#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bvj s PRO 12 N 0.00 1.57 0.50 1.43 0.02 -1.26 -4.96 135.00 132.29 2bvj s PRO 12 Ca 0.00 1.27 -0.23 0.00 0.02 0.00 0.00 61.00 62.06 2bvj s PRO 12 Cb 0.00 -1.81 -0.06 0.00 0.02 0.00 0.00 34.50 32.65 2bvj s PRO 12 CO 0.00 -2.16 1.31 -2.14 -0.33 0.00 0.00 177.00 173.68 2bvj s PRO 13 N -4.79 3.44 0.08 5.54 0.02 -1.26 -4.90 135.00 133.13 2bvj s PRO 13 Ca 0.64 2.14 0.25 0.00 0.02 0.00 0.00 61.00 64.04 2bvj s PRO 13 Cb -0.20 -2.39 0.46 0.00 0.02 0.00 0.00 34.50 32.39 2bvj s PRO 13 CO 0.57 -0.92 1.40 1.33 -0.33 0.00 0.00 177.00 179.05 2bvj n VAL 14 N -0.68 0.25 -3.81 3.83 0.24 -0.66 -4.84 118.33 112.66 2bvj n VAL 14 Ca 0.08 -0.19 -0.13 0.00 -2.04 0.00 0.00 64.34 62.07 2bvj n VAL 14 Cb 0.45 -0.07 -0.12 0.00 -1.47 0.00 0.00 33.84 32.63 2bvj n VAL 14 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 2bvj s LEU 15 N -3.84 1.26 -0.34 1.34 2.96 -1.25 -5.08 118.68 113.73 2bvj s LEU 15 Ca 0.08 0.37 -0.00 0.00 -0.22 0.00 0.00 54.13 54.36 2bvj s LEU 15 Cb 0.15 0.62 0.08 0.00 0.50 0.00 0.00 46.19 47.54 2bvj s LEU 15 CO 0.70 -0.07 0.06 -0.62 -1.32 0.00 0.00 176.35 175.10 2bvj s ASP 16 N 0.16 4.93 0.52 3.68 -1.08 -1.26 -1.09 116.67 122.52 2bvj s ASP 16 Ca -0.00 -1.74 0.16 0.00 -0.52 0.00 0.00 52.55 50.45 2bvj s ASP 16 Cb -0.02 -1.71 1.27 0.00 -1.46 0.00 0.00 42.92 41.00 2bvj s ASP 16 CO -0.00 -0.37 2.15 -0.07 0.52 0.00 0.00 175.17 177.40 2bvj h LEU 17 N 7.90 0.00 -1.62 -1.34 3.38 -1.02 -1.27 115.31 121.34 2bvj h LEU 17 Ca -0.14 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.79 2bvj h LEU 17 Cb 1.04 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.79 2bvj h LEU 17 CO 0.57 0.01 -0.19 1.23 0.09 0.00 0.00 178.44 180.15 2bvj h GLY 18 N 0.02 0.00 2.00 0.83 0.00 -1.77 -2.02 103.07 102.13 2bvj h GLY 18 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2bvj h GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.54 2bvj n ALA 19 N -2.32 2.09 -1.97 3.60 0.00 -0.48 -4.81 120.51 116.63 2bvj n ALA 19 Ca -0.01 -0.04 -0.25 0.00 0.00 0.00 0.00 53.44 53.13 2bvj n ALA 19 Cb 0.31 -1.41 0.12 0.00 0.00 0.00 0.00 19.45 18.47 2bvj n ALA 19 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2bvj s LEU 20 N -3.61 2.90 0.00 0.00 1.43 -0.76 -5.10 118.68 113.54 2bvj s LEU 20 Ca 0.10 -0.10 0.00 0.00 -1.03 0.00 0.00 54.13 53.10 2bvj s LEU 20 Cb 0.14 -2.20 0.00 0.00 0.03 0.00 0.00 46.19 44.16 2bvj s LEU 20 CO 0.47 -2.06 0.00 0.61 0.23 0.00 0.00 176.35 175.61 2bvj n GLY 21 N -3.08 4.70 0.36 -3.19 0.00 -1.26 -5.02 105.19 97.70 2bvj n GLY 21 Ca 0.14 -0.52 0.04 0.00 0.00 0.00 0.00 46.02 45.68 2bvj n GLY 21 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2bvj h GLN 22 N 0.00 0.94 -0.62 1.61 5.75 -1.98 -1.34 115.11 119.47 2bvj h GLN 22 Ca 0.00 -0.06 -0.01 0.00 -0.15 0.00 0.00 58.65 58.43 2bvj h GLN 22 Cb 0.00 -0.21 -0.03 0.00 1.07 0.00 0.00 27.48 28.31 2bvj h GLN 22 CO 0.00 0.62 0.35 -0.44 -2.65 0.00 0.00 178.83 176.71 2bvj h ASP 23 N 0.97 0.78 0.10 -0.69 3.32 -1.96 0.86 116.42 119.80 2bvj h ASP 23 Ca 0.35 -0.09 -0.13 0.00 0.02 0.00 0.00 57.03 57.19 2bvj h ASP 23 Cb 0.16 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.50 2bvj h ASP 23 CO -0.12 0.64 -0.44 0.15 -1.72 0.00 0.00 179.24 177.75 2bvj h PHE 24 N 0.85 0.50 -0.67 4.55 3.57 -1.68 0.32 116.94 124.39 2bvj h PHE 24 Ca 0.22 -0.15 -0.07 0.00 3.53 0.00 0.00 57.97 61.50 2bvj h PHE 24 Cb 0.03 -0.11 -0.03 0.00 2.79 0.00 0.00 35.95 38.64 2bvj h PHE 24 CO -0.01 0.79 0.13 0.00 -2.23 0.00 0.00 178.31 176.99 2bvj h ALA 25 N 1.18 0.88 0.13 2.41 0.00 -0.67 -2.26 119.26 120.93 2bvj h ALA 25 Ca 0.02 -0.26 -0.30 0.00 0.00 0.00 0.00 54.91 54.37 2bvj h ALA 25 Cb 0.92 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.45 2bvj h ALA 25 CO 0.08 0.63 -1.48 0.00 0.00 0.00 0.00 179.25 178.48 2bvj h ALA 26 N 1.06 0.21 -2.10 0.00 0.00 -0.66 -3.43 119.26 114.34 2bvj h ALA 26 Ca 0.21 -1.05 -0.49 0.00 0.00 0.00 0.00 54.91 53.57 2bvj h ALA 26 Cb 0.41 0.22 -0.34 0.00 0.00 0.00 0.00 17.79 18.09 2bvj h ALA 26 CO 0.01 1.08 -0.86 0.34 0.00 0.00 0.00 179.25 179.82 2bvj s ASP 27 N -7.05 0.96 0.00 0.00 2.15 0.11 -4.97 116.67 107.87 2bvj s ASP 27 Ca -0.08 -2.66 0.28 0.00 0.43 0.00 0.00 52.55 50.52 2bvj s ASP 27 Cb 0.07 0.07 1.05 0.00 -0.30 0.00 0.00 42.92 43.81 2bvj s ASP 27 CO 0.86 -0.16 1.77 -0.81 -0.17 0.00 0.00 175.17 176.66 2bvj n PRO 28 N 3.04 0.23 0.06 4.34 -0.04 -0.85 -4.40 135.00 137.37 2bvj n PRO 28 Ca 0.25 -0.07 -0.11 0.00 -0.04 0.00 0.00 63.50 63.53 2bvj n PRO 28 Cb 0.49 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.40 2bvj n PRO 28 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 2bvj h TYR 29 N 0.18 -0.46 -0.96 0.54 -1.99 -1.93 -2.06 116.97 110.28 2bvj h TYR 29 Ca 0.00 0.02 0.19 0.00 2.00 0.00 0.00 58.73 60.93 2bvj h TYR 29 Cb 0.45 0.21 -0.09 0.00 2.00 0.00 0.00 36.73 39.30 2bvj h TYR 29 CO 0.00 -0.26 0.61 -1.35 -0.00 0.00 0.00 178.16 177.16 2bvj h PRO 30 N -0.29 0.63 0.42 4.88 0.11 -2.00 0.83 132.00 136.59 2bvj h PRO 30 Ca 0.06 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 66.11 2bvj h PRO 30 Cb 0.36 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 31.33 2bvj h PRO 30 CO -0.17 0.42 -0.20 1.15 -0.21 0.00 0.00 178.00 178.99 2bvj h THR 31 N 0.65 0.58 -0.95 -1.15 2.02 -1.68 -1.32 112.91 111.06 2bvj h THR 31 Ca 0.52 -0.26 0.03 0.00 0.77 0.00 0.00 66.41 67.47 2bvj h THR 31 Cb 0.95 0.70 -0.05 0.00 -1.74 0.00 0.00 68.15 68.01 2bvj h THR 31 CO -0.28 0.05 0.63 1.88 0.37 0.00 0.00 175.52 178.16 2bvj h TYR 32 N -0.71 1.17 -0.69 3.16 0.99 -0.75 -2.29 116.97 117.85 2bvj h TYR 32 Ca -0.06 0.03 -0.07 0.00 2.00 0.00 0.00 58.73 60.63 2bvj h TYR 32 Cb 0.51 -0.39 -0.03 0.00 1.00 0.00 0.00 36.73 37.82 2bvj h TYR 32 CO -0.01 0.70 0.16 0.00 -0.00 0.00 0.00 178.16 179.00 2bvj h ALA 33 N 1.43 0.92 -0.70 3.88 0.00 -0.78 -0.25 119.26 123.75 2bvj h ALA 33 Ca 0.37 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 2bvj h ALA 33 Cb -0.04 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.45 2bvj h ALA 33 CO -0.10 0.65 0.36 -0.09 0.00 0.00 0.00 179.25 180.06 2bvj h ARG 34 N 1.05 0.98 -0.23 0.00 2.43 -0.70 -1.65 114.38 116.26 2bvj h ARG 34 Ca 0.22 -0.12 -0.16 0.00 -0.81 0.00 0.00 59.98 59.10 2bvj h ARG 34 Cb 0.39 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 29.75 2bvj h ARG 34 CO 0.00 0.74 -0.49 -0.07 -1.51 0.00 0.00 179.97 178.64 2bvj h LEU 35 N 0.98 0.83 -1.36 3.80 3.38 -0.99 -3.20 115.31 118.75 2bvj h LEU 35 Ca 0.24 -0.55 0.02 0.00 0.09 0.00 0.00 57.88 57.68 2bvj h LEU 35 Cb 0.06 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.54 2bvj h LEU 35 CO -0.04 1.23 0.45 -0.09 0.09 0.00 0.00 178.44 180.08 2bvj h ARG 36 N 0.46 0.84 -0.00 1.13 2.43 -0.57 -0.60 114.38 118.06 2bvj h ARG 36 Ca 0.00 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.10 2bvj h ARG 36 Cb 1.10 -0.19 -0.00 0.00 -0.42 0.00 0.00 29.97 30.46 2bvj h ARG 36 CO 0.11 0.55 -0.08 0.00 -1.51 0.00 0.00 179.97 179.04 2bvj h ALA 37 N 1.59 1.86 0.05 2.80 0.00 -1.31 -2.77 119.26 121.48 2bvj h ALA 37 Ca 0.26 -0.08 -0.29 0.00 0.00 0.00 0.00 54.91 54.81 2bvj h ALA 37 Cb -0.02 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 2bvj h ALA 37 CO -0.07 0.11 -1.52 0.93 0.00 0.00 0.00 179.25 178.70 2bvj h GLU 38 N 0.01 0.11 0.00 0.00 4.39 -1.20 -3.50 114.58 114.38 2bvj h GLU 38 Ca 0.00 -0.18 0.00 0.00 0.34 0.00 0.00 59.36 59.52 2bvj h GLU 38 Cb 0.15 0.07 0.00 0.00 -0.10 0.00 0.00 28.75 28.87 2bvj h GLU 38 CO 0.01 0.87 0.00 0.41 -1.16 0.00 0.00 179.01 179.14 2bvj n GLY 39 N 1.59 -0.69 0.07 -3.84 0.00 -0.65 -5.04 105.19 96.63 2bvj n GLY 39 Ca -0.14 -1.05 0.12 0.00 0.00 0.00 0.00 46.02 44.94 2bvj n GLY 39 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2bvj h PRO 40 N 0.00 0.00 -4.63 1.61 0.13 -1.82 -3.33 132.00 123.96 2bvj h PRO 40 Ca 0.00 0.00 -0.46 0.00 -0.87 0.00 0.00 66.00 64.67 2bvj h PRO 40 Cb 0.00 0.00 -0.32 0.00 0.13 0.00 0.00 31.00 30.81 2bvj h PRO 40 CO 0.00 0.00 -0.80 0.00 -0.23 0.00 0.00 178.00 176.97 2bvj s ALA 41 N -3.23 1.01 0.00 -0.56 0.00 -1.26 -0.46 121.76 117.25 2bvj s ALA 41 Ca 0.04 -0.37 0.00 0.00 0.00 0.00 0.00 51.96 51.63 2bvj s ALA 41 Cb 0.12 -0.40 -0.00 0.00 0.00 0.00 0.00 23.12 22.84 2bvj s ALA 41 CO 0.76 0.14 -0.00 -1.01 0.00 0.00 0.00 175.76 175.64 2bvj s HIS 42 N 0.32 0.03 -0.24 0.00 3.76 -0.15 -4.95 115.29 114.06 2bvj s HIS 42 Ca -0.06 -0.05 -0.21 0.00 -0.15 0.00 0.00 55.06 54.58 2bvj s HIS 42 Cb -0.11 -0.02 -0.02 0.00 1.11 0.00 0.00 32.58 33.55 2bvj s HIS 42 CO 0.01 -0.02 0.68 0.50 -0.85 0.00 0.00 174.74 175.06 2bvj s ARG 43 N -0.14 4.15 0.20 1.40 6.06 -1.26 -0.11 118.95 129.24 2bvj s ARG 43 Ca -0.02 0.65 0.01 0.00 -2.50 0.00 0.00 55.73 53.88 2bvj s ARG 43 Cb -0.01 -3.63 -0.05 0.00 0.06 0.00 0.00 34.95 31.32 2bvj s ARG 43 CO -0.00 -0.40 0.04 0.14 -2.50 0.00 0.00 175.30 172.58 2bvj s VAL 44 N 2.46 0.57 -0.13 7.11 -7.23 0.27 -1.66 120.40 121.79 2bvj s VAL 44 Ca 0.29 -1.98 -0.01 0.00 -1.81 0.00 0.00 61.98 58.46 2bvj s VAL 44 Cb -0.16 -2.29 -0.02 0.00 0.56 0.00 0.00 36.38 34.47 2bvj s VAL 44 CO 0.09 -0.31 -0.09 -0.60 -0.31 0.00 0.00 175.10 173.88 2bvj s ARG 45 N -3.97 3.43 0.75 4.82 3.52 -0.25 -0.47 118.95 126.78 2bvj s ARG 45 Ca 0.29 -0.60 -0.11 0.00 -0.13 0.00 0.00 55.73 55.17 2bvj s ARG 45 Cb 0.07 -2.74 0.04 0.00 -1.56 0.00 0.00 34.95 30.76 2bvj s ARG 45 CO 0.07 0.28 1.08 0.95 -0.81 0.00 0.00 175.30 176.87 2bvj s THR 46 N 0.23 3.47 0.57 4.11 -4.23 0.45 -0.40 115.64 119.83 2bvj s THR 46 Ca -0.06 0.48 0.27 0.00 -1.18 0.00 0.00 61.69 61.20 2bvj s THR 46 Cb -0.15 -3.23 0.37 0.00 1.34 0.00 0.00 72.50 70.83 2bvj s THR 46 CO 0.04 -0.62 2.02 -0.65 -0.54 0.00 0.00 174.62 174.87 2bvj h PRO 47 N -0.92 0.00 -0.01 3.99 0.11 -1.90 0.15 132.00 133.41 2bvj h PRO 47 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2bvj h PRO 47 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 2bvj h PRO 47 CO 0.59 0.00 -0.02 0.39 -0.21 0.00 0.00 178.00 178.75 2bvj n GLU 48 N -3.99 1.41 -0.01 1.05 4.71 -1.26 -4.81 120.64 117.74 2bvj n GLU 48 Ca 0.06 -0.66 0.00 0.00 -0.01 0.00 0.00 57.16 56.55 2bvj n GLU 48 Cb 0.49 -1.49 0.00 0.00 -1.01 0.00 0.00 31.44 29.43 2bvj n GLU 48 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2bvj n GLY 49 N 1.14 0.30 3.79 0.62 0.00 0.52 -5.08 105.19 106.47 2bvj n GLY 49 Ca 0.20 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.87 2bvj n GLY 49 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2bvj s ASP 50 N -2.57 6.71 -0.34 1.61 1.01 -1.26 -4.74 116.67 117.10 2bvj s ASP 50 Ca 0.00 1.93 -0.12 0.00 0.71 0.00 0.00 52.55 55.07 2bvj s ASP 50 Cb 0.00 -2.57 -0.01 0.00 1.01 0.00 0.00 42.92 41.35 2bvj s ASP 50 CO 0.00 -0.52 0.21 -1.61 0.21 0.00 0.00 175.17 173.46 2bvj s GLU 51 N -2.79 3.34 0.45 8.23 2.02 -1.26 -0.41 118.70 128.27 2bvj s GLU 51 Ca 0.61 -0.74 0.03 0.00 0.02 0.00 0.00 54.97 54.89 2bvj s GLU 51 Cb -0.18 -3.73 -0.02 0.00 0.10 0.00 0.00 34.13 30.30 2bvj s GLU 51 CO 0.22 -0.48 0.10 0.14 0.02 0.00 0.00 175.26 175.26 2bvj s VAL 52 N 1.67 0.71 -0.07 2.63 -7.23 0.38 -4.71 120.40 113.77 2bvj s VAL 52 Ca 0.05 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.24 2bvj s VAL 52 Cb -0.18 -2.26 -0.03 0.00 0.56 0.00 0.00 36.38 34.48 2bvj s VAL 52 CO 0.09 0.00 -0.12 0.26 -0.31 0.00 0.00 175.10 175.02 2bvj s TRP 53 N -3.10 2.80 -0.17 2.82 0.52 -0.04 -0.56 118.94 121.20 2bvj s TRP 53 Ca 0.17 -0.18 -0.04 0.00 0.02 0.00 0.00 56.10 56.07 2bvj s TRP 53 Cb 0.02 -1.70 -0.03 0.00 -1.15 0.00 0.00 33.47 30.61 2bvj s TRP 53 CO 0.11 0.16 -0.02 -0.51 0.02 0.00 0.00 176.95 176.71 2bvj s LEU 54 N -0.55 3.29 -0.24 2.99 1.43 0.84 0.54 118.68 126.99 2bvj s LEU 54 Ca 0.08 -0.14 -0.07 0.00 -1.03 0.00 0.00 54.13 52.97 2bvj s LEU 54 Cb -0.12 -1.81 -0.03 0.00 0.03 0.00 0.00 46.19 44.27 2bvj s LEU 54 CO 0.02 0.14 0.05 -0.69 0.23 0.00 0.00 176.35 176.09 2bvj s VAL 55 N 0.57 4.21 0.37 -1.59 1.01 -0.02 -0.97 120.40 123.97 2bvj s VAL 55 Ca -0.02 -0.21 0.08 0.00 0.00 0.00 0.00 61.98 61.84 2bvj s VAL 55 Cb -0.14 -2.95 -0.06 0.00 0.00 0.00 0.00 36.38 33.22 2bvj s VAL 55 CO 0.02 0.37 -0.01 0.68 0.00 0.00 0.00 175.10 176.16 2bvj s VAL 56 N 1.44 2.28 0.00 2.92 -7.23 0.39 -1.51 120.40 118.69 2bvj s VAL 56 Ca 0.05 -2.04 0.00 0.00 -1.81 0.00 0.00 61.98 58.18 2bvj s VAL 56 Cb -0.15 -2.81 0.00 0.00 0.56 0.00 0.00 36.38 33.98 2bvj s VAL 56 CO 0.03 -0.13 0.00 0.61 -0.31 0.00 0.00 175.10 175.30 2bvj n GLY 57 N -0.93 -0.71 0.38 2.32 0.00 -1.26 -4.43 105.19 100.57 2bvj n GLY 57 Ca -0.04 -1.14 -0.09 0.00 0.00 0.00 0.00 46.02 44.74 2bvj n GLY 57 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2bvj h TYR 58 N 0.00 -1.18 -0.42 1.61 3.20 -1.80 -0.43 116.97 117.95 2bvj h TYR 58 Ca 0.00 0.07 0.03 0.00 3.14 0.00 0.00 58.73 61.97 2bvj h TYR 58 Cb 0.00 0.58 -0.03 0.00 1.54 0.00 0.00 36.73 38.81 2bvj h TYR 58 CO 0.00 -0.43 0.22 -0.44 -1.64 0.00 0.00 178.16 175.87 2bvj h ASP 59 N -0.31 0.34 -0.55 -2.11 3.32 -1.92 -0.76 116.42 114.42 2bvj h ASP 59 Ca 0.15 0.02 -0.09 0.00 0.02 0.00 0.00 57.03 57.12 2bvj h ASP 59 Cb 0.58 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 40.06 2bvj h ASP 59 CO -0.58 0.24 -0.02 0.03 -1.72 0.00 0.00 179.24 177.20 2bvj h ARG 60 N 0.45 0.99 -0.10 3.56 2.47 -1.75 -1.67 114.38 118.32 2bvj h ARG 60 Ca 0.18 -0.33 0.03 0.00 -1.26 0.00 0.00 59.98 58.60 2bvj h ARG 60 Cb 0.06 -0.08 -0.03 0.00 -1.65 0.00 0.00 29.97 28.27 2bvj h ARG 60 CO -0.11 1.00 -0.09 0.00 0.56 0.00 0.00 179.97 181.34 2bvj h ALA 61 N 0.95 -0.00 -0.30 0.04 0.00 -0.71 -0.53 119.26 118.71 2bvj h ALA 61 Ca 0.15 0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.12 2bvj h ALA 61 Cb 0.57 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 2bvj h ALA 61 CO 0.03 -0.54 0.18 -0.09 0.00 0.00 0.00 179.25 178.83 2bvj h ARG 62 N -0.10 0.37 0.22 0.00 2.43 -1.04 -2.38 114.38 113.88 2bvj h ARG 62 Ca 0.07 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.21 2bvj h ARG 62 Cb 0.20 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.67 2bvj h ARG 62 CO -0.16 0.24 -0.10 0.00 -1.51 0.00 0.00 179.97 178.43 2bvj h ALA 63 N 1.13 -0.29 -0.92 2.80 0.00 -0.97 -2.99 119.26 118.01 2bvj h ALA 63 Ca 0.12 -0.07 0.08 0.00 0.00 0.00 0.00 54.91 55.04 2bvj h ALA 63 Cb -0.01 0.11 -0.06 0.00 0.00 0.00 0.00 17.79 17.82 2bvj h ALA 63 CO -0.05 -0.65 0.60 0.28 0.00 0.00 0.00 179.25 179.43 2bvj h VAL 64 N -0.31 1.02 -0.52 0.00 2.07 -1.02 -1.03 116.25 116.47 2bvj h VAL 64 Ca -0.03 -0.34 0.01 0.00 0.82 0.00 0.00 66.70 67.16 2bvj h VAL 64 Cb 0.24 -0.06 -0.03 0.00 -1.52 0.00 0.00 31.29 29.92 2bvj h VAL 64 CO 0.05 0.18 0.35 -0.07 0.02 0.00 0.00 177.57 178.10 2bvj h LEU 65 N 1.00 0.57 -2.34 2.57 3.38 -1.29 -2.63 115.31 116.57 2bvj h LEU 65 Ca 0.41 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.37 2bvj h LEU 65 Cb 0.29 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.90 2bvj h LEU 65 CO -0.17 0.41 0.00 0.00 0.09 0.00 0.00 178.44 178.77 2bvj n ALA 66 N -2.46 2.37 -2.60 1.53 0.00 -0.84 -4.67 120.51 113.83 2bvj n ALA 66 Ca 0.05 -0.98 -0.43 0.00 0.00 0.00 0.00 53.44 52.08 2bvj n ALA 66 Cb 0.08 -0.67 -0.04 0.00 0.00 0.00 0.00 19.45 18.82 2bvj n ALA 66 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2bvj s ASP 67 N -1.22 6.66 0.00 0.00 -1.08 -0.45 -4.92 116.67 115.66 2bvj s ASP 67 Ca 0.31 0.54 0.03 0.00 -0.52 0.00 0.00 52.55 52.92 2bvj s ASP 67 Cb 0.18 -2.46 0.16 0.00 -1.46 0.00 0.00 42.92 39.33 2bvj s ASP 67 CO 0.24 -0.87 1.05 -0.81 0.52 0.00 0.00 175.17 175.31 2bvj n PRO 68 N 6.80 0.02 0.25 4.34 -0.04 -1.26 -1.15 135.00 143.95 2bvj n PRO 68 Ca 0.07 0.38 0.15 0.00 -0.04 0.00 0.00 63.50 64.06 2bvj n PRO 68 Cb 0.48 -1.50 0.53 0.00 -0.04 0.00 0.00 33.50 32.97 2bvj n PRO 68 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2bvj h ARG 69 N 0.00 0.00 -4.21 0.54 3.08 -1.93 -3.39 114.38 108.46 2bvj h ARG 69 Ca 0.00 0.00 -0.75 0.00 0.07 0.00 0.00 59.98 59.30 2bvj h ARG 69 Cb 0.05 0.00 -0.25 0.00 0.08 0.00 0.00 29.97 29.85 2bvj h ARG 69 CO 0.00 0.00 -0.30 -0.06 -1.07 0.00 0.00 179.97 178.54 2bvj s PHE 70 N -3.51 3.28 0.55 3.04 0.40 -0.30 -0.95 117.98 120.51 2bvj s PHE 70 Ca 0.03 -1.31 -0.13 0.00 -0.60 0.00 0.00 56.93 54.93 2bvj s PHE 70 Cb 0.08 -3.51 -0.06 0.00 0.51 0.00 0.00 43.02 40.04 2bvj s PHE 70 CO 0.57 -0.94 0.97 0.45 0.70 0.00 0.00 175.22 176.97 2bvj s SER 71 N 3.06 6.41 0.00 1.36 0.15 0.01 -4.71 113.70 119.97 2bvj s SER 71 Ca 0.04 1.42 0.14 0.00 0.70 0.00 0.00 55.95 58.24 2bvj s SER 71 Cb -0.27 -2.46 -0.09 0.00 -1.71 0.00 0.00 66.02 61.50 2bvj s SER 71 CO 0.03 -0.70 0.65 0.29 1.20 0.00 0.00 173.24 174.71 2bvj n LYS 72 N -2.15 2.29 -2.61 5.44 4.76 -1.26 0.22 118.16 124.85 2bvj n LYS 72 Ca 0.06 -0.31 -0.43 0.00 -2.87 0.00 0.00 58.31 54.76 2bvj n LYS 72 Cb 0.54 -1.16 -0.02 0.00 -1.84 0.00 0.00 35.03 32.55 2bvj n LYS 72 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 2bvj s ASP 73 N -2.02 7.10 0.61 4.39 -1.08 -1.25 -4.39 116.67 120.03 2bvj s ASP 73 Ca 0.08 1.50 0.31 0.00 -0.52 0.00 0.00 52.55 53.92 2bvj s ASP 73 Cb 0.11 -2.54 1.79 0.00 -1.46 0.00 0.00 42.92 40.81 2bvj s ASP 73 CO 0.46 -0.63 2.15 -0.50 0.52 0.00 0.00 175.17 177.17 2bvj h TRP 74 N 7.50 0.00 0.00 -5.34 4.06 -1.93 0.27 115.95 120.51 2bvj h TRP 74 Ca -0.24 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.71 2bvj h TRP 74 Cb 1.09 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.25 2bvj h TRP 74 CO 0.75 0.00 0.00 0.00 -3.56 0.00 0.00 178.44 175.63 2bvj h ARG 75 N 0.00 0.00 -0.07 0.49 3.08 -1.95 0.17 114.38 116.09 2bvj h ARG 75 Ca 0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.10 2bvj h ARG 75 Cb 0.36 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.41 2bvj h ARG 75 CO -0.00 0.00 0.00 0.09 -1.07 0.00 0.00 179.97 178.99 2bvj n ASN 76 N -2.87 2.28 -4.94 7.04 3.02 0.08 -4.90 115.26 114.97 2bvj n ASN 76 Ca -0.02 -1.76 -0.24 0.00 -0.03 0.00 0.00 54.58 52.52 2bvj n ASN 76 Cb 0.10 -0.03 -0.01 0.00 -0.61 0.00 0.00 39.78 39.23 2bvj n ASN 76 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 2bvj s SER 77 N -1.91 6.29 0.00 6.41 0.15 0.59 -3.89 113.70 121.34 2bvj s SER 77 Ca 0.34 0.53 0.25 0.00 0.70 0.00 0.00 55.95 57.77 2bvj s SER 77 Cb 0.20 -2.07 0.41 0.00 -1.71 0.00 0.00 66.02 62.86 2bvj s SER 77 CO 0.31 -0.34 1.38 0.35 1.20 0.00 0.00 173.24 176.15 2bvj n THR 78 N -1.85 0.01 -2.08 6.45 -2.24 -0.86 -4.92 114.28 108.79 2bvj n THR 78 Ca -0.04 -0.44 -0.42 0.00 -2.27 0.00 0.00 64.05 60.87 2bvj n THR 78 Cb 0.56 1.23 -0.03 0.00 -2.10 0.00 0.00 70.33 70.00 2bvj n THR 78 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2bvj s THR 79 N -1.99 3.64 0.18 4.28 2.01 -1.26 -4.94 115.64 117.55 2bvj s THR 79 Ca 0.31 0.84 -0.33 0.00 0.31 0.00 0.00 61.69 62.82 2bvj s THR 79 Cb 0.20 -3.54 -0.12 0.00 0.01 0.00 0.00 72.50 69.05 2bvj s THR 79 CO 0.31 -0.06 1.70 -2.65 -0.69 0.00 0.00 174.62 173.23 2bvj n PRO 80 N 6.72 2.59 0.00 4.92 -0.02 -1.26 -5.06 135.00 142.89 2bvj n PRO 80 Ca 0.16 0.94 0.00 0.00 -2.02 0.00 0.00 63.50 62.58 2bvj n PRO 80 Cb 0.43 -2.77 0.00 0.00 -0.02 0.00 0.00 33.50 31.14 2bvj n PRO 80 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2bvj n LEU 81 N 4.09 0.00 0.05 2.45 4.77 -1.26 -5.25 117.00 121.85 2bvj n LEU 81 Ca 0.17 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.15 2bvj n LEU 81 Cb 0.33 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.42 2bvj n LEU 81 CO 0.64 0.00 0.00 0.18 -1.33 0.00 0.00 177.39 176.88 2bvj n LEU 88 N 0.00 0.48 -4.55 2.23 7.99 -1.26 -5.23 117.00 116.66 2bvj n LEU 88 Ca 0.00 0.17 -0.38 0.00 -0.01 0.00 0.00 56.01 55.79 2bvj n LEU 88 Cb 0.00 -0.07 -0.03 0.00 -0.11 0.00 0.00 43.42 43.21 2bvj n LEU 88 CO 0.00 -0.68 1.39 0.20 -1.51 0.00 0.00 177.39 176.79 2bvj s ASN 89 N -5.37 5.77 0.32 -1.43 -0.87 -1.26 -4.97 114.94 107.14 2bvj s ASN 89 Ca 0.00 -0.38 -0.29 0.00 -1.57 0.00 0.00 52.86 50.62 2bvj s ASN 89 Cb 0.00 -2.55 -0.10 0.00 -0.02 0.00 0.00 41.25 38.58 2bvj s ASN 89 CO 0.00 -2.10 1.24 -1.00 -2.57 0.00 0.00 177.10 172.67 2bvj s HIS 90 N 7.35 3.20 1.09 2.20 4.02 -1.26 -5.00 115.29 126.89 2bvj s HIS 90 Ca 0.52 1.51 -0.14 0.00 1.02 0.00 0.00 55.06 57.97 2bvj s HIS 90 Cb -0.08 -3.55 0.23 0.00 -1.02 0.00 0.00 32.58 28.17 2bvj s HIS 90 CO 0.11 -1.45 1.08 0.54 1.02 0.00 0.00 174.74 176.04 2bvj s ASN 91 N -0.65 1.83 0.21 1.40 2.20 -1.26 -4.80 114.94 113.86 2bvj s ASN 91 Ca 0.48 1.08 -0.15 0.00 -0.94 0.00 0.00 52.86 53.34 2bvj s ASN 91 Cb -0.37 -1.68 0.22 0.00 -2.00 0.00 0.00 41.25 37.42 2bvj s ASN 91 CO 0.49 -3.62 1.62 -0.03 -2.94 0.00 0.00 177.10 172.62 2bvj h MET 92 N -2.23 -0.03 0.00 3.55 1.85 -1.94 -0.09 114.93 116.04 2bvj h MET 92 Ca -0.54 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 58.55 2bvj h MET 92 Cb 1.33 0.01 0.00 0.00 0.43 0.00 0.00 31.60 33.37 2bvj h MET 92 CO 0.51 -0.02 0.00 1.25 -0.40 0.00 0.00 176.91 178.25 2bvj h LEU 93 N -0.03 0.00 -3.67 3.39 5.85 -1.99 -2.21 115.31 116.65 2bvj h LEU 93 Ca 0.29 0.00 -0.38 0.00 0.84 0.00 0.00 57.88 58.63 2bvj h LEU 93 Cb 0.48 0.00 -0.22 0.00 0.37 0.00 0.00 40.66 41.29 2bvj h LEU 93 CO -0.65 0.00 0.20 -0.62 -0.34 0.00 0.00 178.44 177.03 2bvj n GLU 94 N -2.92 2.21 -4.13 1.25 1.02 -0.07 -4.87 120.64 113.14 2bvj n GLU 94 Ca -0.01 -3.24 -0.11 0.00 -0.02 0.00 0.00 57.16 53.79 2bvj n GLU 94 Cb 0.20 -2.03 -0.11 0.00 -0.02 0.00 0.00 31.44 29.49 2bvj n GLU 94 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 2bvj s SER 95 N -2.16 1.01 0.37 1.62 0.01 -0.83 -3.93 113.70 109.80 2bvj s SER 95 Ca 0.52 -0.83 0.08 0.00 1.31 0.00 0.00 55.95 57.02 2bvj s SER 95 Cb 0.44 0.08 -0.06 0.00 0.21 0.00 0.00 66.02 66.69 2bvj s SER 95 CO 0.03 -0.37 0.08 -1.81 0.41 0.00 0.00 173.24 171.58 2bvj s ASP 96 N -2.49 4.27 0.70 2.44 1.01 -1.26 -4.64 116.67 116.70 2bvj s ASP 96 Ca 0.03 -1.05 -0.14 0.00 0.71 0.00 0.00 52.55 52.11 2bvj s ASP 96 Cb -0.00 -0.51 0.02 0.00 1.01 0.00 0.00 42.92 43.43 2bvj s ASP 96 CO -0.03 -0.38 1.11 -2.16 0.21 0.00 0.00 175.17 173.92 2bvj s PRO 97 N -3.79 2.59 0.30 8.23 0.04 -1.26 -1.11 135.00 140.00 2bvj s PRO 97 Ca 0.37 1.35 0.26 0.00 0.04 0.00 0.00 61.00 63.02 2bvj s PRO 97 Cb 0.02 -1.93 0.79 0.00 0.04 0.00 0.00 34.50 33.43 2bvj s PRO 97 CO 0.21 -1.41 1.75 -1.00 0.04 0.00 0.00 177.00 176.58 2bvj h PRO 98 N -0.34 0.00 -0.07 0.56 0.13 -2.01 -3.45 132.00 126.82 2bvj h PRO 98 Ca -0.46 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.69 2bvj h PRO 98 Cb 1.24 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.36 2bvj h PRO 98 CO 0.53 0.00 -0.02 -0.09 -0.23 0.00 0.00 178.00 178.19 2bvj h ARG 99 N 0.00 -0.01 -0.52 0.86 2.43 -1.88 -1.67 114.38 113.59 2bvj h ARG 99 Ca 0.00 0.00 0.01 0.00 -0.81 0.00 0.00 59.98 59.18 2bvj h ARG 99 Cb 0.70 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.23 2bvj h ARG 99 CO 0.00 -0.00 0.34 1.25 -1.51 0.00 0.00 179.97 180.04 2bvj h HIS 100 N -0.01 0.63 -0.68 2.20 2.76 -1.38 -1.76 115.15 116.92 2bvj h HIS 100 Ca 0.04 0.02 0.10 0.00 -2.20 0.00 0.00 60.37 58.32 2bvj h HIS 100 Cb 0.06 -0.21 -0.08 0.00 1.55 0.00 0.00 27.41 28.73 2bvj h HIS 100 CO -0.13 0.39 0.29 1.15 -1.30 0.00 0.00 177.93 178.32 2bvj h THR 101 N 0.68 0.78 -0.01 6.26 2.02 -1.69 0.16 112.91 121.10 2bvj h THR 101 Ca 0.20 -0.17 -0.00 0.00 0.77 0.00 0.00 66.41 67.21 2bvj h THR 101 Cb -0.05 0.25 -0.00 0.00 -1.74 0.00 0.00 68.15 66.61 2bvj h THR 101 CO -0.06 0.09 -0.00 -0.09 0.37 0.00 0.00 175.52 175.82 2bvj h ARG 102 N 0.49 0.03 -0.53 6.66 2.43 -0.93 -2.21 114.38 120.32 2bvj h ARG 102 Ca 0.34 -0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.52 2bvj h ARG 102 Cb 0.42 -0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.94 2bvj h ARG 102 CO -0.31 0.40 0.33 -0.07 -1.51 0.00 0.00 179.97 178.81 2bvj h LEU 103 N -0.34 0.55 -0.68 3.80 3.38 -0.87 -1.65 115.31 119.50 2bvj h LEU 103 Ca 0.00 -0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 2bvj h LEU 103 Cb 0.39 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.98 2bvj h LEU 103 CO 0.00 0.39 0.28 -0.09 0.09 0.00 0.00 178.44 179.12 2bvj h ARG 104 N 0.67 1.01 -0.39 1.13 9.65 -0.73 -2.48 114.38 123.24 2bvj h ARG 104 Ca 0.20 -0.18 -0.11 0.00 -1.10 0.00 0.00 59.98 58.79 2bvj h ARG 104 Cb -0.02 -0.17 -0.01 0.00 -1.39 0.00 0.00 29.97 28.38 2bvj h ARG 104 CO -0.07 0.84 -0.22 0.87 2.80 0.00 0.00 179.97 184.19 2bvj h LYS 105 N 0.96 0.77 -0.30 0.20 1.79 -1.14 0.78 116.57 119.63 2bvj h LYS 105 Ca 0.23 -0.31 -0.01 0.00 -2.18 0.00 0.00 60.65 58.39 2bvj h LYS 105 Cb 0.20 -0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 30.79 2bvj h LYS 105 CO -0.02 0.92 0.17 -0.07 -1.08 0.00 0.00 179.45 179.37 2bvj h LEU 106 N 0.67 0.37 -0.06 2.94 3.38 -1.08 -2.38 115.31 119.16 2bvj h LEU 106 Ca 0.09 -0.08 -0.25 0.00 0.09 0.00 0.00 57.88 57.74 2bvj h LEU 106 Cb 0.73 -0.10 0.01 0.00 0.09 0.00 0.00 40.66 41.39 2bvj h LEU 106 CO 0.06 0.35 -1.06 1.62 0.09 0.00 0.00 178.44 179.50 2bvj h VAL 107 N 0.37 1.41 -0.66 1.22 3.04 -1.38 -3.28 116.25 116.98 2bvj h VAL 107 Ca 0.11 -2.60 0.05 0.00 -1.01 0.00 0.00 66.70 63.25 2bvj h VAL 107 Cb 0.05 2.58 -0.04 0.00 -2.01 0.00 0.00 31.29 31.88 2bvj h VAL 107 CO -0.02 0.77 0.43 0.00 -1.01 0.00 0.00 177.57 177.75 2bvj h ALA 108 N 0.64 1.71 0.00 3.17 0.00 -0.76 0.34 119.26 124.36 2bvj h ALA 108 Ca -0.11 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 2bvj h ALA 108 Cb 1.72 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 19.31 2bvj h ALA 108 CO 0.18 0.20 -0.16 -0.09 0.00 0.00 0.00 179.25 179.38 2bvj h ARG 109 N 0.71 0.00 0.00 0.00 2.43 -1.48 -3.26 114.38 112.78 2bvj h ARG 109 Ca 0.27 0.00 -0.33 0.00 -0.81 0.00 0.00 59.98 59.12 2bvj h ARG 109 Cb 0.19 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 29.68 2bvj h ARG 109 CO -0.08 0.16 -2.24 0.39 -1.51 0.00 0.00 179.97 176.68 2bvj n GLU 110 N -3.98 0.76 -2.47 0.20 -0.58 -0.57 -4.68 120.64 109.32 2bvj n GLU 110 Ca -0.02 0.08 -0.43 0.00 -0.42 0.00 0.00 57.16 56.37 2bvj n GLU 110 Cb 0.25 -1.45 0.00 0.00 -0.57 0.00 0.00 31.44 29.67 2bvj n GLU 110 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 2bvj n PHE 111 N -2.98 4.17 -3.42 -0.32 -0.00 0.11 -4.80 117.46 110.21 2bvj n PHE 111 Ca -0.36 -3.01 -0.19 0.00 -0.00 0.00 0.00 57.45 53.89 2bvj n PHE 111 Cb 0.97 -2.34 -0.01 0.00 -0.00 0.00 0.00 39.48 38.09 2bvj n PHE 111 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 176.76 177.71 2bvj s THR 112 N 2.42 3.38 0.35 -2.13 -4.23 -1.26 -4.76 115.64 109.41 2bvj s THR 112 Ca 0.46 -1.14 0.02 0.00 -1.18 0.00 0.00 61.69 59.86 2bvj s THR 112 Cb 0.05 -3.16 0.26 0.00 1.34 0.00 0.00 72.50 70.99 2bvj s THR 112 CO 0.01 -0.08 2.01 0.24 -0.54 0.00 0.00 174.62 176.25 2bvj h MET 113 N 0.92 0.82 -0.45 3.99 2.86 -1.93 -0.89 114.93 120.24 2bvj h MET 113 Ca -0.43 -0.05 -0.08 0.00 -2.06 0.00 0.00 59.70 57.08 2bvj h MET 113 Cb 1.26 -0.18 -0.02 0.00 0.06 0.00 0.00 31.60 32.73 2bvj h MET 113 CO 0.52 0.55 -0.02 -0.09 1.06 0.00 0.00 176.91 178.94 2bvj h ARG 114 N 0.84 0.81 -0.67 1.72 2.43 -1.96 0.35 114.38 117.90 2bvj h ARG 114 Ca 0.23 -0.27 -0.06 0.00 -0.81 0.00 0.00 59.98 59.07 2bvj h ARG 114 Cb -0.08 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.37 2bvj h ARG 114 CO -0.05 0.88 0.20 -0.09 -1.51 0.00 0.00 179.97 179.40 2bvj h ARG 115 N 0.66 1.03 -0.20 0.20 2.43 -1.65 -1.20 114.38 115.65 2bvj h ARG 115 Ca 0.13 -0.22 -0.03 0.00 -0.81 0.00 0.00 59.98 59.05 2bvj h ARG 115 Cb 0.53 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.92 2bvj h ARG 115 CO 0.03 0.89 -0.01 0.28 -1.51 0.00 0.00 179.97 179.65 2bvj h VAL 116 N 0.99 1.26 -0.59 0.20 2.07 -0.98 -2.77 116.25 116.45 2bvj h VAL 116 Ca 0.22 -0.90 0.06 0.00 0.82 0.00 0.00 66.70 66.89 2bvj h VAL 116 Cb 0.30 1.47 -0.03 0.00 -1.52 0.00 0.00 31.29 31.50 2bvj h VAL 116 CO -0.01 0.27 0.39 -0.08 0.02 0.00 0.00 177.57 178.17 2bvj h GLU 117 N 0.10 0.55 0.00 1.57 4.57 -0.62 0.70 114.58 121.46 2bvj h GLU 117 Ca 0.05 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.20 2bvj h GLU 117 Cb 0.41 -0.13 0.00 0.00 -0.16 0.00 0.00 28.75 28.88 2bvj h GLU 117 CO 0.01 0.37 0.00 -0.07 -1.18 0.00 0.00 179.01 178.14 2bvj h LEU 118 N 0.57 0.00 0.00 1.64 3.38 -0.96 -2.76 115.31 117.19 2bvj h LEU 118 Ca 0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.22 2bvj h LEU 118 Cb 0.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.01 2bvj h LEU 118 CO -0.07 0.00 -0.24 0.18 0.09 0.00 0.00 178.44 178.40 2bvj n LEU 119 N -2.39 0.25 -0.07 1.67 4.77 0.24 -4.39 117.00 117.08 2bvj n LEU 119 Ca 0.03 0.27 -0.14 0.00 -0.03 0.00 0.00 56.01 56.14 2bvj n LEU 119 Cb 0.29 -0.38 -0.09 0.00 -2.33 0.00 0.00 43.42 40.92 2bvj n LEU 119 CO 0.23 0.05 0.52 -0.09 -1.33 0.00 0.00 177.39 176.78 2bvj h ARG 120 N 0.00 -0.46 -0.96 3.23 2.43 -1.47 0.17 114.38 117.32 2bvj h ARG 120 Ca 0.00 0.03 0.18 0.00 -0.81 0.00 0.00 59.98 59.38 2bvj h ARG 120 Cb 0.51 0.10 -0.09 0.00 -0.42 0.00 0.00 29.97 30.08 2bvj h ARG 120 CO 0.00 -0.31 0.61 -1.00 -1.51 0.00 0.00 179.97 177.76 2bvj h PRO 121 N -0.48 0.65 -0.22 0.20 0.13 -1.83 0.25 132.00 130.71 2bvj h PRO 121 Ca 0.07 -0.04 -0.15 0.00 -0.87 0.00 0.00 66.00 65.01 2bvj h PRO 121 Cb 0.64 -0.15 0.00 0.00 0.13 0.00 0.00 31.00 31.62 2bvj h PRO 121 CO -0.51 0.43 -0.44 0.00 -0.23 0.00 0.00 178.00 177.25 2bvj h ARG 122 N 0.67 0.69 -0.61 0.86 2.47 -1.63 -1.36 114.38 115.48 2bvj h ARG 122 Ca 0.51 -0.45 -0.02 0.00 -1.26 0.00 0.00 59.98 58.77 2bvj h ARG 122 Cb 0.90 0.06 -0.03 0.00 -1.65 0.00 0.00 29.97 29.25 2bvj h ARG 122 CO -0.27 1.07 0.32 0.28 0.56 0.00 0.00 179.97 181.92 2bvj h VAL 123 N 0.41 1.20 -0.54 2.04 2.07 0.41 0.21 116.25 122.05 2bvj h VAL 123 Ca 0.01 -0.55 -0.00 0.00 0.82 0.00 0.00 66.70 66.98 2bvj h VAL 123 Cb 1.04 0.45 -0.03 0.00 -1.52 0.00 0.00 31.29 31.24 2bvj h VAL 123 CO 0.10 0.23 0.33 -0.61 0.02 0.00 0.00 177.57 177.64 2bvj h GLN 124 N 0.83 0.72 -0.13 1.57 5.75 -0.54 -0.35 115.11 122.97 2bvj h GLN 124 Ca 0.21 -0.06 0.02 0.00 -0.15 0.00 0.00 58.65 58.68 2bvj h GLN 124 Cb 0.08 -0.15 -0.02 0.00 1.07 0.00 0.00 27.48 28.45 2bvj h GLN 124 CO -0.03 0.52 -0.03 1.49 -2.65 0.00 0.00 178.83 178.13 2bvj h GLU 125 N 0.72 0.01 -0.43 1.69 4.81 -0.67 0.21 114.58 120.92 2bvj h GLU 125 Ca 0.19 -0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.43 2bvj h GLU 125 Cb -0.03 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.33 2bvj h GLU 125 CO -0.04 0.00 0.29 0.82 -0.73 0.00 0.00 179.01 179.35 2bvj h ILE 126 N 0.01 1.11 0.08 2.32 2.04 -0.63 -1.54 117.51 120.90 2bvj h ILE 126 Ca 0.06 -0.20 -0.00 0.00 1.00 0.00 0.00 64.86 65.72 2bvj h ILE 126 Cb 0.09 0.47 0.00 0.00 -0.74 0.00 0.00 36.82 36.64 2bvj h ILE 126 CO -0.13 0.11 -0.04 0.58 0.00 0.00 0.00 178.15 178.67 2bvj h VAL 127 N 0.58 1.03 -0.79 1.67 2.07 -0.69 -1.91 116.25 118.21 2bvj h VAL 127 Ca 0.16 -0.40 0.15 0.00 0.82 0.00 0.00 66.70 67.43 2bvj h VAL 127 Cb -0.06 1.29 -0.10 0.00 -1.52 0.00 0.00 31.29 30.90 2bvj h VAL 127 CO -0.04 0.10 0.35 0.44 0.02 0.00 0.00 177.57 178.44 2bvj h ASP 128 N -0.29 0.37 -0.54 0.57 3.32 -0.45 -0.74 116.42 118.65 2bvj h ASP 128 Ca -0.01 0.10 -0.06 0.00 0.02 0.00 0.00 57.03 57.08 2bvj h ASP 128 Cb 0.25 0.06 -0.02 0.00 0.22 0.00 0.00 39.33 39.84 2bvj h ASP 128 CO 0.02 0.14 0.10 1.23 -1.72 0.00 0.00 179.24 179.01 2bvj h GLY 129 N 0.50 0.96 1.16 2.75 0.00 -1.11 -0.98 103.07 106.35 2bvj h GLY 129 Ca 0.44 -0.63 -0.11 0.00 0.00 0.00 0.00 47.33 47.03 2bvj h GLY 129 CO -0.39 0.58 -0.10 1.41 0.00 0.00 0.00 176.54 178.04 2bvj h LEU 130 N 0.78 0.98 -0.78 3.11 3.38 -0.52 -2.41 115.31 119.86 2bvj h LEU 130 Ca 0.17 -0.32 -0.11 0.00 0.09 0.00 0.00 57.88 57.71 2bvj h LEU 130 Cb 0.39 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 2bvj h LEU 130 CO 0.01 1.09 -0.24 0.58 0.09 0.00 0.00 178.44 179.97 2bvj h VAL 131 N 0.88 1.27 -0.38 1.22 2.07 -1.05 -1.42 116.25 118.84 2bvj h VAL 131 Ca 0.14 -1.33 0.01 0.00 0.82 0.00 0.00 66.70 66.34 2bvj h VAL 131 Cb 0.65 1.28 -0.02 0.00 -1.52 0.00 0.00 31.29 31.68 2bvj h VAL 131 CO 0.05 0.43 0.23 0.44 0.02 0.00 0.00 177.57 178.74 2bvj h ASP 132 N 0.57 0.39 -0.59 0.57 3.32 -0.91 -0.72 116.42 119.05 2bvj h ASP 132 Ca 0.08 -0.00 -0.10 0.00 0.02 0.00 0.00 57.03 57.03 2bvj h ASP 132 Cb 0.72 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 40.16 2bvj h ASP 132 CO 0.06 0.28 -0.01 0.00 -1.72 0.00 0.00 179.24 177.85 2bvj h ALA 133 N 1.16 0.79 -0.60 3.45 0.00 -1.24 -3.11 119.26 119.71 2bvj h ALA 133 Ca 0.14 -0.31 -0.07 0.00 0.00 0.00 0.00 54.91 54.67 2bvj h ALA 133 Cb -0.02 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 2bvj h ALA 133 CO -0.05 0.64 0.09 1.98 0.00 0.00 0.00 179.25 181.91 2bvj h MET 134 N 0.94 0.99 0.00 0.00 1.85 -0.95 -2.83 114.93 114.92 2bvj h MET 134 Ca 0.17 -0.27 0.00 0.00 -0.61 0.00 0.00 59.70 58.99 2bvj h MET 134 Cb 0.56 -0.11 0.00 0.00 0.43 0.00 0.00 31.60 32.48 2bvj h MET 134 CO 0.03 0.94 0.00 1.28 -0.40 0.00 0.00 176.91 178.76 2bvj n LEU 135 N -4.30 0.00 -0.16 3.39 4.77 -0.30 -2.55 117.00 117.85 2bvj n LEU 135 Ca 0.03 0.00 0.13 0.00 -0.03 0.00 0.00 56.01 56.14 2bvj n LEU 135 Cb 0.28 0.00 0.32 0.00 -2.33 0.00 0.00 43.42 41.69 2bvj n LEU 135 CO 0.42 0.00 0.57 0.00 -1.33 0.00 0.00 177.39 177.05 2bvj n ALA 136 N -0.73 3.28 -1.68 -1.18 0.00 -1.07 -4.91 120.51 114.23 2bvj n ALA 136 Ca 0.09 -0.39 -0.46 0.00 0.00 0.00 0.00 53.44 52.68 2bvj n ALA 136 Cb 0.04 -1.12 -0.04 0.00 0.00 0.00 0.00 19.45 18.33 2bvj n ALA 136 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2bvj n ALA 137 N -0.95 1.33 -0.24 0.00 0.00 -1.06 -4.88 120.51 114.71 2bvj n ALA 137 Ca 0.10 0.31 0.14 0.00 0.00 0.00 0.00 53.44 53.98 2bvj n ALA 137 Cb 0.35 -2.52 0.44 0.00 0.00 0.00 0.00 19.45 17.71 2bvj n ALA 137 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 2bvj h PRO 138 N 8.72 0.55 -0.68 0.00 0.11 -1.91 -2.20 132.00 136.59 2bvj h PRO 138 Ca -0.48 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.60 2bvj h PRO 138 Cb 1.25 