#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cwu s SER 10 N 0.00 6.71 0.00 0.00 0.15 -1.26 -4.88 113.70 114.42 2cwu s SER 10 Ca 0.00 2.44 0.16 0.00 0.70 0.00 0.00 55.95 59.25 2cwu s SER 10 Cb 0.00 -2.58 0.95 0.00 -1.71 0.00 0.00 66.02 62.67 2cwu s SER 10 CO 0.00 -0.75 1.40 -0.81 1.20 0.00 0.00 173.24 174.28 2cwu n PRO 11 N 4.27 0.67 -0.19 5.44 -0.04 -1.26 -2.11 135.00 141.78 2cwu n PRO 11 Ca 0.13 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.64 2cwu n PRO 11 Cb 0.41 -1.37 0.15 0.00 -0.04 0.00 0.00 33.50 32.65 2cwu n PRO 11 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2cwu n PHE 12 N -0.87 0.46 -1.58 0.54 3.72 -1.26 -4.77 117.46 113.71 2cwu n PHE 12 Ca 0.12 -0.56 -0.34 0.00 -0.05 0.00 0.00 57.45 56.62 2cwu n PHE 12 Cb 0.05 -0.07 0.08 0.00 -0.94 0.00 0.00 39.48 38.60 2cwu n PHE 12 CO 0.00 0.00 0.00 -0.98 -0.05 0.00 0.00 176.76 175.73 2cwu s ARG 13 N -1.29 2.38 0.61 -1.08 1.70 -0.90 -4.81 118.95 115.57 2cwu s ARG 13 Ca 0.23 1.69 -0.18 0.00 -0.47 0.00 0.00 55.73 57.01 2cwu s ARG 13 Cb 0.14 -1.87 -0.03 0.00 -0.57 0.00 0.00 34.95 32.62 2cwu s ARG 13 CO 0.13 -1.63 1.18 -0.51 -1.08 0.00 0.00 175.30 173.38 2cwu s LEU 14 N -4.95 3.61 0.40 -1.89 1.43 -1.26 -4.95 118.68 111.07 2cwu s LEU 14 Ca 0.73 2.29 -0.26 0.00 -1.03 0.00 0.00 54.13 55.85 2cwu s LEU 14 Cb -0.28 -4.59 -0.09 0.00 0.03 0.00 0.00 46.19 41.27 2cwu s LEU 14 CO 0.43 -1.59 1.38 0.00 0.23 0.00 0.00 176.35 176.79 2cwu s ALA 15 N -1.78 3.34 0.30 4.21 0.00 -1.26 -5.01 121.76 121.56 2cwu s ALA 15 Ca 0.75 1.37 0.07 0.00 0.00 0.00 0.00 51.96 54.15 2cwu s ALA 15 Cb -0.27 -3.54 -0.03 0.00 0.00 0.00 0.00 23.12 19.28 2cwu s ALA 15 CO 0.34 -0.96 0.31 -1.54 0.00 0.00 0.00 175.76 173.91 2cwu s SER 16 N -0.52 5.64 0.26 0.00 1.04 -1.26 -4.42 113.70 114.43 2cwu s SER 16 Ca 0.56 -0.28 -0.04 0.00 0.48 0.00 0.00 55.95 56.67 2cwu s SER 16 Cb -0.42 -1.28 0.34 0.00 0.10 0.00 0.00 66.02 64.76 2cwu s SER 16 CO 0.54 -0.23 1.90 0.00 0.98 0.00 0.00 173.24 176.43 2cwu h ALA 17 N 1.24 1.34 -0.69 5.32 0.00 -1.95 -2.15 119.26 122.37 2cwu h ALA 17 Ca -0.47 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.41 2cwu h ALA 17 Cb 1.25 -0.35 -0.04 0.00 0.00 0.00 0.00 17.79 18.65 2cwu h ALA 17 CO 0.58 0.54 0.45 0.78 0.00 0.00 0.00 179.25 181.60 2cwu h GLY 18 N 1.26 0.98 1.07 0.00 0.00 -1.99 -1.49 103.07 102.90 2cwu h GLY 18 Ca 0.40 -0.35 -0.03 0.00 0.00 0.00 0.00 47.33 47.35 2cwu h GLY 18 CO -0.13 0.33 0.41 0.83 0.00 0.00 0.00 176.54 177.97 2cwu h GLU 19 N 0.91 1.20 -0.54 4.80 5.08 -1.79 0.33 114.58 124.56 2cwu h GLU 19 Ca 0.26 -0.17 -0.09 0.00 -1.00 0.00 0.00 59.36 58.36 2cwu h GLU 19 Cb -0.06 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 28.95 2cwu h GLU 19 CO -0.07 0.92 -0.02 0.82 -1.00 0.00 0.00 179.01 179.65 2cwu h ILE 20 N 1.19 1.27 -0.44 3.13 2.04 -1.13 -0.65 117.51 122.92 2cwu h ILE 20 Ca 0.29 -1.15 -0.06 0.00 1.00 0.00 0.00 64.86 64.94 2cwu h ILE 20 Cb 0.11 0.92 -0.02 0.00 -0.74 0.00 0.00 36.82 37.08 2cwu h ILE 20 CO -0.04 0.41 0.01 0.28 0.00 0.00 0.00 178.15 178.81 2cwu h SER 21 N 0.85 0.67 -0.61 1.72 0.02 -0.86 -1.83 113.55 113.51 2cwu h SER 21 Ca 0.15 -0.15 -0.08 0.00 -0.84 0.00 0.00 61.79 60.87 2cwu h SER 21 Cb 0.57 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.91 2cwu h SER 21 CO 0.03 0.74 0.06 -0.08 -1.14 0.00 0.00 176.83 176.45 2cwu h GLU 22 N 0.67 1.04 -0.49 3.45 4.57 -0.50 -0.43 114.58 122.88 2cwu h GLU 22 Ca 0.14 -0.30 -0.02 0.00 -1.18 0.00 0.00 59.36 58.00 2cwu h GLU 22 Cb 0.41 -0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 28.86 2cwu h GLU 22 CO 0.02 0.99 0.23 0.28 -1.18 0.00 0.00 179.01 179.34 2cwu h VAL 23 N 0.94 1.20 -0.52 0.32 2.07 -0.74 -0.06 116.25 119.46 2cwu h VAL 23 Ca 0.18 -0.57 0.04 0.00 0.82 0.00 0.00 66.70 67.17 2cwu h VAL 23 Cb 0.48 0.66 -0.04 0.00 -1.52 0.00 0.00 31.29 30.86 2cwu h VAL 23 CO 0.02 0.22 0.28 -0.61 0.02 0.00 0.00 177.57 177.50 2cwu h GLN 24 N 0.65 0.52 -0.43 1.57 4.15 -1.01 -0.17 115.11 120.39 2cwu h GLN 24 Ca 0.17 -0.03 -0.03 0.00 0.77 0.00 0.00 58.65 59.52 2cwu h GLN 24 Cb 0.14 -0.12 -0.02 0.00 0.21 0.00 0.00 27.48 27.69 2cwu h GLN 24 CO -0.02 0.35 0.13 0.78 -1.93 0.00 0.00 178.83 178.14 2cwu h GLY 25 N 0.54 0.72 0.98 2.39 0.00 -0.64 -0.33 103.07 106.73 2cwu h GLY 25 Ca 0.23 -0.43 -0.02 0.00 0.00 0.00 0.00 47.33 47.11 2cwu h GLY 25 CO -0.15 0.40 0.25 -2.22 0.00 0.00 0.00 176.54 174.83 2cwu h ILE 26 N 0.55 1.20 -0.53 2.60 2.04 -0.67 0.13 117.51 122.82 2cwu h ILE 26 Ca 0.14 -0.56 -0.04 0.00 1.00 0.00 0.00 64.86 65.40 2cwu h ILE 26 Cb 0.27 0.60 -0.02 0.00 -0.74 0.00 0.00 36.82 36.92 2cwu h ILE 26 CO -0.00 0.22 0.17 -0.07 0.00 0.00 0.00 178.15 178.47 2cwu h LEU 27 N 0.71 0.77 -0.15 1.44 3.38 -0.91 -1.13 115.31 119.42 2cwu h LEU 27 Ca 0.18 -0.20 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 2cwu h LEU 27 Cb 0.12 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 2cwu h LEU 27 CO -0.02 0.77 0.08 0.03 0.09 0.00 0.00 178.44 179.39 2cwu h ARG 28 N 0.73 0.21 -0.57 1.13 3.08 -0.70 -0.30 114.38 117.96 2cwu h ARG 28 Ca 0.17 -0.02 0.01 0.00 0.07 0.00 0.00 59.98 60.21 2cwu h ARG 28 Cb 0.27 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.25 2cwu h ARG 28 CO -0.01 0.21 0.38 1.15 -1.07 0.00 0.00 179.97 180.63 2cwu h THR 29 N 0.14 1.12 0.00 2.04 2.02 -0.60 -0.67 112.91 116.97 2cwu h THR 29 Ca 0.05 -0.25 0.00 0.00 0.77 0.00 0.00 66.41 66.98 2cwu h THR 29 Cb 0.06 0.32 0.00 0.00 -1.74 0.00 0.00 68.15 66.79 2cwu h THR 29 CO -0.01 0.14 0.00 0.00 0.37 0.00 0.00 175.52 176.02 2cwu n ALA 30 N -2.45 2.45 -1.26 6.16 0.00 -0.44 -4.88 120.51 120.09 2cwu n ALA 30 Ca 0.06 -0.15 -0.04 0.00 0.00 0.00 0.00 53.44 53.31 2cwu n ALA 30 Cb 0.07 -1.46 -0.01 0.00 0.00 0.00 0.00 19.45 18.05 2cwu n ALA 30 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2cwu n GLY 31 N 0.98 0.59 0.82 0.00 0.00 -0.26 -4.92 105.19 102.40 2cwu n GLY 31 Ca 0.16 -0.88 0.10 0.00 0.00 0.00 0.00 46.02 45.40 2cwu n GLY 31 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2cwu n LEU 32 N -0.43 2.72 -3.16 0.99 4.77 -0.16 -4.66 117.00 117.08 2cwu n LEU 32 Ca -0.04 -1.01 -0.20 0.00 -0.03 0.00 0.00 56.01 54.74 2cwu n LEU 32 Cb 0.19 -0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.24 2cwu n LEU 32 CO 0.05 0.47 -0.18 -0.11 -1.33 0.00 0.00 177.39 176.29 2cwu n LEU 33 N 1.16 1.33 0.00 2.23 7.94 -1.16 -4.90 117.00 123.59 2cwu n LEU 33 Ca 0.12 -5.09 -0.25 0.00 -1.11 0.00 0.00 56.01 49.68 2cwu n LEU 33 Cb 0.51 0.52 0.19 0.00 0.53 0.00 0.00 43.42 45.18 2cwu n LEU 33 CO 0.13 2.28 0.61 0.61 -1.11 0.00 0.00 177.39 179.91 2cwu n GLY 34 N 0.28 -2.14 0.33 -3.96 0.00 -1.26 -4.72 105.19 93.73 2cwu n GLY 34 Ca 0.26 -1.59 0.22 0.00 0.00 0.00 0.00 46.02 44.91 2cwu n GLY 34 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cwu h PRO 35 N 0.00 0.00 -0.01 1.61 0.13 -2.01 -1.60 132.00 130.11 2cwu h PRO 35 Ca -0.35 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 2cwu h PRO 35 Cb 1.02 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.15 2cwu h PRO 35 CO 0.24 0.00 -0.23 -0.85 -0.23 0.00 0.00 178.00 176.93 2cwu n GLU 36 N -3.04 1.12 -3.39 0.86 0.00 -1.26 -4.92 120.64 110.00 2cwu n GLU 36 Ca -0.03 -0.72 -0.30 0.00 0.00 0.00 0.00 57.16 56.11 2cwu n GLU 36 Cb 0.09 -1.49 -0.04 0.00 0.00 0.00 0.00 31.44 30.00 2cwu n GLU 36 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.13 177.28 2cwu s LYS 37 N -2.38 3.68 -0.02 3.44 -0.14 -0.61 -0.86 119.74 122.86 2cwu s LYS 37 Ca 0.26 0.08 -0.03 0.00 -1.36 0.00 0.00 55.97 54.92 2cwu s LYS 37 Cb 0.19 -2.67 0.00 0.00 -1.68 0.00 0.00 37.83 33.68 2cwu s LYS 37 CO 0.48 0.27 0.08 1.03 -0.76 0.00 0.00 175.35 176.45 2cwu s ARG 38 N -3.24 0.21 -0.45 1.68 1.81 0.21 -4.89 118.95 114.28 2cwu s ARG 38 Ca 0.45 -0.08 -0.25 0.00 -1.72 0.00 0.00 55.73 54.13 2cwu s ARG 38 Cb -0.11 0.09 0.03 0.00 -0.45 0.00 0.00 34.95 34.51 2cwu s ARG 38 CO 0.27 -0.04 0.88 0.42 -0.68 0.00 0.00 175.30 176.15 2cwu s ILE 39 N -0.45 4.54 -0.15 1.52 1.09 0.34 -0.10 121.20 127.98 2cwu s ILE 39 Ca -0.05 0.67 0.18 0.00 -1.10 0.00 0.00 60.65 60.35 2cwu s ILE 39 Cb -0.03 -4.39 -0.07 0.00 -1.06 0.00 0.00 42.46 36.90 2cwu s ILE 39 CO 0.00 -0.78 0.97 0.00 -0.10 0.00 0.00 174.94 175.04 2cwu h ALA 40 N 9.01 0.64 -2.12 9.38 0.00 -1.22 -3.40 119.26 131.54 2cwu h ALA 40 Ca -0.24 -0.63 -0.05 0.00 0.00 0.00 0.00 54.91 53.99 2cwu h ALA 40 Cb 1.08 0.17 -0.22 0.00 0.00 0.00 0.00 17.79 18.83 2cwu h ALA 40 CO 1.00 0.70 0.07 -0.47 0.00 0.00 0.00 179.25 180.55 2cwu s TYR 41 N -3.01 -0.74 -0.17 0.00 5.04 -1.17 -4.74 117.35 112.56 2cwu s TYR 41 Ca -0.01 1.80 -0.08 0.00 -2.44 0.00 0.00 57.07 56.34 2cwu s TYR 41 Cb 0.09 0.26 0.07 0.00 0.35 0.00 0.00 41.96 42.72 2cwu s TYR 41 CO 0.80 -0.36 0.38 -1.17 -1.34 0.00 0.00 175.55 173.86 2cwu s LEU 42 N 0.39 -0.19 0.06 6.97 0.20 -1.26 -0.68 118.68 124.18 2cwu s LEU 42 Ca -0.00 0.85 -0.18 0.00 0.69 0.00 0.00 54.13 55.49 2cwu s LEU 42 Cb -0.05 1.23 0.04 0.00 -0.43 0.00 0.00 46.19 46.97 2cwu s LEU 42 CO 0.00 -0.20 0.41 -0.83 -0.29 0.00 0.00 176.35 175.44 2cwu s GLY 43 N 1.77 -0.28 0.28 7.98 0.00 -0.52 -4.58 107.32 111.98 2cwu s GLY 43 Ca -0.07 0.22 -0.28 0.00 0.00 0.00 0.00 44.72 44.60 2cwu s GLY 43 CO -0.12 -0.04 0.94 0.54 0.00 0.00 0.00 173.10 174.43 2cwu s VAL 44 N -2.82 4.15 -0.00 1.40 0.11 -1.26 -0.56 120.40 121.41 2cwu s VAL 44 Ca -0.03 1.95 -0.21 0.00 -2.93 0.00 0.00 61.98 60.76 2cwu s VAL 44 Cb -0.00 -4.16 -0.05 0.00 -1.53 0.00 0.00 36.38 30.64 2cwu s VAL 44 CO -0.05 0.31 0.61 -0.76 -3.33 0.00 0.00 175.10 171.88 2cwu s LEU 45 N -1.65 4.41 0.63 2.54 1.43 0.12 -4.84 118.68 121.32 2cwu s LEU 45 Ca 0.46 1.18 -0.16 0.00 -1.03 0.00 0.00 54.13 54.57 2cwu s LEU 45 Cb -0.22 -2.95 -0.01 0.00 0.03 0.00 0.00 46.19 43.04 2cwu s LEU 45 CO 0.27 0.09 1.13 -1.81 0.23 0.00 0.00 176.35 176.26 2cwu s ASP 46 N -0.14 5.18 0.50 2.29 1.01 -1.26 -4.61 116.67 119.65 2cwu s ASP 46 Ca 0.32 2.08 -0.22 0.00 0.71 0.00 0.00 52.55 55.44 2cwu s ASP 46 Cb -0.18 -2.56 -0.06 0.00 1.01 0.00 0.00 42.92 41.12 2cwu s ASP 46 CO 0.17 -1.58 1.21 -2.16 0.21 0.00 0.00 175.17 173.03 2cwu s PRO 47 N -3.86 3.49 0.90 8.23 0.04 -1.26 -5.00 135.00 137.54 2cwu s PRO 47 Ca 0.69 1.88 -0.11 0.00 0.04 0.00 0.00 61.00 63.50 2cwu s PRO 47 Cb -0.22 -2.29 0.13 0.00 0.04 0.00 0.00 34.50 32.16 2cwu s PRO 47 CO 0.38 -0.80 1.09 0.00 0.04 0.00 0.00 177.00 177.71 2cwu s ALA 48 N -1.51 1.51 0.52 8.56 0.00 -1.26 -4.98 121.76 124.60 2cwu s ALA 48 Ca 0.68 0.09 -0.21 0.00 0.00 0.00 0.00 51.96 52.51 2cwu s ALA 48 Cb -0.31 -3.25 -0.06 0.00 0.00 0.00 0.00 23.12 19.50 2cwu s ALA 48 CO 0.37 -2.42 1.23 1.03 0.00 0.00 0.00 175.76 175.98 2cwu s ARG 49 N -4.85 3.36 0.27 0.00 1.81 -1.26 -4.77 118.95 113.51 2cwu s ARG 49 Ca 0.64 1.92 0.00 0.00 -1.72 0.00 0.00 55.73 56.57 2cwu s ARG 49 Cb -0.19 -2.22 0.00 0.00 -0.45 0.00 0.00 34.95 32.09 2cwu s ARG 49 CO 0.58 -0.92 0.00 0.41 -0.68 0.00 0.00 175.30 174.68 2cwu n GLY 50 N 0.53 -3.86 3.09 -3.53 0.00 -1.26 -4.49 105.19 95.67 2cwu n GLY 50 Ca 0.10 -0.91 -0.42 0.00 0.00 0.00 0.00 46.02 44.79 2cwu n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2cwu n ALA 51 N -0.88 3.20 -1.00 4.61 0.00 -1.26 -4.75 120.51 120.43 2cwu n ALA 51 Ca 0.00 -3.15 0.00 0.00 0.00 0.00 0.00 53.44 50.29 2cwu n ALA 51 Cb 0.00 -3.59 0.00 0.00 0.00 0.00 0.00 19.45 15.86 2cwu n ALA 51 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2cwu n GLY 52 N 4.51 -1.56 3.61 0.00 0.00 -1.26 -4.73 105.19 105.76 2cwu n GLY 52 Ca 0.49 0.00 -0.51 0.00 0.00 0.00 0.00 46.02 46.00 2cwu n GLY 52 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2cwu n SER 53 N 0.00 1.99 -0.33 1.61 7.64 -1.26 -4.83 113.62 118.44 2cwu n SER 53 Ca 0.00 1.11 -0.01 0.00 1.01 0.00 0.00 58.87 60.98 2cwu n SER 53 Cb 0.00 -1.24 0.05 0.00 -1.01 0.00 0.00 64.21 62.01 2cwu n SER 53 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 2cwu h GLU 54 N 4.99 -0.03 -5.97 1.43 4.81 -2.01 -3.40 114.58 114.38 2cwu h GLU 54 Ca -0.47 0.00 -0.55 0.00 -0.13 0.00 0.00 59.36 58.21 2cwu h GLU 54 Cb 1.32 0.01 -0.07 0.00 0.63 0.00 0.00 28.75 30.64 2cwu h GLU 54 CO 0.81 -0.02 -0.44 0.00 -0.73 0.00 0.00 179.01 178.63 2cwu s ALA 55 N -6.02 3.84 -0.21 2.92 0.00 -1.26 -5.09 121.76 115.93 2cwu s ALA 55 Ca -0.14 -1.91 -0.28 0.00 0.00 0.00 0.00 51.96 49.62 2cwu s ALA 55 Cb 0.20 -0.60 0.00 0.00 0.00 0.00 0.00 23.12 22.73 2cwu s ALA 55 CO 0.72 -0.21 1.00 -1.83 0.00 0.00 0.00 175.76 175.44 2cwu s GLU 56 N -4.01 4.28 -0.32 0.00 4.04 -1.26 -5.01 118.70 116.41 2cwu s GLU 56 Ca 0.42 1.30 -0.15 0.00 0.04 0.00 0.00 54.97 56.58 2cwu s GLU 56 Cb 0.01 -3.62 -0.02 0.00 0.02 0.00 0.00 34.13 30.52 2cwu s GLU 56 CO 0.24 -0.56 0.36 0.34 -1.84 0.00 0.00 175.26 173.80 2cwu s ASP 57 N 1.20 6.19 -0.26 0.83 2.15 -1.26 -5.04 116.67 120.48 2cwu s ASP 57 Ca 0.43 -0.06 -0.29 0.00 0.43 0.00 0.00 52.55 53.07 2cwu s ASP 57 Cb -0.16 -2.20 0.01 0.00 -0.30 0.00 0.00 42.92 40.28 2cwu s ASP 57 CO 0.08 -0.28 1.04 -0.13 -0.17 0.00 0.00 175.17 175.72 2cwu s ARG 58 N 2.03 4.19 0.08 4.34 1.81 -1.26 -4.98 118.95 125.15 2cwu s ARG 58 Ca 0.13 1.24 0.08 0.00 -1.72 0.00 0.00 55.73 55.46 2cwu s ARG 58 Cb -0.16 -3.67 -0.03 0.00 -0.45 0.00 0.00 34.95 30.63 2cwu s ARG 58 CO 0.11 -0.72 -0.22 1.03 -0.68 0.00 0.00 175.30 174.83 2cwu s ARG 59 N 3.34 1.29 0.07 3.54 0.52 -1.26 -1.64 118.95 124.81 2cwu s ARG 59 Ca 0.44 -1.09 0.07 0.00 -0.52 0.00 0.00 55.73 54.63 2cwu s ARG 59 Cb -0.14 -1.51 -0.03 0.00 0.52 0.00 0.00 34.95 33.79 2cwu s ARG 59 CO 0.09 0.37 -0.19 -0.06 0.02 0.00 0.00 175.30 175.53 2cwu s PHE 60 N -0.99 1.62 -0.04 -0.53 0.40 -0.36 0.13 117.98 118.22 2cwu s PHE 60 Ca 0.08 -0.40 0.04 0.00 -0.60 0.00 0.00 56.93 56.05 2cwu s PHE 60 Cb -0.10 -0.92 -0.02 0.00 0.51 0.00 0.00 43.02 42.49 2cwu s PHE 60 CO 0.03 0.12 -0.16 0.50 0.70 0.00 0.00 175.22 176.41 2cwu s ARG 61 N -1.55 2.43 0.02 0.44 3.52 0.28 -1.05 118.95 123.03 2cwu s ARG 61 Ca 0.05 -0.74 0.01 0.00 -0.13 0.00 0.00 55.73 54.92 2cwu s ARG 61 Cb -0.09 -2.32 -0.02 0.00 -1.56 0.00 0.00 34.95 30.97 2cwu s ARG 61 CO 0.03 0.61 -0.04 0.08 -0.81 0.00 0.00 175.30 175.17 2cwu s VAL 62 N -0.71 0.25 -0.24 7.11 1.01 0.71 -1.44 120.40 127.08 2cwu s VAL 62 Ca 0.11 -0.70 -0.05 0.00 0.00 0.00 0.00 61.98 61.35 2cwu s VAL 62 Cb -0.10 -0.32 -0.01 0.00 0.00 0.00 0.00 36.38 35.95 2cwu s VAL 62 CO 0.00 -0.29 0.00 -0.36 0.00 0.00 0.00 175.10 174.45 2cwu s PHE 63 N -0.99 3.03 -0.27 5.22 0.08 0.15 -1.26 117.98 123.94 2cwu s PHE 63 Ca -0.09 -0.87 -0.08 0.00 0.12 0.00 0.00 56.93 56.02 2cwu s PHE 63 Cb -0.07 -2.16 -0.02 0.00 -0.57 0.00 0.00 43.02 40.21 2cwu s PHE 63 CO -0.00 -0.52 0.08 0.42 -0.10 0.00 0.00 175.22 175.10 2cwu s ILE 64 N 1.50 4.27 0.29 0.64 -1.09 0.29 -0.68 121.20 126.41 2cwu s ILE 64 Ca 0.05 -0.34 -0.05 0.00 -2.23 0.00 0.00 60.65 58.08 2cwu s ILE 64 Cb -0.15 -3.07 -0.05 0.00 -1.58 0.00 0.00 42.46 37.60 2cwu s ILE 64 CO -0.01 0.23 0.56 -2.28 -1.23 0.00 0.00 174.94 172.22 2cwu s HIS 65 N 1.59 3.47 -0.15 3.97 5.65 0.85 -1.63 115.29 129.03 2cwu s HIS 65 Ca 0.05 0.67 0.00 0.00 0.25 0.00 0.00 55.06 56.04 2cwu s HIS 65 Cb -0.16 -2.13 0.03 0.00 -1.18 0.00 0.00 32.58 29.14 2cwu s HIS 65 CO 0.04 0.17 -0.13 0.34 -0.65 0.00 0.00 174.74 174.51 2cwu s ASP 66 N -3.11 2.76 0.00 9.88 -1.08 -1.26 -0.62 116.67 123.24 2cwu s ASP 66 Ca 0.44 -0.54 0.23 0.00 -0.52 0.00 0.00 52.55 52.16 2cwu s ASP 66 Cb -0.11 -1.15 1.15 0.00 -1.46 0.00 0.00 42.92 41.36 2cwu s ASP 66 CO 0.29 -0.08 1.76 1.33 0.52 0.00 0.00 175.17 178.99 2cwu n VAL 67 N 4.78 0.28 0.52 1.11 0.24 -0.04 -2.85 118.33 122.37 2cwu n VAL 67 Ca -0.16 0.07 0.12 0.00 -2.04 0.00 0.00 64.34 62.33 2cwu n VAL 67 Cb 0.49 -0.69 0.08 0.00 -1.47 0.00 0.00 33.84 32.26 2cwu n VAL 67 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 2cwu n SER 68 N -1.30 0.66 0.00 -1.34 3.41 -1.26 -4.93 113.62 108.86 2cwu n SER 68 Ca 0.11 -0.02 0.00 0.00 -0.26 0.00 0.00 58.87 58.70 2cwu n SER 68 Cb 0.19 0.52 0.00 0.00 -0.26 0.00 0.00 64.21 64.66 2cwu n SER 68 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2cwu n GLY 69 N 1.34 0.94 3.66 5.00 0.00 -1.13 -5.02 105.19 109.96 2cwu n GLY 69 Ca 0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.74 2cwu n GLY 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2cwu s ALA 70 N -2.00 1.16 0.32 4.61 0.00 -1.26 -4.93 121.76 119.65 2cwu s ALA 70 Ca 0.00 0.22 -0.29 0.00 0.00 0.00 0.00 51.96 51.89 2cwu s ALA 70 Cb 0.00 -3.32 -0.10 0.00 0.00 0.00 0.00 23.12 19.70 2cwu s ALA 70 CO 0.00 -2.77 1.39 1.03 0.00 0.00 0.00 175.76 175.41 2cwu s ARG 71 N -4.71 4.28 0.96 0.00 0.52 -1.26 -4.53 118.95 114.20 2cwu s ARG 71 Ca 0.65 2.32 -0.15 0.00 -0.52 0.00 0.00 55.73 58.04 2cwu s ARG 71 Cb -0.21 -3.06 0.18 0.00 0.52 0.00 0.00 34.95 32.37 2cwu s ARG 71 CO 0.59 -0.33 1.23 -1.25 0.02 0.00 0.00 175.30 175.55 2cwu s PRO 72 N -1.41 0.71 0.02 3.54 0.04 -1.26 -4.81 135.00 131.82 2cwu s PRO 72 Ca 0.53 -0.12 -0.03 0.00 0.04 0.00 0.00 61.00 61.42 2cwu s PRO 72 Cb -0.42 -1.83 -0.01 0.00 0.04 0.00 0.00 34.50 32.28 2cwu s PRO 72 CO 0.52 -2.42 0.04 -0.65 0.04 0.00 0.00 177.00 174.53 2cwu s GLN 73 N -5.64 0.41 -0.18 4.56 -0.21 -0.65 -0.70 119.66 117.25 2cwu s GLN 73 Ca 0.69 -0.59 -0.05 0.00 0.02 0.00 0.00 55.36 55.44 2cwu s GLN 73 Cb -0.08 0.16 -0.03 0.00 1.00 0.00 0.00 33.01 34.06 2cwu s GLN 73 CO 0.53 -0.08 -0.01 -2.00 -2.12 0.00 0.00 175.29 171.60 2cwu s GLU 74 N -1.68 3.64 0.00 2.91 2.12 -0.25 -0.55 118.70 124.89 2cwu s GLU 74 Ca -0.13 -0.52 0.02 0.00 0.36 0.00 0.00 54.97 54.70 2cwu s GLU 74 Cb -0.07 -3.02 -0.01 0.00 0.26 0.00 0.00 34.13 31.29 2cwu s GLU 74 CO -0.01 0.10 -0.07 0.08 -0.54 0.00 0.00 175.26 174.82 2cwu s VAL 75 N 0.76 0.55 -0.08 3.70 1.01 -0.38 -0.89 120.40 125.06 2cwu s VAL 75 Ca -0.00 -0.41 0.04 0.00 0.00 0.00 0.00 61.98 61.61 2cwu s VAL 75 Cb -0.14 -0.49 -0.00 0.00 0.00 0.00 0.00 36.38 35.75 2cwu s VAL 75 CO 0.02 0.08 -0.22 0.28 0.00 0.00 0.00 175.10 175.26 2cwu s THR 76 N -0.33 1.89 0.17 3.92 -1.32 -0.25 -0.21 115.64 119.52 2cwu s THR 76 Ca 0.01 -0.93 0.06 0.00 -1.21 0.00 0.00 61.69 59.62 2cwu s THR 76 Cb -0.04 -1.63 -0.04 0.00 -1.51 0.00 0.00 72.50 69.28 2cwu s THR 76 CO -0.00 0.52 -0.13 0.68 -2.21 0.00 0.00 174.62 173.48 2cwu s VAL 77 N 0.28 1.50 -0.32 5.08 -7.23 -0.22 -0.47 120.40 119.03 2cwu s VAL 77 Ca -0.15 -2.10 -0.08 0.00 -1.81 0.00 0.00 61.98 57.85 2cwu s VAL 77 Cb -0.17 -1.91 0.02 0.00 0.56 0.00 0.00 36.38 34.88 2cwu s VAL 77 CO 0.07 -0.62 0.11 -0.55 -0.31 0.00 0.00 175.10 173.81 2cwu s SER 78 N -3.15 5.32 0.50 4.85 0.15 -0.17 -1.22 113.70 119.98 2cwu s SER 78 Ca 0.19 -0.84 0.29 0.00 0.70 0.00 0.00 55.95 56.28 2cwu s SER 78 Cb -0.00 -1.91 1.03 0.00 -1.71 0.00 0.00 66.02 63.42 2cwu s SER 78 CO 0.04 -0.26 1.86 -0.37 1.20 0.00 0.00 173.24 175.71 2cwu h VAL 79 N 5.92 0.16 -0.08 4.45 -1.51 -1.61 0.57 116.25 124.15 2cwu h VAL 79 Ca -0.28 -0.80 -0.09 0.00 -1.23 0.00 0.00 66.70 64.29 2cwu h VAL 79 Cb 1.11 1.69 0.00 0.00 -2.13 0.00 0.00 31.29 31.97 2cwu h VAL 79 CO 0.62 0.07 -0.32 0.74 -1.23 0.00 0.00 177.57 177.45 2cwu h THR 80 N 0.00 1.41 -0.01 7.19 2.02 -1.93 -3.29 112.91 118.30 2cwu h THR 80 Ca -0.00 -1.69 0.00 0.00 0.77 0.00 0.00 66.41 65.49 2cwu h THR 80 Cb 0.69 2.26 0.00 0.00 -1.74 0.00 0.00 68.15 69.36 2cwu h THR 80 CO 0.01 0.49 -0.49 0.59 0.37 0.00 0.00 175.52 176.49 2cwu n ASN 81 N -4.42 1.06 -2.53 4.18 3.02 -1.19 -4.96 115.26 110.42 2cwu n ASN 81 Ca -0.08 -0.85 -0.19 0.00 -0.03 0.00 0.00 54.58 53.44 2cwu n ASN 81 Cb 0.50 0.38 0.03 0.00 -0.61 0.00 0.00 39.78 40.07 2cwu n ASN 81 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2cwu n GLY 82 N 1.43 -0.33 3.34 7.41 0.00 0.17 -5.00 105.19 112.20 2cwu n GLY 82 Ca 0.08 -0.02 -0.18 0.00 0.00 0.00 0.00 46.02 45.90 2cwu n GLY 82 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2cwu s THR 83 N -3.07 1.66 -0.31 2.61 -4.23 -1.05 -4.95 115.64 106.31 2cwu s THR 83 Ca 0.24 -2.19 -0.18 0.00 -1.18 0.00 0.00 61.69 58.38 2cwu s THR 83 Cb -0.10 -2.07 -0.02 0.00 1.34 0.00 0.00 72.50 71.65 2cwu s THR 83 CO 0.29 -0.58 0.50 -0.69 -0.54 0.00 0.00 174.62 173.61 2cwu s VAL 84 N -3.02 5.05 0.00 2.29 1.01 -1.26 -1.00 120.40 123.47 2cwu s VAL 84 Ca 0.23 0.59 -0.20 0.00 0.00 0.00 0.00 61.98 62.59 2cwu s VAL 84 Cb 0.00 -3.88 -0.21 0.00 0.00 0.00 0.00 36.38 32.29 2cwu s VAL 84 CO 0.07 -0.05 1.14 0.40 0.00 0.00 0.00 175.10 176.65 2cwu h ILE 85 N 5.50 1.43 -2.14 2.22 5.03 -1.11 -3.47 117.51 124.97 2cwu h ILE 85 Ca -0.29 -1.91 -0.06 0.00 -0.12 0.00 0.00 64.86 62.48 2cwu h ILE 85 Cb 1.14 2.47 -0.20 0.00 -3.03 0.00 0.00 36.82 37.20 2cwu h ILE 85 CO 0.74 0.55 0.11 -0.94 -0.68 0.00 0.00 178.15 177.92 2cwu s SER 86 N -6.56 -0.62 -0.07 1.72 1.04 -1.11 -5.01 113.70 103.09 2cwu s SER 86 Ca -0.14 0.84 -0.03 0.00 0.48 0.00 0.00 55.95 57.10 2cwu s SER 86 Cb 0.04 0.76 0.04 0.00 0.10 0.00 0.00 66.02 66.95 2cwu s SER 86 CO 0.80 -0.48 0.12 0.00 0.98 0.00 0.00 173.24 174.66 2cwu s ALA 87 N -0.76 -0.02 -0.04 5.32 0.00 -1.26 -1.09 121.76 123.92 2cwu s ALA 87 Ca -0.08 0.42 0.06 0.00 0.00 0.00 0.00 51.96 52.36 2cwu s ALA 87 Cb -0.02 -0.74 -0.01 0.00 0.00 0.00 0.00 23.12 22.36 2cwu s ALA 87 CO 0.07 -0.53 -0.22 0.14 0.00 0.00 0.00 175.76 175.22 2cwu s VAL 88 N 2.22 1.75 0.04 0.00 -7.23 -0.07 -4.97 120.40 112.15 