 0.14 0.00 -0.13 0.00 0.00 178.44 178.66 2uva h ALA 1465N 1.32 1.99 0.19 1.25 0.00 -0.77 0.00 119.26 123.24 2uva h ALA 1465Ca 0.22 -0.01 -0.34 0.00 0.00 0.00 0.00 54.91 54.79 2uva h ALA 1465Cb 0.24 0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.06 2uva h ALA 1465CO -0.24 -0.22 -1.61 0.28 0.00 0.00 0.00 179.25 177.46 2uva h VAL 1466N 0.00 1.11 0.00 0.00 2.07 -0.97 -1.87 116.25 116.58 2uva h VAL 1466Ca 0.08 -2.65 -0.01 0.00 0.82 0.00 0.00 66.70 64.94 2uva h VAL 1466Cb 0.35 2.85 -0.00 0.00 -1.52 0.00 0.00 31.29 32.97 2uva h VAL 1466CO -0.00 0.84 -0.03 0.25 0.02 0.00 0.00 177.57 178.65 2uva h LEU 1467N 0.11 0.00 0.06 2.57 7.12 -0.27 -1.91 115.31 122.99 2uva h LEU 1467Ca -0.29 0.00 -0.33 0.00 0.13 0.00 0.00 57.88 57.39 2uva h LEU 1467Cb 2.10 0.00 -0.04 0.00 -0.53 0.00 0.00 40.66 42.19 2uva h LEU 1467CO 0.21 0.03 -1.91 0.54 -0.13 0.00 0.00 178.44 177.17 2uva n ARG 1468N -3.17 0.70 0.17 1.25 1.74 -0.11 -4.17 116.66 113.06 2uva n ARG 1468Ca -0.01 0.26 0.13 0.00 -0.77 0.00 0.00 57.85 57.46 2uva n ARG 1468Cb 0.25 -1.73 0.61 0.00 -1.02 0.00 0.00 32.46 30.57 2uva n ARG 1468CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 2uva h SER 1469N 0.03 0.00 -3.88 0.55 4.64 -0.55 -3.44 113.55 110.90 2uva h SER 1469Ca -0.38 0.00 -0.51 0.00 -0.47 0.00 0.00 61.79 60.44 2uva h SER 1469Cb 2.03 0.00 0.04 0.00 -0.31 0.00 0.00 62.40 64.16 2uva h SER 1469CO 0.07 0.00 0.52 -0.54 -0.87 0.00 0.00 176.83 176.01 2uva s LYS 1470N -3.52 4.33 0.14 4.77 -0.14 -0.96 -4.94 119.74 119.42 2uva s LYS 1470Ca 0.00 1.89 -0.12 0.00 -1.36 0.00 0.00 55.97 56.39 2uva s LYS 1470Cb 0.08 -2.93 -0.01 0.00 -1.68 0.00 0.00 37.83 33.29 2uva s LYS 1470CO 0.31 -0.10 1.55 0.93 -0.76 0.00 0.00 175.35 177.28 2uva h GLU 1471N 3.20 0.89 0.00 1.68 5.08 -1.94 -3.05 114.58 120.45 2uva h GLU 1471Ca -0.48 -0.35 0.00 0.00 -1.00 0.00 0.00 59.36 57.53 2uva h GLU 1471Cb 1.22 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.43 2uva h GLU 1471CO 0.65 1.00 0.00 -2.67 -1.00 0.00 0.00 179.01 176.99 2uva n TRP 1472N -4.23 0.00 -3.31 4.33 4.27 -1.26 -4.72 117.44 112.51 2uva n TRP 1472Ca -0.00 0.00 -0.42 0.00 -3.89 0.00 0.00 57.50 53.19 2uva n TRP 1472Cb 0.40 -0.32 -0.09 0.00 -1.36 0.00 0.00 31.31 29.94 2uva n TRP 1472CO 0.00 0.00 0.00 0.12 -2.29 0.00 0.00 177.69 175.52 2uva s PHE 1473N -2.64 3.18 -0.41 -2.67 5.36 -1.15 -1.75 117.98 117.91 2uva s PHE 1473Ca 0.23 -0.05 0.03 0.00 -0.96 0.00 0.00 56.93 56.18 2uva s PHE 1473Cb 0.17 -2.85 0.11 0.00 -0.34 0.00 0.00 43.02 40.12 2uva s PHE 1473CO 0.41 -0.56 0.13 0.15 -1.46 0.00 0.00 175.22 173.89 2uva s LYS 1474N 2.21 1.70 0.49 10.12 1.02 -0.94 -4.88 119.74 129.46 2uva s LYS 1474Ca 0.15 -2.11 -0.21 0.00 0.02 0.00 0.00 55.97 53.82 2uva s LYS 1474Cb -0.16 -3.29 -0.07 0.00 -0.52 0.00 0.00 37.83 33.79 2uva s LYS 1474CO 0.13 -1.01 1.12 -1.17 -0.92 0.00 0.00 175.35 173.50 2uva s LEU 1475N 0.55 3.88 0.31 3.17 0.20 -1.26 -2.00 118.68 123.53 2uva s LEU 1475Ca 0.13 2.16 0.07 0.00 0.69 0.00 0.00 54.13 57.17 2uva s LEU 1475Cb -0.21 -4.44 -0.03 0.00 -0.43 0.00 0.00 46.19 41.08 2uva s LEU 1475CO -0.05 -0.98 0.31 -0.62 -0.29 0.00 0.00 176.35 174.72 2uva s ASP 1476N -1.67 5.55 -0.35 3.68 2.15 -0.44 -4.94 116.67 120.65 2uva s ASP 1476Ca 0.68 -0.34 0.02 0.00 0.43 0.00 0.00 52.55 53.34 2uva s ASP 1476Cb -0.24 -1.18 0.47 0.00 -0.30 0.00 0.00 42.92 41.68 2uva s ASP 1476CO 0.28 -0.28 1.72 0.47 -0.17 0.00 0.00 175.17 177.19 2uva n ASP 1477N -1.39 4.02 0.00 -0.34 8.00 -1.26 -4.66 116.55 120.92 2uva n ASP 1477Ca -0.03 -3.21 0.00 0.00 0.71 0.00 0.00 54.79 52.25 2uva n ASP 1477Cb 0.59 -0.79 0.00 0.00 -0.02 0.00 0.00 41.12 40.90 2uva n ASP 1477CO 0.00 0.00 0.00 1.67 -0.39 0.00 0.00 177.20 178.48 2uva n GLN 1478N -0.65 0.00 -4.29 -1.24 -0.06 -1.26 -4.99 117.38 104.89 2uva n GLN 1478Ca 0.44 0.00 -0.24 0.00 -2.00 0.00 0.00 57.00 55.20 2uva n GLN 1478Cb 1.27 0.00 -0.08 0.00 -4.06 0.00 0.00 30.24 27.37 2uva n GLN 1478CO 0.00 0.00 0.00 -1.58 -0.20 0.00 0.00 177.06 175.28 2uva s HIS 1479N 0.00 2.69 -0.40 3.69 5.04 -1.26 -5.02 115.29 120.03 2uva s HIS 1479Ca 0.00 -0.21 -0.04 0.00 -1.54 0.00 0.00 55.06 53.27 2uva s HIS 1479Cb 0.00 -1.23 0.04 0.00 0.04 0.00 0.00 32.58 31.43 2uva s HIS 1479CO 0.00 0.59 2.80 -0.25 -2.34 0.00 0.00 174.74 175.53 2uva n ASP 1480N -0.59 6.35 -4.67 9.88 8.00 -1.26 -4.95 116.55 129.31 2uva n ASP 1480Ca -0.08 -3.12 -0.42 0.00 0.71 0.00 0.00 54.79 51.88 2uva n ASP 1480Cb 0.58 -1.24 -0.03 0.00 -0.02 0.00 0.00 41.12 40.41 2uva n ASP 1480CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2uva s ILE 1481N -1.94 3.37 -0.21 0.53 1.01 -1.26 -4.86 121.20 117.84 2uva s ILE 1481Ca 0.57 0.62 -0.37 0.00 0.00 0.00 0.00 60.65 61.48 2uva s ILE 1481Cb 0.37 -3.40 -0.13 0.00 0.01 0.00 0.00 42.46 39.31 2uva s ILE 1481CO -0.18 -0.03 1.90 -0.62 0.00 0.00 0.00 174.94 176.00 2uva n GLU 1482N 6.51 1.58 0.00 2.79 1.02 -1.26 -4.76 120.64 126.52 2uva n GLU 1482Ca 0.17 0.56 0.13 0.00 -0.02 0.00 0.00 57.16 57.99 2uva n GLU 1482Cb 0.42 -2.41 0.75 0.00 -0.02 0.00 0.00 31.44 30.18 2uva n GLU 1482CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2uva n LEU 1483N 6.86 0.00 0.00 -4.62 4.77 -1.26 -4.30 117.00 118.44 2uva n LEU 1483Ca 0.28 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.26 2uva n LEU 1483Cb 0.22 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.31 2uva n LEU 1483CO 0.77 0.00 0.49 -0.11 -1.33 0.00 0.00 177.39 177.21 2uva n LEU 1484N -0.91 0.00 -0.23 2.23 7.94 -1.26 -3.83 117.00 120.94 2uva n LEU 1484Ca 0.19 0.98 -0.07 0.00 -1.11 0.00 0.00 56.01 55.99 2uva n LEU 1484Cb 0.09 -0.48 0.03 0.00 0.53 0.00 0.00 43.42 43.60 2uva n LEU 1484CO 0.14 -0.48 0.97 1.23 -1.11 0.00 0.00 177.39 178.15 2uva h GLY 1485N 0.00 1.04 -0.74 -3.96 0.00 -1.78 -3.31 103.07 94.32 2uva h GLY 1485Ca 0.00 -0.59 -0.46 0.00 0.00 0.00 0.00 47.33 46.28 2uva h GLY 1485CO 0.00 0.56 0.38 1.20 0.00 0.00 0.00 176.54 178.68 2uva s GLN 1486N -5.47 1.13 0.26 4.80 1.11 -1.25 -4.82 119.66 115.41 2uva s GLN 1486Ca -0.13 -0.08 0.10 0.00 0.01 0.00 0.00 55.36 55.26 2uva s GLN 1486Cb 0.13 -1.87 -0.04 0.00 -1.01 0.00 0.00 33.01 30.22 2uva s GLN 1486CO 0.81 -2.14 -0.05 0.95 0.01 0.00 0.00 175.29 174.87 2uva s THR 1487N -3.63 3.24 0.15 -0.19 -4.23 -1.26 -3.42 115.64 106.29 2uva s THR 1487Ca 0.68 -1.96 0.10 0.00 -1.18 0.00 0.00 61.69 59.32 2uva s THR 1487Cb -0.09 -2.71 -0.04 0.00 1.34 0.00 0.00 72.50 71.01 2uva s THR 1487CO 0.52 -0.34 -0.20 -0.76 -0.54 0.00 0.00 174.62 173.30 2uva s LEU 1488N -3.51 2.61 -0.17 4.79 1.43 0.14 -4.58 118.68 119.39 2uva s LEU 1488Ca 0.30 -0.67 -0.05 0.00 -1.03 0.00 0.00 54.13 52.67 2uva s LEU 1488Cb -0.07 -1.41 -0.03 0.00 0.03 0.00 0.00 46.19 44.71 2uva s LEU 1488CO 0.18 0.15 0.01 -0.69 0.23 0.00 0.00 176.35 176.24 2uva s VAL 1489N -1.34 4.35 -0.44 -1.59 1.01 0.04 -0.61 120.40 121.83 2uva s VAL 1489Ca 0.19 -0.20 -0.01 0.00 0.00 0.00 0.00 61.98 61.97 2uva s VAL 1489Cb -0.10 -2.93 0.12 0.00 0.00 0.00 0.00 36.38 33.47 2uva s VAL 1489CO 0.10 0.48 0.22 -0.36 0.00 0.00 0.00 175.10 175.54 2uva s PHE 1490N 0.30 3.56 -0.44 5.22 0.40 0.95 -0.58 117.98 127.41 2uva s PHE 1490Ca -0.00 -2.66 -0.14 0.00 -0.60 0.00 0.00 56.93 53.53 2uva s PHE 1490Cb -0.13 -3.13 0.05 0.00 0.51 0.00 0.00 43.02 40.32 2uva s PHE 1490CO 0.02 -0.93 0.34 1.03 0.70 0.00 0.00 175.22 176.37 2uva s ARG 1491N 0.76 2.93 0.21 0.44 0.52 -1.13 -2.02 118.95 120.66 2uva s ARG 1491Ca 0.11 -1.23 0.09 0.00 -0.52 0.00 0.00 55.73 54.18 2uva s ARG 1491Cb -0.22 -4.02 -0.04 0.00 0.52 0.00 0.00 34.95 31.19 2uva s ARG 1491CO -0.05 -0.91 -0.06 -0.51 0.02 0.00 0.00 175.30 173.80 2uva s LEU 1492N 1.63 3.07 0.22 2.53 1.43 -1.26 -1.66 118.68 124.63 2uva s LEU 1492Ca 0.04 -0.60 0.11 0.00 -1.03 0.00 0.00 54.13 52.65 2uva s LEU 1492Cb -0.22 -1.69 -0.05 0.00 0.03 0.00 0.00 46.19 44.26 2uva s LEU 1492CO 0.07 0.06 -0.20 -1.10 0.23 0.00 0.00 176.35 175.41 2uva s GLN 1493N -3.17 1.50 0.01 1.70 -0.21 0.20 -1.26 119.66 118.43 2uva s GLN 1493Ca 0.28 -1.59 -0.21 0.00 0.02 0.00 0.00 55.36 53.85 2uva s GLN 1493Cb -0.08 -1.63 0.04 0.00 1.00 0.00 0.00 33.01 32.35 2uva s GLN 1493CO 0.17 0.32 0.47 -1.54 -2.12 0.00 0.00 175.29 172.59 2uva s SER 1494N -3.03 -0.38 -0.09 5.90 1.04 -0.73 -1.09 113.70 115.32 2uva s SER 1494Ca 0.23 0.22 0.02 0.00 0.48 0.00 0.00 55.95 56.91 2uva s SER 1494Cb -0.06 0.43 0.01 0.00 0.10 0.00 0.00 66.02 66.51 2uva s SER 1494CO 0.11 -0.61 -0.16 -0.22 0.98 0.00 0.00 173.24 173.34 2uva s LEU 1495N -1.63 1.78 -0.03 2.42 2.96 0.28 -1.88 118.68 122.58 2uva s LEU 1495Ca -0.09 -0.41 0.06 0.00 -0.22 0.00 0.00 54.13 53.47 2uva s LEU 1495Cb -0.02 -1.07 -0.01 0.00 0.50 0.00 0.00 46.19 45.59 2uva s LEU 1495CO 0.02 0.06 -0.21 0.54 -1.32 0.00 0.00 176.35 175.44 2uva s VAL 1496N 0.73 1.66 -0.14 1.68 0.11 -0.40 -0.05 120.40 123.99 2uva s VAL 1496Ca -0.12 -0.88 -0.01 0.00 -2.93 0.00 0.00 61.98 58.04 2uva s VAL 1496Cb -0.16 -1.39 -0.02 0.00 -1.53 0.00 0.00 36.38 33.28 2uva s VAL 1496CO 0.03 0.47 -0.11 -0.13 -3.33 0.00 0.00 175.10 172.03 2uva s ARG 1497N -0.34 3.45 0.55 1.54 0.52 0.57 -0.49 118.95 124.75 2uva s ARG 1497Ca 0.04 -0.65 -0.07 0.00 -0.52 0.00 0.00 55.73 54.53 2uva s ARG 1497Cb -0.10 -2.70 -0.03 0.00 0.52 0.00 0.00 34.95 32.65 2uva s ARG 1497CO 0.00 0.22 0.89 -0.06 0.02 0.00 0.00 175.30 176.37 2uva s PHE 1498N 0.35 3.51 0.18 -0.53 0.40 -1.18 0.80 117.98 121.51 2uva s PHE 1498Ca -0.09 0.92 0.00 0.00 -0.60 0.00 0.00 56.93 57.15 2uva s PHE 1498Cb -0.16 -2.53 0.00 0.00 0.51 0.00 0.00 43.02 40.84 2uva s PHE 1498CO 0.05 -0.53 0.00 0.36 0.70 0.00 0.00 175.22 175.80 2uva n LYS 1499N -2.49 0.00 -3.61 0.44 2.85 -1.03 -4.30 118.16 110.02 2uva n LYS 1499Ca 0.03 0.00 -0.33 0.00 -1.05 0.00 0.00 58.31 56.96 2uva n LYS 1499Cb 0.55 -0.07 -0.05 0.00 -0.65 0.00 0.00 35.03 34.82 2uva n LYS 1499CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 177.40 178.56 2uva s ASN 1500N -4.89 6.58 0.45 -5.58 2.47 -1.13 -4.80 114.94 108.04 2uva s ASN 1500Ca 0.00 0.72 0.19 0.00 0.42 0.00 0.00 52.86 54.19 2uva s ASN 1500Cb 0.00 -2.15 1.03 0.00 -1.45 0.00 0.00 41.25 38.69 2uva s ASN 1500CO 0.00 0.11 1.52 0.07 -3.72 0.00 0.00 177.10 175.09 2uva h LYS 1501N 3.32 0.00 0.01 0.43 2.10 -1.96 -1.25 116.57 119.22 2uva h LYS 1501Ca -0.48 0.00 -0.35 0.00 -2.00 0.00 0.00 60.65 57.82 2uva h LYS 1501Cb 1.18 0.00 -0.06 0.00 -0.90 0.00 0.00 32.23 32.45 2uva h LYS 1501CO 0.69 0.00 -2.21 0.09 -2.00 0.00 0.00 179.45 176.02 2uva n ASN 1502N -2.36 0.50 -4.04 7.07 3.02 -1.26 -4.94 115.26 113.25 2uva n ASN 1502Ca -0.01 0.10 -0.31 0.00 -0.03 0.00 0.00 54.58 54.32 2uva n ASN 1502Cb 0.35 0.52 -0.16 0.00 -0.61 0.00 0.00 39.78 39.87 2uva n ASN 1502CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2uva s VAL 1503N -2.52 1.86 0.12 2.41 1.01 -0.47 -4.87 120.40 117.94 2uva s VAL 1503Ca -0.12 -1.13 -0.31 0.00 0.00 0.00 0.00 61.98 60.43 2uva s VAL 1503Cb 0.07 -1.87 -0.10 0.00 0.00 0.00 0.00 36.38 34.47 2uva s VAL 1503CO 0.80 0.22 1.76 -0.31 0.00 0.00 0.00 175.10 177.58 2uva s TYR 1504N 1.30 2.32 0.27 5.22 2.02 -0.29 -2.48 117.35 125.72 2uva s TYR 1504Ca -0.01 0.13 0.17 0.00 -0.37 0.00 0.00 57.07 56.98 2uva s TYR 1504Cb -0.16 -4.11 0.74 0.00 -0.40 0.00 0.00 41.96 38.03 2uva s TYR 1504CO -0.09 -4.49 1.78 0.66 -1.57 0.00 0.00 175.55 171.85 2uva h SER 1505N 8.31 0.00 -2.39 2.29 4.64 0.21 0.14 113.55 126.75 2uva h SER 1505Ca -0.45 0.00 0.16 0.00 -0.47 0.00 0.00 61.79 61.03 2uva h SER 1505Cb 1.21 0.00 -0.31 0.00 -0.31 0.00 0.00 62.40 62.99 2uva h SER 1505CO 0.94 0.38 0.69 -0.94 -0.87 0.00 0.00 176.83 177.03 2uva s SER 1506N -6.60 -0.20 -0.01 4.97 1.04 -1.02 -0.57 113.70 111.32 2uva s SER 1506Ca -0.01 0.36 0.02 0.00 0.48 0.00 0.00 55.95 56.79 2uva s SER 1506Cb 0.12 0.65 -0.00 0.00 0.10 0.00 0.00 66.02 66.89 2uva s SER 1506CO 0.69 -0.06 -0.06 0.68 0.98 0.00 0.00 173.24 175.47 2uva s VAL 1507N 0.51 0.53 -0.05 5.02 -7.23 0.25 -0.31 120.40 119.12 2uva s VAL 1507Ca 0.00 -0.26 0.01 0.00 -1.81 0.00 0.00 61.98 59.93 2uva s VAL 1507Cb -0.04 -0.47 0.02 0.00 0.56 0.00 0.00 36.38 36.45 2uva s VAL 1507CO -0.12 0.16 -0.07 -1.10 -0.31 0.00 0.00 175.10 173.66 2uva s GLN 1508N 0.04 1.12 -0.15 4.82 -0.21 0.92 -1.11 119.66 125.09 2uva s GLN 1508Ca -0.00 -0.21 0.00 0.00 0.02 0.00 0.00 55.36 55.17 2uva s GLN 1508Cb -0.05 -1.02 0.02 0.00 1.00 0.00 0.00 33.01 32.96 2uva s GLN 1508CO -0.00 -0.04 -0.15 0.99 -2.12 0.00 0.00 175.29 173.97 2uva s THR 1509N 0.81 1.61 0.00 -0.19 2.01 0.11 -0.56 115.64 119.44 2uva s THR 1509Ca -0.13 -0.66 0.07 0.00 0.31 0.00 0.00 61.69 61.29 2uva s THR 1509Cb -0.15 -1.51 -0.03 0.00 0.01 0.00 0.00 72.50 70.83 2uva s THR 1509CO 0.01 0.47 -0.22 -0.63 -0.69 0.00 0.00 174.62 173.56 2uva s ILE 1510N 1.47 2.46 0.27 1.82 1.01 -0.25 -1.60 121.20 126.37 2uva s ILE 1510Ca 0.05 -1.12 -0.13 0.00 0.00 0.00 0.00 60.65 59.45 2uva s ILE 1510Cb -0.13 -1.95 0.05 0.00 0.01 0.00 0.00 42.46 40.44 2uva s ILE 1510CO -0.11 0.47 0.65 0.61 0.00 0.00 0.00 174.94 176.56 2uva n GLY 1511N 2.03 1.11 3.00 6.18 0.00 -0.58 0.60 105.19 117.54 2uva n GLY 1511Ca -0.16 -1.18 -0.28 0.00 0.00 0.00 0.00 46.02 44.40 2uva n GLY 1511CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2uva s GLN 1512N -2.06 1.96 -0.35 1.61 -0.21 -0.67 -1.76 119.66 118.18 2uva s GLN 1512Ca 0.13 -0.45 -0.22 0.00 0.02 0.00 0.00 55.36 54.85 2uva s GLN 1512Cb -0.03 -1.76 0.00 0.00 1.00 0.00 0.00 33.01 32.22 2uva s GLN 1512CO 0.08 -0.13 0.69 0.08 -2.12 0.00 0.00 175.29 173.89 2uva s VAL 1513N 1.20 4.84 0.10 1.09 1.01 -0.41 -2.82 120.40 125.42 2uva s VAL 1513Ca -0.03 0.76 0.03 0.00 0.00 0.00 0.00 61.98 62.74 2uva s VAL 1513Cb -0.14 -4.12 -0.04 0.00 0.00 0.00 0.00 36.38 32.08 2uva s VAL 1513CO -0.04 -0.33 0.14 -0.76 0.00 0.00 0.00 175.10 174.11 2uva s LEU 1514N 2.84 3.96 -0.02 3.92 1.02 0.26 -1.51 118.68 129.14 2uva s LEU 1514Ca 0.27 0.03 0.02 0.00 0.02 0.00 0.00 54.13 54.47 2uva s LEU 1514Cb -0.14 -2.59 0.01 0.00 0.02 0.00 0.00 46.19 43.48 2uva s LEU 1514CO 0.15 0.13 -0.07 -0.22 0.02 0.00 0.00 176.35 176.37 2uva s LEU 1515N -2.68 1.71 -0.21 1.79 2.96 -0.70 -0.78 118.68 120.78 2uva s LEU 1515Ca 0.31 -0.14 -0.14 0.00 -0.22 0.00 0.00 54.13 53.94 2uva s LEU 1515Cb -0.12 -0.44 -0.04 0.00 0.50 0.00 0.00 46.19 46.09 2uva s LEU 1515CO 0.24 0.03 0.30 -0.70 -1.32 0.00 0.00 176.35 174.90 2uva s GLU 1516N 0.32 4.16 0.83 1.98 2.12 -1.25 -1.75 118.70 125.11 2uva s GLU 1516Ca -0.04 0.03 -0.12 0.00 0.36 0.00 0.00 54.97 55.20 2uva s GLU 1516Cb -0.09 -3.51 0.09 0.00 0.26 0.00 0.00 34.13 30.88 2uva s GLU 1516CO 0.00 0.05 1.10 -0.51 -0.54 0.00 0.00 175.26 175.36 2uva s LEU 1517N 1.05 2.45 0.57 2.70 1.43 0.50 -4.88 118.68 122.51 2uva s LEU 1517Ca 0.15 1.33 0.27 0.00 -1.03 0.00 0.00 54.13 54.84 2uva s LEU 1517Cb -0.14 -3.86 1.55 0.00 0.03 0.00 0.00 46.19 43.77 2uva s LEU 1517CO 0.06 -2.20 2.07 -0.65 0.23 0.00 0.00 176.35 175.85 2uva h PRO 1518N -1.25 0.00 -0.00 1.29 0.11 -1.98 -0.89 132.00 129.28 2uva h PRO 1518Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2uva h PRO 1518Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 2uva h PRO 1518CO 0.58 0.00 -0.05 0.25 -0.21 0.00 0.00 178.00 178.57 2uva n THR 1519N -3.98 0.00 -1.14 -1.15 -2.24 -1.26 -4.88 114.28 99.62 2uva n THR 1519Ca 0.03 -0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2uva n THR 1519Cb 0.39 -0.29 0.00 0.00 -2.10 0.00 0.00 70.33 68.33 2uva n THR 1519CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2uva n LYS 1520N -1.06 0.00 -2.76 -0.78 4.01 -0.34 -4.33 118.16 112.90 2uva n LYS 1520Ca 0.16 0.33 -0.37 0.00 -0.51 0.00 0.00 58.31 57.92 2uva n LYS 1520Cb 0.24 -3.47 -0.06 0.00 -0.51 0.00 0.00 35.03 31.23 2uva n LYS 1520CO 0.00 0.00 0.00 -1.21 -1.11 0.00 0.00 177.40 175.08 2uva s GLU 1521N -2.32 4.55 -0.25 1.97 0.41 -1.26 -4.78 118.70 117.02 2uva s GLU 1521Ca 0.00 1.35 -0.01 0.00 -0.41 0.00 0.00 54.97 55.89 2uva s GLU 1521Cb 0.00 -2.77 0.03 0.00 -1.78 0.00 0.00 34.13 29.60 2uva s GLU 1521CO 0.00 0.24 -0.06 0.42 -0.49 0.00 0.00 175.26 175.37 2uva s ILE 1522N -1.62 2.85 0.10 -1.63 -1.09 -1.26 -0.37 121.20 118.18 2uva s ILE 1522Ca 0.51 -1.07 0.09 0.00 -2.23 0.00 0.00 60.65 57.95 2uva s ILE 1522Cb -0.19 -2.46 -0.04 0.00 -1.58 0.00 0.00 42.46 38.19 2uva s ILE 1522CO 0.24 0.17 -0.19 -0.63 -1.23 0.00 0.00 174.94 173.31 2uva s ILE 1523N 1.31 2.78 -1.10 2.92 1.09 -0.72 -4.95 121.20 122.53 2uva s ILE 1523Ca -0.00 -1.46 -0.16 0.00 -1.10 0.00 0.00 60.65 57.93 2uva s ILE 1523Cb -0.17 -2.25 0.16 0.00 -1.06 0.00 0.00 42.46 39.14 2uva s ILE 1523CO -0.04 0.15 1.31 -1.58 -0.10 0.00 0.00 174.94 174.68 2uva s GLN 1524N -1.98 3.91 0.58 2.79 0.74 -1.26 -1.72 119.66 122.72 2uva s GLN 1524Ca 0.17 -2.28 0.35 0.00 0.05 0.00 0.00 55.36 53.65 2uva s GLN 1524Cb -0.10 -5.00 1.79 0.00 1.10 0.00 0.00 33.01 30.79 2uva s GLN 1524CO 0.09 -1.76 2.16 0.28 -0.55 0.00 0.00 175.29 175.51 2uva h VAL 1525N 5.09 0.23 -1.71 1.34 2.07 -1.61 -3.45 116.25 118.22 2uva h VAL 1525Ca 0.25 -0.32 0.04 0.00 0.82 0.00 0.00 66.70 67.50 2uva h VAL 1525Cb 0.93 1.25 -0.01 0.00 -1.52 0.00 0.00 31.29 31.94 2uva h VAL 1525CO 1.19 0.04 0.13 0.00 0.02 0.00 0.00 177.57 178.95 2uva n ALA 1526N -2.17 -0.59 -3.04 1.67 0.00 -1.18 -1.33 120.51 113.87 2uva n ALA 1526Ca -0.02 -0.20 -0.10 0.00 0.00 0.00 0.00 53.44 53.12 2uva n ALA 1526Cb 0.19 0.10 -0.06 0.00 0.00 0.00 0.00 19.45 19.69 2uva n ALA 1526CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2uva s SER 1527N -1.52 0.03 -0.14 0.00 1.04 -0.85 -1.28 113.70 110.99 2uva s SER 1527Ca 0.05 -1.04 0.03 0.00 0.48 0.00 0.00 55.95 55.47 2uva s SER 1527Cb -0.01 0.57 0.01 0.00 0.10 0.00 0.00 66.02 66.70 2uva s SER 1527CO 0.01 -1.13 -0.22 -0.69 0.98 0.00 0.00 173.24 172.19 2uva s VAL 1528N -3.92 2.07 -0.19 5.02 1.01 -0.72 -2.21 120.40 121.46 2uva s VAL 1528Ca 0.25 -0.98 -0.03 0.00 0.00 0.00 0.00 61.98 61.22 2uva s VAL 1528Cb 0.00 -1.82 0.06 0.00 0.00 0.00 0.00 36.38 34.62 2uva s VAL 1528CO 0.10 0.55 0.05 -0.62 0.00 0.00 0.00 175.10 175.18 2uva s ASP 1529N 0.75 2.77 -0.01 3.32 3.68 -0.72 -1.53 116.67 124.93 2uva s ASP 1529Ca -0.09 -0.77 -0.02 0.00 2.13 0.00 0.00 52.55 53.81 2uva s ASP 1529Cb -0.16 -0.51 0.00 0.00 -1.45 0.00 0.00 42.92 40.80 2uva s ASP 1529CO -0.01 -0.31 0.05 -0.47 0.13 0.00 0.00 175.17 174.56 2uva s TYR 1530N 1.92 -0.02 -0.22 -5.34 5.04 -0.63 -4.26 117.35 113.85 2uva s TYR 1530Ca -0.00 0.05 -0.19 0.00 -2.44 0.00 0.00 57.07 54.49 2uva s TYR 1530Cb -0.17 -0.01 0.06 0.00 0.35 0.00 0.00 41.96 42.19 2uva s TYR 1530CO -0.08 -0.06 0.58 -1.83 -1.34 0.00 0.00 175.55 172.82 2uva s GLU 1531N -0.20 0.66 0.14 4.97 -1.05 -1.26 0.05 118.70 122.02 2uva s GLU 1531Ca -0.02 0.83 -0.22 0.00 -0.15 0.00 0.00 54.97 55.40 2uva s GLU 1531Cb -0.02 0.30 0.06 0.00 -0.44 0.00 0.00 34.13 34.04 2uva s GLU 1531CO 0.00 -0.09 0.57 0.00 0.95 0.00 0.00 175.26 176.69 2uva s ALA 1532N 0.45 -1.50 0.23 -0.84 0.00 -0.27 -4.99 121.76 114.84 2uva s ALA 1532Ca -0.01 0.44 0.11 0.00 0.00 0.00 0.00 51.96 52.51 2uva s ALA 1532Cb -0.04 0.81 -0.05 0.00 0.00 0.00 0.00 23.12 23.84 2uva s ALA 1532CO -0.01 -0.73 -0.19 0.20 0.00 0.00 0.00 175.76 175.02 2uva s GLY 1533N -2.68 1.77 -1.05 0.00 0.00 -1.26 0.86 107.32 104.97 2uva s GLY 1533Ca 0.01 -1.71 -0.06 0.00 0.00 0.00 0.00 44.72 42.96 2uva s GLY 1533CO -0.12 -1.76 0.91 1.18 0.00 0.00 0.00 173.10 173.32 2uva n GLU 1534N -0.15 -2.21 -4.43 2.90 -0.58 0.26 -4.86 120.64 111.58 2uva n GLU 1534Ca -0.09 0.87 -0.31 0.00 -0.42 0.00 0.00 57.16 57.21 2uva n GLU 1534Cb 0.58 -5.80 -0.11 0.00 -0.57 0.00 0.00 31.44 25.54 2uva n GLU 1534CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 2uva s SER 1535N -3.39 4.29 -0.01 1.62 0.15 0.44 -4.96 113.70 111.84 2uva s SER 1535Ca 0.45 -0.32 0.19 0.00 0.70 0.00 0.00 55.95 56.97 2uva s SER 1535Cb -0.06 -0.85 -0.23 0.00 -1.71 0.00 0.00 66.02 63.17 2uva s SER 1535CO 0.74 0.23 0.69 1.41 1.20 0.00 0.00 173.24 177.52 2uva n HIS 1536N 1.22 0.00 -3.82 3.44 8.25 -1.26 -1.13 115.22 121.91 2uva n HIS 1536Ca -0.15 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.24 2uva n HIS 1536Cb 0.52 -0.13 0.01 0.00 1.12 0.00 0.00 29.99 31.51 2uva n HIS 1536CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 2uva s GLY 1537N -3.22 0.20 -0.63 -1.41 0.00 -1.26 -4.90 107.32 96.10 2uva s GLY 1537Ca 0.03 -0.56 -0.13 0.00 0.00 0.00 0.00 44.72 44.06 2uva s GLY 1537CO 0.79 -0.04 0.55 0.21 0.00 0.00 0.00 173.10 174.61 2uva s ASN 1538N -3.05 6.19 0.60 1.64 3.84 -1.26 -4.93 114.94 117.97 2uva s ASN 1538Ca 0.15 -2.22 0.31 0.00 0.21 0.00 0.00 52.86 51.31 2uva s ASN 1538Cb -0.05 -2.14 1.81 0.00 -0.55 0.00 0.00 41.25 40.32 2uva s ASN 1538CO 0.09 -0.68 2.19 -0.65 -2.79 0.00 0.00 177.10 175.26 2uva h PRO 1539N 8.25 0.00 0.02 0.43 0.11 -1.99 -1.20 132.00 137.62 2uva h PRO 1539Ca -0.12 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.99 2uva h PRO 1539Cb 1.06 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.17 2uva h PRO 1539CO 0.88 0.00 -0.01 0.28 -0.21 0.00 0.00 178.00 178.94 2uva h VAL 1540N 0.00 1.48 -0.65 3.15 2.07 -2.00 -2.78 116.25 117.53 2uva h VAL 1540Ca 0.04 -1.72 0.02 0.00 0.82 0.00 0.00 66.70 65.86 2uva h VAL 1540Cb 0.25 2.61 -0.04 0.00 -1.52 0.00 0.00 31.29 32.59 2uva h VAL 1540CO -0.00 0.43 0.41 0.40 0.02 0.00 0.00 177.57 178.83 2uva h ILE 1541N -0.79 1.10 0.03 4.57 5.03 -1.85 -2.46 117.51 123.13 2uva h ILE 1541Ca -0.00 -0.28 0.02 0.00 -0.12 0.00 0.00 64.86 64.48 2uva h ILE 1541Cb 0.73 