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.24 2bvj h PRO 138 CO 0.94 0.36 0.00 -0.40 -0.21 0.00 0.00 178.00 178.69 2bvj n ASP 139 N -4.53 4.02 -2.62 -2.05 5.75 -1.26 -4.94 116.55 110.92 2bvj n ASP 139 Ca 0.17 -2.15 -0.20 0.00 -0.01 0.00 0.00 54.79 52.60 2bvj n ASP 139 Cb 0.53 -0.50 0.00 0.00 -1.03 0.00 0.00 41.12 40.12 2bvj n ASP 139 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2bvj n GLY 140 N 1.43 -0.51 3.21 6.12 0.00 -0.83 -4.97 105.19 109.64 2bvj n GLY 140 Ca 0.24 0.04 -0.15 0.00 0.00 0.00 0.00 46.02 46.15 2bvj n GLY 140 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2bvj s ARG 141 N -5.27 0.95 -0.19 1.61 0.52 -1.26 -2.61 118.95 112.70 2bvj s ARG 141 Ca 0.10 -1.28 -0.35 0.00 -0.52 0.00 0.00 55.73 53.68 2bvj s ARG 141 Cb -0.05 -0.62 0.14 0.00 0.52 0.00 0.00 34.95 34.95 2bvj s ARG 141 CO 0.12 0.09 1.27 0.00 0.02 0.00 0.00 175.30 176.80 2bvj s ALA 142 N -2.73 -2.14 -0.39 2.13 0.00 -0.84 -4.82 121.76 112.96 2bvj s ALA 142 Ca 0.10 1.55 -0.18 0.00 0.00 0.00 0.00 51.96 53.43 2bvj s ALA 142 Cb -0.01 -0.12 0.01 0.00 0.00 0.00 0.00 23.12 23.00 2bvj s ALA 142 CO 0.01 -0.65 0.48 0.34 0.00 0.00 0.00 175.76 175.93 2bvj s ASP 143 N -2.26 6.24 0.52 0.00 2.15 -1.26 -0.22 116.67 121.83 2bvj s ASP 143 Ca 0.11 -0.38 0.21 0.00 0.43 0.00 0.00 52.55 52.92 2bvj s ASP 143 Cb 0.00 -2.25 1.32 0.00 -0.30 0.00 0.00 42.92 41.69 2bvj s ASP 143 CO -0.04 -0.54 2.04 0.25 -0.17 0.00 0.00 175.17 176.71 2bvj h LEU 144 N 9.11 0.04 0.10 -1.34 5.85 -1.36 -1.40 115.31 126.31 2bvj h LEU 144 Ca -0.27 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.44 2bvj h LEU 144 Cb 1.12 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.14 2bvj h LEU 144 CO 0.79 0.03 -0.05 0.24 -0.34 0.00 0.00 178.44 179.11 2bvj h MET 145 N 0.05 -0.12 -0.67 1.25 2.86 -1.93 -0.38 114.93 115.99 2bvj h MET 145 Ca 0.18 0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 57.81 2bvj h MET 145 Cb 0.66 0.03 -0.03 0.00 0.06 0.00 0.00 31.60 32.32 2bvj h MET 145 CO -0.01 0.26 0.33 1.49 1.06 0.00 0.00 176.91 180.04 2bvj h GLU 146 N -0.53 0.96 0.00 1.72 4.81 -1.85 0.15 114.58 119.84 2bvj h GLU 146 Ca -0.01 -0.14 -0.14 0.00 -0.13 0.00 0.00 59.36 58.95 2bvj h GLU 146 Cb 0.44 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.63 2bvj h GLU 146 CO 0.02 0.75 -0.64 0.77 -0.73 0.00 0.00 179.01 179.18 2bvj h SER 147 N 0.93 0.00 0.00 1.04 0.02 -1.28 -3.41 113.55 110.84 2bvj h SER 147 Ca 0.23 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.18 2bvj h SER 147 Cb 0.10 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.64 2bvj h SER 147 CO -0.03 0.64 0.00 -0.11 -1.14 0.00 0.00 176.83 176.19 2bvj n LEU 148 N -3.38 -0.35 -0.25 5.07 7.94 -0.24 -4.78 117.00 121.01 2bvj n LEU 148 Ca 0.01 0.37 0.05 0.00 -1.11 0.00 0.00 56.01 55.33 2bvj n LEU 148 Cb 0.74 0.49 0.18 0.00 0.53 0.00 0.00 43.42 45.37 2bvj n LEU 148 CO 0.42 -0.64 0.96 0.00 -1.11 0.00 0.00 177.39 177.02 2bvj h ALA 149 N 0.00 0.98 0.03 1.96 0.00 -1.22 -1.53 119.26 119.48 2bvj h ALA 149 Ca 0.00 0.15 -0.10 0.00 0.00 0.00 0.00 54.91 54.96 2bvj h ALA 149 Cb 0.00 0.18 0.01 0.00 0.00 0.00 0.00 17.79 17.98 2bvj h ALA 149 CO 0.00 -0.30 -0.42 2.35 0.00 0.00 0.00 179.25 180.88 2bvj h TRP 150 N 0.32 0.36 -0.20 0.00 7.01 -0.94 -3.37 115.95 119.14 2bvj h TRP 150 Ca 0.41 -0.22 -0.13 0.00 2.11 0.00 0.00 58.89 61.06 2bvj h TRP 150 Cb 0.68 -0.03 -0.01 0.00 -2.10 0.00 0.00 29.16 27.70 2bvj h TRP 150 CO -0.23 1.08 -0.42 -1.35 -2.79 0.00 0.00 178.44 174.73 2bvj h PRO 151 N -0.45 0.48 0.38 2.65 0.11 -1.74 -3.36 132.00 130.05 2bvj h PRO 151 Ca -0.06 -0.25 -0.00 0.00 0.11 0.00 0.00 66.00 65.80 2bvj h PRO 151 Cb 1.22 0.01 -0.02 0.00 0.11 0.00 0.00 31.00 32.31 2bvj h PRO 151 CO 0.08 0.82 -0.40 1.25 -0.21 0.00 0.00 178.00 179.54 2bvj h LEU 152 N 0.39 -1.10 -0.64 2.35 5.85 -1.44 -2.24 115.31 118.49 2bvj h LEU 152 Ca 0.03 0.10 0.08 0.00 0.84 0.00 0.00 57.88 58.93 2bvj h LEU 152 Cb 0.91 0.37 -0.06 0.00 0.37 0.00 0.00 40.66 42.24 2bvj h LEU 152 CO 0.08 -0.55 0.30 -0.65 -0.34 0.00 0.00 178.44 177.28 2bvj h PRO 153 N -0.81 0.52 -0.15 5.25 0.11 -1.74 -0.25 132.00 134.92 2bvj h PRO 153 Ca -0.03 -0.03 -0.10 0.00 0.11 0.00 0.00 66.00 65.95 2bvj h PRO 153 Cb 0.73 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.71 2bvj h PRO 153 CO -0.08 0.34 -0.36 0.97 -0.21 0.00 0.00 178.00 178.67 2bvj h ILE 154 N 0.53 1.29 -0.30 4.15 6.09 -1.71 -0.40 117.51 127.16 2bvj h ILE 154 Ca 0.31 -1.41 -0.17 0.00 -1.37 0.00 0.00 64.86 62.21 2bvj h ILE 154 Cb 0.30 1.57 -0.00 0.00 0.47 0.00 0.00 36.82 39.16 2bvj h ILE 154 CO -0.25 0.43 -0.49 0.74 -3.07 0.00 0.00 178.15 175.51 2bvj h THR 155 N 0.26 1.28 -0.67 2.19 2.02 -0.84 -1.38 112.91 115.78 2bvj h THR 155 Ca 0.03 -1.68 -0.08 0.00 0.77 0.00 0.00 66.41 65.45 2bvj h THR 155 Cb 0.75 1.56 -0.03 0.00 -1.74 0.00 0.00 68.15 68.70 2bvj h THR 155 CO 0.06 0.55 0.09 0.58 0.37 0.00 0.00 175.52 177.17 2bvj h VAL 156 N 0.66 1.27 -0.74 3.16 2.07 -0.78 -2.07 116.25 119.82 2bvj h VAL 156 Ca 0.03 -1.06 0.01 0.00 0.82 0.00 0.00 66.70 66.50 2bvj h VAL 156 Cb 1.08 0.65 -0.04 0.00 -1.52 0.00 0.00 31.29 31.46 2bvj h VAL 156 CO 0.11 0.40 0.49 0.40 0.02 0.00 0.00 177.57 178.99 2bvj h ILE 157 N 1.04 1.18 -0.95 4.57 1.08 -0.89 -0.11 117.51 123.43 2bvj h ILE 157 Ca 0.20 -0.34 0.07 0.00 -0.39 0.00 0.00 64.86 64.41 2bvj h ILE 157 Cb 0.46 0.10 -0.07 0.00 -3.07 0.00 0.00 36.82 34.24 2bvj h ILE 157 CO 0.02 0.18 0.60 0.28 -0.69 0.00 0.00 178.15 178.53 2bvj h SER 158 N 0.99 0.93 -0.19 1.72 0.02 -0.72 -0.04 113.55 116.26 2bvj h SER 158 Ca 0.28 0.02 -0.04 0.00 -0.84 0.00 0.00 61.79 61.21 2bvj h SER 158 Cb -0.10 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.26 2bvj h SER 158 CO -0.07 0.58 -0.04 -0.08 -1.14 0.00 0.00 176.83 176.09 2bvj h GLU 159 N 1.06 0.37 -0.27 3.45 4.57 -0.68 0.19 114.58 123.27 2bvj h GLU 159 Ca 0.42 -0.14 0.01 0.00 -1.18 0.00 0.00 59.36 58.47 2bvj h GLU 159 Cb 0.23 -0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 28.78 2bvj h GLU 159 CO -0.19 0.61 0.17 1.25 -1.18 0.00 0.00 179.01 179.66 2bvj h LEU 160 N 0.10 0.27 -0.39 1.64 5.85 -0.37 -2.60 115.31 119.80 2bvj h LEU 160 Ca 0.05 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.77 2bvj h LEU 160 Cb 0.47 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.44 2bvj h LEU 160 CO 0.02 0.20 0.00 0.18 -0.34 0.00 0.00 178.44 178.50 2bvj n LEU 161 N -4.92 0.58 -3.19 2.25 4.77 -0.09 -0.82 117.00 115.58 2bvj n LEU 161 Ca -0.02 -0.26 -0.19 0.00 -0.03 0.00 0.00 56.01 55.51 2bvj n LEU 161 Cb 0.04 -0.05 0.07 0.00 -2.33 0.00 0.00 43.42 41.15 2bvj n LEU 161 CO 0.33 0.13 0.19 0.61 -1.33 0.00 0.00 177.39 177.32 2bvj n GLY 162 N 0.82 -0.33 3.68 -0.72 0.00 -0.94 -4.49 105.19 103.21 2bvj n GLY 162 Ca 0.10 0.11 -0.43 0.00 0.00 0.00 0.00 46.02 45.81 2bvj n GLY 162 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2bvj s VAL 163 N -3.29 4.67 0.33 1.61 1.01 0.64 -4.99 120.40 120.38 2bvj s VAL 163 Ca 0.38 1.96 -0.29 0.00 0.00 0.00 0.00 61.98 64.03 2bvj s VAL 163 Cb -0.17 -4.26 -0.11 0.00 0.00 0.00 0.00 36.38 31.83 2bvj s VAL 163 CO 0.64 -0.05 1.52 -2.65 0.00 0.00 0.00 175.10 174.55 2bvj n PRO 164 N 5.47 2.62 -0.34 2.72 -0.02 -1.26 -4.77 135.00 139.43 2bvj n PRO 164 Ca 0.10 0.93 0.08 0.00 -2.02 0.00 0.00 63.50 62.59 2bvj n PRO 164 Cb 0.47 -2.67 0.18 0.00 -0.02 0.00 0.00 33.50 31.47 2bvj n PRO 164 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 2bvj h GLU 165 N 3.77 0.01 -0.10 -0.52 4.57 -1.97 0.47 114.58 120.81 2bvj h GLU 165 Ca -0.49 -0.00 0.03 0.00 -1.18 0.00 0.00 59.36 57.72 2bvj h GLU 165 Cb 1.24 -0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.82 2bvj h GLU 165 CO 0.71 0.01 0.25 -1.35 -1.18 0.00 0.00 179.01 177.45 2bvj h PRO 166 N 0.01 0.00 0.00 0.92 0.11 -2.04 -0.82 132.00 130.18 2bvj h PRO 166 Ca 0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.61 2bvj h PRO 166 Cb 0.85 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.96 2bvj h PRO 166 CO -0.95 0.00 -1.27 -0.25 -0.21 0.00 0.00 178.00 175.32 2bvj n ASP 167 N -3.25 0.53 -0.15 -2.05 8.00 0.16 -4.54 116.55 115.24 2bvj n ASP 167 Ca -0.00 -0.14 -0.13 0.00 0.71 0.00 0.00 54.79 55.23 2bvj n ASP 167 Cb 0.34 1.07 -0.09 0.00 -0.02 0.00 0.00 41.12 42.42 2bvj n ASP 167 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 2bvj h ARG 168 N 0.00 -0.35 -0.51 -1.24 2.47 -0.90 0.37 114.38 114.22 2bvj h ARG 168 Ca 0.00 0.02 0.10 0.00 -1.26 0.00 0.00 59.98 58.85 2bvj h ARG 168 Cb 0.82 0.08 -0.10 0.00 -1.65 0.00 0.00 29.97 29.12 2bvj h ARG 168 CO 0.00 -0.23 -0.18 0.00 0.56 0.00 0.00 179.97 180.12 2bvj h ALA 169 N 0.09 0.24 -0.65 0.04 0.00 -1.80 0.43 119.26 117.61 2bvj h ALA 169 Ca 0.09 0.19 -0.07 0.00 0.00 0.00 0.00 54.91 55.12 2bvj h ALA 169 Cb 0.59 0.48 -0.03 0.00 0.00 0.00 0.00 17.79 18.83 2bvj h ALA 169 CO -0.61 -0.50 0.12 0.00 0.00 0.00 0.00 179.25 178.25 2bvj h ALA 170 N 1.37 0.86 -0.64 0.00 0.00 -1.66 -0.90 119.26 118.29 2bvj h ALA 170 Ca 0.24 -0.26 0.02 0.00 0.00 0.00 0.00 54.91 54.91 2bvj h ALA 170 Cb 0.43 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.94 2bvj h ALA 170 CO -0.56 0.62 0.41 0.35 0.00 0.00 0.00 179.25 180.06 2bvj h PHE 171 N 0.99 0.76 -0.42 0.00 3.57 0.14 -1.06 116.94 120.92 2bvj h PHE 171 Ca 0.20 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.69 2bvj h PHE 171 Cb 0.42 -0.25 -0.02 0.00 2.79 0.00 0.00 35.95 38.89 2bvj h PHE 171 CO 0.03 0.45 0.14 0.00 -2.23 0.00 0.00 178.31 176.70 2bvj h ARG 172 N 0.81 0.65 -0.63 1.11 3.08 0.16 -1.65 114.38 117.91 2bvj h ARG 172 Ca 0.25 -0.13 0.00 0.00 0.07 0.00 0.00 59.98 60.17 2bvj h ARG 172 Cb -0.02 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 29.91 2bvj h ARG 172 CO -0.09 0.63 0.39 0.28 -1.07 0.00 0.00 179.97 180.11 2bvj h VAL 173 N 0.54 1.18 -0.21 2.04 2.07 -0.66 0.12 116.25 121.32 2bvj h VAL 173 Ca 0.14 -0.36 -0.01 0.00 0.82 0.00 0.00 66.70 67.28 2bvj h VAL 173 Cb 0.24 0.29 -0.01 0.00 -1.52 0.00 0.00 31.29 30.29 2bvj h VAL 173 CO -0.01 0.18 0.08 -0.50 0.02 0.00 0.00 177.57 177.34 2bvj h TRP 174 N 0.85 0.33 -0.56 1.57 6.55 -1.11 -1.53 115.95 122.05 2bvj h TRP 174 Ca 0.23 -0.03 0.05 0.00 0.95 0.00 0.00 58.89 60.09 2bvj h TRP 174 Cb -0.05 -0.10 -0.05 0.00 -0.86 0.00 0.00 29.16 28.10 2bvj h TRP 174 CO -0.02 0.38 0.29 1.15 -1.05 0.00 0.00 178.44 179.19 2bvj h THR 175 N 0.19 0.97 -0.83 1.49 2.02 -0.94 -0.05 112.91 115.75 2bvj h THR 175 Ca 0.07 -0.19 -0.03 0.00 0.77 0.00 0.00 66.41 67.02 2bvj h THR 175 Cb 0.19 0.35 -0.04 0.00 -1.74 0.00 0.00 68.15 66.92 2bvj h THR 175 CO -0.00 0.10 0.39 0.44 0.37 0.00 0.00 175.52 176.82 2bvj h ASP 176 N 0.57 1.10 0.45 4.18 5.19 -0.63 -2.70 116.42 124.57 2bvj h ASP 176 Ca 0.24 -0.14 -0.10 0.00 -0.62 0.00 0.00 57.03 56.42 2bvj h ASP 176 Cb 0.13 -0.28 -0.01 0.00 0.18 0.00 0.00 39.33 39.35 2bvj h ASP 176 CO -0.16 0.93 -0.46 0.00 -3.12 0.00 0.00 179.24 176.43 2bvj h ALA 177 N 1.21 1.23 0.00 3.45 0.00 -0.51 0.35 119.26 124.98 2bvj h ALA 177 Ca 0.28 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2bvj h ALA 177 Cb 0.13 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2bvj h ALA 177 CO -0.03 0.58 0.00 1.97 0.00 0.00 0.00 179.25 181.77 2bvj n PHE 178 N -3.99 0.00 0.00 0.00 -0.00 -0.10 -3.51 117.46 109.85 2bvj n PHE 178 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.43 