2cwu s VAL 88 Ca 0.04 -0.92 -0.30 0.00 -1.81 0.00 0.00 61.98 58.99 2cwu s VAL 88 Cb -0.12 -1.48 -0.04 0.00 0.56 0.00 0.00 36.38 35.30 2cwu s VAL 88 CO -0.05 0.50 1.04 -0.70 -0.31 0.00 0.00 175.10 175.58 2cwu s GLU 89 N -0.21 4.55 -0.11 4.82 2.12 -1.26 -1.09 118.70 127.52 2cwu s GLU 89 Ca 0.00 1.53 -0.10 0.00 0.36 0.00 0.00 54.97 56.76 2cwu s GLU 89 Cb -0.11 -3.41 -0.05 0.00 0.26 0.00 0.00 34.13 30.82 2cwu s GLU 89 CO 0.02 -0.06 0.21 -0.51 -0.54 0.00 0.00 175.26 174.38 2cwu s LEU 90 N 0.80 4.36 -0.92 2.70 1.43 0.13 -4.94 118.68 122.23 2cwu s LEU 90 Ca 0.53 0.53 -0.09 0.00 -1.03 0.00 0.00 54.13 54.07 2cwu s LEU 90 Cb -0.24 -2.21 0.24 0.00 0.03 0.00 0.00 46.19 44.01 2cwu s LEU 90 CO 0.29 0.32 0.86 -0.62 0.23 0.00 0.00 176.35 177.43 2cwu s ASP 91 N -0.64 6.71 0.45 2.29 3.68 -1.26 -4.17 116.67 123.72 2cwu s ASP 91 Ca 0.16 -3.20 0.18 0.00 2.13 0.00 0.00 52.55 51.82 2cwu s ASP 91 Cb -0.13 -2.13 1.13 0.00 -1.45 0.00 0.00 42.92 40.35 2cwu s ASP 91 CO 0.05 -0.39 1.93 0.71 0.13 0.00 0.00 175.17 177.60 2cwu h THR 92 N 4.31 0.77 0.00 1.71 1.35 -1.95 0.67 112.91 119.78 2cwu h THR 92 Ca 0.13 -0.11 -0.00 0.00 -0.55 0.00 0.00 66.41 65.88 2cwu h THR 92 Cb 0.94 0.42 -0.00 0.00 -1.73 0.00 0.00 68.15 67.78 2cwu h THR 92 CO 0.86 0.06 -0.01 0.00 -0.25 0.00 0.00 175.52 176.18 2cwu h ALA 93 N 1.66 1.22 0.00 6.62 0.00 -1.90 -0.63 119.26 126.23 2cwu h ALA 93 Ca 0.35 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 55.18 2cwu h ALA 93 Cb 0.93 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 2cwu h ALA 93 CO -0.10 0.01 -1.12 0.00 0.00 0.00 0.00 179.25 178.05 2cwu n ALA 94 N -2.19 1.25 1.41 0.00 0.00 0.11 -4.74 120.51 116.35 2cwu n ALA 94 Ca -0.03 -0.74 0.14 0.00 0.00 0.00 0.00 53.44 52.81 2cwu n ALA 94 Cb 0.10 0.09 0.50 0.00 0.00 0.00 0.00 19.45 20.13 2cwu n ALA 94 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2cwu n THR 95 N -4.27 0.00 0.00 0.00 -2.24 -0.47 -4.81 114.28 102.50 2cwu n THR 95 Ca -0.18 -0.16 0.00 0.00 -2.27 0.00 0.00 64.05 61.43 2cwu n THR 95 Cb 0.51 0.33 0.00 0.00 -2.10 0.00 0.00 70.33 69.08 2cwu n THR 95 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2cwu n GLY 96 N 1.25 2.72 3.89 3.38 0.00 -0.24 -4.45 105.19 111.74 2cwu n GLY 96 Ca 0.16 -1.81 -0.29 0.00 0.00 0.00 0.00 46.02 44.07 2cwu n GLY 96 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2cwu s GLU 97 N -3.64 3.26 0.73 1.61 0.41 -0.02 -4.31 118.70 116.74 2cwu s GLU 97 Ca 0.00 0.41 -0.11 0.00 -0.41 0.00 0.00 54.97 54.85 2cwu s GLU 97 Cb 0.00 -2.17 0.03 0.00 -1.78 0.00 0.00 34.13 30.21 2cwu s GLU 97 CO 0.00 -0.64 1.08 -0.51 -0.49 0.00 0.00 175.26 174.71 2cwu s LEU 98 N -5.09 2.86 0.67 1.80 1.43 -1.26 -3.97 118.68 115.11 2cwu s LEU 98 Ca 0.54 1.30 -0.17 0.00 -1.03 0.00 0.00 54.13 54.77 2cwu s LEU 98 Cb -0.11 -4.07 -0.02 0.00 0.03 0.00 0.00 46.19 42.02 2cwu s LEU 98 CO 0.50 -1.55 0.93 -2.65 0.23 0.00 0.00 176.35 173.81 2cwu n PRO 99 N -3.16 0.66 -2.06 1.29 -0.02 -1.26 -4.78 135.00 125.67 2cwu n PRO 99 Ca 0.07 0.27 -0.41 0.00 -2.02 0.00 0.00 63.50 61.41 2cwu n PRO 99 Cb 0.56 -2.16 -0.02 0.00 -0.02 0.00 0.00 33.50 31.86 2cwu n PRO 99 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2cwu s VAL 100 N -1.68 2.65 0.08 -1.45 1.01 -0.37 -4.94 120.40 115.69 2cwu s VAL 100 Ca 0.74 0.62 -0.16 0.00 0.00 0.00 0.00 61.98 63.18 2cwu s VAL 100 Cb -0.38 -3.39 -0.06 0.00 0.00 0.00 0.00 36.38 32.55 2cwu s VAL 100 CO 0.49 0.13 0.51 -0.76 0.00 0.00 0.00 175.10 175.48 2cwu s LEU 101 N -1.41 4.45 0.50 3.92 1.43 -1.26 -4.85 118.68 121.45 2cwu s LEU 101 Ca 0.52 1.10 0.15 0.00 -1.03 0.00 0.00 54.13 54.88 2cwu s LEU 101 Cb -0.41 -2.94 1.20 0.00 0.03 0.00 0.00 46.19 44.07 2cwu s LEU 101 CO 0.51 0.23 2.12 -0.08 0.23 0.00 0.00 176.35 179.36 2cwu h GLU 102 N 4.22 0.11 0.00 1.70 4.81 -1.95 0.04 114.58 123.50 2cwu h GLU 102 Ca -0.50 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.73 2cwu h GLU 102 Cb 1.21 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.56 2cwu h GLU 102 CO 0.64 0.07 0.00 -0.85 -0.73 0.00 0.00 179.01 178.14 2cwu n GLU 103 N -4.51 0.08 0.05 1.92 0.28 -1.26 -2.22 120.64 114.97 2cwu n GLU 103 Ca -0.01 0.28 0.12 0.00 -0.16 0.00 0.00 57.16 57.39 2cwu n GLU 103 Cb 0.13 -1.64 0.14 0.00 1.43 0.00 0.00 31.44 31.50 2cwu n GLU 103 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 2cwu n GLU 104 N -1.79 0.26 0.05 3.44 1.02 -0.00 -4.33 120.64 119.29 2cwu n GLU 104 Ca 0.04 0.05 -0.12 0.00 -0.02 0.00 0.00 57.16 57.11 2cwu n GLU 104 Cb 0.22 -1.64 -0.05 0.00 -0.02 0.00 0.00 31.44 29.95 2cwu n GLU 104 CO 0.00 0.00 0.00 0.74 1.18 0.00 0.00 177.13 179.05 2cwu h PHE 105 N 0.00 -0.98 0.00 -0.32 -1.00 -1.45 -2.42 116.94 110.77 2cwu h PHE 105 Ca 0.00 0.03 0.00 0.00 2.81 0.00 0.00 57.97 60.81 2cwu h PHE 105 Cb 0.72 0.44 0.00 0.00 3.61 0.00 0.00 35.95 40.71 2cwu h PHE 105 CO 0.00 -0.44 0.00 1.05 -1.61 0.00 0.00 178.31 177.31 2cwu h GLU 106 N -0.49 0.00 -0.89 1.51 4.11 -1.77 -3.24 114.58 113.81 2cwu h GLU 106 Ca 0.06 0.00 0.07 0.00 0.07 0.00 0.00 59.36 59.57 2cwu h GLU 106 Cb 0.59 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.77 2cwu h GLU 106 CO -0.30 0.00 0.55 0.28 0.07 0.00 0.00 179.01 179.61 2cwu h VAL 107 N 0.00 1.02 0.43 -1.06 2.07 -1.64 -2.32 116.25 114.75 2cwu h VAL 107 Ca 0.00 -0.34 -0.01 0.00 0.82 0.00 0.00 66.70 67.17 2cwu h VAL 107 Cb 0.43 -0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.14 2cwu h VAL 107 CO 0.00 0.18 -0.32 0.58 0.02 0.00 0.00 177.57 178.03 2cwu h VAL 108 N 0.98 0.34 -0.77 2.57 2.07 -1.67 -0.85 116.25 118.92 2cwu h VAL 108 Ca 0.40 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.92 2cwu h VAL 108 Cb 0.23 0.34 -0.04 0.00 -1.52 0.00 0.00 31.29 30.30 2cwu h VAL 108 CO -0.19 0.00 0.49 -0.08 0.02 0.00 0.00 177.57 177.80 2cwu h GLU 109 N -0.74 1.02 -0.41 1.57 4.81 -1.76 -2.01 114.58 117.06 2cwu h GLU 109 Ca -0.04 -0.08 -0.01 0.00 -0.13 0.00 0.00 59.36 59.10 2cwu h GLU 109 Cb 0.63 -0.22 -0.02 0.00 0.63 0.00 0.00 28.75 29.77 2cwu h GLU 109 CO 0.01 0.70 0.22 1.96 -0.73 0.00 0.00 179.01 181.17 2cwu h GLN 110 N 1.04 0.57 -0.23 1.92 4.20 -1.25 -1.79 115.11 119.57 2cwu h GLN 110 Ca 0.28 -0.07 -0.04 0.00 0.06 0.00 0.00 58.65 58.88 2cwu h GLN 110 Cb -0.08 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 27.58 2cwu h GLN 110 CO -0.06 0.46 -0.02 -0.07 -0.67 0.00 0.00 178.83 178.47 2cwu h LEU 111 N 0.53 0.42 -1.80 1.46 3.38 -1.00 -3.04 115.31 115.27 2cwu h LEU 111 Ca 0.14 -0.33 -0.02 0.00 0.09 0.00 0.00 57.88 57.76 2cwu h LEU 111 Cb 0.06 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.69 2cwu h LEU 111 CO -0.02 0.65 -0.11 -0.07 0.09 0.00 0.00 178.44 178.98 2cwu h LEU 112 N 0.18 0.00 -2.54 1.67 3.38 -1.30 -2.58 115.31 114.11 2cwu h LEU 112 Ca 0.06 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.04 2cwu h LEU 112 Cb 0.45 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.20 2cwu h LEU 112 CO 0.02 0.11 0.13 0.00 0.09 0.00 0.00 178.44 178.78 2cwu h ALA 113 N 1.89 1.28 -0.12 1.53 0.00 -1.19 -1.64 119.26 121.01 2cwu h ALA 113 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2cwu h ALA 113 Cb 0.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.98 2cwu h ALA 113 CO 0.01 -0.15 0.00 0.25 0.00 0.00 0.00 179.25 179.37 2cwu n THR 114 N -3.21 0.55 -3.04 0.00 -2.24 -0.98 -4.92 114.28 100.44 2cwu n THR 114 Ca -0.02 -0.77 -0.40 0.00 -2.27 0.00 0.00 64.05 60.58 2cwu n THR 114 Cb 0.20 0.79 -0.05 0.00 -2.10 0.00 0.00 70.33 69.17 2cwu n THR 114 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2cwu s ASP 115 N -0.80 6.82 0.29 3.42 -1.08 -0.62 -4.96 116.67 119.75 2cwu s ASP 115 Ca 0.11 1.00 -0.00 0.00 -0.52 0.00 0.00 52.55 53.14 2cwu s ASP 115 Cb 0.06 -2.39 0.49 0.00 -1.46 0.00 0.00 42.92 39.62 2cwu s ASP 115 CO 0.09 -0.28 1.91 -0.33 0.52 0.00 0.00 175.17 177.07 2cwu h GLU 116 N 7.30 1.05 -0.43 4.34 5.08 -1.94 -0.32 114.58 129.66 2cwu h GLU 116 Ca -0.32 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 57.95 2cwu h GLU 116 Cb 1.15 -0.24 -0.02 0.00 0.50 0.00 0.00 28.75 30.14 2cwu h GLU 116 CO 0.79 0.69 0.17 0.00 -1.00 0.00 0.00 179.01 179.67 2cwu h ARG 117 N 1.08 0.64 -0.23 2.33 3.08 -1.94 -0.12 114.38 119.22 2cwu h ARG 117 Ca 0.40 -0.12 -0.02 0.00 0.07 0.00 0.00 59.98 60.31 2cwu h ARG 117 Cb 0.17 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.11 2cwu h ARG 117 CO -0.15 0.59 0.06 2.35 -1.07 0.00 0.00 179.97 181.75 2cwu h TRP 118 N 0.55 0.39 -0.86 3.04 2.91 -1.71 -1.90 115.95 118.37 2cwu h TRP 118 Ca 0.14 -0.05 -0.01 0.00 1.13 0.00 0.00 58.89 60.11 2cwu h TRP 118 Cb 0.19 -0.11 -0.04 0.00 -0.51 0.00 0.00 29.16 28.69 2cwu h TRP 118 CO 0.00 0.47 0.51 -0.07 -1.03 0.00 0.00 178.44 178.33 2cwu h LEU 119 N 0.20 1.03 -0.93 0.65 3.38 -0.94 -1.32 115.31 117.37 2cwu h LEU 119 Ca 0.07 -0.06 -0.09 0.00 0.09 0.00 0.00 57.88 57.89 2cwu h LEU 119 Cb 0.28 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 2cwu h LEU 119 CO 0.00 0.79 -0.17 0.50 0.09 0.00 0.00 178.44 179.66 2cwu h LYS 120 N 1.18 0.59 -0.50 1.13 3.64 -0.83 0.12 116.57 121.90 2cwu h LYS 120 Ca 0.31 -0.20 -0.12 0.00 -1.27 0.00 0.00 60.65 59.37 2cwu h LYS 120 Cb -0.04 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.71 2cwu h LYS 120 CO -0.06 0.74 -0.16 0.00 -2.27 0.00 0.00 179.45 177.69 2cwu h ALA 121 N 1.29 0.69 -0.30 5.00 0.00 -0.63 -1.67 119.26 123.64 2cwu h ALA 121 Ca 0.09 -0.37 -0.15 0.00 0.00 0.00 0.00 54.91 54.47 2cwu h ALA 121 Cb 0.59 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 2cwu h ALA 121 CO 0.04 0.64 -0.43 -0.07 0.00 0.00 0.00 179.25 179.43 2cwu h LEU 122 N 0.85 0.81 -0.90 0.00 3.38 -0.96 -3.01 115.31 115.48 2cwu h LEU 122 Ca 0.12 -0.38 -0.06 0.00 0.09 0.00 0.00 57.88 57.65 2cwu h LEU 122 Cb 0.74 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.23 2cwu h LEU 122 CO 0.06 1.12 0.15 0.00 0.09 0.00 0.00 178.44 179.86 2cwu h ALA 123 N 0.91 1.10 0.00 1.53 0.00 -0.86 -0.20 119.26 121.74 2cwu h ALA 123 Ca 0.04 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 2cwu h ALA 123 Cb 0.99 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.53 2cwu h ALA 123 CO 0.09 0.60 -0.03 0.00 0.00 0.00 0.00 179.25 179.91 2cwu h ALA 124 N 1.24 1.20 -0.32 0.00 0.00 -1.17 -0.95 119.26 119.26 2cwu h ALA 124 Ca 0.20 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.08 2cwu h ALA 124 Cb 0.33 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.12 2cwu h ALA 124 CO 0.00 0.04 0.00 0.54 0.00 0.00 0.00 179.25 179.83 2cwu n ARG 125 N -3.42 2.21 -3.62 0.00 1.74 -0.48 -4.97 116.66 108.13 2cwu n ARG 125 Ca -0.02 -2.01 -0.26 0.00 -0.77 0.00 0.00 57.85 54.79 2cwu n ARG 125 Cb 0.14 -1.38 0.06 0.00 -1.02 0.00 0.00 32.46 30.26 2cwu n ARG 125 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2cwu n ASN 126 N 1.03 -5.84 -4.60 0.55 3.02 -0.36 -4.99 115.26 104.07 2cwu n ASN 126 Ca 0.15 -0.57 -0.34 0.00 -0.03 0.00 0.00 54.58 53.78 2cwu n ASN 126 Cb 0.48 -4.63 -0.11 0.00 -0.61 0.00 0.00 39.78 34.92 2cwu n ASN 126 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2cwu s LEU 127 N -7.21 3.47 -0.28 3.41 1.43 -0.21 -5.01 118.68 114.27 2cwu s LEU 127 Ca 0.57 0.03 -0.28 0.00 -1.03 0.00 0.00 54.13 53.42 2cwu s LEU 127 Cb -0.27 -1.82 0.01 0.00 0.03 0.00 0.00 46.19 44.15 2cwu s LEU 127 CO 0.71 0.27 1.00 -0.62 0.23 0.00 0.00 176.35 177.94 2cwu s ASP 128 N -0.25 6.93 0.45 2.29 2.15 -1.26 -4.41 116.67 122.57 2cwu s ASP 128 Ca 0.05 1.09 0.22 0.00 0.43 0.00 0.00 52.55 54.34 2cwu s ASP 128 Cb -0.12 -2.51 1.21 0.00 -0.30 0.00 0.00 42.92 41.19 2cwu s ASP 128 CO 0.02 -0.75 1.83 1.62 -0.17 0.00 0.00 175.17 177.72 2cwu h VAL 129 N 5.60 0.58 0.00 1.11 3.04 -1.95 0.79 116.25 125.43 2cwu h VAL 129 Ca -0.21 -0.10 0.00 0.00 -1.01 0.00 0.00 66.70 65.38 2cwu h VAL 129 Cb 1.07 0.26 0.00 0.00 -2.01 0.00 0.00 31.29 30.61 2cwu h VAL 129 CO 0.98 0.05 0.00 0.77 -1.01 0.00 0.00 177.57 178.37 2cwu h SER 130 N 0.29 0.00 -0.31 3.17 4.64 -1.99 -2.28 113.55 117.07 2cwu h SER 130 Ca 0.51 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.83 2cwu h SER 130 Cb 1.48 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.57 2cwu h SER 130 CO -0.17 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.08 2cwu n LYS 131 N -2.98 2.17 -3.41 4.77 5.02 0.27 -4.92 118.16 119.07 2cwu n LYS 131 Ca -0.01 -1.97 -0.43 0.00 -2.02 0.00 0.00 58.31 53.88 2cwu n LYS 131 Cb 0.17 -1.37 -0.10 0.00 -0.02 0.00 0.00 35.03 33.71 2cwu n LYS 131 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2cwu s VAL 132 N -1.17 5.20 0.23 -0.18 1.01 -0.86 -0.51 120.40 124.12 2cwu s VAL 132 Ca 0.28 -0.51 -0.19 0.00 0.00 0.00 0.00 61.98 61.57 2cwu s VAL 132 Cb 0.16 -3.95 -0.08 0.00 0.00 0.00 0.00 36.38 32.51 2cwu s VAL 132 CO 0.22 -0.33 0.71 -0.13 0.00 0.00 0.00 175.10 175.58 2cwu s ARG 133 N 1.85 4.20 -0.12 2.72 1.81 0.68 -4.90 118.95 125.18 2cwu s ARG 133 Ca 0.08 0.81 0.01 0.00 -1.72 0.00 0.00 55.73 54.91 2cwu s ARG 133 Cb -0.18 -2.83 0.02 0.00 -0.45 0.00 0.00 34.95 31.51 2cwu s ARG 133 CO 0.11 0.37 -0.12 0.08 -0.68 0.00 0.00 175.30 175.06 2cwu s VAL 134 N -1.57 1.34 -0.05 3.52 1.01 -1.26 -0.89 120.40 122.50 2cwu s VAL 134 Ca 0.44 -0.51 -0.30 0.00 0.00 0.00 0.00 61.98 61.61 2cwu s VAL 134 Cb -0.16 -1.28 -0.02 0.00 0.00 0.00 0.00 36.38 34.92 2cwu s VAL 134 CO 0.20 0.42 1.04 0.00 0.00 0.00 0.00 175.10 176.76 2cwu s ALA 135 N 1.35 3.34 -0.87 5.51 0.00 -0.34 -4.58 121.76 126.17 2cwu s ALA 135 Ca 0.00 0.50 -0.24 0.00 0.00 0.00 0.00 51.96 52.22 2cwu s ALA 135 Cb -0.14 -3.42 0.06 0.00 0.00 0.00 0.00 23.12 19.62 2cwu s ALA 135 CO -0.06 -0.50 1.30 -1.25 0.00 0.00 0.00 175.76 175.25 2cwu s PRO 136 N 1.65 3.40 -0.06 0.00 0.04 -1.26 -3.22 135.00 135.55 2cwu s PRO 136 Ca 0.51 -0.87 -0.05 0.00 0.04 0.00 0.00 61.00 60.63 2cwu s PRO 136 Cb -0.21 -4.77 -0.04 0.00 0.04 0.00 0.00 34.50 29.52 2cwu s PRO 136 CO 0.23 -2.09 0.18 -0.51 0.04 0.00 0.00 177.00 174.84 2cwu s LEU 137 N 4.85 4.38 0.61 -3.56 1.43 -0.05 -4.93 118.68 121.41 2cwu s LEU 137 Ca 0.38 0.44 -0.19 0.00 -1.03 0.00 0.00 54.13 53.73 2cwu s LEU 137 Cb -0.05 -2.36 -0.03 0.00 0.03 0.00 0.00 46.19 43.78 2cwu s LEU 137 CO 0.01 0.33 1.24 -1.54 0.23 0.00 0.00 176.35 176.62 2cwu n SER 138 N 1.49 1.95 0.01 2.29 3.41 -1.26 -1.05 113.62 120.46 2cwu n SER 138 Ca -0.15 0.87 -0.14 0.00 -0.26 0.00 0.00 58.87 59.19 2cwu n SER 138 Cb 0.54 -1.52 -0.14 0.00 -0.26 0.00 0.00 64.21 62.83 2cwu n SER 138 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2cwu h ALA 139 N 0.80 0.53 -0.38 7.33 0.00 -1.93 -3.42 119.26 122.19 2cwu h ALA 139 Ca -0.50 -1.33 0.00 0.00 0.00 0.00 0.00 54.91 53.08 2cwu h ALA 139 Cb 1.34 0.47 0.00 0.00 0.00 0.00 0.00 17.79 19.59 2cwu h ALA 139 CO 0.54 1.38 0.00 0.41 0.00 0.00 0.00 179.25 181.58 2cwu n GLY 140 N 1.70 -1.20 2.88 0.00 0.00 -1.26 -4.78 105.19 102.53 2cwu n GLY 140 Ca -0.20 -1.23 -0.28 0.00 0.00 0.00 0.00 46.02 44.31 2cwu n GLY 140 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2cwu s VAL 141 N 0.00 1.07 0.00 1.61 1.01 -1.26 -4.45 120.40 118.38 2cwu s VAL 141 Ca 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 61.98 61.37 2cwu s VAL 141 Cb 0.00 -1.26 0.00 0.00 0.00 0.00 0.00 36.38 35.12 2cwu s VAL 141 CO 0.00 0.12 0.00 0.49 0.00 0.00 0.00 175.10 175.71 2cwu n PHE 142 N 4.89 0.00 -0.01 5.22 3.72 -1.26 -4.86 117.46 125.15 2cwu n PHE 142 Ca -0.12 0.00 0.09 0.00 -0.05 0.00 0.00 57.45 57.38 2cwu n PHE 142 Cb 0.48 0.00 0.28 0.00 -0.94 0.00 0.00 39.48 39.29 2cwu n PHE 142 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 176.76 175.86 2cwu n GLU 143 N 0.00 2.62 -2.75 -1.08 0.00 -1.26 -4.86 120.64 113.30 2cwu n GLU 143 Ca 0.00 -2.24 -0.42 0.00 0.00 0.00 0.00 57.16 54.49 2cwu n GLU 143 Cb 0.00 -1.55 -0.04 0.00 0.00 0.00 0.00 31.44 29.86 2cwu n GLU 143 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.13 177.84 2cwu s TYR 144 N -1.33 2.54 0.27 -1.84 2.02 -1.26 -4.90 117.35 112.85 2cwu s TYR 144 Ca 0.41 -0.37 -0.01 0.00 -0.37 0.00 0.00 57.07 56.73 2cwu s TYR 144 Cb 0.23 -4.40 0.45 0.00 -0.40 0.00 0.00 41.96 37.84 2cwu s TYR 144 CO 0.26 -1.79 1.87 0.00 -1.57 0.00 0.00 175.55 174.32 2cwu h ALA 145 N 9.72 1.43 0.00 3.71 0.00 -2.01 -1.86 119.26 130.25 2cwu h ALA 145 Ca -0.28 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.61 2cwu h ALA 145 Cb 1.06 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.58 2cwu h ALA 145 CO 1.21 0.38 -0.01 1.05 0.00 0.00 0.00 179.25 181.88 2cwu h GLU 146 N 1.12 0.00 0.00 0.00 9.09 -2.02 -2.24 114.58 120.54 2cwu h GLU 146 Ca 0.45 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.86 2cwu h GLU 146 Cb 0.27 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.37 2cwu h GLU 146 CO -0.20 0.01 0.00 0.39 0.05 0.00 0.00 179.01 179.26 2cwu n GLU 147 N -3.31 0.05 -1.76 1.06 1.02 -0.70 -4.62 120.64 112.38 2cwu n GLU 147 Ca -0.02 0.18 -0.42 0.00 -0.02 0.00 0.00 57.16 56.87 2cwu n GLU 147 Cb 0.12 -1.58 -0.03 0.00 -0.02 0.00 0.00 31.44 29.93 2cwu n GLU 147 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 2cwu s ARG 148 N -3.05 3.97 0.00 3.49 0.52 -0.84 -1.17 118.95 121.87 2cwu s ARG 148 Ca 0.10 2.38 0.00 0.00 -0.52 0.00 0.00 55.73 57.68 2cwu s ARG 148 Cb 0.13 -4.15 0.00 0.00 0.52 0.00 0.00 34.95 31.45 2cwu s ARG 148 CO 0.42 -1.13 0.00 0.41 0.02 0.00 0.00 175.30 175.01 2cwu n GLY 149 N 4.66 1.10 3.80 -3.53 0.00 -1.26 -5.03 105.19 104.93 2cwu n GLY 149 Ca 0.21 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.88 2cwu n GLY 149 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2cwu s ARG 150 N -0.19 3.20 -0.60 1.61 0.52 -0.31 -4.89 118.95 118.28 2cwu s ARG 150 Ca 0.00 -0.33 -0.22 0.00 -0.52 0.00 0.00 55.73 54.66 2cwu s ARG 150 Cb 0.00 -2.97 0.06 0.00 0.52 0.00 0.00 34.95 32.56 2cwu s ARG 150 CO 0.00 0.71 0.90 0.50 0.02 0.00 0.00 175.30 177.43 2cwu s ARG 151 N -1.26 3.18 0.08 3.54 3.52 -1.26 -4.98 118.95 121.78 2cwu s ARG 151 Ca 0.18 -0.68 0.05 0.00 -0.13 0.00 0.00 55.73 55.15 2cwu s ARG 151 Cb -0.12 -4.16 -0.04 0.00 -1.56 0.00 0.00 34.95 29.08 2cwu s ARG 151 CO 0.07 -1.62 -0.04 0.42 -0.81 0.00 0.00 175.30 173.33 2cwu s ILE 152 N 3.77 3.79 -0.00 4.11 -1.09 -1.26 -1.87 121.20 128.65 2cwu s ILE 152 Ca 0.23 -1.04 0.01 0.00 -2.23 0.00 0.00 60.65 57.63 2cwu s ILE 152 Cb -0.16 -2.78 -0.00 0.00 -1.58 0.00 0.00 42.46 37.94 2cwu s ILE 152 CO 0.13 0.16 -0.04 -0.76 -1.23 0.00 0.00 174.94 173.19 2cwu s LEU 153 N -2.16 2.02 -0.03 2.97 1.43 -0.22 -4.16 118.68 118.53 2cwu s LEU 153 Ca 0.23 -0.09 0.00 0.00 -1.03 0.00 0.00 54.13 53.24 2cwu s LEU 153 Cb -0.11 -0.22 -0.04 0.00 0.03 0.00 0.00 46.19 45.85 2cwu s LEU 153 CO 0.15 0.04 0.01 -0.13 0.23 0.00 0.00 176.35 176.66 2cwu s ARG 154 N -0.15 2.90 -0.04 1.70 0.52 -0.22 -0.50 118.95 123.15 2cwu s ARG 154 Ca 0.01 -0.52 0.06 0.00 -0.52 0.00 0.00 55.73 54.76 2cwu s ARG 154 Cb -0.02 -2.74 -0.02 0.00 0.52 0.00 0.00 34.95 32.69 2cwu s ARG 154 CO -0.00 0.66 -0.22 0.20 0.02 0.00 0.00 175.30 175.96 2cwu s GLY 155 N -1.35 1.36 -0.05 -3.53 0.00 0.56 -0.87 107.32 103.45 2cwu s GLY 155 Ca 0.18 -1.05 0.06 0.00 0.00 0.00 0.00 44.72 43.91 2cwu s GLY 155 CO 0.08 -0.78 -0.24 1.08 0.00 0.00 0.00 173.10 173.24 2cwu s LEU 156 N -0.48 2.05 0.09 0.66 1.43 -1.20 -2.67 118.68 118.56 2cwu s LEU 156 Ca 0.06 -0.48 -0.06 0.00 -1.03 0.00 0.00 54.13 52.62 2cwu s LEU 156 Cb -0.11 -1.32 -0.05 0.00 0.03 0.00 0.00 46.19 44.74 2cwu s LEU 156 CO 0.01 0.25 0.34 0.00 0.23 0.00 0.00 176.35 177.18 2cwu s ALA 157 N -0.24 3.81 -0.02 4.21 0.00 -1.26 -1.19 121.76 127.06 2cwu s ALA 157 Ca -0.01 -0.55 -0.02 0.00 0.00 0.00 0.00 51.96 51.39 2cwu s ALA 157 Cb -0.13 -2.12 0.01 0.00 0.00 0.00 0.00 23.12 20.89 2cwu s ALA 157 CO 0.02 0.66 0.06 -0.06 0.00 0.00 0.00 175.76 176.44 2cwu s PHE 158 N -1.50 -0.05 -0.07 0.00 0.08 -0.06 -0.88 117.98 115.48 2cwu s PHE 158 Ca 0.35 0.17 -0.19 0.00 0.12 0.00 0.00 56.93 57.38 2cwu s PHE 158 Cb -0.13 -0.03 -0.05 0.00 -0.57 0.00 0.00 43.02 42.25 2cwu s PHE 158 CO 0.21 -0.05 0.51 0.08 -0.10 0.00 0.00 175.22 175.88 2cwu s VAL 159 N 0.29 5.10 -0.30 -0.44 1.01 0.01 -0.23 120.40 125.84 2cwu s VAL 159 Ca -0.02 1.04 -0.00 0.00 0.00 0.00 0.00 61.98 62.99 2cwu s VAL 159 Cb -0.03 -3.85 0.06 0.00 0.00 0.00 0.00 36.38 32.56 2cwu s VAL 159 CO -0.01 0.37 -0.00 -1.58 0.00 0.00 0.00 175.10 173.88 2cwu s GLN 160 N 0.25 2.30 0.35 2.72 0.74 0.34 -4.33 119.66 122.02 2cwu s GLN 160 Ca 0.28 -1.37 0.06 0.00 0.05 0.00 0.00 55.36 54.38 2cwu s GLN 160 Cb -0.16 -3.15 0.64 0.00 1.10 0.00 0.00 33.01 31.44 2cwu s GLN 160 CO 0.13 -0.67 1.87 -0.44 -0.55 0.00 0.00 175.29 175.63 2cwu h ASP 161 N 7.93 0.41 -5.15 6.67 3.32 -1.89 -3.44 116.42 124.26 2cwu h ASP 161 Ca -0.19 -0.08 -0.05 0.00 0.02 0.00 0.00 57.03 56.73 2cwu h ASP 161 Cb 1.05 -0.11 -0.11 0.00 0.22 0.00 0.00 39.33 40.39 2cwu h ASP 161 CO 0.53 0.52 -0.11 0.72 -1.72 0.00 0.00 179.24 179.18 2cwu s PHE 162 N -4.85 0.08 0.32 4.55 -0.71 -1.26 -5.03 117.98 111.08 2cwu s PHE 162 Ca -0.07 -0.44 0.05 0.00 -1.04 0.00 0.00 56.93 55.43 2cwu s PHE 162 Cb 0.15 0.22 0.84 0.00 -1.21 0.00 0.00 43.02 43.03 2cwu s PHE 162 CO 0.76 -0.84 1.57 -1.35 -1.34 0.00 0.00 175.22 174.02 2cwu h PRO 163 N 2.33 0.00 -0.65 1.99 0.11 -2.03 0.04 132.00 133.80 2cwu h PRO 163 Ca -0.30 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.81 2cwu h PRO 