0.22 -0.03 0.00 -3.03 0.00 0.00 36.82 34.70 2uva h ILE 1541CO 0.00 0.15 -0.19 -0.78 -0.68 0.00 0.00 178.15 176.65 2uva h ASP 1542N 0.81 -0.55 -0.78 1.72 3.58 -1.32 0.36 116.42 120.25 2uva h ASP 1542Ca 0.26 0.08 0.14 0.00 0.42 0.00 0.00 57.03 57.92 2uva h ASP 1542Cb -0.00 0.22 -0.09 0.00 1.72 0.00 0.00 39.33 41.18 2uva h ASP 1542CO -0.10 -0.26 0.35 0.22 -2.88 0.00 0.00 179.24 176.58 2uva h TYR 1543N -0.32 0.62 -0.50 0.28 3.20 -1.30 -1.39 116.97 117.55 2uva h TYR 1543Ca 0.05 0.03 -0.11 0.00 3.14 0.00 0.00 58.73 61.84 2uva h TYR 1543Cb 0.38 -0.16 -0.02 0.00 1.54 0.00 0.00 36.73 38.48 2uva h TYR 1543CO -0.22 0.13 -0.14 -0.07 -1.64 0.00 0.00 178.16 176.21 2uva h LEU 1544N 0.53 0.97 -1.58 2.82 3.38 -0.80 -2.76 115.31 117.86 2uva h LEU 1544Ca 0.42 -0.33 0.04 0.00 0.09 0.00 0.00 57.88 58.10 2uva h LEU 1544Cb 0.59 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.05 2uva h LEU 1544CO -0.37 1.10 0.34 1.56 0.09 0.00 0.00 178.44 181.16 2uva h GLN 1545N 0.85 0.53 0.00 1.13 4.20 0.82 -1.31 115.11 121.34 2uva h GLN 1545Ca 0.13 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.81 2uva h GLN 1545Cb 0.69 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 28.35 2uva h GLN 1545CO 0.05 0.35 -0.25 0.07 -0.67 0.00 0.00 178.83 178.39 2uva h ARG 1546N 0.55 0.00 0.00 1.46 0.11 -1.48 -3.39 114.38 111.62 2uva h ARG 1546Ca 0.21 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.29 2uva h ARG 1546Cb 0.15 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.23 2uva h ARG 1546CO -0.06 0.00 0.00 0.72 0.10 0.00 0.00 179.97 180.73 2uva n HIS 1547N -3.84 0.00 -4.19 4.08 8.25 -1.05 -4.78 115.22 113.69 2uva n HIS 1547Ca -0.03 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.29 2uva n HIS 1547Cb 0.13 -0.43 -0.05 0.00 1.12 0.00 0.00 29.99 30.75 2uva n HIS 1547CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2uva n GLY 1548N -0.43 3.23 3.19 -1.41 0.00 -0.49 -4.14 105.19 105.13 2uva n GLY 1548Ca 0.03 -1.81 -0.14 0.00 0.00 0.00 0.00 46.02 44.10 2uva n GLY 1548CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2uva s SER 1549N -2.61 1.50 1.30 1.61 1.04 -0.74 -4.56 113.70 111.23 2uva s SER 1549Ca 0.28 -0.86 -0.21 0.00 0.48 0.00 0.00 55.95 55.63 2uva s SER 1549Cb 0.01 0.01 0.32 0.00 0.10 0.00 0.00 66.02 66.46 2uva s SER 1549CO 0.19 -0.29 1.05 -0.94 0.98 0.00 0.00 173.24 174.23 2uva s SER 1550N -2.62 0.09 0.23 7.02 1.04 -1.26 0.11 113.70 118.30 2uva s SER 1550Ca 0.08 0.68 -0.21 0.00 0.48 0.00 0.00 55.95 56.97 2uva s SER 1550Cb -0.01 -0.93 0.04 0.00 0.10 0.00 0.00 66.02 65.21 2uva s SER 1550CO -0.00 -4.64 0.66 -0.51 0.98 0.00 0.00 173.24 169.73 2uva s ILE 1551N -2.74 0.00 -1.45 -1.02 2.07 -0.97 -4.52 121.20 112.57 2uva s ILE 1551Ca 0.70 -0.65 -0.08 0.00 -1.41 0.00 0.00 60.65 59.22 2uva s ILE 1551Cb -0.10 -1.63 0.04 0.00 0.13 0.00 0.00 42.46 40.89 2uva s ILE 1551CO 0.57 -0.01 0.67 -0.62 -1.91 0.00 0.00 174.94 173.64 2uva n GLU 1552N -0.42 -4.81 -3.47 3.50 1.02 -1.26 -4.70 120.64 110.50 2uva n GLU 1552Ca -0.09 0.73 -0.24 0.00 -0.02 0.00 0.00 57.16 57.55 2uva n GLU 1552Cb 0.61 -5.57 -0.02 0.00 -0.02 0.00 0.00 31.44 26.44 2uva n GLU 1552CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 2uva s GLN 1553N -5.96 3.49 1.00 3.49 -1.52 -1.26 -5.05 119.66 113.85 2uva s GLN 1553Ca 0.40 -0.36 -0.13 0.00 -1.95 0.00 0.00 55.36 53.32 2uva s GLN 1553Cb -0.19 -2.70 0.11 0.00 -0.22 0.00 0.00 33.01 30.01 2uva s GLN 1553CO 0.50 0.20 0.60 -2.30 -0.25 0.00 0.00 175.29 174.04 2uva n PRO 1554N -1.61 -0.86 -3.62 2.91 -0.02 -1.26 -4.93 135.00 125.61 2uva n PRO 1554Ca -0.05 -0.21 -0.29 0.00 -2.02 0.00 0.00 63.50 60.93 2uva n PRO 1554Cb 0.56 -2.00 -0.14 0.00 -0.02 0.00 0.00 33.50 31.90 2uva n PRO 1554CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2uva s VAL 1555N -2.43 0.57 0.59 -1.45 1.01 -0.45 -4.99 120.40 113.24 2uva s VAL 1555Ca 0.61 -1.53 -0.05 0.00 0.00 0.00 0.00 61.98 61.01 2uva s VAL 1555Cb -0.20 -1.43 0.01 0.00 0.00 0.00 0.00 36.38 34.76 2uva s VAL 1555CO 0.65 -0.80 0.89 0.20 0.00 0.00 0.00 175.10 176.03 2uva s ASN 1556N 1.38 5.58 0.36 3.32 0.01 -1.26 -2.00 114.94 122.33 2uva s ASN 1556Ca 0.13 0.68 0.07 0.00 -0.71 0.00 0.00 52.86 53.03 2uva s ASN 1556Cb -0.20 -1.67 -0.01 0.00 0.41 0.00 0.00 41.25 39.78 2uva s ASN 1556CO -0.17 -1.06 0.41 -0.36 -1.51 0.00 0.00 177.10 174.41 2uva s PHE 1557N -2.97 2.93 0.22 2.20 0.08 -1.18 -4.97 117.98 114.29 2uva s PHE 1557Ca 0.54 -0.32 -0.03 0.00 0.12 0.00 0.00 56.93 57.24 2uva s PHE 1557Cb -0.10 -2.01 0.20 0.00 -0.57 0.00 0.00 43.02 40.53 2uva s PHE 1557CO 0.45 -0.03 1.62 0.93 -0.10 0.00 0.00 175.22 178.09 2uva h GLU 1558N 0.99 0.69 -4.02 0.44 5.08 -1.99 -3.40 114.58 112.38 2uva h GLU 1558Ca -0.44 -0.30 -0.70 0.00 -1.00 0.00 0.00 59.36 56.92 2uva h GLU 1558Cb 1.26 -0.02 -0.34 0.00 0.50 0.00 0.00 28.75 30.15 2uva h GLU 1558CO 0.54 0.90 -0.42 -0.80 -1.00 0.00 0.00 179.01 178.23 2uva s ASN 1559N -6.80 5.34 -0.08 1.42 0.01 -1.26 -5.06 114.94 108.52 2uva s ASN 1559Ca -0.09 -2.43 -0.30 0.00 -0.71 0.00 0.00 52.86 49.33 2uva s ASN 1559Cb 0.13 -1.87 -0.08 0.00 0.41 0.00 0.00 41.25 39.83 2uva s ASN 1559CO 0.83 -0.48 2.05 -2.65 -1.51 0.00 0.00 177.10 175.34 2uva n PRO 1560N 4.09 2.40 -2.52 -0.60 -0.02 -1.26 -4.93 135.00 132.15 2uva n PRO 1560Ca 0.02 0.82 -0.43 0.00 -2.02 0.00 0.00 63.50 61.89 2uva n PRO 1560Cb 0.40 -3.00 -0.02 0.00 -0.02 0.00 0.00 33.50 30.86 2uva n PRO 1560CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2uva s ILE 1561N 5.74 4.07 0.35 4.25 1.01 -1.23 -4.84 121.20 130.55 2uva s ILE 1561Ca 0.94 1.05 -0.28 0.00 0.00 0.00 0.00 60.65 62.36 2uva s ILE 1561Cb -0.46 -4.53 -0.12 0.00 0.01 0.00 0.00 42.46 37.36 2uva s ILE 1561CO 0.42 -1.03 1.43 -2.65 0.00 0.00 0.00 174.94 173.11 2uva n PRO 1562N 8.08 2.46 -0.11 2.79 -0.02 -1.26 0.19 135.00 147.13 2uva n PRO 1562Ca 0.12 0.87 -0.22 0.00 -2.02 0.00 0.00 63.50 62.25 2uva n PRO 1562Cb 0.49 -2.55 -0.07 0.00 -0.02 0.00 0.00 33.50 31.35 2uva n PRO 1562CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 2uva n LEU 1563N 0.81 1.62 0.03 2.45 0.00 0.81 -4.63 117.00 118.08 2uva n LEU 1563Ca 0.04 0.28 -0.06 0.00 0.00 0.00 0.00 56.01 56.26 2uva n LEU 1563Cb 0.37 -0.67 -0.11 0.00 0.00 0.00 0.00 43.42 43.01 2uva n LEU 1563CO 0.63 0.37 -0.15 -1.28 0.00 0.00 0.00 177.39 176.96 2uva h SER 1564N -0.82 0.00 -3.17 1.96 0.87 -1.92 -3.50 113.55 106.97 2uva h SER 1564Ca -0.51 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.05 2uva h SER 1564Cb 1.42 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.38 2uva h SER 1564CO -0.31 0.92 0.00 0.61 -0.53 0.00 0.00 176.83 177.52 2uva n GLY 1565N 1.43 -1.76 0.07 5.77 0.00 -1.26 -4.46 105.19 104.98 2uva n GLY 1565Ca -0.08 -2.03 0.14 0.00 0.00 0.00 0.00 46.02 44.05 2uva n GLY 1565CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2uva n LYS 1566N 0.00 0.43 -2.44 1.61 5.02 -1.26 -4.49 118.16 117.03 2uva n LYS 1566Ca 0.00 -0.15 -0.38 0.00 -2.02 0.00 0.00 58.31 55.77 2uva n LYS 1566Cb 0.00 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 33.48 2uva n LYS 1566CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 2uva s THR 1567N -2.67 3.83 0.27 -0.18 -1.32 -1.26 -4.96 115.64 109.34 2uva s THR 1567Ca 0.23 -0.77 -0.30 0.00 -1.21 0.00 0.00 61.69 59.64 2uva s THR 1567Cb 0.19 -4.83 -0.10 0.00 -1.51 0.00 0.00 72.50 66.25 2uva s THR 1567CO 0.52 -1.71 1.37 -2.84 -2.21 0.00 0.00 174.62 169.76 2uva s PRO 1568N 5.39 4.32 0.16 7.08 0.02 -1.26 -4.95 135.00 145.76 2uva s PRO 1568Ca 0.52 2.23 -0.30 0.00 0.02 0.00 0.00 61.00 63.47 2uva s PRO 1568Cb -0.01 -3.11 -0.08 0.00 0.02 0.00 0.00 34.50 31.31 2uva s PRO 1568CO -0.06 -0.31 1.32 -0.51 -0.33 0.00 0.00 177.00 177.10 2uva s LEU 1569N -0.78 4.40 -0.08 -5.54 1.43 -0.96 -4.89 118.68 112.25 2uva s LEU 1569Ca 0.55 2.33 0.05 0.00 -1.03 0.00 0.00 54.13 56.03 2uva s LEU 1569Cb -0.40 -3.60 -0.01 0.00 0.03 0.00 0.00 46.19 42.21 2uva s LEU 1569CO 0.45 -0.56 -0.23 -0.70 0.23 0.00 0.00 176.35 175.55 2uva s GLU 1570N 0.39 2.79 0.23 1.70 2.12 -1.26 -0.34 118.70 124.32 2uva s GLU 1570Ca 0.59 -0.87 0.07 0.00 0.36 0.00 0.00 54.97 55.12 2uva s GLU 1570Cb -0.36 -2.26 -0.05 0.00 0.26 0.00 0.00 34.13 31.72 2uva s GLU 1570CO 0.35 0.31 -0.10 -0.51 -0.54 0.00 0.00 175.26 174.77 2uva s LEU 1571N 0.02 2.50 -0.04 2.70 1.43 0.12 -4.98 118.68 120.44 2uva s LEU 1571Ca -0.08 -1.09 -0.01 0.00 -1.03 0.00 0.00 54.13 51.91 2uva s LEU 1571Cb -0.15 -0.62 0.03 0.00 0.03 0.00 0.00 46.19 45.48 2uva s LEU 1571CO 0.05 -0.26 0.04 -0.13 0.23 0.00 0.00 176.35 176.28 2uva s ARG 1572N -3.69 0.07 0.08 1.70 0.52 -1.26 0.13 118.95 116.50 2uva s ARG 1572Ca 0.25 0.25 -0.31 0.00 -0.52 0.00 0.00 55.73 55.40 2uva s ARG 1572Cb 0.01 -0.48 -0.09 0.00 0.52 0.00 0.00 34.95 34.91 2uva s ARG 1572CO 0.09 -0.25 1.83 0.00 0.02 0.00 0.00 175.30 176.98 2uva s ALA 1573N 1.65 3.69 1.29 2.13 0.00 -0.96 -4.90 121.76 124.67 2uva s ALA 1573Ca -0.01 1.35 -0.21 0.00 0.00 0.00 0.00 51.96 53.08 2uva s ALA 1573Cb -0.13 -3.77 0.32 0.00 0.00 0.00 0.00 23.12 19.54 2uva s ALA 1573CO -0.03 -1.31 1.07 -2.14 0.00 0.00 0.00 175.76 173.35 2uva s PRO 1574N 3.26 -1.89 -0.06 0.00 0.02 -1.26 0.73 135.00 135.79 2uva s PRO 1574Ca 0.81 -0.12 -0.20 0.00 0.02 0.00 0.00 61.00 61.51 2uva s PRO 1574Cb -0.43 -1.52 -0.15 0.00 0.02 0.00 0.00 34.50 32.41 2uva s PRO 1574CO 0.37 -4.14 0.79 0.00 -0.33 0.00 0.00 177.00 173.69 2uva h ALA 1575N -2.89 -0.19 -3.01 -1.55 0.00 -1.93 -3.06 119.26 106.64 2uva h ALA 1575Ca -0.43 -0.23 -0.66 0.00 0.00 0.00 0.00 54.91 53.60 2uva h ALA 1575Cb 1.30 0.07 -0.27 0.00 0.00 0.00 0.00 17.79 18.89 2uva h ALA 1575CO 0.29 -0.26 -0.70 0.45 0.00 0.00 0.00 179.25 179.03 2uva s SER 1576N -5.53 4.48 0.54 0.00 0.15 -1.26 -4.83 113.70 107.25 2uva s SER 1576Ca -0.12 -0.41 0.27 0.00 0.70 0.00 0.00 55.95 56.38 2uva s SER 1576Cb 0.00 -1.77 1.54 0.00 -1.71 0.00 0.00 66.02 64.08 2uva s SER 1576CO 0.45 -0.04 2.14 0.78 1.20 0.00 0.00 173.24 177.77 2uva h ASN 1577N 8.13 0.00 -0.90 5.45 2.35 -1.86 -3.12 115.58 125.64 2uva h ASN 1577Ca -0.40 0.00 0.17 0.00 -0.55 0.00 0.00 56.30 55.52 2uva h ASN 1577Cb 1.16 0.00 -0.17 0.00 0.05 0.00 0.00 38.32 39.36 2uva h ASN 1577CO 0.60 0.08 -0.27 -0.33 -1.65 0.00 0.00 177.43 175.86 2uva h GLU 1578N 0.00 -0.01 -0.96 0.81 5.08 -1.93 0.22 114.58 117.78 2uva h GLU 1578Ca -0.00 0.00 0.23 0.00 -1.00 0.00 0.00 59.36 58.59 2uva h GLU 1578Cb 0.20 0.00 -0.18 0.00 0.50 0.00 0.00 28.75 29.27 2uva h GLU 1578CO 0.01 -0.01 -0.09 0.09 -1.00 0.00 0.00 179.01 178.01 2uva n ASN 1579N -5.55 -0.21 0.05 1.42 3.02 -1.18 -1.00 115.26 111.81 2uva n ASN 1579Ca 0.12 1.64 -0.10 0.00 -0.03 0.00 0.00 54.58 56.21 2uva n ASN 1579Cb 0.44 -0.55 -0.07 0.00 -0.61 0.00 0.00 39.78 38.98 2uva n ASN 1579CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 2uva h TYR 1580N 0.00 -0.20 -1.00 3.10 3.20 -1.23 -3.21 116.97 117.63 2uva h TYR 1580Ca 0.53 -0.00 0.39 0.00 3.14 0.00 0.00 58.73 62.78 2uva h TYR 1580Cb 0.99 0.07 -0.18 0.00 1.54 0.00 0.00 36.73 39.14 2uva h TYR 1580CO -0.60 0.21 0.42 0.00 -1.64 0.00 0.00 178.16 176.55 2uva n ALA 1581N -2.59 0.91 0.13 1.82 0.00 -0.17 -0.12 120.51 120.48 2uva n ALA 1581Ca -0.07 1.03 -0.13 0.00 0.00 0.00 0.00 53.44 54.27 2uva n ALA 1581Cb 0.25 -0.96 -0.08 0.00 0.00 0.00 0.00 19.45 18.66 2uva n ALA 1581CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2uva h ARG 1582N 0.00 -0.32 0.00 0.00 3.08 -1.21 -1.83 114.38 114.10 2uva h ARG 1582Ca 0.79 0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.86 2uva h ARG 1582Cb 2.02 0.07 0.00 0.00 0.08 0.00 0.00 29.97 32.14 2uva h ARG 1582CO -0.81 -0.01 0.00 0.28 -1.07 0.00 0.00 179.97 178.36 2uva n VAL 1583N -5.10 0.20 -0.13 2.04 0.31 0.83 -3.93 118.33 112.55 2uva n VAL 1583Ca -0.09 0.05 -0.25 0.00 -0.01 0.00 0.00 64.34 64.04 2uva n VAL 1583Cb 0.24 -0.62 -0.08 0.00 -0.91 0.00 0.00 33.84 32.47 2uva n VAL 1583CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 2uva n SER 1584N -1.36 1.95 0.00 4.52 3.41 0.06 -4.87 113.62 117.33 2uva n SER 1584Ca 0.10 0.34 0.00 0.00 -0.26 0.00 0.00 58.87 59.05 2uva n SER 1584Cb 0.24 -0.80 0.00 0.00 -0.26 0.00 0.00 64.21 63.39 2uva n SER 1584CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2uva n GLY 1585N 1.31 2.05 3.49 5.00 0.00 -0.69 -4.73 105.19 111.61 2uva n GLY 1585Ca -0.45 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.15 2uva n GLY 1585CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2uva s ASP 1586N -1.88 6.49 0.00 1.61 2.15 -1.23 -4.76 116.67 119.04 2uva s ASP 1586Ca 0.00 -1.60 0.27 0.00 0.43 0.00 0.00 52.55 51.65 2uva s ASP 1586Cb 0.00 -2.46 0.84 0.00 -0.30 0.00 0.00 42.92 41.00 2uva s ASP 1586CO 0.00 -1.31 1.62 -1.22 -0.17 0.00 0.00 175.17 174.10 2uva n TYR 1587N 7.61 0.00 0.00 -5.34 4.02 -1.26 -4.44 117.16 117.75 2uva n TYR 1587Ca 0.21 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.10 2uva n TYR 1587Cb 0.49 -0.20 0.00 0.00 -0.02 0.00 0.00 39.34 39.61 2uva n TYR 1587CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 2uva n ASN 1588N -1.04 0.00 0.31 7.72 2.85 -1.26 -4.74 115.26 119.10 2uva n ASN 1588Ca 0.10 0.00 0.18 0.00 -0.11 0.00 0.00 54.58 54.75 2uva n ASN 1588Cb 0.33 0.00 1.02 0.00 1.24 0.00 0.00 39.78 42.37 2uva n ASN 1588CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 2uva h PRO 1589N 0.00 0.00 -0.61 1.20 0.11 -1.93 -2.83 132.00 127.94 2uva h PRO 1589Ca 0.00 0.00 0.12 0.00 0.11 0.00 0.00 66.00 66.23 2uva h PRO 1589Cb 0.00 0.00 -0.09 0.00 0.11 0.00 0.00 31.00 31.02 2uva h PRO 1589CO 0.00 0.01 0.09 0.82 -0.21 0.00 0.00 178.00 178.71 2uva h ILE 1590N 0.00 0.58 0.00 4.15 2.04 -1.87 -1.70 117.51 120.71 2uva h ILE 1590Ca -0.00 -0.07 0.00 0.00 1.00 0.00 0.00 64.86 65.79 2uva h ILE 1590Cb 0.02 0.35 0.00 0.00 -0.74 0.00 0.00 36.82 36.45 2uva h ILE 1590CO 0.00 0.04 -0.43 0.45 0.00 0.00 0.00 178.15 178.21 2uva h HIS 1591N 0.21 0.00 0.00 1.37 3.86 -1.70 -3.32 115.15 115.58 2uva h HIS 1591Ca 0.32 0.00 -0.08 0.00 -1.16 0.00 0.00 60.37 59.45 2uva h HIS 1591Cb 0.51 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.96 2uva h HIS 1591CO -0.28 0.00 -0.95 0.28 0.86 0.00 0.00 177.93 177.84 2uva n VAL 1592N -2.53 0.90 -1.85 2.45 0.31 -1.09 -4.57 118.33 111.95 2uva n VAL 1592Ca 0.03 0.09 -0.30 0.00 -0.01 0.00 0.00 64.34 64.14 2uva n VAL 1592Cb 0.49 -1.73 0.03 0.00 -0.91 0.00 0.00 33.84 31.72 2uva n VAL 1592CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 2uva s SER 1593N -5.90 5.73 -0.17 4.52 1.04 -0.66 -4.95 113.70 113.32 2uva s SER 1593Ca -0.11 1.28 -0.18 0.00 0.48 0.00 0.00 55.95 57.42 2uva s SER 1593Cb 0.03 -2.18 -0.15 0.00 0.10 0.00 0.00 66.02 63.83 2uva s SER 1593CO 0.15 -1.17 0.22 -0.09 0.98 0.00 0.00 173.24 173.33 2uva h ARG 1594N -0.54 0.00 -0.32 4.02 2.43 -1.93 -3.35 114.38 114.69 2uva h ARG 1594Ca -0.45 0.00 -0.09 0.00 -0.81 0.00 0.00 59.98 58.64 2uva h ARG 1594Cb 1.23 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.76 2uva h ARG 1594CO 0.63 0.66 -0.16 -0.39 -1.51 0.00 0.00 179.97 179.20 2uva h VAL 1595N -1.00 1.25 0.78 0.20 -1.51 -1.94 -0.67 116.25 113.35 2uva h VAL 1595Ca -0.16 -1.14 -0.04 0.00 -1.23 0.00 0.00 66.70 64.13 2uva h VAL 1595Cb 0.91 1.18 0.01 0.00 -2.13 0.00 0.00 31.29 31.26 2uva h VAL 1595CO -0.09 0.37 -0.37 -0.26 -1.23 0.00 0.00 177.57 175.99 2uva h PHE 1596N 0.52 -0.97 -0.91 5.19 -1.00 -1.85 -2.24 116.94 115.70 2uva h PHE 1596Ca 0.09 -0.02 0.09 0.00 2.81 0.00 0.00 57.97 60.93 2uva h PHE 1596Cb 0.58 0.32 -0.07 0.00 3.61 0.00 0.00 35.95 40.39 2uva h PHE 1596CO 0.02 -0.59 0.56 0.66 -1.61 0.00 0.00 178.31 177.35 2uva h SER 1597N -1.22 0.84 -0.32 2.17 4.64 -1.69 -1.38 113.55 116.60 2uva h SER 1597Ca -0.11 0.03 0.08 0.00 -0.47 0.00 0.00 61.79 61.32 2uva h SER 1597Cb 0.81 -0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 62.75 2uva h SER 1597CO 0.17 0.50 0.23 0.28 -0.87 0.00 0.00 176.83 177.14 2uva h SER 1598N 0.96 0.06 0.17 4.97 0.02 -1.05 -1.73 113.55 116.96 2uva h SER 1598Ca 0.42 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 61.25 2uva h SER 1598Cb 0.30 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 62.82 2uva h SER 1598CO -0.22 0.04 -0.46 0.22 -1.14 0.00 0.00 176.83 175.28 2uva h TYR 1599N 0.07 0.41 -0.41 3.45 3.20 -0.61 -3.14 116.97 119.94 2uva h TYR 1599Ca 0.15 -0.12 0.00 0.00 3.14 0.00 0.00 58.73 61.89 2uva h TYR 1599Cb 0.50 -0.09 0.00 0.00 1.54 0.00 0.00 36.73 38.69 2uva h TYR 1599CO -0.00 0.74 0.00 0.00 -1.64 0.00 0.00 178.16 177.26 2uva n ALA 1600N -2.48 2.81 -3.17 1.82 0.00 -0.66 -4.96 120.51 113.87 2uva n ALA 1600Ca -0.02 -0.94 -0.09 0.00 0.00 0.00 0.00 53.44 52.39 2uva n ALA 1600Cb 0.52 -1.01 0.04 0.00 0.00 0.00 0.00 19.45 19.01 2uva n ALA 1600CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2uva n ASN 1601N 0.63 -7.07 -4.59 0.00 3.02 -1.19 -4.94 115.26 101.13 2uva n ASN 1601Ca 0.16 -0.47 -0.24 0.00 -0.03 0.00 0.00 54.58 54.00 2uva n ASN 1601Cb 0.56 -5.24 -0.09 0.00 -0.61 0.00 0.00 39.78 34.41 2uva n ASN 1601CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2uva s LEU 1602N -4.86 2.90 0.63 3.41 1.43 -1.23 -4.98 118.68 115.98 2uva s LEU 1602Ca 0.29 -0.96 0.42 0.00 -1.03 0.00 0.00 54.13 52.84 2uva s LEU 1602Cb -0.04 -1.32 2.30 0.00 0.03 0.00 0.00 46.19 47.17 2uva s LEU 1602CO 0.74 -0.13 2.29 -0.65 0.23 0.00 0.00 176.35 178.84 2uva h PRO 1603N 1.95 0.00 0.00 1.29 0.11 -1.96 -3.46 132.00 129.93 2uva h PRO 1603Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 2uva h PRO 1603Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 2uva h PRO 1603CO 0.65 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.85 2uva n GLY 1604N -1.11 2.80 3.24 -0.55 0.00 -1.26 -4.93 105.19 103.38 2uva n GLY 1604Ca -0.03 -1.42 -0.22 0.00 0.00 0.00 0.00 46.02 44.35 2uva n GLY 1604CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2uva n THR 1605N 1.38 -1.10 -1.55 2.61 -1.04 -1.25 -4.79 114.28 108.55 2uva n THR 1605Ca 0.00 0.00 -0.58 0.00 -2.04 0.00 0.00 64.05 61.43 2uva n THR 1605Cb 0.00 -2.03 -0.08 0.00 -1.82 0.00 0.00 70.33 66.40 2uva n THR 1605CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05 2uva n ILE 1606N -3.96 0.01 -1.05 12.58 5.41 -1.25 -4.43 119.36 126.67 2uva n ILE 1606Ca -0.04 -0.00 -0.34 0.00 1.00 0.00 0.00 62.75 63.37 2uva n ILE 1606Cb 0.56 -0.25 0.12 0.00 -0.71 0.00 0.00 39.64 39.35 2uva n ILE 1606CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 176.55 176.96 2uva n THR 1607N 2.02 1.45 -1.94 1.39 -1.04 0.19 -4.38 114.28 111.96 2uva n THR 1607Ca 0.21 -0.23 -0.42 0.00 -2.04 0.00 0.00 64.05 61.57 2uva n THR 1607Cb 0.09 -0.98 -0.03 0.00 -1.82 0.00 0.00 70.33 67.60 2uva n THR 1607CO 0.00 0.00 0.00 -1.00 -0.64 0.00 0.00 175.07 173.43 2uva s HIS 1608N -2.17 2.23 0.16 -1.42 0.09 -1.26 -4.73 115.29 108.18 2uva s HIS 1608Ca 0.68 0.25 -0.24 0.00 -0.00 0.00 0.00 55.06 55.75 2uva s HIS 1608Cb -0.28 -3.96 0.04 0.00 -0.00 0.00 0.00 32.58 28.38 2uva s HIS 1608CO 0.56 -3.92 1.59 0.78 -0.00 0.00 0.00 174.74 173.75 2uva h GLY 1609N 9.18 -0.34 2.00 -2.22 0.00 -1.91 -0.39 103.07 109.39 2uva h GLY 1609Ca -0.42 0.44 0.00 0.00 0.00 0.00 0.00 47.33 47.35 2uva h GLY 1609CO 0.94 -0.20 0.00 -0.33 0.00 0.00 0.00 176.54 176.94 2uva h MET 1610N -0.29 0.00 0.10 4.80 2.86 -1.92 -3.04 114.93 117.43 2uva h MET 1610Ca 0.16 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.79 2uva h MET 1610Cb 0.55 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.21 2uva h MET 1610CO -0.53 0.00 -0.05 -0.92 1.06 0.00 0.00 176.91 176.48 2uva h TYR 1611N 0.00 -0.12 -0.33 -0.22 3.20 -1.46 -1.43 116.97 116.61 2uva h TYR 1611Ca 0.00 -0.00 0.06 0.00 3.14 0.00 0.00 58.73 61.93 2uva h TYR 1611Cb 0.43 0.04 -0.08 0.00 1.54 0.00 0.00 36.73 38.65 2uva h TYR 1611CO 0.00 0.33 -0.44 1.15 -1.64 0.00 0.00 178.16 177.56 2uva h THR 1612N -0.64 0.10 -0.44 1.81 2.02 -1.35 -1.05 112.91 113.38 2uva h THR 1612Ca -0.01 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.22 2uva h THR 1612Cb 0.51 0.10 -0.08 0.00 -1.74 0.00 0.00 68.15 66.94 2uva h THR 1612CO 0.02 0.00 -0.55 -1.28 0.37 0.00 0.00 175.52 174.08 2uva h SER 1613N -0.38 -1.85 -0.63 4.18 0.87 -1.52 -1.14 113.55 113.08 2uva h SER 1613Ca 0.11 0.24 0.11 0.00 -1.23 0.00 0.00 61.79 61.02 2uva h SER 1613Cb 0.60 0.76 -0.04 0.00 -0.44 0.00 0.00 62.40 63.28 2uva h SER 1613CO -0.53 -0.38 0.43 0.00 -0.53 0.00 0.00 176.83 175.81 2uva h ALA 1614N -0.04 2.03 0.47 6.23 0.00 -0.70 -0.44 119.26 126.81 2uva h ALA 1614Ca 0.08 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 2uva h ALA 1614Cb 0.57 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.28 2uva h ALA 1614CO -0.60 -0.18 -0.23 0.00 0.00 0.00 0.00 179.25 178.24 2uva h ALA 1615N 1.68 -0.64 -0.82 0.00 0.00 0.04 -2.53 119.26 116.99 2uva h ALA 1615Ca 0.30 -0.17 0.08 0.00 0.00 0.00 0.00 54.91 55.12 2uva h ALA 1615Cb 0.60 0.25 -0.06 0.00 0.00 0.00 0.00 17.79 18.58 2uva h ALA 1615CO -0.08 -0.62 0.54 -0.24 0.00 0.00 0.00 179.25 178.84 2uva h VAL 1616N -1.11 1.00 0.00 0.00 3.04 -1.31 -1.10 116.25 116.78 2uva h VAL 1616Ca -0.07 -0.29 -0.00 0.00 -1.01 0.00 0.00 66.70 65.33 2uva h VAL 1616Cb 0.55 0.08 -0.00 0.00 -2.01 0.00 0.00 31.29 29.91 2uva h VAL 1616CO 0.11 0.15 -0.01 -0.09 -1.01 0.00 0.00 177.57 176.72 2uva h ARG 1617N 0.85 0.00 -0.25 4.17 1.12 -1.00 -0.66 114.38 118.60 2uva h ARG 1617Ca 0.37 0.00 -0.14 0.00 -1.11 0.00 0.00 59.98 59.10 2uva h ARG 1617Cb 0.32 0.00 -0.00 0.00 -0.01 0.00 0.00 29.97 30.28 2uva