2bvj n PHE 178 Cb 0.48 -0.03 0.00 0.00 -0.00 0.00 0.00 39.48 39.93 2bvj n PHE 178 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.76 177.04 2bvj n VAL 179 N -0.35 0.00 -3.21 1.97 0.31 -1.00 -4.96 118.33 111.09 2bvj n VAL 179 Ca 0.00 0.00 -0.32 0.00 -0.01 0.00 0.00 64.34 64.01 2bvj n VAL 179 Cb 0.07 -0.34 -0.05 0.00 -0.91 0.00 0.00 33.84 32.62 2bvj n VAL 179 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 2bvj n PHE 180 N -2.28 3.27 -1.58 3.52 3.01 0.12 -5.05 117.46 118.47 2bvj n PHE 180 Ca 0.00 -3.62 -0.52 0.00 1.01 0.00 0.00 57.45 54.32 2bvj n PHE 180 Cb 0.00 -0.77 -0.07 0.00 -0.01 0.00 0.00 39.48 38.63 2bvj n PHE 180 CO 0.00 0.00 0.00 -2.30 1.01 0.00 0.00 176.76 175.47 2bvj n PRO 181 N 0.80 1.34 0.26 -1.08 -0.02 -1.23 -4.62 135.00 130.45 2bvj n PRO 181 Ca 0.30 0.44 0.14 0.00 -2.02 0.00 0.00 63.50 62.36 2bvj n PRO 181 Cb 0.38 -2.40 0.71 0.00 -0.02 0.00 0.00 33.50 32.17 2bvj n PRO 181 CO 0.00 0.00 0.00 0.38 1.98 0.00 0.00 175.50 177.86 2bvj h ASP 182 N 10.18 0.00 -5.25 2.55 2.03 -1.92 -3.46 116.42 120.55 2bvj h ASP 182 Ca -0.37 0.00 0.17 0.00 -0.73 0.00 0.00 57.03 56.10 2bvj h ASP 182 Cb 1.31 0.00 -0.09 0.00 -0.83 0.00 0.00 39.33 39.72 2bvj h ASP 182 CO 0.99 0.11 0.49 1.51 -1.03 0.00 0.00 179.24 181.31 2bvj s ASP 183 N -5.98 -0.20 0.47 4.15 1.47 -1.26 -5.05 116.67 110.27 2bvj s ASP 183 Ca -0.02 -0.35 0.17 0.00 1.18 0.00 0.00 52.55 53.54 2bvj s ASP 183 Cb 0.12 0.47 1.14 0.00 -0.34 0.00 0.00 42.92 44.31 2bvj s ASP 183 CO 0.57 -0.85 2.00 -0.65 0.68 0.00 0.00 175.17 176.92 2bvj h PRO 184 N 2.00 0.26 0.55 2.11 0.11 -2.03 -3.23 132.00 131.77 2bvj h PRO 184 Ca -0.24 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 65.83 2bvj h PRO 184 Cb 1.23 -0.06 0.01 0.00 0.11 0.00 0.00 31.00 32.29 2bvj h PRO 184 CO 0.26 0.17 -0.26 0.00 -0.21 0.00 0.00 178.00 177.96 2bvj h ALA 185 N 1.74 -0.78 -1.03 -0.75 0.00 -1.99 -3.26 119.26 113.19 2bvj h ALA 185 Ca 0.24 -0.16 0.30 0.00 0.00 0.00 0.00 54.91 55.29 2bvj h ALA 185 Cb 0.60 0.28 -0.04 0.00 0.00 0.00 0.00 17.79 18.64 2bvj h ALA 185 CO -0.05 -0.72 0.81 -0.56 0.00 0.00 0.00 179.25 178.73 2bvj h GLN 186 N -1.13 0.00 0.00 0.00 3.07 -1.95 -2.95 115.11 112.15 2bvj h GLN 186 Ca -0.08 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.66 2bvj h GLN 186 Cb 0.56 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.12 2bvj h GLN 186 CO 0.12 0.00 0.00 0.00 0.09 0.00 0.00 178.83 179.04 2bvj n ALA 187 N -2.65 -0.01 -0.17 0.06 0.00 -1.23 -0.91 120.51 115.61 2bvj n ALA 187 Ca 0.22 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.55 2bvj n ALA 187 Cb 1.15 0.22 0.00 0.00 0.00 0.00 0.00 19.45 20.83 2bvj n ALA 187 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.50 176.94 2bvj h GLN 188 N 0.00 0.97 -0.94 0.00 -0.00 -1.74 -2.97 115.11 110.43 2bvj h GLN 188 Ca 0.00 -0.38 0.24 0.00 -0.00 0.00 0.00 58.65 58.51 2bvj h GLN 188 Cb 0.00 -0.05 -0.06 0.00 -0.00 0.00 0.00 27.48 27.37 2bvj h GLN 188 CO 0.00 1.05 0.64 1.79 -0.00 0.00 0.00 178.83 182.31 2bvj h THR 189 N 0.83 0.60 0.09 1.86 1.35 -1.49 -0.16 112.91 115.99 2bvj h THR 189 Ca 0.12 -0.09 -0.24 0.00 -0.55 0.00 0.00 66.41 65.65 2bvj h THR 189 Cb 0.70 0.32 0.02 0.00 -1.73 0.00 0.00 68.15 67.46 2bvj h THR 189 CO 0.05 0.05 -1.00 0.00 -0.25 0.00 0.00 175.52 174.37 2bvj h ALA 190 N 1.58 0.01 -0.73 6.62 0.00 -0.87 -2.99 119.26 122.88 2bvj h ALA 190 Ca 0.48 -0.70 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 2bvj h ALA 190 Cb 1.46 0.09 -0.04 0.00 0.00 0.00 0.00 17.79 19.30 2bvj h ALA 190 CO -0.14 0.55 0.45 0.52 0.00 0.00 0.00 179.25 180.63 2bvj h MET 191 N 0.08 0.99 0.03 0.00 2.86 -1.01 -0.75 114.93 117.14 2bvj h MET 191 Ca -0.15 -0.08 0.00 0.00 -2.06 0.00 0.00 59.70 57.41 2bvj h MET 191 Cb 1.71 -0.21 -0.00 0.00 0.06 0.00 0.00 31.60 33.16 2bvj h MET 191 CO 0.19 0.69 -0.03 0.00 1.06 0.00 0.00 176.91 178.83 2bvj h ALA 192 N 1.24 -0.06 -0.21 6.32 0.00 -1.21 -0.21 119.26 125.14 2bvj h ALA 192 Ca 0.26 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 55.10 2bvj h ALA 192 Cb -0.05 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 2bvj h ALA 192 CO -0.05 -0.54 -0.16 0.93 0.00 0.00 0.00 179.25 179.43 2bvj h GLU 193 N -0.06 0.35 0.28 0.00 5.08 -1.35 0.21 114.58 119.09 2bvj h GLU 193 Ca -0.00 -0.10 -0.01 0.00 -1.00 0.00 0.00 59.36 58.25 2bvj h GLU 193 Cb 0.06 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.27 2bvj h GLU 193 CO -0.00 0.51 -0.14 1.98 -1.00 0.00 0.00 179.01 180.37 2bvj h MET 194 N 0.32 -0.37 -0.52 2.33 4.05 -0.85 0.17 114.93 120.07 2bvj h MET 194 Ca 0.06 0.02 0.05 0.00 -0.28 0.00 0.00 59.70 59.55 2bvj h MET 194 Cb 0.49 0.08 -0.05 0.00 -0.80 0.00 0.00 31.60 31.32 2bvj h MET 194 CO 0.03 -0.05 0.26 1.03 0.23 0.00 0.00 176.91 178.41 2bvj h SER 195 N -0.71 0.36 -0.78 1.39 0.87 -0.85 0.23 113.55 114.06 2bvj h SER 195 Ca -0.04 0.03 -0.01 0.00 -1.23 0.00 0.00 61.79 60.54 2bvj h SER 195 Cb 0.49 -0.04 -0.04 0.00 -0.44 0.00 0.00 62.40 62.37 2bvj h SER 195 CO 0.06 0.25 0.45 1.23 -0.53 0.00 0.00 176.83 178.30 2bvj h GLY 196 N 0.50 1.14 0.87 5.77 0.00 -0.54 -0.91 103.07 109.90 2bvj h GLY 196 Ca 0.23 -0.49 -0.04 0.00 0.00 0.00 0.00 47.33 47.03 2bvj h GLY 196 CO -0.17 0.47 0.01 -1.82 0.00 0.00 0.00 176.54 175.03 2bvj h TYR 197 N 1.07 0.52 -0.81 5.60 3.20 0.26 -2.59 116.97 124.22 2bvj h TYR 197 Ca 0.28 -0.09 0.03 0.00 3.14 0.00 0.00 58.73 62.08 2bvj h TYR 197 Cb -0.01 -0.14 -0.05 0.00 1.54 0.00 0.00 36.73 38.07 2bvj h TYR 197 CO -0.00 0.63 0.52 -0.07 -1.64 0.00 0.00 178.16 177.60 2bvj h LEU 198 N 0.27 0.88 -0.29 2.82 3.38 -0.31 0.62 115.31 122.69 2bvj h LEU 198 Ca 0.08 -0.01 0.05 0.00 0.09 0.00 0.00 57.88 58.09 2bvj h LEU 198 Cb 0.41 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 40.91 2bvj h LEU 198 CO 0.01 0.61 -0.04 0.28 0.09 0.00 0.00 178.44 179.40 2bvj h SER 199 N 1.04 -0.20 -0.30 -0.43 0.02 -1.02 0.30 113.55 112.96 2bvj h SER 199 Ca 0.32 0.08 -0.14 0.00 -0.84 0.00 0.00 61.79 61.20 2bvj h SER 199 Cb -0.03 0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.65 2bvj h SER 199 CO -0.10 -0.06 -0.34 0.03 -1.14 0.00 0.00 176.83 175.21 2bvj h ARG 200 N 0.04 0.83 -0.61 3.45 3.08 -0.96 -1.96 114.38 118.25 2bvj h ARG 200 Ca 0.14 -0.41 -0.00 0.00 0.07 0.00 0.00 59.98 59.78 2bvj h ARG 200 Cb 0.20 -0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.22 2bvj h ARG 200 CO -0.26 1.04 0.38 1.25 -1.07 0.00 0.00 179.97 181.31 2bvj h LEU 201 N 0.69 0.73 0.19 3.04 5.85 0.82 0.28 115.31 126.90 2bvj h LEU 201 Ca 0.07 -0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.73 2bvj h LEU 201 Cb 0.90 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.75 2bvj h LEU 201 CO 0.08 0.56 -0.09 0.40 -0.34 0.00 0.00 178.44 179.05 2bvj h ILE 202 N 0.83 0.82 -0.77 4.05 2.04 -0.27 -2.87 117.51 121.33 2bvj h ILE 202 Ca 0.22 -0.02 0.05 0.00 1.00 0.00 0.00 64.86 66.10 2bvj h ILE 202 Cb -0.04 0.84 -0.05 0.00 -0.74 0.00 0.00 36.82 36.82 2bvj h ILE 202 CO -0.04 0.01 0.48 0.44 0.00 0.00 0.00 178.15 179.03 2bvj h ASP 203 N -0.26 0.76 -0.01 1.72 3.32 -1.01 0.08 116.42 121.01 2bvj h ASP 203 Ca -0.03 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.04 2bvj h ASP 203 Cb 0.20 -0.15 -0.00 0.00 0.22 0.00 0.00 39.33 39.60 2bvj h ASP 203 CO 0.04 0.51 0.15 0.77 -1.72 0.00 0.00 179.24 178.99 2bvj h SER 204 N 0.90 0.00 0.64 6.45 4.64 -0.74 -0.19 113.55 125.25 2bvj h SER 204 Ca 0.33 0.00 -0.27 0.00 -0.47 0.00 0.00 61.79 61.37 2bvj h SER 204 Cb 0.10 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.16 2bvj h SER 204 CO -0.14 0.00 -1.41 0.11 -0.87 0.00 0.00 176.83 174.51 2bvj h LYS 205 N 0.00 0.09 -6.11 4.77 1.79 -0.79 -3.46 116.57 112.86 2bvj h LYS 205 Ca 0.01 -0.16 -0.71 0.00 -2.18 0.00 0.00 60.65 57.61 2bvj h LYS 205 Cb 0.30 0.06 0.00 0.00 -1.58 0.00 0.00 32.23 31.01 2bvj h LYS 205 CO -0.00 0.89 1.10 0.54 -1.08 0.00 0.00 179.45 180.90 2bvj n ARG 206 N -3.30 1.19 -2.16 3.15 1.74 -0.08 -3.08 116.66 114.11 2bvj n ARG 206 Ca -0.11 0.40 -0.02 0.00 -0.77 0.00 0.00 57.85 57.36 2bvj n ARG 206 Cb 1.01 -2.24 -0.01 0.00 -1.02 0.00 0.00 32.46 30.20 2bvj n ARG 206 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2bvj n GLY 207 N 5.11 -3.97 0.00 -0.13 0.00 -1.26 -5.06 105.19 99.89 2bvj n GLY 207 Ca 0.32 0.49 0.00 0.00 0.00 0.00 0.00 46.02 46.83 2bvj n GLY 207 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bvj n GLN 208 N 0.66 0.00 -1.07 1.61 0.00 -1.18 -5.03 117.38 112.38 2bvj n GLN 208 Ca -0.11 0.00 -0.14 0.00 0.00 0.00 0.00 57.00 56.74 2bvj n GLN 208 Cb 0.17 0.00 0.23 0.00 0.00 0.00 0.00 30.24 30.64 2bvj n GLN 208 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.06 176.81 2bvj n ASP 209 N 0.00 4.20 -4.69 2.61 9.92 -1.26 -5.00 116.55 122.33 2bvj n ASP 209 Ca 0.00 -3.33 -0.44 0.00 -0.53 0.00 0.00 54.79 50.49 2bvj n ASP 209 Cb 0.00 -0.78 -0.03 0.00 -0.64 0.00 0.00 41.12 39.67 2bvj n ASP 209 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2bvj n GLY 210 N -0.59 1.04 0.36 0.44 0.00 -1.26 -4.90 105.19 100.28 2bvj n GLY 210 Ca 0.48 0.53 0.13 0.00 0.00 0.00 0.00 46.02 47.16 2bvj n GLY 210 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2bvj n GLU 211 N 2.49 1.14 -1.48 1.61 1.02 -1.26 -4.59 120.64 119.58 2bvj n GLU 211 Ca 0.12 -0.72 -0.29 0.00 -0.02 0.00 0.00 57.16 56.25 2bvj n GLU 211 Cb 0.32 -1.49 0.13 0.00 -0.02 0.00 0.00 31.44 30.38 2bvj n GLU 211 CO 0.00 0.00 0.00 0.16 1.18 0.00 0.00 177.13 178.47 2bvj s ASP 212 N -2.35 3.72 0.29 1.62 -4.77 -1.26 -4.91 116.67 109.00 2bvj s ASP 212 Ca 0.27 1.13 0.05 0.00 -3.30 0.00 0.00 52.55 50.70 2bvj s ASP 212 Cb 0.20 -1.77 0.43 0.00 -1.09 0.00 0.00 42.92 40.69 2bvj s ASP 212 CO 0.47 -2.44 1.70 0.25 0.70 0.00 0.00 175.17 175.85 2bvj h LEU 213 N -1.42 0.32 -0.49 2.11 5.85 -1.28 -2.54 115.31 117.86 2bvj h LEU 213 Ca -0.50 -0.13 -0.05 0.00 0.84 0.00 0.00 57.88 58.05 2bvj h LEU 213 Cb 1.31 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 42.23 2bvj h LEU 213 CO 0.60 0.68 0.13 0.25 -0.34 0.00 0.00 178.44 179.76 2bvj h LEU 214 N 0.26 0.73 -0.70 2.25 5.85 -1.79 -0.82 115.31 121.09 2bvj h LEU 214 Ca 0.03 -0.23 -0.08 0.00 0.84 0.00 0.00 57.88 58.44 2bvj h LEU 214 Cb 0.80 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.61 2bvj h LEU 214 CO 0.06 0.77 0.11 0.28 -0.34 0.00 0.00 178.44 179.32 2bvj h SER 215 N 0.66 1.06 -0.75 1.25 0.02 -1.84 -2.33 113.55 111.62 2bvj h SER 215 Ca 0.15 -0.25 -0.05 0.00 -0.84 0.00 0.00 61.79 60.81 2bvj h SER 215 Cb 0.31 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 62.54 2bvj h SER 215 CO 0.00 1.05 0.29 0.00 -1.14 0.00 0.00 176.83 177.03 2bvj h ALA 216 N 1.07 1.09 -0.06 3.77 0.00 -1.09 -2.32 119.26 121.72 2bvj h ALA 216 Ca 0.20 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 2bvj h ALA 216 Cb 0.44 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 2bvj h ALA 216 CO 0.01 0.65 -0.32 -0.07 0.00 0.00 0.00 179.25 179.51 2bvj h LEU 217 N 1.10 0.12 -0.52 0.00 3.38 -0.89 0.64 115.31 119.14 2bvj h LEU 217 Ca 0.25 -0.04 -0.07 0.00 0.09 0.00 0.00 57.88 58.12 2bvj h LEU 217 Cb 0.22 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 2bvj h LEU 217 CO -0.02 0.44 0.07 0.58 0.09 0.00 0.00 178.44 179.60 2bvj h VAL 218 N 0.10 1.25 0.04 1.22 2.07 -0.89 -3.29 116.25 116.77 2bvj h VAL 