163 Cb 1.25 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 2cwu h PRO 163 CO 0.42 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.60 2cwu n GLU 164 N -5.46 3.15 -2.70 1.05 1.02 -1.26 -4.96 120.64 111.48 2cwu n GLU 164 Ca 0.25 -2.50 -0.39 0.00 -0.02 0.00 0.00 57.16 54.50 2cwu n GLU 164 Cb 0.84 -1.73 -0.06 0.00 -0.02 0.00 0.00 31.44 30.48 2cwu n GLU 164 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2cwu s ASP 165 N -0.90 7.45 -0.61 1.62 2.15 -0.00 -4.99 116.67 121.39 2cwu s ASP 165 Ca 0.45 1.98 -0.26 0.00 0.43 0.00 0.00 52.55 55.16 2cwu s ASP 165 Cb 0.27 -2.60 0.04 0.00 -0.30 0.00 0.00 42.92 40.33 2cwu s ASP 165 CO 0.25 0.01 1.11 -0.55 -0.17 0.00 0.00 175.17 175.82 2cwu s SER 166 N -1.26 6.33 0.57 -0.34 0.15 -1.26 -4.86 113.70 113.03 2cwu s SER 166 Ca 0.45 -0.24 0.30 0.00 0.70 0.00 0.00 55.95 57.15 2cwu s SER 166 Cb -0.25 -2.51 1.71 0.00 -1.71 0.00 0.00 66.02 63.26 2cwu s SER 166 CO 0.31 -1.48 2.19 0.00 1.20 0.00 0.00 173.24 175.46 2cwu h ALA 167 N 9.58 1.38 -0.03 5.45 0.00 -1.95 -2.82 119.26 130.87 2cwu h ALA 167 Ca -0.26 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.61 2cwu h ALA 167 Cb 1.06 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.84 2cwu h ALA 167 CO 1.18 0.06 0.05 -1.49 0.00 0.00 0.00 179.25 179.05 2cwu h TRP 168 N 0.00 0.00 0.00 0.00 4.06 -1.90 -0.04 115.95 118.07 2cwu h TRP 168 Ca -0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 2cwu h TRP 168 Cb 0.15 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.31 2cwu h TRP 168 CO 0.00 0.00 0.00 0.00 -3.56 0.00 0.00 178.44 174.88 2cwu n ALA 169 N -2.20 2.06 -3.07 1.49 0.00 -1.06 -4.09 120.51 113.64 2cwu n ALA 169 Ca -0.02 -0.04 -0.25 0.00 0.00 0.00 0.00 53.44 53.13 2cwu n ALA 169 Cb 0.13 -1.40 -0.04 0.00 0.00 0.00 0.00 19.45 18.13 2cwu n ALA 169 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2cwu n HIS 170 N -1.79 2.95 -2.14 0.00 8.25 -0.03 -4.53 115.22 117.92 2cwu n HIS 170 Ca 0.05 -3.96 -0.36 0.00 -0.26 0.00 0.00 57.72 53.19 2cwu n HIS 170 Cb 0.31 -0.48 0.01 0.00 1.12 0.00 0.00 29.99 30.95 2cwu n HIS 170 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 2cwu s PRO 171 N -3.00 3.40 -0.66 -0.41 0.04 -1.26 -0.81 135.00 132.31 2cwu s PRO 171 Ca 0.45 1.81 -0.06 0.00 0.04 0.00 0.00 61.00 63.24 2cwu s PRO 171 Cb 0.27 -2.18 0.17 0.00 0.04 0.00 0.00 34.50 32.80 2cwu s PRO 171 CO -0.11 -0.85 0.51 0.08 0.04 0.00 0.00 177.00 176.67 2cwu s VAL 172 N -1.58 4.21 0.77 -0.36 1.01 -0.06 -4.39 120.40 120.00 2cwu s VAL 172 Ca 0.70 -2.74 -0.11 0.00 0.00 0.00 0.00 61.98 59.82 2cwu s VAL 172 Cb -0.29 -3.70 0.05 0.00 0.00 0.00 0.00 36.38 32.44 2cwu s VAL 172 CO 0.34 -0.90 1.10 -0.62 0.00 0.00 0.00 175.10 175.01 2cwu s ASP 173 N 1.21 4.80 -0.04 3.32 -1.08 -1.26 -3.98 116.67 119.64 2cwu s ASP 173 Ca 0.16 1.26 0.00 0.00 -0.52 0.00 0.00 52.55 53.45 2cwu s ASP 173 Cb -0.18 -2.01 0.00 0.00 -1.46 0.00 0.00 42.92 39.27 2cwu s ASP 173 CO -0.05 -1.77 0.00 0.61 0.52 0.00 0.00 175.17 174.49 2cwu n GLY 174 N -2.38 0.43 2.81 2.66 0.00 -1.26 -4.13 105.19 103.32 2cwu n GLY 174 Ca 0.07 -0.08 -0.14 0.00 0.00 0.00 0.00 46.02 45.86 2cwu n GLY 174 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2cwu s LEU 175 N -0.09 1.35 -0.08 0.99 2.96 -1.26 -0.59 118.68 121.97 2cwu s LEU 175 Ca 0.00 0.02 -0.22 0.00 -0.22 0.00 0.00 54.13 53.71 2cwu s LEU 175 Cb 0.00 -0.08 0.05 0.00 0.50 0.00 0.00 46.19 46.66 2cwu s LEU 175 CO 0.00 -0.09 0.51 0.54 -1.32 0.00 0.00 176.35 176.00 2cwu s VAL 176 N 0.76 0.02 0.03 1.68 0.11 -0.44 -4.58 120.40 117.99 2cwu s VAL 176 Ca -0.07 -0.16 0.01 0.00 -2.93 0.00 0.00 61.98 58.83 2cwu s VAL 176 Cb -0.09 -0.80 -0.02 0.00 -1.53 0.00 0.00 36.38 33.93 2cwu s VAL 176 CO -0.02 -0.09 -0.05 0.00 -3.33 0.00 0.00 175.10 171.60 2cwu s ALA 177 N -0.84 0.37 -0.08 1.54 0.00 -1.09 0.42 121.76 122.08 2cwu s ALA 177 Ca -0.09 -0.64 0.01 0.00 0.00 0.00 0.00 51.96 51.24 2cwu s ALA 177 Cb -0.03 0.08 -0.03 0.00 0.00 0.00 0.00 23.12 23.14 2cwu s ALA 177 CO 0.06 -0.07 -0.11 0.71 0.00 0.00 0.00 175.76 176.35 2cwu s TYR 178 N -1.31 2.82 -0.02 0.00 2.02 0.18 -0.32 117.35 120.73 2cwu s TYR 178 Ca -0.11 -0.19 0.02 0.00 -0.37 0.00 0.00 57.07 56.42 2cwu s TYR 178 Cb -0.09 -1.72 -0.00 0.00 -0.40 0.00 0.00 41.96 39.75 2cwu s TYR 178 CO -0.00 0.15 -0.08 0.08 -1.57 0.00 0.00 175.55 174.13 2cwu s VAL 179 N -0.49 0.70 -0.53 0.71 1.01 0.34 -1.27 120.40 120.87 2cwu s VAL 179 Ca 0.07 -0.34 -0.21 0.00 0.00 0.00 0.00 61.98 61.50 2cwu s VAL 179 Cb -0.12 -0.61 0.06 0.00 0.00 0.00 0.00 36.38 35.71 2cwu s VAL 179 CO 0.02 0.21 0.72 -0.62 0.00 0.00 0.00 175.10 175.43 2cwu s ASP 180 N 0.05 6.25 0.04 3.32 -1.08 0.74 -1.05 116.67 124.95 2cwu s ASP 180 Ca -0.01 -0.79 0.19 0.00 -0.52 0.00 0.00 52.55 51.42 2cwu s ASP 180 Cb -0.06 -2.33 0.79 0.00 -1.46 0.00 0.00 42.92 39.85 2cwu s ASP 180 CO 0.00 -1.01 1.59 1.33 0.52 0.00 0.00 175.17 177.61 2cwu n VAL 181 N 5.78 0.79 -0.12 1.11 0.24 -0.78 -1.20 118.33 124.14 2cwu n VAL 181 Ca -0.04 0.18 -0.26 0.00 -2.04 0.00 0.00 64.34 62.18 2cwu n VAL 181 Cb 0.46 -0.92 -0.11 0.00 -1.47 0.00 0.00 33.84 31.80 2cwu n VAL 181 CO 0.00 0.00 0.00 0.52 -2.14 0.00 0.00 176.83 175.21 2cwu n VAL 182 N -1.63 1.54 1.14 3.34 0.31 -1.26 -4.28 118.33 117.49 2cwu n VAL 182 Ca 0.04 -0.23 0.14 0.00 -0.01 0.00 0.00 64.34 64.28 2cwu n VAL 182 Cb 0.22 -1.95 0.67 0.00 -0.91 0.00 0.00 33.84 31.87 2cwu n VAL 182 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 2cwu n SER 183 N -4.31 0.00 -3.41 4.52 3.41 -1.24 -4.92 113.62 107.67 2cwu n SER 183 Ca -0.44 0.27 -0.17 0.00 -0.26 0.00 0.00 58.87 58.27 2cwu n SER 183 Cb 0.80 -0.42 0.08 0.00 -0.26 0.00 0.00 64.21 64.41 2cwu n SER 183 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2cwu n LYS 184 N -1.42 -5.75 -4.53 4.33 4.01 -0.34 -5.02 118.16 109.43 2cwu n LYS 184 Ca 0.10 0.84 -0.23 0.00 -0.51 0.00 0.00 58.31 58.51 2cwu n LYS 184 Cb 0.30 -5.82 -0.14 0.00 -0.51 0.00 0.00 35.03 28.86 2cwu n LYS 184 CO 0.00 0.00 0.00 -1.21 -1.11 0.00 0.00 177.40 175.08 2cwu s GLU 185 N -5.22 1.18 -0.47 1.97 2.02 -0.93 -4.99 118.70 112.25 2cwu s GLU 185 Ca 0.08 -0.81 -0.18 0.00 0.02 0.00 0.00 54.97 54.08 2cwu s GLU 185 Cb -0.01 -1.23 0.05 0.00 0.10 0.00 0.00 34.13 33.04 2cwu s GLU 185 CO 0.74 0.31 0.53 0.08 0.02 0.00 0.00 175.26 176.93 2cwu s VAL 186 N -0.76 5.00 0.08 2.63 1.01 -1.26 -0.18 120.40 126.92 2cwu s VAL 186 Ca 0.05 -0.52 -0.15 0.00 0.00 0.00 0.00 61.98 61.36 2cwu s VAL 186 Cb -0.08 -4.18 -0.13 0.00 0.00 0.00 0.00 36.38 31.99 2cwu s VAL 186 CO 0.01 -0.63 1.33 0.71 0.00 0.00 0.00 175.10 176.52 2cwu h THR 187 N 5.80 1.32 -3.09 3.92 1.35 -1.55 -3.47 112.91 117.19 2cwu h THR 187 Ca -0.27 -1.69 -0.11 0.00 -0.55 0.00 0.00 66.41 63.78 2cwu h THR 187 Cb 1.10 1.87 -0.20 0.00 -1.73 0.00 0.00 68.15 69.20 2cwu h THR 187 CO 0.89 0.53 -0.28 -0.13 -0.25 0.00 0.00 175.52 176.28 2cwu s ARG 188 N -4.00 0.68 -0.18 4.72 0.52 -1.18 -4.99 118.95 114.52 2cwu s ARG 188 Ca -0.12 -0.25 -0.02 0.00 -0.52 0.00 0.00 55.73 54.82 2cwu s ARG 188 Cb 0.08 0.30 0.05 0.00 0.52 0.00 0.00 34.95 35.90 2cwu s ARG 188 CO 0.85 -0.19 0.01 0.08 0.02 0.00 0.00 175.30 176.06 2cwu s VAL 189 N -1.52 0.73 -0.22 3.52 1.01 -1.26 -0.65 120.40 122.02 2cwu s VAL 189 Ca -0.12 -0.58 -0.07 0.00 0.00 0.00 0.00 61.98 61.20 2cwu s VAL 189 Cb -0.05 -1.12 -0.03 0.00 0.00 0.00 0.00 36.38 35.18 2cwu s VAL 189 CO 0.03 -0.09 0.07 -0.63 0.00 0.00 0.00 175.10 174.48 2cwu s ILE 190 N 1.77 4.52 -0.23 2.22 -1.09 0.17 -5.00 121.20 123.56 2cwu s ILE 190 Ca -0.01 -0.11 0.00 0.00 -2.23 0.00 0.00 60.65 58.31 2cwu s ILE 190 Cb -0.16 -3.08 0.06 0.00 -1.58 0.00 0.00 42.46 37.69 2cwu s ILE 190 CO -0.07 0.38 -0.04 -0.62 -1.23 0.00 0.00 174.94 173.36 2cwu s ASP 191 N 1.13 3.77 0.00 3.58 -1.08 -1.26 -1.32 116.67 121.48 2cwu s ASP 191 Ca 0.04 -1.15 0.25 0.00 -0.52 0.00 0.00 52.55 51.17 2cwu s ASP 191 Cb -0.14 -1.12 0.63 0.00 -1.46 0.00 0.00 42.92 40.82 2cwu s ASP 191 CO 0.03 -0.24 1.50 0.35 0.52 0.00 0.00 175.17 177.33 2cwu n THR 192 N 4.71 0.07 0.00 1.71 -2.24 0.24 -5.01 114.28 113.75 2cwu n THR 192 Ca -0.12 -0.40 0.00 0.00 -2.27 0.00 0.00 64.05 61.26 2cwu n THR 192 Cb 0.44 0.92 0.00 0.00 -2.10 0.00 0.00 70.33 69.59 2cwu n THR 192 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2cwu n GLY 193 N 1.27 4.40 3.67 3.38 0.00 -1.24 -5.03 105.19 111.64 2cwu n GLY 193 Ca 0.17 -1.43 -0.42 0.00 0.00 0.00 0.00 46.02 44.34 2cwu n GLY 193 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2cwu s VAL 194 N -2.06 4.77 0.01 1.61 1.01 -1.26 -4.32 120.40 120.15 2cwu s VAL 194 Ca 0.00 1.94 0.03 0.00 0.00 0.00 0.00 61.98 63.96 2cwu s VAL 194 Cb 0.00 -4.27 -0.03 0.00 0.00 0.00 0.00 36.38 32.07 2cwu s VAL 194 CO 0.00 -0.06 -0.07 -0.36 0.00 0.00 0.00 175.10 174.61 2cwu s PHE 195 N 2.50 2.88 0.30 5.22 0.40 -1.26 -5.07 117.98 122.94 2cwu s PHE 195 Ca 0.44 -0.05 -0.29 0.00 -0.60 0.00 0.00 56.93 56.43 2cwu s PHE 195 Cb -0.17 -1.60 -0.11 0.00 0.51 0.00 0.00 43.02 41.66 2cwu s PHE 195 CO 0.12 0.37 1.48 -2.14 0.70 0.00 0.00 175.22 175.76 2cwu s PRO 196 N -1.45 4.20 -0.23 0.24 0.02 -1.26 -4.74 135.00 131.79 2cwu s PRO 196 Ca 0.17 2.43 -0.23 0.00 0.02 0.00 0.00 61.00 63.39 2cwu s PRO 196 Cb -0.11 -3.05 -0.01 0.00 0.02 0.00 0.00 34.50 31.34 2cwu s PRO 196 CO 0.08 -0.48 0.75 0.08 -0.33 0.00 0.00 177.00 177.09 2cwu s VAL 197 N -0.33 4.91 0.04 3.83 1.01 -1.26 -4.85 120.40 123.74 2cwu s VAL 197 Ca 0.58 1.40 -0.38 0.00 0.00 0.00 0.00 61.98 63.59 2cwu s VAL 197 Cb -0.44 -4.04 -0.17 0.00 0.00 0.00 0.00 36.38 31.72 2cwu s VAL 197 CO 0.49 -0.01 1.34 -2.65 0.00 0.00 0.00 175.10 174.28 2cwu n PRO 198 N 5.69 0.98 0.06 2.72 -0.02 -1.26 -4.92 135.00 138.25 2cwu n PRO 198 Ca 0.03 0.35 -0.19 0.00 -2.02 0.00 0.00 63.50 61.67 2cwu n PRO 198 Cb 0.48 -1.98 -0.14 0.00 -0.02 0.00 0.00 33.50 31.84 2cwu n PRO 198 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2cwu h ALA 199 N 4.57 0.25 -2.93 3.55 0.00 -1.83 -3.40 119.26 119.47 2cwu h ALA 199 Ca -0.48 -1.15 -0.55 0.00 0.00 0.00 0.00 54.91 52.73 2cwu h ALA 199 Cb 1.35 0.38 0.12 0.00 0.00 0.00 0.00 17.79 19.64 2cwu h ALA 199 CO 0.78 1.12 0.67 0.39 0.00 0.00 0.00 179.25 182.20 2cwu n GLU 200 N -3.50 2.21 -2.60 0.00 1.02 -1.26 -4.99 120.64 111.52 2cwu n GLU 200 Ca -0.21 0.79 -0.26 0.00 -0.02 0.00 0.00 57.16 57.46 2cwu n GLU 200 Cb 1.06 -2.59 0.02 0.00 -0.02 0.00 0.00 31.44 29.90 2cwu n GLU 200 CO 0.00 0.00 0.00 -3.38 1.18 0.00 0.00 177.13 174.93 2cwu s HIS 201 N -1.19 3.35 -0.31 -0.32 -3.43 -1.26 -4.76 115.29 107.37 2cwu s HIS 201 Ca 0.61 0.62 0.12 0.00 -0.80 0.00 0.00 55.06 55.60 2cwu s HIS 201 Cb -0.46 -2.50 0.46 0.00 -1.43 0.00 0.00 32.58 28.65 2cwu s HIS 201 CO 0.58 -0.54 1.13 0.41 -2.00 0.00 0.00 174.74 174.31 2cwu n GLY 202 N -2.37 4.66 3.47 -1.38 0.00 -1.26 -5.00 105.19 103.30 2cwu n GLY 202 Ca 0.02 -2.14 -0.43 0.00 0.00 0.00 0.00 46.02 43.47 2cwu n GLY 202 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2cwu s ASN 203 N -3.59 6.41 0.00 1.61 0.01 -1.26 -4.78 114.94 113.34 2cwu s ASN 203 Ca 0.42 -1.49 0.10 0.00 -0.71 0.00 0.00 52.86 51.17 2cwu s ASN 203 Cb 0.39 -2.43 0.57 0.00 0.41 0.00 0.00 41.25 40.19 2cwu s ASN 203 CO -0.02 -1.30 1.07 0.00 -1.51 0.00 0.00 177.10 175.34 2cwu n TYR 204 N 7.39 0.00 0.46 2.20 0.18 -1.26 -1.43 117.16 124.70 2cwu n TYR 204 Ca 0.13 0.00 0.06 0.00 1.88 0.00 0.00 57.90 59.97 2cwu n TYR 204 Cb 0.48 -0.07 0.06 0.00 -0.38 0.00 0.00 39.34 39.43 2cwu n TYR 204 CO 0.00 0.00 0.00 0.25 -2.08 0.00 0.00 176.86 175.03 2cwu n THR 205 N -1.07 0.08 -2.85 -3.48 -2.24 -1.26 -4.76 114.28 98.70 2cwu n THR 205 Ca 0.07 -0.54 -0.42 0.00 -2.27 0.00 0.00 64.05 60.89 2cwu n THR 205 Cb 0.04 1.20 -0.04 0.00 -2.10 0.00 0.00 70.33 69.44 2cwu n THR 205 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2cwu s ASP 206 N -1.03 6.80 0.48 3.42 3.68 -0.51 -4.93 116.67 124.57 2cwu s ASP 206 Ca 0.15 0.91 0.28 0.00 2.13 0.00 0.00 52.55 56.02 2cwu s ASP 206 Cb 0.11 -2.45 1.35 0.00 -1.45 0.00 0.00 42.92 40.47 2cwu s ASP 206 CO 0.16 -0.63 1.81 -0.65 0.13 0.00 0.00 175.17 175.98 2cwu h PRO 207 N 7.91 0.17 -0.29 4.34 0.11 -1.88 0.25 132.00 142.61 2cwu h PRO 207 Ca -0.23 -0.01 0.03 0.00 0.11 0.00 0.00 66.00 65.90 2cwu h PRO 207 Cb 1.09 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.14 2cwu h PRO 207 CO 0.91 0.11 0.19 1.49 -0.21 0.00 0.00 178.00 180.50 2cwu h GLU 208 N 0.17 0.27 0.01 1.05 4.81 -1.91 0.72 114.58 119.70 2cwu h GLU 208 Ca 0.55 -0.02 -0.37 0.00 -0.13 0.00 0.00 59.36 59.39 2cwu h GLU 208 Cb 1.84 -0.06 -0.06 0.00 0.63 0.00 0.00 28.75 31.09 2cwu h GLU 208 CO -0.13 0.18 -2.35 -0.11 -0.73 0.00 0.00 179.01 175.87 2cwu n LEU 209 N -4.49 1.61 0.08 1.64 7.94 0.73 -4.42 117.00 120.09 2cwu n LEU 209 Ca 0.02 -0.01 -0.04 0.00 -1.11 0.00 0.00 56.01 54.87 2cwu n LEU 209 Cb 0.16 -0.29 -0.07 0.00 0.53 0.00 0.00 43.42 43.75 2cwu n LEU 209 CO 0.35 0.72 0.20 0.71 -1.11 0.00 0.00 177.39 178.26 2cwu h THR 210 N 0.01 1.38 -0.78 1.96 1.35 -1.07 -3.50 112.91 112.26 2cwu h THR 210 Ca -0.53 -2.98 0.06 0.00 -0.55 0.00 0.00 66.41 62.41 2cwu h THR 210 Cb 2.06 2.67 -0.01 0.00 -1.73 0.00 0.00 68.15 71.14 2cwu h THR 210 CO -0.01 0.78 -0.07 0.61 -0.25 0.00 0.00 175.52 176.58 2cwu n GLY 211 N 1.32 -1.94 3.75 5.82 0.00 0.25 -4.74 105.19 109.66 2cwu n GLY 211 Ca -0.00 -1.36 -0.41 0.00 0.00 0.00 0.00 46.02 44.25 2cwu n GLY 211 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2cwu s PRO 212 N -0.63 4.20 0.46 1.61 0.04 -1.26 -4.84 135.00 134.58 2cwu s PRO 212 Ca 0.00 2.43 -0.23 0.00 0.04 0.00 0.00 61.00 63.24 2cwu s PRO 212 Cb 0.00 -3.06 -0.07 0.00 0.04 0.00 0.00 34.50 31.41 2cwu s PRO 212 CO 0.00 -0.49 1.18 -0.51 0.04 0.00 0.00 177.00 177.21 2cwu s LEU 213 N -0.74 4.01 0.41 -3.56 1.43 -1.26 -4.98 118.68 113.99 2cwu s LEU 213 Ca 0.59 2.33 -0.25 0.00 -1.03 0.00 0.00 54.13 55.77 2cwu s LEU 213 Cb -0.44 -4.24 -0.08 0.00 0.03 0.00 0.00 46.19 41.46 2cwu s LEU 213 CO 0.48 -0.94 1.22 -0.13 0.23 0.00 0.00 176.35 177.21 2cwu s ARG 214 N -2.69 3.97 -0.06 1.70 0.52 -1.26 -4.93 118.95 116.19 2cwu s ARG 214 Ca 0.64 1.95 0.09 0.00 -0.52 0.00 0.00 55.73 57.89 2cwu s ARG 214 Cb -0.29 -2.67 0.14 0.00 0.52 0.00 0.00 34.95 32.66 2cwu s ARG 214 CO 0.35 -0.43 1.07 0.25 0.02 0.00 0.00 175.30 176.56 2cwu n THR 215 N 0.01 1.41 0.52 0.02 -2.24 -1.26 -4.70 114.28 108.04 2cwu n THR 215 Ca 0.05 -1.60 0.12 0.00 -2.27 0.00 0.00 64.05 60.35 2cwu n THR 215 Cb 0.46 0.14 0.16 0.00 -2.10 0.00 0.00 70.33 68.99 2cwu n THR 215 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 2cwu h THR 216 N 0.19 0.00 -3.49 4.28 1.35 -2.04 -3.46 112.91 109.74 2cwu h THR 216 Ca 0.00 -0.55 -0.57 0.00 -0.55 0.00 0.00 66.41 64.74 2cwu h THR 216 Cb 0.78 1.14 -0.06 0.00 -1.73 0.00 0.00 68.15 68.28 2cwu h THR 216 CO 0.00 0.00 0.93 -1.10 -0.25 0.00 0.00 175.52 175.10 2cwu s GLN 217 N -3.19 3.82 0.39 4.72 -0.21 -1.26 -5.02 119.66 118.92 2cwu s GLN 217 Ca 0.06 0.82 -0.16 0.00 0.02 0.00 0.00 55.36 56.10 2cwu s GLN 217 Cb 0.13 -3.87 -0.09 0.00 1.00 0.00 0.00 33.01 30.18 2cwu s GLN 217 CO 0.72 -1.24 0.82 0.15 -2.12 0.00 0.00 175.29 173.63 2cwu s LYS 218 N 4.26 4.01 0.55 2.91 3.01 -1.26 -5.04 119.74 128.17 2cwu s LYS 218 Ca 0.50 0.77 -0.19 0.00 -1.01 0.00 0.00 55.97 56.04 2cwu s LYS 218 Cb -0.10 -2.33 -0.06 0.00 -1.01 0.00 0.00 37.83 34.33 2cwu s LYS 218 CO 0.26 0.02 1.11 -1.25 0.51 0.00 0.00 175.35 176.01 2cwu s PRO 219 N -3.33 3.37 -0.18 -1.68 0.04 -1.26 -5.04 135.00 126.92 2cwu s PRO 219 Ca 0.56 1.55 0.00 0.00 0.04 0.00 0.00 61.00 63.16 2cwu s PRO 219 Cb -0.10 -2.01 0.01 0.00 0.04 0.00 0.00 34.50 32.44 2cwu s PRO 219 CO 0.21 -0.82 -0.18 0.42 0.04 0.00 0.00 177.00 176.67 2cwu s ILE 220 N -1.86 2.28 -0.32 0.56 1.09 -1.26 -5.10 121.20 116.60 2cwu s ILE 220 Ca 0.71 -0.87 -0.11 0.00 -1.10 0.00 0.00 60.65 59.29 2cwu s ILE 220 Cb -0.22 -1.97 -0.02 0.00 -1.06 0.00 0.00 42.46 39.19 2cwu s ILE 220 CO 0.27 0.52 0.19 -0.55 -0.10 0.00 0.00 174.94 175.28 2cwu s SER 221 N 1.28 5.82 -0.28 3.58 0.15 -1.26 -5.05 113.70 117.93 2cwu s SER 221 Ca 0.04 -0.40 -0.01 0.00 0.70 0.00 0.00 55.95 56.28 2cwu s SER 221 Cb -0.13 -2.07 0.05 0.00 -1.71 0.00 0.00 66.02 62.15 2cwu s SER 221 CO -0.10 -0.19 -0.03 -0.63 1.20 0.00 0.00 173.24 173.49 2cwu s ILE 222 N 1.68 2.86 0.13 6.45 1.01 -1.26 -5.09 121.20 126.98 2cwu s ILE 222 Ca 0.06 -1.34 -0.00 0.00 0.00 0.00 0.00 60.65 59.36 2cwu s ILE 222 Cb -0.17 -2.61 -0.04 0.00 0.01 0.00 0.00 42.46 39.65 2cwu s ILE 222 CO 0.09 -0.03 0.03 0.42 0.00 0.00 0.00 174.94 175.45 2cwu s THR 223 N 1.25 0.24 -0.40 2.92 -4.23 -1.26 -4.14 115.64 110.01 2cwu s THR 223 Ca -0.05 -1.91 0.01 0.00 -1.18 0.00 0.00 61.69 58.57 2cwu s THR 223 Cb -0.19 -1.98 0.13 0.00 1.34 0.00 0.00 72.50 71.79 2cwu s THR 223 CO -0.02 -0.55 0.20 -1.10 -0.54 0.00 0.00 174.62 172.61 2cwu s GLN 224 N -4.00 1.13 0.34 3.99 -0.21 -1.26 -4.96 119.66 114.69 2cwu s GLN 224 Ca 0.22 -1.76 0.14 0.00 0.02 0.00 0.00 55.36 53.98 2cwu s GLN 224 Cb 0.07 -2.25 1.05 0.00 1.00 0.00 0.00 33.01 32.88 2cwu s GLN 224 CO 0.00 -1.11 1.68 -1.35 -2.12 0.00 0.00 175.29 172.39 2cwu h PRO 225 N 7.09 0.38 -0.55 2.91 0.11 -2.03 0.11 132.00 140.01 2cwu h PRO 225 Ca -0.04 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.05 2cwu h PRO 225 Cb 0.95 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.98 2cwu h PRO 225 CO 0.47 0.25 0.00 0.39 -0.21 0.00 0.00 178.00 178.90 2cwu n GLU 226 N -4.98 3.54 0.00 1.05 1.02 -1.26 -5.08 120.64 114.94 2cwu n GLU 226 Ca 0.30 -2.78 0.00 0.00 -0.02 0.00 0.00 57.16 54.66 2cwu n GLU 226 Cb 0.93 -1.81 0.00 0.00 -0.02 0.00 0.00 31.44 30.54 2cwu n GLU 226 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2cwu n GLY 227 N 0.80 -1.04 3.79 0.62 0.00 0.37 -4.96 105.19 104.76 2cwu n GLY 227 Ca 0.23 -1.63 -0.31 0.00 0.00 0.00 0.00 46.02 44.31 2cwu n GLY 227 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2cwu s PRO 228 N -1.16 2.65 0.00 1.61 0.04 -1.26 -4.87 135.00 132.01 2cwu s PRO 228 Ca 0.00 1.13 0.27 0.00 0.04 0.00 0.00 61.00 62.44 2cwu s PRO 228 Cb 0.00 -1.95 0.88 0.00 0.04 0.00 0.00 34.50 33.48 2cwu s PRO 228 CO 0.00 -1.33 1.67 0.43 0.04 0.00 0.00 177.00 177.81 2cwu n SER 229 N -3.10 0.36 -4.92 6.66 7.64 -1.26 -4.87 113.62 114.13 2cwu n SER 229 Ca 0.09 -0.10 -0.26 0.00 1.01 0.00 0.00 58.87 59.61 2cwu n SER 229 Cb 0.53 -0.06 -0.03 0.00 -1.01 0.00 0.00 64.21 63.64 2cwu n SER 229 CO 0.00 0.00 0.00 0.72 -3.01 0.00 0.00 175.04 172.75 2cwu s PHE 230 N -2.88 3.41 0.10 1.43 -0.12 -1.26 -4.64 117.98 114.02 2cwu s PHE 230 Ca 0.16 0.08 0.09 0.00 -0.05 0.00 0.00 56.93 57.21 2cwu s PHE 230 Cb 0.19 -1.63 -0.04 0.00 -0.63 0.00 0.00 43.02 40.91 2cwu s PHE 230 CO 0.60 0.51 -0.21 0.95 -0.05 0.00 0.00 175.22 177.02 2cwu s THR 231 N -1.77 2.62 -0.17 -4.49 -4.23 -0.54 -4.98 115.64 102.08 2cwu s THR 231 Ca 0.34 -1.51 0.01 0.00 -1.18 0.00 0.00 61.69 59.34 2cwu s THR 231 Cb -0.11 -2.16 0.03 0.00 1.34 0.00 0.00 72.50 71.60 2cwu s THR 231 CO 0.28 0.16 -0.12 -0.69 -0.54 0.00 0.00 174.62 173.70 2cwu s VAL 232 N -1.06 1.60 0.16 2.29 1.01 -1.26 -2.24 120.40 120.91 2cwu s VAL 232 Ca 0.16 -0.82 0.07 0.00 0.00 0.00 0.00 61.98 61.39 2cwu s VAL 232 Cb -0.10 -1.59 -0.04 0.00 0.00 0.00 0.00 36.38 34.64 2cwu s VAL 232 CO 0.08 0.31 -0.15 0.42 0.00 0.00 0.00 175.10 175.76 2cwu s THR 233 N 1.44 1.56 -1.97 3.92 -4.23 -0.33 -4.74 115.64 111.30 2cwu s THR 233 Ca 0.02 -1.95 0.00 0.00 -1.18 0.00 0.00 61.69 58.58 2cwu s THR 233 Cb -0.14 -1.79 0.00 0.00 1.34 0.00 0.00 72.50 71.90 2cwu s THR 233 CO -0.09 -0.48 0.00 0.61 -0.54 0.00 0.00 174.62 174.12 2cwu n GLY 234 N 0.13 0.54 3.61 3.99 0.00 -1.26 -0.60 105.19 111.60 2cwu n GLY 234 Ca -0.12 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.89 2cwu n GLY 234 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2cwu n GLY 235 N -0.76 1.21 0.31 -0.02 0.00 -1.26 -4.43 105.19 100.24 2cwu n GLY 235 Ca -0.23 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.70 2cwu n GLY 235 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2cwu n ASN 236 N 1.91 0.00 -4.64 1.61 6.94 -1.16 -5.01 115.26 114.92 2cwu n ASN 236 Ca 0.00 -1.51 -0.39 0.00 -0.02 0.00 0.00 54.58 52.65 2cwu n ASN 236 Cb 0.00 -0.10 -0.07 0.00 -2.36 0.00 0.00 39.78 37.24 2cwu n ASN 236 CO 0.00 0.00 0.00 -2.28 -1.03 0.00 0.00 177.26 173.95 2cwu s HIS 237 N 0.00 3.31 -0.10 -2.53 2.46 0.23 -1.13 115.29 117.54 2cwu s HIS 237 Ca 0.00 0.65 -0.02 0.00 0.47 0.00 0.00 55.06 56.16 2cwu s HIS 237 Cb 0.00 -2.66 -0.03 0.00 -0.13 0.00 0.00 32.58 29.75 2cwu s HIS 237 CO 0.00 -0.18 -0.00 0.42 -2.47 0.00 0.00 174.74 172.50 2cwu s ILE 238 N 1.94 4.27 -0.08 0.89 -1.09 0.78 -1.18 121.20 126.72 2cwu s ILE 238 Ca 0.21 -0.26 -0.01 0.00 -2.23 0.00 0.00 60.65 58.36 2cwu s ILE 238 Cb -0.15 -2.81 0.03 0.00 -1.58 0.00 0.00 42.46 37.95 2cwu s ILE 238 CO 0.09 0.58 -0.01 -1.61 -1.23 0.00 0.00 174.94 172.76 2cwu s GLU 239 N -0.65 0.77 -0.20 2.79 2.02 -0.95 -1.68 118.70 120.80 2cwu s GLU 239 Ca 0.10 0.04 -0.08 0.00 0.02 0.00 0.00 54.97 55.05 2cwu s GLU 239 Cb -0.12 -1.09 0.08 0.00 0.10 0.00 0.00 34.13 33.11 2cwu s GLU 239 CO 0.02 -0.30 0.45 -0.46 0.02 0.00 0.00 175.26 174.99 2cwu s TRP 240 N 1.92 -0.79 -1.32 1.61 -0.00 -0.51 -1.46 118.94 118.39 2cwu s TRP 240 Ca 0.05 1.55 -0.21 0.00 -0.00 