h ARG 1617CO -0.14 0.01 -0.37 1.03 -3.11 0.00 0.00 179.97 177.39 2uva h SER 1618N 0.00 0.77 -0.50 -3.80 0.87 -0.75 -2.66 113.55 107.48 2uva h SER 1618Ca -0.00 -0.51 0.03 0.00 -1.23 0.00 0.00 61.79 60.08 2uva h SER 1618Cb 0.03 -0.22 -0.04 0.00 -0.44 0.00 0.00 62.40 61.74 2uva h SER 1618CO 0.00 1.13 0.27 -0.07 -0.53 0.00 0.00 176.83 177.63 2uva h LEU 1619N 0.43 0.41 -1.93 2.23 3.38 -1.15 -0.53 115.31 118.14 2uva h LEU 1619Ca 0.03 0.02 0.06 0.00 0.09 0.00 0.00 57.88 58.08 2uva h LEU 1619Cb 0.96 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.63 2uva h LEU 1619CO 0.09 0.29 0.19 0.58 0.09 0.00 0.00 178.44 179.68 2uva h VAL 1620N 0.54 0.90 0.22 1.22 2.07 -1.29 0.42 116.25 120.33 2uva h VAL 1620Ca 0.21 -0.03 -0.01 0.00 0.82 0.00 0.00 66.70 67.69 2uva h VAL 1620Cb 0.08 0.81 0.00 0.00 -1.52 0.00 0.00 31.29 30.67 2uva h VAL 1620CO -0.13 0.02 -0.10 -0.33 0.02 0.00 0.00 177.57 177.04 2uva h GLU 1621N 0.08 -0.28 -0.08 1.57 5.08 -0.79 -2.88 114.58 117.28 2uva h GLU 1621Ca 0.13 0.02 -0.14 0.00 -1.00 0.00 0.00 59.36 58.37 2uva h GLU 1621Cb 0.40 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.70 2uva h GLU 1621CO -0.01 0.04 -0.56 1.15 -1.00 0.00 0.00 179.01 178.63 2uva h THR 1622N -0.97 1.37 0.04 1.13 2.02 -0.85 -1.96 112.91 113.69 2uva h THR 1622Ca -0.03 -1.89 -0.27 0.00 0.77 0.00 0.00 66.41 64.99 2uva h THR 1622Cb 0.45 1.93 -0.03 0.00 -1.74 0.00 0.00 68.15 68.77 2uva h THR 1622CO 0.05 0.56 -1.45 -0.50 0.37 0.00 0.00 175.52 174.55 2uva h TRP 1623N 0.19 0.16 0.00 3.16 4.06 -0.31 -3.05 115.95 120.16 2uva h TRP 1623Ca -0.00 -0.12 -0.20 0.00 2.06 0.00 0.00 58.89 60.63 2uva h TRP 1623Cb 1.05 -0.01 -0.03 0.00 -1.00 0.00 0.00 29.16 29.18 2uva h TRP 1623CO 0.02 1.15 -1.55 0.00 -3.56 0.00 0.00 178.44 174.50 2uva n ALA 1624N -2.54 1.83 1.79 1.49 0.00 -1.09 -4.51 120.51 117.48 2uva n ALA 1624Ca -0.12 -0.63 0.15 0.00 0.00 0.00 0.00 53.44 52.84 2uva n ALA 1624Cb 1.02 0.23 0.88 0.00 0.00 0.00 0.00 19.45 21.57 2uva n ALA 1624CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2uva n ALA 1625N -3.87 2.60 -3.63 0.00 0.00 -0.97 -4.94 120.51 109.71 2uva n ALA 1625Ca -0.26 -0.18 -0.23 0.00 0.00 0.00 0.00 53.44 52.77 2uva n ALA 1625Cb 0.61 -1.50 0.00 0.00 0.00 0.00 0.00 19.45 18.56 2uva n ALA 1625CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2uva n GLU 1626N -1.09 -1.03 0.00 0.00 0.28 -0.78 -2.69 120.64 115.33 2uva n GLU 1626Ca 0.21 0.44 0.00 0.00 -0.16 0.00 0.00 57.16 57.64 2uva n GLU 1626Cb 0.15 -1.72 0.00 0.00 1.43 0.00 0.00 31.44 31.30 2uva n GLU 1626CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 2uva n ASN 1627N -1.85 0.00 -4.30 -1.84 3.02 -1.12 -4.95 115.26 104.22 2uva n ASN 1627Ca -0.22 0.00 -0.44 0.00 -0.03 0.00 0.00 54.58 53.89 2uva n ASN 1627Cb 0.52 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.68 2uva n ASN 1627CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 2uva s ASN 1628N -3.17 6.98 0.42 6.41 0.01 -1.10 -4.80 114.94 119.70 2uva s ASN 1628Ca 0.00 -3.43 0.26 0.00 -0.71 0.00 0.00 52.86 48.98 2uva s ASN 1628Cb 0.00 -2.16 1.32 0.00 0.41 0.00 0.00 41.25 40.83 2uva s ASN 1628CO 0.00 -0.33 1.66 0.40 -1.51 0.00 0.00 177.10 177.33 2uva h ILE 1629N 3.97 0.23 -0.92 0.60 2.04 -1.91 -0.73 117.51 120.79 2uva h ILE 1629Ca 0.16 -0.06 0.26 0.00 1.00 0.00 0.00 64.86 66.22 2uva h ILE 1629Cb 0.90 0.04 -0.16 0.00 -0.74 0.00 0.00 36.82 36.86 2uva h ILE 1629CO 0.94 0.03 0.20 1.23 0.00 0.00 0.00 178.15 180.54 2uva h GLY 1630N 0.17 1.39 -0.04 5.37 0.00 -1.97 -2.39 103.07 105.61 2uva h GLY 1630Ca 0.76 0.01 0.02 0.00 0.00 0.00 0.00 47.33 48.12 2uva h GLY 1630CO -0.41 -0.45 -0.33 3.21 0.00 0.00 0.00 176.54 178.56 2uva h ARG 1631N 0.13 -0.38 -5.40 4.80 3.08 -1.46 -3.37 114.38 111.78 2uva h ARG 1631Ca 0.59 0.03 -0.43 0.00 0.07 0.00 0.00 59.98 60.24 2uva h ARG 1631Cb 1.24 0.09 -0.02 0.00 0.08 0.00 0.00 29.97 31.35 2uva h ARG 1631CO -0.74 -0.25 1.54 1.55 -1.07 0.00 0.00 179.97 181.00 2uva n VAL 1632N -4.33 -0.06 1.02 2.04 3.14 -0.90 -2.13 118.33 117.12 2uva n VAL 1632Ca -0.04 -0.56 0.11 0.00 -2.96 0.00 0.00 64.34 60.89 2uva n VAL 1632Cb 0.24 -2.03 -0.00 0.00 -1.06 0.00 0.00 33.84 30.98 2uva n VAL 1632CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 2uva n ARG 1633N 8.73 0.44 -3.55 1.45 5.12 -0.97 -4.95 116.66 122.92 2uva n ARG 1633Ca 0.47 -0.35 -0.16 0.00 -1.93 0.00 0.00 57.85 55.87 2uva n ARG 1633Cb 0.39 -1.49 -0.06 0.00 -1.16 0.00 0.00 32.46 30.13 2uva n ARG 1633CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 2uva s SER 1634N -2.80 -0.66 -0.20 0.55 0.15 -1.22 -1.71 113.70 107.81 2uva s SER 1634Ca 0.13 0.89 -0.12 0.00 0.70 0.00 0.00 55.95 57.55 2uva s SER 1634Cb 0.17 0.77 0.06 0.00 -1.71 0.00 0.00 66.02 65.31 2uva s SER 1634CO 0.73 -0.50 0.49 -0.47 1.20 0.00 0.00 173.24 174.69 2uva s TYR 1635N -0.76 -0.69 -0.13 3.44 5.04 -1.14 -1.17 117.35 121.94 2uva s TYR 1635Ca -0.07 1.48 -0.06 0.00 -2.44 0.00 0.00 57.07 55.97 2uva s TYR 1635Cb -0.01 0.33 0.05 0.00 0.35 0.00 0.00 41.96 42.68 2uva s TYR 1635CO 0.07 -0.37 0.29 -1.58 -1.34 0.00 0.00 175.55 172.62 2uva s HIS 1636N 1.23 -0.43 -0.01 4.97 5.65 -0.84 -1.53 115.29 124.35 2uva s HIS 1636Ca -0.08 0.96 0.04 0.00 0.25 0.00 0.00 55.06 56.23 2uva s HIS 1636Cb -0.07 0.09 -0.01 0.00 -1.18 0.00 0.00 32.58 31.41 2uva s HIS 1636CO -0.12 -0.29 -0.13 0.08 -0.65 0.00 0.00 174.74 173.63 2uva s VAL 1637N 1.59 1.06 -0.41 0.89 1.01 -1.06 -2.63 120.40 120.86 2uva s VAL 1637Ca -0.07 -0.58 -0.13 0.00 0.00 0.00 0.00 61.98 61.20 2uva s VAL 1637Cb -0.10 -0.89 0.04 0.00 0.00 0.00 0.00 36.38 35.43 2uva s VAL 1637CO -0.10 0.30 0.29 0.20 0.00 0.00 0.00 175.10 175.79 2uva s ASN 1638N -0.31 5.96 0.13 3.32 0.02 -0.53 -2.40 114.94 121.14 2uva s ASN 1638Ca 0.05 -1.07 -0.30 0.00 -1.02 0.00 0.00 52.86 50.53 2uva s ASN 1638Cb -0.05 -2.11 -0.07 0.00 0.02 0.00 0.00 41.25 39.04 2uva s ASN 1638CO -0.01 -0.48 1.09 0.00 0.02 0.00 0.00 177.10 177.72 2uva s MET 1639N 1.61 4.58 0.00 -0.60 0.23 -0.99 -2.32 119.30 121.82 2uva s MET 1639Ca 0.04 1.66 0.00 0.00 -1.03 0.00 0.00 55.69 56.36 2uva s MET 1639Cb -0.20 -3.32 0.00 0.00 -1.53 0.00 0.00 34.83 29.78 2uva s MET 1639CO 0.08 0.03 0.00 1.33 -2.03 0.00 0.00 175.02 174.43 2uva n VAL 1640N 2.83 0.00 -3.69 5.16 0.24 -0.12 -4.82 118.33 117.93 2uva n VAL 1640Ca 0.04 0.00 -0.38 0.00 -2.04 0.00 0.00 64.34 61.96 2uva n VAL 1640Cb 0.47 0.54 -0.12 0.00 -1.47 0.00 0.00 33.84 33.26 2uva n VAL 1640CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 2uva s GLY 1641N 0.00 1.84 -0.48 7.63 0.00 -0.75 -4.88 107.32 110.68 2uva s GLY 1641Ca 0.00 -1.34 -0.28 0.00 0.00 0.00 0.00 44.72 43.10 2uva s GLY 1641CO 0.00 0.66 1.47 1.06 0.00 0.00 0.00 173.10 176.29 2uva s MET 1642N 1.60 3.38 -0.21 2.90 -1.94 -1.26 -4.81 119.30 118.97 2uva s MET 1642Ca 0.05 0.76 -0.25 0.00 -1.71 0.00 0.00 55.69 54.54 2uva s MET 1642Cb -0.17 -4.10 -0.01 0.00 2.01 0.00 0.00 34.83 32.56 2uva s MET 1642CO 0.05 -1.82 0.81 0.08 -0.01 0.00 0.00 175.02 174.14 2uva s VAL 1643N 6.05 4.87 0.59 -6.03 1.01 -1.26 -4.96 120.40 120.67 2uva s VAL 1643Ca 0.60 1.56 -0.11 0.00 0.00 0.00 0.00 61.98 64.03 2uva s VAL 1643Cb -0.13 -4.11 -0.04 0.00 0.00 0.00 0.00 36.38 32.10 2uva s VAL 1643CO 0.29 -0.01 0.99 -0.76 0.00 0.00 0.00 175.10 175.61 2uva s LEU 1644N 2.44 3.32 0.29 3.92 1.43 -1.26 0.57 118.68 129.38 2uva s LEU 1644Ca 0.36 1.37 -0.29 0.00 -1.03 0.00 0.00 54.13 54.54 2uva s LEU 1644Cb -0.16 -4.40 -0.10 0.00 0.03 0.00 0.00 46.19 41.57 2uva s LEU 1644CO 0.10 -0.81 1.25 -2.84 0.23 0.00 0.00 176.35 174.28 2uva s PRO 1645N -5.02 4.44 -0.28 1.29 0.02 -1.26 -3.05 135.00 131.13 2uva s PRO 1645Ca 0.54 2.07 0.00 0.00 0.02 0.00 0.00 61.00 63.63 2uva s PRO 1645Cb -0.11 -3.13 0.00 0.00 0.02 0.00 0.00 34.50 31.28 2uva s PRO 1645CO 0.51 -0.10 0.00 0.09 -0.33 0.00 0.00 177.00 177.17 2uva n ASN 1646N 1.36 -3.47 -4.84 2.53 5.03 0.22 -4.97 115.26 111.13 2uva n ASN 1646Ca 0.01 0.06 -0.32 0.00 0.87 0.00 0.00 54.58 55.21 2uva n ASN 1646Cb 0.43 -1.20 0.01 0.00 -1.02 0.00 0.00 39.78 38.00 2uva n ASN 1646CO 0.00 0.00 0.00 -1.81 -1.83 0.00 0.00 177.26 173.62 2uva s ASP 1647N -2.68 5.95 -0.27 6.41 1.01 -1.17 -4.81 116.67 121.11 2uva s ASP 1647Ca 0.00 1.58 -0.13 0.00 0.71 0.00 0.00 52.55 54.71 2uva s ASP 1647Cb 0.00 -2.50 -0.04 0.00 1.01 0.00 0.00 42.92 41.39 2uva s ASP 1647CO 0.00 -1.06 0.28 0.00 0.21 0.00 0.00 175.17 174.60 2uva s ALA 1648N -2.90 3.55 -0.07 5.23 0.00 -1.26 -2.26 121.76 124.05 2uva s ALA 1648Ca 0.58 -0.95 -0.01 0.00 0.00 0.00 0.00 51.96 51.58 2uva s ALA 1648Cb -0.13 -2.59 -0.03 0.00 0.00 0.00 0.00 23.12 20.37 2uva s ALA 1648CO 0.47 -0.59 0.00 0.42 0.00 0.00 0.00 175.76 176.07 2uva s ILE 1649N 1.88 4.30 -0.14 0.00 1.01 0.12 -1.05 121.20 127.32 2uva s ILE 1649Ca 0.11 -0.30 0.02 0.00 0.00 0.00 0.00 60.65 60.48 2uva s ILE 1649Cb -0.16 -2.83 0.01 0.00 0.01 0.00 0.00 42.46 39.49 2uva s ILE 1649CO 0.10 0.56 -0.21 -0.89 0.00 0.00 0.00 174.94 174.50 2uva s THR 1650N -0.92 2.12 -0.10 2.92 2.01 0.60 0.14 115.64 122.40 2uva s THR 1650Ca 0.15 -0.96 0.02 0.00 0.31 0.00 0.00 61.69 61.20 2uva s THR 1650Cb -0.11 -1.85 -0.02 0.00 0.01 0.00 0.00 72.50 70.53 2uva s THR 1650CO 0.04 0.55 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.67 2uva s VAL 1651N 0.78 2.86 0.03 3.82 1.01 0.54 -0.04 120.40 129.40 2uva s VAL 1651Ca -0.08 -0.75 0.08 0.00 0.00 0.00 0.00 61.98 61.23 2uva s VAL 1651Cb -0.16 -2.16 -0.03 0.00 0.00 0.00 0.00 36.38 34.04 2uva s VAL 1651CO -0.01 0.55 -0.22 -0.54 0.00 0.00 0.00 175.10 174.88 2uva s LYS 1652N 0.01 1.97 -0.14 2.72 1.02 0.39 -2.27 119.74 123.43 2uva s LYS 1652Ca -0.05 -1.02 -0.02 0.00 0.02 0.00 0.00 55.97 54.90 2uva s LYS 1652Cb -0.14 -2.09 0.04 0.00 -0.52 0.00 0.00 37.83 35.12 2uva s LYS 1652CO 0.04 0.53 -0.00 -0.51 -0.92 0.00 0.00 175.35 174.49 2uva s LEU 1653N -1.25 1.09 0.12 3.17 1.43 -1.26 -2.21 118.68 119.77 2uva s LEU 1653Ca 0.13 -0.52 0.07 0.00 -1.03 0.00 0.00 54.13 52.78 2uva s LEU 1653Cb -0.10 -0.63 -0.04 0.00 0.03 0.00 0.00 46.19 45.44 2uva s LEU 1653CO 0.03 -0.23 -0.07 -1.61 0.23 0.00 0.00 176.35 174.70 2uva s GLU 1654N 1.83 2.22 -1.10 1.70 2.02 -0.90 -0.14 118.70 124.34 2uva s GLU 1654Ca 0.02 -1.03 -0.05 0.00 0.02 0.00 0.00 54.97 53.93 2uva s GLU 1654Cb -0.15 -2.33 0.29 0.00 0.10 0.00 0.00 34.13 32.04 2uva s GLU 1654CO -0.07 0.50 1.54 1.58 0.02 0.00 0.00 175.26 178.82 2uva n HIS 1655N 0.49 2.30 1.34 1.61 -0.00 0.13 -1.60 115.22 119.48 2uva n HIS 1655Ca -0.12 -2.59 0.14 0.00 -0.00 0.00 0.00 57.72 55.15 2uva n HIS 1655Cb 0.53 -1.33 0.67 0.00 -0.00 0.00 0.00 29.99 29.86 2uva n HIS 1655CO 0.00 0.00 0.00 1.55 -0.00 0.00 0.00 176.34 177.89 2uva n VAL 1656N 1.54 0.00 -3.54 3.57 3.14 -1.14 -3.53 118.33 118.37 2uva n VAL 1656Ca 0.28 -0.02 -0.03 0.00 -2.96 0.00 0.00 64.34 61.62 2uva n VAL 1656Cb 0.33 -0.36 0.01 0.00 -1.06 0.00 0.00 33.84 32.77 2uva n VAL 1656CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2uva n GLY 1657N 1.33 1.18 3.00 7.55 0.00 -1.23 -3.12 105.19 113.91 2uva n GLY 1657Ca 0.13 -1.07 -0.12 0.00 0.00 0.00 0.00 46.02 44.96 2uva n GLY 1657CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2uva s MET 1658N -2.03 0.15 -0.09 1.61 -1.94 -0.85 -1.27 119.30 114.88 2uva s MET 1658Ca 0.10 0.19 -0.04 0.00 -1.71 0.00 0.00 55.69 54.23 2uva s MET 1658Cb -0.02 0.06 0.05 0.00 2.01 0.00 0.00 34.83 36.93 2uva s MET 1658CO 0.04 -0.03 0.18 0.42 -0.01 0.00 0.00 175.02 175.62 2uva s ILE 1659N 0.12 -0.23 -1.41 2.53 1.01 0.28 -1.34 121.20 122.15 2uva s ILE 1659Ca -0.00 0.30 -0.01 0.00 0.00 0.00 0.00 60.65 60.94 2uva s ILE 1659Cb -0.01 -0.31 0.00 0.00 0.01 0.00 0.00 42.46 42.14 2uva s ILE 1659CO -0.00 0.13 0.39 0.00 0.00 0.00 0.00 174.94 175.46 2uva n ALA 1660N 5.06 -2.03 -1.02 9.38 0.00 -1.26 -0.46 120.51 130.19 2uva n ALA 1660Ca -0.10 -0.28 -0.01 0.00 0.00 0.00 0.00 53.44 53.05 2uva n ALA 1660Cb 0.50 -1.48 -0.00 0.00 0.00 0.00 0.00 19.45 18.47 2uva n ALA 1660CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2uva n GLY 1661N -2.02 0.37 3.36 0.00 0.00 -0.69 -4.50 105.19 101.71 2uva n GLY 1661Ca -0.31 -0.05 -0.32 0.00 0.00 0.00 0.00 46.02 45.33 2uva n GLY 1661CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2uva s ARG 1662N -0.88 2.93 -0.12 1.61 0.52 0.40 -3.93 118.95 119.47 2uva s ARG 1662Ca 0.00 -0.76 -0.29 0.00 -0.52 0.00 0.00 55.73 54.16 2uva s ARG 1662Cb 0.00 -2.42 -0.02 0.00 0.52 0.00 0.00 34.95 33.02 2uva s ARG 1662CO 0.00 0.36 1.28 0.15 0.02 0.00 0.00 175.30 177.11 2uva s LYS 1663N -0.06 4.26 0.30 3.54 1.02 0.58 -0.56 119.74 128.82 2uva s LYS 1663Ca -0.04 1.72 -0.28 0.00 0.02 0.00 0.00 55.97 57.39 2uva s LYS 1663Cb -0.14 -3.71 -0.09 0.00 -0.52 0.00 0.00 37.83 33.36 2uva s LYS 1663CO 0.04 -0.64 1.04 0.42 -0.92 0.00 0.00 175.35 175.29 2uva s ILE 1664N 3.13 3.72 -0.23 2.17 1.01 -0.40 -1.78 121.20 128.83 2uva s ILE 1664Ca 0.57 1.61 -0.04 0.00 0.00 0.00 0.00 60.65 62.79 2uva s ILE 1664Cb -0.24 -3.97 0.08 0.00 0.01 0.00 0.00 42.46 38.34 2uva s ILE 1664CO 0.18 0.29 0.09 -0.63 0.00 0.00 0.00 174.94 174.87 2uva s ILE 1665N -1.32 0.17 0.22 2.92 1.01 -0.59 -2.90 121.20 120.71 2uva s ILE 1665Ca 0.47 -0.57 -0.30 0.00 0.00 0.00 0.00 60.65 60.25 2uva s ILE 1665Cb -0.27 -0.92 -0.10 0.00 0.01 0.00 0.00 42.46 41.18 2uva s ILE 1665CO 0.35 -0.44 1.43 -0.75 0.00 0.00 0.00 174.94 175.52 2uva s LYS 1666N 2.00 4.29 -0.05 2.79 2.20 -0.63 -1.45 119.74 128.89 2uva s LYS 1666Ca 0.04 2.25 0.05 0.00 -0.36 0.00 0.00 55.97 57.96 2uva s LYS 1666Cb -0.16 -3.14 -0.01 0.00 -1.51 0.00 0.00 37.83 33.01 2uva s LYS 1666CO -0.19 -0.42 -0.21 0.08 -0.36 0.00 0.00 175.35 174.25 2uva s VAL 1667N 0.25 1.76 -0.07 4.02 1.01 0.16 -2.12 120.40 125.42 2uva s VAL 1667Ca 0.61 -0.91 -0.03 0.00 0.00 0.00 0.00 61.98 61.65 2uva s VAL 1667Cb -0.41 -1.50 0.04 0.00 0.00 0.00 0.00 36.38 34.52 2uva s VAL 1667CO 0.40 0.50 0.13 -0.62 0.00 0.00 0.00 175.10 175.51 2uva s ASP 1668N -0.12 0.74 -0.10 3.32 2.15 -0.94 -2.12 116.67 119.61 2uva s ASP 1668Ca -0.02 0.27 0.04 0.00 0.43 0.00 0.00 52.55 53.27 2uva s ASP 1668Cb -0.12 0.17 -0.00 0.00 -0.30 0.00 0.00 42.92 42.67 2uva s ASP 1668CO 0.03 -0.24 -0.24 0.00 -0.17 0.00 0.00 175.17 174.55 2uva s ALA 1669N 2.15 2.19 0.13 3.66 0.00 -0.97 -0.46 121.76 128.46 2uva s ALA 1669Ca 0.02 -0.97 0.04 0.00 0.00 0.00 0.00 51.96 51.05 2uva s ALA 1669Cb -0.12 -0.82 -0.04 0.00 0.00 0.00 0.00 23.12 22.14 2uva s ALA 1669CO -0.05 0.30 -0.10 1.03 0.00 0.00 0.00 175.76 176.94 2uva s ARG 1670N 0.30 1.00 -0.25 0.00 0.52 0.94 0.54 118.95 122.00 2uva s ARG 1670Ca -0.17 -1.38 -0.29 0.00 -0.52 0.00 0.00 55.73 53.37 2uva s ARG 1670Cb -0.18 -0.57 -0.03 0.00 0.52 0.00 0.00 34.95 34.70 2uva s ARG 1670CO 0.08 0.07 1.71 1.21 0.02 0.00 0.00 175.30 178.39 2uva s ASN 1671N -3.01 6.19 0.00 0.23 3.84 -0.22 -0.29 114.94 121.69 2uva s ASN 1671Ca 0.14 1.57 0.00 0.00 0.21 0.00 0.00 52.86 54.78 2uva s ASN 1671Cb 0.02 -2.53 0.00 0.00 -0.55 0.00 0.00 41.25 38.19 2uva s ASN 1671CO -0.00 -1.42 0.77 1.17 -2.79 0.00 0.00 177.10 174.83 2uva n LYS 1672N 7.95 0.00 -0.01 0.43 4.81 -0.22 -0.02 118.16 131.10 2uva n LYS 1672Ca 0.20 0.28 0.01 0.00 -0.87 0.00 0.00 58.31 57.94 2uva n LYS 1672Cb 0.46 -1.51 -0.03 0.00 0.02 0.00 0.00 35.03 33.96 2uva n LYS 1672CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 2uva n ASP 1673N -1.27 3.98 0.00 3.14 8.00 -1.26 -4.74 116.55 124.39 2uva n ASP 1673Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 2uva n ASP 1673Cb 0.01 1.08 0.00 0.00 -0.02 0.00 0.00 41.12 42.18 2uva n ASP 1673CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 2uva n THR 1674N -1.76 0.11 -1.93 -3.53 -2.24 -0.97 -5.01 114.28 98.95 2uva n THR 1674Ca -0.02 -0.28 -0.07 0.00 -2.27 0.00 0.00 64.05 61.41 2uva n THR 1674Cb 0.23 1.36 -0.01 0.00 -2.10 0.00 0.00 70.33 69.80 2uva n THR 1674CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2uva n ASP 1675N -0.05 -2.27 -4.75 3.42 8.00 0.97 -4.91 116.55 116.95 2uva n ASP 1675Ca 0.00 0.26 -0.40 0.00 0.71 0.00 0.00 54.79 55.36 2uva n ASP 1675Cb 0.19 -2.13 -0.05 0.00 -0.02 0.00 0.00 41.12 39.11 2uva n ASP 1675CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2uva s GLU 1676N -3.99 4.68 0.44 -1.24 2.02 -1.26 -4.74 118.70 114.62 2uva s GLU 1676Ca 0.00 1.73 -0.24 0.00 0.02 0.00 0.00 54.97 56.48 2uva s GLU 1676Cb 0.00 -3.22 -0.08 0.00 0.10 0.00 0.00 34.13 30.94 2uva s GLU 1676CO 0.00 0.26 1.24 -1.54 0.02 0.00 0.00 175.26 175.24 2uva s SER 1677N -0.86 6.14 -0.06 -0.19 1.04 -1.26 -1.05 113.70 117.46 2uva s SER 1677Ca 0.44 2.49 -0.03 0.00 0.48 0.00 0.00 55.95 59.33 2uva s SER 1677Cb -0.30 -2.62 -0.03 0.00 0.10 0.00 0.00 66.02 63.17 2uva s SER 1677CO 0.39 -0.95 -0.08 0.52 0.98 0.00 0.00 173.24 174.09 2uva n VAL 1678N -0.27 0.44 -4.32 5.02 0.31 0.19 -3.11 118.33 116.59 2uva n VAL 1678Ca 0.06 -0.05 -0.22 0.00 -0.01 0.00 0.00 64.34 64.12 2uva n VAL 1678Cb 0.46 -1.60 -0.11 0.00 -0.91 0.00 0.00 33.84 31.67 2uva n VAL 1678CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 2uva s LEU 1679N -6.43 2.41 -0.27 7.52 1.43 -0.89 -0.95 118.68 121.50 2uva s LEU 1679Ca -0.09 -0.82 -0.06 0.00 -1.03 0.00 0.00 54.13 52.13 2uva s LEU 1679Cb 0.03 -0.82 0.14 0.00 0.03 0.00 0.00 46.19 45.57 2uva s LEU 1679CO 0.11 -0.03 0.55 -1.10 0.23 0.00 0.00 176.35 176.12 2uva s GLN 1680N -2.60 0.49 0.10 1.70 -0.21 -0.98 -2.28 119.66 115.88 2uva s GLN 1680Ca 0.13 1.15 -0.26 0.00 0.02 0.00 0.00 55.36 56.40 2uva s GLN 1680Cb -0.07 0.52 0.08 0.00 1.00 0.00 0.00 33.01 34.55 2uva s GLN 1680CO 0.06 -0.37 1.10 0.20 -2.12 0.00 0.00 175.29 174.16 2uva s GLY 1681N 2.78 -0.17 0.23 3.09 0.00 -0.90 -1.45 107.32 110.91 2uva s GLY 1681Ca 0.04 0.14 0.08 0.00 0.00 0.00 0.00 44.72 44.98 2uva s GLY 1681CO -0.18 1.19 0.05 -1.83 0.00 0.00 0.00 173.10 172.33 2uva s GLU 1682N -2.64 2.49 -0.05 2.90 -1.05 -1.08 0.40 118.70 119.66 2uva s GLU 1682Ca 0.17 -1.23 -0.01 0.00 -0.15 0.00 0.00 54.97 53.75 2uva s GLU 1682Cb 0.00 -2.32 0.03 0.00 -0.44 0.00 0.00 34.13 31.40 2uva s GLU 1682CO 0.01 0.40 0.01 0.00 0.95 0.00 0.00 175.26 176.63 2uva s ALA 1683N -2.10 0.54 -1.25 -0.84 0.00 -0.53 -1.98 121.76 115.60 2uva s ALA 1683Ca 0.31 -0.01 -0.11 0.00 0.00 0.00 0.00 51.96 52.15 2uva s ALA 1683Cb -0.08 -0.60 0.17 0.00 0.00 0.00 0.00 23.12 22.61 2uva s ALA 1683CO 0.21 -0.34 1.69 0.39 0.00 0.00 0.00 175.76 177.71 2uva n GLU 1684N 4.85 3.50 -2.76 0.00 1.02 -0.31 -1.54 120.64 125.40 2uva n GLU 1684Ca -0.12 -3.66 -0.35 0.00 -0.02 0.00 0.00 57.16 53.01 2uva n GLU 1684Cb 0.50 -2.98 -0.06 0.00 -0.02 0.00 0.00 31.44 28.87 2uva n GLU 1684CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2uva s VAL 1685N 0.96 4.23 0.20 2.62 1.01 -0.73 -2.30 120.40 126.39 2uva s VAL 1685Ca 0.41 1.56 -0.24 0.00 0.00 0.00 0.00 61.98 63.72 2uva s VAL 1685Cb 0.04 -3.73 -0.08 0.00 0.00 0.00 0.00 36.38 32.61 2uva s VAL 1685CO 0.00 -0.13 0.77 -1.61 0.00 0.00 0.00 175.10 174.14 2uva s GLU 1686N -2.75 4.47 0.29 2.72 0.41 -0.91 -0.31 118.70 122.62 2uva s GLU 1686Ca 0.58 1.08 -0.25 0.00 -0.41 0.00 0.00 54.97 55.97 2uva s GLU 1686Cb -0.14 -3.10 -0.09 0.00 -1.78 0.00 0.00 34.13 29.02 2uva s GLU 1686CO 0.18 0.49 0.90 -1.14 -0.49 0.00 0.00 175.26 175.20 2uva s GLN 1687N -1.49 4.56 0.80 1.61 0.74 -1.25 -4.82 119.66 119.80 2uva s GLN 1687Ca 0.39 1.26 -0.17 0.00 0.05 0.00 0.00 55.36 56.89 2uva s GLN 1687Cb -0.21 -2.90 -0.10 0.00 1.10 0.00 0.00 33.01 30.91 2uva s GLN 1687CO 0.24 0.34 -0.17 -2.30 -0.55 0.00 0.00 175.29 172.85 2uva n PRO 1688N 0.76 0.04 -1.61 1.67 -0.02 -1.26 -4.80 135.00 129.78 2uva n PRO 1688Ca 0.00 0.03 -0.56 0.00 -2.02 0.00 0.00 63.50 60.95 2uva n PRO 1688Cb 0.50 -1.29 -0.07 0.00 -0.02 0.00 0.00 33.50 32.61 2uva n PRO 1688CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2uva n VAL 1689N -2.34 0.26 -4.38 -1.45 0.31 -1.26 -4.95 118.33 104.51 2uva n VAL 1689Ca 0.04 -0.10 -0.24 0.00 -0.01 0.00 0.00 64.34 64.03 2uva n VAL 1689Cb 0.52 -1.30 -0.09 0.00 -0.91 0.00 0.00 33.84 32.06 2uva n VAL 1689CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 2uva s THR 1690N 4.74 2.89 -0.12 2.52 2.01 -1.26 -5.12 115.64 121.30 2uva s THR 1690Ca 1.03 -2.15 -0.05 0.00 0.31 0.00 0.00 61.69 60.83 2uva s THR 1690Cb -1.04 -2.59 0.06 0.00 0.01 0.00 0.00 72.50 68.94 2uva s THR 1690CO 0.61 -0.36 0.25 0.00 -0.69 0.00 0.00 174.62 174.43 2uva s ALA 1691N -2.44 -0.52 -0.18 7.40 0.00 -1.26 -3.03 121.76 121.73 2uva s ALA 1691Ca 0.31 0.92 -0.12 0.00 0.00 0.00 0.00 51.96 53.07 2uva s ALA 1691Cb -0.05 -0.92 -0.05 0.00 0.00 0.00 0.00 23.12 22.10 2uva s ALA 1691CO 0.18 -0.54 0.21 0.71 0.00 0.00 0.00 175.76 176.31 2uva s TYR 1692N 2.17 3.43 -0.06 0.00 4.12 -0.45 -4.98 117.35 121.58 2uva s TYR 1692Ca -0.01 0.45 0.01 0.00 0.02 0.00 0.00 57.07 57.54 2uva s TYR 1692Cb -0.12 -2.25 0.02 0.00 -1.52 0.00 0.00 41.96 38.09 2uva s TYR 1692CO -0.08 0.25 -0.07 0.14 0.02 0.00 0.00 175.55 175.81 2uva s VAL 1693N 0.45 0.77 -0.23 0.71 -7.23 -1.26 -1.73 120.40 111.87 2uva s VAL 1693Ca 0.12 -0.23 -0.09 0.00 -1.81 0.00 0.00 61.98 59.98 2uva s VAL 1693Cb -0.12 -0.77 -0.04 0.00 0.56 0.00 0.00 36.38 36.01 2uva s VAL 1693CO 0.01 0.29 0.11 -0.36 -0.31 0.00 0.00 175.10 174.84 2uva s PHE 1694N 1.07 3.22 0.74 2.82 0.08 -0.54 -5.00 117.98 120.36 2uva s PHE 1694Ca -0.08 0.00 -0.14 0.00 0.12 0.00 0.00 56.93 56.83 2uva s PHE 1694Cb -0.14 -2.22 0.04 0.00 -0.57 0.00 0.00 43.02 40.14 2uva s PHE 1694CO -0.01 -0.04 1.15 0.95 -0.10 0.00 0.00 175.22 177.17 2uva s THR 