218 Ca 0.01 -0.97 -0.27 0.00 0.82 0.00 0.00 66.70 66.29 2bvj h VAL 218 Cb 0.63 0.88 -0.03 0.00 -1.52 0.00 0.00 31.29 31.25 2bvj h VAL 218 CO 0.05 0.35 -1.41 0.03 0.02 0.00 0.00 177.57 176.61 2bvj h ARG 219 N 0.74 0.09 -7.01 1.57 3.08 -1.19 -3.47 114.38 108.20 2bvj h ARG 219 Ca 0.15 -0.16 -0.54 0.00 0.07 0.00 0.00 59.98 59.51 2bvj h ARG 219 Cb 0.42 0.06 0.19 0.00 0.08 0.00 0.00 29.97 30.72 2bvj h ARG 219 CO 0.01 0.89 0.01 -2.37 -1.07 0.00 0.00 179.97 177.45 2bvj n THR 220 N -3.30 1.54 -3.67 2.04 5.66 0.19 -5.07 114.28 111.68 2bvj n THR 220 Ca -0.11 -0.24 -0.15 0.00 -3.05 0.00 0.00 64.05 60.50 2bvj n THR 220 Cb 1.01 -0.99 -0.08 0.00 -1.55 0.00 0.00 70.33 68.72 2bvj n THR 220 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 2bvj s SER 221 N -1.98 -0.46 0.53 1.09 1.04 -1.26 -4.53 113.70 108.14 2bvj s SER 221 Ca 0.68 0.62 0.00 0.00 0.48 0.00 0.00 55.95 57.74 2bvj s SER 221 Cb -0.29 0.65 0.00 0.00 0.10 0.00 0.00 66.02 66.49 2bvj s SER 221 CO 0.56 -0.39 0.00 -0.90 0.98 0.00 0.00 173.24 173.48 2bvj n ASP 222 N 1.74 0.00 0.30 7.02 5.68 -0.84 -4.86 116.55 125.59 2bvj n ASP 222 Ca -0.18 -0.76 0.19 0.00 -0.50 0.00 0.00 54.79 53.54 2bvj n ASP 222 Cb 0.56 0.00 0.95 0.00 -1.14 0.00 0.00 41.12 41.49 2bvj n ASP 222 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 2bvj h GLU 223 N 0.00 0.00 -0.27 0.11 -0.00 -1.98 -0.87 114.58 111.57 2bvj h GLU 223 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.36 2bvj h GLU 223 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 28.75 2bvj h GLU 223 CO 0.00 0.02 0.00 -0.25 -0.00 0.00 0.00 179.01 178.78 2bvj n ASP 224 N -3.22 2.65 -0.17 3.06 8.00 -1.26 -4.91 116.55 120.69 2bvj n ASP 224 Ca -0.02 -1.87 -0.02 0.00 0.71 0.00 0.00 54.79 53.59 2bvj n ASP 224 Cb 0.18 -0.17 -0.01 0.00 -0.02 0.00 0.00 41.12 41.09 2bvj n ASP 224 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2bvj n GLY 225 N 1.33 0.54 3.82 0.44 0.00 -0.33 -5.00 105.19 105.99 2bvj n GLY 225 Ca 0.18 -0.29 -0.33 0.00 0.00 0.00 0.00 46.02 45.58 2bvj n GLY 225 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2bvj s SER 226 N -2.34 6.53 0.11 1.61 0.15 -1.26 -4.75 113.70 113.74 2bvj s SER 226 Ca 0.00 1.75 0.04 0.00 0.70 0.00 0.00 55.95 58.44 2bvj s SER 226 Cb 0.00 -2.54 -0.04 0.00 -1.71 0.00 0.00 66.02 61.73 2bvj s SER 226 CO 0.00 -0.65 -0.11 -0.13 1.20 0.00 0.00 173.24 173.55 2bvj s ARG 227 N -3.53 0.92 0.14 5.44 0.52 -1.26 -1.99 118.95 119.19 2bvj s ARG 227 Ca 0.63 -1.24 -0.30 0.00 -0.52 0.00 0.00 55.73 54.30 2bvj s ARG 227 Cb -0.12 -0.62 -0.07 0.00 0.52 0.00 0.00 34.95 34.66 2bvj s ARG 227 CO 0.23 0.10 1.16 -0.51 0.02 0.00 0.00 175.30 176.29 2bvj s LEU 228 N -2.60 4.44 0.97 2.53 1.43 -1.26 -5.04 118.68 119.15 2bvj s LEU 228 Ca 0.08 2.10 -0.16 0.00 -1.03 0.00 0.00 54.13 55.13 2bvj s LEU 228 Cb -0.02 -3.60 0.19 0.00 0.03 0.00 0.00 46.19 42.79 2bvj s LEU 228 CO 0.01 -0.34 1.25 0.42 0.23 0.00 0.00 176.35 177.92 2bvj s THR 229 N 0.22 1.94 0.19 5.49 -4.23 -1.26 -4.80 115.64 113.20 2bvj s THR 229 Ca 0.53 0.00 -0.09 0.00 -1.18 0.00 0.00 61.69 60.96 2bvj s THR 229 Cb -0.30 -2.90 0.10 0.00 1.34 0.00 0.00 72.50 70.74 2bvj s THR 229 CO 0.34 0.00 1.70 0.28 -0.54 0.00 0.00 174.62 176.39 2bvj h SER 230 N -1.70 1.08 -0.28 3.99 0.02 -1.99 -0.65 113.55 114.02 2bvj h SER 230 Ca -0.45 -0.25 -0.09 0.00 -0.84 0.00 0.00 61.79 60.15 2bvj h SER 230 Cb 1.26 -0.29 -0.02 0.00 0.14 0.00 0.00 62.40 63.50 2bvj h SER 230 CO 0.43 1.06 -0.14 -0.33 -1.14 0.00 0.00 176.83 176.71 2bvj h GLU 231 N 1.06 0.72 -0.14 3.45 3.07 -2.00 -1.72 114.58 119.02 2bvj h GLU 231 Ca 0.21 -0.25 -0.19 0.00 -0.50 0.00 0.00 59.36 58.63 2bvj h GLU 231 Cb 0.43 -0.06 0.00 0.00 -0.84 0.00 0.00 28.75 28.28 2bvj h GLU 231 CO 0.01 0.83 -0.69 0.93 -1.40 0.00 0.00 179.01 178.69 2bvj h GLU 232 N 0.65 0.60 -0.62 2.33 5.08 -1.86 -1.86 114.58 118.89 2bvj h GLU 232 Ca 0.11 -0.46 -0.05 0.00 -1.00 0.00 0.00 59.36 57.96 2bvj h GLU 232 Cb 0.61 0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.92 2bvj h GLU 232 CO 0.04 1.08 0.19 -0.07 -1.00 0.00 0.00 179.01 179.25 2bvj h LEU 233 N 0.43 0.91 -0.17 1.33 3.38 -0.93 0.67 115.31 120.93 2bvj h LEU 233 Ca -0.03 -0.21 -0.02 0.00 0.09 0.00 0.00 57.88 57.72 2bvj h LEU 233 Cb 1.28 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.78 2bvj h LEU 233 CO 0.13 0.88 0.03 0.25 0.09 0.00 0.00 178.44 179.82 2bvj h LEU 234 N 0.89 0.27 -0.89 1.67 5.85 -1.29 -1.02 115.31 120.79 2bvj h LEU 234 Ca 0.20 -0.25 0.09 0.00 0.84 0.00 0.00 57.88 58.76 2bvj h LEU 234 Cb 0.30 -0.07 -0.07 0.00 0.37 0.00 0.00 40.66 41.18 2bvj h LEU 234 CO -0.01 0.45 0.54 1.23 -0.34 0.00 0.00 178.44 180.31 2bvj h GLY 235 N 0.07 1.39 0.98 3.75 0.00 -1.06 -0.33 103.07 107.87 2bvj h GLY 235 Ca 0.05 -0.37 -0.08 0.00 0.00 0.00 0.00 47.33 46.93 2bvj h GLY 235 CO 0.00 0.19 -0.03 -0.33 0.00 0.00 0.00 176.54 176.37 2bvj h MET 236 N 0.92 0.80 -0.16 4.80 2.86 -0.64 -1.16 114.93 122.34 2bvj h MET 236 Ca 0.42 -0.27 0.01 0.00 -2.06 0.00 0.00 59.70 57.80 2bvj h MET 236 Cb 0.33 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.91 2bvj h MET 236 CO -0.23 0.88 0.06 0.00 1.06 0.00 0.00 176.91 178.68 2bvj h ALA 237 N 0.89 0.18 -0.34 6.32 0.00 -0.35 -1.70 119.26 124.26 2bvj h ALA 237 Ca 0.12 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2bvj h ALA 237 Cb 0.53 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 2bvj h ALA 237 CO 0.03 -0.37 0.22 0.45 0.00 0.00 0.00 179.25 179.57 2bvj h HIS 238 N 0.15 0.44 -0.55 0.00 3.86 -0.97 -1.85 115.15 116.22 2bvj h HIS 238 Ca 0.07 0.01 -0.05 0.00 -1.16 0.00 0.00 60.37 59.23 2bvj h HIS 238 Cb 0.03 -0.15 -0.02 0.00 1.06 0.00 0.00 27.41 28.33 2bvj h HIS 238 CO -0.10 0.29 0.15 0.97 0.86 0.00 0.00 177.93 180.10 2bvj h ILE 239 N 0.45 1.24 -0.87 2.45 6.09 -1.07 0.18 117.51 125.99 2bvj h ILE 239 Ca 0.12 -0.85 -0.02 0.00 -1.37 0.00 0.00 64.86 62.74 2bvj h ILE 239 Cb -0.03 0.74 -0.04 0.00 0.47 0.00 0.00 36.82 37.96 2bvj h ILE 239 CO -0.03 0.31 0.46 -0.07 -3.07 0.00 0.00 178.15 175.75 2bvj h LEU 240 N 0.78 1.10 0.72 2.19 3.38 -1.22 0.25 115.31 122.51 2bvj h LEU 240 Ca 0.18 -0.11 -0.04 0.00 0.09 0.00 0.00 57.88 58.00 2bvj h LEU 240 Cb 0.32 -0.28 0.01 0.00 0.09 0.00 0.00 40.66 40.80 2bvj h LEU 240 CO -0.00 0.90 -0.35 0.25 0.09 0.00 0.00 178.44 179.33 2bvj h LEU 241 N 1.22 -0.82 -0.23 1.67 5.85 -0.93 -1.51 115.31 120.56 2bvj h LEU 241 Ca 0.30 0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.98 2bvj h LEU 241 Cb 0.06 0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.29 2bvj h LEU 241 CO -0.05 -0.53 -0.07 0.58 -0.34 0.00 0.00 178.44 178.04 2bvj h VAL 242 N -1.07 1.29 0.00 1.05 2.07 -0.86 -2.93 116.25 115.80 2bvj h VAL 242 Ca -0.10 -1.08 -0.06 0.00 0.82 0.00 0.00 66.70 66.28 2bvj h VAL 242 Cb 0.76 1.53 -0.01 0.00 -1.52 0.00 0.00 31.29 32.06 2bvj h VAL 242 CO 0.16 0.33 -0.28 0.00 0.02 0.00 0.00 177.57 177.80 2bvj h ALA 243 N 0.74 1.06 -0.01 1.67 0.00 -0.60 -3.25 119.26 118.86 2bvj h ALA 243 Ca 0.06 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.71 2bvj h ALA 243 Cb 0.53 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.28 2bvj h ALA 243 CO 0.02 0.35 -0.38 0.41 0.00 0.00 0.00 179.25 179.66 2bvj n GLY 244 N 0.06 -0.31 0.00 0.00 0.00 -0.57 -4.50 105.19 99.87 2bvj n GLY 244 Ca -0.00 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.49 2bvj n GLY 244 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2bvj n HIS 245 N -0.37 0.00 -0.20 1.61 -0.00 -1.11 -4.31 115.22 110.83 2bvj n HIS 245 Ca 0.11 0.00 -0.02 0.00 -0.00 0.00 0.00 57.72 57.81 2bvj n HIS 245 Cb 0.41 0.00 0.05 0.00 -0.00 0.00 0.00 29.99 30.45 2bvj n HIS 245 CO 0.00 0.00 0.00 1.49 -0.00 0.00 0.00 176.34 177.83 2bvj h GLU 246 N 0.00 -0.03 -0.56 1.57 4.81 -1.86 -0.02 114.58 118.48 2bvj h GLU 246 Ca 0.00 0.00 0.06 0.00 -0.13 0.00 0.00 59.36 59.29 2bvj h GLU 246 Cb 0.00 0.01 -0.05 0.00 0.63 0.00 0.00 28.75 29.33 2bvj h GLU 246 CO 0.00 -0.02 0.27 1.79 -0.73 0.00 0.00 179.01 180.32 2bvj h THR 247 N -0.03 0.92 -0.63 0.32 1.35 -1.84 -0.66 112.91 112.33 2bvj h THR 247 Ca 0.28 -0.18 -0.05 0.00 -0.55 0.00 0.00 66.41 65.91 2bvj h THR 247 Cb 0.47 0.36 -0.03 0.00 -1.73 0.00 0.00 68.15 67.22 2bvj h THR 247 CO -0.64 0.09 0.18 0.74 -0.25 0.00 0.00 175.52 175.65 2bvj h THR 248 N 0.52 1.25 -0.22 6.82 2.02 -1.51 -1.93 112.91 119.85 2bvj h THR 248 Ca 0.26 -0.87 0.05 0.00 0.77 0.00 0.00 66.41 66.62 2bvj h THR 248 Cb 0.20 0.62 -0.05 0.00 -1.74 0.00 0.00 68.15 67.18 2bvj h THR 248 CO -0.20 0.33 -0.12 0.58 0.37 0.00 0.00 175.52 176.48 2bvj h VAL 249 N 0.91 0.63 0.00 3.16 2.07 -0.20 -2.35 116.25 120.47 2bvj h VAL 249 Ca 0.20 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.67 2bvj h VAL 249 Cb 0.32 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 30.71 2bvj h VAL 249 CO -0.00 0.00 -0.22 0.78 0.02 0.00 0.00 177.57 178.14 2bvj h ASN 250 N -0.10 0.00 -0.11 0.57 2.35 -0.85 -2.20 115.58 115.24 2bvj h ASN 250 Ca 0.12 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.84 2bvj h ASN 250 Cb 0.29 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.65 2bvj h ASN 250 CO -0.29 0.22 -0.06 0.25 -1.65 0.00 0.00 177.43 175.91 2bvj h LEU 251 N 0.00 0.24 -0.73 1.61 5.85 -0.84 0.17 115.31 121.61 2bvj h LEU 251 Ca -0.00 -0.42 -0.01 0.00 0.84 0.00 0.00 57.88 58.29 2bvj h LEU 251 Cb 0.53 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.46 2bvj h LEU 251 CO 0.03 0.61 0.42 0.40 -0.34 0.00 0.00 178.44 179.56 2bvj h ILE 252 N -0.12 1.21 0.12 4.05 2.04 -1.30 0.36 117.51 123.87 2bvj h ILE 252 Ca 0.02 -0.50 -0.01 0.00 1.00 0.00 0.00 64.86 65.38 2bvj h ILE 252 Cb 0.52 0.23 0.00 0.00 -0.74 0.00 0.00 36.82 36.82 2bvj h ILE 252 CO 0.02 0.23 -0.06 0.00 0.00 0.00 0.00 178.15 178.34 2bvj h ALA 253 N 1.22 -0.16 -0.86 1.87 0.00 -1.39 -1.73 119.26 118.21 2bvj h ALA 253 Ca 0.26 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 2bvj h ALA 253 Cb -0.00 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 2bvj h ALA 253 CO -0.05 -0.33 0.51 -0.91 0.00 0.00 0.00 179.25 178.47 2bvj h ASN 254 N -0.68 1.04 -0.28 0.00 2.35 -0.92 -1.21 115.58 115.87 2bvj h ASN 254 Ca -0.02 -0.07 -0.03 0.00 -0.55 0.00 0.00 56.30 55.64 2bvj h ASN 254 Cb 0.52 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.61 2bvj h ASN 254 CO 0.03 0.81 0.06 1.23 -1.65 0.00 0.00 177.43 177.90 2bvj h GLY 255 N 1.20 0.50 1.84 2.83 0.00 -0.29 -0.41 103.07 108.74 2bvj h GLY 255 Ca 0.31 -0.32 -0.10 0.00 0.00 0.00 0.00 47.33 47.21 2bvj h GLY 255 CO -0.06 0.30 -0.41 -0.33 0.00 0.00 0.00 176.54 176.04 2bvj h MET 256 N 0.29 0.18 -0.41 4.80 2.86 -1.12 -0.46 114.93 121.07 2bvj h MET 256 Ca 0.09 -0.08 -0.06 0.00 -2.06 0.00 0.00 59.70 57.58 2bvj h MET 256 Cb 0.32 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.96 2bvj h MET 256 CO 0.00 0.57 0.00 -0.92 1.06 0.00 0.00 176.91 177.63 2bvj h TYR 257 N 0.15 0.78 0.00 -0.22 3.20 -1.05 0.14 116.97 119.98 2bvj h TYR 257 Ca 0.01 -0.13 -0.00 0.00 3.14 0.00 0.00 58.73 61.75 2bvj h TYR 257 Cb 0.80 -0.20 0.00 0.00 1.54 0.00 0.00 36.73 38.86 2bvj h TYR 257 CO 0.01 0.79 -0.00 0.00 -1.64 0.00 0.00 178.16 177.32 2bvj h ALA 258 N 0.89 -0.01 -0.40 1.82 0.00 -0.66 -1.58 119.26 119.32 2bvj h ALA 258 Ca 0.12 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 2bvj h ALA 258 