0.00 0.00 56.10 57.48 2cwu s TRP 240 Cb -0.12 0.35 0.03 0.00 -0.00 0.00 0.00 33.47 33.72 2cwu s TRP 240 CO -0.06 -0.46 0.40 0.39 -0.00 0.00 0.00 176.95 177.23 2cwu n GLU 241 N 5.00 -0.49 0.00 5.86 -0.58 -1.26 0.10 120.64 129.27 2cwu n GLU 241 Ca -0.14 0.06 0.00 0.00 -0.42 0.00 0.00 57.16 56.66 2cwu n GLU 241 Cb 0.52 -2.80 0.00 0.00 -0.57 0.00 0.00 31.44 28.58 2cwu n GLU 241 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 2cwu n LYS 242 N -4.82 0.00 -2.89 3.49 5.02 -1.26 -4.94 118.16 112.76 2cwu n LYS 242 Ca -0.19 0.00 -0.33 0.00 -2.02 0.00 0.00 58.31 55.77 2cwu n LYS 242 Cb 0.60 -1.09 -0.07 0.00 -0.02 0.00 0.00 35.03 34.46 2cwu n LYS 242 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 2cwu s TRP 243 N -1.96 3.33 -0.03 2.13 0.52 0.11 0.39 118.94 123.44 2cwu s TRP 243 Ca 0.00 1.50 -0.01 0.00 0.02 0.00 0.00 56.10 57.60 2cwu s TRP 243 Cb 0.00 -2.76 0.03 0.00 -1.15 0.00 0.00 33.47 29.58 2cwu s TRP 243 CO 0.00 -0.07 0.07 0.45 0.02 0.00 0.00 176.95 177.42 2cwu s SER 244 N -2.24 -0.01 0.07 2.95 0.15 -0.02 -1.42 113.70 113.18 2cwu s SER 244 Ca 0.60 0.13 -0.27 0.00 0.70 0.00 0.00 55.95 57.10 2cwu s SER 244 Cb -0.09 0.05 0.08 0.00 -1.71 0.00 0.00 66.02 64.35 2cwu s SER 244 CO 0.15 -0.10 1.00 -1.48 1.20 0.00 0.00 173.24 174.00 2cwu s LEU 245 N 0.81 -0.21 -0.08 3.45 2.34 -0.67 -0.28 118.68 124.04 2cwu s LEU 245 Ca -0.06 -0.24 0.05 0.00 0.06 0.00 0.00 54.13 53.93 2cwu s LEU 245 Cb -0.09 1.98 -0.01 0.00 -0.56 0.00 0.00 46.19 47.51 2cwu s LEU 245 CO -0.03 -0.72 -0.22 -1.81 -1.06 0.00 0.00 176.35 172.51 2cwu s ASP 246 N -2.79 3.29 -0.39 1.48 1.01 0.15 -0.16 116.67 119.26 2cwu s ASP 246 Ca 0.10 -0.47 -0.16 0.00 0.71 0.00 0.00 52.55 52.74 2cwu s ASP 246 Cb -0.00 -1.07 0.01 0.00 1.01 0.00 0.00 42.92 42.86 2cwu s ASP 246 CO -0.02 0.22 0.36 -0.69 0.21 0.00 0.00 175.17 175.26 2cwu s VAL 247 N -0.03 5.17 0.43 -1.27 1.01 -0.28 -0.50 120.40 124.92 2cwu s VAL 247 Ca -0.07 -0.32 0.08 0.00 0.00 0.00 0.00 61.98 61.67 2cwu s VAL 247 Cb -0.15 -3.93 -0.01 0.00 0.00 0.00 0.00 36.38 32.30 2cwu s VAL 247 CO 0.05 -0.27 0.43 -0.83 0.00 0.00 0.00 175.10 174.47 2cwu s GLY 248 N 1.75 2.10 -0.09 4.51 0.00 0.13 -4.78 107.32 110.94 2cwu s GLY 248 Ca 0.09 -1.83 -0.05 0.00 0.00 0.00 0.00 44.72 42.93 2cwu s GLY 248 CO 0.12 -1.67 0.21 -0.12 0.00 0.00 0.00 173.10 171.64 2cwu s PHE 249 N -2.46 -0.26 -0.02 1.90 5.36 -1.26 -0.98 117.98 120.25 2cwu s PHE 249 Ca 0.49 0.66 0.05 0.00 -0.96 0.00 0.00 56.93 57.17 2cwu s PHE 249 Cb -0.04 0.01 -0.01 0.00 -0.34 0.00 0.00 43.02 42.64 2cwu s PHE 249 CO 0.29 -0.19 -0.15 0.34 -1.46 0.00 0.00 175.22 174.04 2cwu s ASP 250 N 1.04 1.82 0.53 6.13 2.15 0.02 -4.87 116.67 123.50 2cwu s ASP 250 Ca -0.08 -0.28 0.20 0.00 0.43 0.00 0.00 52.55 52.81 2cwu s ASP 250 Cb -0.09 -0.26 1.38 0.00 -0.30 0.00 0.00 42.92 43.65 2cwu s ASP 250 CO -0.06 0.18 2.15 1.62 -0.17 0.00 0.00 175.17 178.88 2cwu h VAL 251 N 4.86 0.88 0.00 1.11 3.04 -1.86 0.53 116.25 124.81 2cwu h VAL 251 Ca -0.35 0.00 -0.01 0.00 -1.01 0.00 0.00 66.70 65.33 2cwu h VAL 251 Cb 1.16 0.96 -0.00 0.00 -2.01 0.00 0.00 31.29 31.40 2cwu h VAL 251 CO 0.49 0.00 -0.16 -0.09 -1.01 0.00 0.00 177.57 176.80 2cwu h ARG 252 N 0.00 0.00 0.00 4.17 2.43 -1.90 0.79 114.38 119.88 2cwu h ARG 252 Ca 0.03 0.00 -0.09 0.00 -0.81 0.00 0.00 59.98 59.12 2cwu h ARG 252 Cb 0.13 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.67 2cwu h ARG 252 CO -0.00 0.11 -0.43 0.93 -1.51 0.00 0.00 179.97 179.08 2cwu h GLU 253 N -1.00 0.00 0.00 0.20 5.08 -1.83 -2.98 114.58 114.05 2cwu h GLU 253 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2cwu h GLU 253 Cb 0.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.49 2cwu h GLU 253 CO -0.01 0.40 0.00 0.41 -1.00 0.00 0.00 179.01 178.81 2cwu n GLY 254 N 1.20 0.59 3.71 -3.84 0.00 0.18 -4.64 105.19 102.39 2cwu n GLY 254 Ca 0.02 -1.27 -0.42 0.00 0.00 0.00 0.00 46.02 44.35 2cwu n GLY 254 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2cwu s VAL 255 N 0.00 3.07 -0.06 1.61 1.01 -1.26 -0.80 120.40 123.98 2cwu s VAL 255 Ca 0.00 0.73 0.04 0.00 0.00 0.00 0.00 61.98 62.75 2cwu s VAL 255 Cb 0.00 -3.47 0.00 0.00 0.00 0.00 0.00 36.38 32.91 2cwu s VAL 255 CO 0.00 0.05 -0.17 -0.69 0.00 0.00 0.00 175.10 174.28 2cwu s VAL 256 N 1.36 1.49 -0.19 2.92 1.01 -0.16 -4.68 120.40 122.16 2cwu s VAL 256 Ca 0.67 -0.72 -0.11 0.00 0.00 0.00 0.00 61.98 61.82 2cwu s VAL 256 Cb -0.39 -1.30 -0.05 0.00 0.00 0.00 0.00 36.38 34.64 2cwu s VAL 256 CO 0.30 0.43 0.18 -0.76 0.00 0.00 0.00 175.10 175.25 2cwu s LEU 257 N 0.23 4.22 0.07 3.92 1.43 -0.27 0.19 118.68 128.47 2cwu s LEU 257 Ca -0.09 0.31 0.08 0.00 -1.03 0.00 0.00 54.13 53.40 2cwu s LEU 257 Cb -0.14 -2.17 -0.03 0.00 0.03 0.00 0.00 46.19 43.88 2cwu s LEU 257 CO 0.04 0.16 -0.20 -1.00 0.23 0.00 0.00 176.35 175.58 2cwu s HIS 258 N 0.39 2.51 -1.42 0.29 3.76 0.34 -0.47 115.29 120.68 2cwu s HIS 258 Ca 0.10 -0.28 -0.00 0.00 -0.15 0.00 0.00 55.06 54.73 2cwu s HIS 258 Cb -0.12 -1.40 0.00 0.00 1.11 0.00 0.00 32.58 32.17 2cwu s HIS 258 CO -0.00 0.29 0.37 0.09 -0.85 0.00 0.00 174.74 174.64 2cwu n ASN 259 N 1.28 -0.17 -4.66 1.40 3.02 -0.05 -0.67 115.26 115.40 2cwu n ASN 259 Ca -0.16 -1.04 -0.42 0.00 -0.03 0.00 0.00 54.58 52.93 2cwu n ASN 259 Cb 0.52 -2.89 -0.03 0.00 -0.61 0.00 0.00 39.78 36.78 2cwu n ASN 259 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2cwu s ILE 260 N -4.01 3.70 0.08 2.41 1.01 0.34 -4.04 121.20 120.69 2cwu s ILE 260 Ca 0.01 0.86 -0.02 0.00 0.00 0.00 0.00 60.65 61.50 2cwu s ILE 260 Cb -0.00 -3.56 -0.04 0.00 0.01 0.00 0.00 42.46 38.87 2cwu s ILE 260 CO 0.90 -0.07 0.02 0.00 0.00 0.00 0.00 174.94 175.79 2cwu s ALA 261 N 3.86 0.53 -0.08 9.38 0.00 0.62 -0.96 121.76 135.11 2cwu s ALA 261 Ca 0.70 -1.22 0.02 0.00 0.00 0.00 0.00 51.96 51.45 2cwu s ALA 261 Cb -0.31 0.46 0.02 0.00 0.00 0.00 0.00 23.12 23.28 2cwu s ALA 261 CO 0.27 -0.42 -0.11 0.12 0.00 0.00 0.00 175.76 175.61 2cwu s PHE 262 N -3.95 1.48 -0.70 0.00 2.19 0.27 -0.84 117.98 116.44 2cwu s PHE 262 Ca 0.12 -0.59 -0.27 0.00 0.33 0.00 0.00 56.93 56.51 2cwu s PHE 262 Cb 0.07 -1.11 0.03 0.00 -1.31 0.00 0.00 43.02 40.70 2cwu s PHE 262 CO -0.07 -0.33 1.30 0.50 1.83 0.00 0.00 175.22 178.45 2cwu s ARG 263 N 0.88 3.23 -0.54 10.12 6.06 0.16 -0.92 118.95 137.94 2cwu s ARG 263 Ca -0.11 -0.09 -0.10 0.00 -2.50 0.00 0.00 55.73 52.94 2cwu s ARG 263 Cb -0.15 -4.16 0.14 0.00 0.06 0.00 0.00 34.95 30.84 2cwu s ARG 263 CO 0.01 -2.08 0.43 0.34 -2.50 0.00 0.00 175.30 171.50 2cwu s ASP 264 N 3.83 5.86 1.30 -2.12 2.15 -0.35 -4.89 116.67 122.45 2cwu s ASP 264 Ca 0.39 -2.09 0.00 0.00 0.43 0.00 0.00 52.55 51.27 2cwu s ASP 264 Cb -0.08 -2.05 0.00 0.00 -0.30 0.00 0.00 42.92 40.49 2cwu s ASP 264 CO 0.18 -0.67 0.00 0.61 -0.17 0.00 0.00 175.17 175.12 2cwu n GLY 265 N 4.69 2.65 0.83 2.66 0.00 -1.26 -2.74 105.19 112.01 2cwu n GLY 265 Ca -0.04 -0.32 0.12 0.00 0.00 0.00 0.00 46.02 45.78 2cwu n GLY 265 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2cwu n ASP 266 N 8.61 2.54 -4.24 1.61 5.75 -1.26 -4.93 116.55 124.63 2cwu n ASP 266 Ca 0.00 -1.84 -0.28 0.00 -0.01 0.00 0.00 54.79 52.66 2cwu n ASP 266 Cb 0.00 -0.06 -0.16 0.00 -1.03 0.00 0.00 41.12 39.87 2cwu n ASP 266 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2cwu s ARG 267 N -1.87 1.83 -0.41 0.11 1.70 -1.11 -5.09 118.95 114.12 2cwu s ARG 267 Ca 0.33 -0.78 -0.25 0.00 -0.47 0.00 0.00 55.73 54.57 2cwu s ARG 267 Cb 0.20 -1.74 0.02 0.00 -0.57 0.00 0.00 34.95 32.87 2cwu s ARG 267 CO 0.31 0.45 0.87 -1.17 -1.08 0.00 0.00 175.30 174.67 2cwu s LEU 268 N -0.45 4.07 -0.30 -1.89 2.96 -1.26 -1.21 118.68 120.59 2cwu s LEU 268 Ca 0.07 0.28 -0.11 0.00 -0.22 0.00 0.00 54.13 54.15 2cwu s LEU 268 Cb -0.09 -3.13 -0.03 0.00 0.50 0.00 0.00 46.19 43.44 2cwu s LEU 268 CO -0.00 -0.89 0.18 -0.13 -1.32 0.00 0.00 176.35 174.19 2cwu s ARG 269 N 3.43 3.65 0.61 1.98 0.52 -0.09 -4.90 118.95 124.15 2cwu s ARG 269 Ca 0.35 -0.52 -0.17 0.00 -0.52 0.00 0.00 55.73 54.86 2cwu s ARG 269 Cb -0.12 -3.64 -0.02 0.00 0.52 0.00 0.00 34.95 31.69 2cwu s ARG 269 CO 0.21 -0.31 1.14 -1.25 0.02 0.00 0.00 175.30 175.11 2cwu s PRO 270 N 1.70 2.99 0.11 3.54 0.04 -1.26 -0.56 135.00 141.55 2cwu s PRO 270 Ca 0.06 1.57 0.00 0.00 0.04 0.00 0.00 61.00 62.67 2cwu s PRO 270 Cb -0.17 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 32.42 2cwu s PRO 270 CO 0.09 -1.13 0.00 -0.89 0.04 0.00 0.00 177.00 175.11 2cwu n ILE 271 N -1.89 0.38 -4.03 0.56 5.41 -0.13 -0.61 119.36 119.04 2cwu n ILE 271 Ca 0.12 0.12 -0.23 0.00 1.00 0.00 0.00 62.75 63.76 2cwu n ILE 271 Cb 0.51 -1.07 -0.17 0.00 -0.71 0.00 0.00 39.64 38.20 2cwu n ILE 271 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 2cwu s ILE 272 N -2.00 0.66 0.11 1.39 1.01 -1.03 -1.32 121.20 120.02 2cwu s ILE 272 Ca 0.00 -0.12 -0.13 0.00 0.00 0.00 0.00 60.65 60.40 2cwu s ILE 272 Cb 0.00 -0.71 -0.11 0.00 0.01 0.00 0.00 42.46 41.65 2cwu s ILE 272 CO 0.00 0.28 1.37 -1.13 0.00 0.00 0.00 174.94 175.46 2cwu h ASN 273 N 7.74 0.92 -3.18 3.58 -0.00 -1.04 0.99 115.58 124.58 2cwu h ASN 273 Ca -0.30 -0.55 -0.08 0.00 -0.00 0.00 0.00 56.30 55.37 2cwu h ASN 273 Cb 1.14 -0.27 -0.25 0.00 -0.00 0.00 0.00 38.32 38.95 2cwu h ASN 273 CO 0.39 1.31 -0.21 -0.60 -0.00 0.00 0.00 177.43 178.32 2cwu s ARG 274 N -4.05 0.48 -0.07 6.67 3.52 -1.07 -0.87 118.95 123.57 2cwu s ARG 274 Ca -0.11 0.90 0.02 0.00 -0.13 0.00 0.00 55.73 56.42 2cwu s ARG 274 Cb 0.09 0.03 0.01 0.00 -1.56 0.00 0.00 34.95 33.52 2cwu s ARG 274 CO 0.88 -0.15 -0.13 0.00 -0.81 0.00 0.00 175.30 175.09 2cwu s ALA 275 N 1.43 1.29 0.22 6.12 0.00 0.38 -0.63 121.76 130.58 2cwu s ALA 275 Ca -0.09 -0.44 -0.21 0.00 0.00 0.00 0.00 51.96 51.21 2cwu s ALA 275 Cb -0.07 -0.57 0.04 0.00 0.00 0.00 0.00 23.12 22.52 2cwu s ALA 275 CO -0.14 0.13 0.65 -1.54 0.00 0.00 0.00 175.76 174.85 2cwu s SER 276 N 0.63 -0.38 -0.53 0.00 1.04 -0.91 -1.12 113.70 112.43 2cwu s SER 276 Ca -0.14 -0.36 -0.17 0.00 0.48 0.00 0.00 55.95 55.76 2cwu s SER 276 Cb -0.16 0.66 0.11 0.00 0.10 0.00 0.00 66.02 66.73 2cwu s SER 276 CO 0.04 -1.16 0.51 -0.63 0.98 0.00 0.00 173.24 172.98 2cwu s ILE 277 N -3.85 5.14 -1.22 -1.02 1.09 -1.26 -0.25 121.20 119.82 2cwu s ILE 277 Ca 0.07 -1.25 0.29 0.00 -1.10 0.00 0.00 60.65 58.66 2cwu s ILE 277 Cb -0.03 -4.31 0.37 0.00 -1.06 0.00 0.00 42.46 37.43 2cwu s ILE 277 CO -0.02 -0.83 1.97 0.00 -0.10 0.00 0.00 174.94 175.95 2cwu n ALA 278 N 5.46 2.46 -3.60 9.38 0.00 0.53 -4.71 120.51 130.03 2cwu n ALA 278 Ca -0.12 -0.14 -0.06 0.00 0.00 0.00 0.00 53.44 53.13 2cwu n ALA 278 Cb 0.42 -1.46 -0.03 0.00 0.00 0.00 0.00 19.45 18.37 2cwu n ALA 278 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2cwu s GLU 279 N -2.78 0.35 -0.25 0.00 2.56 -1.21 -4.53 118.70 112.83 2cwu s GLU 279 Ca 0.21 -0.03 -0.14 0.00 0.00 0.00 0.00 54.97 55.02 2cwu s GLU 279 Cb 0.20 0.16 0.08 0.00 2.00 0.00 0.00 34.13 36.56 2cwu s GLU 279 CO 0.50 -0.13 0.60 0.00 -0.56 0.00 0.00 175.26 175.67 2cwu s MET 280 N -1.77 0.60 0.07 4.30 0.23 -1.26 -0.84 119.30 120.63 2cwu s MET 280 Ca 0.06 1.12 0.05 0.00 -1.03 0.00 0.00 55.69 55.89 2cwu s MET 280 Cb -0.01 0.14 -0.03 0.00 -1.53 0.00 0.00 34.83 33.40 2cwu s MET 280 CO -0.04 -0.16 -0.14 0.54 -2.03 0.00 0.00 175.02 173.19 2cwu s VAL 281 N 1.67 1.13 -0.51 5.16 0.11 0.37 -1.77 120.40 126.57 2cwu s VAL 281 Ca -0.09 -1.27 0.04 0.00 -2.93 0.00 0.00 61.98 57.72 2cwu s VAL 281 Cb -0.07 -1.08 0.13 0.00 -1.53 0.00 0.00 36.38 33.84 2cwu s VAL 281 CO -0.18 -0.19 0.27 -0.69 -3.33 0.00 0.00 175.10 170.98 2cwu s VAL 282 N -1.21 2.25 0.08 2.04 1.01 -0.31 -0.81 120.40 123.45 2cwu s VAL 282 Ca -0.01 -3.15 -0.26 0.00 0.00 0.00 0.00 61.98 58.55 2cwu s VAL 282 Cb -0.10 -2.56 -0.06 0.00 0.00 0.00 0.00 36.38 33.66 2cwu s VAL 282 CO 0.02 -0.84 0.82 -2.16 0.00 0.00 0.00 175.10 172.95 2cwu s PRO 283 N -0.17 4.57 -0.11 2.72 0.04 -1.19 -2.43 135.00 138.43 2cwu s PRO 283 Ca 0.18 1.19 -0.07 0.00 0.04 0.00 0.00 61.00 62.34 2cwu s PRO 283 Cb -0.24 -3.35 -0.04 0.00 0.04 0.00 0.00 34.50 30.91 2cwu s PRO 283 CO -0.01 0.31 0.15 0.71 0.04 0.00 0.00 177.00 178.20 2cwu s TYR 284 N -0.21 3.60 -0.39 0.56 1.51 -0.91 -1.72 117.35 119.79 2cwu s TYR 284 Ca 0.40 0.53 0.06 0.00 -1.01 0.00 0.00 57.07 57.05 2cwu s TYR 284 Cb -0.22 -1.94 0.55 0.00 -0.11 0.00 0.00 41.96 40.25 2cwu s TYR 284 CO 0.25 0.73 1.67 0.41 -1.11 0.00 0.00 175.55 177.51 2cwu n GLY 285 N 1.93 5.00 3.57 0.71 0.00 0.60 -4.90 105.19 112.10 2cwu n GLY 285 Ca -0.19 -1.41 -0.39 0.00 0.00 0.00 0.00 46.02 44.02 2cwu n GLY 285 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2cwu s ASP 286 N -2.12 6.06 0.00 1.61 2.15 -1.26 -4.79 116.67 118.32 2cwu s ASP 286 Ca 0.52 -0.14 0.18 0.00 0.43 0.00 0.00 52.55 53.54 2cwu s ASP 286 Cb 0.45 -2.14 0.93 0.00 -0.30 0.00 0.00 42.92 41.86 2cwu s ASP 286 CO 0.04 -0.14 1.51 -0.81 -0.17 0.00 0.00 175.17 175.60 2cwu n PRO 287 N 5.12 0.33 -1.72 4.34 -0.04 -1.26 -3.43 135.00 138.33 2cwu n PRO 287 Ca -0.13 0.09 -0.43 0.00 -0.04 0.00 0.00 63.50 63.00 2cwu n PRO 287 Cb 0.51 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.45 2cwu n PRO 287 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2cwu n SER 288 N -1.22 3.43 0.31 3.54 2.88 -1.26 -4.68 113.62 116.62 2cwu n SER 288 Ca 0.10 1.16 0.19 0.00 -1.33 0.00 0.00 58.87 58.99 2cwu n SER 288 Cb 0.12 -1.54 1.04 0.00 -0.75 0.00 0.00 64.21 63.08 2cwu n SER 288 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 2cwu h PRO 289 N 4.11 0.00 0.00 -1.46 0.11 -1.99 0.29 132.00 133.06 2cwu h PRO 289 Ca -0.47 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.57 2cwu h PRO 289 Cb 1.25 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.35 2cwu h PRO 289 CO 0.74 0.00 -0.35 0.82 -0.21 0.00 0.00 178.00 179.00 2cwu h ILE 290 N 0.00 1.12 0.00 4.15 5.03 -1.94 -3.36 117.51 122.51 2cwu h ILE 290 Ca 0.01 -1.27 0.00 0.00 -0.12 0.00 0.00 64.86 63.48 2cwu h ILE 290 Cb 0.11 1.71 0.00 0.00 -3.03 0.00 0.00 36.82 35.61 2cwu h ILE 290 CO -0.00 0.35 0.00 0.54 -0.68 0.00 0.00 178.15 178.36 2cwu n ARG 291 N -3.93 -0.03 0.08 2.37 1.74 -0.62 -4.85 116.66 111.42 2cwu n ARG 291 Ca -0.02 -0.15 0.06 0.00 -0.77 0.00 0.00 57.85 56.97 2cwu n ARG 291 Cb 0.41 -0.62 0.32 0.00 -1.02 0.00 0.00 32.46 31.55 2cwu n ARG 291 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 2cwu n SER 292 N -0.04 0.29 -0.25 0.55 3.41 0.92 -1.23 113.62 117.28 2cwu n SER 292 Ca 0.00 0.62 0.11 0.00 -0.26 0.00 0.00 58.87 59.35 2cwu n SER 292 Cb 0.14 -0.67 0.09 0.00 -0.26 0.00 0.00 64.21 63.52 2cwu n SER 292 CO 0.00 0.00 0.00 -2.67 -0.16 0.00 0.00 175.04 172.21 2cwu n TRP 293 N -1.88 0.00 -2.27 7.33 4.27 -1.26 -4.95 117.44 118.68 2cwu n TRP 293 Ca -0.00 0.00 -0.43 0.00 -3.89 0.00 0.00 57.50 53.18 2cwu n TRP 293 Cb 0.05 -0.06 -0.02 0.00 -1.36 0.00 0.00 31.31 29.92 2cwu n TRP 293 CO 0.00 0.00 0.00 -1.14 -2.29 0.00 0.00 177.69 174.26 2cwu s GLN 294 N -2.68 3.70 -0.27 -2.67 0.74 -0.36 -4.77 119.66 113.36 2cwu s GLN 294 Ca 0.16 1.28 -0.01 0.00 0.05 0.00 0.00 55.36 56.84 2cwu s GLN 294 Cb 0.18 -4.01 0.14 0.00 1.10 0.00 0.00 33.01 30.43 2cwu s GLN 294 CO 0.65 -1.40 0.38 -0.80 -0.55 0.00 0.00 175.29 173.58 2cwu s ASN 295 N 3.93 0.43 -0.39 6.67 0.01 -1.26 -2.13 114.94 122.20 2cwu s ASN 295 Ca 0.65 -0.10 -0.15 0.00 -0.71 0.00 0.00 52.86 52.55 2cwu s ASN 295 Cb -0.19 1.05 0.01 0.00 0.41 0.00 0.00 41.25 42.54 2cwu s ASN 295 CO 0.29 -0.33 0.30 -0.47 -1.51 0.00 0.00 177.10 175.38 2cwu s TYR 296 N 2.53 3.23 -0.91 2.20 5.04 -1.02 -4.86 117.35 123.56 2cwu s TYR 296 Ca 0.11 -0.46 -0.19 0.00 -2.44 0.00 0.00 57.07 54.09 2cwu s TYR 296 Cb -0.14 -2.59 0.13 0.00 0.35 0.00 0.00 41.96 39.71 2cwu s TYR 296 CO -0.23 -0.53 1.12 -0.06 -1.34 0.00 0.00 175.55 174.50 2cwu s PHE 297 N 1.74 3.08 0.20 4.97 0.40 -1.26 -1.17 117.98 125.93 2cwu s PHE 297 Ca 0.06 -1.32 -0.12 0.00 -0.60 0.00 0.00 56.93 54.95 2cwu s PHE 297 Cb -0.18 -4.29 0.24 0.00 0.51 0.00 0.00 43.02 39.30 2cwu s PHE 297 CO 0.10 -1.50 1.70 0.00 0.70 0.00 0.00 175.22 176.22 2cwu h ALA 298 N 8.90 0.59 0.32 5.36 0.00 -1.73 0.41 119.26 133.11 2cwu h ALA 298 Ca 0.12 0.14 -0.02 0.00 0.00 0.00 0.00 54.91 55.15 2cwu h ALA 298 Cb 1.03 0.21 0.00 0.00 0.00 0.00 0.00 17.79 19.03 2cwu h ALA 298 CO 1.12 -0.34 -0.15 1.15 0.00 0.00 0.00 179.25 181.02 2cwu h THR 299 N 0.19 0.14 -0.41 0.00 2.02 -1.86 -0.13 112.91 112.86 2cwu h THR 299 Ca 0.28 -0.74 -0.14 0.00 0.77 0.00 0.00 66.41 66.58 2cwu h THR 299 Cb 0.42 0.23 -0.01 0.00 -1.74 0.00 0.00 68.15 67.05 2cwu h THR 299 CO -0.40 0.04 -0.31 1.23 0.37 0.00 0.00 175.52 176.44 2cwu h GLY 300 N -1.08 1.00 0.57 2.16 0.00 -1.82 -2.31 103.07 101.58 2cwu h GLY 300 Ca -0.04 -0.95 -0.36 0.00 0.00 0.00 0.00 47.33 45.97 2cwu h GLY 300 CO 0.07 0.86 -2.03 1.18 0.00 0.00 0.00 176.54 176.62 2cwu n GLU 301 N -4.08 0.73 -0.03 4.80 1.02 0.11 -4.52 120.64 118.68 2cwu n GLU 301 Ca -0.01 0.25 0.04 0.00 -0.02 0.00 0.00 57.16 57.42 2cwu n GLU 301 Cb 0.50 -1.69 -0.15 0.00 -0.02 0.00 0.00 31.44 30.08 2cwu n GLU 301 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 2cwu n TYR 302 N -3.40 0.00 -2.03 -0.32 4.02 -1.08 -1.24 117.16 113.11 2cwu n TYR 302 Ca -0.32 0.00 -0.01 0.00 -0.01 0.00 0.00 57.90 57.56 2cwu n TYR 302 Cb 1.04 -0.58 0.00 0.00 -0.02 0.00 0.00 39.34 39.79 2cwu n TYR 302 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 2cwu n LEU 303 N -2.32 -4.58 -0.09 7.72 4.77 -0.07 -4.84 117.00 117.59 2cwu n LEU 303 Ca -0.11 0.53 0.07 0.00 -0.03 0.00 0.00 56.01 56.47 2cwu n LEU 303 Cb 0.68 -2.02 0.42 0.00 -2.33 0.00 0.00 43.42 40.18 2cwu n LEU 303 CO 0.40 -1.31 1.19 -0.37 -1.33 0.00 0.00 177.39 175.97 2cwu h VAL 304 N 1.21 1.02 -0.48 4.08 -1.51 -1.36 -2.60 116.25 116.62 2cwu h VAL 304 Ca 0.00 -0.20 0.01 0.00 -1.23 0.00 0.00 66.70 65.28 2cwu h VAL 304 Cb 0.09 0.38 -0.02 0.00 -2.13 0.00 0.00 31.29 29.61 2cwu h VAL 304 CO 0.05 0.11 0.32 1.23 -1.23 0.00 0.00 177.57 178.04 2cwu h GLY 305 N 0.58 0.66 1.41 5.19 0.00 -0.92 -2.03 103.07 107.96 2cwu h GLY 305 Ca 0.24 -0.25 0.06 0.00 0.00 0.00 0.00 47.33 47.39 2cwu h GLY 305 CO -0.07 0.24 0.26 -1.61 0.00 0.00 0.00 176.54 175.36 2cwu h GLN 306 N 0.64 0.24 -0.50 4.80 4.15 -1.01 -2.45 115.11 120.97 2cwu h GLN 306 Ca 0.18 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.58 2cwu h GLN 306 Cb -0.06 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 27.57 2cwu h GLN 306 CO -0.04 0.16 0.00 0.66 -1.93 0.00 0.00 178.83 177.68 2cwu n TYR 307 N -4.47 1.66 -1.72 3.99 4.01 -0.77 -4.99 117.16 114.86 2cwu n TYR 307 Ca 0.05 -0.74 -0.42 0.00 -0.16 0.00 0.00 57.90 56.62 2cwu n TYR 307 Cb 0.27 -0.41 -0.02 0.00 -0.31 0.00 0.00 39.34 38.87 2cwu n TYR 307 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2cwu n ALA 308 N 0.42 2.32 -1.82 -0.72 0.00 -0.92 -2.69 120.51 117.10 2cwu n ALA 308 Ca 0.25 0.39 -0.32 0.00 0.00 0.00 0.00 53.44 53.76 2cwu n ALA 308 Cb 1.05 -2.44 -0.03 0.00 0.00 0.00 0.00 19.45 18.04 2cwu n ALA 308 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2cwu s ASN 309 N 0.61 6.49 -0.23 0.00 0.02 0.21 -4.96 114.94 117.08 2cwu s ASN 309 Ca 0.68 1.60 -0.26 0.00 -1.02 0.00 0.00 52.86 53.86 2cwu s ASN 309 Cb -0.53 -2.51 -0.00 0.00 0.02 0.00 0.00 41.25 38.22 2cwu s ASN 309 CO 0.45 -0.68 0.87 -0.44 0.02 0.00 0.00 177.10 177.32 2cwu s SER 310 N -3.05 6.91 -0.13 -1.22 0.01 -1.26 -4.31 113.70 110.65 2cwu s SER 310 Ca 0.60 1.13 -0.22 0.00 1.31 0.00 0.00 55.95 58.76 2cwu s SER 310 Cb -0.11 -2.46 -0.03 0.00 0.21 0.00 0.00 66.02 63.63 2cwu s SER 310 CO 0.33 -0.52 0.68 -0.76 0.41 0.00 0.00 173.24 173.37 2cwu s LEU 311 N 2.77 4.24 -0.02 2.44 1.43 -0.18 -5.00 118.68 124.36 2cwu s LEU 311 Ca 0.37 1.05 -0.21 0.00 -1.03 0.00 0.00 54.13 54.31 2cwu s LEU 311 Cb -0.15 -3.01 -0.05 0.00 0.03 0.00 0.00 46.19 43.00 2cwu s LEU 311 CO 0.08 -0.20 0.60 -1.61 0.23 0.00 0.00 176.35 175.45 2cwu s GLU 312 N 1.34 4.33 0.31 1.70 0.41 -1.26 -4.91 118.70 120.62 2cwu s GLU 312 Ca 0.34 0.72 -0.29 0.00 -0.41 0.00 0.00 54.97 55.33 2cwu s GLU 312 Cb -0.17 -3.37 -0.10 0.00 -1.78 0.00 0.00 34.13 28.71 2cwu s GLU 312 CO 0.14 0.30 1.41 -1.17 -0.49 0.00 0.00 175.26 175.46 2cwu s LEU 313 N 0.03 4.38 0.00 1.80 2.96 -1.26 -0.66 118.68 125.93 2cwu s LEU 313 Ca 0.31 2.78 0.00 0.00 -0.22 0.00 0.00 54.13 57.01 2cwu s LEU 313 Cb -0.18 -3.64 0.00 0.00 0.50 0.00 0.00 46.19 42.87 2cwu s LEU 313 CO 0.17 -0.70 0.00 0.61 -1.32 0.00 0.00 176.35 175.11 2cwu n GLY 314 N 1.29 2.82 0.26 7.98 0.00 -0.60 -4.72 105.19 112.23 2cwu n GLY 314 Ca 0.03 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.98 2cwu n GLY 314 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2cwu h ASP 316 N -0.73 0.53 -3.31 0.00 3.32 -1.17 -3.45 116.42 111.61 2cwu h ASP 316 Ca 0.00 -0.91 -0.56 0.00 0.02 0.00 0.00 57.03 55.58 2cwu h ASP 316 Cb 0.73 -0.17 -0.37 0.00 0.22 0.00 0.00 39.33 39.73 2cwu h ASP 316 CO 0.00 1.69 -0.80 0.00 -1.72 0.00 0.00 179.24 178.42 2cwu s LEU 318 N 1.61 4.16 0.00 0.00 2.96 -1.26 -1.55 118.68 124.60 2cwu s LEU 318 Ca 0.01 0.38 0.00 0.00 -0.22 0.00 0.00 54.13 54.30 2cwu s LEU 318 Cb -0.15 -2.00 0.00 0.00 0.50 0.00 0.00 46.19 44.54 2cwu s LEU 318 CO -0.08 0.40 0.00 0.61 -1.32 0.00 0.00 176.35 175.96 2cwu n GLY 319 N 2.04 -0.48 3.47 7.98 0.00 -1.26 -4.85 105.19 112.09 2cwu n GLY 319 Ca -0.20 -2.08 -0.43 0.00 0.00 0.00 0.00 46.02 43.32 2cwu n GLY 319 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2cwu s ASP 320 N -4.00 6.28 -0.11 1.61 -1.08 -1.26 -4.92 116.67 113.19 2cwu s ASP 320 Ca 0.00 -1.18 -0.05 0.00 -0.52 0.00 0.00 52.55 50.80 2cwu s ASP 320 Cb 0.00 -2.44 -0.04 0.00 -1.46 0.00 0.00 42.92 38.99 2cwu s ASP 320 CO 0.00 -1.41 0.08 -0.63 0.52 0.00 0.00 175.17 173.73 2cwu s ILE 321 N 4.00 4.98 -0.20 4.11 1.09 -1.26 -4.65 121.20 129.27 2cwu s ILE 321 Ca 0.27 0.01 -0.03 0.00 -1.10 0.00 0.00 60.65 59.80 2cwu s ILE 321 Cb -0.13 -3.14 -0.01 0.00 -1.06 0.00 0.00 42.46 38.12 2cwu s ILE 321 CO 0.06 0.61 -0.07 -0.89 -0.10 0.00 0.00 174.94 174.55 2cwu s THR 322 N -0.91 3.27 0.15 2.92 2.01 -0.05 -4.97 115.64 118.06 2cwu s THR 322 Ca 0.14 -0.54 0.01 0.00 0.31 0.00 0.00 61.69 61.61 2cwu s THR 322 Cb -0.12 -2.46 -0.04 0.00 0.01 0.00 0.00 72.50 69.89 2cwu s THR 322 CO 0.03 0.45 0.30 -0.31 -0.69 0.00 0.00 174.62 174.40 2cwu s TYR 323 N 1.25 3.49 0.01 4.92 2.02 -1.26 -1.31 117.35 126.47 2cwu s TYR 323 Ca 0.03 0.21 0.07 0.00 -0.37 0.00 0.00 57.07 57.01 2cwu s TYR 323 Cb -0.14 -1.74 -0.02 0.00 -0.40 0.00 0.00 41.96 39.66 2cwu s TYR 323 CO -0.02 0.49 -0.21 -0.51 -1.57 0.00 0.00 175.55 173.73 2cwu s LEU 324 N -3.11 2.10 -0.61 -1.29 1.43 -0.62 -5.01 118.68 111.57 2cwu s LEU 324 Ca 0.36 -0.44 0.04 0.00 -1.03 0.00 0.00 54.13 53.06 2cwu s LEU 324 Cb -0.11 -1.03 0.16 0.00 0.03 0.00 0.00 46.19 45.23 2cwu s LEU 324 CO 0.28 0.21 0.41 -0.44 0.23 0.00 0.00 176.35 177.04 2cwu s SER 325 N -0.80 4.17 0.70 2.29 0.01 -1.26 -2.26 113.70 116.55 2cwu s SER 325 Ca 0.08 -3.47 -0.16 0.00 1.31 0.00 0.00 55.95 53.71 2cwu s SER 325 Cb -0.08 -1.41 0.02 0.00 0.21 0.00 0.00 66.02 64.76 2cwu s SER 325 CO 0.00 -0.14 1.22 -2.16 0.41 0.00 0.00 173.24 172.58 2cwu s PRO 326 N -0.86 2.28 -0.06 12.44 0.04 -1.25 -4.59 135.00 143.00 2cwu s PRO 326 Ca 0.24 1.83 0.04 0.00 0.04 0.00 0.00 61.00 63.14 2cwu s PRO 326 Cb -0.09 -1.84 -0.02 0.00 0.04 0.00 0.00 34.50 32.58 2cwu s PRO 326 CO -0.12 -1.75 -0.17 0.08 0.04 0.00 0.00 177.00 175.09 2cwu s VAL 327 N -1.84 2.84 0.33 -0.36 1.01 -1.26 -0.81 120.40 120.32 2cwu s VAL 327 Ca 0.76 -0.79 0.03 0.00 0.00 0.00 0.00 61.98 61.98 2cwu s VAL 327 Cb -0.31 -2.11 -0.05 0.00 0.00 0.00 0.00 36.38 33.92 2cwu s VAL 327 CO 0.43 0.58 0.10 0.27 0.00 0.00 0.00 175.10 176.48 2cwu s ILE 328 N -0.49 0.78 0.19 2.22 -0.00 -0.00 -4.84 121.20 119.06 2cwu s ILE 328 Ca 0.06 -2.00 -0.07 0.00 -0.00 0.00 0.00 60.65 58.65 2cwu s ILE 328 Cb -0.12 -2.60 -0.06 0.00 -0.00 0.00 0.00 42.46 39.68 2cwu s ILE 328 CO 0.01 0.00 0.46 -0.55 -0.00 0.00 0.00 174.94 174.86 2cwu s SER 329 N -3.47 6.54 0.58 4.36 0.15 -1.26 -0.04 113.70 120.56 2cwu s SER 329 Ca 0.33 0.72 0.00 0.00 0.70 0.00 0.00 55.95 57.70 2cwu s SER 329 Cb 0.06 -2.14 0.09 0.00 -1.71 0.00 0.00 66.02 62.32 2cwu s SER 329 CO 0.15 -0.02 0.62 -0.90 1.20 0.00 0.00 173.24 174.29 2cwu n ASP 330 N -0.10 0.89 0.07 5.45 3.85 0.08 -4.85 116.55 121.94 2cwu n ASP 330 Ca -0.01 -1.73 0.07 0.00 -0.71 0.00 0.00 54.79 52.40 2cwu n ASP 330 Cb 0.52 -0.39 0.33 0.00 -1.35 0.00 0.00 41.12 40.22 2cwu n ASP 330 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 2cwu n ALA 331 N -2.91 1.24 0.45 2.12 0.00 -1.26 -2.24 120.51 117.90 2cwu n ALA 331 Ca -0.10 0.07 0.06 0.00 0.00 0.00 0.00 53.44 53.47 2cwu n ALA 331 Cb 0.37 -1.21 0.06 0.00 0.00 0.00 0.00 19.45 18.67 2cwu n ALA 331 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2cwu n PHE 332 N -1.87 0.05 -0.23 0.00 3.72 -1.26 -0.50 117.46 117.36 2cwu n PHE 332 Ca 0.00 -0.05 0.00 0.00 -0.05 0.00 0.00 57.45 57.36 2cwu n PHE 332 Cb 0.08 -0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.62 2cwu n PHE 332 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2cwu n GLY 333 N 0.69 0.69 3.80 1.37 0.00 -0.95 -4.91 105.19 105.87 2cwu n GLY 333 Ca 0.08 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.73 2cwu n GLY 333 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2cwu s ASN 334 N -2.73 7.17 0.31 1.61 0.01 -1.26 -4.41 114.94 115.63 2cwu s ASN 334 Ca 0.00 1.54 -0.28 0.00 -0.71 0.00 0.00 52.86 53.41 2cwu s ASN 334 Cb 0.00 -2.47 -0.09 0.00 0.41 0.00 0.00 41.25 39.10 2cwu s ASN 334 CO 0.00 0.04 1.10 -2.16 -1.51 0.00 0.00 177.10 174.56 2cwu s PRO 335 N -1.87 4.51 -0.05 -0.60 0.04 -1.26 -0.74 135.00 135.03 2cwu s PRO 335 Ca 0.43 1.76 0.01 0.00 0.04 0.00 0.00 61.00 63.24 2cwu s PRO 335 Cb -0.18 -3.03 0.02 0.00 0.04 0.00 0.00 34.50 31.35 2cwu s PRO 335 CO 0.22 0.10 -0.04 0.50 0.04 0.00 0.00 177.00 177.83 2cwu s ARG 336 N -1.71 0.84 -0.02 4.56 3.52 0.94 -4.88 118.95 122.20 2cwu s ARG 336 Ca 0.48 -0.08 -0.17 0.00 -0.13 0.00 0.00 55.73 55.83 2cwu s ARG 336 Cb -0.30 -0.91 -0.05 0.00 -1.56 0.00 0.00 34.95 32.13 2cwu s ARG 336 CO 0.39 -0.13 0.47 -2.00 -0.81 0.00 0.00 175.30 173.22 2cwu s GLU 337 N 1.13 4.14 -0.75 5.12 2.12 -1.26 -0.82 118.70 128.38 2cwu s GLU 337 Ca -0.08 0.51 -0.15 0.00 0.36 0.00 0.00 54.97 55.61 2cwu s GLU 337 Cb -0.14 -3.30 0.19 0.00 0.26 0.00 0.00 34.13 31.14 2cwu s GLU 337 CO -0.01 0.49 0.70 0.42 -0.54 0.00 0.00 175.26 176.31 2cwu s ILE 338 N -0.47 5.47 0.15 -3.70 1.01 0.01 -5.00 121.20 118.68 2cwu s ILE 338 Ca 0.26 -2.16 -0.31 0.00 0.00 0.00 0.00 60.65 58.44 2cwu s ILE 338 Cb -0.17 -4.44 -0.11 0.00 0.01 0.00 0.00 42.46 37.75 2cwu s ILE 338 CO 0.14 -1.00 1.80 -0.60 0.00 0.00 0.00 174.94 175.28 2cwu s ARG 339 N 0.66 4.13 -1.47 2.79 6.06 -1.26 -2.49 118.95 127.37 2cwu s ARG 339 Ca 0.14 2.61 -0.08 0.00 -2.50 0.00 0.00 55.73 55.90 2cwu s ARG 339 Cb -0.16 -3.41 0.05 0.00 0.06 0.00 0.00 34.95 31.49 2cwu s ARG 339 CO -0.05 -0.82 0.75 0.09 -2.50 0.00 0.00 175.30 172.78 2cwu n ASN 340 N 5.10 -2.59 0.16 -2.12 3.02 -1.25 -4.28 115.26 113.30 2cwu n ASN 340 Ca 0.17 -0.87 0.13 0.00 -0.03 0.00 0.00 54.58 53.97 2cwu n ASN 340 Cb 0.37 -3.60 0.28 0.00 -0.61 0.00 0.00 39.78 36.23 2cwu n ASN 340 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 2cwu h GLY 341 N -1.89 0.00 -5.90 7.41 0.00 -1.14 -0.46 103.07 101.09 2cwu h GLY 341 Ca -0.60 0.00 -0.54 0.00 0.00 0.00 0.00 47.33 46.19 2cwu h GLY 341 CO 0.65 0.00 -0.82 -0.42 0.00 0.00 0.00 176.54 175.94 2cwu s ILE 342 N -3.16 1.27 -0.10 2.60 1.09 -0.96 -4.48 121.20 117.45 2cwu s ILE 342 Ca 0.09 -0.54 -0.04 0.00 -1.10 0.00 0.00 60.65 59.06 2cwu s ILE 342 Cb 0.09 -1.16 -0.04 0.00 -1.06 0.00 0.00 42.46 40.29 2cwu s ILE 342 CO 0.64 0.39 0.05 0.00 -0.10 0.00 0.00 174.94 175.92 2cwu s MET 344 N -0.87 0.42 0.09 0.00 -1.94 -0.43 -1.35 119.30 115.21 2cwu s MET 344 Ca 0.13 0.03 -0.27 0.00 -1.71 0.00 0.00 55.69 53.88 2cwu s MET 344 Cb -0.12 -0.56 0.08 0.00 2.01 0.00 0.00 34.83 36.25 2cwu s MET 344 CO 0.03 -0.12 0.95 -3.38 -0.01 0.00 0.00 175.02 172.48 2cwu s HIS 345 N 0.99 -0.21 0.14 -0.03 -3.43 -0.75 -0.87 115.29 111.14 2cwu s HIS 345 Ca -0.10 -0.02 0.08 0.00 -0.80 0.00 0.00 55.06 54.22 2cwu s HIS 345 Cb -0.14 0.60 -0.04 0.00 -1.43 0.00 0.00 32.58 31.57 2cwu s HIS 345 CO -0.01 -0.70 -0.11 -1.83 -2.00 0.00 0.00 174.74 170.09 2cwu s GLU 346 N -3.18 2.02 0.02 -0.38 -1.05 -1.26 0.29 118.70 115.16 2cwu s GLU 346 Ca 0.10 -1.17 -0.06 0.00 -0.15 0.00 0.00 54.97 53.68 2cwu s GLU 346 Cb -0.01 -2.20 -0.01 0.00 -0.44 0.00 0.00 34.13 31.48 2cwu s GLU 346 CO -0.02 0.47 0.11 -1.83 0.95 0.00 0.00 175.26 174.94 2cwu s GLU 347 N -2.50 0.54 0.38 -4.83 -1.05 -0.37 -4.92 118.70 105.96 2cwu s GLU 347 Ca 0.22 -0.60 -0.27 0.00 -0.15 0.00 0.00 54.97 54.18 2cwu s GLU 347 Cb -0.10 0.22 -0.09 0.00 -0.44 0.00 0.00 34.13 33.71 2cwu s GLU 347 CO 0.14 -0.13 1.33 0.34 0.95 0.00 0.00 175.26 177.88 2cwu s ASP 348 N -1.79 6.44 -0.36 0.83 2.15 -1.26 -1.59 116.67 121.08 2cwu s ASP 348 Ca -0.10 2.72 0.13 0.00 0.43 0.00 0.00 52.55 55.73 2cwu s ASP 348 Cb -0.04 -2.65 0.45 0.00 -0.30 0.00 0.00 42.92 40.38 2cwu s ASP 348 CO -0.02 -0.77 1.04 1.87 -0.17 0.00 0.00 175.17 177.12 2cwu n TRP 349 N 0.36 2.15 -4.76 -5.34 -0.00 0.16 -4.83 117.44 105.17 2cwu n TRP 349 Ca 0.02 -2.86 0.00 0.00 -0.00 0.00 0.00 57.50 54.66 2cwu n TRP 349 Cb 0.42 -0.25 0.00 0.00 -0.00 0.00 0.00 31.31 31.49 2cwu n TRP 349 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 2cwu n GLY 350 N -0.29 0.67 3.73 5.87 0.00 -1.26 -4.36 105.19 109.55 2cwu n GLY 350 Ca 0.23 -0.74 -0.41 0.00 0.00 0.00 0.00 46.02 45.10 2cwu n GLY 350 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2cwu s ILE 351 N 0.00 4.46 -0.22 -0.61 -1.09 -1.26 -0.01 121.20 122.46 2cwu s ILE 351 Ca 0.00 2.04 -0.13 0.00 -2.23 0.00 0.00 60.65 60.33 2cwu s ILE 351 Cb 0.00 -4.30 -0.18 0.00 -1.58 0.00 0.00 42.46 36.39 2cwu s ILE 351 CO 0.00 0.32 0.01 -0.11 -1.23 0.00 0.00 174.94 173.92 2cwu n LEU 352 N 2.76 2.22 -3.61 2.97 7.94 0.93 -4.51 117.00 125.69 2cwu n LEU 352 Ca 0.02 0.27 -0.16 0.00 -1.11 0.00 0.00 56.01 55.03 2cwu n LEU 352 Cb 0.49 -0.95 -0.07 0.00 0.53 0.00 0.00 43.42 43.42 2cwu n LEU 352 CO 0.51 0.58 0.32 0.00 -1.11 0.00 0.00 177.39 177.69 2cwu s ALA 353 N -2.47 -1.49 -0.23 1.96 0.00 -1.10 -4.96 121.76 113.47 2cwu s ALA 353 Ca -0.31 1.19 -0.24 0.00 0.00 0.00 0.00 51.96 52.60 2cwu s ALA 353 Cb 0.09 -0.21 0.06 0.00 0.00 0.00 0.00 23.12 23.06 2cwu s ALA 353 CO 0.60 -0.33 0.66 0.21 0.00 0.00 0.00 175.76 176.91 2cwu s LYS 354 N -0.87 0.81 -0.28 0.00 2.20 -1.26 -1.46 119.74 118.87 2cwu s LYS 354 Ca -0.09 0.84 -0.17 0.00 -0.36 0.00 0.00 55.97 56.19 2cwu s LYS 354 Cb -0.02 0.39 0.11 0.00 -1.51 0.00 0.00 37.83 36.80 2cwu s LYS 354 CO 0.07 -0.12 0.81 -1.58 -0.36 0.00 0.00 175.35 174.17 2cwu s HIS 355 N 0.17 -0.83 -0.30 4.03 2.46 -0.15 -5.01 115.29 115.64 2cwu s HIS 355 Ca -0.01 1.71 -0.00 0.00 0.47 0.00 0.00 55.06 57.22 2cwu s HIS 355 Cb -0.04 0.49 0.06 0.00 -0.13 0.00 0.00 32.58 32.96 2cwu s HIS 355 CO 0.02 -0.41 -0.00 -1.12 -2.47 0.00 0.00 174.74 170.76 2cwu s SER 356 N 1.35 4.82 -0.13 9.88 0.01 -1.26 -0.60 113.70 127.77 2cwu s SER 356 Ca -0.08 -1.43 -0.20 0.00 1.31 0.00 0.00 55.95 55.55 2cwu s SER 356 Cb -0.05 -1.68 -0.04 0.00 0.21 0.00 0.00 66.02 64.47 2cwu s SER 356 CO -0.16 -0.28 0.56 -0.62 0.41 0.00 0.00 173.24 173.15 2cwu s ASP 357 N 1.25 6.74 0.42 2.44 2.15 -0.58 -4.97 116.67 124.12 2cwu s ASP 357 Ca -0.04 0.88 0.29 0.00 0.43 0.00 0.00 52.55 54.12 2cwu s ASP 357 Cb -0.20 -2.33 1.12 0.00 -0.30 0.00 0.00 42.92 41.21 2cwu s ASP 357 CO -0.03 -0.10 1.85 0.17 -0.17 0.00 0.00 175.17 176.89 2cwu h LEU 358 N 7.17 0.00 0.00 -1.34 8.10 -1.96 -1.80 115.31 125.48 2cwu h LEU 358 Ca -0.38 0.00 -0.37 0.00 0.11 0.00 0.00 57.88 57.24 2cwu h LEU 358 Cb 1.17 0.00 -0.07 0.00 -0.44 0.00 0.00 40.66 41.33 2cwu h LEU 358 CO 0.76 0.00 -2.40 0.79 -4.11 0.00 0.00 178.44 173.48 2cwu n TRP 359 N -2.75 0.00 0.18 0.17 8.01 -1.26 -4.52 117.44 117.27 2cwu n TRP 359 Ca 0.02 0.00 0.12 0.00 -1.31 0.00 0.00 57.50 56.32 2cwu n TRP 359 Cb 0.31 -0.95 0.08 0.00 -2.01 0.00 0.00 31.31 28.74 2cwu n TRP 359 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.69 177.34 2cwu h SER 360 N 0.00 0.00 0.00 -0.99 4.64 -2.00 -3.47 113.55 111.73 2cwu h SER 360 Ca -0.55 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.76 2cwu h SER 360 Cb 1.85 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.94 2cwu h SER 360 CO -0.08 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.49 2cwu n GLY 361 N 1.15 0.59 3.73 -0.77 0.00 -0.67 -4.99 105.19 104.23 2cwu n GLY 361 Ca 0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.64 2cwu n GLY 361 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2cwu s ILE 362 N -2.63 5.02 -0.17 -0.61 -1.09 -1.25 -4.87 121.20 115.58 2cwu s ILE 362 Ca 0.00 1.38 -0.02 0.00 -2.23 0.00 0.00 60.65 59.77 2cwu s ILE 362 Cb 0.00 -4.01 -0.01 0.00 -1.58 0.00 0.00 42.46 36.86 2cwu s ILE 362 CO 0.00 0.29 -0.07 0.20 -1.23 0.00 0.00 174.94 174.13 2cwu s ASN 363 N 0.56 4.29 -0.04 3.58 0.01 -1.26 -1.53 114.94 120.55 2cwu s ASN 363 Ca 0.35 -0.32 0.02 0.00 -0.71 0.00 0.00 52.86 52.21 2cwu s ASN 363 Cb -0.18 -1.70 0.01 0.00 0.41 0.00 0.00 41.25 39.79 2cwu s ASN 363 CO 0.18 0.08 -0.10 -0.47 -1.51 0.00 0.00 177.10 175.27 2cwu s TYR 364 N 0.85 1.19 -0.08 2.20 6.14 0.23 -5.00 117.35 122.87 2cwu s TYR 364 Ca -0.02 -0.36 -0.06 0.00 0.64 0.00 0.00 57.07 57.27 2cwu s TYR 364 Cb -0.15 -0.87 0.03 0.00 0.42 0.00 0.00 41.96 41.40 2cwu s TYR 364 CO 0.01 -0.18 0.21 0.99 0.64 0.00 0.00 175.55 177.22 2cwu s THR 365 N 0.43 -0.02 0.01 4.34 2.01 -1.26 -0.98 115.64 120.16 2cwu s THR 365 Ca -0.08 0.08 0.02 0.00 0.31 0.00 0.00 61.69 62.01 2cwu s THR 365 Cb -0.12 -0.31 -0.01 0.00 0.01 0.00 0.00 72.50 72.07 2cwu s THR 365 CO 0.02 0.03 -0.05 -0.13 -0.69 0.00 0.00 174.62 173.80 2cwu s ARG 366 N 0.65 0.40 0.20 4.92 1.81 -0.53 -4.83 118.95 121.57 2cwu s ARG 366 Ca -0.04 -0.30 -0.01 0.00 -1.72 0.00 0.00 55.73 53.66 2cwu s ARG 366 Cb -0.06 -0.33 -0.04 0.00 -0.45 0.00 0.00 34.95 34.07 2cwu s ARG 366 CO -0.04 0.08 0.39 1.03 -0.68 0.00 0.00 175.30 176.09 2cwu s ARG 367 N -0.44 3.52 0.32 3.54 0.52 -1.26 -0.05 118.95 125.10 2cwu s ARG 367 Ca -0.01 -0.34 0.06 0.00 -0.52 0.00 0.00 55.73 54.92 2cwu s ARG 367 Cb -0.04 -2.84 -0.01 0.00 0.52 0.00 0.00 34.95 32.58 2cwu s ARG 367 CO -0.00 0.40 0.45 1.21 0.02 0.00 0.00 175.30 177.38 2cwu s ASN 368 N -3.16 5.98 0.11 0.23 2.47 0.98 -4.47 114.94 117.09 2cwu s ASN 368 Ca 0.38 -0.17 -0.13 0.00 0.42 0.00 0.00 52.86 53.36 2cwu s ASN 368 Cb -0.11 -1.29 0.02 0.00 -1.45 0.00 0.00 41.25 38.42 2cwu s ASN 368 CO 0.29 -0.39 0.31 -0.13 -3.72 0.00 0.00 177.10 173.47 2cwu s ARG 369 N -4.14 0.97 -0.02 0.43 0.52 -1.26 -0.66 118.95 114.78 2cwu s ARG 369 Ca 0.44 -0.80 -0.05 0.00 -0.52 0.00 0.00 55.73 54.80 2cwu s ARG 369 Cb -0.09 0.42 0.00 0.00 0.52 0.00 0.00 34.95 35.80 2cwu s ARG 369 CO 0.31 -0.35 0.11 -0.98 0.02 0.00 0.00 175.30 174.41 2cwu s ARG 370 N -3.77 0.32 -0.07 3.54 1.70 -0.62 -2.79 118.95 117.25 2cwu s ARG 370 Ca 0.03 -0.18 -0.16 0.00 -0.47 0.00 0.00 55.73 54.95 2cwu s ARG 370 Cb 0.03 0.13 -0.05 0.00 -0.57 0.00 0.00 34.95 34.49 2cwu s ARG 370 CO -0.11 -0.06 0.43 1.41 -1.08 0.00 0.00 175.30 175.89 2cwu s MET 371 N -0.76 4.16 -0.09 3.89 -2.45 0.44 -1.23 119.30 123.26 2cwu s MET 371 Ca -0.09 0.41 0.04 0.00 -1.25 0.00 0.00 55.69 54.80 2cwu s MET 371 Cb -0.05 -3.34 -0.01 0.00 1.25 0.00 0.00 34.83 32.68 2cwu s MET 371 CO 0.01 0.39 -0.23 0.08 1.05 0.00 0.00 175.02 176.32 2cwu s VAL 372 N -0.13 2.20 -0.12 10.11 1.01 0.14 -1.77 120.40 131.86 2cwu s VAL 372 Ca 0.24 -0.98 -0.01 0.00 0.00 0.00 0.00 61.98 61.23 2cwu s VAL 372 Cb -0.16 -1.84 0.03 0.00 0.00 0.00 0.00 36.38 34.41 2cwu s VAL 372 CO 0.11 0.56 -0.06 -0.63 0.00 0.00 0.00 175.10 175.08 2cwu s ILE 373 N 0.15 0.93 0.25 2.22 1.01 -0.74 -1.81 121.20 123.22 2cwu s ILE 373 Ca -0.12 -0.28 -0.11 0.00 0.00 0.00 0.00 60.65 60.13 2cwu s ILE 373 Cb -0.16 -1.00 -0.01 0.00 0.01 0.00 0.00 42.46 41.30 2cwu s ILE 373 CO 0.07 0.31 0.46 -0.94 0.00 0.00 0.00 174.94 174.83 2cwu s SER 374 N 1.74 0.02 0.18 3.58 1.04 -0.46 -1.29 113.70 118.51 2cwu s SER 374 Ca 0.04 -1.02 -0.16 0.00 0.48 0.00 0.00 55.95 55.29 2cwu s SER 374 Cb -0.13 0.58 0.02 0.00 0.10 0.00 0.00 66.02 66.60 2cwu s SER 374 CO -0.08 -1.14 0.47 0.72 0.98 0.00 0.00 173.24 174.19 2cwu s PHE 375 N -3.91 -0.07 -0.03 5.02 -0.71 -1.01 -1.09 117.98 116.18 2cwu s PHE 375 Ca 0.24 -0.27 0.01 0.00 -1.04 0.00 0.00 56.93 55.88 2cwu s PHE 375 Cb -0.00 0.31 0.02 0.00 -1.21 0.00 0.00 43.02 42.13 2cwu s PHE 375 CO 0.10 -0.85 -0.04 0.12 -1.34 0.00 0.00 175.22 173.21 2cwu s PHE 376 N -3.87 0.65 0.29 3.49 2.19 -1.26 -1.01 117.98 118.46 2cwu s PHE 376 Ca 0.09 -0.15 0.11 0.00 0.33 0.00 0.00 56.93 57.31 2cwu s PHE 376 Cb 0.00 -0.56 -0.05 0.00 -1.31 0.00 0.00 43.02 41.10 2cwu s PHE 376 CO -0.04 -0.14 -0.17 -0.08 1.83 0.00 0.00 175.22 176.62 2cwu s THR 377 N 0.67 2.47 -0.07 0.12 -1.32 0.46 0.65 115.64 118.62 2cwu s THR 377 Ca -0.09 -2.35 -0.00 0.00 -1.21 0.00 0.00 61.69 58.05 2cwu s THR 377 Cb -0.12 -2.39 0.02 0.00 -1.51 0.00 0.00 72.50 68.50 2cwu s THR 377 CO -0.00 -0.36 -0.04 -0.89 -2.21 0.00 0.00 174.62 171.13 2cwu s THR 378 N -2.52 0.61 -0.38 5.08 2.01 -1.09 -1.11 115.64 118.23 2cwu s THR 378 Ca 0.31 -0.07 0.02 0.00 0.31 0.00 0.00 61.69 62.25 2cwu s THR 378 Cb -0.04 -0.69 0.11 0.00 0.01 0.00 0.00 72.50 71.90 2cwu s THR 378 CO 0.16 0.28 0.15 -0.63 -0.69 0.00 0.00 174.62 173.88 2cwu s ILE 379 N 1.55 1.58 0.00 1.82 1.09 -1.26 -4.78 121.20 121.20 2cwu s ILE 379 Ca -0.01 -2.20 0.00 0.00 -1.10 0.00 0.00 60.65 57.35 2cwu s ILE 379 Cb -0.13 -2.15 0.00 0.00 -1.06 0.00 0.00 42.46 39.12 2cwu s ILE 379 CO -0.04 -0.73 0.00 0.61 -0.10 0.00 0.00 174.94 174.68 2cwu n GLY 380 N 4.12 3.00 1.57 6.18 0.00 -1.26 -4.78 105.19 114.01 2cwu n GLY 380 Ca 0.03 0.03 -0.04 0.00 0.00 0.00 0.00 46.02 46.04 2cwu n GLY 380 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2cwu n ASN 381 N 9.73 5.42 0.00 1.61 6.94 -1.26 -4.99 115.26 132.71 2cwu n ASN 381 Ca 0.00 -2.55 0.00 0.00 -0.02 0.00 0.00 54.58 52.01 2cwu n ASN 381 Cb 0.00 -1.06 0.00 0.00 -2.36 0.00 0.00 39.78 36.36 2cwu n ASN 381 CO 0.00 0.00 0.00 0.47 -1.03 0.00 0.00 177.26 176.70 2cwu n ASP 383 N 1.11 0.00 -4.19 0.53 9.92 -1.05 -0.78 116.55 122.09 2cwu n ASP 383 Ca 0.08 0.00 -0.28 0.00 -0.53 0.00 0.00 54.79 54.06 2cwu n ASP 383 Cb 0.53 0.00 -0.16 0.00 -0.64 0.00 0.00 41.12 40.85 2cwu n ASP 383 CO 0.00 0.00 0.00 -0.31 0.13 0.00 0.00 177.20 177.02 2cwu s TYR 384 N 0.00 1.93 -0.15 1.24 2.02 -0.27 -1.38 117.35 120.74 2cwu s TYR 384 Ca 0.00 -0.51 -0.04 0.00 -0.37 0.00 0.00 57.07 56.15 2cwu s TYR 384 Cb 0.00 -1.27 -0.03 0.00 -0.40 0.00 0.00 41.96 40.26 2cwu s TYR 384 CO 0.00 -0.14 -0.02 0.20 -1.57 0.00 0.00 175.55 174.03 2cwu s GLY 385 N -0.17 1.77 -0.23 0.71 0.00 0.18 -0.41 107.32 109.17 2cwu s GLY 385 Ca -0.00 -0.80 -0.05 0.00 0.00 0.00 0.00 44.72 43.87 2cwu s GLY 385 CO 0.02 -0.11 -0.01 -1.36 0.00 0.00 0.00 173.10 171.64 2cwu s PHE 386 N 0.21 3.00 -0.08 1.90 0.40 -0.18 -0.43 117.98 122.80 2cwu s PHE 386 Ca -0.01 -0.83 0.03 0.00 -0.60 0.00 0.00 56.93 55.53 2cwu s PHE 386 Cb -0.13 -2.15 0.01 0.00 0.51 0.00 0.00 43.02 41.26 2cwu s PHE 386 CO 0.02 -0.51 -0.18 0.71 0.70 0.00 0.00 175.22 175.96 2cwu s TYR 387 N 1.51 2.03 -0.11 0.36 1.51 0.18 -2.40 117.35 120.43 2cwu s TYR 387 Ca 0.06 -0.81 0.00 0.00 -1.01 0.00 0.00 57.07 55.31 2cwu s TYR 387 Cb -0.15 -1.40 -0.02 0.00 -0.11 0.00 0.00 41.96 40.28 2cwu s TYR 387 CO -0.01 -0.35 -0.12 -1.58 -1.11 0.00 0.00 175.55 172.37 2cwu s TRP 388 N 0.51 2.81 0.01 2.71 0.52 -0.41 -0.53 118.94 124.56 2cwu s TRP 388 Ca -0.17 -0.51 0.07 0.00 0.02 0.00 0.00 56.10 55.52 2cwu s TRP 388 Cb -0.17 -1.81 -0.02 0.00 -1.15 0.00 0.00 33.47 30.32 2cwu s TRP 388 CO 0.06 -0.11 -0.22 0.71 0.02 0.00 0.00 176.95 177.42 2cwu s TYR 389 N 0.11 1.91 -0.11 -1.98 2.02 0.72 -1.78 117.35 118.25 2cwu s TYR 389 Ca -0.06 -0.37 0.02 0.00 -0.37 0.00 0.00 57.07 56.29 2cwu s TYR 389 Cb -0.15 -1.19 0.01 0.00 -0.40 0.00 0.00 41.96 40.24 2cwu s TYR 389 CO 0.04 0.03 -0.17 -0.51 -1.57 0.00 0.00 175.55 173.37 2cwu s LEU 390 N -0.82 1.83 0.19 -1.29 1.43 -0.73 -1.28 118.68 118.02 2cwu s LEU 390 Ca 0.08 -0.46 0.05 0.00 -1.03 0.00 0.00 54.13 52.77 2cwu s LEU 390 Cb -0.09 -1.16 -0.04 0.00 0.03 0.00 0.00 46.19 44.93 2cwu s LEU 390 CO 0.00 0.05 0.18 -0.31 0.23 0.00 0.00 176.35 176.51 2cwu s TYR 391 N 0.84 3.19 0.35 0.29 2.02 -0.28 -0.42 117.35 123.35 2cwu s TYR 391 Ca -0.09 -0.03 0.06 0.00 -0.37 0.00 0.00 57.07 56.64 2cwu s TYR 391 Cb -0.15 -1.50 0.73 0.00 -0.40 0.00 0.00 41.96 40.63 2cwu s TYR 391 CO 0.00 0.51 1.91 -0.07 -1.57 0.00 0.00 175.55 176.34 2cwu h LEU 392 N 2.02 0.71 0.00 -1.29 3.38 -1.85 -2.08 115.31 116.21 2cwu h LEU 392 Ca -0.48 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.51 2cwu h LEU 392 Cb 1.21 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.83 2cwu h LEU 392 CO 0.63 0.42 0.00 -0.90 0.09 0.00 0.00 178.44 178.68 2cwu n ASP 393 N -4.51 0.00 0.00 -0.43 5.75 -1.26 -4.76 116.55 111.34 2cwu n ASP 393 Ca 0.14 -1.31 0.00 0.00 -0.01 0.00 0.00 54.79 53.61 2cwu n ASP 393 Cb 0.32 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.41 2cwu n ASP 393 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2cwu n GLY 394 N 0.63 0.19 3.77 6.12 0.00 -0.78 -4.78 105.19 110.34 2cwu n GLY 394 Ca 0.12 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.75 2cwu n GLY 394 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2cwu s THR 395 N -2.00 3.33 -0.07 2.61 2.01 -1.26 -4.47 115.64 115.79 2cwu s THR 395 Ca 0.00 1.18 0.05 0.00 0.31 0.00 0.00 61.69 63.23 2cwu s THR 395 Cb 0.00 -3.69 -0.00 0.00 0.01 0.00 0.00 72.50 68.82 2cwu s THR 395 CO 0.00 0.17 -0.22 -0.63 -0.69 0.00 0.00 174.62 173.25 2cwu s ILE 396 N -1.36 1.82 0.01 1.82 1.01 -0.44 -1.12 121.20 122.94 2cwu s ILE 396 Ca 0.53 -0.91 -0.04 0.00 0.00 0.00 0.00 60.65 60.22 2cwu s ILE 396 Cb -0.30 -1.56 -0.01 0.00 0.01 0.00 0.00 42.46 40.60 2cwu s ILE 396 CO 0.38 0.51 0.07 -0.70 0.00 0.00 0.00 174.94 175.20 2cwu s GLU 397 N 0.10 0.42 0.01 2.79 2.12 -0.40 -0.39 118.70 123.35 2cwu s GLU 397 Ca -0.09 -0.50 0.07 0.00 0.36 0.00 0.00 54.97 54.81 2cwu s GLU 397 Cb -0.15 0.16 -0.02 0.00 0.26 0.00 0.00 34.13 34.39 2cwu s GLU 397 CO 0.05 -0.09 -0.22 0.12 -0.54 0.00 0.00 175.26 174.58 2cwu s PHE 398 N -1.47 1.93 -0.04 5.30 5.36 -0.56 -0.20 117.98 128.31 2cwu