1695N 1.07 2.74 0.14 0.64 -4.23 -1.26 -2.40 115.64 112.33 2uva s THR 1695Ca 0.06 0.32 0.02 0.00 -1.18 0.00 0.00 61.69 60.91 2uva s THR 1695Cb -0.14 -2.78 0.02 0.00 1.34 0.00 0.00 72.50 70.94 2uva s THR 1695CO 0.04 -0.23 0.19 0.61 -0.54 0.00 0.00 174.62 174.68 2uva n GLY 1696N -0.17 2.06 3.48 3.99 0.00 -1.22 -3.62 105.19 109.70 2uva n GLY 1696Ca 0.12 -2.16 -0.32 0.00 0.00 0.00 0.00 46.02 43.66 2uva n GLY 1696CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2uva n GLN 1697N -1.25 -0.87 0.00 1.61 10.64 -1.26 -4.04 117.38 122.21 2uva n GLN 1697Ca 0.03 -0.21 0.00 0.00 -1.83 0.00 0.00 57.00 55.00 2uva n GLN 1697Cb 0.15 -2.03 0.00 0.00 -0.86 0.00 0.00 30.24 27.50 2uva n GLN 1697CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2uva n GLY 1698N 1.15 2.48 0.97 2.61 0.00 -1.26 -4.88 105.19 106.27 2uva n GLY 1698Ca 0.07 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.20 2uva n GLY 1698CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2uva n SER 1699N 0.00 2.88 -4.60 1.61 3.41 -1.26 -4.92 113.62 110.74 2uva n SER 1699Ca 0.00 -1.92 -0.43 0.00 -0.26 0.00 0.00 58.87 56.26 2uva n SER 1699Cb 0.00 -0.24 -0.03 0.00 -0.26 0.00 0.00 64.21 63.68 2uva n SER 1699CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2uva s GLN 1700N -1.52 3.11 -0.03 4.33 0.00 -1.26 -4.98 119.66 119.32 2uva s GLN 1700Ca 0.37 1.89 -0.01 0.00 -0.00 0.00 0.00 55.36 57.61 2uva s GLN 1700Cb 0.21 -4.36 -0.04 0.00 0.00 0.00 0.00 33.01 28.82 2uva s GLN 1700CO 0.29 -2.13 0.05 -1.21 0.00 0.00 0.00 175.29 172.28 2uva s GLU 1701N 6.34 3.00 0.21 9.60 2.02 -1.26 -5.05 118.70 133.56 2uva s GLU 1701Ca 0.97 -0.48 -0.32 0.00 0.02 0.00 0.00 54.97 55.16 2uva s GLU 1701Cb -0.30 -2.81 -0.14 0.00 0.10 0.00 0.00 34.13 30.97 2uva s GLU 1701CO 0.34 0.66 1.33 0.94 0.02 0.00 0.00 175.26 178.55 2uva n GLN 1702N 1.47 1.73 -1.31 1.61 7.27 -1.26 -2.06 117.38 124.83 2uva n GLN 1702Ca -0.15 0.62 -0.11 0.00 0.07 0.00 0.00 57.00 57.43 2uva n GLN 1702Cb 0.53 -2.22 -0.05 0.00 2.41 0.00 0.00 30.24 30.91 2uva n GLN 1702CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2uva n GLY 1703N 2.13 1.19 3.75 1.69 0.00 0.15 -4.95 105.19 109.15 2uva n GLY 1703Ca 0.13 -0.42 -0.42 0.00 0.00 0.00 0.00 46.02 45.31 2uva n GLY 1703CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 2uva n MET 1704N -2.45 2.61 -1.61 1.61 0.00 -0.87 -2.41 117.12 114.00 2uva n MET 1704Ca -0.11 0.92 -0.20 0.00 0.00 0.00 0.00 57.70 58.31 2uva n MET 1704Cb 0.38 -2.66 -0.09 0.00 0.00 0.00 0.00 33.22 30.85 2uva n MET 1704CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2uva n GLY 1705N 1.45 1.91 0.07 3.17 0.00 -1.26 -4.84 105.19 105.69 2uva n GLY 1705Ca 0.06 -0.03 -0.09 0.00 0.00 0.00 0.00 46.02 45.96 2uva n GLY 1705CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 2uva h MET 1706N 0.00 0.02 -0.74 1.61 2.07 -1.89 -2.65 114.93 113.35 2uva h MET 1706Ca -0.42 -0.03 -0.01 0.00 -2.07 0.00 0.00 59.70 57.17 2uva h MET 1706Cb 1.33 0.01 -0.04 0.00 -1.87 0.00 0.00 31.60 31.04 2uva h MET 1706CO 0.61 0.77 0.43 0.38 1.07 0.00 0.00 176.91 180.17 2uva h ASP 1707N 0.01 0.90 0.20 1.22 -0.00 -1.89 -2.17 116.42 114.69 2uva h ASP 1707Ca -0.16 -0.08 -0.11 0.00 -0.00 0.00 0.00 57.03 56.68 2uva h ASP 1707Cb 1.90 -0.23 -0.01 0.00 -0.00 0.00 0.00 39.33 40.99 2uva h ASP 1707CO 0.11 0.72 -0.42 0.25 -0.00 0.00 0.00 179.24 179.90 2uva h LEU 1708N 1.01 0.29 -0.49 0.15 7.12 -1.97 -2.92 115.31 118.51 2uva h LEU 1708Ca 0.26 -0.13 0.09 0.00 0.13 0.00 0.00 57.88 58.24 2uva h LEU 1708Cb -0.00 -0.08 -0.08 0.00 -0.53 0.00 0.00 40.66 39.96 2uva h LEU 1708CO -0.05 0.68 -0.00 0.22 -0.13 0.00 0.00 178.44 179.16 2uva h TYR 1709N 0.23 -0.04 -0.18 1.25 3.20 -1.02 -1.50 116.97 118.91 2uva h TYR 1709Ca 0.02 0.04 -0.16 0.00 3.14 0.00 0.00 58.73 61.77 2uva h TYR 1709Cb 0.84 0.09 -0.01 0.00 1.54 0.00 0.00 36.73 39.19 2uva h TYR 1709CO 0.02 -0.11 -0.55 0.00 -1.64 0.00 0.00 178.16 175.87 2uva h ALA 1710N 1.44 0.71 0.00 1.82 0.00 -1.32 -3.30 119.26 118.61 2uva h ALA 1710Ca 0.25 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.64 2uva h ALA 1710Cb 0.37 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.08 2uva h ALA 1710CO -0.41 0.69 -0.54 0.25 0.00 0.00 0.00 179.25 179.23 2uva n THR 1711N -3.95 0.08 -3.98 0.00 -2.24 -1.04 -4.80 114.28 98.36 2uva n THR 1711Ca -0.03 -0.07 -0.30 0.00 -2.27 0.00 0.00 64.05 61.38 2uva n THR 1711Cb 0.60 0.15 -0.16 0.00 -2.10 0.00 0.00 70.33 68.83 2uva n THR 1711CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2uva s SER 1712N -3.30 3.37 0.57 3.42 0.15 -0.59 -4.98 113.70 112.33 2uva s SER 1712Ca 0.10 -0.89 0.38 0.00 0.70 0.00 0.00 55.95 56.24 2uva s SER 1712Cb 0.17 -1.19 1.89 0.00 -1.71 0.00 0.00 66.02 65.17 2uva s SER 1712CO 0.71 -0.16 2.14 -0.65 1.20 0.00 0.00 173.24 176.47 2uva h PRO 1713N 7.99 0.00 0.11 5.44 0.11 -1.87 -0.84 132.00 142.94 2uva h PRO 1713Ca -0.26 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.84 2uva h PRO 1713Cb 1.10 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.21 2uva h PRO 1713CO 0.46 0.00 -0.05 0.28 -0.21 0.00 0.00 178.00 178.48 2uva h VAL 1714N 0.00 0.00 -0.62 3.15 2.07 -1.93 -3.15 116.25 115.77 2uva h VAL 1714Ca 0.00 -0.45 0.12 0.00 0.82 0.00 0.00 66.70 67.19 2uva h VAL 1714Cb 0.17 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 29.91 2uva h VAL 1714CO 0.00 0.00 0.42 0.00 0.02 0.00 0.00 177.57 178.01 2uva h ALA 1715N -1.48 2.15 0.33 1.67 0.00 -1.78 -1.42 119.26 118.73 2uva h ALA 1715Ca -0.01 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 2uva h ALA 1715Cb 0.11 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 2uva h ALA 1715CO 0.02 -0.30 -0.43 -0.22 0.00 0.00 0.00 179.25 178.32 2uva h LYS 1716N 0.32 -0.76 -0.47 0.00 3.11 -1.26 -2.62 116.57 114.89 2uva h LYS 1716Ca 0.29 0.05 0.06 0.00 -2.81 0.00 0.00 60.65 58.24 2uva h LYS 1716Cb 0.72 0.17 -0.03 0.00 -1.00 0.00 0.00 32.23 32.10 2uva h LYS 1716CO -0.07 -0.50 0.32 1.05 -2.81 0.00 0.00 179.45 177.43 2uva h GLU 1717N -0.78 0.38 0.39 1.90 -0.00 -1.22 -1.52 114.58 113.73 2uva h GLU 1717Ca -0.04 -0.02 -0.02 0.00 -0.00 0.00 0.00 59.36 59.28 2uva h GLU 1717Cb 0.70 -0.09 -0.01 0.00 -0.00 0.00 0.00 28.75 29.36 2uva h GLU 1717CO -0.10 0.25 -0.28 0.28 -0.00 0.00 0.00 179.01 179.16 2uva h VAL 1718N 0.40 0.00 -1.02 -1.06 2.07 -1.19 -0.07 116.25 115.38 2uva h VAL 1718Ca 0.21 0.00 0.25 0.00 0.82 0.00 0.00 66.70 67.97 2uva h VAL 1718Cb 0.31 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 29.97 2uva h VAL 1718CO -0.05 0.00 0.63 -0.50 0.02 0.00 0.00 177.57 177.67 2uva h TRP 1719N -0.64 0.84 0.53 1.57 4.06 -1.06 -1.18 115.95 120.07 2uva h TRP 1719Ca -0.05 0.03 -0.03 0.00 2.06 0.00 0.00 58.89 60.90 2uva h TRP 1719Cb 0.53 -0.25 0.01 0.00 -1.00 0.00 0.00 29.16 28.45 2uva h TRP 1719CO -0.08 0.09 -0.25 -0.44 -3.56 0.00 0.00 178.44 174.20 2uva h ASP 1720N 0.52 -0.60 -0.58 -3.49 3.32 -0.97 0.20 116.42 114.82 2uva h ASP 1720Ca 0.61 -0.05 0.13 0.00 0.02 0.00 0.00 57.03 57.73 2uva h ASP 1720Cb 1.30 0.15 -0.03 0.00 0.22 0.00 0.00 39.33 40.98 2uva h ASP 1720CO -0.37 -0.29 0.40 0.03 -1.72 0.00 0.00 179.24 177.29 2uva h ARG 1721N -0.91 0.22 0.23 3.56 3.08 -0.26 0.53 114.38 120.83 2uva h ARG 1721Ca -0.07 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 59.95 2uva h ARG 1721Cb 0.61 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.61 2uva h ARG 1721CO 0.12 0.15 -0.11 0.00 -1.07 0.00 0.00 179.97 179.05 2uva h ALA 1722N 1.71 -0.31 0.36 0.04 0.00 -0.91 -2.54 119.26 117.61 2uva h ALA 1722Ca 0.28 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 2uva h ALA 1722Cb 0.78 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.69 2uva h ALA 1722CO -0.05 -0.47 -0.17 0.22 0.00 0.00 0.00 179.25 178.78 2uva h ASP 1723N -0.73 -0.41 -0.86 0.00 3.58 0.68 -1.55 116.42 117.14 2uva h ASP 1723Ca -0.03 -0.02 0.21 0.00 0.42 0.00 0.00 57.03 57.60 2uva h ASP 1723Cb 0.49 0.11 -0.16 0.00 1.72 0.00 0.00 39.33 41.49 2uva h ASP 1723CO 0.05 -0.24 -0.09 1.17 -2.88 0.00 0.00 179.24 177.25 2uva n LYS 1724N -5.27 -0.07 0.00 0.28 3.00 0.17 -0.59 118.16 115.67 2uva n LYS 1724Ca -0.10 1.31 0.00 0.00 -0.00 0.00 0.00 58.31 59.52 2uva n LYS 1724Cb 0.22 -2.03 0.00 0.00 0.00 0.00 0.00 35.03 33.23 2uva n LYS 1724CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.40 178.98 2uva n HIS 1725N -5.32 0.00 -0.33 5.64 -0.00 -0.84 -2.66 115.22 111.72 2uva n HIS 1725Ca 0.17 0.00 0.15 0.00 0.46 0.00 0.00 57.72 58.50 2uva n HIS 1725Cb 0.55 -0.32 0.31 0.00 -0.12 0.00 0.00 29.99 30.41 2uva n HIS 1725CO 0.00 0.00 0.00 0.74 0.46 0.00 0.00 176.34 177.54 2uva h PHE 1726N 0.00 0.07 -0.01 1.57 -1.00 -0.21 0.83 116.94 118.19 2uva h PHE 1726Ca 0.00 0.07 -0.00 0.00 2.81 0.00 0.00 57.97 60.85 2uva h PHE 1726Cb 0.00 0.13 -0.00 0.00 3.61 0.00 0.00 35.95 39.69 2uva h PHE 1726CO 0.14 -0.40 0.00 0.00 -1.61 0.00 0.00 178.31 176.45 2uva h ARG 1727N 0.04 0.01 0.00 1.51 3.08 0.33 0.16 114.38 119.50 2uva h ARG 1727Ca 0.60 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.65 2uva h ARG 1727Cb 1.27 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.32 2uva h ARG 1727CO -0.87 0.16 0.00 0.39 -1.07 0.00 0.00 179.97 178.58 2uva n GLU 1728N -5.01 0.42 0.00 0.04 1.02 0.17 -1.86 120.64 115.41 2uva n GLU 1728Ca -0.07 0.02 0.00 0.00 -0.02 0.00 0.00 57.16 57.08 2uva n GLU 1728Cb 0.10 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.02 2uva n GLU 1728CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2uva n ASN 1729N -1.28 2.44 -0.00 1.62 3.02 -0.53 -4.83 115.26 115.70 2uva n ASN 1729Ca 0.14 0.00 0.04 0.00 -0.03 0.00 0.00 54.58 54.73 2uva n ASN 1729Cb 0.22 0.00 -0.05 0.00 -0.61 0.00 0.00 39.78 39.34 2uva n ASN 1729CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 2uva n TYR 1730N -2.56 0.00 -1.73 3.10 0.53 0.39 -4.58 117.16 112.30 2uva n TYR 1730Ca 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.88 2uva n TYR 1730Cb 0.45 0.00 0.00 0.00 -1.03 0.00 0.00 39.34 38.76 2uva n TYR 1730CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 2uva n GLY 1731N 1.22 0.42 3.44 2.72 0.00 -0.18 -4.94 105.19 107.87 2uva n GLY 1731Ca 0.02 -0.90 -0.12 0.00 0.00 0.00 0.00 46.02 45.02 2uva n GLY 1731CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2uva s PHE 1732N -2.00 0.81 -0.14 1.61 -0.12 -1.20 -4.58 117.98 112.36 2uva s PHE 1732Ca 0.00 -1.09 0.02 0.00 -0.05 0.00 0.00 56.93 55.82 2uva s PHE 1732Cb 0.00 -0.13 0.01 0.00 -0.63 0.00 0.00 43.02 42.27 2uva s PHE 1732CO 0.00 -0.92 -0.22 0.45 -0.05 0.00 0.00 175.22 174.48 2uva s SER 1733N -3.13 3.09 0.37 1.98 0.15 -1.26 -1.44 113.70 113.47 2uva s SER 1733Ca 0.30 -0.60 0.19 0.00 0.70 0.00 0.00 55.95 56.54 2uva s SER 1733Cb 0.02 -1.43 0.68 0.00 -1.71 0.00 0.00 66.02 63.58 2uva s SER 1733CO 0.13 0.08 1.74 0.16 1.20 0.00 0.00 173.24 176.55 2uva h ILE 1734N 5.83 0.89 -0.25 6.45 3.07 -1.93 -2.69 117.51 128.88 2uva h ILE 1734Ca -0.32 -1.51 -0.02 0.00 1.55 0.00 0.00 64.86 64.55 2uva h ILE 1734Cb 1.19 1.92 -0.01 0.00 -0.27 0.00 0.00 36.82 39.65 2uva h ILE 1734CO 0.55 0.37 0.06 0.40 -1.05 0.00 0.00 178.15 178.48 2uva h ILE 1735N 0.00 1.21 0.34 0.16 2.04 -1.94 -0.54 117.51 118.78 2uva h ILE 1735Ca -0.00 -0.70 -0.00 0.00 1.00 0.00 0.00 64.86 65.16 2uva h ILE 1735Cb 0.89 1.19 -0.03 0.00 -0.74 0.00 0.00 36.82 38.13 2uva h ILE 1735CO 0.05 0.22 -0.46 0.44 0.00 0.00 0.00 178.15 178.40 2uva h ASP 1736N 0.23 -1.29 -1.06 1.72 5.19 -1.90 0.34 116.42 119.65 2uva h ASP 1736Ca 0.08 0.12 0.30 0.00 -0.62 0.00 0.00 57.03 56.91 2uva h ASP 1736Cb 0.28 0.45 -0.12 0.00 0.18 0.00 0.00 39.33 40.12 2uva h ASP 1736CO 0.00 -0.58 0.65 0.40 -3.12 0.00 0.00 179.24 176.59 2uva h ILE 1737N -0.84 0.41 0.01 0.35 2.04 -1.35 -1.92 117.51 116.21 2uva h ILE 1737Ca -0.03 -0.13 -0.00 0.00 1.00 0.00 0.00 64.86 65.70 2uva h ILE 1737Cb 0.78 -0.01 0.00 0.00 -0.74 0.00 0.00 36.82 36.85 2uva h ILE 1737CO -0.13 0.07 -0.00 0.58 0.00 0.00 0.00 178.15 178.66 2uva h VAL 1738N 0.38 1.56 0.00 1.67 2.07 -0.53 -3.29 116.25 118.12 2uva h VAL 1738Ca 0.68 -2.01 0.00 0.00 0.82 0.00 0.00 66.70 66.19 2uva h VAL 1738Cb 1.63 2.87 0.00 0.00 -1.52 0.00 0.00 31.29 34.27 2uva h VAL 1738CO -0.45 0.50 0.00 0.29 0.02 0.00 0.00 177.57 177.93 2uva n LYS 1739N -4.68 0.00 -3.46 1.57 5.02 0.11 0.32 118.16 117.04 2uva n LYS 1739Ca -0.09 0.24 -0.42 0.00 -2.02 0.00 0.00 58.31 56.02 2uva n LYS 1739Cb 0.40 -1.02 -0.10 0.00 -0.02 0.00 0.00 35.03 34.30 2uva n LYS 1739CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2uva s ASN 1740N -2.45 6.11 -0.25 4.39 2.20 -0.81 -3.81 114.94 120.32 2uva s ASN 1740Ca 0.00 -0.63 -0.29 0.00 -0.94 0.00 0.00 52.86 51.00 2uva s ASN 1740Cb 0.00 -2.16 -0.02 0.00 -2.00 0.00 0.00 41.25 37.06 2uva s ASN 1740CO 0.00 -0.37 1.65 0.21 -2.94 0.00 0.00 177.10 175.64 2uva s ASN 1741N 1.71 6.27 0.09 3.54 2.47 -1.24 -4.28 114.94 123.51 2uva s ASN 1741Ca 0.07 1.52 -0.26 0.00 0.42 0.00 0.00 52.86 54.60 2uva s ASN 1741Cb -0.18 -2.53 -0.06 0.00 -1.45 0.00 0.00 41.25 37.03 2uva s ASN 1741CO 0.11 -1.36 0.81 -2.84 -3.72 0.00 0.00 177.10 170.10 2uva s PRO 1742N 4.90 4.56 0.00 0.43 0.02 -1.26 -4.85 135.00 138.80 2uva s PRO 1742Ca 0.73 1.17 0.24 0.00 0.02 0.00 0.00 61.00 63.16 2uva s PRO 1742Cb -0.24 -3.34 1.32 0.00 0.02 0.00 0.00 34.50 32.26 2uva s PRO 1742CO 0.30 0.33 1.81 1.63 -0.33 0.00 0.00 177.00 180.75 2uva n LYS 1743N 2.54 0.52 -3.62 5.54 5.02 -1.26 0.30 118.16 127.19 2uva n LYS 1743Ca -0.02 0.04 -0.07 0.00 -2.02 0.00 0.00 58.31 56.23 2uva n LYS 1743Cb 0.50 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 33.95 2uva n LYS 1743CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 2uva s GLU 1744N -2.33 0.36 -0.24 1.97 2.12 -1.26 -1.55 118.70 117.77 2uva s GLU 1744Ca 0.29 0.27 -0.21 0.00 0.36 0.00 0.00 54.97 55.68 2uva s GLU 1744Cb 0.16 0.18 0.06 0.00 0.26 0.00 0.00 34.13 34.79 2uva s GLU 1744CO 0.33 -0.08 0.64 -1.17 -0.54 0.00 0.00 175.26 174.44 2uva s LEU 1745N -0.36 -0.50 0.00 2.70 2.96 -0.98 -5.02 118.68 117.49 2uva s LEU 1745Ca 0.04 1.31 0.04 0.00 -0.22 0.00 0.00 54.13 55.29 2uva s LEU 1745Cb -0.03 2.20 -0.01 0.00 0.50 0.00 0.00 46.19 48.84 2uva s LEU 1745CO -0.06 -0.22 -0.13 0.28 -1.32 0.00 0.00 176.35 174.89 2uva s THR 1746N 0.53 1.04 0.31 3.68 -1.32 -1.26 -0.71 115.64 117.90 2uva s THR 1746Ca -0.01 -0.68 0.07 0.00 -1.21 0.00 0.00 61.69 59.86 2uva s THR 1746Cb -0.05 -0.89 -0.02 0.00 -1.51 0.00 0.00 72.50 70.03 2uva s THR 1746CO -0.02 0.21 0.32 0.68 -2.21 0.00 0.00 174.62 173.60 2uva s VAL 1747N -0.46 4.03 -0.04 5.08 -7.23 -0.43 -5.00 120.40 116.34 2uva s VAL 1747Ca 0.04 -1.25 0.00 0.00 -1.81 0.00 0.00 61.98 58.96 2uva s VAL 1747Cb -0.06 -3.35 0.03 0.00 0.56 0.00 0.00 36.38 33.56 2uva s VAL 1747CO -0.00 -0.22 -0.01 -1.00 -0.31 0.00 0.00 175.10 173.56 2uva s HIS 1748N -2.21 0.50 -1.19 2.82 3.76 -1.26 -2.97 115.29 114.74 2uva s HIS 1748Ca 0.39 -0.08 -0.06 0.00 -0.15 0.00 0.00 55.06 55.16 2uva s HIS 1748Cb -0.07 -0.57 0.23 0.00 1.11 0.00 0.00 32.58 33.27 2uva s HIS 1748CO 0.28 -0.19 1.81 1.19 -0.85 0.00 0.00 174.74 176.97 2uva n PHE 1749N 4.38 2.61 0.00 1.40 3.01 0.39 -4.84 117.46 124.41 2uva n PHE 1749Ca -0.21 -2.69 0.00 0.00 1.01 0.00 0.00 57.45 55.56 2uva n PHE 1749Cb 0.50 -1.62 0.00 0.00 -0.01 0.00 0.00 39.48 38.36 2uva n PHE 1749CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2uva n GLY 1750N 1.85 -0.95 0.00 1.37 0.00 -1.26 -4.24 105.19 101.96 2uva n GLY 1750Ca 0.39 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.23 2uva n GLY 1750CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2uva n GLY 1751N 2.80 -1.15 0.27 -0.02 0.00 -1.26 -3.74 105.19 102.08 2uva n GLY 1751Ca 0.00 -1.27 -0.07 0.00 0.00 0.00 0.00 46.02 44.68 2uva n GLY 1751CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2uva n PRO 1752N 0.00 -0.28 0.12 1.61 -0.02 -1.26 -0.16 135.00 135.01 2uva n PRO 1752Ca 0.00 1.30 0.09 0.00 -2.02 0.00 0.00 63.50 62.87 2uva n PRO 1752Cb 0.00 -1.92 0.45 0.00 -0.02 0.00 0.00 33.50 32.01 2uva n PRO 1752CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2uva n ARG 1753N -4.45 0.12 0.02 -0.52 1.74 -1.26 -2.49 116.66 109.82 2uva n ARG 1753Ca 0.01 0.54 -0.22 0.00 -0.77 0.00 0.00 57.85 57.42 2uva n ARG 1753Cb 0.17 -1.83 -0.14 0.00 -1.02 0.00 0.00 32.46 29.63 2uva n ARG 1753CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 2uva h GLY 1754N 0.66 0.34 1.39 -0.13 0.00 -0.74 -3.34 103.07 101.24 2uva h GLY 1754Ca 0.00 -0.86 -0.02 0.00 0.00 0.00 0.00 47.33 46.45 2uva h GLY 1754CO 0.00 0.75 0.26 0.50 0.00 0.00 0.00 176.54 178.06 2uva h LYS 1755N 0.07 0.79 0.00 4.80 1.79 -0.80 -1.86 116.57 121.37 2uva h LYS 1755Ca -0.41 -0.10 -0.01 0.00 -2.18 0.00 0.00 60.65 57.95 2uva h LYS 1755Cb 2.05 -0.15 -0.00 0.00 -1.58 0.00 0.00 32.23 32.54 2uva h LYS 1755CO 0.11 0.62 -0.05 -0.84 -1.08 0.00 0.00 179.45 178.21 2uva h ILE 1756N 0.79 0.17 0.00 1.86 3.07 -1.70 -2.83 117.51 118.87 2uva h ILE 1756Ca 0.20 -0.51 -0.01 0.00 1.55 0.00 0.00 64.86 66.09 2uva h ILE 1756Cb 0.09 1.43 0.00 0.00 -0.27 0.00 0.00 36.82 38.07 2uva h ILE 1756CO -0.03 0.05 -0.03 0.40 -1.05 0.00 0.00 178.15 177.50 2uva h ILE 1757N 0.00 1.68 0.00 0.16 1.08 -1.46 -3.18 117.51 115.79 2uva h ILE 1757Ca -0.00 -2.02 0.00 0.00 -0.39 0.00 0.00 64.86 62.44 2uva h ILE 1757Cb 0.43 3.05 0.00 0.00 -3.07 0.00 0.00 36.82 37.23 2uva h ILE 1757CO 0.01 0.53 0.00 0.08 -0.69 0.00 0.00 178.15 178.07 2uva h ARG 1758N -0.83 0.00 -0.61 2.37 0.11 -1.46 0.72 114.38 114.67 2uva h ARG 1758Ca -0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2uva h ARG 1758Cb 0.88 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 31.93 2uva h ARG 1758CO 0.01 0.00 0.40 0.37 0.10 0.00 0.00 179.97 180.85 2uva h GLN 1759N 0.00 0.81 -0.33 0.08 5.75 -1.48 0.76 115.11 120.69 2uva h GLN 1759Ca 0.00 -0.05 -0.11 0.00 -0.15 0.00 0.00 58.65 58.33 2uva h GLN 1759Cb 0.12 -0.18 -0.01 0.00 1.07 0.00 0.00 27.48 28.47 2uva h GLN 1759CO 0.00 0.54 -0.26 -0.91 -2.65 0.00 0.00 178.83 175.55 2uva h ASN 1760N 0.83 0.69 0.05 -0.69 4.21 -0.91 0.32 115.58 120.07 2uva h ASN 1760Ca 0.22 -0.25 -0.08 0.00 1.21 0.00 0.00 56.30 57.40 2uva h ASN 1760Cb -0.09 -0.19 -0.01 0.00 -1.12 0.00 0.00 38.32 36.91 2uva h ASN 1760CO -0.05 0.92 -0.23 1.88 -1.29 0.00 0.00 177.43 178.66 2uva h TYR 1761N 0.58 0.35 -0.06 1.19 -1.99 -1.18 -2.94 116.97 112.93 2uva h TYR 1761Ca 0.08 -0.06 -0.17 0.00 2.00 0.00 0.00 58.73 60.57 2uva h TYR 1761Cb 0.75 -0.09 0.01 0.00 2.00 0.00 0.00 36.73 39.40 2uva h TYR 1761CO 0.03 0.54 -0.63 0.52 -0.00 0.00 0.00 178.16 178.63 2uva h MET 1762N 0.29 0.53 -1.87 4.88 2.86 -0.58 -3.30 114.93 117.75 2uva h MET 1762Ca 0.05 -0.49 -0.05 0.00 -2.06 0.00 0.00 59.70 57.15 2uva h MET 1762Cb 0.58 0.12 -0.02 0.00 0.06 0.00 0.00 31.60 32.34 2uva h MET 1762CO 0.04 1.12 0.06 0.43 1.06 0.00 0.00 176.91 179.62 2uva n SER 1763N -4.16 5.35 -4.25 1.22 7.64 0.08 -4.74 113.62 114.76 2uva n SER 1763Ca -0.09 -2.48 -0.39 0.00 1.01 0.00 0.00 58.87 56.93 2uva n SER 1763Cb 0.67 -1.08 -0.11 0.00 -1.01 0.00 0.00 64.21 62.68 2uva n SER 1763CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 2uva s MET 1764N -0.26 2.54 0.13 1.43 -1.94 -1.22 -4.96 119.30 115.02 2uva s MET 1764Ca 0.04 -1.37 -0.07 0.00 -1.71 0.00 0.00 55.69 52.58 2uva s MET 1764Cb 0.03 -3.61 -0.06 0.00 2.01 0.00 0.00 34.83 33.21 2uva s MET 1764CO -0.00 -0.83 0.41 0.99 -0.01 0.00 0.00 175.02 175.57 2uva s THR 1765N 1.38 5.11 -0.10 2.05 2.01 -1.26 -2.60 115.64 122.23 2uva s THR 1765Ca 0.01 0.25 -0.05 0.00 0.31 0.00 0.00 61.69 62.21 2uva s THR 1765Cb -0.21 -3.63 0.05 0.00 0.01 0.00 0.00 72.50 68.71 2uva s THR 1765CO 0.02 0.12 0.22 0.12 -0.69 0.00 0.00 174.62 174.41 2uva s PHE 1766N -1.58 -0.30 -0.20 4.92 5.99 -0.19 -4.86 117.98 121.76 2uva s PHE 1766Ca 0.39 0.73 -0.05 0.00 0.00 0.00 0.00 56.93 58.00 2uva s PHE 1766Cb -0.13 0.01 -0.02 0.00 0.00 0.00 0.00 43.02 42.88 2uva s PHE 1766CO 0.22 -0.23 -0.01 -2.00 -0.00 0.00 0.00 175.22 173.20 2uva s GLU 1767N 1.30 3.59 -0.21 10.12 2.56 -1.26 -0.70 118.70 134.10 2uva s GLU 1767Ca -0.09 -0.54 -0.05 0.00 0.00 0.00 0.00 54.97 54.30 2uva s GLU 1767Cb -0.11 -3.07 0.11 0.00 2.00 0.00 0.00 34.13 33.06 2uva s GLU 1767CO -0.08 -0.01 0.37 0.99 -0.56 0.00 0.00 175.26 175.97 2uva s THR 1768N 1.05 -0.58 0.36 -1.70 2.01 -0.89 -4.36 115.64 111.53 2uva s THR 1768Ca 0.02 0.07 -0.13 0.00 0.31 0.00 0.00 61.69 61.96 2uva s THR 1768Cb -0.14 -0.70 -0.08 0.00 0.01 0.00 0.00 72.50 71.59 2uva s THR 1768CO 0.01 -0.02 0.76 -0.69 -0.69 0.00 0.00 174.62 174.00 2uva s VAL 1769N 2.55 4.71 0.73 3.82 1.01 -1.26 -1.99 120.40 129.97 2uva s VAL 1769Ca 0.05 0.83 -0.11 0.00 0.00 0.00 0.00 61.98 62.75 2uva s VAL 1769Cb -0.14 -3.66 0.03 0.00 0.00 0.00 0.00 36.38 32.61 2uva s VAL 1769CO -0.13 -0.34 1.07 0.21 0.00 0.00 0.00 175.10 175.91 2uva s ASN 1770N -2.66 5.02 0.00 3.32 3.84 -0.13 -4.89 114.94 119.45 2uva s ASN 1770Ca 0.53 1.67 0.05 0.00 0.21 0.00 0.00 52.86 55.32 2uva s ASN 1770Cb -0.10 -2.48 0.31 0.00 -0.55 0.00 0.00 41.25 38.43 2uva s ASN 1770CO 0.23 -1.68 0.86 0.00 -2.79 0.00 0.00 177.10 173.73 2uva n ALA 1771N -3.29 2.14 0.08 1.71 0.00 -1.26 -1.71 120.51 118.18 2uva n ALA 1771Ca 0.08 -0.03 0.01 0.00 0.00 0.00 0.00 53.44 53.50 2uva n ALA 1771Cb 0.53 -1.09 0.01 0.00 0.00 0.00 0.00 19.45 18.91 2uva n ALA 1771CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2uva n ASP 1772N -0.63 1.35 -0.75 0.00 5.68 -1.26 -5.04 116.55 115.89 2uva n ASP 