Cb 0.47 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 2bvj h ALA 258 CO 0.02 -0.47 0.24 1.25 0.00 0.00 0.00 179.25 180.29 2bvj h LEU 259 N -0.06 0.49 -0.29 0.00 5.85 -0.95 -2.80 115.31 117.55 2bvj h LEU 259 Ca -0.00 -0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.66 2bvj h LEU 259 Cb 0.06 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 40.97 2bvj h LEU 259 CO 0.00 0.40 0.00 0.18 -0.34 0.00 0.00 178.44 178.68 2bvj n LEU 260 N -4.76 0.47 -0.88 2.25 4.77 0.47 -2.86 117.00 116.45 2bvj n LEU 260 Ca 0.00 0.59 0.09 0.00 -0.03 0.00 0.00 56.01 56.67 2bvj n LEU 260 Cb 0.05 -0.49 0.15 0.00 -2.33 0.00 0.00 43.42 40.81 2bvj n LEU 260 CO 0.35 -0.33 0.62 -1.54 -1.33 0.00 0.00 177.39 175.16 2bvj n SER 261 N -1.99 2.97 -3.54 -1.43 3.41 -0.61 -4.57 113.62 107.86 2bvj n SER 261 Ca 0.04 -1.87 -0.27 0.00 -0.26 0.00 0.00 58.87 56.51 2bvj n SER 261 Cb 0.28 -0.16 -0.10 0.00 -0.26 0.00 0.00 64.21 63.98 2bvj n SER 261 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 2bvj n HIS 262 N 1.12 1.34 -0.33 7.33 8.25 -1.10 -5.01 115.22 126.83 2bvj n HIS 262 Ca 0.14 -3.83 0.24 0.00 -0.26 0.00 0.00 57.72 54.01 2bvj n HIS 262 Cb 0.50 -0.27 0.47 0.00 1.12 0.00 0.00 29.99 31.81 2bvj n HIS 262 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 2bvj h PRO 263 N 5.04 0.23 -0.55 -0.41 0.13 -1.82 -0.19 132.00 134.44 2bvj h PRO 263 Ca 0.19 -0.01 -0.07 0.00 -0.87 0.00 0.00 66.00 65.23 2bvj h PRO 263 Cb 0.81 -0.05 -0.02 0.00 0.13 0.00 0.00 31.00 31.87 2bvj h PRO 263 CO 0.58 0.15 0.06 -0.44 -0.23 0.00 0.00 178.00 178.12 2bvj h ASP 264 N 0.23 0.85 -0.28 1.44 3.32 -1.95 -0.72 116.42 119.31 2bvj h ASP 264 Ca 0.73 -0.19 -0.17 0.00 0.02 0.00 0.00 57.03 57.42 2bvj h ASP 264 Cb 1.70 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 41.03 2bvj h ASP 264 CO -0.66 0.87 -0.50 1.56 -1.72 0.00 0.00 179.24 178.80 2bvj h GLN 265 N 0.84 0.83 -0.52 3.56 1.08 -1.38 -1.40 115.11 118.12 2bvj h GLN 265 Ca 0.17 -0.52 0.01 0.00 -1.45 0.00 0.00 58.65 56.86 2bvj h GLN 265 Cb 0.41 0.06 -0.03 0.00 -0.05 0.00 0.00 27.48 27.87 2bvj h GLN 265 CO 0.01 1.15 0.34 1.25 -0.95 0.00 0.00 178.83 180.63 2bvj h LEU 266 N 0.60 0.59 -0.46 1.46 5.85 -1.15 -1.38 115.31 120.80 2bvj h LEU 266 Ca 0.02 -0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.68 2bvj h LEU 266 Cb 1.10 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.97 2bvj h LEU 266 CO 0.11 0.42 0.11 0.00 -0.34 0.00 0.00 178.44 178.74 2bvj h ALA 267 N 1.20 0.61 -0.61 1.25 0.00 -1.08 -1.06 119.26 119.57 2bvj h ALA 267 Ca 0.19 -0.21 0.05 0.00 0.00 0.00 0.00 54.91 54.95 2bvj h ALA 267 Cb -0.07 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 17.49 2bvj h ALA 267 CO -0.05 0.30 0.33 0.00 0.00 0.00 0.00 179.25 179.84 2bvj h ALA 268 N 0.97 0.80 -0.38 0.00 0.00 -0.90 -0.46 119.26 119.28 2bvj h ALA 268 Ca 0.14 0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.96 2bvj h ALA 268 Cb 0.33 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 2bvj h ALA 268 CO 0.00 0.01 -0.17 1.25 0.00 0.00 0.00 179.25 180.33 2bvj h LEU 269 N 0.62 0.81 -1.56 0.00 5.85 -1.05 -1.63 115.31 118.36 2bvj h LEU 269 Ca 0.27 -0.40 -0.01 0.00 0.84 0.00 0.00 57.88 58.58 2bvj h LEU 269 Cb 0.15 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 40.94 2bvj h LEU 269 CO -0.17 1.03 0.16 0.03 -0.34 0.00 0.00 178.44 179.16 2bvj h ARG 270 N 0.59 0.45 0.01 1.25 3.08 -0.75 -2.26 114.38 116.75 2bvj h ARG 270 Ca 0.09 -0.04 -0.23 0.00 0.07 0.00 0.00 59.98 59.86 2bvj h ARG 270 Cb 0.72 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.68 2bvj h ARG 270 CO 0.05 0.35 -0.96 0.00 -1.07 0.00 0.00 179.97 178.35 2bvj h ALA 271 N 1.72 0.34 -2.79 0.04 0.00 -0.90 -3.41 119.26 114.27 2bvj h ALA 271 Ca 0.12 -0.72 -0.59 0.00 0.00 0.00 0.00 54.91 53.72 2bvj h ALA 271 Cb 0.05 -0.01 -0.40 0.00 0.00 0.00 0.00 17.79 17.43 2bvj h ALA 271 CO -0.02 0.81 -0.80 0.34 0.00 0.00 0.00 179.25 179.59 2bvj s ASP 272 N -7.10 3.33 0.00 0.00 2.15 -0.63 -4.98 116.67 109.44 2bvj s ASP 272 Ca -0.06 -2.24 0.12 0.00 0.43 0.00 0.00 52.55 50.81 2bvj s ASP 272 Cb 0.09 -0.66 0.57 0.00 -0.30 0.00 0.00 42.92 42.62 2bvj s ASP 272 CO 0.87 -0.31 1.37 0.80 -0.17 0.00 0.00 175.17 177.73 2bvj n MET 273 N 4.01 0.07 0.04 4.34 0.00 -0.97 -1.73 117.12 122.88 2bvj n MET 273 Ca 0.08 0.24 0.09 0.00 -0.00 0.00 0.00 57.70 58.12 2bvj n MET 273 Cb 0.37 -1.50 0.39 0.00 0.00 0.00 0.00 33.22 32.48 2bvj n MET 273 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 175.97 176.22 2bvj n THR 274 N -1.42 0.87 1.53 1.12 -2.24 -1.26 -1.48 114.28 111.39 2bvj n THR 274 Ca 0.04 0.21 0.15 0.00 -2.27 0.00 0.00 64.05 62.18 2bvj n THR 274 Cb 0.13 -1.00 0.72 0.00 -2.10 0.00 0.00 70.33 68.08 2bvj n THR 274 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2bvj n LEU 275 N -1.75 0.26 0.06 3.22 4.77 -0.70 -4.34 117.00 118.51 2bvj n LEU 275 Ca 0.03 0.09 -0.16 0.00 -0.03 0.00 0.00 56.01 55.94 2bvj n LEU 275 Cb 0.21 -0.18 -0.10 0.00 -2.33 0.00 0.00 43.42 41.02 2bvj n LEU 275 CO 0.17 0.05 0.51 0.25 -1.33 0.00 0.00 177.39 177.04 2bvj h LEU 276 N 0.33 -1.62 -0.94 2.23 5.85 -1.47 0.04 115.31 119.73 2bvj h LEU 276 Ca 0.00 0.18 0.15 0.00 0.84 0.00 0.00 57.88 59.05 2bvj h LEU 276 Cb 0.27 0.61 -0.09 0.00 0.37 0.00 0.00 40.66 41.82 2bvj h LEU 276 CO 0.00 -0.51 0.55 0.44 -0.34 0.00 0.00 178.44 178.58 2bvj h ASP 277 N -0.66 0.74 -0.06 1.25 3.32 -1.83 0.14 116.42 119.31 2bvj h ASP 277 Ca 0.01 0.08 -0.10 0.00 0.02 0.00 0.00 57.03 57.03 2bvj h ASP 277 Cb 0.71 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 40.19 2bvj h ASP 277 CO -0.35 0.33 -0.28 1.23 -1.72 0.00 0.00 179.24 178.45 2bvj h GLY 278 N 0.79 0.55 0.99 2.75 0.00 -1.72 -2.22 103.07 104.21 2bvj h GLY 278 Ca 0.51 -0.47 -0.03 0.00 0.00 0.00 0.00 47.33 47.34 2bvj h GLY 278 CO -0.33 0.43 0.26 0.00 0.00 0.00 0.00 176.54 176.90 2bvj h ALA 279 N 1.26 0.75 -0.53 3.60 0.00 0.12 -1.53 119.26 122.92 2bvj h ALA 279 Ca 0.06 -0.14 -0.08 0.00 0.00 0.00 0.00 54.91 54.75 2bvj h ALA 279 Cb 0.72 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 2bvj h ALA 279 CO 0.06 0.33 0.01 0.28 0.00 0.00 0.00 179.25 179.92 2bvj h VAL 280 N 0.79 1.25 -0.35 0.00 2.07 -0.92 -1.04 116.25 118.05 2bvj h VAL 280 Ca 0.20 -1.05 -0.06 0.00 0.82 0.00 0.00 66.70 66.60 2bvj h VAL 280 Cb 0.15 0.83 -0.02 0.00 -1.52 0.00 0.00 31.29 30.73 2bvj h VAL 280 CO -0.02 0.38 -0.04 -0.33 0.02 0.00 0.00 177.57 177.57 2bvj h GLU 281 N 0.83 0.57 -0.00 1.57 4.39 -1.10 -1.93 114.58 118.92 2bvj h GLU 281 Ca 0.16 -0.14 -0.15 0.00 0.34 0.00 0.00 59.36 59.57 2bvj h GLU 281 Cb 0.48 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 29.04 2bvj h GLU 281 CO 0.02 0.63 -0.69 1.49 -1.16 0.00 0.00 179.01 179.30 2bvj h GLU 282 N 0.54 0.02 -0.61 2.33 4.57 -0.72 -1.26 114.58 119.46 2bvj h GLU 282 Ca 0.11 -0.02 -0.04 0.00 -1.18 0.00 0.00 59.36 58.23 2bvj h GLU 282 Cb 0.41 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 28.98 2bvj h GLU 282 CO 0.02 0.71 0.22 0.52 -1.18 0.00 0.00 179.01 179.29 2bvj h MET 283 N 0.02 0.93 -0.35 1.92 2.86 -0.66 0.46 114.93 120.11 2bvj h MET 283 Ca -0.01 -0.18 -0.02 0.00 -2.06 0.00 0.00 59.70 57.42 2bvj h MET 283 Cb 1.23 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 32.73 2bvj h MET 283 CO 0.09 0.81 0.12 -0.07 1.06 0.00 0.00 176.91 178.92 2bvj h LEU 284 N 0.86 0.49 0.23 1.22 3.38 -1.12 -1.29 115.31 119.08 2bvj h LEU 284 Ca 0.20 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 2bvj h LEU 284 Cb 0.25 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.87 2bvj h LEU 284 CO -0.01 0.55 -0.11 -0.09 0.09 0.00 0.00 178.44 178.86 2bvj h ARG 285 N 0.41 -0.30 0.26 1.13 1.12 -0.93 -1.98 114.38 114.09 2bvj h ARG 285 Ca 0.11 0.02 -0.01 0.00 -1.11 0.00 0.00 59.98 58.99 2bvj h ARG 285 Cb 0.22 0.07 0.00 0.00 -0.01 0.00 0.00 29.97 30.25 2bvj h ARG 285 CO -0.01 -0.00 -0.12 -0.92 -3.11 0.00 0.00 179.97 175.81 2bvj h TYR 286 N -0.59 -0.32 -1.91 2.20 3.20 -0.11 -3.40 116.97 116.04 2bvj h TYR 286 Ca -0.03 -0.01 -0.47 0.00 3.14 0.00 0.00 58.73 61.36 2bvj h TYR 286 Cb 0.43 0.11 -0.40 0.00 1.54 0.00 0.00 36.73 38.41 2bvj h TYR 286 CO 0.01 -0.03 -1.19 0.39 -1.64 0.00 0.00 178.16 175.71 2bvj n GLU 287 N -5.13 0.98 -1.05 1.82 -0.58 -0.50 -5.03 120.64 111.16 2bvj n GLU 287 Ca -0.09 -3.35 -0.33 0.00 -0.42 0.00 0.00 57.16 52.97 2bvj n GLU 287 Cb 0.23 -1.67 0.13 0.00 -0.57 0.00 0.00 31.44 29.56 2bvj n GLU 287 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 2bvj s GLY 288 N -2.44 2.05 0.26 0.62 0.00 -0.74 -4.72 107.32 102.34 2bvj s GLY 288 Ca 0.39 0.77 -0.04 0.00 0.00 0.00 0.00 44.72 45.84 2bvj s GLY 288 CO -0.07 1.18 1.85 -2.55 0.00 0.00 0.00 173.10 173.51 2bvj h PRO 289 N -1.09 1.05 -5.72 2.90 0.11 -1.83 -3.41 132.00 124.02 2bvj h PRO 289 Ca -0.45 -0.16 -0.62 0.00 0.11 0.00 0.00 66.00 64.87 2bvj h PRO 289 Cb 1.29 -0.19 -0.13 0.00 0.11 0.00 0.00 31.00 32.08 2bvj h PRO 289 CO 0.45 0.83 0.32 0.08 -0.21 0.00 0.00 178.00 179.47 2bvj s VAL 290 N -5.55 4.72 -0.07 3.15 1.01 -1.26 -1.39 120.40 121.01 2bvj s VAL 290 Ca -0.11 0.59 -0.21 0.00 0.00 0.00 0.00 61.98 62.25 2bvj s VAL 290 Cb 0.16 -4.24 -0.30 0.00 0.00 0.00 0.00 36.38 32.00 2bvj s VAL 290 CO 0.81 -0.55 0.79 -0.08 0.00 0.00 0.00 175.10 176.07 2bvj h GLU 291 N 8.72 0.27 -4.65 2.72 4.81 -1.38 -3.38 114.58 121.69 2bvj h GLU 291 Ca -0.25 -0.46 -0.43 0.00 -0.13 0.00 0.00 59.36 58.09 2bvj h GLU 291 Cb 1.09 0.17 -0.31 0.00 0.63 0.00 0.00 28.75 30.34 2bvj h GLU 291 CO 0.92 1.22 -0.79 -1.12 -0.73 0.00 0.00 179.01 178.51 2bvj s SER 292 N -6.96 1.25 1.04 1.04 0.01 -1.13 -1.72 113.70 107.22 2bvj s SER 292 Ca -0.16 -0.19 -0.12 0.00 1.31 0.00 0.00 55.95 56.79 2bvj s SER 292 Cb 0.02 -0.31 0.21 0.00 0.21 0.00 0.00 66.02 66.14 2bvj s SER 292 CO 0.80 0.08 1.07 0.00 0.41 0.00 0.00 173.24 175.60 2bvj s ALA 293 N 0.14 0.56 0.75 1.44 0.00 0.32 -4.80 121.76 120.17 2bvj s ALA 293 Ca -0.02 -0.15 -0.12 0.00 0.00 0.00 0.00 51.96 51.66 2bvj s ALA 293 Cb -0.08 -3.20 0.05 0.00 0.00 0.00 0.00 23.12 19.88 2bvj s ALA 293 CO 0.00 -3.12 1.11 0.95 0.00 0.00 0.00 175.76 174.70 2bvj s THR 294 N -2.75 3.09 0.15 0.00 -4.23 -1.26 -4.44 115.64 106.20 2bvj s THR 294 Ca 0.66 0.42 -0.34 0.00 -1.18 0.00 0.00 61.69 61.25 2bvj s THR 294 Cb -0.21 -2.87 -0.16 0.00 1.34 0.00 0.00 72.50 70.60 2bvj s THR 294 CO 0.60 -0.40 1.29 -1.22 -0.54 0.00 0.00 174.62 174.35 2bvj n TYR 295 N -3.16 1.56 -4.67 3.99 4.02 -1.26 -4.77 117.16 112.87 2bvj n TYR 295 Ca 0.10 0.60 -0.24 0.00 -0.01 0.00 0.00 57.90 58.35 2bvj n TYR 295 Cb 0.52 -2.34 -0.14 0.00 -0.02 0.00 0.00 39.34 37.36 2bvj n TYR 295 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 2bvj s ARG 296 N 0.07 1.33 -0.17 -0.72 0.52 -0.94 -4.67 118.95 114.37 2bvj s ARG 296 Ca 0.77 -0.79 -0.00 0.00 -0.52 0.00 0.00 55.73 55.19 2bvj s ARG 296 Cb -0.85 -1.36 0.04 0.00 0.52 0.00 0.00 34.95 33.29 2bvj s ARG 296 CO 0.48 0.36 -0.08 -0.06 0.02 0.00 0.00 175.30 176.02 2bvj s PHE 297 N -0.67 1.92 0.22 -0.53 0.40 0.13 -0.36 117.98 119.10 2bvj s PHE 297 Ca 0.06 -1.20 -0.31 0.00 -0.60 0.00 0.00 56.93 54.89 2bvj s PHE 297 Cb -0.08 -1.42 -0.10 0.00 0.51 0.00 0.00 43.02 41.93 2bvj s PHE 297 CO 0.01 -0.65 1.49 -1.25 0.70 0.00 0.00 175.22 175.52 2bvj s PRO 298 N 1.56 4.24 0.34 0.24 0.04 -1.25 -0.81 135.00 139.36 2bvj s