s PHE 398 Ca -0.15 -0.37 -0.01 0.00 -0.96 0.00 0.00 56.93 55.43 2cwu s PHE 398 Cb -0.08 -1.19 0.03 0.00 -0.34 0.00 0.00 43.02 41.44 2cwu s PHE 398 CO 0.00 0.04 0.08 -2.00 -1.46 0.00 0.00 175.22 171.88 2cwu s GLU 399 N -0.86 0.01 -0.11 10.12 2.12 0.31 -2.30 118.70 127.99 2cwu s GLU 399 Ca 0.08 0.28 -0.03 0.00 0.36 0.00 0.00 54.97 55.66 2cwu s GLU 399 Cb -0.09 -0.24 -0.03 0.00 0.26 0.00 0.00 34.13 34.03 2cwu s GLU 399 CO 0.01 -0.18 0.02 0.00 -0.54 0.00 0.00 175.26 174.56 2cwu s ALA 400 N 1.20 3.32 -0.23 6.30 0.00 0.42 -0.64 121.76 132.14 2cwu s ALA 400 Ca -0.08 -0.78 0.00 0.00 0.00 0.00 0.00 51.96 51.10 2cwu s ALA 400 Cb -0.12 -1.60 0.03 0.00 0.00 0.00 0.00 23.12 21.43 2cwu s ALA 400 CO -0.04 0.49 -0.12 0.15 0.00 0.00 0.00 175.76 176.24 2cwu s LYS 401 N -0.56 2.78 -0.20 0.00 1.02 0.43 -2.38 119.74 120.83 2cwu s LYS 401 Ca 0.10 -0.99 -0.10 0.00 0.02 0.00 0.00 55.97 54.99 2cwu s LYS 401 Cb -0.12 -2.83 -0.05 0.00 -0.52 0.00 0.00 37.83 34.31 2cwu s LYS 401 CO 0.02 -0.36 0.14 0.00 -0.92 0.00 0.00 175.35 174.23 2cwu s ALA 402 N 1.27 3.68 0.00 5.17 0.00 -0.17 -0.65 121.76 131.06 2cwu s ALA 402 Ca 0.00 -0.69 0.00 0.00 0.00 0.00 0.00 51.96 51.28 2cwu s ALA 402 Cb -0.16 -2.18 0.00 0.00 0.00 0.00 0.00 23.12 20.78 2cwu s ALA 402 CO -0.07 0.15 0.00 -2.37 0.00 0.00 0.00 175.76 173.46 2cwu n THR 403 N 3.54 0.00 0.00 0.00 5.66 -0.48 -1.98 114.28 121.02 2cwu n THR 403 Ca -0.16 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.84 2cwu n THR 403 Cb 0.52 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.30 2cwu n THR 403 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2cwu n GLY 404 N 0.00 0.23 3.32 1.09 0.00 -1.26 -2.51 105.19 106.07 2cwu n GLY 404 Ca 0.00 -1.80 -0.32 0.00 0.00 0.00 0.00 46.02 43.90 2cwu n GLY 404 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2cwu s VAL 405 N 0.00 2.37 0.47 1.61 1.01 0.04 -1.16 120.40 124.74 2cwu s VAL 405 Ca 0.00 -0.96 -0.23 0.00 0.00 0.00 0.00 61.98 60.79 2cwu s VAL 405 Cb 0.00 -1.89 -0.07 0.00 0.00 0.00 0.00 36.38 34.42 2cwu s VAL 405 CO 0.00 0.57 1.19 0.68 0.00 0.00 0.00 175.10 177.54 2cwu s VAL 406 N -0.25 2.99 0.07 2.92 -7.23 -1.26 -4.77 120.40 112.88 2cwu s VAL 406 Ca -0.00 0.75 -0.31 0.00 -1.81 0.00 0.00 61.98 60.61 2cwu s VAL 406 Cb -0.13 -3.38 -0.06 0.00 0.56 0.00 0.00 36.38 33.36 2cwu s VAL 406 CO 0.03 -0.01 1.29 0.12 -0.31 0.00 0.00 175.10 176.22 2cwu s PHE 407 N -1.51 3.31 0.44 2.82 5.36 -1.26 -5.00 117.98 122.14 2cwu s PHE 407 Ca 0.64 1.12 0.07 0.00 -0.96 0.00 0.00 56.93 57.81 2cwu s PHE 407 Cb -0.30 -3.54 -0.01 0.00 -0.34 0.00 0.00 43.02 38.83 2cwu s PHE 407 CO 0.36 -1.81 0.39 0.95 -1.46 0.00 0.00 175.22 173.65 2cwu s THR 408 N 1.21 2.46 0.22 0.12 -4.23 -1.26 -4.06 115.64 110.11 2cwu s THR 408 Ca 0.61 -1.37 -0.07 0.00 -1.18 0.00 0.00 61.69 59.68 2cwu s THR 408 Cb -0.32 -2.84 0.03 0.00 1.34 0.00 0.00 72.50 70.71 2cwu s THR 408 CO 0.29 0.00 0.42 -1.54 -0.54 0.00 0.00 174.62 173.25 2cwu n SER 409 N -1.59 -1.22 -4.89 3.99 3.41 -0.08 -4.88 113.62 108.35 2cwu n SER 409 Ca 0.03 -1.92 -0.29 0.00 -0.26 0.00 0.00 58.87 56.43 2cwu n SER 409 Cb 0.62 2.06 -0.02 0.00 -0.26 0.00 0.00 64.21 66.61 2cwu n SER 409 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2cwu s ALA 410 N -1.70 3.40 -0.30 7.33 0.00 -1.26 -0.22 121.76 129.01 2cwu s ALA 410 Ca 0.10 -0.37 -0.09 0.00 0.00 0.00 0.00 51.96 51.60 2cwu s ALA 410 Cb -0.02 -2.61 -0.01 0.00 0.00 0.00 0.00 23.12 20.48 2cwu s ALA 410 CO 0.07 -0.11 0.14 0.12 0.00 0.00 0.00 175.76 175.98 2cwu s PHE 411 N -2.48 3.17 0.40 0.00 5.36 -0.46 -4.13 117.98 119.84 2cwu s PHE 411 Ca 0.49 -0.61 -0.27 0.00 -0.96 0.00 0.00 56.93 55.59 2cwu s PHE 411 Cb -0.10 -2.33 -0.10 0.00 -0.34 0.00 0.00 43.02 40.14 2cwu s PHE 411 CO 0.36 -0.46 1.37 -0.35 -1.46 0.00 0.00 175.22 174.68 2cwu n PRO 412 N 4.96 2.24 -0.25 10.12 -0.04 -1.26 -4.77 135.00 146.00 2cwu n PRO 412 Ca -0.14 0.79 0.03 0.00 -0.04 0.00 0.00 63.50 64.14 2cwu n PRO 412 Cb 0.49 -2.51 0.15 0.00 -0.04 0.00 0.00 33.50 31.60 2cwu n PRO 412 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 2cwu h GLU 413 N 2.44 0.55 -0.38 0.54 4.81 -1.99 -0.96 114.58 119.59 2cwu h GLU 413 Ca -0.49 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.71 2cwu h GLU 413 Cb 1.27 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 30.53 2cwu h GLU 413 CO 0.62 0.36 0.00 0.41 -0.73 0.00 0.00 179.01 179.67 2cwu n GLY 414 N -1.31 -0.02 0.79 1.92 0.00 -1.26 -5.00 105.19 100.30 2cwu n GLY 414 Ca 0.12 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.13 2cwu n GLY 414 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2cwu n GLY 415 N 0.33 -2.63 3.46 -0.02 0.00 -0.37 -5.04 105.19 100.93 2cwu n GLY 415 Ca 0.01 -1.65 -0.17 0.00 0.00 0.00 0.00 46.02 44.21 2cwu n GLY 415 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2cwu s SER 416 N -1.92 -0.56 0.00 1.61 0.15 -1.26 -4.61 113.70 107.11 2cwu s SER 416 Ca 0.00 0.62 0.24 0.00 0.70 0.00 0.00 55.95 57.51 2cwu s SER 416 Cb 0.00 0.54 0.21 0.00 -1.71 0.00 0.00 66.02 65.06 2cwu s SER 416 CO 0.00 -0.55 1.26 0.47 1.20 0.00 0.00 173.24 175.62 2cwu n ASP 417 N 1.10 2.67 -0.08 5.45 8.00 -1.26 -4.36 116.55 128.07 2cwu n ASP 417 Ca -0.19 -1.85 0.01 0.00 0.71 0.00 0.00 54.79 53.47 2cwu n ASP 417 Cb 0.57 0.11 0.01 0.00 -0.02 0.00 0.00 41.12 41.79 2cwu n ASP 417 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2cwu n ASN 418 N 0.95 0.83 -3.81 -2.24 4.13 -1.26 -5.05 115.26 108.81 2cwu n ASN 418 Ca 0.13 -1.65 -0.12 0.00 1.68 0.00 0.00 54.58 54.62 2cwu n ASN 418 Cb 0.55 -0.07 -0.11 0.00 -1.54 0.00 0.00 39.78 38.61 2cwu n ASN 418 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 2cwu s ILE 419 N -0.58 0.02 0.16 2.41 1.01 -1.26 -1.26 121.20 121.69 2cwu s ILE 419 Ca 0.03 -0.15 0.06 0.00 0.00 0.00 0.00 60.65 60.60 2cwu s ILE 419 Cb 0.03 -0.34 -0.04 0.00 0.01 0.00 0.00 42.46 42.11 2cwu s ILE 419 CO 0.00 -0.08 0.05 -0.94 0.00 0.00 0.00 174.94 173.97 2cwu s SER 420 N -0.23 5.06 -0.17 3.58 1.04 -0.87 -4.58 113.70 117.52 2cwu s SER 420 Ca -0.03 -0.28 -0.17 0.00 0.48 0.00 0.00 55.95 55.95 2cwu s SER 420 Cb -0.03 -1.18 -0.04 0.00 0.10 0.00 0.00 66.02 64.87 2cwu s SER 420 CO 0.01 0.09 0.43 -1.58 0.98 0.00 0.00 173.24 173.17 2cwu s GLN 421 N -2.92 4.23 -0.17 4.02 0.74 -1.26 -0.82 119.66 123.48 2cwu s GLN 421 Ca 0.28 0.29 0.16 0.00 0.05 0.00 0.00 55.36 56.15 2cwu s GLN 421 Cb -0.10 -3.50 -0.23 0.00 1.10 0.00 0.00 33.01 30.28 2cwu s GLN 421 CO 0.20 0.02 0.08 1.28 -0.55 0.00 0.00 175.29 176.33 2cwu n LEU 422 N 4.23 0.00 -3.87 3.68 4.77 0.12 -4.58 117.00 121.35 2cwu n LEU 422 Ca -0.08 0.00 -0.07 0.00 -0.03 0.00 0.00 56.01 55.83 2cwu n LEU 422 Cb 0.51 0.42 -0.02 0.00 -2.33 0.00 0.00 43.42 42.00 2cwu n LEU 422 CO 0.41 0.42 0.45 0.00 -1.33 0.00 0.00 177.39 177.34 2cwu s ALA 423 N -2.49 -1.07 -0.33 -1.18 0.00 -1.21 -4.82 121.76 110.66 2cwu s ALA 423 Ca -0.09 -0.42 -0.38 0.00 0.00 0.00 0.00 51.96 51.08 2cwu s ALA 423 Cb 0.06 0.85 -0.14 0.00 0.00 0.00 0.00 23.12 23.89 2cwu s ALA 423 CO 0.74 -1.02 2.03 -2.30 0.00 0.00 0.00 175.76 175.22 2cwu n PRO 424 N -0.46 1.03 -0.80 0.00 -0.02 -1.26 -0.29 135.00 133.19 2cwu n PRO 424 Ca -0.04 0.32 0.00 0.00 -2.02 0.00 0.00 63.50 61.76 2cwu n PRO 424 Cb 0.59 -2.25 0.00 0.00 -0.02 0.00 0.00 33.50 31.83 2cwu n PRO 424 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2cwu n GLY 425 N 5.83 0.58 3.61 -1.23 0.00 -1.26 -4.63 105.19 108.08 2cwu n GLY 425 Ca 0.37 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 46.02 2cwu n GLY 425 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2cwu s LEU 426 N 0.00 4.01 0.32 0.99 2.96 0.60 -1.35 118.68 126.20 2cwu s LEU 426 Ca 0.00 0.04 0.09 0.00 -0.22 0.00 0.00 54.13 54.04 2cwu s LEU 426 Cb 0.00 -2.09 -0.05 0.00 0.50 0.00 0.00 46.19 44.56 2cwu s LEU 426 CO 0.00 0.02 0.04 -0.83 -1.32 0.00 0.00 176.35 174.26 2cwu s GLY 427 N 1.34 1.91 -0.26 7.98 0.00 0.69 -0.70 107.32 118.28 2cwu s GLY 427 Ca 0.07 -1.83 -0.03 0.00 0.00 0.00 0.00 44.72 42.93 2cwu s GLY 427 CO 0.07 -1.81 0.09 0.00 0.00 0.00 0.00 173.10 171.45 2cwu s ALA 428 N -2.44 0.97 0.34 3.20 0.00 0.00 -0.90 121.76 122.94 2cwu s ALA 428 Ca 0.35 -1.07 -0.28 0.00 0.00 0.00 0.00 51.96 50.95 2cwu s ALA 428 Cb -0.03 -1.37 -0.12 0.00 0.00 0.00 0.00 23.12 21.61 2cwu s ALA 428 CO 0.20 -1.48 1.40 -2.30 0.00 0.00 0.00 175.76 173.58 2cwu n PRO 429 N 5.08 2.38 -2.03 0.00 -0.02 -1.26 -2.06 135.00 137.09 2cwu n PRO 429 Ca -0.06 0.84 -0.38 0.00 -2.02 0.00 0.00 63.50 61.88 2cwu n PRO 429 Cb 0.44 -2.50 0.01 0.00 -0.02 0.00 0.00 33.50 31.44 2cwu n PRO 429 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 2cwu s PHE 430 N -0.93 2.61 0.31 6.00 0.08 -0.39 -4.84 117.98 120.81 2cwu s PHE 430 Ca 0.56 1.45 -0.18 0.00 0.12 0.00 0.00 56.93 58.88 2cwu s PHE 430 Cb -0.53 -3.59 0.06 0.00 -0.57 0.00 0.00 43.02 38.39 2cwu s PHE 430 CO 0.61 -2.17 0.86 -3.38 -0.10 0.00 0.00 175.22 171.03 2cwu s HIS 431 N -1.42 0.06 0.14 0.36 -3.43 -1.01 -0.29 115.29 109.70 2cwu s HIS 431 Ca 0.67 -0.62 0.05 0.00 -0.80 0.00 0.00 55.06 54.35 2cwu s HIS 431 Cb -0.35 0.78 -0.04 0.00 -1.43 0.00 0.00 32.58 31.54 2cwu s HIS 431 CO 0.42 -1.33 -0.11 -0.65 -2.00 0.00 0.00 174.74 171.06 2cwu s GLN 432 N -2.50 1.04 -0.30 -0.38 -0.21 -0.70 -0.35 119.66 116.26 2cwu s GLN 432 Ca 0.16 -1.38 0.02 0.00 0.02 0.00 0.00 55.36 54.18 2cwu s GLN 432 Cb -0.04 -0.68 0.09 0.00 1.00 0.00 0.00 33.01 33.38 2cwu s GLN 432 CO 0.09 0.10 0.03 -1.01 -2.12 0.00 0.00 175.29 172.37 2cwu s HIS 433 N -3.00 2.77 -0.14 0.91 3.76 0.19 -3.19 115.29 116.58 2cwu s HIS 433 Ca 0.14 -2.27 0.00 0.00 -0.15 0.00 0.00 55.06 52.78 2cwu s HIS 433 Cb 0.00 -2.17 -0.01 0.00 1.11 0.00 0.00 32.58 31.52 2cwu s HIS 433 CO 0.01 -0.88 -0.14 0.42 -0.85 0.00 0.00 174.74 173.30 2cwu s ILE 434 N 1.25 2.84 0.23 0.60 1.01 0.01 -0.68 121.20 126.46 2cwu s ILE 434 Ca 0.05 -0.72 0.08 0.00 0.00 0.00 0.00 60.65 60.06 2cwu s ILE 434 Cb -0.18 -2.20 -0.04 0.00 0.01 0.00 0.00 42.46 40.05 2cwu s ILE 434 CO -0.12 0.52 0.10 -0.36 0.00 0.00 0.00 174.94 175.07 2cwu s PHE 435 N 0.63 2.95 -0.17 3.97 0.40 0.72 -0.48 117.98 126.00 2cwu s PHE 435 Ca -0.08 -0.14 -0.01 0.00 -0.60 0.00 0.00 56.93 56.10 2cwu s PHE 435 Cb -0.16 -1.35 0.05 0.00 0.51 0.00 0.00 43.02 42.07 2cwu s PHE 435 CO 0.03 0.55 -0.01 0.45 0.70 0.00 0.00 175.22 176.94 2cwu s SER 436 N -3.56 2.78 -0.21 1.36 0.15 -0.02 -1.65 113.70 112.54 2cwu s SER 436 Ca 0.31 -0.69 -0.15 0.00 0.70 0.00 0.00 55.95 56.13 2cwu s SER 436 Cb -0.08 -0.75 -0.04 0.00 -1.71 0.00 0.00 66.02 63.44 2cwu s SER 436 CO 0.22 -0.24 0.35 0.00 1.20 0.00 0.00 173.24 174.78 2cwu s ALA 437 N 1.74 3.57 -0.35 5.45 0.00 -0.08 -0.35 121.76 131.75 2cwu s ALA 437 Ca 0.00 -0.62 -0.13 0.00 0.00 0.00 0.00 51.96 51.21 2cwu s ALA 437 Cb -0.16 -2.58 -0.01 0.00 0.00 0.00 0.00 23.12 20.37 2cwu s ALA 437 CO -0.07 -0.31 0.24 0.50 0.00 0.00 0.00 175.76 176.12 2cwu s ARG 438 N 1.33 3.42 -0.41 0.00 3.52 0.65 -1.00 118.95 126.45 2cwu s ARG 438 Ca 0.16 -0.70 -0.02 0.00 -0.13 0.00 0.00 55.73 55.05 2cwu s ARG 438 Cb -0.15 -3.81 0.11 0.00 -1.56 0.00 0.00 34.95 29.54 2cwu s ARG 438 CO 0.07 -0.48 0.20 -0.51 -0.81 0.00 0.00 175.30 173.77 2cwu s LEU 439 N 1.71 5.17 -0.72 -0.88 1.43 0.14 -2.14 118.68 123.39 2cwu s LEU 439 Ca 0.06 -2.12 -0.27 0.00 -1.03 0.00 0.00 54.13 50.77 2cwu s LEU 439 Cb -0.18 -1.80 0.02 0.00 0.03 0.00 0.00 46.19 44.27 2cwu s LEU 439 CO 0.10 -0.50 1.38 -0.62 0.23 0.00 0.00 176.35 176.94 2cwu s ASP 440 N 1.59 6.00 0.59 2.29 2.15 0.20 -0.76 116.67 128.73 2cwu s ASP 440 Ca 0.09 -0.32 -0.17 0.00 0.43 0.00 0.00 52.55 52.59 2cwu s ASP 440 Cb -0.22 -2.55 -0.04 0.00 -0.30 0.00 0.00 42.92 39.81 2cwu s ASP 440 CO -0.05 -1.93 1.08 -0.04 -0.17 0.00 0.00 175.17 174.06 2cwu s MET 441 N 5.97 3.26 -0.40 4.34 -1.94 -1.01 -0.53 119.30 128.98 2cwu s MET 441 Ca 0.41 1.35 0.09 0.00 -1.71 0.00 0.00 55.69 55.84 2cwu s MET 441 Cb -0.09 -2.01 0.39 0.00 2.01 0.00 0.00 34.83 35.13 2cwu s MET 441 CO 0.16 -0.88 1.31 0.00 -0.01 0.00 0.00 175.02 175.59 2cwu n ALA 442 N -1.84 1.20 -1.66 3.03 0.00 -0.43 -4.51 120.51 116.31 2cwu n ALA 442 Ca 0.10 -1.45 -0.41 0.00 0.00 0.00 0.00 53.44 51.68 2cwu n ALA 442 Cb 0.52 -1.01 -0.03 0.00 0.00 0.00 0.00 19.45 18.93 2cwu n ALA 442 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2cwu s ILE 443 N -0.04 3.08 -1.49 0.00 -1.09 -1.04 -1.89 121.20 118.73 2cwu s ILE 443 Ca 0.22 0.07 0.00 0.00 -2.23 0.00 0.00 60.65 58.72 2cwu s ILE 443 Cb 0.39 -3.12 0.00 0.00 -1.58 0.00 0.00 42.46 38.16 2cwu s ILE 443 CO -0.08 -0.08 0.00 0.47 -1.23 0.00 0.00 174.94 174.02 2cwu n ASP 444 N 12.48 -4.49 0.00 3.58 8.00 0.22 -4.57 116.55 131.77 2cwu n ASP 444 Ca 0.30 0.23 0.00 0.00 0.71 0.00 0.00 54.79 56.03 2cwu n ASP 444 Cb 0.48 -3.90 0.00 0.00 -0.02 0.00 0.00 41.12 37.68 2cwu n ASP 444 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2cwu n GLY 445 N -0.64 0.88 0.02 0.44 0.00 -0.79 -4.89 105.19 100.21 2cwu n GLY 445 Ca -0.18 -2.15 0.13 0.00 0.00 0.00 0.00 46.02 43.82 2cwu n GLY 445 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2cwu n PHE 446 N -0.50 0.17 -2.58 1.61 3.72 -1.26 -4.19 117.46 114.44 2cwu n PHE 446 Ca 0.00 0.05 -0.41 0.00 -0.05 0.00 0.00 57.45 57.04 2cwu n PHE 446 Cb 0.00 -0.49 -0.03 0.00 -0.94 0.00 0.00 39.48 38.02 2cwu n PHE 446 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 2cwu s THR 447 N -3.03 3.93 0.32 4.37 2.01 -1.26 -2.88 115.64 119.10 2cwu s THR 447 Ca 0.12 -0.58 0.06 0.00 0.31 0.00 0.00 61.69 61.61 2cwu s THR 447 Cb 0.17 -5.01 -0.06 0.00 0.01 0.00 0.00 72.50 67.61 2cwu s THR 447 CO 0.61 -1.89 -0.02 0.20 -0.69 0.00 0.00 174.62 172.83 2cwu s ASN 448 N 4.65 2.96 0.08 3.53 0.02 -0.44 -4.09 114.94 121.64 2cwu s ASN 448 Ca 0.43 -1.27 -0.16 0.00 -1.02 0.00 0.00 52.86 50.84 2cwu s ASN 448 Cb -0.02 -0.21 0.03 0.00 0.02 0.00 0.00 41.25 41.07 2cwu s ASN 448 CO -0.05 -0.41 0.37 0.00 0.02 0.00 0.00 177.10 177.03 2cwu s ARG 449 N -3.75 0.95 -0.06 -0.60 1.70 -0.32 -0.81 118.95 116.05 2cwu s ARG 449 Ca 0.33 -0.56 0.05 0.00 -0.47 0.00 0.00 55.73 55.08 2cwu s ARG 449 Cb 0.06 0.42 -0.01 0.00 -0.57 0.00 0.00 34.95 34.84 2cwu s ARG 449 CO 0.14 -0.34 -0.23 0.08 -1.08 0.00 0.00 175.30 173.88 2cwu s VAL 450 N -3.08 2.23 -0.04 4.99 1.01 -1.26 -0.98 120.40 123.27 2cwu s VAL 450 Ca -0.01 -1.00 0.06 0.00 0.00 0.00 0.00 61.98 61.03 2cwu s VAL 450 Cb 0.01 -1.83 -0.01 0.00 0.00 0.00 0.00 36.38 34.55 2cwu s VAL 450 CO -0.07 0.57 -0.23 -1.61 0.00 0.00 0.00 175.10 173.76 2cwu s GLU 451 N -0.17 2.08 -0.21 2.72 2.02 0.13 -1.15 118.70 124.12 2cwu s GLU 451 Ca -0.03 -0.82 -0.17 0.00 0.02 0.00 0.00 54.97 53.98 2cwu s GLU 451 Cb -0.14 -1.89 -0.04 0.00 0.10 0.00 0.00 34.13 32.17 2cwu s GLU 451 CO 0.04 0.42 0.44 -2.00 0.02 0.00 0.00 175.26 174.17 2cwu s GLU 452 N -0.32 4.15 -0.21 1.61 2.12 0.10 -0.61 118.70 125.55 2cwu s GLU 452 Ca 0.03 0.25 -0.05 0.00 0.36 0.00 0.00 54.97 55.56 2cwu s GLU 452 Cb -0.11 -3.57 -0.02 0.00 0.26 0.00 0.00 34.13 30.69 2cwu s GLU 452 CO 0.01 -0.12 -0.01 -2.00 -0.54 0.00 0.00 175.26 172.60 2cwu s GLU 453 N 1.57 3.55 0.07 4.30 2.12 -0.04 -1.18 118.70 129.10 2cwu s GLU 453 Ca 0.20 -0.55 0.09 0.00 0.36 0.00 0.00 54.97 55.08 2cwu s GLU 453 Cb -0.15 -3.06 -0.03 0.00 0.26 0.00 0.00 34.13 31.15 2cwu s GLU 453 CO 0.09 -0.04 -0.26 -0.51 -0.54 0.00 0.00 175.26 174.00 2cwu s ASP 454 N 1.13 3.09 0.46 -1.70 1.01 -0.70 -1.53 116.67 118.43 2cwu s ASP 454 Ca 0.02 -0.63 -0.22 0.00 0.71 0.00 0.00 52.55 52.43 2cwu s ASP 454 Cb -0.14 -0.25 -0.08 0.00 1.01 0.00 0.00 42.92 43.46 2cwu s ASP 454 CO 0.01 0.22 1.12 -0.69 0.21 0.00 0.00 175.17 176.04 2cwu s VAL 455 N -0.89 3.33 -0.19 -1.27 1.01 0.14 -1.31 120.40 121.22 2cwu s VAL 455 Ca 0.12 0.96 0.01 0.00 0.00 0.00 0.00 61.98 63.06 2cwu s VAL 455 Cb -0.10 -3.47 0.04 0.00 0.00 0.00 0.00 36.38 32.85 2cwu s VAL 455 CO 0.03 -0.05 -0.12 -0.69 0.00 0.00 0.00 175.10 174.28 2cwu s VAL 456 N -1.65 1.65 0.34 2.92 1.01 0.75 -4.82 120.40 120.61 2cwu s VAL 456 Ca 0.64 -0.93 -0.19 0.00 0.00 0.00 0.00 61.98 61.50 2cwu s VAL 456 Cb -0.25 -1.68 -0.10 0.00 0.00 0.00 0.00 36.38 34.36 2cwu s VAL 456 CO 0.30 0.25 0.83 -0.13 0.00 0.00 0.00 175.10 176.35 2cwu s ARG 457 N 1.41 4.20 0.06 2.72 0.52 -1.26 -0.42 118.95 126.18 2cwu s ARG 457 Ca 0.00 0.94 0.09 0.00 -0.52 0.00 0.00 55.73 56.24 2cwu s ARG 457 Cb -0.15 -2.50 -0.03 0.00 0.52 0.00 0.00 34.95 32.79 2cwu s ARG 457 CO -0.09 0.16 -0.24 -0.65 0.02 0.00 0.00 175.30 174.51 2cwu s GLN 458 N -2.71 1.81 0.19 3.54 -0.21 -1.25 -4.91 119.66 116.12 2cwu s GLN 458 Ca 0.54 -1.12 -0.23 0.00 0.02 0.00 0.00 55.36 54.57 2cwu s GLN 458 Cb -0.12 -2.03 -0.08 0.00 1.00 0.00 0.00 33.01 31.77 2cwu s GLN 458 CO 0.18 0.51 0.76 0.99 -2.12 0.00 0.00 175.29 175.60 2cwu s THR 459 N -0.89 4.44 0.25 -0.19 2.01 -1.26 -4.89 115.64 115.12 2cwu s THR 459 Ca 0.13 1.54 -0.30 0.00 0.31 0.00 0.00 61.69 63.37 2cwu s THR 459 Cb -0.10 -4.02 -0.10 0.00 0.01 0.00 0.00 72.50 68.29 2cwu s THR 459 CO 0.04 0.39 1.41 -0.32 -0.69 0.00 0.00 174.62 175.45 2cwu s MET 460 N -1.50 4.29 0.00 4.92 1.75 -1.26 -4.80 119.30 122.69 2cwu s MET 460 Ca 0.39 2.27 0.00 0.00 -1.25 0.00 0.00 55.69 57.10 2cwu s MET 460 Cb -0.20 -3.11 0.00 0.00 2.84 0.00 0.00 34.83 34.35 2cwu s MET 460 CO 0.24 -0.38 0.00 0.41 -0.65 0.00 0.00 175.02 174.64 2cwu n GLY 461 N 2.03 -0.84 3.65 2.11 0.00 -0.64 -4.97 105.19 106.54 2cwu n GLY 461 Ca 0.06 -1.18 -0.50 0.00 0.00 0.00 0.00 46.02 44.40 2cwu n GLY 461 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2cwu n PRO 462 N 0.00 1.71 0.00 1.61 -0.04 -1.26 0.24 135.00 137.25 2cwu n PRO 462 Ca 0.00 0.62 0.00 0.00 -0.04 0.00 0.00 63.50 64.08 2cwu n PRO 462 Cb 0.00 -2.35 0.00 0.00 -0.04 0.00 0.00 33.50 31.11 2cwu n PRO 462 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2cwu n GLY 463 N 3.37 1.79 2.67 0.55 0.00 -1.26 -4.79 105.19 107.52 2cwu n GLY 463 Ca 0.19 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.13 2cwu n GLY 463 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2cwu n ASN 464 N 0.00 -1.17 -0.00 1.61 5.15 0.14 -5.01 115.26 115.98 2cwu n ASN 464 Ca 0.00 -2.74 0.16 0.00 -0.60 0.00 0.00 54.58 51.40 2cwu n ASN 464 Cb 0.00 0.78 0.62 0.00 -0.53 0.00 0.00 39.78 40.64 2cwu n ASN 464 CO 0.00 0.00 0.00 -0.33 1.40 0.00 0.00 177.26 178.33 2cwu h GLU 465 N 2.41 0.14 -0.01 1.20 3.07 -1.24 -1.00 114.58 119.16 2cwu h GLU 465 Ca -0.19 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.66 2cwu h GLU 465 Cb 1.23 -0.03 0.00 0.00 -0.84 0.00 0.00 28.75 29.10 2cwu h GLU 465 CO 0.11 0.09 -0.25 0.54 -1.40 0.00 0.00 179.01 178.10 2cwu n ARG 466 N -4.43 0.84 -2.92 2.33 1.74 -1.26 -4.58 116.66 108.37 2cwu n ARG 466 Ca 0.08 -0.48 -0.21 0.00 -0.77 0.00 0.00 57.85 56.47 2cwu n ARG 466 Cb 0.47 -1.49 0.03 0.00 -1.02 0.00 0.00 32.46 30.45 2cwu n ARG 466 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2cwu n GLY 467 N 1.34 -0.43 0.01 -0.13 0.00 -0.47 -4.90 105.19 100.60 2cwu n GLY 467 Ca 0.12 0.05 0.08 0.00 0.00 0.00 0.00 46.02 46.28 2cwu n GLY 467 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2cwu n ASN 468 N -2.16 1.29 -4.76 1.61 0.23 -1.26 -4.88 115.26 105.33 2cwu n ASN 468 Ca -0.11 -0.01 -0.39 0.00 -0.53 0.00 0.00 54.58 53.54 2cwu n ASN 468 Cb 0.62 1.73 0.01 0.00 -2.08 0.00 0.00 39.78 40.06 2cwu n ASN 468 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2cwu s ALA 469 N -3.12 3.08 -0.02 -2.53 0.00 -1.26 -5.04 121.76 112.87 2cwu s ALA 469 Ca -0.06 1.27 -0.18 0.00 0.00 0.00 0.00 51.96 52.99 2cwu s ALA 469 Cb 0.10 -3.52 0.03 0.00 0.00 0.00 0.00 23.12 19.74 2cwu s ALA 469 CO 0.67 -1.04 0.39 -0.59 0.00 0.00 0.00 175.76 175.19 2cwu s PHE 470 N -1.31 -0.28 0.00 0.00 -0.12 -1.26 -3.75 117.98 111.26 2cwu s PHE 470 Ca 0.63 0.44 0.00 0.00 -0.05 0.00 0.00 56.93 57.95 2cwu s PHE 470 Cb -0.38 0.16 0.00 0.00 -0.63 0.00 0.00 43.02 42.17 2cwu s PHE 470 CO 0.48 -0.44 0.00 0.45 -0.05 0.00 0.00 175.22 175.66 2cwu n SER 471 N 1.18 0.02 -3.73 1.98 2.88 0.44 -4.98 113.62 111.40 2cwu n SER 471 Ca -0.21 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.23 2cwu n SER 471 Cb 0.56 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.99 2cwu n SER 471 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2cwu s ARG 472 N 1.58 1.40 0.03 -1.46 1.70 -1.26 -0.18 118.95 120.76 2cwu s ARG 472 Ca 0.00 -0.86 0.00 0.00 -0.47 0.00 0.00 55.73 54.40 2cwu s ARG 472 Cb 0.00 0.53 -0.03 0.00 -0.57 0.00 0.00 34.95 34.88 2cwu s ARG 472 CO 0.00 -0.60 -0.04 -1.59 -1.08 0.00 0.00 175.30 172.00 2cwu s LYS 473 N -3.87 0.41 -0.05 3.89 -2.85 -0.43 -4.80 119.74 112.04 2cwu s LYS 473 Ca 0.09 -0.77 0.03 0.00 -1.00 0.00 0.00 55.97 54.32 2cwu s LYS 473 Cb -0.01 0.08 0.00 0.00 -2.06 0.00 0.00 37.83 35.85 2cwu s LYS 473 CO -0.03 -0.05 -0.14 1.03 0.10 0.00 0.00 175.35 176.26 2cwu s ARG 474 N -2.05 1.68 -0.19 1.78 0.52 -1.26 -1.72 118.95 117.72 2cwu s ARG 474 Ca -0.10 -0.49 0.00 0.00 -0.52 0.00 0.00 55.73 54.62 2cwu s ARG 474 Cb -0.06 -1.42 0.02 0.00 0.52 0.00 0.00 34.95 34.01 2cwu s ARG 474 CO -0.03 0.13 -0.18 0.99 0.02 0.00 0.00 175.30 176.23 2cwu s THR 475 N 0.34 2.22 0.10 0.02 2.01 -0.32 -4.90 115.64 115.10 2cwu s THR 475 Ca -0.09 -0.91 -0.30 0.00 0.31 0.00 0.00 61.69 60.70 2cwu s THR 475 Cb -0.13 -1.96 -0.06 