1772Ca 0.04 -1.23 0.00 0.00 -0.50 0.00 0.00 54.79 53.10 2uva n ASP 1772Cb 0.02 -0.01 0.00 0.00 -1.14 0.00 0.00 41.12 39.99 2uva n ASP 1772CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2uva n GLY 1773N 0.08 0.75 2.83 6.12 0.00 -0.70 -5.11 105.19 109.16 2uva n GLY 1773Ca 0.02 -0.43 -0.21 0.00 0.00 0.00 0.00 46.02 45.40 2uva n GLY 1773CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2uva s SER 1774N -2.41 1.25 -0.60 1.61 1.04 -1.26 -4.93 113.70 108.40 2uva s SER 1774Ca 0.00 -0.11 -0.27 0.00 0.48 0.00 0.00 55.95 56.05 2uva s SER 1774Cb 0.00 -0.44 -0.01 0.00 0.10 0.00 0.00 66.02 65.67 2uva s SER 1774CO 0.00 -0.13 1.70 -0.63 0.98 0.00 0.00 173.24 175.16 2uva s ILE 1775N 1.45 3.49 -0.21 -1.02 1.01 -1.26 -0.95 121.20 123.70 2uva s ILE 1775Ca -0.03 0.33 -0.29 0.00 0.00 0.00 0.00 60.65 60.66 2uva s ILE 1775Cb -0.13 -4.14 -0.00 0.00 0.01 0.00 0.00 42.46 38.19 2uva s ILE 1775CO -0.03 -1.05 1.20 -0.54 0.00 0.00 0.00 174.94 174.52 2uva s LYS 1776N 6.48 4.19 -0.34 2.79 -0.14 -0.84 -4.96 119.74 126.92 2uva s LYS 1776Ca 0.61 1.50 -0.11 0.00 -1.36 0.00 0.00 55.97 56.61 2uva s LYS 1776Cb -0.12 -3.75 -0.00 0.00 -1.68 0.00 0.00 37.83 32.28 2uva s LYS 1776CO 0.22 -0.76 0.19 -0.08 -0.76 0.00 0.00 175.35 174.16 2uva s THR 1777N 3.56 4.80 0.18 2.17 -1.32 -1.26 -2.09 115.64 121.67 2uva s THR 1777Ca 0.52 -0.48 0.09 0.00 -1.21 0.00 0.00 61.69 60.62 2uva s THR 1777Cb -0.19 -3.51 -0.04 0.00 -1.51 0.00 0.00 72.50 67.24 2uva s THR 1777CO 0.14 -0.04 -0.20 -1.61 -2.21 0.00 0.00 174.62 170.70 2uva s GLU 1778N 1.63 1.36 0.43 7.08 2.02 0.12 -4.90 118.70 126.44 2uva s GLU 1778Ca 0.04 -1.46 -0.23 0.00 0.02 0.00 0.00 54.97 53.35 2uva s GLU 1778Cb -0.18 -1.50 -0.09 0.00 0.10 0.00 0.00 34.13 32.47 2uva s GLU 1778CO 0.08 0.31 1.06 0.15 0.02 0.00 0.00 175.26 176.88 2uva s LYS 1779N -2.79 4.03 -0.06 1.61 1.02 -1.26 -1.02 119.74 121.26 2uva s LYS 1779Ca 0.18 1.51 -0.07 0.00 0.02 0.00 0.00 55.97 57.61 2uva s LYS 1779Cb -0.06 -2.42 -0.28 0.00 -0.52 0.00 0.00 37.83 34.54 2uva s LYS 1779CO 0.08 -0.26 0.60 0.82 -0.92 0.00 0.00 175.35 175.66 2uva h ILE 1780N 2.00 0.86 -3.63 2.17 2.04 -1.80 -3.40 117.51 115.75 2uva h ILE 1780Ca -0.49 -2.51 -0.77 0.00 1.00 0.00 0.00 64.86 62.09 2uva h ILE 1780Cb 1.22 2.66 -0.29 0.00 -0.74 0.00 0.00 36.82 39.67 2uva h ILE 1780CO 0.61 0.85 0.17 -0.36 0.00 0.00 0.00 178.15 179.42 2uva s PHE 1781N -2.58 3.96 0.35 1.37 0.40 -1.26 -4.91 117.98 115.30 2uva s PHE 1781Ca -0.16 -2.48 0.06 0.00 -0.60 0.00 0.00 56.93 53.75 2uva s PHE 1781Cb 0.06 -3.70 0.66 0.00 0.51 0.00 0.00 43.02 40.56 2uva s PHE 1781CO 0.82 -0.93 1.88 0.87 0.70 0.00 0.00 175.22 178.56 2uva h LYS 1782N 7.03 0.39 -0.00 0.44 1.57 -1.93 -2.53 116.57 121.54 2uva h LYS 1782Ca 0.13 -0.09 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 2uva h LYS 1782Cb 0.94 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.19 2uva h LYS 1782CO 0.87 0.49 -0.02 0.39 -0.57 0.00 0.00 179.45 180.61 2uva n GLU 1783N -4.26 0.74 -3.21 3.15 4.71 -1.26 -4.78 120.64 115.74 2uva n GLU 1783Ca 0.00 -0.07 -0.41 0.00 -0.01 0.00 0.00 57.16 56.67 2uva n GLU 1783Cb 0.27 -1.50 -0.07 0.00 -1.01 0.00 0.00 31.44 29.13 2uva n GLU 1783CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 2uva s VAL 1784N -2.31 5.01 0.00 2.62 1.01 -0.95 -4.88 120.40 120.91 2uva s VAL 1784Ca 0.37 0.69 0.00 0.00 0.00 0.00 0.00 61.98 63.04 2uva s VAL 1784Cb 0.21 -3.92 0.00 0.00 0.00 0.00 0.00 36.38 32.67 2uva s VAL 1784CO 0.42 -0.08 0.00 -0.90 0.00 0.00 0.00 175.10 174.54 2uva n ASP 1785N 5.71 0.59 -1.60 3.32 5.68 -1.26 -4.82 116.55 124.17 2uva n ASP 1785Ca -0.04 0.00 0.08 0.00 -0.50 0.00 0.00 54.79 54.33 2uva n ASP 1785Cb 0.49 0.00 0.35 0.00 -1.14 0.00 0.00 41.12 40.82 2uva n ASP 1785CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 2uva n GLU 1786N 0.00 3.91 -0.05 0.11 1.02 -1.26 -3.50 120.64 120.87 2uva n GLU 1786Ca 0.00 -2.72 0.03 0.00 -0.02 0.00 0.00 57.16 54.45 2uva n GLU 1786Cb 0.00 -1.98 0.05 0.00 -0.02 0.00 0.00 31.44 29.49 2uva n GLU 1786CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2uva n ASN 1787N 0.86 1.87 -4.69 1.62 3.02 -1.26 -5.04 115.26 111.64 2uva n ASN 1787Ca 0.24 -2.29 -0.37 0.00 -0.03 0.00 0.00 54.58 52.13 2uva n ASN 1787Cb 0.94 -0.16 -0.08 0.00 -0.61 0.00 0.00 39.78 39.87 2uva n ASN 1787CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 2uva s SER 1788N -1.56 6.28 0.06 6.41 0.01 -1.23 -4.97 113.70 118.69 2uva s SER 1788Ca 0.11 0.31 0.20 0.00 1.31 0.00 0.00 55.95 57.88 2uva s SER 1788Cb 0.10 -2.15 -0.15 0.00 0.21 0.00 0.00 66.02 64.03 2uva s SER 1788CO 0.01 0.06 0.74 0.35 0.41 0.00 0.00 173.24 174.80 2uva n THR 1789N 4.03 0.82 -3.61 1.44 -2.24 -1.26 -4.80 114.28 108.66 2uva n THR 1789Ca -0.13 -0.63 -0.12 0.00 -2.27 0.00 0.00 64.05 60.90 2uva n THR 1789Cb 0.52 -0.45 -0.06 0.00 -2.10 0.00 0.00 70.33 68.23 2uva n THR 1789CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2uva s SER 1790N -5.38 -0.53 0.14 3.42 1.04 -1.26 -0.46 113.70 110.66 2uva s SER 1790Ca -0.04 0.88 0.09 0.00 0.48 0.00 0.00 55.95 57.36 2uva s SER 1790Cb 0.10 0.84 -0.04 0.00 0.10 0.00 0.00 66.02 67.02 2uva s SER 1790CO 0.83 -0.28 -0.15 -0.47 0.98 0.00 0.00 173.24 174.15 2uva s TYR 1791N -0.23 2.57 -0.08 5.02 5.04 -1.16 -5.00 117.35 123.52 2uva s TYR 1791Ca -0.01 -0.24 0.01 0.00 -2.44 0.00 0.00 57.07 54.39 2uva s TYR 1791Cb -0.03 -1.32 0.02 0.00 0.35 0.00 0.00 41.96 40.97 2uva s TYR 1791CO -0.01 0.44 -0.11 0.99 -1.34 0.00 0.00 175.55 175.52 2uva s THR 1792N -1.36 1.11 0.35 4.34 2.01 -1.26 -1.32 115.64 119.51 2uva s THR 1792Ca 0.21 -0.43 -0.06 0.00 0.31 0.00 0.00 61.69 61.72 2uva s THR 1792Cb -0.10 -1.05 -0.05 0.00 0.01 0.00 0.00 72.50 71.31 2uva s THR 1792CO 0.12 0.36 0.64 -0.31 -0.69 0.00 0.00 174.62 174.74 2uva s TYR 1793N 0.98 3.48 0.10 4.92 1.51 0.11 -4.99 117.35 123.46 2uva s TYR 1793Ca -0.09 0.77 -0.13 0.00 -1.01 0.00 0.00 57.07 56.61 2uva s TYR 1793Cb -0.15 -2.22 0.02 0.00 -0.11 0.00 0.00 41.96 39.51 2uva s TYR 1793CO -0.00 0.04 0.32 1.03 -1.11 0.00 0.00 175.55 175.83 2uva s ARG 1794N -3.79 0.96 -0.30 -0.62 0.52 -1.26 -2.32 118.95 112.14 2uva s ARG 1794Ca 0.46 -0.76 -0.17 0.00 -0.52 0.00 0.00 55.73 54.74 2uva s ARG 1794Cb -0.10 0.41 0.18 0.00 0.52 0.00 0.00 34.95 35.96 2uva s ARG 1794CO 0.32 -0.35 1.14 0.45 0.02 0.00 0.00 175.30 176.89 2uva s SER 1795N -2.72 -0.30 0.49 0.23 0.15 -0.59 -4.91 113.70 106.04 2uva s SER 1795Ca 0.03 0.42 0.33 0.00 0.70 0.00 0.00 55.95 57.43 2uva s SER 1795Cb 0.03 1.31 1.73 0.00 -1.71 0.00 0.00 66.02 67.37 2uva s SER 1795CO -0.11 -0.06 2.01 -0.65 1.20 0.00 0.00 173.24 175.64 2uva h PRO 1796N 6.93 0.00 -0.02 5.44 0.11 -1.97 -0.89 132.00 141.59 2uva h PRO 1796Ca -0.17 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.94 2uva h PRO 1796Cb 1.13 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.24 2uva h PRO 1796CO 0.10 0.00 -0.08 -1.13 -0.21 0.00 0.00 178.00 176.68 2uva n SER 1797N -2.70 2.35 0.00 -2.05 3.41 -1.26 -4.99 113.62 108.38 2uva n SER 1797Ca -0.02 -1.68 0.00 0.00 -0.26 0.00 0.00 58.87 56.92 2uva n SER 1797Cb 0.10 0.10 0.00 0.00 -0.26 0.00 0.00 64.21 64.15 2uva n SER 1797CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2uva n GLY 1798N 1.07 2.92 0.17 5.00 0.00 -0.34 -4.75 105.19 109.27 2uva n GLY 1798Ca 0.10 -1.70 0.14 0.00 0.00 0.00 0.00 46.02 44.55 2uva n GLY 1798CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2uva h LEU 1799N 0.00 0.00 -0.71 0.99 4.07 -0.37 -2.04 115.31 117.25 2uva h LEU 1799Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 2uva h LEU 1799Cb 0.00 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.74 2uva h LEU 1799CO 0.00 0.00 0.00 -0.11 -1.08 0.00 0.00 178.44 177.25 2uva n LEU 1800N -2.58 0.78 -0.06 1.67 7.94 -1.26 -3.37 117.00 120.12 2uva n LEU 1800Ca 0.03 -0.39 -0.12 0.00 -1.11 0.00 0.00 56.01 54.42 2uva n LEU 1800Cb 0.34 -0.31 -0.05 0.00 0.53 0.00 0.00 43.42 43.93 2uva n LEU 1800CO 0.26 0.18 -0.92 -0.24 -1.11 0.00 0.00 177.39 175.56 2uva n SER 1801N -0.15 1.70 -4.75 1.96 2.88 -0.77 -4.60 113.62 109.90 2uva n SER 1801Ca 0.01 0.07 -0.41 0.00 -1.33 0.00 0.00 58.87 57.22 2uva n SER 1801Cb 0.18 -0.30 -0.04 0.00 -0.75 0.00 0.00 64.21 63.30 2uva n SER 1801CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2uva s ALA 1802N -2.23 3.42 0.29 -1.46 0.00 -1.22 -4.78 121.76 115.78 2uva s ALA 1802Ca -0.17 0.93 0.01 0.00 0.00 0.00 0.00 51.96 52.73 2uva s ALA 1802Cb 0.06 -3.37 0.43 0.00 0.00 0.00 0.00 23.12 20.24 2uva s ALA 1802CO 0.24 -0.27 1.78 1.79 0.00 0.00 0.00 175.76 179.30 2uva h THR 1803N 3.36 1.24 -1.16 0.00 1.35 -1.89 -1.53 112.91 114.29 2uva h THR 1803Ca -0.46 -1.02 0.34 0.00 -0.55 0.00 0.00 66.41 64.72 2uva h THR 1803Cb 1.21 1.03 -0.11 0.00 -1.73 0.00 0.00 68.15 68.56 2uva h THR 1803CO 0.70 0.35 0.74 1.56 -0.25 0.00 0.00 175.52 178.62 2uva h GLN 1804N 0.59 0.25 0.00 4.72 7.50 -1.85 0.78 115.11 127.09 2uva h GLN 1804Ca 0.11 -0.01 -0.27 0.00 0.50 0.00 0.00 58.65 58.98 2uva h GLN 1804Cb 0.48 -0.06 -0.04 0.00 0.05 0.00 0.00 27.48 27.92 2uva h GLN 1804CO 0.03 0.16 -1.63 1.19 -1.50 0.00 0.00 178.83 177.08 2uva n PHE 1805N -4.66 0.52 -0.35 2.96 0.99 -1.07 -4.38 117.46 111.47 2uva n PHE 1805Ca 0.30 0.23 0.09 0.00 -0.00 0.00 0.00 57.45 58.07 2uva n PHE 1805Cb 1.12 -0.96 0.19 0.00 -1.00 0.00 0.00 39.48 38.83 2uva n PHE 1805CO 0.00 0.00 0.00 1.15 -0.00 0.00 0.00 176.76 177.91 2uva h THR 1806N -1.00 0.03 0.76 4.37 2.02 -0.68 -2.36 112.91 116.05 2uva h THR 1806Ca -0.41 -0.00 -0.04 0.00 0.77 0.00 0.00 66.41 66.74 2uva h THR 1806Cb 1.29 0.02 0.01 0.00 -1.74 0.00 0.00 68.15 67.74 2uva h THR 1806CO -0.25 0.00 -0.37 1.56 0.37 0.00 0.00 175.52 176.84 2uva h GLN 1807N 0.00 -0.99 -0.82 6.66 4.20 -1.10 -2.34 115.11 120.72 2uva h GLN 1807Ca 0.51 0.07 0.19 0.00 0.06 0.00 0.00 58.65 59.48 2uva h GLN 1807Cb 0.90 0.22 -0.05 0.00 0.30 0.00 0.00 27.48 28.85 2uva h GLN 1807CO -0.97 -0.66 0.56 -1.35 -0.67 0.00 0.00 178.83 175.74 2uva h PRO 1808N -1.25 0.32 0.78 1.46 0.11 -1.72 -0.83 132.00 130.87 2uva h PRO 1808Ca -0.10 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 65.95 2uva h PRO 1808Cb 0.79 -0.07 0.01 0.00 0.11 0.00 0.00 31.00 31.83 2uva h PRO 1808CO 0.17 0.21 -0.38 0.00 -0.21 0.00 0.00 178.00 177.80 2uva h ALA 1809N 1.62 -1.05 -0.66 -0.75 0.00 -1.31 -0.89 119.26 116.23 2uva h ALA 1809Ca 0.42 -0.23 0.06 0.00 0.00 0.00 0.00 54.91 55.16 2uva h ALA 1809Cb 1.11 0.41 -0.06 0.00 0.00 0.00 0.00 17.79 19.26 2uva h ALA 1809CO -0.13 -1.09 0.36 -0.07 0.00 0.00 0.00 179.25 178.32 2uva h LEU 1810N -1.05 0.52 -0.17 0.00 3.38 -0.78 -1.62 115.31 115.58 2uva h LEU 1810Ca -0.11 0.03 0.05 0.00 0.09 0.00 0.00 57.88 57.95 2uva h LEU 1810Cb 0.81 -0.07 -0.06 0.00 0.09 0.00 0.00 40.66 41.43 2uva h LEU 1810CO 0.17 0.33 -0.28 0.74 0.09 0.00 0.00 178.44 179.50 2uva h THR 1811N 0.65 0.35 0.31 0.22 2.02 -1.10 -2.40 112.91 112.96 2uva h THR 1811Ca 0.30 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.48 2uva h THR 1811Cb 0.20 0.35 -0.03 0.00 -1.74 0.00 0.00 68.15 66.93 2uva h THR 1811CO -0.19 0.00 -0.52 -0.07 0.37 0.00 0.00 175.52 175.11 2uva h LEU 1812N -0.32 -1.49 -1.76 2.58 -0.00 -0.46 -0.44 115.31 113.42 2uva h LEU 1812Ca 0.11 0.14 0.18 0.00 -0.00 0.00 0.00 57.88 58.31 2uva h LEU 1812Cb 0.50 0.52 -0.04 0.00 -0.00 0.00 0.00 40.66 41.64 2uva h LEU 1812CO -0.36 -0.61 0.51 0.00 -0.00 0.00 0.00 178.44 177.98 2uva h MET 1813N -0.88 0.22 0.11 1.13 -0.00 -1.18 0.11 114.93 114.45 2uva h MET 1813Ca -0.03 -0.01 -0.01 0.00 -0.00 0.00 0.00 59.70 59.65 2uva h MET 1813Cb 0.81 -0.05 0.00 0.00 -0.00 0.00 0.00 31.60 32.37 2uva h MET 1813CO -0.18 0.15 -0.05 0.93 -0.00 0.00 0.00 176.91 177.76 2uva h GLU 1814N 0.23 -0.14 -0.65 -0.10 5.08 -1.02 -1.60 114.58 116.38 2uva h GLU 1814Ca 0.36 0.01 0.13 0.00 -1.00 0.00 0.00 59.36 58.86 2uva h GLU 1814Cb 1.10 0.03 -0.10 0.00 0.50 0.00 0.00 28.75 30.28 2uva h GLU 1814CO -0.08 0.27 0.13 -0.22 -1.00 0.00 0.00 179.01 178.11 2uva h LYS 1815N -0.95 0.24 0.80 2.33 1.63 -0.15 0.35 116.57 120.81 2uva h LYS 1815Ca -0.01 -0.01 -0.04 0.00 -0.85 0.00 0.00 60.65 59.73 2uva h LYS 1815Cb 0.47 -0.05 0.01 0.00 -0.60 0.00 0.00 32.23 32.05 2uva h LYS 1815CO 0.02 0.16 -0.40 0.00 -3.45 0.00 0.00 179.45 175.79 2uva h ALA 1816N 1.54 -1.09 -0.52 5.00 0.00 -0.92 0.12 119.26 123.39 2uva h ALA 1816Ca 0.35 -0.24 0.10 0.00 0.00 0.00 0.00 54.91 55.13 2uva h ALA 1816Cb 0.56 0.44 -0.09 0.00 0.00 0.00 0.00 17.79 18.69 2uva h ALA 1816CO -0.45 -1.12 -0.09 0.77 0.00 0.00 0.00 179.25 178.36 2uva h SER 1817N -1.09 -0.40 -0.19 0.00 0.02 -0.32 -0.35 113.55 111.22 2uva h SER 1817Ca -0.11 0.15 -0.04 0.00 -0.84 0.00 0.00 61.79 60.95 2uva h SER 1817Cb 0.84 0.29 -0.01 0.00 0.14 0.00 0.00 62.40 63.66 2uva h SER 1817CO 0.17 -0.14 -0.02 0.15 -1.14 0.00 0.00 176.83 175.85 2uva h PHE 1818N 0.03 0.39 -0.00 3.45 3.57 -0.31 -2.62 116.94 121.44 2uva h PHE 1818Ca 0.25 -0.07 0.00 0.00 3.53 0.00 0.00 57.97 61.68 2uva h PHE 1818Cb 0.39 -0.10 -0.00 0.00 2.79 0.00 0.00 35.95 39.03 2uva h PHE 1818CO -0.40 0.57 0.01 1.49 -2.23 0.00 0.00 178.31 177.75 2uva h GLU 1819N 0.09 0.00 0.02 1.11 4.57 0.00 -0.43 114.58 119.94 2uva h GLU 1819Ca 0.05 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.23 2uva h GLU 1819Cb 0.43 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.02 2uva h GLU 1819CO 0.01 0.00 -0.01 0.22 -1.18 0.00 0.00 179.01 178.06 2uva h ASP 1820N 0.00 -0.02 -0.72 1.04 1.82 -0.72 -2.73 116.42 115.09 2uva h ASP 1820Ca 0.00 -0.70 0.10 0.00 -0.39 0.00 0.00 57.03 56.04 2uva h ASP 1820Cb 0.03 0.00 -0.07 0.00 0.68 0.00 0.00 39.33 39.97 2uva h ASP 1820CO -0.00 0.71 0.36 0.24 -1.61 0.00 0.00 179.24 178.94 2uva h MET 1821N -0.77 0.58 -0.88 0.28 0.00 -1.01 0.36 114.93 113.49 2uva h MET 1821Ca -0.00 -0.04 0.17 0.00 0.00 0.00 0.00 59.70 59.83 2uva h MET 1821Cb 0.72 -0.13 -0.10 0.00 0.00 0.00 0.00 31.60 32.08 2uva h MET 1821CO 0.00 0.39 0.46 -0.09 0.00 0.00 0.00 176.91 177.66 2uva h ARG 1822N 0.60 0.58 -0.36 1.72 2.43 -1.18 0.24 114.38 118.42 2uva h ARG 1822Ca 0.35 -0.04 -0.06 0.00 -0.81 0.00 0.00 59.98 59.43 2uva h ARG 1822Cb 0.38 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.78 2uva h ARG 1822CO -0.27 0.39 -0.02 1.03 -1.51 0.00 0.00 179.97 179.58 2uva h SER 1823N 0.60 0.54 1.01 -3.80 0.87 -0.00 -1.29 113.55 111.48 2uva h SER 1823Ca 0.50 -0.11 0.00 0.00 -1.23 0.00 0.00 61.79 60.95 2uva h SER 1823Cb 0.77 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 62.59 2uva h SER 1823CO -0.40 0.63 -0.22 0.29 -0.53 0.00 0.00 176.83 176.59 2uva n LYS 1824N -4.25 0.13 -1.40 2.24 4.01 0.02 -4.95 118.16 113.96 2uva n LYS 1824Ca 0.02 0.08 0.00 0.00 -0.51 0.00 0.00 58.31 57.89 2uva n LYS 1824Cb 0.27 -1.62 0.00 0.00 -0.51 0.00 0.00 35.03 33.17 2uva n LYS 1824CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2uva n GLY 1825N 1.41 0.71 0.00 0.72 0.00 0.63 -4.73 105.19 103.94 2uva n GLY 1825Ca 0.06 -0.36 0.07 0.00 0.00 0.00 0.00 46.02 45.79 2uva n GLY 1825CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2uva n LEU 1826N -0.47 0.33 -4.72 0.99 4.77 -0.83 -1.70 117.00 115.37 2uva n LEU 1826Ca 0.00 -0.25 -0.42 0.00 -0.03 0.00 0.00 56.01 55.32 2uva n LEU 1826Cb 0.31 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.37 2uva n LEU 1826CO 0.00 0.08 1.02 -0.69 -1.33 0.00 0.00 177.39 176.47 2uva s VAL 1827N -2.68 3.44 -0.06 4.08 1.01 -1.26 -4.62 120.40 120.30 2uva s VAL 1827Ca -0.00 1.05 -0.19 0.00 0.00 0.00 0.00 61.98 62.83 2uva s VAL 1827Cb 0.10 -3.67 -0.05 0.00 0.00 0.00 0.00 36.38 32.76 2uva s VAL 1827CO 0.60 0.09 0.54 -1.58 0.00 0.00 0.00 175.10 174.75 2uva s GLN 1828N 0.95 4.31 0.21 2.72 0.74 -1.26 -2.37 119.66 124.96 2uva s GLN 1828Ca 0.62 0.60 -0.10 0.00 0.05 0.00 0.00 55.36 56.54 2uva s GLN 1828Cb -0.35 -3.39 0.30 0.00 1.10 0.00 0.00 33.01 30.67 2uva s GLN 1828CO 0.31 0.26 1.70 -0.09 -0.55 0.00 0.00 175.29 176.92 2uva h ARG 1829N 6.21 0.24 -3.15 1.67 2.43 -1.88 -3.34 114.38 116.56 2uva h ARG 1829Ca -0.43 -0.01 -0.64 0.00 -0.81 0.00 0.00 59.98 58.08 2uva h ARG 1829Cb 1.19 -0.05 -0.41 0.00 -0.42 0.00 0.00 29.97 30.28 2uva h ARG 1829CO 0.72 0.16 -0.48 0.34 -1.51 0.00 0.00 179.97 179.21 2uva s ASP 1830N -5.29 5.05 0.24 -3.80 -1.08 -1.26 -5.04 116.67 105.50 2uva s ASP 1830Ca -0.13 -3.79 -0.06 0.00 -0.52 0.00 0.00 52.55 48.04 2uva s ASP 1830Cb 0.18 -1.70 -0.02 0.00 -1.46 0.00 0.00 42.92 39.93 2uva s ASP 1830CO 0.74 -0.11 0.34 -0.94 0.52 0.00 0.00 175.17 175.72 2uva s SER 1831N -1.13 0.18 0.39 -0.34 1.04 -1.26 -4.75 113.70 107.83 2uva s SER 1831Ca 0.25 -1.20 -0.04 0.00 0.48 0.00 0.00 55.95 55.44 2uva s SER 1831Cb -0.06 0.52 -0.04 0.00 0.10 0.00 0.00 66.02 66.53 2uva s SER 1831CO -0.15 -1.04 0.66 -0.89 0.98 0.00 0.00 173.24 172.80 2uva s THR 1832N -3.94 4.98 -0.18 2.02 2.01 -1.17 -4.78 115.64 114.58 2uva s THR 1832Ca 0.30 -0.00 -0.13 0.00 0.31 0.00 0.00 61.69 62.17 2uva s THR 1832Cb 0.02 -3.82 0.06 0.00 0.01 0.00 0.00 72.50 68.77 2uva s THR 1832CO 0.12 -0.62 0.46 0.72 -0.69 0.00 0.00 174.62 174.62 2uva s PHE 1833N -2.43 -0.61 0.09 4.92 -0.12 -0.82 -1.34 117.98 117.67 2uva s PHE 1833Ca 0.45 1.36 -0.08 0.00 -0.05 0.00 0.00 56.93 58.60 2uva s PHE 1833Cb -0.10 0.26 -0.00 0.00 -0.63 0.00 0.00 43.02 42.55 2uva s PHE 1833CO 0.38 -0.32 0.19 0.00 -0.05 0.00 0.00 175.22 175.41 2uva s ALA 1834N 0.91 -0.15 0.31 1.99 0.00 -0.71 -2.24 121.76 121.87 2uva s ALA 1834Ca -0.05 -0.69 0.05 0.00 0.00 0.00 0.00 51.96 51.28 2uva s ALA 1834Cb -0.06 0.52 -0.06 0.00 0.00 0.00 0.00 23.12 23.52 2uva s ALA 1834CO -0.08 -0.52 -0.00 0.20 0.00 0.00 0.00 175.76 175.36 2uva s GLY 1835N -2.88 1.98 -0.17 0.00 0.00 -1.26 -1.47 107.32 103.52 2uva s GLY 1835Ca 0.06 -2.00 0.01 0.00 0.00 0.00 0.00 44.72 42.80 2uva s GLY 1835CO -0.10 -1.85 -0.19 -1.58 0.00 0.00 0.00 173.10 169.38 2uva s HIS 1836N -3.11 2.63 0.00 1.90 2.46 -1.01 -4.25 115.29 113.91 2uva s HIS 1836Ca 0.33 -1.52 0.00 0.00 0.47 0.00 0.00 55.06 54.33 2uva s HIS 1836Cb 0.06 -1.84 0.00 0.00 -0.13 0.00 0.00 32.58 30.68 2uva s HIS 1836CO 0.14 -0.76 0.00 0.45 -2.47 0.00 0.00 174.74 172.10 2uva n SER 1837N 4.59 0.00 -0.10 9.88 2.88 -1.26 -1.62 113.62 127.99 2uva n SER 1837Ca -0.20 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.23 2uva n SER 1837Cb 0.50 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.93 2uva n SER 1837CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 2uva h LEU 1838N 0.00 0.49 -1.54 2.46 5.85 -1.93 -3.26 115.31 117.37 2uva h LEU 1838Ca 0.00 -0.30 0.24 0.00 0.84 0.00 0.00 57.88 58.66 2uva h LEU 1838Cb 0.00 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 40.87 2uva h LEU 1838CO 0.00 0.67 0.89 1.23 -0.34 0.00 0.00 178.44 180.89 2uva h GLY 1839N 0.30 0.00 1.02 3.75 0.00 -1.37 0.24 103.07 107.01 2uva h GLY 1839Ca 0.08 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.37 2uva h GLY 1839CO 0.01 0.00 0.23 -2.09 0.00 0.00 0.00 176.54 174.69 2uva h GLU 1840N 0.00 1.02 0.26 4.80 4.81 -1.73 0.20 114.58 123.93 2uva h GLU 1840Ca 0.40 -0.21 -0.01 0.00 -0.13 0.00 0.00 59.36 59.41 2uva h GLU 1840Cb 2.18 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 31.41 2uva h GLU 1840CO -0.00 0.87 -0.12 1.88 -0.73 0.00 0.00 179.01 180.91 2uva h TYR 1841N 0.96 -0.32 -0.03 0.92 -1.99 -0.74 -2.06 116.97 113.72 2uva h TYR 1841Ca 0.22 -0.01 0.02 0.00 2.00 0.00 0.00 58.73 60.96 2uva h TYR 1841Cb 0.26 0.11 -0.03 0.00 2.00 0.00 0.00 36.73 39.07 2uva h TYR 1841CO 0.02 -0.01 -0.12 0.66 -0.00 0.00 0.00 178.16 178.71 2uva h SER 1842N -0.64 -0.35 -0.99 3.88 4.64 -1.59 -2.65 113.55 115.85 2uva h SER 1842Ca -0.04 0.06 0.14 0.00 -0.47 0.00 0.00 61.79 61.48 2uva h SER 1842Cb 0.46 0.16 -0.15 0.00 -0.31 0.00 0.00 62.40 62.55 2uva h SER 1842CO 0.06 -0.17 -0.43 0.00 -0.87 0.00 0.00 176.83 175.42 2uva n ALA 1843N -2.42 -0.25 0.06 5.18 0.00 0.69 -0.11 120.51 123.67 2uva n ALA 1843Ca -0.05 0.95 -0.15 0.00 0.00 0.00 0.00 53.44 54.19 2uva n ALA 1843Cb 0.17 -0.37 -0.09 0.00 0.00 0.00 0.00 19.45 19.17 2uva n ALA 1843CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2uva h LEU 1844N 0.00 -1.51 -2.52 0.00 3.38 -1.02 -0.93 115.31 112.70 2uva h LEU 1844Ca 0.30 0.17 -0.00 0.00 0.09 0.00 0.00 57.88 58.43 2uva h LEU 1844Cb 0.54 0.57 -0.00 0.00 0.09 0.00 0.00 40.66 41.86 2uva h LEU 1844CO -0.97 -0.49 -0.02 0.58 0.09 0.00 0.00 178.44 177.64 2uva h VAL 1845N -0.63 0.14 0.50 1.22 2.07 -1.02 0.98 116.25 119.51 2uva h VAL 1845Ca 0.01 -0.16 -0.02 0.00 0.82 0.00 0.00 66.70 67.34 2uva h VAL 1845Cb 0.67 1.13 0.00 0.00 -1.52 0.00 0.00 31.29 31.58 2uva h VAL 1845CO -0.32 0.02 -0.24 0.00 0.02 0.00 0.00 177.57 177.05 2uva h ALA 1846N 1.98 -0.67 0.00 1.67 0.00 0.90 -3.40 119.26 119.75 2uva h ALA 1846Ca -0.00 -0.19 -0.35 0.00 0.00 0.00 0.00 54.91 54.37 2uva h ALA 1846Cb 0.13 0.26 -0.06 0.00 0.00 0.00 0.00 17.79 18.12 2uva h ALA 1846CO 0.00 -0.71 -2.32 1.28 0.00 0.00 0.00 179.25 177.50 2uva n LEU 1847N -5.26 1.37 -4.89 0.00 4.32 -1.04 -4.90 117.00 106.60 2uva n LEU 1847Ca -0.10 -0.06 -0.35 0.00 -0.02 0.00 0.00 56.01 55.48 2uva n LEU 1847Cb 0.31 -0.14 -0.05 0.00 -1.62 0.00 0.00 43.42 41.92 2uva n LEU 1847CO 0.29 0.67 -0.17 0.00 -1.22 0.00 0.00 177.39 176.96 2uva s ALA 1848N -2.47 3.90 -0.51 -1.18 0.00 0.33 -5.00 121.76 116.84 2uva s ALA 1848Ca -0.20 -0.72 -0.07 0.00 0.00 0.00 0.00 51.96 50.97 2uva s ALA 1848Cb 0.07 -1.89 -0.18 0.00 0.00 0.00 0.00 23.12 21.12 2uva s ALA 1848CO 0.67 0.70 3.34 -0.25 0.00 0.00 0.00 175.76 180.21 2uva n ASP 1849N 1.35 6.38 -0.18 0.00 9.92 -1.26 -3.48 116.55 129.28 2uva n ASP 1849Ca -0.14 -2.59 0.28 0.00 -0.53 0.00 0.00 54.79 51.80 2uva n ASP 1849Cb 0.53 -1.44 0.71 0.00 -0.64 0.00 0.00 41.12 40.29 2uva n ASP 1849CO 0.00 0.00 0.00 0.58 0.13 0.00 0.00 177.20 177.91 2uva h VAL 1850N 2.28 0.57 -1.29 2.53 2.07 -1.83 -3.43 116.25 117.14 2uva h VAL 1850Ca 0.41 -0.01 0.19 0.00 0.82 0.00 0.00 66.70 68.11 2uva h VAL 1850Cb 1.08 0.54 -0.25 0.00 -1.52 0.00 0.00 31.29 31.14 2uva h VAL 1850CO 0.74 0.01 0.80 0.00 0.02 0.00 0.00 177.57 179.13 2uva s MET 1851N -5.01 0.27 0.61 1.57 0.23 -1.26 -4.65 119.30 111.06 2uva s MET 1851Ca -0.05 0.03 -0.19 0.00 -1.03 0.00 0.00 55.69 54.45 2uva s MET 1851Cb 0.22 0.13 -0.03 0.00 -1.53 0.00 0.00 34.83 33.61 2uva s MET 1851CO 0.77 -0.09 1.13 -2.30 -2.03 0.00 0.00 175.02 172.50 2uva n PRO 1852N 0.48 1.07 0.04 3.16 -0.02 -1.26 -4.77 135.00 133.71 2uva n PRO 1852Ca -0.03 0.41 0.03 0.00 -2.02 0.00 0.00 63.50 61.89 2uva n PRO 1852Cb 0.58 -2.35 0.40 0.00 -0.02 0.00 0.00 33.50 32.12 2uva n PRO 1852CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 2uva h ILE 1853N 0.62 1.14 -0.52 4.25 2.04 -1.99 -1.16 117.51 121.89 2uva h ILE 1853Ca -0.50 -0.45 -0.05 0.00 1.00 0.00 0.00 64.86 64.86 2uva h ILE 1853Cb 1.35 0.80 -0.02 0.00 -0.74 0.00 0.00 36.82 38.21 2uva h ILE 1853CO 0.52 0.17 0.10 1.05 0.00 0.00 0.00 178.15 179.99 2uva h GLU 1854N 0.43 0.80 -0.36 2.37 9.09 -1.91 -1.53 114.58 123.48 2uva h GLU 1854Ca 0.11 -0.17 -0.02 0.00 0.05 0.00 0.00 59.36 59.32 2uva h GLU 1854Cb 0.13 -0.12 -0.02 0.00 -1.65 0.00 0.00 28.75 27.10 2uva h GLU 1854CO -0.01 0.74 0.14 0.77 0.05 0.00 0.00 179.01 180.70 2uva h SER 1855N 0.77 0.50 0.12 3.06 0.02 -1.60 -2.48 113.55 113.94 2uva h SER 1855Ca 0.17 -0.17 0.02 0.00 -0.84 0.00 0.00 61.79 60.96 2uva h SER 1855Cb 0.32 -0.13 -0.04 0.00 0.14 0.00 0.00 62.40 62.69 2uva h SER 1855CO 0.00 0.53 -0.31 0.25 -1.14 0.00 0.00 176.83 176.16 2uva h LEU 1856N 0.43 -0.90 -0.62 5.07 5.85 -0.56 0.14 115.31 124.71 2uva h LEU 1856Ca 0.12 0.10 -0.00 0.00 0.84 0.00 0.00 57.88 58.94 2uva h LEU 1856Cb 0.20 0.34 -0.03 0.00 0.37 0.00 0.00 40.66 41.54 2uva h LEU 1856CO -0.01 -0.40 0.38 -0.37 -0.34 0.00 0.00 178.44 177.70 2uva h VAL 1857N -0.54 1.18 0.26 1.05 -1.51 -1.36 -0.31 116.25 115.01 2uva h VAL 1857Ca 0.03 -0.38 -0.00 0.00 -1.23 0.00 0.00 66.70 65.12 2uva h VAL 1857Cb 0.57 0.31 -0.02 0.00 -2.13 0.00 0.00 31.29 30.02 2uva h VAL 1857CO -0.18 0.18 -0.36 0.28 -1.23 0.00 0.00 177.57 176.26 2uva h SER 1858N 0.84 -1.02 -0.69 4.19 0.02 -0.97 0.38 113.55 116.30 2uva h SER 1858Ca 0.22 0.09 0.06 0.00 -0.84 0.00 0.00 61.79 61.33 2uva h SER 1858Cb -0.04 0.35 -0.08 0.00 0.14 0.00 0.00 62.40 62.77 2uva h SER 1858CO -0.04 -0.44 -0.41 0.52 -1.14 0.00 0.00 176.83 175.32 2uva n VAL 1859N -4.53 -0.47 -0.06 2.27 0.31 0.46 -0.83 118.33 115.48 2uva n VAL 1859Ca -0.07 1.98 -0.00 0.00 -0.01 0.00 0.00 64.34 66.23 2uva n VAL 1859Cb 0.31 -2.47 0.28 0.00 -0.91 0.00 0.00 33.84 31.05 2uva n VAL 1859CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 2uva h VAL 1860N 0.00 1.19 -0.72 2.52 2.07 -0.77 0.38 116.25 120.92 2uva h VAL 1860Ca 0.11 -0.66 -0.05 0.00 0.82 0.00 0.00 66.70 66.91 2uva h VAL 1860Cb 0.28 0.72 -0.03 0.00 -1.52 0.00 0.00 31.29 30.74 2uva h VAL 1860CO -0.65 0.25 0.24 0.15 0.02 0.00 0.00 177.57 177.58 2uva h PHE 1861N 0.65 1.14 0.09 1.57 3.57 0.74 -1.29 116.94 123.40 2uva h PHE 1861Ca 0.15 -0.10 -0.00 0.00 3.53 0.00 0.00 57.97 61.54 2uva h PHE 1861Cb 0.22 -0.33 0.00 0.00 2.79 0.00 0.00 35.95 38.63 2uva h PHE 1861CO 0.01 0.89 -0.04 -0.92 -2.23 0.00 0.00 178.31 176.01 2uva h TYR 1862N 1.07 -0.12 -0.73 0.41 5.03 0.16 -2.50 116.97 120.29 2uva h TYR 1862Ca 0.24 -0.00 0.16 0.00 2.58 0.00 0.00 58.73 61.70 2uva h TYR 1862Cb 0.27 0.04 -0.11 0.00 1.55 0.00 0.00 36.73 38.48 2uva h TYR 1862CO 0.02 0.08 0.17 -0.09 -1.32 0.00 0.00 178.16 177.03 2uva h ARG 1863N -0.30 0.25 -0.78 1.82 2.43 -0.64 0.67 114.38 117.83 2uva h ARG 1863Ca -0.01 -0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 59.11 2uva h ARG 1863Cb 0.25 -0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 29.71 2uva h ARG 1863CO 0.02 0.17 0.34 0.78 -1.51 0.00 0.00 179.97 179.77 2uva h GLY 1864N 0.26 1.22 0.82 2.80 0.00 -1.18 -1.21 103.07 105.78 2uva h GLY 1864Ca 0.41 -0.62 -0.02 0.00 0.00 0.00 0.00 47.33 47.10 2uva h GLY 1864CO -0.51 0.59 -0.20 1.41 0.00 0.00 0.00 176.54 177.83 2uva h LEU 1865N 1.12 -0.47 -1.59 3.11 3.38 -0.47 -2.55 115.31 117.84 2uva h LEU 1865Ca 0.26 -0.08 -0.03 0.00 0.09 0.00 0.00 57.88 58.13 2uva h LEU 1865Cb 0.16 0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 2uva h LEU 1865CO -0.03 -0.20 -0.04 0.74 0.09 0.00 0.00 178.44 179.01 2uva h THR 1866N -0.75 1.12 -0.08 0.22 2.02 -1.14 -0.96 112.91 113.34 2uva h THR 1866Ca -0.06 -0.49 -0.04 0.00 0.77 0.00 0.00 66.41 66.59 2uva h THR 1866Cb 0.52 1.05 -0.01 0.00 -1.74 0.00 0.00 68.15 67.98 2uva h THR 1866CO 0.09 0.16 -0.14 0.24 0.37 0.00 0.00 175.52 176.24 2uva h MET 1867N 0.21 0.12 0.00 6.66 2.86 -1.15 -2.62 114.93 121.02 2uva h MET 1867Ca 0.05 -0.03 -0.24 0.00 -2.06 0.00 0.00 59.70 57.43 2uva h MET 1867Cb 0.21 -0.02 -0.04 0.00 0.06 0.00 0.00 31.60 31.81 2uva h MET 1867CO 0.01 0.27 -1.56 0.37 1.06 0.00 0.00 176.91 177.06 2uva h GLN 1868N 0.12 0.00 0.00 1.72 4.15 -0.79 -3.35 115.11 116.96 2uva h GLN 1868Ca 0.02 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.44 2uva h GLN 1868Cb 0.33 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.02 2uva h GLN 1868CO 0.02 0.42 -0.04 -0.39 -1.93 0.00 0.00 178.83 176.91 2uva h VAL 1869N 0.00 0.00 0.09 2.39 -1.51 -1.19 -3.38 116.25 112.66 2uva h VAL 1869Ca -0.23 -0.83 0.00 0.00 -1.23 0.00 0.00 66.70 64.41 2uva h VAL 1869Cb 1.83 1.81 -0.01 0.00 -2.13 0.00 0.00 31.29 32.78 2uva h VAL 1869CO 0.07 0.00 -0.18 0.00 -1.23 0.00 0.00 177.57 176.23 2uva h ALA 1870N 2.17 -0.78 -2.30 5.19 0.00 -1.60 -3.44 119.26 118.50 2uva h ALA 1870Ca 0.00 -0.05 -0.49 0.00 0.00 0.00 0.00 54.91 54.37 2uva h ALA 1870Cb 0.91 0.53 0.16 0.00 0.00 0.00 0.00 17.79 19.39 2uva h ALA 1870CO 0.00 -0.81 0.24 0.08 0.00 0.00 0.00 179.25 178.76 2uva s VAL 1871N -3.95 2.67 0.05 0.00 1.01 -1.26 -5.07 120.40 113.85 2uva s VAL 1871Ca -0.06 0.22 0.07 0.00 0.00 0.00 0.00 61.98 62.21 2uva s VAL 1871Cb 0.02 -2.58 -0.03 0.00 0.00 0.00 0.00 36.38 33.79 2uva s VAL 1871CO 0.20 -0.29 -0.16 -0.70 0.00 0.00 0.00 175.10 174.16 2uva s GLU 1872N -4.83 2.11 0.22 2.72 2.56 -1.26 -5.07 118.70 115.15 2uva s GLU 1872Ca 0.64 -0.97 -0.00 0.00 0.00 0.00 0.00 54.97 54.63 2uva s GLU 1872Cb -0.19 -2.23 -0.04 0.00 2.00 0.00 0.00 34.13 33.67 2uva s GLU 1872CO 0.58 0.54 0.13 -0.98 -0.56 0.00 0.00 175.26 174.97 2uva s ARG 1873N -1.56 1.26 0.00 4.30 3.03 -1.26 -2.94 118.95 121.77 2uva s ARG 1873Ca 0.16 -1.67 0.00 0.00 2.03 0.00 0.00 55.73 56.25 2uva s ARG 1873Cb -0.11 0.19 0.00 0.00 -1.03 0.00 0.00 34.95 34.00 2uva s ARG 1873CO 0.07 -0.39 0.00 -0.40 -1.13 0.00 0.00 175.30 173.45 2uva n ASP 1874N -0.36 0.00 0.06 -2.89 5.75 -0.86 -4.99 116.55 113.26 2uva n ASP 1874Ca 0.02 0.00 -0.13 0.00 -0.01 0.00 0.00 54.79 54.67 2uva n ASP 1874Cb 0.66 0.00 -0.04 0.00 -1.03 0.00 0.00 41.12 40.71 2uva n ASP 1874CO 0.00 0.00 0.00 -0.33 -0.11 0.00 0.00 177.20 176.76 2uva h GLU 1875N 0.00 0.41 0.00 0.11 5.08 -2.03 -3.19 114.58 114.96 2uva h GLU 1875Ca 0.00 -0.42 0.00 0.00 -1.00 0.00 0.00 59.36 57.94 2uva h GLU 1875Cb 0.00 0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.37 2uva h GLU 1875CO 0.00 1.09 0.00 0.94 -1.00 0.00 0.00 179.01 180.04 2uva n GLN 1876N -3.76 0.15 0.00 2.33 7.27 -1.26 -4.87 117.38 117.24 2uva n GLN 1876Ca -0.06 0.36 0.00 0.00 0.07 0.00 0.00 57.00 57.36 2uva n GLN 1876Cb 0.82 -1.77 0.00 0.00 2.41 0.00 0.00 30.24 31.70 2uva n GLN 1876CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2uva n GLY 1877N 0.13 2.78 0.40 1.69 0.00 -1.20 -5.04 105.19 103.95 2uva n GLY 1877Ca 0.03 -0.73 -0.07 0.00 0.00 0.00 0.00 46.02 45.25 2uva n GLY 1877CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2uva n ARG 1878N 0.00 0.00 -2.61 1.61 0.63 -1.26 -4.46 116.66 110.57 2uva n ARG 1878Ca 0.00 0.00 -0.23 0.00 -0.92 0.00 0.00 57.85 56.70 2uva n ARG 1878Cb 0.00 -0.18 0.04 0.00 0.45 0.00 0.00 32.46 32.76 2uva n ARG 1878CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 2uva s SER 1879N 0.75 5.33 -0.11 6.15 0.15 -1.26 -2.04 113.70 122.67 2uva s SER 1879Ca 0.15 0.19 -0.19 0.00 0.70 0.00 0.00 55.95 56.80 2uva s SER 1879Cb -0.18 -1.11 -0.27 0.00 -1.71 0.00 0.00 66.02 62.75 2uva s SER 1879CO 0.08 -1.13 0.58 -1.13 1.20 0.00 0.00 173.24 172.84 2uva h ASN 1880N -0.00 0.30 -6.10 5.45 -1.24 -1.81 -3.49 115.58 108.69 2uva h ASN 1880Ca -0.44 -0.84 -0.55 0.00 0.71 0.00 0.00 56.30 55.19 2uva h ASN 1880Cb 1.29 -0.10 -0.02 0.00 0.73 0.00 0.00 38.32 40.22 2uva h ASN 1880CO 0.55 1.51 -0.20 -1.22 -1.29 0.00 0.00 177.43 176.77 2uva n TYR 1881N -4.09 -1.15 -3.56 0.67 4.02 -1.25 -3.57 117.16 108.23 2uva n TYR 1881Ca -0.23 -2.26 -0.06 0.00 -0.01 0.00 0.00 57.90 55.34 2uva n TYR 1881Cb 0.82 -0.48 -0.02 0.00 -0.02 0.00 0.00 39.34 39.63 2uva n TYR 1881CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2uva s ALA 1882N -2.76 -1.96 0.28 -0.72 0.00 -0.87 -4.65 121.76 111.08 2uva s ALA 1882Ca 0.41 1.31 0.10 0.00 0.00 0.00 0.00 51.96 53.78 2uva s ALA 1882Cb -0.03 0.14 -0.05 0.00 0.00 0.00 0.00 23.12 23.18 2uva s ALA 1882CO 0.26 -0.65 -0.06 -1.64 0.00 0.00 0.00 175.76 173.68 2uva s MET 1883N -2.74 2.09 -0.28 0.00 -1.94 -1.26 -3.09 119.30 112.08 2uva s MET 1883Ca 0.07 -1.56 -0.21 0.00 -1.71 0.00 0.00 55.69 52.29 2uva s MET 1883Cb -0.01 -2.02 0.09 0.00 2.01 0.00 0.00 34.83 34.90 2uva s MET 1883CO -0.07 0.33 0.77 0.00 -0.01 0.00 0.00 175.02 176.04 2uva s ALA 1885N 0.94 3.30 -0.02 0.00 0.00 -0.85 -0.58 121.76 124.55 2uva s ALA 1885Ca -0.04 -0.05 0.00 0.00 0.00 0.00 0.00 51.96 51.87 2uva s ALA 1885Cb -0.05 -2.78 0.02 0.00 0.00 0.00 0.00 23.12 20.31 2uva s ALA 1885CO -0.09 0.13 0.02 0.08 0.00 0.00 0.00 175.76 175.89 2uva s VAL 1886N -2.22 -0.00 -0.60 0.00 1.01 0.27 -2.36 120.40 116.50 2uva s VAL 1886Ca 0.53 0.14 -0.03 0.00 0.00 0.00 0.00 61.98 62.62 2uva s VAL 1886Cb -0.10 -0.10 0.16 0.00 0.00 0.00 0.00 36.38 36.34 2uva s VAL 1886CO 0.25 0.08 0.42 0.21 0.00 0.00 0.00 175.10 176.06 2uva s ASN 1887N 0.81 5.29 0.24 3.32 2.47 -1.08 -1.30 114.94 124.69 2uva s ASN 1887Ca -0.07 -2.74 0.15 0.00 0.42 0.00 0.00 52.86 50.62 2uva s ASN 1887Cb -0.10 -1.86 0.80 0.00 -1.45 0.00 0.00 41.25 38.64 2uva s ASN 1887CO -0.02 -0.40 1.42 -2.65 -3.72 0.00 0.00 177.10 171.73 2uva n PRO 1888N 3.65 0.10 0.27 0.43 -0.02 -1.20 -0.96 135.00 137.26 2uva n PRO 1888Ca 0.06 0.58 0.15 0.00 -2.02 0.00 0.00 63.50 62.28 2uva n PRO 1888Cb 0.38 -1.88 0.68 0.00 -0.02 0.00 0.00 33.50 32.66 2uva n PRO 1888CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 2uva h SER 1889N 0.00 0.00 -0.44 2.55 0.02 -1.82 -3.13 113.55 110.73 2uva h SER 1889Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2uva h SER 1889Cb 0.13 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.67 2uva h SER 1889CO 0.00 0.07 0.00 0.54 -1.14 0.00 0.00 176.83 176.30 2uva n ARG 1890N -3.23 2.41 0.00 3.45 1.74 -0.14 -4.40 116.66 116.49 2uva n ARG 1890Ca -0.00 -2.15 0.00 0.00 -0.77 0.00 0.00 57.85 54.93 2uva n ARG 1890Cb 0.31 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.25 2uva n ARG 1890CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 2uva n ILE 1891N 1.31 0.00 -3.72 0.55 5.41 -1.18 -4.74 119.36 116.99 2uva n ILE 1891Ca 0.20 0.38 -0.13 0.00 1.00 0.00 0.00 62.75 64.19 2uva n ILE 1891Cb 0.55 -1.31 -0.09 0.00 -0.71 0.00 0.00 39.64 38.08 2uva n ILE 1891CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 176.55 176.00 2uva s SER 1892N -3.06 -0.43 0.21 4.38 0.15 -1.25 -4.65 113.70 109.05 2uva s SER 1892Ca 0.00 0.78 0.13 0.00 0.70 0.00 0.00 55.95 57.56 2uva s SER 1892Cb 0.00 0.81 0.72 0.00 -1.71 0.00 0.00 66.02 65.84 2uva s SER 1892CO 0.00 -0.20 1.37 -2.65 1.20 0.00 0.00 173.24 172.96 2uva n PRO 1893N 2.59 0.09 0.04 5.44 -0.02 -1.26 -0.96 135.00 140.91 2uva n PRO 1893Ca -0.14 0.57 -0.08 0.00 -2.02 0.00 0.00 63.50 61.83 2uva n PRO 1893Cb 0.57 -1.84 -0.13 0.00 -0.02 0.00 0.00 33.50 32.08 2uva n PRO 1893CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 2uva h THR 1894N 0.00 1.49 -1.37 3.45 1.35 -1.92 -3.47 112.91 112.45 2uva h THR 1894Ca 0.00 -3.23 -0.52 0.00 -0.55 0.00 0.00 66.41 62.10 2uva h THR 1894Cb 0.11 2.75 -0.01 0.00 -1.73 0.00 0.00 68.15 69.27 2uva h THR 1894CO 0.00 0.86 1.60 0.33 -0.25 0.00 0.00 175.52 178.05 2uva n PHE 1895N -3.29 1.43 -1.44 4.73 -0.00 -0.13 -4.89 117.46 113.87 2uva n PHE 1895Ca -0.05 0.14 -0.29 0.00 -0.00 0.00 0.00 57.45 57.25 2uva n PHE 1895Cb 0.97 -2.60 0.12 0.00 -0.00 0.00 0.00 39.48 37.97 2uva n PHE 1895CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.76 177.75 2uva s THR 1896N 10.33 2.54 0.19 -2.13 2.01 -1.26 -4.80 115.64 122.53 2uva s THR 1896Ca 1.06 0.18 -0.11 0.00 0.31 0.00 0.00 61.69 63.12 2uva s THR 1896Cb -0.46 -2.85 0.12 0.00 0.01 0.00 0.00 72.50 69.32 2uva s THR 1896CO 0.34 -0.23 1.74 -0.08 -0.69 0.00 0.00 174.62 175.71 2uva h GLU 1897N -1.40 0.36 0.00 4.92 4.81 -1.93 -2.67 114.58 118.68 2uva h GLU 1897Ca -0.49 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 58.70 2uva h GLU 1897Cb 1.30 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 30.60 2uva h GLU 1897CO 0.59 0.24 -0.05 1.96 -0.73 0.00 0.00 179.01 181.02 2uva h GLN 1898N 0.37 0.00 -0.17 1.92 4.20 -1.97 -2.29 115.11 117.17 2uva h GLN 1898Ca 0.27 0.00 -0.19 0.00 0.06 0.00 0.00 58.65 58.78 2uva h GLN 1898Cb 0.31 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.09 2uva h GLN 1898CO -0.28 0.05 -0.67 0.00 -0.67 0.00 0.00 178.83 177.26 2uva h ALA 1899N 1.95 0.49 -0.24 3.87 0.00 -1.83 -1.88 119.26 121.62 2uva h ALA 1899Ca -0.00 -0.57 -0.13 0.00 0.00 0.00 0.00 54.91 54.21 2uva h ALA 1899Cb 0.43 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 2uva h ALA 1899CO 0.01 0.70 -0.41 1.25 0.00 0.00 0.00 179.25 180.80 2uva h LEU 1900N 0.49 0.62 -0.20 0.00 6.46 -1.24 -1.68 115.31 119.76 2uva h LEU 1900Ca -0.02 -0.28 -0.02 0.00 -0.12 0.00 0.00 57.88 57.44 2uva h LEU 1900Cb 1.27 -0.17 -0.01 0.00 -0.73 0.00 0.00 40.66 41.01 2uva h LEU 1900CO 0.13 0.95 0.05 1.56 -0.62 0.00 0.00 178.44 180.51 2uva h GLN 1901N 0.48 0.32 -0.16 1.25 4.20 -1.45 -2.58 115.11 117.17 2uva h GLN 1901Ca 0.04 -0.08 -0.00 0.00 0.06 0.00 0.00 58.65 58.67 2uva h GLN 1901Cb 0.91 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.65 2uva h GLN 1901CO 0.08 0.45 0.09 -0.92 -0.67 0.00 0.00 178.83 177.86 2uva h TYR 1902N 0.13 0.21 -0.90 2.96 3.20 -1.23 0.42 116.97 121.76 2uva h TYR 1902Ca 0.06 -0.00 0.17 0.00 3.14 0.00 0.00 58.73 62.10 2uva h TYR 1902Cb 0.27 -0.07 -0.10 0.00 1.54 0.00 0.00 36.73 38.37 2uva h TYR 1902CO 0.01 0.18 0.49 0.28 -1.64 0.00 0.00 178.16 177.48 2uva h VAL 1903N 0.18 0.70 0.13 1.81 2.07 -1.32 -2.01 116.25 117.80 2uva h VAL 1903Ca 0.06 -0.22 -0.01 0.00 0.82 0.00 0.00 66.70 67.35 2uva h VAL 1903Cb 0.04 -0.01 0.00 0.00 -1.52 0.00 0.00 31.29 29.80 2uva h VAL 1903CO -0.01 0.12 -0.06 0.58 0.02 0.00 0.00 177.57 178.22 2uva h VAL 1904N 0.65 0.26 -1.01 2.57 2.07 -0.97 -2.60 116.25 117.23 2uva h VAL 1904Ca 0.51 -1.03 0.24 0.00 0.82 0.00 0.00 66.70 67.24 2uva h VAL 1904Cb 0.77 0.48 -0.09 0.00 -1.52 0.00 0.00 31.29 30.92 2uva h VAL 1904CO -0.38 0.08 0.65 -0.33 0.02 0.00 0.00 177.57 177.61 2uva h GLU 1905N -1.02 0.43 0.28 1.57 5.08 -0.20 0.14 114.58 120.86 2uva h GLU 1905Ca -0.02 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 2uva h GLU 1905Cb 0.26 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.42 2uva h GLU 1905CO 0.03 0.28 -0.13 -0.91 -1.00 0.00 0.00 179.01 177.28 2uva h ASN 1906N 0.44 -0.32 -0.14 1.42 4.21 -1.47 -2.99 115.58 116.73 2uva h ASN 1906Ca 0.57 -0.21 0.04 0.00 1.21 0.00 0.00 56.30 57.91 2uva h ASN 1906Cb 1.36 0.08 -0.01 0.00 -1.12 0.00 0.00 38.32 38.64 2uva h ASN 1906CO -0.29 0.08 0.26 0.40 -1.29 0.00 0.00 177.43 176.60 2uva h ILE 1907N -0.78 0.23 0.41 2.81 2.04 -0.78 -1.52 117.51 119.92 2uva h ILE 1907Ca -0.04 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.80 2uva h ILE 1907Cb 0.51 0.77 0.00 0.00 -0.74 0.00 0.00 36.82 37.36 2uva h ILE 1907CO 0.06 0.00 -0.19 0.00 0.00 0.00 0.00 178.15 178.02 2uva h ALA 1908N 1.60 -0.54 0.00 1.87 0.00 -0.64 -2.76 119.26 118.80 2uva h ALA 1908Ca 0.07 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2uva h ALA 1908Cb 0.60 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.60 2uva h ALA 1908CO -0.00 -0.59 -0.56 0.39 0.00 0.00 0.00 179.25 178.49 2uva n GLU 1909N -5.17 0.02 -0.08 0.00 1.02 -1.12 -2.38 120.64 112.93 2uva n GLU 1909Ca -0.09 0.00 -0.16 0.00 -0.02 0.00 0.00 57.16 56.89 2uva n GLU 1909Cb 0.28 -1.51 -0.12 0.00 -0.02 0.00 0.00 31.44 30.07 2uva n GLU 1909CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 2uva h VAL 1910N 0.00 1.54 -0.02 2.62 2.07 -1.39 -3.36 116.25 117.71 2uva h VAL 1910Ca 0.00 -2.28 0.00 0.00 0.82 0.00 0.00 66.70 65.24 2uva h VAL 1910Cb 0.52 3.03 0.00 0.00 -1.52 0.00 0.00 31.29 33.32 2uva h VAL 1910CO 0.00 0.52 -0.09 0.35 0.02 0.00 0.00 177.57 178.37 2uva n THR 1911N -4.57 0.00 -0.84 2.57 -2.24 -1.04 -4.97 114.28 103.20 2uva n THR 1911Ca -0.15 -0.28 0.00 0.00 -2.27 0.00 0.00 64.05 61.35 2uva n THR 1911Cb 0.52 0.76 0.00 0.00 -2.10 0.00 0.00 70.33 69.51 2uva n THR 1911CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2uva n GLY 1912N 1.27 0.34 0.00 3.38 0.00 -1.00 -4.98 105.19 104.19 2uva n GLY 1912Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 2uva n GLY 1912CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2uva n TRP 1913N -2.18 -3.53 -4.06 1.61 8.01 -1.23 -5.00 117.44 111.07 2uva n TRP 1913Ca 0.00 0.00 -0.35 0.00 -1.31 0.00 0.00 57.50 55.84 2uva n TRP 1913Cb 0.12 0.00 -0.10 0.00 -2.01 0.00 0.00 31.31 29.32 2uva n TRP 1913CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.69 176.17 2uva s LEU 1914N 0.00 3.68 -0.30 -0.99 1.43 -1.26 -4.79 118.68 116.46 2uva s LEU 1914Ca 0.00 0.02 -0.15 0.00 -1.03 0.00 0.00 54.13 52.97 2uva s LEU 1914Cb 0.00 -1.93 0.16 0.00 0.03 0.00 0.00 46.19 44.45 2uva s LEU 1914CO 0.00 0.15 0.95 -0.22 0.23 0.00 0.00 176.35 177.46 2uva s LEU 1915N 0.48 -0.62 -0.06 1.79 2.96 -1.26 -0.53 118.68 121.44 2uva s LEU 1915Ca 0.02 0.88 -0.18 0.00 -0.22 0.00 0.00 54.13 54.63 2uva s LEU 1915Cb -0.13 1.75 0.04 0.00 0.50 0.00 0.00 46.19 48.34 2uva s LEU 1915CO 0.01 -0.13 0.42 -1.61 -1.32 0.00 0.00 176.35 173.73 2uva s GLU 1916N 2.27 0.71 -0.16 1.98 2.02 -1.17 -4.77 118.70 119.58 2uva s GLU 1916Ca -0.04 0.12 -0.29 0.00 0.02 0.00 0.00 54.97 54.78 2uva s GLU 1916Cb -0.06 0.33 -0.04 0.00 0.10 0.00 0.00 34.13 34.45 2uva s GLU 1916CO -0.17 -0.18 1.79 0.42 0.02 0.00 0.00 175.26 177.13 2uva s ILE 1917N -0.88 3.44 -0.18 -1.63 1.01 -1.26 -1.85 121.20 119.85 2uva s ILE 1917Ca -0.09 0.50 -0.04 0.00 0.00 0.00 0.00 60.65 61.02 2uva s ILE 1917Cb -0.04 -3.44 -0.22 0.00 0.01 0.00 0.00 42.46 38.77 2uva s ILE 1917CO 0.04 -0.17 0.13 0.52 0.00 0.00 0.00 174.94 175.47 2uva n VAL 1918N 6.38 1.67 -4.82 2.92 0.31 0.25 -4.94 118.33 120.10 2uva n VAL 1918Ca 0.21 -0.60 -0.33 0.00 -0.01 0.00 0.00 64.34 63.61 2uva n VAL 1918Cb 0.44 -1.63 -0.13 0.00 -0.91 0.00 0.00 33.84 31.61 2uva n VAL 1918CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 2uva s ASN 1919N -6.86 4.11 -0.43 4.52 0.02 -0.52 -4.98 114.94 110.80 2uva s ASN 1919Ca -0.28 -0.21 0.04 0.00 -1.02 0.00 0.00 52.86 51.39 2uva s ASN 1919Cb 0.08 -1.13 0.12 0.00 0.02 0.00 0.00 41.25 40.33 2uva s ASN 1919CO 0.70 0.29 0.16 -0.31 0.02 0.00 0.00 177.10 177.96 2uva s TYR 1920N -0.40 3.43 -0.07 2.20 2.02 -1.26 -2.03 117.35 121.24 2uva s TYR 1920Ca 0.05 -3.08 -0.07 0.00 -0.37 0.00 0.00 57.07 53.60 2uva s TYR 1920Cb -0.12 -2.85 -0.02 0.00 -0.40 0.00 0.00 41.96 38.56 2uva s TYR 1920CO 0.02 -0.84 -0.13 0.09 -1.57 0.00 0.00 175.55 173.12 2uva n ASN 1921N 3.65 0.77 -4.41 2.29 3.02 -0.41 -5.01 115.26 115.17 2uva n ASN 1921Ca 0.05 0.16 -0.31 0.00 -0.03 0.00 0.00 54.58 54.45 2uva n ASN 1921Cb 0.37 -0.60 -0.14 0.00 -0.61 0.00 0.00 39.78 38.80 2uva n ASN 1921CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2uva s VAL 1922N -1.74 2.53 0.55 2.41 1.01 -0.96 -4.96 120.40 119.24 2uva s VAL 1922Ca -0.11 -1.23 0.33 0.00 0.00 0.00 0.00 61.98 60.97 2uva s VAL 1922Cb 0.02 -2.02 0.50 0.00 0.00 0.00 0.00 36.38 34.87 2uva s VAL 1922CO 0.16 0.38 1.84 0.00 0.00 0.00 0.00 175.10 177.48 2uva h ALA 1923N 4.74 2.88 0.00 5.51 0.00 -1.95 -2.96 119.26 127.48 2uva h ALA 1923Ca -0.47 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.41 2uva h ALA 1923Cb 1.15 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.01 2uva h ALA 1923CO 0.46 -1.22 -0.15 0.09 0.00 0.00 0.00 179.25 178.43 2uva n ASN 1924N -4.13 0.75 -0.01 0.00 3.02 -1.26 -4.62 115.26 109.01 2uva n ASN 1924Ca 0.20 -0.05 0.04 0.00 -0.03 0.00 0.00 54.58 54.74 2uva n ASN 1924Cb 1.06 0.25 -0.06 0.00 -0.61 0.00 0.00 39.78 40.41 2uva n ASN 1924CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 2uva n MET 1925N -0.32 0.36 -3.47 3.52 2.81 -1.12 -3.01 117.12 115.89 2uva n MET 1925Ca 0.00 -0.07 -0.23 0.00 -1.81 0.00 0.00 57.70 55.59 2uva n MET 1925Cb 0.00 -1.20 -0.12 0.00 -0.71 0.00 0.00 33.22 31.19 2uva n MET 1925CO 