0.00 0.01 0.00 0.00 72.50 70.36 2cwu s THR 475 CO 0.03 0.50 1.07 -0.69 -0.69 0.00 0.00 174.62 174.84 2cwu s VAL 476 N 1.31 4.25 -0.48 3.82 1.01 -1.26 -0.72 120.40 128.32 2cwu s VAL 476 Ca 0.05 1.77 -0.21 0.00 0.00 0.00 0.00 61.98 63.58 2cwu s VAL 476 Cb -0.13 -4.13 0.04 0.00 0.00 0.00 0.00 36.38 32.15 2cwu s VAL 476 CO -0.12 0.22 0.71 -0.76 0.00 0.00 0.00 175.10 175.16 2cwu s LEU 477 N 0.34 4.55 0.01 3.92 1.43 -0.30 -4.92 118.68 123.72 2cwu s LEU 477 Ca 0.52 -0.51 0.13 0.00 -1.03 0.00 0.00 54.13 53.23 2cwu s LEU 477 Cb -0.26 -2.68 -0.20 0.00 0.03 0.00 0.00 46.19 43.08 2cwu s LEU 477 CO 0.31 -0.92 0.81 0.71 0.23 0.00 0.00 176.35 177.49 2cwu h THR 478 N 5.91 0.89 -3.89 5.49 1.35 -1.90 -3.39 112.91 117.37 2cwu h THR 478 Ca -0.26 -2.63 -0.34 0.00 -0.55 0.00 0.00 66.41 62.63 2cwu h THR 478 Cb 1.09 2.39 -0.20 0.00 -1.73 0.00 0.00 68.15 69.70 2cwu h THR 478 CO 0.96 0.51 -0.75 -0.13 -0.25 0.00 0.00 175.52 175.86 2cwu s ARG 479 N -2.69 0.73 0.44 4.72 1.81 -1.26 -1.53 118.95 121.16 2cwu s ARG 479 Ca -0.03 -0.95 0.14 0.00 -1.72 0.00 0.00 55.73 53.17 2cwu s ARG 479 Cb 0.08 -0.56 1.05 0.00 -0.45 0.00 0.00 34.95 35.08 2cwu s ARG 479 CO 0.82 0.11 1.99 0.93 -0.68 0.00 0.00 175.30 178.47 2cwu h GLU 480 N 4.14 0.36 0.00 3.54 5.08 -1.63 -1.40 114.58 124.67 2cwu h GLU 480 Ca -0.38 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 57.96 2cwu h GLU 480 Cb 1.19 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 30.36 2cwu h GLU 480 CO 0.44 0.24 -0.00 0.66 -1.00 0.00 0.00 179.01 179.35 2cwu h SER 481 N 0.37 0.00 -0.21 1.42 4.64 -1.88 -0.81 113.55 117.08 2cwu h SER 481 Ca 0.25 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.57 2cwu h SER 481 Cb 0.51 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.60 2cwu h SER 481 CO -0.06 0.00 0.00 -1.84 -0.87 0.00 0.00 176.83 174.06 2cwu n GLU 482 N -3.18 2.67 -0.85 4.77 0.28 -0.54 -4.62 120.64 119.17 2cwu n GLU 482 Ca -0.03 -2.40 -0.04 0.00 -0.16 0.00 0.00 57.16 54.54 2cwu n GLU 482 Cb 0.10 -1.51 0.25 0.00 1.43 0.00 0.00 31.44 31.71 2cwu n GLU 482 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2cwu n ALA 483 N -0.34 4.23 -3.57 -1.84 0.00 -0.31 -4.82 120.51 113.86 2cwu n ALA 483 Ca 0.15 -2.61 -0.39 0.00 0.00 0.00 0.00 53.44 50.58 2cwu n ALA 483 Cb 0.63 -1.00 -0.10 0.00 0.00 0.00 0.00 19.45 18.98 2cwu n ALA 483 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2cwu s VAL 484 N -3.06 3.95 0.21 0.00 1.01 -1.26 -2.07 120.40 119.18 2cwu s VAL 484 Ca 0.49 -1.78 0.08 0.00 0.00 0.00 0.00 61.98 60.77 2cwu s VAL 484 Cb 0.41 -3.59 -0.04 0.00 0.00 0.00 0.00 36.38 33.16 2cwu s VAL 484 CO 0.08 -0.70 0.01 -0.13 0.00 0.00 0.00 175.10 174.37 2cwu s ARG 485 N 1.31 2.38 0.22 2.72 1.81 0.93 -5.00 118.95 123.32 2cwu s ARG 485 Ca 0.06 -1.21 0.09 0.00 -1.72 0.00 0.00 55.73 52.94 2cwu s ARG 485 Cb -0.25 -2.30 -0.04 0.00 -0.45 0.00 0.00 34.95 31.92 2cwu s ARG 485 CO -0.01 0.42 -0.05 -1.21 -0.68 0.00 0.00 175.30 173.77 2cwu s GLU 486 N -3.24 2.18 0.70 3.54 2.02 -1.26 -1.88 118.70 120.76 2cwu s GLU 486 Ca 0.29 -1.34 -0.11 0.00 0.02 0.00 0.00 54.97 53.83 2cwu s GLU 486 Cb -0.08 -2.16 0.01 0.00 0.10 0.00 0.00 34.13 31.99 2cwu s GLU 486 CO 0.19 0.40 1.07 0.00 0.02 0.00 0.00 175.26 176.94 2cwu s ALA 487 N -2.00 2.74 -0.47 5.21 0.00 -1.26 -4.93 121.76 121.04 2cwu s ALA 487 Ca 0.28 -0.09 0.06 0.00 0.00 0.00 0.00 51.96 52.22 2cwu s ALA 487 Cb -0.08 -3.11 0.18 0.00 0.00 0.00 0.00 23.12 20.11 2cwu s ALA 487 CO 0.17 -1.17 0.61 0.34 0.00 0.00 0.00 175.76 175.71 2cwu s ASP 488 N -4.01 -0.62 0.29 0.00 -1.08 -1.26 -5.02 116.67 104.97 2cwu s ASP 488 Ca 0.58 -1.95 -0.02 0.00 -0.52 0.00 0.00 52.55 50.64 2cwu s ASP 488 Cb -0.13 1.27 0.44 0.00 -1.46 0.00 0.00 42.92 43.04 2cwu s ASP 488 CO 0.54 -0.10 1.94 0.00 0.52 0.00 0.00 175.17 178.06 2cwu h ALA 489 N 5.47 1.42 -0.66 3.66 0.00 -1.93 -2.23 119.26 124.98 2cwu h ALA 489 Ca 0.11 -0.05 0.13 0.00 0.00 0.00 0.00 54.91 55.10 2cwu h ALA 489 Cb 1.07 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 18.49 2cwu h ALA 489 CO 0.11 0.50 0.44 -0.09 0.00 0.00 0.00 179.25 180.21 2cwu h ARG 490 N 1.14 0.36 -0.44 0.00 2.43 -1.99 -0.46 114.38 115.42 2cwu h ARG 490 Ca 0.36 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.50 2cwu h ARG 490 Cb 0.00 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.47 2cwu h ARG 490 CO -0.10 0.24 0.00 0.25 -1.51 0.00 0.00 179.97 178.84 2cwu n THR 491 N -4.46 2.40 -3.99 0.20 -2.24 -0.96 -4.96 114.28 100.27 2cwu n THR 491 Ca 0.12 -1.58 -0.32 0.00 -2.27 0.00 0.00 64.05 60.00 2cwu n THR 491 Cb 0.46 -0.20 0.01 0.00 -2.10 0.00 0.00 70.33 68.51 2cwu n THR 491 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2cwu n GLY 492 N 0.17 -0.47 3.72 3.38 0.00 -0.18 -0.69 105.19 111.12 2cwu n GLY 492 Ca 0.24 0.18 -0.42 0.00 0.00 0.00 0.00 46.02 46.02 2cwu n GLY 492 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2cwu s ARG 493 N -6.69 4.24 0.30 1.61 3.52 -0.88 -4.56 118.95 116.48 2cwu s ARG 493 Ca 0.66 2.31 0.03 0.00 -0.13 0.00 0.00 55.73 58.59 2cwu s ARG 493 Cb -0.34 -3.17 -0.04 0.00 -1.56 0.00 0.00 34.95 29.84 2cwu s ARG 493 CO 0.86 -0.57 0.15 0.95 -0.81 0.00 0.00 175.30 175.88 2cwu s THR 494 N 1.12 0.34 -0.05 4.11 -4.23 -0.58 -4.75 115.64 111.59 2cwu s THR 494 Ca 0.69 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 59.22 2cwu s THR 494 Cb -0.42 -2.52 0.01 0.00 1.34 0.00 0.00 72.50 70.91 2cwu s THR 494 CO 0.31 0.00 -0.10 0.26 -0.54 0.00 0.00 174.62 174.56 2cwu s TRP 495 N -3.64 1.17 -0.17 3.99 0.51 -1.18 -0.86 118.94 118.77 2cwu s TRP 495 Ca 0.36 -0.39 -0.05 0.00 -2.12 0.00 0.00 56.10 53.90 2cwu s TRP 495 Cb 0.05 -0.89 -0.03 0.00 -0.81 0.00 0.00 33.47 31.79 2cwu s TRP 495 CO 0.17 -0.22 -0.01 0.42 -0.51 0.00 0.00 176.95 176.80 2cwu s ILE 496 N 0.66 4.06 -0.26 2.03 1.01 0.22 -0.25 121.20 128.67 2cwu s ILE 496 Ca -0.12 -0.29 -0.09 0.00 0.00 0.00 0.00 60.65 60.15 2cwu s ILE 496 Cb -0.14 -2.80 -0.04 0.00 0.01 0.00 0.00 42.46 39.49 2cwu s ILE 496 CO 0.02 0.47 0.12 -0.63 0.00 0.00 0.00 174.94 174.93 2cwu s ILE 497 N 0.50 4.79 0.30 2.92 1.09 0.02 -0.69 121.20 130.12 2cwu s ILE 497 Ca -0.02 -0.01 0.03 0.00 -1.10 0.00 0.00 60.65 59.55 2cwu s ILE 497 Cb -0.14 -3.25 -0.06 0.00 -1.06 0.00 0.00 42.46 37.95 2cwu s ILE 497 CO 0.02 0.31 0.07 -0.94 -0.10 0.00 0.00 174.94 174.31 2cwu s SER 498 N 1.56 1.92 -0.31 3.58 1.04 -0.15 -1.08 113.70 120.25 2cwu s SER 498 Ca 0.06 -1.38 0.01 0.00 0.48 0.00 0.00 55.95 55.12 2cwu s SER 498 Cb -0.15 0.01 0.07 0.00 0.10 0.00 0.00 66.02 66.05 2cwu s SER 498 CO 0.06 -0.65 0.01 0.21 0.98 0.00 0.00 173.24 173.85 2cwu s ASN 499 N -3.42 4.79 0.32 7.02 3.84 -0.76 -1.17 114.94 125.56 2cwu s ASN 499 Ca 0.37 -1.60 0.24 0.00 0.21 0.00 0.00 52.86 52.08 2cwu s ASN 499 Cb 0.08 -1.67 1.14 0.00 -0.55 0.00 0.00 41.25 40.26 2cwu s ASN 499 CO 0.15 -0.31 1.72 1.55 -2.79 0.00 0.00 177.10 177.43 2cwu h PRO 500 N 7.86 0.00 -0.08 0.43 0.13 -1.88 -2.54 132.00 135.92 2cwu h PRO 500 Ca -0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.97 2cwu h PRO 500 Cb 1.04 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.17 2cwu h PRO 500 CO 0.53 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.69 2cwu n GLU 501 N -2.32 2.23 -3.89 0.86 1.02 -1.26 -4.83 120.64 112.46 2cwu n GLU 501 Ca 0.00 -1.93 -0.29 0.00 -0.02 0.00 0.00 57.16 54.93 2cwu n GLU 501 Cb 0.14 -1.45 -0.16 0.00 -0.02 0.00 0.00 31.44 29.94 2cwu n GLU 501 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2cwu s SER 502 N -1.85 3.23 0.11 1.62 0.15 -0.95 -5.11 113.70 110.90 2cwu s SER 502 Ca 0.28 -0.88 0.06 0.00 0.70 0.00 0.00 55.95 56.11 2cwu s SER 502 Cb 0.20 -0.97 -0.04 0.00 -1.71 0.00 0.00 66.02 63.50 2cwu s SER 502 CO 0.29 -0.22 -0.02 -0.54 1.20 0.00 0.00 173.24 173.95 2cwu s LYS 503 N 1.58 2.45 0.91 5.44 1.02 -1.26 -0.89 119.74 128.98 2cwu s LYS 503 Ca -0.02 -0.92 -0.15 0.00 0.02 0.00 0.00 55.97 54.90 2cwu s LYS 503 Cb -0.17 -2.47 0.21 0.00 -0.52 0.00 0.00 37.83 34.88 2cwu s LYS 503 CO -0.07 0.52 1.23 0.27 -0.92 0.00 0.00 175.35 176.38 2cwu n ASN 504 N 0.45 0.14 0.06 2.83 0.23 0.31 -4.85 115.26 114.43 2cwu n ASN 504 Ca -0.11 -1.47 0.06 0.00 -0.53 0.00 0.00 54.58 52.53 2cwu n ASN 504 Cb 0.53 -0.94 0.29 0.00 -2.08 0.00 0.00 39.78 37.58 2cwu n ASN 504 CO 0.00 0.00 0.00 -2.11 -0.93 0.00 0.00 177.26 174.22 2cwu n ARG 505 N -3.60 0.07 -0.57 -3.83 1.85 -1.26 -1.16 116.66 108.14 2cwu n ARG 505 Ca 0.16 0.47 0.09 0.00 -1.00 0.00 0.00 57.85 57.56 2cwu n ARG 505 Cb 0.54 -1.67 0.33 0.00 -1.05 0.00 0.00 32.46 30.61 2cwu n ARG 505 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 2cwu n LEU 506 N -1.81 4.42 -2.37 2.89 4.77 -1.26 -4.93 117.00 118.72 2cwu n LEU 506 Ca 0.01 -2.23 -0.18 0.00 -0.03 0.00 0.00 56.01 53.58 2cwu n LEU 506 Cb 0.08 -0.56 0.02 0.00 -2.33 0.00 0.00 43.42 40.63 2cwu n LEU 506 CO 0.08 0.75 -0.06 -3.20 -1.33 0.00 0.00 177.39 173.63 2cwu n ASN 507 N 1.02 -5.27 -4.34 -1.43 4.05 -0.31 -5.02 115.26 103.96 2cwu n ASN 507 Ca 0.24 -0.18 -0.32 0.00 0.45 0.00 0.00 54.58 54.77 2cwu n ASN 507 Cb 0.83 -4.18 -0.15 0.00 1.23 0.00 0.00 39.78 37.51 2cwu n ASN 507 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 177.26 172.60 2cwu s GLU 508 N -5.32 2.48 0.18 1.20 0.41 -1.25 -4.88 118.70 111.53 2cwu s GLU 508 Ca 0.18 -0.84 -0.33 0.00 -0.41 0.00 0.00 54.97 53.57 2cwu s GLU 508 Cb -0.08 -2.22 -0.14 0.00 -1.78 0.00 0.00 34.13 29.91 2cwu s GLU 508 CO 0.22 0.48 1.53 -2.30 -0.49 0.00 0.00 175.26 174.70 2cwu n PRO 509 N 2.69 2.13 -2.05 0.39 -0.02 -1.26 -0.53 135.00 136.34 2cwu n PRO 509 Ca -0.17 0.76 -0.35 0.00 -2.02 0.00 0.00 63.50 61.72 2cwu n PRO 509 Cb 0.52 -2.50 0.03 0.00 -0.02 0.00 0.00 33.50 31.52 2cwu n PRO 509 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 2cwu s VAL 510 N 0.63 2.88 0.28 -1.45 -7.23 -0.07 -4.80 120.40 110.64 2cwu s VAL 510 Ca 0.76 0.53 -0.20 0.00 -1.81 0.00 0.00 61.98 61.25 2cwu s VAL 510 Cb -0.67 -3.18 0.05 0.00 0.56 0.00 0.00 36.38 33.14 2cwu s VAL 510 CO 0.41 -0.14 0.85 -0.83 -0.31 0.00 0.00 175.10 175.08 2cwu s GLY 511 N -1.78 0.10 -0.01 2.32 0.00 -1.05 -1.83 107.32 105.07 2cwu s GLY 511 Ca 0.74 -0.41 0.02 0.00 0.00 0.00 0.00 44.72 45.08 2cwu s GLY 511 CO 0.32 0.30 -0.07 -0.19 0.00 0.00 0.00 173.10 173.46 2cwu s TYR 512 N -2.87 0.70 -0.21 1.90 1.51 -0.24 0.04 117.35 118.17 2cwu s TYR 512 Ca 0.15 -0.14 -0.06 0.00 -1.01 0.00 0.00 57.07 56.01 2cwu s TYR 512 Cb -0.04 -0.46 -0.03 0.00 -0.11 0.00 0.00 41.96 41.31 2cwu s TYR 512 CO 0.08 -0.03 0.03 0.21 -1.11 0.00 0.00 175.55 174.73 2cwu s LYS 513 N -0.09 3.69 -0.22 -0.62 2.20 0.10 -0.80 119.74 124.01 2cwu s LYS 513 Ca 0.02 -0.48 -0.22 0.00 -0.36 0.00 0.00 55.97 54.93 2cwu s LYS 513 Cb -0.04 -3.17 -0.02 0.00 -1.51 0.00 0.00 37.83 33.10 2cwu s LYS 513 CO -0.00 0.01 0.71 -1.17 -0.36 0.00 0.00 175.35 174.54 2cwu s LEU 514 N 1.04 4.11 -0.31 5.43 2.96 0.65 -1.09 118.68 131.47 2cwu s LEU 514 Ca 0.03 0.91 -0.08 0.00 -0.22 0.00 0.00 54.13 54.77 2cwu s LEU 514 Cb -0.14 -3.01 0.01 0.00 0.50 0.00 0.00 46.19 43.55 2cwu s LEU 514 CO 0.02 -0.37 0.10 -1.00 -1.32 0.00 0.00 176.35 173.78 2cwu s HIS 515 N 2.31 3.17 0.36 5.38 3.76 0.78 -3.10 115.29 127.95 2cwu s HIS 515 Ca 0.31 -0.94 0.00 0.00 -0.15 0.00 0.00 55.06 54.29 2cwu s HIS 515 Cb -0.16 -2.29 -0.03 0.00 1.11 0.00 0.00 32.58 31.21 2cwu s HIS 515 CO 0.10 -0.57 0.57 0.00 -0.85 0.00 0.00 174.74 173.98 2cwu s ALA 516 N 1.52 3.69 -0.94 -1.40 0.00 -1.26 -2.40 121.76 120.96 2cwu s ALA 516 Ca 0.03 -0.91 0.27 0.00 0.00 0.00 0.00 51.96 51.35 2cwu s ALA 516 Cb -0.17 -2.13 0.88 0.00 0.00 0.00 0.00 23.12 21.69 2cwu s ALA 516 CO 0.03 -0.07 1.69 0.72 0.00 0.00 0.00 175.76 178.14 2cwu n HIS 517 N -1.84 0.15 -3.62 0.00 8.25 -1.26 -4.95 115.22 111.95 2cwu n HIS 517 Ca -0.04 0.04 -0.25 0.00 -0.26 0.00 0.00 57.72 57.21 2cwu n HIS 517 Cb 0.56 -0.48 0.06 0.00 1.12 0.00 0.00 29.99 31.26 2cwu n HIS 517 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 2cwu n ASN 518 N -1.63 -5.99 -4.86 0.41 3.02 -1.26 -5.00 115.26 99.94 2cwu n ASN 518 Ca 0.06 -0.57 -0.31 0.00 -0.03 0.00 0.00 54.58 53.73 2cwu n ASN 518 Cb 0.36 -4.74 0.01 0.00 -0.61 0.00 0.00 39.78 34.80 2cwu n ASN 518 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 2cwu s GLN 519 N -6.33 3.61 0.56 3.52 -1.52 -1.26 -4.98 119.66 113.26 2cwu s GLN 519 Ca 0.58 0.79 -0.21 0.00 -1.95 0.00 0.00 55.36 54.57 2cwu s GLN 519 Cb -0.27 -2.08 -0.05 0.00 -0.22 0.00 0.00 33.01 30.40 2cwu s GLN 519 CO 0.72 -0.56 1.30 -2.30 -0.25 0.00 0.00 175.29 174.20 2cwu n PRO 520 N -2.62 1.52 -0.50 2.91 -0.02 -1.26 -4.83 135.00 130.19 2cwu n PRO 520 Ca 0.06 0.56 0.00 0.00 -2.02 0.00 0.00 63.50 62.10 2cwu n PRO 520 Cb 0.54 -2.51 0.00 0.00 -0.02 0.00 0.00 33.50 31.51 2cwu n PRO 520 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 2cwu n THR 521 N -1.21 0.00 -1.66 3.45 -2.24 -1.26 -4.60 114.28 106.75 2cwu n THR 521 Ca 0.12 0.00 -0.53 0.00 -2.27 0.00 0.00 64.05 61.37 2cwu n THR 521 Cb 0.45 -1.24 -0.06 0.00 -2.10 0.00 0.00 70.33 67.38 2cwu n THR 521 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 2cwu n LEU 522 N 0.00 2.37 0.08 3.22 7.94 0.14 -4.88 117.00 125.87 2cwu n LEU 522 Ca 0.00 1.08 0.07 0.00 -1.11 0.00 0.00 56.01 56.04 2cwu n LEU 522 Cb 0.00 -1.23 -0.03 0.00 0.53 0.00 0.00 43.42 42.69 2cwu n LEU 522 CO 0.00 -0.57 -0.08 -0.07 -1.11 0.00 0.00 177.39 175.56 2cwu h LEU 523 N 6.41 0.00 -9.66 -1.96 3.38 -1.93 -3.46 115.31 108.09 2cwu h LEU 523 Ca -0.47 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 56.93 2cwu h LEU 523 Cb 1.31 0.00 0.18 0.00 0.09 0.00 0.00 40.66 42.24 2cwu h LEU 523 CO 0.89 0.24 -0.30 0.00 0.09 0.00 0.00 178.44 179.35 2cwu n ALA 524 N -2.26 -1.15 -1.74 1.53 0.00 -1.26 -4.89 120.51 110.73 2cwu n ALA 524 Ca -0.04 -0.16 -0.42 0.00 0.00 0.00 0.00 53.44 52.82 2cwu n ALA 524 Cb 0.67 -1.89 -0.01 0.00 0.00 0.00 0.00 19.45 18.22 2cwu n ALA 524 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2cwu n ASP 525 N -0.27 3.48 0.29 0.00 -0.08 -1.26 -4.86 116.55 113.85 2cwu n ASP 525 Ca 0.11 1.20 0.17 0.00 -1.51 0.00 0.00 54.79 54.76 2cwu n ASP 525 Cb 0.49 -1.57 0.90 0.00 2.34 0.00 0.00 41.12 43.28 2cwu n ASP 525 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 2cwu h PRO 526 N 3.31 0.00 -0.14 -0.67 0.13 -1.97 -0.89 132.00 131.76 2cwu h PRO 526 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2cwu h PRO 526 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 2cwu h PRO 526 CO 0.68 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.86 2cwu n GLY 527 N -1.18 0.86 3.80 1.56 0.00 -1.26 -4.68 105.19 104.29 2cwu n GLY 527 Ca -0.02 -0.61 -0.31 0.00 0.00 0.00 0.00 46.02 45.08 2cwu n GLY 527 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2cwu s SER 528 N -1.79 5.03 0.17 1.61 1.04 -0.34 -4.96 113.70 114.46 2cwu s SER 528 Ca 0.34 1.61 -0.13 0.00 0.48 0.00 0.00 55.95 58.24 2cwu s SER 528 Cb 0.20 -2.42 0.07 0.00 0.10 0.00 0.00 66.02 63.97 2cwu s SER 528 CO 0.31 -1.67 1.76 -1.28 0.98 0.00 0.00 173.24 173.34 2cwu h SER 529 N -0.87 0.73 0.06 7.02 0.87 -1.89 -2.76 113.55 116.70 2cwu h SER 529 Ca -0.44 -0.12 -0.08 0.00 -1.23 0.00 0.00 61.79 59.92 2cwu h SER 529 Cb 1.22 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 62.99 2cwu h SER 529 CO 0.56 0.64 -0.24 -0.29 -0.53 0.00 0.00 176.83 176.97 2cwu h ILE 530 N 0.76 1.24 -0.03 2.23 6.09 -1.92 0.05 117.51 125.93 2cwu h ILE 530 Ca 0.20 -1.13 -0.06 0.00 -1.37 0.00 0.00 64.86 62.49 2cwu h ILE 530 Cb 0.09 1.38 -0.01 0.00 0.47 0.00 0.00 36.82 38.75 2cwu h ILE 530 CO -0.03 0.35 -0.27 0.00 -3.07 0.00 0.00 178.15 175.13 2cwu h ALA 531 N 1.47 1.50 0.11 0.18 0.00 -1.73 0.39 119.26 121.19 2cwu h ALA 531 Ca 0.05 -0.26 -0.16 0.00 0.00 0.00 0.00 54.91 54.54 2cwu h ALA 531 Cb 0.58 -0.05 0.02 0.00 0.00 0.00 0.00 17.79 18.33 2cwu h ALA 531 CO 0.04 0.37 -0.70 0.00 0.00 0.00 0.00 179.25 178.96 2cwu h ARG 532 N 0.04 0.23 0.00 0.00 3.08 -1.18 -2.59 114.38 113.96 2cwu h ARG 532 Ca 0.00 -0.40 -0.10 0.00 0.07 0.00 0.00 59.98 59.55 2cwu h ARG 532 Cb 0.51 0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.69 2cwu h ARG 532 CO 0.04 1.19 -0.50 0.00 -1.07 0.00 0.00 179.97 179.63 2cwu h ARG 533 N -0.50 0.00 -0.95 0.04 3.08 -0.86 -3.12 114.38 112.07 2cwu h ARG 533 Ca -0.13 0.00 -0.58 0.00 0.07 0.00 0.00 59.98 59.34 2cwu h ARG 533 Cb 1.52 0.00 -0.41 0.00 0.08 0.00 0.00 29.97 31.17 2cwu h ARG 533 CO 0.11 0.50 -0.52 0.00 -1.07 0.00 0.00 179.97 178.98 2cwu n ALA 534 N -2.39 5.25 -0.30 0.04 0.00 0.14 -4.84 120.51 118.40 2cwu n ALA 534 Ca -0.01 -3.85 0.18 0.00 0.00 0.00 0.00 53.44 49.76 2cwu n ALA 534 Cb 0.54 -0.60 0.45 0.00 0.00 0.00 0.00 19.45 19.84 2cwu n ALA 534 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2cwu h ALA 535 N 2.25 2.04 -0.43 0.00 0.00 -1.39 -0.09 119.26 121.64 2cwu h ALA 535 Ca 0.40 0.05 0.08 0.00 0.00 0.00 0.00 54.91 55.44 2cwu h ALA 535 Cb 1.30 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.03 2cwu h ALA 535 CO 0.91 -0.40 0.30 0.27 0.00 0.00 0.00 179.25 180.33 2cwu h PHE 536 N 0.52 0.25 0.00 0.00 -0.00 -1.86 -1.67 116.94 114.18 2cwu h PHE 536 Ca 0.55 0.01 0.00 0.00 -0.00 0.00 0.00 57.97 58.52 2cwu h PHE 536 Cb 1.19 -0.08 0.00 0.00 -0.00 0.00 0.00 35.95 37.06 2cwu h PHE 536 CO -0.00 0.13 0.00 0.00 -0.00 0.00 0.00 178.31 178.43 2cwu n ALA 537 N -2.55 2.09 0.98 12.09 0.00 -0.04 -3.06 120.51 130.01 2cwu n ALA 537 Ca 0.06 -0.10 0.12 0.00 0.00 0.00 0.00 53.44 53.53 2cwu n ALA 537 Cb 0.33 -1.34 0.33 0.00 0.00 0.00 0.00 19.45 18.77 2cwu n ALA 537 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2cwu n THR 538 N -1.29 0.02 -4.15 0.00 -2.24 -0.63 -0.68 114.28 105.31 2cwu n THR 538 Ca 0.10 -0.01 -0.16 0.00 -2.27 0.00 0.00 64.05 61.70 2cwu n THR 538 Cb 0.17 0.07 -0.12 0.00 -2.10 0.00 0.00 70.33 68.35 2cwu n THR 538 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2cwu s LYS 539 N -3.01 0.69 0.17 -0.78 -0.14 -1.17 -4.77 119.74 110.73 2cwu s LYS 539 Ca 0.11 -0.80 0.02 0.00 -1.36 0.00 0.00 55.97 53.94 2cwu s LYS 539 Cb 0.18 -0.60 0.00 0.00 -1.68 0.00 0.00 37.83 35.73 2cwu s LYS 539 CO 0.66 0.13 1.38 -0.44 -0.76 0.00 0.00 175.35 176.33 2cwu h ASP 540 N 4.57 0.30 -3.64 2.83 5.19 -1.71 -3.39 116.42 120.58 2cwu h ASP 540 Ca -0.38 -0.23 -0.19 0.00 -0.62 0.00 0.00 57.03 55.61 2cwu h ASP 540 Cb 1.19 -0.09 -0.28 0.00 0.18 0.00 0.00 39.33 40.33 2cwu h ASP 540 CO 0.41 1.02 -0.51 -0.22 -3.12 0.00 0.00 179.24 176.82 2cwu s LEU 541 N -7.52 0.99 0.04 1.55 2.96 -0.79 -0.93 118.68 114.98 2cwu s LEU 541 Ca -0.03 0.40 0.04 0.00 -0.22 0.00 0.00 54.13 54.32 2cwu s LEU 541 Cb 0.10 0.62 -0.02 0.00 0.50 0.00 0.00 46.19 47.39 2cwu s LEU 541 CO 0.83 -0.10 -0.13 0.26 -1.32 0.00 0.00 176.35 175.89 2cwu s TRP 542 N 0.55 1.13 -0.08 5.38 0.52 -0.39 -0.05 118.94 126.00 2cwu s TRP 542 Ca -0.04 -0.36 0.01 0.00 0.02 0.00 0.00 56.10 55.74 2cwu s TRP 542 Cb -0.05 -0.67 0.02 0.00 -1.15 0.00 0.00 33.47 31.62 2cwu s TRP 542 CO -0.03 0.02 -0.09 0.08 0.02 0.00 0.00 176.95 176.96 2cwu s VAL 543 N -0.88 0.95 0.29 4.03 1.01 -0.88 -0.43 120.40 124.48 2cwu s VAL 543 Ca 0.00 -0.31 0.08 0.00 0.00 0.00 0.00 61.98 61.75 2cwu s VAL 543 Cb -0.08 -0.93 -0.06 0.00 0.00 0.00 0.00 36.38 35.32 2cwu s VAL 543 CO 0.01 0.33 -0.08 0.42 0.00 0.00 0.00 175.10 175.78 2cwu s THR 544 N 1.16 1.83 0.07 3.92 -4.23 -0.19 -4.70 115.64 113.51 2cwu s THR 544 Ca -0.06 -2.17 -0.26 0.00 -1.18 0.00 0.00 61.69 58.03 2cwu s THR 544 Cb -0.14 -2.44 -0.06 0.00 1.34 0.00 0.00 72.50 71.20 2cwu s THR 544 CO -0.02 -0.31 0.79 -0.60 -0.54 0.00 0.00 174.62 173.94 2cwu s ARG 545 N -3.68 4.53 0.35 3.99 6.06 -1.26 -0.55 118.95 128.39 2cwu s ARG 545 Ca 0.29 1.13 -0.28 0.00 -2.50 0.00 0.00 55.73 54.37 2cwu s ARG 545 Cb 0.02 -3.35 -0.12 0.00 0.06 0.00 0.00 34.95 31.57 2cwu s ARG 545 CO 0.13 0.32 1.43 0.98 -2.50 0.00 0.00 175.30 175.65 2cwu n TYR 546 N 2.60 2.68 -3.72 5.12 4.19 0.66 -4.81 117.16 123.87 2cwu n TYR 546 Ca -0.02 0.46 -0.12 0.00 3.31 0.00 0.00 57.90 61.53 2cwu n TYR 546 Cb 0.50 -2.49 -0.11 0.00 0.49 0.00 0.00 39.34 37.73 2cwu n TYR 546 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 2cwu s ALA 547 N -0.92 -0.98 0.30 2.98 0.00 -1.26 -5.01 121.76 116.87 2cwu s ALA 547 Ca 0.56 1.27 0.05 0.00 0.00 0.00 0.00 51.96 53.84 2cwu s ALA 547 Cb -0.52 -0.76 0.70 0.00 0.00 0.00 0.00 23.12 22.54 2cwu s ALA 547 CO 0.61 -0.22 1.79 -0.44 0.00 0.00 0.00 175.76 177.50 2cwu h ASP 548 N 6.28 0.81 -0.30 0.00 3.32 -2.03 -2.48 116.42 122.02 2cwu h ASP 548 Ca -0.32 0.09 0.00 0.00 0.02 0.00 0.00 57.03 56.82 2cwu h ASP 548 Cb 1.18 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.67 2cwu h ASP 548 CO 0.28 0.32 0.00 -0.90 -1.72 0.00 0.00 179.24 177.22 2cwu n ASP 549 N -4.74 2.23 -4.24 6.45 5.75 -1.26 -4.62 116.55 116.12 2cwu n ASP 549 Ca 0.23 -1.86 -0.42 0.00 -0.01 0.00 0.00 54.79 52.72 2cwu n ASP 549 Cb 0.53 -0.20 -0.04 0.00 -1.03 0.00 0.00 41.12 40.39 2cwu n ASP 549 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 2cwu s GLU 550 N -1.60 3.55 -0.26 0.11 2.02 -0.94 -4.83 118.70 116.74 2cwu s GLU 550 Ca 0.32 -2.89 0.01 0.00 0.02 0.00 0.00 54.97 52.43 2cwu s GLU 550 Cb 0.18 -4.25 -0.17 0.00 0.10 0.00 0.00 34.13 29.99 2cwu s GLU 550 CO 0.25 -1.25 -0.22 0.54 0.02 0.00 0.00 175.26 174.60 2cwu n ARG 551 N 