0.00 0.00 0.00 -0.65 1.51 0.00 0.00 175.97 176.83 2uva s GLN 1926N -2.56 0.26 0.20 0.03 -0.21 -1.20 -4.38 119.66 111.80 2uva s GLN 1926Ca -0.03 -0.31 0.08 0.00 0.02 0.00 0.00 55.36 55.12 2uva s GLN 1926Cb 0.05 -0.91 -0.05 0.00 1.00 0.00 0.00 33.01 33.10 2uva s GLN 1926CO 0.35 -1.01 -0.16 0.71 -2.12 0.00 0.00 175.29 173.06 2uva s TYR 1927N 2.24 1.80 -0.03 0.91 1.51 -0.42 -1.29 117.35 122.07 2uva s TYR 1927Ca 0.09 -0.52 -0.01 0.00 -1.01 0.00 0.00 57.07 55.62 2uva s TYR 1927Cb -0.15 -0.84 0.03 0.00 -0.11 0.00 0.00 41.96 40.89 2uva s TYR 1927CO -0.34 0.39 0.05 0.08 -1.11 0.00 0.00 175.55 174.63 2uva s VAL 1928N -2.70 -0.05 0.02 0.71 1.01 -0.86 0.95 120.40 119.47 2uva s VAL 1928Ca 0.22 0.20 0.08 0.00 0.00 0.00 0.00 61.98 62.48 2uva s VAL 1928Cb -0.02 -0.11 -0.02 0.00 0.00 0.00 0.00 36.38 36.22 2uva s VAL 1928CO 0.08 0.08 -0.25 0.00 0.00 0.00 0.00 175.10 175.01 2uva s ALA 1929N 1.04 2.13 0.40 5.51 0.00 0.25 0.84 121.76 131.94 2uva s ALA 1929Ca -0.09 -1.16 0.04 0.00 0.00 0.00 0.00 51.96 50.75 2uva s ALA 1929Cb -0.12 -0.49 0.04 0.00 0.00 0.00 0.00 23.12 22.55 2uva s ALA 1929CO -0.03 0.51 0.33 0.00 0.00 0.00 0.00 175.76 176.56 2uva n ALA 1930N 2.10 0.65 0.00 0.00 0.00 -0.77 -1.34 120.51 121.15 2uva n ALA 1930Ca -0.16 -1.59 0.00 0.00 0.00 0.00 0.00 53.44 51.68 2uva n ALA 1930Cb 0.52 0.64 0.00 0.00 0.00 0.00 0.00 19.45 20.60 2uva n ALA 1930CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2uva n GLY 1931N 0.15 0.50 3.58 0.00 0.00 -1.18 -3.05 105.19 105.19 2uva n GLY 1931Ca -0.00 -2.16 -0.37 0.00 0.00 0.00 0.00 46.02 43.49 2uva n GLY 1931CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2uva n ASP 1932N 1.07 0.14 -0.14 1.61 2.03 0.32 -2.04 116.55 119.54 2uva n ASP 1932Ca 0.00 0.70 0.02 0.00 0.52 0.00 0.00 54.79 56.03 2uva n ASP 1932Cb 0.00 -1.35 0.31 0.00 -0.72 0.00 0.00 41.12 39.36 2uva n ASP 1932CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 2uva h LEU 1933N 0.01 0.72 -0.12 -2.67 3.38 -1.89 -1.72 115.31 113.02 2uva h LEU 1933Ca -0.47 -0.02 -0.21 0.00 0.09 0.00 0.00 57.88 57.26 2uva h LEU 1933Cb 1.35 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.91 2uva h LEU 1933CO 0.47 0.52 -0.99 0.03 0.09 0.00 0.00 178.44 178.57 2uva h ARG 1934N 0.85 0.13 0.00 1.13 3.08 -1.91 -2.34 114.38 115.32 2uva h ARG 1934Ca 0.23 -0.18 0.00 0.00 0.07 0.00 0.00 59.98 60.10 2uva h ARG 1934Cb -0.10 0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.01 2uva h ARG 1934CO -0.05 1.01 0.00 0.00 -1.07 0.00 0.00 179.97 179.86 2uva h ALA 1935N 0.92 1.00 -0.00 0.04 0.00 -1.75 0.23 119.26 119.70 2uva h ALA 1935Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2uva h ALA 1935Cb 1.68 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.47 2uva h ALA 1935CO 0.14 0.00 -0.62 1.28 0.00 0.00 0.00 179.25 180.05 2uva n LEU 1936N -3.07 0.71 -0.05 0.00 7.99 -0.68 -3.26 117.00 118.64 2uva n LEU 1936Ca 0.01 -0.17 -0.06 0.00 -0.01 0.00 0.00 56.01 55.79 2uva n LEU 1936Cb 0.36 -0.17 -0.15 0.00 -0.11 0.00 0.00 43.42 43.35 2uva n LEU 1936CO 0.29 0.17 -0.86 -0.67 -1.51 0.00 0.00 177.39 174.80 2uva n ASP 1937N -1.41 0.29 0.03 -1.43 2.03 -0.62 -2.45 116.55 112.99 2uva n ASP 1937Ca 0.06 0.13 -0.07 0.00 0.52 0.00 0.00 54.79 55.43 2uva n ASP 1937Cb 0.34 0.80 -0.12 0.00 -0.72 0.00 0.00 41.12 41.42 2uva n ASP 1937CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 2uva h THR 1938N 0.00 1.31 0.00 5.18 1.35 -0.75 -2.20 112.91 117.80 2uva h THR 1938Ca -0.37 -3.06 -0.09 0.00 -0.55 0.00 0.00 66.41 62.34 2uva h THR 1938Cb 1.95 2.64 -0.01 0.00 -1.73 0.00 0.00 68.15 71.00 2uva h THR 1938CO 0.04 0.74 -0.53 0.25 -0.25 0.00 0.00 175.52 175.77 2uva h LEU 1939N 0.00 0.00 -0.25 3.87 5.85 -1.72 -1.89 115.31 121.17 2uva h LEU 1939Ca -0.12 0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.49 2uva h LEU 1939Cb 1.85 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.88 2uva h LEU 1939CO 0.11 0.40 -0.24 0.00 -0.34 0.00 0.00 178.44 178.36 2uva h ALA 1940N 1.60 0.36 0.86 1.25 0.00 -1.51 -3.28 119.26 118.54 2uva h ALA 1940Ca -0.02 -0.38 -0.04 0.00 0.00 0.00 0.00 54.91 54.47 2uva h ALA 1940Cb 1.32 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 19.04 2uva h ALA 1940CO 0.05 0.34 -0.41 -0.91 0.00 0.00 0.00 179.25 178.31 2uva h ASN 1941N 0.31 -0.98 -1.04 0.00 2.35 -1.37 -3.16 115.58 111.69 2uva h ASN 1941Ca 0.04 0.03 0.28 0.00 -0.55 0.00 0.00 56.30 56.10 2uva h ASN 1941Cb 0.80 0.25 -0.07 0.00 0.05 0.00 0.00 38.32 39.35 2uva h ASN 1941CO 0.06 -0.68 0.70 0.58 -1.65 0.00 0.00 177.43 176.45 2uva h VAL 1942N -1.20 0.51 0.01 2.81 2.07 -1.47 0.11 116.25 119.09 2uva h VAL 1942Ca -0.12 -0.09 -0.19 0.00 0.82 0.00 0.00 66.70 67.12 2uva h VAL 1942Cb 0.88 0.24 -0.02 0.00 -1.52 0.00 0.00 31.29 30.87 2uva h VAL 1942CO 0.19 0.05 -0.91 -0.07 0.02 0.00 0.00 177.57 176.85 2uva h LEU 1943N 0.25 0.05 -0.80 2.57 3.38 -1.63 -1.82 115.31 117.30 2uva h LEU 1943Ca 0.55 -0.04 -0.11 0.00 0.09 0.00 0.00 57.88 58.37 2uva h LEU 1943Cb 1.68 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 42.40 2uva h LEU 1943CO -0.18 0.93 -0.28 0.78 0.09 0.00 0.00 178.44 179.78 2uva h ASN 1944N 0.02 0.59 0.63 -0.43 2.35 -0.77 -0.27 115.58 117.69 2uva h ASN 1944Ca -0.02 -0.22 -0.03 0.00 -0.55 0.00 0.00 56.30 55.48 2uva h ASN 1944Cb 1.60 -0.16 0.01 0.00 0.05 0.00 0.00 38.32 39.81 2uva h ASN 1944CO 0.12 0.85 -0.30 0.40 -1.65 0.00 0.00 177.43 176.85 2uva h ILE 1945N 0.50 0.25 0.00 2.81 5.03 -1.30 -2.60 117.51 122.20 2uva h ILE 1945Ca 0.07 -0.28 -0.02 0.00 -0.12 0.00 0.00 64.86 64.51 2uva h ILE 1945Cb 0.75 0.32 -0.00 0.00 -3.03 0.00 0.00 36.82 34.86 2uva h ILE 1945CO 0.06 0.03 -0.08 -0.07 -0.68 0.00 0.00 178.15 177.41 2uva h LEU 1946N -1.06 0.00 -0.01 1.44 3.38 -1.32 0.46 115.31 118.19 2uva h LEU 1946Ca -0.09 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.85 2uva h LEU 1946Cb 0.69 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.44 2uva h LEU 1946CO 0.14 0.08 -0.11 0.50 0.09 0.00 0.00 178.44 179.14 2uva h LYS 1947N 0.00 0.10 -0.00 1.13 1.63 -1.12 -3.07 116.57 115.24 2uva h LYS 1947Ca -0.00 -0.09 0.00 0.00 -0.85 0.00 0.00 60.65 59.71 2uva h LYS 1947Cb 0.47 0.02 0.00 0.00 -0.60 0.00 0.00 32.23 32.12 2uva h LYS 1947CO 0.01 0.79 -0.14 -1.33 -3.45 0.00 0.00 179.45 175.34 2uva n MET 1948N -4.64 0.14 0.00 1.90 2.81 -0.96 -2.64 117.12 113.74 2uva n MET 1948Ca -0.09 -0.03 0.12 0.00 -1.81 0.00 0.00 57.70 55.89 2uva n MET 1948Cb 0.41 -1.50 0.22 0.00 -0.71 0.00 0.00 33.22 31.65 2uva n MET 1948CO 0.00 0.00 0.00 0.94 1.51 0.00 0.00 175.97 178.42 2uva n GLN 1949N -1.40 0.78 -3.70 0.03 7.27 0.16 -4.99 117.38 115.53 2uva n GLN 1949Ca 0.08 -0.53 -0.23 0.00 0.07 0.00 0.00 57.00 56.40 2uva n GLN 1949Cb 0.32 -1.49 0.04 0.00 2.41 0.00 0.00 30.24 31.52 2uva n GLN 1949CO 0.00 0.00 0.00 1.63 0.07 0.00 0.00 177.06 178.76 2uva n LYS 1950N -0.65 -5.41 -2.15 3.69 4.76 -1.08 -4.95 118.16 112.37 2uva n LYS 1950Ca 0.10 0.66 -0.28 0.00 -2.87 0.00 0.00 58.31 55.91 2uva n LYS 1950Cb 0.38 -5.36 0.04 0.00 -1.84 0.00 0.00 35.03 28.25 2uva n LYS 1950CO 0.00 0.00 0.00 0.96 -1.37 0.00 0.00 177.40 176.99 2uva s ILE 1951N -3.55 3.66 -0.17 -0.18 -4.36 -1.16 -5.08 121.20 110.35 2uva s ILE 1951Ca 0.15 0.26 -0.05 0.00 -0.26 0.00 0.00 60.65 60.76 2uva s ILE 1951Cb -0.07 -3.50 0.06 0.00 1.25 0.00 0.00 42.46 40.20 2uva s ILE 1951CO 0.80 -0.58 0.09 -0.62 0.24 0.00 0.00 174.94 174.87 2uva s ASP 1952N -4.32 2.41 0.00 4.36 -1.08 -1.26 -4.84 116.67 111.94 2uva s ASP 1952Ca 0.56 -0.64 0.29 0.00 -0.52 0.00 0.00 52.55 52.24 2uva s ASP 1952Cb -0.11 -0.27 1.33 0.00 -1.46 0.00 0.00 42.92 42.41 2uva s ASP 1952CO 0.48 -0.35 1.94 -0.38 0.52 0.00 0.00 175.17 177.38 2uva n ILE 1953N 5.26 0.00 0.06 4.11 5.41 -1.26 -2.27 119.36 130.67 2uva n ILE 1953Ca -0.07 -0.02 -0.21 0.00 1.00 0.00 0.00 62.75 63.44 2uva n ILE 1953Cb 0.49 -0.31 -0.15 0.00 -0.71 0.00 0.00 39.64 38.96 2uva n ILE 1953CO 0.00 0.00 0.00 1.56 0.00 0.00 0.00 176.55 178.11 2uva h GLN 1954N 0.22 0.33 0.00 0.38 7.50 -1.95 -3.07 115.11 118.52 2uva h GLN 1954Ca 0.00 -0.57 -0.05 0.00 0.50 0.00 0.00 58.65 58.54 2uva h GLN 1954Cb 0.34 0.21 -0.01 0.00 0.05 0.00 0.00 27.48 28.08 2uva h GLN 1954CO 0.00 1.27 -0.23 0.00 -1.50 0.00 0.00 178.83 178.37 2uva h ALA 1955N 0.06 0.99 -0.01 3.87 0.00 -1.99 -3.15 119.26 119.02 2uva h ALA 1955Ca -0.21 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.49 2uva h ALA 1955Cb 1.78 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.53 2uva h ALA 1955CO 0.15 0.29 -0.11 1.28 0.00 0.00 0.00 179.25 180.86 2uva n LEU 1956N -3.35 1.32 -0.00 0.00 4.77 -0.96 -2.35 117.00 116.43 2uva n LEU 1956Ca 0.00 -0.41 0.09 0.00 -0.03 0.00 0.00 56.01 55.67 2uva n LEU 1956Cb 0.46 -0.05 -0.12 0.00 -2.33 0.00 0.00 43.42 41.37 2uva n LEU 1956CO 0.34 0.23 -0.22 0.23 -1.33 0.00 0.00 177.39 176.64 2uva n MET 1957N -0.15 0.56 -0.11 3.23 2.81 -1.16 -3.05 117.12 119.25 2uva n MET 1957Ca 0.16 -0.04 -0.13 0.00 -1.81 0.00 0.00 57.70 55.87 2uva n MET 1957Cb 0.36 -1.44 -0.13 0.00 -0.71 0.00 0.00 33.22 31.30 2uva n MET 1957CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 2uva n GLN 1958N -1.64 0.74 0.17 0.03 6.02 -1.24 -4.66 117.38 116.80 2uva n GLN 1958Ca 0.02 0.07 -0.07 0.00 -0.01 0.00 0.00 57.00 57.01 2uva n GLN 1958Cb 0.36 -1.48 -0.04 0.00 1.02 0.00 0.00 30.24 30.10 2uva n GLN 1958CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 177.06 176.82 2uva h SER 1959N 0.00 -0.41 -2.77 1.08 0.02 -1.66 -3.45 113.55 106.36 2uva h SER 1959Ca -0.53 0.01 -0.65 0.00 -0.84 0.00 0.00 61.79 59.79 2uva h SER 1959Cb 1.98 0.11 -0.06 0.00 0.14 0.00 0.00 62.40 64.57 2uva h SER 1959CO -0.03 -0.10 -0.46 -0.04 -1.14 0.00 0.00 176.83 175.05 2uva s MET 1960N -3.23 3.48 0.00 3.45 -1.94 -1.17 -5.08 119.30 114.80 2uva s MET 1960Ca -0.07 -0.19 0.00 0.00 -1.71 0.00 0.00 55.69 53.72 2uva s MET 1960Cb 0.01 -3.13 0.00 0.00 2.01 0.00 0.00 34.83 33.72 2uva s MET 1960CO 0.21 0.71 0.00 0.43 -0.01 0.00 0.00 175.02 176.36 2uva n SER 1961N 1.35 -1.43 -0.02 3.03 7.64 -1.26 -4.09 113.62 118.85 2uva n SER 1961Ca -0.14 -0.28 -0.12 0.00 1.01 0.00 0.00 58.87 59.35 2uva n SER 1961Cb 0.53 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.75 2uva n SER 1961CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 2uva h LEU 1962N 0.00 0.74 -1.02 -3.43 3.38 -1.92 -3.07 115.31 109.98 2uva h LEU 1962Ca 0.00 -0.41 -0.04 0.00 0.09 0.00 0.00 57.88 57.52 2uva h LEU 1962Cb 0.00 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 2uva h LEU 1962CO 0.00 1.16 -0.17 -0.33 0.09 0.00 0.00 178.44 179.19 2uva h GLU 1963N 0.49 0.00 0.23 1.13 5.08 -1.97 -1.80 114.58 117.74 2uva h GLU 1963Ca -0.00 0.00 -0.33 0.00 -1.00 0.00 0.00 59.36 58.02 2uva h GLU 1963Cb 1.17 0.00 0.03 0.00 0.50 0.00 0.00 28.75 30.45 2uva h GLU 1963CO 0.12 0.17 -1.50 -0.44 -1.00 0.00 0.00 179.01 176.35 2uva h ASP 1964N 0.00 0.77 1.28 1.42 5.19 -1.87 0.19 116.42 123.39 2uva h ASP 1964Ca -0.00 -0.87 -0.07 0.00 -0.62 0.00 0.00 57.03 55.47 2uva h ASP 1964Cb 0.76 -0.25 -0.01 0.00 0.18 0.00 0.00 39.33 40.01 2uva h ASP 1964CO 0.02 1.69 -0.75 -0.37 -3.12 0.00 0.00 179.24 176.71 2uva h VAL 1965N 0.13 0.35 -0.09 -1.35 -1.51 -1.62 -2.16 116.25 110.00 2uva h VAL 1965Ca -0.26 -1.57 -0.10 0.00 -1.23 0.00 0.00 66.70 63.54 2uva h VAL 1965Cb 2.14 1.99 0.00 0.00 -2.13 0.00 0.00 31.29 33.29 2uva h VAL 1965CO 0.25 0.20 -0.34 -0.09 -1.23 0.00 0.00 177.57 176.37 2uva h ARG 1966N 0.00 0.39 0.00 5.19 9.65 -1.33 -1.27 114.38 127.01 2uva h ARG 1966Ca -0.04 -0.30 0.00 0.00 -1.10 0.00 0.00 59.98 58.54 2uva h ARG 1966Cb 1.25 0.06 0.00 0.00 -1.39 0.00 0.00 29.97 29.88 2uva h ARG 1966CO 0.03 0.93 0.00 0.00 2.80 0.00 0.00 179.97 183.72 2uva h ALA 1967N 0.47 1.00 0.00 2.80 0.00 -0.75 -1.94 119.26 120.83 2uva h ALA 1967Ca -0.02 0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.73 2uva h ALA 1967Cb 0.97 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 2uva h ALA 1967CO 0.07 0.00 -0.77 1.25 0.00 0.00 0.00 179.25 179.80 2uva h HIS 1968N 0.00 0.00 0.05 0.00 -0.00 -1.35 -3.25 115.15 110.61 2uva h HIS 1968Ca 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 60.37 60.25 2uva h HIS 1968Cb 0.76 0.00 0.01 0.00 -0.00 0.00 0.00 27.41 28.18 2uva h HIS 1968CO 0.00 0.77 -0.50 -0.07 -0.00 0.00 0.00 177.93 178.13 2uva h LEU 1969N 0.00 0.35 -1.21 0.26 3.38 -1.00 -3.22 115.31 113.87 2uva h LEU 1969Ca -0.01 -0.88 0.00 0.00 0.09 0.00 0.00 57.88 57.09 2uva h LEU 1969Cb 1.36 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 42.01 2uva h LEU 1969CO 0.10 1.19 0.17 0.58 0.09 0.00 0.00 178.44 180.57 2uva h VAL 1970N -0.45 0.00 0.08 1.22 2.07 -1.46 0.90 116.25 118.61 2uva h VAL 1970Ca -0.08 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.44 2uva h VAL 1970Cb 1.31 0.40 0.00 0.00 -1.52 0.00 0.00 31.29 31.48 2uva h VAL 1970CO 0.10 0.00 -0.04 -0.33 0.02 0.00 0.00 177.57 177.32 2uva h GLU 1971N 0.00 -0.10 -0.19 1.57 5.08 -1.58 -3.22 114.58 116.13 2uva h GLU 1971Ca 0.00 0.01 0.06 0.00 -1.00 0.00 0.00 59.36 58.42 2uva h GLU 1971Cb 0.34 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 2uva h GLU 1971CO 0.00 -0.07 0.21 0.82 -1.00 0.00 0.00 179.01 178.97 2uva h ILE 1972N -0.33 0.48 0.57 3.13 2.04 -1.36 -2.00 117.51 120.04 2uva h ILE 1972Ca -0.01 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.82 2uva h ILE 1972Cb 0.08 0.83 0.01 0.00 -0.74 0.00 0.00 36.82 37.00 2uva h ILE 1972CO 0.02 0.00 -0.27 0.40 0.00 0.00 0.00 178.15 178.29 2uva h ILE 1973N 0.00 0.00 -0.32 -0.67 2.04 -1.00 -1.91 117.51 115.64 2uva h ILE 1973Ca 0.09 -0.39 0.01 0.00 1.00 0.00 0.00 64.86 65.56 2uva h ILE 1973Cb 0.50 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.57 2uva h ILE 1973CO -0.00 0.00 0.21 1.56 0.00 0.00 0.00 178.15 179.92 2uva h GLN 1974N -1.16 0.41 0.40 2.37 7.50 -1.52 0.19 115.11 123.30 2uva h GLN 1974Ca -0.08 -0.02 -0.02 0.00 0.50 0.00 0.00 58.65 59.03 2uva h GLN 1974Cb 0.58 -0.09 0.00 0.00 0.05 0.00 0.00 27.48 28.03 2uva h GLN 1974CO 0.13 0.27 -0.19 0.93 -1.50 0.00 0.00 178.83 178.47 2uva h GLU 1975N 0.42 -0.52 0.00 1.46 5.08 -1.43 -2.65 114.58 116.94 2uva h GLU 1975Ca 0.12 0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 2uva h GLU 1975Cb -0.03 0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.34 2uva h GLU 1975CO -0.03 -0.35 0.00 0.00 -1.00 0.00 0.00 179.01 177.64 2uva h ARG 1977N 0.00 -0.30 0.00 0.00 2.43 -0.50 -3.27 114.38 112.74 2uva h ARG 1977Ca 0.00 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 2uva h ARG 1977Cb 0.08 0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.69 2uva h ARG 1977CO 0.00 -0.20 0.00 1.63 -1.51 0.00 0.00 179.97 179.89 2uva n LYS 1978N -4.98 0.04 0.06 0.20 5.02 -1.01 -1.69 118.16 115.80 2uva n LYS 1978Ca -0.04 0.20 -0.15 0.00 -2.02 0.00 0.00 58.31 56.30 2uva n LYS 1978Cb 0.12 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 33.57 2uva n LYS 1978CO 0.00 0.00 0.00 1.96 -0.52 0.00 0.00 177.40 178.84 2uva h GLN 1979N 0.00 0.50 0.00 1.97 4.20 -1.68 -2.95 115.11 117.15 2uva h GLN 1979Ca 0.00 -0.53 -0.08 0.00 0.06 0.00 0.00 58.65 58.09 2uva h GLN 1979Cb 0.26 0.15 -0.01 0.00 0.30 0.00 0.00 27.48 28.18 2uva h GLN 1979CO 0.00 1.17 -0.40 1.79 -0.67 0.00 0.00 178.83 180.72 2uva h THR 1980N 0.28 0.76 -0.06 -0.54 1.35 -1.37 -3.18 112.91 110.15 2uva h THR 1980Ca -0.09 -1.84 -0.24 0.00 -0.55 0.00 0.00 66.41 63.69 2uva h THR 1980Cb 1.61 2.20 0.02 0.00 -1.73 0.00 0.00 68.15 70.25 2uva h THR 1980CO 0.18 0.39 -0.88 -0.33 -0.25 0.00 0.00 175.52 174.63 2uva h GLU 1981N 0.00 0.70 0.00 4.72 5.08 -1.42 -3.21 114.58 120.45 2uva h GLU 1981Ca -0.00 -0.68 -0.05 0.00 -1.00 0.00 0.00 59.36 57.63 2uva h GLU 1981Cb 1.17 0.17 -0.01 0.00 0.50 0.00 0.00 28.75 30.58 2uva h GLU 1981CO 0.05 1.27 -0.25 0.00 -1.00 0.00 0.00 179.01 179.08 2uva h ALA 1982N 0.45 0.90 -2.31 3.43 0.00 -1.63 -3.45 119.26 116.65 2uva h ALA 1982Ca -0.09 -0.23 -0.50 0.00 0.00 0.00 0.00 54.91 54.09 2uva h ALA 1982Cb 1.53 -0.04 0.14 0.00 0.00 0.00 0.00 17.79 19.43 2uva h ALA 1982CO 0.18 0.31 0.28 0.15 0.00 0.00 0.00 179.25 180.17 2uva s LYS 1983N -3.34 1.79 0.47 0.00 1.02 -1.20 -4.95 119.74 113.54 2uva s LYS 1983Ca 0.03 1.10 -0.19 0.00 0.02 0.00 0.00 55.97 56.93 2uva s LYS 1983Cb 0.08 -1.85 -0.15 0.00 -0.52 0.00 0.00 37.83 35.39 2uva s LYS 1983CO 0.67 -1.95 -0.06 -0.35 -0.92 0.00 0.00 175.35 172.74 2uva n PRO 1984N -3.72 0.00 -0.21 -1.68 -0.04 -1.26 -4.90 135.00 123.19 2uva n PRO 1984Ca 0.09 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.46 2uva n PRO 1984Cb 0.54 -1.00 0.02 0.00 -0.04 0.00 0.00 33.50 33.02 2uva n PRO 1984CO 0.00 0.00 0.00 -0.56 -0.04 0.00 0.00 175.50 174.90 2uva h GLN 1985N 0.10 0.92 -4.89 0.54 3.07 -1.92 -3.34 115.11 109.59 2uva h GLN 1985Ca -0.40 -0.21 -0.68 0.00 0.09 0.00 0.00 58.65 57.45 2uva h GLN 1985Cb 1.45 -0.12 -0.18 0.00 0.08 0.00 0.00 27.48 28.70 2uva h GLN 1985CO 0.43 0.84 0.20 -2.14 0.09 0.00 0.00 178.83 178.26 2uva s PRO 1986N -5.34 3.07 -0.40 0.06 0.02 -1.26 -5.01 135.00 126.14 2uva s PRO 1986Ca -0.13 -1.15 -0.29 0.00 0.02 0.00 0.00 61.00 59.45 2uva s PRO 1986Cb 0.13 -4.23 0.01 0.00 0.02 0.00 0.00 34.50 30.42 2uva s PRO 1986CO 0.81 -1.56 1.38 0.08 -0.33 0.00 0.00 177.00 177.38 2uva s VAL 1987N 2.98 3.96 -1.04 3.83 1.01 -1.25 -4.94 120.40 124.94 2uva s VAL 1987Ca 0.14 1.00 -0.23 0.00 0.00 0.00 0.00 61.98 62.89 2uva s VAL 1987Cb -0.22 -4.22 0.01 0.00 0.00 0.00 0.00 36.38 31.95 2uva s VAL 1987CO 0.08 -0.72 1.69 -1.10 0.00 0.00 0.00 175.10 175.05 2uva s GLN 1988N 4.78 3.21 0.34 2.72 -1.52 -1.26 -4.93 119.66 122.99 2uva s GLN 1988Ca 0.60 -0.98 -0.29 0.00 -1.95 0.00 0.00 55.36 52.73 2uva s GLN 1988Cb -0.14 -5.28 -0.11 0.00 -0.22 0.00 0.00 33.01 27.26 2uva s GLN 1988CO 0.31 -2.76 1.56 -0.51 -0.25 0.00 0.00 175.29 173.63 2uva s LEU 1989N 7.09 4.33 0.40 2.90 1.43 -1.26 -5.01 118.68 128.55 2uva s LEU 1989Ca 0.57 3.02 0.03 0.00 -1.03 0.00 0.00 54.13 56.73 2uva s LEU 1989Cb -0.02 -3.65 -0.04 0.00 0.03 0.00 0.00 46.19 42.51 2uva s LEU 1989CO -0.02 -0.92 0.08 -1.61 0.23 0.00 0.00 176.35 174.12 2uva s GLU 1990N -1.28 1.88 -0.21 1.70 2.02 -1.26 -4.88 118.70 116.66 2uva s GLU 1990Ca 0.58 -2.12 -0.29 0.00 0.02 0.00 0.00 54.97 53.16 2uva s GLU 1990Cb -0.48 -0.85 -0.02 0.00 0.10 0.00 0.00 34.13 32.88 2uva s GLU 1990CO 0.56 -0.35 1.44 0.50 0.02 0.00 0.00 175.26 177.42 2uva s ARG 1991N -3.79 3.99 0.00 1.61 3.52 -1.26 -4.67 118.95 118.35 2uva s ARG 1991Ca 0.26 1.60 0.00 0.00 -0.13 0.00 0.00 55.73 57.45 2uva s ARG 1991Cb 0.05 -3.91 0.00 0.00 -1.56 0.00 0.00 34.95 29.52 2uva s ARG 1991CO 0.13 -1.04 0.00 0.41 -0.81 0.00 0.00 175.30 173.99 2uva n GLY 1992N 4.23 1.62 0.09 8.12 0.00 0.14 -4.98 105.19 114.41 2uva n GLY 1992Ca 0.16 -1.67 -0.17 0.00 0.00 0.00 0.00 46.02 44.33 2uva n GLY 1992CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 2uva h PHE 1993N 0.00 0.26 0.00 1.61 -1.00 -1.93 -3.40 116.94 112.49 2uva h PHE 1993Ca 0.00 -0.19 0.00 0.00 2.81 0.00 0.00 57.97 60.59 2uva h PHE 1993Cb 0.00 -0.01 0.00 0.00 3.61 0.00 0.00 35.95 39.55 2uva h PHE 1993CO 0.00 1.19 0.00 0.00 -1.61 0.00 0.00 178.31 177.89 2uva n ALA 1994N -2.70 1.85 -2.97 2.45 0.00 -1.26 -4.92 120.51 112.95 2uva n ALA 1994Ca -0.14 -0.16 -0.44 0.00 0.00 0.00 0.00 53.44 52.70 2uva n ALA 1994Cb 0.67 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.10 2uva n ALA 1994CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2uva s THR 1995N -0.52 4.91 -0.40 0.00 2.01 -1.26 -2.64 115.64 117.73 2uva s THR 1995Ca 0.00 -1.97 -0.06 0.00 0.31 0.00 0.00 61.69 59.97 2uva s THR 1995Cb 0.00 -4.79 0.09 0.00 0.01 0.00 0.00 72.50 67.82 2uva s THR 1995CO 0.00 -1.49 0.21 -0.63 -0.69 0.00 0.00 174.62 172.02 2uva s ILE 1996N 2.10 3.68 0.52 1.82 1.01 -0.99 0.23 121.20 129.56 2uva s ILE 1996Ca 0.34 -1.71 -0.22 0.00 0.00 0.00 0.00 60.65 59.06 2uva s ILE 1996Cb -0.05 -3.36 -0.06 0.00 0.01 0.00 0.00 42.46 39.01 2uva s ILE 1996CO -0.07 -0.56 1.30 -2.84 0.00 0.00 0.00 174.94 172.77 2uva s PRO 1997N 1.28 3.35 -0.48 2.79 0.02 -1.26 -2.01 135.00 138.69 2uva s PRO 1997Ca 0.04 2.10 -0.23 0.00 0.02 0.00 0.00 61.00 62.94 2uva s PRO 1997Cb -0.23 -2.32 0.03 0.00 0.02 0.00 0.00 34.50 32.00 2uva s PRO 1997CO -0.01 -0.98 0.79 -0.51 -0.33 0.00 0.00 177.00 175.96 2uva s LEU 1998N -3.33 4.32 -0.24 -5.54 1.43 -0.17 -4.83 118.68 110.32 2uva s LEU 1998Ca 0.69 -0.27 -0.29 0.00 -1.03 0.00 0.00 54.13 53.22 2uva s LEU 1998Cb -0.37 -2.86 -0.02 0.00 0.03 0.00 0.00 46.19 42.98 2uva s LEU 1998CO 0.44 -0.97 1.44 0.00 0.23 0.00 0.00 176.35 177.49 2uva s ARG 1999N 3.33 3.92 0.00 1.70 1.70 -1.26 -3.80 118.95 124.54 2uva s ARG 1999Ca 0.28 1.52 0.00 0.00 -0.47 0.00 0.00 55.73 57.06 2uva s ARG 1999Cb -0.13 -3.93 0.00 0.00 -0.57 0.00 0.00 34.95 30.32 2uva s ARG 1999CO 0.20 -1.12 0.00 0.41 -1.08 0.00 0.00 175.30 173.71 2uva n GLY 2000N 4.35 1.82 2.81 3.88 0.00 -1.26 -5.13 105.19 111.67 2uva n GLY 2000Ca 0.16 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.91 2uva n GLY 2000CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2uva s ILE 2001N -2.00 0.80 -0.16 -0.61 1.01 -1.25 -5.00 121.20 114.00 2uva s ILE 2001Ca 0.00 -0.54 -0.14 0.00 0.00 0.00 0.00 60.65 59.97 2uva s ILE 2001Cb 0.00 -1.11 -0.23 0.00 0.01 0.00 0.00 42.46 41.13 2uva s ILE 2001CO 0.00 -0.01 0.33 0.44 0.00 0.00 0.00 174.94 175.70 2uva h ASP 2002N 8.19 0.23 -3.15 3.58 3.32 -1.95 -3.37 116.42 123.27 2uva h ASP 2002Ca -0.20 -0.75 -0.59 0.00 0.02 