3.13 0.65 -4.49 1.61 1.74 -1.26 -4.80 116.66 113.24 2cwu n ARG 551 Ca 0.18 0.16 -0.26 0.00 -0.77 0.00 0.00 57.85 57.15 2cwu n ARG 551 Cb 0.41 -1.52 -0.13 0.00 -1.02 0.00 0.00 32.46 30.19 2cwu n ARG 551 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 2cwu s TYR 552 N -2.52 2.00 -0.26 -1.55 2.02 -1.26 -4.93 117.35 110.84 2cwu s TYR 552 Ca -0.35 -0.40 0.26 0.00 -0.37 0.00 0.00 57.07 56.21 2cwu s TYR 552 Cb 0.09 -1.13 1.17 0.00 -0.40 0.00 0.00 41.96 41.69 2cwu s TYR 552 CO 0.60 0.20 1.77 -1.00 -1.57 0.00 0.00 175.55 175.55 2cwu h PRO 553 N 4.32 0.00 -0.27 -1.71 0.13 -1.96 -2.45 132.00 130.06 2cwu h PRO 553 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2cwu h PRO 553 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 2cwu h PRO 553 CO 0.41 0.00 0.00 0.25 -0.23 0.00 0.00 178.00 178.43 2cwu n THR 554 N -2.41 0.75 0.00 1.56 -2.24 -1.26 -1.54 114.28 109.15 2cwu n THR 554 Ca 0.01 -0.88 0.00 0.00 -2.27 0.00 0.00 64.05 60.91 2cwu n THR 554 Cb 0.18 0.68 0.00 0.00 -2.10 0.00 0.00 70.33 69.09 2cwu n THR 554 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2cwu n GLY 555 N 0.56 -1.24 0.23 3.38 0.00 -0.92 -4.46 105.19 102.74 2cwu n GLY 555 Ca 0.11 -1.60 -0.08 0.00 0.00 0.00 0.00 46.02 44.44 2cwu n GLY 555 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2cwu h ASP 556 N 0.00 0.67 -3.75 1.61 3.32 -1.93 -3.42 116.42 112.93 2cwu h ASP 556 Ca 0.00 -0.30 -0.67 0.00 0.02 0.00 0.00 57.03 56.07 2cwu h ASP 556 Cb 0.00 -0.19 -0.37 0.00 0.22 0.00 0.00 39.33 38.99 2cwu h ASP 556 CO 0.00 1.00 -0.73 -0.36 -1.72 0.00 0.00 179.24 177.43 2cwu s PHE 557 N -4.26 3.49 -0.15 4.55 0.08 -1.26 -4.95 117.98 115.48 2cwu s PHE 557 Ca -0.08 -2.53 0.04 0.00 0.12 0.00 0.00 56.93 54.48 2cwu s PHE 557 Cb 0.12 -2.47 -0.23 0.00 -0.57 0.00 0.00 43.02 39.87 2cwu s PHE 557 CO 0.84 -0.91 0.23 0.28 -0.10 0.00 0.00 175.22 175.56 2cwu n VAL 558 N 4.41 1.60 -1.68 -0.44 0.31 -1.26 -4.60 118.33 116.67 2cwu n VAL 558 Ca -0.06 -0.70 -0.47 0.00 -0.01 0.00 0.00 64.34 63.10 2cwu n VAL 558 Cb 0.42 -1.26 -0.04 0.00 -0.91 0.00 0.00 33.84 32.04 2cwu n VAL 558 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 2cwu n ASN 559 N -3.19 3.54 -3.51 4.52 5.15 -1.25 -1.83 115.26 118.69 2cwu n ASN 559 Ca -0.32 0.97 -0.26 0.00 -0.60 0.00 0.00 54.58 54.38 2cwu n ASN 559 Cb 1.05 -1.40 0.00 0.00 -0.53 0.00 0.00 39.78 38.90 2cwu n ASN 559 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2cwu n GLN 560 N 6.46 -3.75 -4.81 1.20 6.02 -1.26 -0.84 117.38 120.40 2cwu n GLN 560 Ca 0.22 0.51 -0.33 0.00 -0.01 0.00 0.00 57.00 57.39 2cwu n GLN 560 Cb 0.31 -5.25 -0.13 0.00 1.02 0.00 0.00 30.24 26.18 2cwu n GLN 560 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 2cwu s HIS 561 N -3.03 2.78 1.06 1.08 2.46 -0.76 -4.46 115.29 114.41 2cwu s HIS 561 Ca 0.47 -0.31 -0.18 0.00 0.47 0.00 0.00 55.06 55.51 2cwu s HIS 561 Cb -0.24 -1.72 0.24 0.00 -0.13 0.00 0.00 32.58 30.73 2cwu s HIS 561 CO 0.57 0.06 1.29 -1.54 -2.47 0.00 0.00 174.74 172.65 2cwu s SER 562 N -0.33 2.25 1.01 9.88 1.04 -1.26 -4.80 113.70 121.49 2cwu s SER 562 Ca 0.03 0.26 -0.13 0.00 0.48 0.00 0.00 55.95 56.60 2cwu s SER 562 Cb -0.13 -0.27 0.19 0.00 0.10 0.00 0.00 66.02 65.92 2cwu s SER 562 CO 0.02 -3.27 1.10 -0.83 0.98 0.00 0.00 173.24 171.25 2cwu s GLY 563 N -4.70 1.56 0.00 7.32 0.00 -1.26 -4.58 107.32 105.66 2cwu s GLY 563 Ca 0.75 -0.44 0.00 0.00 0.00 0.00 0.00 44.72 45.04 2cwu s GLY 563 CO 0.54 0.20 0.00 0.61 0.00 0.00 0.00 173.10 174.45 2cwu n GLY 564 N -1.20 1.29 1.62 0.20 0.00 -1.26 -5.04 105.19 100.81 2cwu n GLY 564 Ca 0.06 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.94 2cwu n GLY 564 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2cwu n ALA 565 N 0.00 0.23 -0.14 4.61 0.00 -1.26 -4.68 120.51 119.27 2cwu n ALA 565 Ca 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 53.44 52.44 2cwu n ALA 565 Cb 0.00 0.52 0.00 0.00 0.00 0.00 0.00 19.45 19.97 2cwu n ALA 565 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2cwu n GLY 566 N 2.27 -1.50 0.29 0.00 0.00 -1.26 -4.35 105.19 100.64 2cwu n GLY 566 Ca -0.08 -1.30 0.03 0.00 0.00 0.00 0.00 46.02 44.68 2cwu n GLY 566 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2cwu h LEU 567 N 0.00 -0.65 -1.24 0.99 3.38 -1.50 -1.03 115.31 115.26 2cwu h LEU 567 Ca 0.00 0.23 0.11 0.00 0.09 0.00 0.00 57.88 58.31 2cwu h LEU 567 Cb 0.00 0.46 -0.06 0.00 0.09 0.00 0.00 40.66 41.15 2cwu h LEU 567 CO 0.00 -0.25 0.56 -0.65 0.09 0.00 0.00 178.44 178.19 2cwu h PRO 568 N 0.02 0.79 -0.00 1.13 0.11 -1.85 -0.72 132.00 131.48 2cwu h PRO 568 Ca 0.39 -0.05 -0.21 0.00 0.11 0.00 0.00 66.00 66.25 2cwu h PRO 568 Cb 0.63 -0.18 -0.00 0.00 0.11 0.00 0.00 31.00 31.56 2cwu h PRO 568 CO -0.79 0.52 -0.90 0.66 -0.21 0.00 0.00 178.00 177.28 2cwu h SER 569 N 0.82 0.40 0.09 -2.05 4.64 -1.41 -3.14 113.55 112.90 2cwu h SER 569 Ca 0.41 -0.32 -0.00 0.00 -0.47 0.00 0.00 61.79 61.41 2cwu h SER 569 Cb 0.48 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 62.45 2cwu h SER 569 CO -0.18 1.11 -0.05 1.88 -0.87 0.00 0.00 176.83 178.73 2cwu h TYR 570 N 0.17 -0.12 -0.12 4.77 0.05 -0.54 -3.02 116.97 118.17 2cwu h TYR 570 Ca -0.06 -0.00 0.03 0.00 0.05 0.00 0.00 58.73 58.75 2cwu h TYR 570 Cb 1.53 0.04 -0.00 0.00 1.01 0.00 0.00 36.73 39.31 2cwu h TYR 570 CO 0.04 0.11 0.11 0.82 -1.05 0.00 0.00 178.16 178.19 2cwu h ILE 571 N -0.33 0.64 -0.04 -2.88 5.03 -1.26 -2.39 117.51 116.28 2cwu h ILE 571 Ca -0.01 0.00 0.01 0.00 -0.12 0.00 0.00 64.86 64.74 2cwu h ILE 571 Cb 0.28 0.92 -0.00 0.00 -3.03 0.00 0.00 36.82 34.98 2cwu h ILE 571 CO 0.02 0.00 0.05 0.00 -0.68 0.00 0.00 178.15 177.54 2cwu h ALA 572 N 1.89 1.57 0.00 1.87 0.00 -1.47 -0.19 119.26 122.94 2cwu h ALA 572 Ca 0.06 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2cwu h ALA 572 Cb 0.28 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.07 2cwu h ALA 572 CO -0.00 -0.07 0.00 1.04 0.00 0.00 0.00 179.25 180.22 2cwu n GLN 573 N -3.81 0.06 -4.26 0.00 6.02 -0.90 -4.88 117.38 109.62 2cwu n GLN 573 Ca -0.02 0.34 -0.30 0.00 -0.01 0.00 0.00 57.00 57.01 2cwu n GLN 573 Cb 0.14 -1.63 -0.08 0.00 1.02 0.00 0.00 30.24 29.69 2cwu n GLN 573 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 2cwu n ASP 574 N -1.74 0.51 -4.84 1.08 2.03 -0.08 -4.91 116.55 108.59 2cwu n ASP 574 Ca 0.03 -1.22 -0.31 0.00 0.52 0.00 0.00 54.79 53.80 2cwu n ASP 574 Cb 0.16 -1.90 0.02 0.00 -0.72 0.00 0.00 41.12 38.68 2cwu n ASP 574 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 2cwu s ARG 575 N -7.21 3.34 0.04 -0.67 0.52 -1.26 -4.50 118.95 109.21 2cwu s ARG 575 Ca 0.05 0.90 -0.30 0.00 -0.52 0.00 0.00 55.73 55.86 2cwu s ARG 575 Cb -0.03 -2.04 -0.06 0.00 0.52 0.00 0.00 34.95 33.33 2cwu s ARG 575 CO 0.98 -0.78 1.39 0.34 0.02 0.00 0.00 175.30 177.25 2cwu s ASP 576 N -3.76 6.86 -0.04 0.23 2.15 -1.26 -2.00 116.67 118.85 2cwu s ASP 576 Ca 0.58 2.17 0.06 0.00 0.43 0.00 0.00 52.55 55.79 2cwu s ASP 576 Cb -0.13 -2.57 0.09 0.00 -0.30 0.00 0.00 42.92 40.02 2cwu s ASP 576 CO 0.50 -0.69 0.97 2.30 -0.17 0.00 0.00 175.17 178.09 2cwu n ILE 577 N 4.41 1.02 -3.13 4.11 -5.35 -0.59 -4.81 119.36 115.03 2cwu n ILE 577 Ca 0.12 -1.14 -0.45 0.00 -0.27 0.00 0.00 62.75 61.01 2cwu n ILE 577 Cb 0.43 0.34 -0.03 0.00 -1.74 0.00 0.00 39.64 38.65 2cwu n ILE 577 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 2cwu s ASP 578 N -1.45 6.63 0.00 7.28 2.15 -1.22 -4.17 116.67 125.89 2cwu s ASP 578 Ca 0.10 -2.26 0.00 0.00 0.43 0.00 0.00 52.55 50.83 2cwu s ASP 578 Cb 0.09 -2.30 0.00 0.00 -0.30 0.00 0.00 42.92 40.41 2cwu s ASP 578 CO 0.01 -0.85 0.00 0.61 -0.17 0.00 0.00 175.17 174.77 2cwu n GLY 579 N 4.79 0.51 3.29 2.66 0.00 0.01 -4.99 105.19 111.46 2cwu n GLY 579 Ca 0.15 -0.42 -0.19 0.00 0.00 0.00 0.00 46.02 45.56 2cwu n GLY 579 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2cwu s GLN 580 N -3.32 1.73 -0.58 1.61 -1.52 -0.15 -4.56 119.66 112.89 2cwu s GLN 580 Ca 0.00 -2.01 -0.28 0.00 -1.95 0.00 0.00 55.36 51.13 2cwu s GLN 580 Cb 0.00 0.30 0.02 0.00 -0.22 0.00 0.00 33.01 33.11 2cwu s GLN 580 CO 0.00 -0.63 1.34 0.34 -0.25 0.00 0.00 175.29 176.09 2cwu s ASP 581 N -3.37 6.22 0.31 5.90 -1.08 -1.14 -1.33 116.67 122.19 2cwu s ASP 581 Ca 0.40 0.19 0.09 0.00 -0.52 0.00 0.00 52.55 52.71 2cwu s ASP 581 Cb 0.03 -2.55 -0.06 0.00 -1.46 0.00 0.00 42.92 38.88 2cwu s ASP 581 CO 0.27 -1.65 -0.10 0.27 0.52 0.00 0.00 175.17 174.48 2cwu s ILE 582 N 5.71 2.07 -0.06 4.11 -5.25 -1.26 -0.25 121.20 126.28 2cwu s ILE 582 Ca 0.48 -2.20 0.02 0.00 -0.99 0.00 0.00 60.65 57.96 2cwu s ILE 582 Cb -0.10 -2.53 0.01 0.00 2.95 0.00 0.00 42.46 42.80 2cwu s ILE 582 CO 0.24 -0.26 -0.11 -0.69 -1.79 0.00 0.00 174.94 172.33 2cwu s VAL 583 N -2.73 1.01 -0.18 8.37 1.01 0.29 -2.41 120.40 125.76 2cwu s VAL 583 Ca 0.31 -0.40 -0.08 0.00 0.00 0.00 0.00 61.98 61.80 2cwu s VAL 583 Cb 0.02 -0.93 -0.04 0.00 0.00 0.00 0.00 36.38 35.42 2cwu s VAL 583 CO 0.15 0.33 0.09 -0.69 0.00 0.00 0.00 175.10 174.97 2cwu s VAL 584 N 0.70 5.05 -0.27 2.92 1.01 0.06 -1.02 120.40 128.85 2cwu s VAL 584 Ca -0.14 0.06 0.01 0.00 0.00 0.00 0.00 61.98 61.91 2cwu s VAL 584 Cb -0.15 -3.28 0.05 0.00 0.00 0.00 0.00 36.38 33.00 2cwu s VAL 584 CO 0.03 0.47 -0.07 0.26 0.00 0.00 0.00 175.10 175.79 2cwu s TRP 585 N 0.25 3.23 -0.21 5.22 0.52 0.42 0.24 118.94 128.61 2cwu s TRP 585 Ca 0.06 -2.08 -0.06 0.00 0.02 0.00 0.00 56.10 54.04 2cwu s TRP 585 Cb -0.12 -2.00 -0.03 0.00 -1.15 0.00 0.00 33.47 30.17 2cwu s TRP 585 CO -0.00 -0.84 0.02 -1.58 0.02 0.00 0.00 176.95 174.57 2cwu s HIS 586 N 1.18 3.06 -0.11 -1.98 2.46 -0.17 -1.26 115.29 118.47 2cwu s HIS 586 Ca -0.06 -0.44 -0.16 0.00 0.47 0.00 0.00 55.06 54.87 2cwu s HIS 586 Cb -0.19 -2.13 -0.05 0.00 -0.13 0.00 0.00 32.58 30.08 2cwu s HIS 586 CO -0.04 -0.26 0.40 0.99 -2.47 0.00 0.00 174.74 173.36 2cwu s THR 587 N 1.15 5.20 -0.16 0.89 2.01 -0.11 -0.90 115.64 123.72 2cwu s THR 587 Ca 0.03 0.79 -0.21 0.00 0.31 0.00 0.00 61.69 62.61 2cwu s THR 587 Cb -0.14 -3.73 0.05 0.00 0.01 0.00 0.00 72.50 68.69 2cwu s THR 587 CO 0.02 0.40 0.56 0.72 -0.69 0.00 0.00 174.62 175.63 2cwu s PHE 588 N 0.19 -0.57 0.17 4.92 -0.71 -0.66 -4.71 117.98 116.61 2cwu s PHE 588 Ca 0.22 1.29 -0.17 0.00 -1.04 0.00 0.00 56.93 57.22 2cwu s PHE 588 Cb -0.15 0.24 0.06 0.00 -1.21 0.00 0.00 43.02 41.96 2cwu s PHE 588 CO 0.09 -0.37 0.85 0.41 -1.34 0.00 0.00 175.22 174.85 2cwu n GLY 589 N 2.23 0.76 3.51 1.99 0.00 -1.26 -0.20 105.19 112.22 2cwu n GLY 589 Ca -0.16 -1.13 -0.32 0.00 0.00 0.00 0.00 46.02 44.42 2cwu n GLY 589 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2cwu s LEU 590 N 0.00 2.83 -0.27 0.99 1.43 0.14 -4.67 118.68 119.13 2cwu s LEU 590 Ca 0.19 -0.26 -0.05 0.00 -1.03 0.00 0.00 54.13 52.97 2cwu s LEU 590 Cb -0.03 -1.63 0.01 0.00 0.03 0.00 0.00 46.19 44.58 2cwu s LEU 590 CO 0.05 0.29 0.03 -0.89 0.23 0.00 0.00 176.35 176.07 2cwu s THR 591 N -0.89 3.67 -0.28 5.49 2.01 -1.26 -0.64 115.64 123.74 2cwu s THR 591 Ca 0.14 -0.71 -0.08 0.00 0.31 0.00 0.00 61.69 61.35 2cwu s THR 591 Cb -0.11 -2.85 -0.02 0.00 0.01 0.00 0.00 72.50 69.54 2cwu s THR 591 CO 0.04 0.16 0.11 -2.28 -0.69 0.00 0.00 174.62 171.97 2cwu s HIS 592 N 1.47 3.14 -0.53 4.92 2.46 0.53 -5.00 115.29 122.27 2cwu s HIS 592 Ca 0.03 -0.52 -0.02 0.00 0.47 0.00 0.00 55.06 55.02 2cwu s HIS 592 Cb -0.17 -2.30 0.14 0.00 -0.13 0.00 0.00 32.58 30.13 2cwu s HIS 592 CO 0.00 -0.42 0.33 -0.06 -2.47 0.00 0.00 174.74 172.12 2cwu s PHE 593 N 1.61 3.46 0.23 3.88 0.08 -1.26 -2.41 117.98 123.57 2cwu s PHE 593 Ca 0.05 -2.70 -0.30 0.00 0.12 0.00 0.00 56.93 54.10 2cwu s PHE 593 Cb -0.16 -3.15 -0.15 0.00 -0.57 0.00 0.00 43.02 38.99 2cwu s PHE 593 CO 0.05 -0.87 1.01 -2.30 -0.10 0.00 0.00 175.22 173.01 2cwu n PRO 594 N 3.81 1.11 -4.05 0.24 -0.02 -1.26 -5.01 135.00 129.82 2cwu n PRO 594 Ca 0.04 0.39 -0.22 0.00 -2.02 0.00 0.00 63.50 61.69 2cwu n PRO 594 Cb 0.38 -1.77 -0.05 0.00 -0.02 0.00 0.00 33.50 32.05 2cwu n PRO 594 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2cwu s ARG 595 N -1.03 2.69 0.42 -0.52 0.52 -1.26 -4.78 118.95 115.00 2cwu s ARG 595 Ca 0.65 -1.25 0.09 0.00 -0.52 0.00 0.00 55.73 54.70 2cwu s ARG 595 Cb -0.79 -2.42 0.92 0.00 0.52 0.00 0.00 34.95 33.18 2cwu s ARG 595 CO 0.56 0.26 2.05 0.28 0.02 0.00 0.00 175.30 178.47 2cwu h VAL 596 N 1.49 1.05 0.00 3.52 2.07 -1.88 -0.13 116.25 122.37 2cwu h VAL 596 Ca -0.46 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 66.89 2cwu h VAL 596 Cb 1.25 0.52 0.00 0.00 -1.52 0.00 0.00 31.29 31.53 2cwu h VAL 596 CO 0.60 0.09 0.00 -0.33 0.02 0.00 0.00 177.57 177.95 2cwu h GLU 597 N 0.49 0.00 -0.00 1.57 3.07 -1.94 -1.58 114.58 116.18 2cwu h GLU 597 Ca 0.17 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.03 2cwu h GLU 597 Cb 0.08 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.99 2cwu h GLU 597 CO -0.04 0.00 -0.09 -0.25 -1.40 0.00 0.00 179.01 177.22 2cwu n ASP 598 N -2.39 0.21 -4.60 1.42 8.00 -0.06 -4.56 116.55 114.57 2cwu n ASP 598 Ca -0.01 -0.13 -0.32 0.00 0.71 0.00 0.00 54.79 55.04 2cwu n ASP 598 Cb 0.11 -0.21 -0.10 0.00 -0.02 0.00 0.00 41.12 40.89 2cwu n ASP 598 CO 0.00 0.00 0.00 0.86 -0.39 0.00 0.00 177.20 177.67 2cwu s TRP 599 N -2.70 2.90 -0.82 1.24 -0.11 -0.60 -2.20 118.94 116.65 2cwu s TRP 599 Ca 0.23 -0.03 0.27 0.00 1.22 0.00 0.00 56.10 57.79 2cwu s TRP 599 Cb 0.20 -1.62 0.86 0.00 -1.50 0.00 0.00 33.47 31.41 2cwu s TRP 599 CO 0.51 0.38 1.74 -0.35 -4.62 0.00 0.00 176.95 174.61 2cwu n PRO 600 N 1.56 0.16 -3.81 5.86 -0.04 -1.26 -4.95 135.00 132.53 2cwu n PRO 600 Ca -0.15 0.11 -0.15 0.00 -0.04 0.00 0.00 63.50 63.27 2cwu n PRO 600 Cb 0.53 -1.67 -0.16 0.00 -0.04 0.00 0.00 33.50 32.16 2cwu n PRO 600 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 2cwu s ILE 601 N -3.07 -0.01 0.17 0.52 2.07 -1.23 -4.76 121.20 114.89 2cwu s ILE 601 Ca 0.11 0.17 -0.26 0.00 -1.41 0.00 0.00 60.65 59.27 2cwu s ILE 601 Cb 0.15 -0.11 -0.08 0.00 0.13 0.00 0.00 42.46 42.55 2cwu s ILE 601 CO 0.60 0.09 0.79 0.00 -1.91 0.00 0.00 174.94 174.51 2cwu s MET 602 N 0.97 4.58 0.48 3.50 0.23 -0.31 -4.81 119.30 123.95 2cwu s MET 602 Ca -0.08 1.18 -0.22 0.00 -1.03 0.00 0.00 55.69 55.53 2cwu s MET 602 Cb -0.12 -3.25 -0.07 0.00 -1.53 0.00 0.00 34.83 29.86 2cwu s MET 602 CO -0.02 0.56 1.13 -2.14 -2.03 0.00 0.00 175.02 172.52 2cwu s PRO 603 N -1.18 3.69 0.35 3.16 0.02 -1.26 -4.17 135.00 135.61 2cwu s PRO 603 Ca 0.36 1.67 -0.29 0.00 0.02 0.00 0.00 61.00 62.77 2cwu s PRO 603 Cb -0.23 -2.28 -0.11 0.00 0.02 0.00 0.00 34.50 31.89 2cwu s PRO 603 CO 0.27 -0.58 1.48 0.28 -0.33 0.00 0.00 177.00 178.11 2cwu n VAL 604 N -0.71 1.77 -4.33 3.83 0.31 -1.26 -4.80 118.33 113.15 2cwu n VAL 604 Ca 0.08 -0.44 -0.23 0.00 -0.01 0.00 0.00 64.34 63.74 2cwu n VAL 604 Cb 0.49 -1.89 -0.12 0.00 -0.91 0.00 0.00 33.84 31.41 2cwu n VAL 604 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2cwu s ASP 605 N -0.02 2.72 0.17 4.52 2.15 -0.84 -4.95 116.67 120.42 2cwu s ASP 605 Ca 0.56 -0.81 0.04 0.00 0.43 0.00 0.00 52.55 52.77 2cwu s ASP 605 Cb -0.50 -0.16 -0.05 0.00 -0.30 0.00 0.00 42.92 41.91 2cwu s ASP 605 CO 0.60 0.01 -0.08 0.42 -0.17 0.00 0.00 175.17 175.95 2cwu s THR 606 N -1.75 1.16 0.00 1.71 -4.23 -1.26 -1.00 115.64 110.27 2cwu s THR 606 Ca 0.14 -2.06 -0.28 0.00 -1.18 0.00 0.00 61.69 58.30 2cwu s THR 606 Cb -0.07 -1.97 0.08 0.00 1.34 0.00 0.00 72.50 71.88 2cwu s THR 606 CO 0.06 -0.65 0.70 0.54 -0.54 0.00 0.00 174.62 174.74 2cwu s VAL 607 N -3.33 0.00 -0.43 2.29 0.11 -1.00 -5.00 120.40 113.03 2cwu s VAL 607 Ca 0.20 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.25 2cwu s VAL 607 Cb 0.03 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.88 2cwu s VAL 607 CO 0.03 0.00 0.00 0.61 -3.33 0.00 0.00 175.10 172.41 2cwu n GLY 608 N 0.44 -0.80 3.77 6.54 0.00 -1.26 -0.43 105.19 113.44 2cwu n GLY 608 Ca -0.17 -0.28 -0.03 0.00 0.00 0.00 0.00 46.02 45.54 2cwu n GLY 608 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2cwu s PHE 609 N -4.00 -0.08 0.13 1.61 -0.12 -0.97 -4.12 117.98 110.42 2cwu s PHE 609 Ca 0.00 -0.22 -0.15 0.00 -0.05 0.00 0.00 56.93 56.50 2cwu s PHE 609 Cb 0.00 0.64 0.03 0.00 -0.63 0.00 0.00 43.02 43.06 2cwu s PHE 609 CO 0.00 -0.81 0.40 -1.59 -0.05 0.00 0.00 175.22 173.17 2cwu s LYS 610 N -3.02 1.10 -0.08 1.99 -2.85 -1.01 -1.49 119.74 114.39 2cwu s LYS 610 Ca 0.14 -0.77 0.02 0.00 -1.00 0.00 0.00 55.97 54.35 2cwu s LYS 610 Cb -0.01 0.46 0.02 0.00 -2.06 0.00 0.00 37.83 36.24 2cwu s LYS 610 CO 0.02 -0.43 -0.11 -0.51 0.10 0.00 0.00 175.35 174.42 2cwu s LEU 611 N -2.83 1.53 0.04 2.77 1.02 0.47 -0.16 118.68 121.54 2cwu s LEU 611 Ca 0.05 -0.29 0.07 0.00 0.02 0.00 0.00 54.13 53.97 2cwu s LEU 611 Cb 0.02 -0.81 -0.03 0.00 0.02 0.00 0.00 46.19 45.38 2cwu s LEU 611 CO -0.10 -0.01 -0.17 -0.13 0.02 0.00 0.00 176.35 175.96 2cwu s ARG 612 N 0.91 2.09 0.40 1.70 0.52 -0.25 -1.33 118.95 122.99 2cwu s ARG 612 Ca -0.10 -0.98 -0.27 0.00 -0.52 0.00 0.00 55.73 53.87 2cwu s ARG 612 Cb -0.15 -2.21 -0.10 0.00 0.52 0.00 0.00 34.95 33.01 2cwu s ARG 612 CO 0.01 0.54 1.41 -0.35 0.02 0.00 0.00 175.30 176.93 2cwu n PRO 613 N 1.49 2.37 -3.59 3.54 -0.04 -1.26 0.03 135.00 137.54 2cwu n PRO 613 Ca -0.16 0.84 -0.28 0.00 -0.04 0.00 0.00 63.50 63.85 2cwu n PRO 613 Cb 0.52 -2.57 -0.12 0.00 -0.04 0.00 0.00 33.50 31.30 2cwu n PRO 613 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 2cwu s GLU 614 N -2.19 1.15 -0.47 0.54 2.56 0.11 -4.73 118.70 115.67 2cwu s GLU 614 Ca 0.57 -2.05 0.00 0.00 0.00 0.00 0.00 54.97 53.49 2cwu s GLU 614 Cb -0.49 -1.97 0.00 0.00 2.00 0.00 0.00 34.13 33.68 2cwu s GLU 614 CO 0.61 -1.25 0.00 0.41 -0.56 0.00 0.00 175.26 174.47 2cwu n GLY 615 N 3.26 0.72 0.18 -1.50 0.00 -1.26 -2.53 105.19 104.06 2cwu n GLY 615 Ca 0.17 -0.63 -0.16 0.00 0.00 0.00 0.00 46.02 45.40 2cwu n GLY 615 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2cwu h PHE 616 N 0.00 0.80 -2.09 1.61 3.57 -1.86 -3.37 116.94 115.60 2cwu h PHE 616 Ca -0.09 -0.34 -0.45 0.00 3.53 0.00 0.00 57.97 60.62 2cwu h PHE 616 Cb 0.35 -0.13 0.00 0.00 2.79 0.00 0.00 35.95 38.96 2cwu h PHE 616 CO 0.16 1.13 -0.33 -0.06 -2.23 0.00 0.00 178.31 176.98 2cwu s PHE 617 N -3.76 3.25 -1.87 0.41 0.40 -1.26 -4.86 117.98 110.29 2cwu s PHE 617 Ca -0.12 -0.07 0.29 0.00 -0.60 0.00 0.00 56.93 56.43 2cwu s PHE 617 Cb 0.06 -1.90 1.31 0.00 0.51 0.00 0.00 43.02 43.00 2cwu s PHE 617 CO 0.84 0.09 1.90 -0.25 0.70 0.00 0.00 175.22 178.50 2cwu n ASP 618 N -1.63 0.59 0.00 1.36 8.00 -1.26 -4.91 116.55 118.69 2cwu n ASP 618 Ca -0.03 -0.83 0.00 0.00 0.71 0.00 0.00 54.79 54.64 2cwu n ASP 618 Cb 0.58 -0.04 0.00 0.00 -0.02 0.00 0.00 41.12 41.64 2cwu n ASP 618 CO 0.00 0.00 0.00 -2.11 -0.39 0.00 0.00 177.20 174.70 2cwu n ARG 619 N -0.75 -2.98 -1.65 -1.24 1.85 -1.26 -4.95 116.66 105.68 2cwu n ARG 619 Ca 0.17 0.00 -0.45 0.00 -1.00 0.00 0.00 57.85 56.57 2cwu n ARG 619 Cb 0.26 0.00 -0.03 0.00 -1.05 0.00 0.00 32.46 31.64 2cwu n ARG 619 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 2cwu n SER 620 N 0.00 2.49 -0.47 2.89 2.88 -1.26 -4.86 113.62 115.29 2cwu n SER 620 Ca 0.00 1.14 0.11 0.00 -1.33 0.00 0.00 58.87 58.79 2cwu n SER 620 Cb 0.00 -1.39 0.43 0.00 -0.75 0.00 0.00 64.21 62.50 2cwu n SER 620 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 2cwu n PRO 621 N 1.92 1.62 -0.66 -1.46 -0.04 -1.26 -4.09 135.00 131.03 2cwu n PRO 621 Ca 0.12 -0.93 0.02 0.00 -0.04 0.00 0.00 63.50 62.67 2cwu n PRO 621 Cb 0.30 -1.40 0.20 0.00 -0.04 0.00 0.00 33.50 32.57 2cwu n PRO 621 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 2cwu n VAL 622 N 0.15 2.34 0.38 0.52 0.24 -1.26 -4.62 118.33 116.07 2cwu n VAL 622 Ca 0.16 -2.97 0.14 0.00 -2.04 0.00 0.00 64.34 59.63 2cwu n VAL 622 Cb 0.30 -0.27 0.43 0.00 -1.47 0.00 0.00 33.84 32.83 2cwu n VAL 622 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 2cwu h LEU 623 N 0.97 0.00 -2.13 1.34 3.38 -1.98 -3.11 115.31 113.79 2cwu h LEU 623 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 2cwu h LEU 623 Cb 1.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.03 2cwu h LEU 623 CO 0.17 0.00 0.00 -0.90 0.09 0.00 0.00 178.44 177.80 2cwu n ASP 624 N -2.69 3.16 -4.71 -0.43 5.75 -1.26 -4.89 116.55 111.47 2cwu n ASP 624 Ca 0.03 -2.15 -0.41 0.00 -0.01 0.00 0.00 54.79 52.25 2cwu n ASP 624 Cb 0.38 -0.42 -0.04 0.00 -1.03 0.00 0.00 41.12 40.02 2cwu n ASP 624 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 2cwu s VAL 625 N -1.52 4.88 0.72 2.12 1.01 -1.18 -5.04 120.40 121.40 2cwu s VAL 625 Ca 0.36 1.89 -0.11 0.00 0.00 0.00 0.00 61.98 64.12 2cwu s VAL 625 Cb 0.21 -4.24 0.02 0.00 0.00 0.00 0.00 36.38 32.37 2cwu s VAL 625 CO 0.21 0.20 1.07 -2.16 0.00 0.00 0.00 175.10 174.42 2cwu s PRO 626 N 0.83 2.74 0.32 2.72 0.04 -1.26 -4.97 135.00 135.41 2cwu s PRO 626 Ca 0.47 0.79 0.13 0.00 0.04 0.00 0.00 61.00 62.43 2cwu s PRO 626 Cb -0.20 -1.98 0.51 0.00 0.04 0.00 0.00 34.50 32.87 2cwu s PRO 626 CO 0.25 -1.20 1.69 0.00 0.04 0.00 0.00 177.00 177.79 2cwu h ALA 627 N -0.79 1.09 0.00 8.56 0.00 -1.96 -3.45 119.26 122.71 2cwu h ALA 627 Ca -0.45 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 53.99 2cwu h ALA 627 Cb 1.23 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.94 2cwu h ALA 627 CO 0.59 0.64 0.00 -1.71 0.00 0.00 0.00 179.25 178.77