0.00 0.00 57.03 55.51 2uva h ASP 2002Cb 1.11 -0.08 -0.06 0.00 0.22 0.00 0.00 39.33 40.52 2uva h ASP 2002CO 0.35 1.67 -0.17 -0.69 -1.72 0.00 0.00 179.24 178.68 2uva s VAL 2003N -2.46 5.07 -1.28 -1.35 1.01 -1.26 -3.95 120.40 116.17 2uva s VAL 2003Ca -0.25 0.90 -0.18 0.00 0.00 0.00 0.00 61.98 62.45 2uva s VAL 2003Cb 0.06 -3.76 0.07 0.00 0.00 0.00 0.00 36.38 32.75 2uva s VAL 2003CO 0.69 0.48 1.71 -2.84 0.00 0.00 0.00 175.10 175.15 2uva s PRO 2004N -0.45 3.96 0.43 2.72 0.02 -1.26 -4.85 135.00 135.58 2uva s PRO 2004Ca 0.24 -1.96 -0.05 0.00 0.02 0.00 0.00 61.00 59.26 2uva s PRO 2004Cb -0.16 -5.51 -0.04 0.00 0.02 0.00 0.00 34.50 28.80 2uva s PRO 2004CO 0.12 -2.24 0.73 -0.59 -0.33 0.00 0.00 177.00 174.69 2uva s PHE 2005N 4.20 3.53 -0.93 6.54 -0.12 -1.26 -4.15 117.98 125.80 2uva s PHE 2005Ca 0.53 0.77 -0.05 0.00 -0.05 0.00 0.00 56.93 58.13 2uva s PHE 2005Cb 0.04 -2.25 0.01 0.00 -0.63 0.00 0.00 43.02 40.18 2uva s PHE 2005CO 0.06 -0.15 0.81 0.72 -0.05 0.00 0.00 175.22 176.61 2uva n HIS 2006N -1.92 -1.94 -4.20 3.49 8.25 -1.26 -4.95 115.22 112.69 2uva n HIS 2006Ca -0.00 0.70 -0.18 0.00 -0.26 0.00 0.00 57.72 57.99 2uva n HIS 2006Cb 0.55 -3.88 -0.06 0.00 1.12 0.00 0.00 29.99 27.71 2uva n HIS 2006CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 2uva s SER 2007N -3.35 1.37 0.50 0.41 1.04 -1.26 -4.67 113.70 107.75 2uva s SER 2007Ca 0.34 -1.65 0.19 0.00 0.48 0.00 0.00 55.95 55.31 2uva s SER 2007Cb -0.15 0.60 1.26 0.00 0.10 0.00 0.00 66.02 67.83 2uva s SER 2007CO 0.51 -1.16 2.08 0.74 0.98 0.00 0.00 173.24 176.39 2uva h THR 2008N 2.13 0.92 -0.14 2.02 2.02 -1.96 -3.23 112.91 114.65 2uva h THR 2008Ca -0.26 -0.38 0.05 0.00 0.77 0.00 0.00 66.41 66.59 2uva h THR 2008Cb 1.23 1.21 -0.06 0.00 -1.74 0.00 0.00 68.15 68.80 2uva h THR 2008CO 0.37 0.10 -0.25 0.15 0.37 0.00 0.00 175.52 176.27 2uva h PHE 2009N 0.00 -0.67 0.00 3.16 3.57 -1.97 -0.66 116.94 120.37 2uva h PHE 2009Ca -0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 2uva h PHE 2009Cb 0.20 0.32 0.00 0.00 2.79 0.00 0.00 35.95 39.26 2uva h PHE 2009CO 0.00 -0.33 0.00 1.28 -2.23 0.00 0.00 178.31 177.03 2uva n LEU 2010N -5.37 0.20 0.21 0.59 4.77 -1.22 -3.24 117.00 112.93 2uva n LEU 2010Ca -0.03 -0.10 0.06 0.00 -0.03 0.00 0.00 56.01 55.91 2uva n LEU 2010Cb 0.29 -0.10 0.47 0.00 -2.33 0.00 0.00 43.42 41.75 2uva n LEU 2010CO 0.17 0.05 0.81 -0.09 -1.33 0.00 0.00 177.39 177.01 2uva h ARG 2011N 0.11 0.00 0.60 3.23 2.43 -1.30 -3.21 114.38 116.24 2uva h ARG 2011Ca 0.00 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.15 2uva h ARG 2011Cb 0.10 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.65 2uva h ARG 2011CO 0.00 0.28 -0.36 0.77 -1.51 0.00 0.00 179.97 179.15 2uva h SER 2012N 0.00 -0.89 0.00 -3.80 0.02 -1.77 -2.90 113.55 104.21 2uva h SER 2012Ca -0.00 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 2uva h SER 2012Cb 0.54 0.26 0.00 0.00 0.14 0.00 0.00 62.40 63.33 2uva h SER 2012CO 0.04 -0.56 0.00 0.61 -1.14 0.00 0.00 176.83 175.77 2uva n GLY 2013N -1.50 -0.66 0.27 -3.77 0.00 -1.21 -3.44 105.19 94.87 2uva n GLY 2013Ca -0.13 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.05 2uva n GLY 2013CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2uva h VAL 2014N 0.00 0.13 0.33 1.61 2.07 -1.57 -3.19 116.25 115.63 2uva h VAL 2014Ca 0.00 -0.63 -0.02 0.00 0.82 0.00 0.00 66.70 66.87 2uva h VAL 2014Cb 0.06 1.56 0.00 0.00 -1.52 0.00 0.00 31.29 31.39 2uva h VAL 2014CO 0.00 0.05 -0.16 0.11 0.02 0.00 0.00 177.57 177.59 2uva h LYS 2015N 0.00 -0.42 -0.34 1.57 1.57 -1.78 -2.95 116.57 114.22 2uva h LYS 2015Ca -0.00 0.03 -0.10 0.00 -1.87 0.00 0.00 60.65 58.71 2uva h LYS 2015Cb 0.55 0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.95 2uva h LYS 2015CO 0.01 -0.11 -0.16 -1.35 -0.57 0.00 0.00 179.45 177.27 2uva h PRO 2016N -0.78 0.71 -0.46 3.15 0.11 -1.85 -3.15 132.00 129.73 2uva h PRO 2016Ca -0.05 -0.31 0.02 0.00 0.11 0.00 0.00 66.00 65.77 2uva h PRO 2016Cb 0.51 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 31.58 2uva h PRO 2016CO 0.07 0.91 0.31 0.35 -0.21 0.00 0.00 178.00 179.43 2uva h PHE 2017N 0.49 0.54 0.29 0.65 3.57 -1.66 -1.29 116.94 119.54 2uva h PHE 2017Ca 0.08 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.58 2uva h PHE 2017Cb 0.69 -0.18 0.00 0.00 2.79 0.00 0.00 35.95 39.25 2uva h PHE 2017CO 0.06 0.33 -0.14 -0.09 -2.23 0.00 0.00 178.31 176.24 2uva h ARG 2018N 0.58 -0.38 0.00 1.11 2.43 -1.51 -0.98 114.38 115.62 2uva h ARG 2018Ca 0.18 0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.37 2uva h ARG 2018Cb 0.01 0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 29.65 2uva h ARG 2018CO -0.04 -0.08 -0.00 0.66 -1.51 0.00 0.00 179.97 179.00 2uva h SER 2019N -0.69 0.00 0.05 -3.80 4.64 -1.43 -0.52 113.55 111.80 2uva h SER 2019Ca -0.04 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.13 2uva h SER 2019Cb 0.48 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.58 2uva h SER 2019CO 0.07 0.00 -0.62 0.15 -0.87 0.00 0.00 176.83 175.55 2uva h PHE 2020N 0.00 0.53 -0.13 4.77 3.57 -1.09 -3.11 116.94 121.48 2uva h PHE 2020Ca -0.00 -0.32 0.04 0.00 3.53 0.00 0.00 57.97 61.21 2uva h PHE 2020Cb 0.01 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 38.70 2uva h PHE 2020CO 0.00 1.18 0.12 -0.07 -2.23 0.00 0.00 178.31 177.31 2uva h LEU 2021N -0.27 0.00 0.00 0.59 3.38 0.28 -0.87 115.31 118.41 2uva h LEU 2021Ca -0.09 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.76 2uva h LEU 2021Cb 1.39 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.13 2uva h LEU 2021CO 0.12 0.00 -0.58 -0.07 0.09 0.00 0.00 178.44 178.00 2uva h LEU 2022N 0.00 0.00 -0.35 1.67 3.38 -1.38 0.99 115.31 119.62 2uva h LEU 2022Ca 0.06 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.84 2uva h LEU 2022Cb 0.31 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.06 2uva h LEU 2022CO -0.00 0.57 -0.69 0.11 0.09 0.00 0.00 178.44 178.53 2uva h LYS 2023N 0.00 0.59 0.00 1.13 1.57 -1.12 -3.36 116.57 115.38 2uva h LYS 2023Ca -0.01 -0.44 -0.26 0.00 -1.87 0.00 0.00 60.65 58.07 2uva h LYS 2023Cb 1.44 0.08 -0.04 0.00 0.08 0.00 0.00 32.23 33.79 2uva h LYS 2023CO 0.07 1.07 -1.60 0.87 -0.57 0.00 0.00 179.45 179.29 2uva h LYS 2024N 0.42 0.00 -5.70 3.15 1.79 -1.18 -3.46 116.57 111.60 2uva h LYS 2024Ca -0.02 0.00 -0.67 0.00 -2.18 0.00 0.00 60.65 57.78 2uva h LYS 2024Cb 1.27 0.00 -0.11 0.00 -1.58 0.00 0.00 32.23 31.82 2uva h LYS 2024CO 0.13 0.48 -0.53 0.42 -1.08 0.00 0.00 179.45 178.87 2uva s ILE 2025N -2.67 5.06 -0.13 1.86 1.01 0.33 -4.84 121.20 121.82 2uva s ILE 2025Ca -0.04 0.04 -0.00 0.00 0.00 0.00 0.00 60.65 60.65 2uva s ILE 2025Cb 0.08 -3.19 -0.02 0.00 0.01 0.00 0.00 42.46 39.34 2uva s ILE 2025CO 0.82 0.59 -0.13 0.21 0.00 0.00 0.00 174.94 176.44 2uva s ASN 2026N -0.80 4.04 0.20 3.58 3.84 -1.26 -4.72 114.94 119.83 2uva s ASN 2026Ca 0.13 -0.31 -0.14 0.00 0.21 0.00 0.00 52.86 52.75 2uva s ASN 2026Cb -0.12 -1.59 0.22 0.00 -0.55 0.00 0.00 41.25 39.22 2uva s ASN 2026CO 0.03 0.17 1.63 0.11 -2.79 0.00 0.00 177.10 176.26 2uva h LYS 2027N 6.64 0.01 -0.76 0.43 1.57 -1.97 -1.85 116.57 120.65 2uva h LYS 2027Ca -0.27 -0.00 0.17 0.00 -1.87 0.00 0.00 60.65 58.69 2uva h LYS 2027Cb 1.21 -0.00 -0.12 0.00 0.08 0.00 0.00 32.23 33.40 2uva h LYS 2027CO 0.56 0.01 0.13 1.15 -0.57 0.00 0.00 179.45 180.72 2uva h THR 2028N 0.01 0.43 0.00 -0.16 2.02 -1.96 -0.97 112.91 112.29 2uva h THR 2028Ca 0.29 -0.07 0.00 0.00 0.77 0.00 0.00 66.41 67.40 2uva h THR 2028Cb 0.45 0.21 0.00 0.00 -1.74 0.00 0.00 68.15 67.07 2uva h THR 2028CO -0.61 0.04 0.00 0.74 0.37 0.00 0.00 175.52 176.06 2uva h THR 2029N 0.20 0.00 -3.36 3.16 2.02 -1.52 -3.44 112.91 109.96 2uva h THR 2029Ca 0.43 -0.17 -0.56 0.00 0.77 0.00 0.00 66.41 66.89 2uva h THR 2029Cb 0.77 1.17 -0.05 0.00 -1.74 0.00 0.00 68.15 68.30 2uva h THR 2029CO -0.58 0.00 0.06 -0.63 0.37 0.00 0.00 175.52 174.74 2uva s ILE 2030N -3.98 4.81 -0.32 3.11 1.01 -0.37 -4.80 121.20 120.65 2uva s ILE 2030Ca -0.03 1.42 -0.12 0.00 0.00 0.00 0.00 60.65 61.92 2uva s ILE 2030Cb 0.12 -4.01 -0.02 0.00 0.01 0.00 0.00 42.46 38.56 2uva s ILE 2030CO 0.45 0.40 0.21 -1.81 0.00 0.00 0.00 174.94 174.20 2uva s ASP 2031N -0.20 5.89 0.17 3.58 1.01 -1.26 -4.96 116.67 120.89 2uva s ASP 2031Ca 0.34 -0.41 -0.14 0.00 0.71 0.00 0.00 52.55 53.05 2uva s ASP 2031Cb -0.19 -2.09 0.12 0.00 1.01 0.00 0.00 42.92 41.77 2uva s ASP 2031CO 0.20 -0.20 1.75 -0.65 0.21 0.00 0.00 175.17 176.47 2uva h PRO 2032N 8.43 0.31 -1.58 8.23 0.11 -1.97 -2.85 132.00 142.69 2uva h PRO 2032Ca -0.32 -0.02 0.46 0.00 0.11 0.00 0.00 66.00 66.24 2uva h PRO 2032Cb 1.16 -0.07 -0.08 0.00 0.11 0.00 0.00 31.00 32.12 2uva h PRO 2032CO 0.62 0.21 1.12 0.66 -0.21 0.00 0.00 178.00 180.39 2uva h SER 2033N 0.32 0.05 0.03 -2.05 4.64 -1.98 0.42 113.55 114.97 2uva h SER 2033Ca 0.21 0.02 -0.17 0.00 -0.47 0.00 0.00 61.79 61.37 2uva h SER 2033Cb 0.20 0.02 0.02 0.00 -0.31 0.00 0.00 62.40 62.32 2uva h SER 2033CO -0.21 -0.02 -0.69 0.11 -0.87 0.00 0.00 176.83 175.14 2uva h LYS 2034N 0.03 0.42 -0.01 4.77 1.57 -1.92 -3.32 116.57 118.10 2uva h LYS 2034Ca 0.78 -0.49 0.00 0.00 -1.87 0.00 0.00 60.65 59.07 2uva h LYS 2034Cb 3.00 0.15 0.00 0.00 0.08 0.00 0.00 32.23 35.46 2uva h LYS 2034CO -0.07 1.15 -0.48 1.47 -0.57 0.00 0.00 179.45 180.95 2uva n LEU 2035N -4.16 1.59 -0.35 2.94 -0.00 -0.73 -4.45 117.00 111.84 2uva n LEU 2035Ca -0.11 -0.57 0.27 0.00 -0.00 0.00 0.00 56.01 55.60 2uva n LEU 2035Cb 0.72 -0.04 0.52 0.00 -0.00 0.00 0.00 43.42 44.62 2uva n LEU 2035CO 0.48 0.30 1.13 0.40 -0.00 0.00 0.00 177.39 179.70 2uva h ILE 2036N 1.75 0.23 0.00 1.47 2.04 -1.05 -3.08 117.51 118.86 2uva h ILE 2036Ca 0.00 -0.08 0.00 0.00 1.00 0.00 0.00 64.86 65.78 2uva h ILE 2036Cb 0.65 -0.03 0.00 0.00 -0.74 0.00 0.00 36.82 36.71 2uva h ILE 2036CO 0.00 0.04 -0.20 0.61 0.00 0.00 0.00 178.15 178.60 2uva n GLY 2037N -1.32 0.38 0.02 5.37 0.00 -1.21 -4.01 105.19 104.42 2uva n GLY 2037Ca 0.33 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.36 2uva n GLY 2037CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2uva n LYS 2038N 0.00 1.51 -3.40 1.61 4.76 -1.17 -4.80 118.16 116.68 2uva n LYS 2038Ca 0.00 -0.04 -0.39 0.00 -2.87 0.00 0.00 58.31 55.02 2uva n LYS 2038Cb 0.58 -1.18 -0.09 0.00 -1.84 0.00 0.00 35.03 32.51 2uva n LYS 2038CO 0.00 0.00 0.00 -0.47 -1.37 0.00 0.00 177.40 175.56 2uva s TYR 2039N -2.34 3.29 -0.41 2.13 6.04 -1.24 -1.95 117.35 122.87 2uva s TYR 2039Ca -0.03 0.46 -0.10 0.00 0.04 0.00 0.00 57.07 57.44 2uva s TYR 2039Cb 0.03 -2.54 0.06 0.00 -1.04 0.00 0.00 41.96 38.48 2uva s TYR 2039CO 0.29 -0.15 0.25 0.42 -1.54 0.00 0.00 175.55 174.83 2uva s ILE 2040N 1.78 4.34 0.00 3.14 1.01 -0.95 0.14 121.20 130.67 2uva s ILE 2040Ca 0.16 -1.24 0.00 0.00 0.00 0.00 0.00 60.65 59.57 2uva s ILE 2040Cb -0.15 -3.59 0.00 0.00 0.01 0.00 0.00 42.46 38.73 2uva s ILE 2040CO 0.09 -0.43 0.00 -2.65 0.00 0.00 0.00 174.94 171.95 2uva n PRO 2041N 4.95 -1.05 -0.00 2.79 -0.02 -1.25 -4.38 135.00 136.04 2uva n PRO 2041Ca -0.11 0.00 0.03 0.00 -2.02 0.00 0.00 63.50 61.40 2uva n PRO 2041Cb 0.44 0.00 -0.04 0.00 -0.02 0.00 0.00 33.50 33.87 2uva n PRO 2041CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2uva n ASN 2042N -2.48 2.23 -0.01 2.55 4.13 -1.26 -4.57 115.26 115.86 2uva n ASN 2042Ca 0.00 -0.26 -0.22 0.00 1.68 0.00 0.00 54.58 55.78 2uva n ASN 2042Cb 0.00 1.18 -0.14 0.00 -1.54 0.00 0.00 39.78 39.28 2uva n ASN 2042CO 0.00 0.00 0.00 0.58 0.28 0.00 0.00 177.26 178.12 2uva h VAL 2043N 0.00 0.70 -3.40 2.41 2.07 -2.00 -3.43 116.25 112.60 2uva h VAL 2043Ca 0.00 -2.32 -0.73 0.00 0.82 0.00 0.00 66.70 64.47 2uva h VAL 2043Cb 0.23 2.47 -0.30 0.00 -1.52 0.00 0.00 31.29 32.18 2uva h VAL 2043CO 0.00 0.79 -0.31 -0.89 0.02 0.00 0.00 177.57 177.18 2uva s THR 2044N -2.52 4.39 -2.00 2.57 2.01 -1.26 -4.95 115.64 113.88 2uva s THR 2044Ca -0.23 -2.06 0.06 0.00 0.31 0.00 0.00 61.69 59.77 2uva s THR 2044Cb 0.06 -3.85 0.18 0.00 0.01 0.00 0.00 72.50 68.90 2uva s THR 2044CO 0.74 -0.84 0.84 0.00 -0.69 0.00 0.00 174.62 174.67 2uva n ALA 2045N 4.56 1.74 -2.58 7.40 0.00 -1.26 -3.74 120.51 126.63 2uva n ALA 2045Ca -0.02 -0.04 -0.30 0.00 0.00 0.00 0.00 53.44 53.07 2uva n ALA 2045Cb 0.41 -1.10 -0.10 0.00 0.00 0.00 0.00 19.45 18.66 2uva n ALA 2045CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2uva s LYS 2046N -2.00 2.21 -0.37 0.00 1.02 -1.26 -4.95 119.74 114.38 2uva s LYS 2046Ca 0.09 -0.97 -0.44 0.00 0.02 0.00 0.00 55.97 54.68 2uva s LYS 2046Cb 0.04 -2.34 -0.19 0.00 -0.52 0.00 0.00 37.83 34.82 2uva s LYS 2046CO 0.07 0.53 1.42 -2.30 -0.92 0.00 0.00 175.35 174.15 2uva n PRO 2047N 0.88 0.00 -1.44 -1.68 -0.02 -1.26 -4.66 135.00 126.82 2uva n PRO 2047Ca -0.14 0.00 -0.55 0.00 -2.02 0.00 0.00 63.50 60.79 2uva n PRO 2047Cb 0.52 -1.44 -0.09 0.00 -0.02 0.00 0.00 33.50 32.48 2uva n PRO 2047CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 2uva n PHE 2048N 3.30 1.55 -4.42 6.00 7.35 0.12 -4.92 117.46 126.44 2uva n PHE 2048Ca 0.27 0.51 -0.26 0.00 -0.76 0.00 0.00 57.45 57.21 2uva n PHE 2048Cb -0.03 -2.43 -0.12 0.00 0.35 0.00 0.00 39.48 37.25 2uva n PHE 2048CO 0.00 0.00 0.00 -2.00 -0.76 0.00 0.00 176.76 174.00 2uva s GLU 2049N 5.56 1.52 0.01 -4.13 2.56 -1.26 -3.29 118.70 119.67 2uva s GLU 2049Ca 1.11 -1.54 0.23 0.00 0.00 0.00 0.00 54.97 54.77 2uva s GLU 2049Cb -1.12 -1.81 0.19 0.00 2.00 0.00 0.00 34.13 33.39 2uva s GLU 2049CO 0.59 0.38 1.18 1.51 -0.56 0.00 0.00 175.26 178.36 2uva n ILE 2050N 0.18 0.02 -1.11 -3.70 3.06 -1.26 -4.85 119.36 111.70 2uva n ILE 2050Ca -0.12 -0.03 -0.35 0.00 -2.50 0.00 0.00 62.75 59.75 2uva n ILE 2050Cb 0.56 0.51 0.08 0.00 0.54 0.00 0.00 39.64 41.34 2uva n ILE 2050CO 0.00 0.00 0.00 -1.54 -2.50 0.00 0.00 176.55 172.51 2uva n SER 2051N -1.56 -1.69 0.26 9.51 3.41 -1.26 -4.87 113.62 117.42 2uva n SER 2051Ca 0.05 0.50 0.13 0.00 -0.26 0.00 0.00 58.87 59.28 2uva n SER 2051Cb 0.35 -1.19 0.66 0.00 -0.26 0.00 0.00 64.21 63.76 2uva n SER 2051CO 0.00 0.00 0.00 0.07 -0.16 0.00 0.00 175.04 174.95 2uva h LYS 2052N -0.75 0.00 0.00 4.33 -0.00 -2.00 -2.12 116.57 116.03 2uva h LYS 2052Ca -0.45 0.00 -0.10 0.00 -0.00 0.00 0.00 60.65 60.10 2uva h LYS 2052Cb 1.33 0.00 -0.01 0.00 -0.00 0.00 0.00 32.23 33.54 2uva h LYS 2052CO 0.39 0.13 -0.47 0.93 -0.00 0.00 0.00 179.45 180.43 2uva h GLU 2053N 0.00 0.00 -0.32 0.07 5.08 -1.98 -3.16 114.58 114.28 2uva h GLU 2053Ca -0.00 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.22 2uva h GLU 2053Cb 0.50 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.74 2uva h GLU 2053CO 0.02 0.47 -0.35 -0.92 -1.00 0.00 0.00 179.01 177.23 2uva h TYR 2054N 0.00 0.96 0.00 4.33 3.20 -1.71 -2.64 116.97 121.11 2uva h TYR 2054Ca -0.00 -0.30 -0.00 0.00 3.14 0.00 0.00 58.73 61.57 2uva h TYR 2054Cb 1.14 -0.20 -0.00 0.00 1.54 0.00 0.00 36.73 39.21 2uva h TYR 2054CO 0.00 1.08 -0.01 0.74 -1.64 0.00 0.00 178.16 178.33 2uva h PHE 2055N 0.56 0.00 0.11 -3.82 0.05 -1.51 0.23 116.94 112.56 2uva h PHE 2055Ca 0.05 0.00 -0.29 0.00 3.82 0.00 0.00 57.97 61.55 2uva h PHE 2055Cb 0.93 0.00 -0.01 0.00 2.00 0.00 0.00 35.95 38.88 2uva h PHE 2055CO 0.07 0.01 -1.43 0.93 -0.18 0.00 0.00 178.31 177.71 2uva h GLU 2056N 0.00 0.23 0.00 1.51 5.08 -1.52 0.17 114.58 120.04 2uva h GLU 2056Ca -0.00 -0.39 -0.12 0.00 -1.00 0.00 0.00 59.36 57.86 2uva h GLU 2056Cb 0.06 0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.44 2uva h GLU 2056CO 0.00 1.10 -0.55 0.93 -1.00 0.00 0.00 179.01 179.49 2uva h GLU 2057N 0.06 0.00 0.05 2.33 5.08 -0.71 -1.10 114.58 120.29 2uva h GLU 2057Ca -0.20 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.06 2uva h GLU 2057Cb 1.99 0.00 0.01 0.00 0.50 0.00 0.00 28.75 31.25 2uva h GLU 2057CO 0.17 0.55 -0.41 0.28 -1.00 0.00 0.00 179.01 178.60 2uva h VAL 2058N 0.00 1.60 -0.35 3.13 2.07 -0.65 -3.21 116.25 118.84 2uva h VAL 2058Ca -0.01 -2.29 -0.07 0.00 0.82 0.00 0.00 66.70 65.16 2uva h VAL 2058Cb 1.02 3.10 -0.02 0.00 -1.52 0.00 0.00 31.29 33.87 2uva h VAL 2058CO 0.07 0.63 -0.06 -0.74 0.02 0.00 0.00 177.57 177.49 2uva h HIS 2059N -0.57 0.62 -0.96 1.57 6.17 -0.68 0.29 115.15 121.58 2uva h HIS 2059Ca -0.07 -0.08 0.02 0.00 0.71 0.00 0.00 60.37 60.96 2uva h HIS 2059Cb 1.26 -0.17 -0.05 0.00 2.52 0.00 0.00 27.41 30.97 2uva h HIS 2059CO 0.21 0.63 0.63 -0.09 0.71 0.00 0.00 177.93 180.03 2uva h ARG 2060N 0.54 1.21 0.08 5.26 2.43 -1.31 -1.27 114.38 121.33 2uva h ARG 2060Ca 0.11 -0.07 -0.30 0.00 -0.81 0.00 0.00 59.98 58.90 2uva h ARG 2060Cb 0.44 -0.27 -0.02 0.00 -0.42 0.00 0.00 29.97 29.70 2uva h ARG 2060CO 0.02 0.80 -1.61 -0.07 -1.51 0.00 0.00 179.97 177.61 2uva h LEU 2061N 1.25 0.27 0.00 3.80 3.38 -1.44 -3.44 115.31 119.13 2uva h LEU 2061Ca 0.37 -0.44 -0.19 0.00 0.09 0.00 0.00 57.88 57.72 2uva h LEU 2061Cb -0.06 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.57 2uva h LEU 2061CO -0.10 1.37 -1.53 0.41 0.09 0.00 0.00 178.44 178.68 2uva n THR 2062N -3.35 0.83 -1.82 0.22 -1.04 0.97 -5.07 114.28 105.02 2uva n THR 2062Ca -0.18 -0.11 0.00 0.00 -2.04 0.00 0.00 64.05 61.73 2uva n THR 2062Cb 1.04 -1.72 0.00 0.00 -1.82 0.00 0.00 70.33 67.82 2uva n THR 2062CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2uva n GLY 2063N 2.23 0.58 3.62 3.41 0.00 -0.49 -5.01 105.19 109.54 2uva n GLY 2063Ca -0.23 -0.45 -0.43 0.00 0.00 0.00 0.00 46.02 44.91 2uva n GLY 2063CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2uva s SER 2064N -2.75 6.53 0.61 1.61 1.04 -1.26 -4.89 113.70 114.59 2uva s SER 2064Ca 0.00 1.25 0.34 0.00 0.48 0.00 0.00 55.95 58.02 2uva s SER 2064Cb 0.00 -2.54 2.00 0.00 0.10 0.00 0.00 66.02 65.59 2uva s SER 2064CO 0.00 -1.20 2.29 -0.65 0.98 0.00 0.00 173.24 174.67 2uva h PRO 2065N 9.96 0.00 0.00 4.02 0.11 -2.00 0.28 132.00 144.37 2uva h PRO 2065Ca -0.28 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.73 2uva h PRO 2065Cb 1.11 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 2uva h PRO 2065CO 1.03 0.00 -0.44 0.87 -0.21 0.00 0.00 178.00 179.26 2uva h LYS 2066N 0.00 0.00 0.21 1.05 1.57 -1.98 -2.94 116.57 114.47 2uva h LYS 2066Ca -0.00 0.00 -0.28 0.00 -1.87 0.00 0.00 60.65 58.50 2uva h LYS 2066Cb 0.01 0.00 0.03 0.00 0.08 0.00 0.00 32.23 32.35 2uva h LYS 2066CO 0.00 0.44 -1.26 0.82 -0.57 0.00 0.00 179.45 178.87 2uva h ILE 2067N 0.00 1.33 -0.59 1.86 2.04 -0.90 -2.03 117.51 119.23 2uva h ILE 2067Ca -0.00 -2.62 -0.01 0.00 1.00 0.00 0.00 64.86 63.23 2uva h ILE 2067Cb 1.19 3.08 -0.03 0.00 -0.74 0.00 0.00 36.82 40.31 2uva h ILE 2067CO 0.06 0.78 0.34 0.00 0.00 0.00 0.00 178.15 179.32 2uva h ALA 2068N 0.12 0.76 -0.21 1.87 0.00 -1.27 0.46 119.26 120.98 2uva h ALA 2068Ca -0.23 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.53 2uva h ALA 2068Cb 1.97 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 19.51 2uva h ALA 2068CO 0.22 0.26 -0.17 -0.97 0.00 0.00 0.00 179.25 178.59 2uva h ASN 2069N 0.80 0.34 0.35 0.00 -1.24 -1.63 -1.14 115.58 113.07 2uva h ASN 2069Ca 0.21 -0.09 0.00 0.00 0.71 0.00 0.00 56.30 57.13 2uva h ASN 2069Cb 0.01 -0.09 0.00 0.00 0.73 0.00 0.00 38.32 38.97 2uva h ASN 2069CO -0.04 0.53 -0.59 -0.38 -1.29 0.00 0.00 177.43 175.67 2uva n ILE 2070N -4.21 0.00 -0.01 2.57 5.41 -0.76 -3.16 119.36 119.21 2uva n ILE 2070Ca -0.00 -0.02 -0.10 0.00 1.00 0.00 0.00 62.75 63.63 2uva n ILE 2070Cb 0.32 0.46 -0.14 0.00 -0.71 0.00 0.00 39.64 39.57 2uva n ILE 2070CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 2uva h LEU 2071N 0.18 0.06 -0.44 1.39 3.38 0.07 -3.32 115.31 116.63 2uva h LEU 2071Ca 0.00 -0.12 -0.11 0.00 0.09 0.00 0.00 57.88 57.74 2uva h LEU 2071Cb 0.51 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 2uva h LEU 2071CO 0.00 1.11 -0.14 0.00 0.09 0.00 0.00 178.44 179.49 2uva h ALA 2072N 0.89 0.61 0.00 1.53 0.00 -1.29 -2.95 119.26 118.05 2uva h ALA 2072Ca -0.27 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.29 2uva h ALA 2072Cb 1.99 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.63 2uva h ALA 2072CO 0.09 0.53 0.00 0.09 0.00 0.00 0.00 179.25 179.96 2uva n ASN 2073N -4.24 0.00 -0.55 0.00 4.13 -1.19 -4.61 115.26 108.80 2uva n ASN 2073Ca -0.01 -1.04 0.44 0.00 1.68 0.00 0.00 54.58 55.66 2uva n ASN 2073Cb 0.40 0.00 0.74 0.00 -1.54 0.00 0.00 39.78 39.38 2uva n ASN 2073CO 0.00 0.00 0.00 -0.25 0.28 0.00 0.00 177.26 177.29 2uva h TRP 2074N 0.00 0.26 0.17 3.10 2.91 -1.61 0.64 115.95 121.42 2uva h TRP 2074Ca 0.00 0.01 -0.01 0.00 1.13 0.00 0.00 58.89 60.02 2uva h TRP 2074Cb 0.00 -0.06 0.00 0.00 -0.51 0.00 0.00 29.16 28.59 2uva h TRP 2074CO 0.00 -0.12 -0.08 -0.44 -1.03 0.00 0.00 178.44 176.77 2uva h ASP 2075N 0.03 -0.20 -0.83 2.65 3.32 -1.87 -2.75 116.42 116.76 2uva h ASP 2075Ca 0.86 -0.01 0.24 0.00 0.02 0.00 0.00 57.03 58.14 2uva h ASP 2075Cb 3.10 0.05 -0.03 0.00 0.22 0.00 0.00 39.33 42.67 2uva h ASP 2075CO -0.23 -0.12 1.04 1.17 -1.72 0.00 0.00 179.24 179.38 2uva n LYS 2076N -5.18 0.01 -0.26 3.56 3.00 0.22 -0.79 118.16 118.72 2uva n LYS 2076Ca -0.09 0.87 0.12 0.00 -0.00 0.00 0.00 58.31 59.21 2uva n LYS 2076Cb 0.12 -2.18 0.27 0.00 0.00 0.00 0.00 35.03 33.24 2uva n LYS 2076CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 2uva n TYR 2077N -2.91 0.69 0.00 5.64 4.02 -1.04 -5.19 117.16 118.37 2uva n TYR 2077Ca 0.19 -0.34 0.00 0.00 -0.01 0.00 0.00 57.90 57.73 2uva n TYR 2077Cb 1.29 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 40.61 2uva n TYR 2077CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 176.86 173.94