PRO 298 Ca 0.01 2.32 0.17 0.00 0.04 0.00 0.00 61.00 63.55 2bvj s PRO 298 Cb -0.15 -3.13 0.50 0.00 0.04 0.00 0.00 34.50 31.77 2bvj s PRO 298 CO -0.08 -0.49 1.65 -0.39 0.04 0.00 0.00 177.00 177.73 2bvj h VAL 299 N 3.72 0.92 -4.20 -0.36 -1.51 -1.37 0.31 116.25 113.75 2bvj h VAL 299 Ca -0.45 -1.76 -0.16 0.00 -1.23 0.00 0.00 66.70 63.10 2bvj h VAL 299 Cb 1.21 2.08 -0.15 0.00 -2.13 0.00 0.00 31.29 32.30 2bvj h VAL 299 CO 0.83 0.42 -0.67 -1.83 -1.23 0.00 0.00 177.57 175.09 2bvj s GLU 300 N -3.43 0.74 0.25 5.19 -1.05 -1.26 -4.77 118.70 114.38 2bvj s GLU 300 Ca 0.01 -1.31 -0.31 0.00 -0.15 0.00 0.00 54.97 53.21 2bvj s GLU 300 Cb 0.10 0.14 -0.13 0.00 -0.44 0.00 0.00 34.13 33.80 2bvj s GLU 300 CO 0.71 -0.14 1.52 -2.30 0.95 0.00 0.00 175.26 176.00 2bvj n PRO 301 N 0.02 2.36 -5.13 -4.83 -0.02 -1.26 -4.38 135.00 121.76 2bvj n PRO 301 Ca -0.11 0.84 -0.32 0.00 -2.02 0.00 0.00 63.50 61.89 2bvj n PRO 301 Cb 0.62 -2.57 -0.17 0.00 -0.02 0.00 0.00 33.50 31.36 2bvj n PRO 301 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2bvj s VAL 302 N 0.16 2.20 -0.27 -1.45 1.01 -0.92 -4.95 120.40 116.17 2bvj s VAL 302 Ca 0.68 -0.97 -0.13 0.00 0.00 0.00 0.00 61.98 61.56 2bvj s VAL 302 Cb -0.58 -1.85 -0.04 0.00 0.00 0.00 0.00 36.38 33.90 2bvj s VAL 302 CO 0.47 0.55 0.30 -0.62 0.00 0.00 0.00 175.10 175.80 2bvj s ASP 303 N 0.37 6.17 -0.56 3.32 -1.08 -1.26 -0.61 116.67 123.02 2bvj s ASP 303 Ca -0.17 0.18 -0.01 0.00 -0.52 0.00 0.00 52.55 52.03 2bvj s ASP 303 Cb -0.18 -2.18 0.14 0.00 -1.46 0.00 0.00 42.92 39.25 2bvj s ASP 303 CO 0.08 -0.13 0.35 -0.76 0.52 0.00 0.00 175.17 175.22 2bvj s LEU 304 N 1.94 5.01 -1.33 -1.34 1.43 0.24 -4.75 118.68 119.88 2bvj s LEU 304 Ca 0.12 -2.73 -0.02 0.00 -1.03 0.00 0.00 54.13 50.46 2bvj s LEU 304 Cb -0.16 -1.79 0.01 0.00 0.03 0.00 0.00 46.19 44.28 2bvj s LEU 304 CO 0.10 -0.36 0.76 -0.67 0.23 0.00 0.00 176.35 176.41 2bvj n ASP 305 N 3.60 -1.81 0.00 2.29 2.03 -1.26 -2.05 116.55 119.35 2bvj n ASP 305 Ca 0.06 -0.80 0.00 0.00 0.52 0.00 0.00 54.79 54.57 2bvj n ASP 305 Cb 0.37 -4.11 0.00 0.00 -0.72 0.00 0.00 41.12 36.66 2bvj n ASP 305 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2bvj n GLY 306 N -1.58 3.28 3.63 0.27 0.00 -1.26 -5.01 105.19 104.52 2bvj n GLY 306 Ca -0.25 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.39 2bvj n GLY 306 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2bvj s THR 307 N -2.77 5.18 -0.27 2.61 2.01 -0.87 -5.06 115.64 116.46 2bvj s THR 307 Ca 0.00 0.64 -0.10 0.00 0.31 0.00 0.00 61.69 62.54 2bvj s THR 307 Cb 0.00 -3.72 -0.04 0.00 0.01 0.00 0.00 72.50 68.75 2bvj s THR 307 CO 0.00 0.19 0.16 -0.69 -0.69 0.00 0.00 174.62 173.59 2bvj s VAL 308 N 1.79 5.08 -0.42 3.82 1.01 -1.26 0.82 120.40 131.24 2bvj s VAL 308 Ca 0.17 0.08 -0.19 0.00 0.00 0.00 0.00 61.98 62.04 2bvj s VAL 308 Cb -0.15 -3.42 0.02 0.00 0.00 0.00 0.00 36.38 32.83 2bvj s VAL 308 CO 0.09 0.26 0.54 -0.63 0.00 0.00 0.00 175.10 175.36 2bvj s ILE 309 N 1.72 4.96 0.66 2.22 1.01 0.22 -4.92 121.20 127.07 2bvj s ILE 309 Ca 0.07 -0.04 -0.17 0.00 0.00 0.00 0.00 60.65 60.51 2bvj s ILE 309 Cb -0.16 -4.11 -0.02 0.00 0.01 0.00 0.00 42.46 38.18 2bvj s ILE 309 CO 0.09 -0.48 0.97 -0.81 0.00 0.00 0.00 174.94 174.72 2bvj n PRO 310 N 5.93 0.71 -2.02 2.79 -0.04 -1.26 -2.17 135.00 138.94 2bvj n PRO 310 Ca -0.04 0.29 -0.41 0.00 -0.04 0.00 0.00 63.50 63.30 2bvj n PRO 310 Cb 0.48 -2.21 -0.02 0.00 -0.04 0.00 0.00 33.50 31.72 2bvj n PRO 310 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2bvj s ALA 311 N -1.65 3.54 0.00 0.55 0.00 -1.26 -2.91 121.76 120.03 2bvj s ALA 311 Ca 0.75 1.35 0.00 0.00 0.00 0.00 0.00 51.96 54.07 2bvj s ALA 311 Cb -0.38 -3.53 0.00 0.00 0.00 0.00 0.00 23.12 19.22 2bvj s ALA 311 CO 0.48 -0.76 0.00 0.41 0.00 0.00 0.00 175.76 175.88 2bvj n GLY 312 N 0.95 2.69 3.77 0.00 0.00 0.10 -4.91 105.19 107.80 2bvj n GLY 312 Ca 0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.71 2bvj n GLY 312 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2bvj s ASP 313 N -1.38 5.08 -0.08 1.61 1.11 -1.14 -2.02 116.67 119.83 2bvj s ASP 313 Ca 0.00 1.98 -0.24 0.00 0.18 0.00 0.00 52.55 54.47 2bvj s ASP 313 Cb 0.00 -2.55 -0.03 0.00 1.07 0.00 0.00 42.92 41.41 2bvj s ASP 313 CO 0.00 -1.65 0.73 -0.89 1.18 0.00 0.00 175.17 174.54 2bvj s THR 314 N -2.39 5.01 -0.10 -1.27 2.01 -1.26 -3.91 115.64 113.72 2bvj s THR 314 Ca 0.66 1.50 0.03 0.00 0.31 0.00 0.00 61.69 64.19 2bvj s THR 314 Cb -0.20 -4.07 0.01 0.00 0.01 0.00 0.00 72.50 68.25 2bvj s THR 314 CO 0.43 0.21 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.67 2bvj s VAL 315 N 1.03 1.83 -0.26 3.82 1.01 0.52 -0.86 120.40 127.49 2bvj s VAL 315 Ca 0.38 -0.87 -0.04 0.00 0.00 0.00 0.00 61.98 61.45 2bvj s VAL 315 Cb -0.18 -1.60 0.01 0.00 0.00 0.00 0.00 36.38 34.61 2bvj s VAL 315 CO 0.18 0.51 -0.00 -0.76 0.00 0.00 0.00 175.10 175.02 2bvj s LEU 316 N 0.55 3.35 -0.40 3.92 1.02 0.19 -2.21 118.68 125.10 2bvj s LEU 316 Ca -0.15 -0.66 -0.26 0.00 0.02 0.00 0.00 54.13 53.09 2bvj s LEU 316 Cb -0.17 -1.77 0.02 0.00 0.02 0.00 0.00 46.19 44.29 2bvj s LEU 316 CO 0.05 -0.12 0.93 -0.69 0.02 0.00 0.00 176.35 176.54 2bvj s VAL 317 N 1.44 4.54 -1.16 -1.59 1.01 -1.26 -0.84 120.40 122.54 2bvj s VAL 317 Ca 0.03 1.04 -0.20 0.00 0.00 0.00 0.00 61.98 62.85 2bvj s VAL 317 Cb -0.16 -4.37 0.07 0.00 0.00 0.00 0.00 36.38 31.92 2bvj s VAL 317 CO -0.01 -0.64 1.56 -0.69 0.00 0.00 0.00 175.10 175.32 2bvj s VAL 318 N 3.58 4.16 0.38 2.92 1.01 -0.57 -0.52 120.40 131.36 2bvj s VAL 318 Ca 0.38 -1.52 0.10 0.00 0.00 0.00 0.00 61.98 60.94 2bvj s VAL 318 Cb -0.11 -5.10 0.32 0.00 0.00 0.00 0.00 36.38 31.50 2bvj s VAL 318 CO 0.21 -1.93 1.90 -0.07 0.00 0.00 0.00 175.10 175.22 2bvj h LEU 319 N 12.28 0.59 -0.74 3.92 3.38 -1.60 -1.78 115.31 131.35 2bvj h LEU 319 Ca 0.32 0.03 0.05 0.00 0.09 0.00 0.00 57.88 58.37 2bvj h LEU 319 Cb 0.93 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 41.54 2bvj h LEU 319 CO 1.41 0.32 0.45 0.00 0.09 0.00 0.00 178.44 180.71 2bvj h ALA 320 N 1.61 1.00 -0.07 1.53 0.00 -1.60 -0.91 119.26 120.82 2bvj h ALA 320 Ca 0.39 -0.00 -0.18 0.00 0.00 0.00 0.00 54.91 55.12 2bvj h ALA 320 Cb 0.64 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 2bvj h ALA 320 CO -0.16 0.18 -0.74 0.22 0.00 0.00 0.00 179.25 178.76 2bvj h ASP 321 N 0.84 0.44 -0.73 0.00 3.58 -1.62 -3.01 116.42 115.91 2bvj h ASP 321 Ca 0.32 -0.29 0.07 0.00 0.42 0.00 0.00 57.03 57.55 2bvj h ASP 321 Cb 0.13 -0.13 -0.06 0.00 1.72 0.00 0.00 39.33 40.98 2bvj h ASP 321 CO -0.15 1.03 0.41 0.00 -2.88 0.00 0.00 179.24 177.64 2bvj h ALA 322 N 0.96 1.00 0.00 -0.78 0.00 -0.85 -1.34 119.26 118.25 2bvj h ALA 322 Ca -0.03 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2bvj h ALA 322 Cb 1.31 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.98 2bvj h ALA 322 CO 0.12 0.07 0.00 0.72 0.00 0.00 0.00 179.25 180.16 2bvj n HIS 323 N -4.77 0.01 -0.71 0.00 8.25 -0.42 -2.55 115.22 115.02 2bvj n HIS 323 Ca 0.10 0.00 0.07 0.00 -0.26 0.00 0.00 57.72 57.64 2bvj n HIS 323 Cb 0.22 -0.50 0.22 0.00 1.12 0.00 0.00 29.99 31.04 2bvj n HIS 323 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2bvj n ARG 324 N -1.51 2.87 -2.51 -0.41 5.12 -0.53 -4.82 116.66 114.87 2bvj n ARG 324 Ca 0.05 -2.55 -0.43 0.00 -1.93 0.00 0.00 57.85 52.98 2bvj n ARG 324 Cb 0.22 -1.63 -0.02 0.00 -1.16 0.00 0.00 32.46 29.87 2bvj n ARG 324 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 2bvj s THR 325 N -2.21 4.10 0.20 0.55 2.01 -1.04 -4.82 115.64 114.43 2bvj s THR 325 Ca 0.35 1.14 -0.19 0.00 0.31 0.00 0.00 61.69 63.30 2bvj s THR 325 Cb 0.26 -4.44 0.16 0.00 0.01 0.00 0.00 72.50 68.50 2bvj s THR 325 CO 0.11 -0.88 1.59 -0.65 -0.69 0.00 0.00 174.62 174.10 2bvj h PRO 326 N 9.72 -0.12 -0.53 4.92 0.11 -1.92 0.13 132.00 144.32 2bvj h PRO 326 Ca -0.25 0.01 0.15 0.00 0.11 0.00 0.00 66.00 66.02 2bvj h PRO 326 Cb 1.08 0.03 -0.02 0.00 0.11 0.00 0.00 31.00 32.19 2bvj h PRO 326 CO 1.11 -0.08 0.41 0.93 -0.21 0.00 0.00 178.00 180.16 2bvj h GLU 327 N -0.12 0.00 0.02 1.05 3.07 -1.99 -2.71 114.58 113.89 2bvj h GLU 327 Ca 0.26 0.00 -0.31 0.00 -0.50 0.00 0.00 59.36 58.81 2bvj h GLU 327 Cb 0.54 0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 28.41 2bvj h GLU 327 CO -0.69 0.00 -1.73 -2.13 -1.40 0.00 0.00 179.01 173.06 2bvj n ARG 328 N -4.22 0.60 -3.91 2.33 3.00 -0.39 -4.78 116.66 109.29 2bvj n ARG 328 Ca 0.10 0.44 -0.30 0.00 -0.00 0.00 0.00 57.85 58.08 2bvj n ARG 328 Cb 0.63 -1.67 -0.15 0.00 0.00 0.00 0.00 32.46 31.27 2bvj n ARG 328 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.63 177.57 2bvj s PHE 329 N -2.43 3.02 0.39 -0.14 0.40 -0.11 -5.08 117.98 114.04 2bvj s PHE 329 Ca -0.31 -2.73 -0.26 0.00 -0.60 0.00 0.00 56.93 53.03 2bvj s PHE 329 Cb 0.08 -2.54 -0.11 0.00 0.51 0.00 0.00 43.02 40.96 2bvj s PHE 329 CO 0.59 -0.87 1.28 -0.35 0.70 0.00 0.00 175.22 176.57 2bvj n PRO 330 N 4.04 2.03 -3.73 0.24 -0.04 -1.04 -2.10 135.00 134.39 2bvj n PRO 330 Ca 0.04 0.72 -0.25 0.00 -0.04 0.00 0.00 63.50 63.96 2bvj n PRO 330 Cb 0.39 -2.37 0.02 0.00 -0.04 0.00 0.00 33.50 31.51 2bvj n PRO 330 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2bvj n ASP 331 N 0.43 -2.52 -0.24 3.54 2.03 -1.26 -4.83 116.55 113.70 2bvj n ASP 331 Ca 0.06 -0.92 0.25 0.00 0.52 0.00 0.00 54.79 54.69 2bvj n ASP 331 Cb 0.38 -3.66 0.62 0.00 -0.72 0.00 0.00 41.12 37.74 2bvj n ASP 331 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 2bvj h PRO 332 N -1.82 0.20 -0.01 -0.67 0.13 -1.74 -0.86 132.00 127.23 2bvj h PRO 332 Ca -0.63 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.49 2bvj h PRO 332 Cb 1.36 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.45 2bvj h PRO 332 CO 0.55 0.13 0.00 0.72 -0.23 0.00 0.00 178.00 179.17 2bvj n HIS 333 N -4.41 0.01 -3.47 1.56 8.25 -1.26 -4.76 115.22 111.14 2bvj n HIS 333 Ca 0.21 -0.01 -0.37 0.00 -0.26 0.00 0.00 57.72 57.29 2bvj n HIS 333 Cb 0.88 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.92 2bvj n HIS 333 CO 0.00 0.00 0.00 0.50 0.64 0.00 0.00 176.34 177.48 2bvj s ARG 334 N -1.99 4.20 -0.53 -0.41 3.52 -0.33 -5.03 118.95 118.38 2bvj s ARG 334 Ca 0.39 0.12 -0.26 0.00 -0.13 0.00 0.00 55.73 55.85 2bvj s ARG 334 Cb 0.18 -3.49 0.03 0.00 -1.56 0.00 0.00 34.95 30.12 2bvj s ARG 334 CO 0.31 0.08 1.01 0.12 -0.81 0.00 0.00 175.30 176.00 2bvj s PHE 335 N 0.95 2.79 -0.29 5.12 5.36 -1.26 -4.99 117.98 125.66 2bvj s PHE 335 Ca 0.17 0.23 0.01 0.00 -0.96 0.00 0.00 56.93 56.38 2bvj s PHE 335 Cb -0.14 -4.17 0.09 0.00 -0.34 0.00 0.00 43.02 38.46 2bvj s PHE 335 CO 0.06 -1.33 0.04 0.34 -1.46 0.00 0.00 175.22 172.87 2bvj s ASP 336 N 2.69 4.14 0.06 6.13 -1.08 -1.26 -4.93 116.67 122.43 2bvj s ASP 336 Ca 0.36 -1.63 0.09 0.00 -0.52 0.00 0.00 52.55 50.85 2bvj s ASP 336 Cb -0.10 -1.14 0.41 0.00 -1.46 0.00 0.00 42.92 40.63 2bvj s ASP 336 CO 0.23 -0.36 1.28 2.30 0.52 0.00 0.00 175.17 179.15 2bvj n ILE 337 N 4.65 1.48 -0.10 4.11 -5.35 -1.26 -1.23 119.36 121.66 2bvj n ILE 337 Ca -0.03 0.43 0.08 0.00 -0.27 0.00 0.00 62.75 62.97 2bvj n ILE 337 Cb 0.43 -1.35 0.20 0.00 -1.74 0.00 0.00 39.64 37.18 2bvj n ILE 337 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 2bvj n ARG 338 N -1.66 2.55 -1.24 6.28 1.74 -1.26 -3.69 116.66 119.39 2bvj n ARG 338 Ca 0.01 -2.19 -0.31 0.00 -0.77 0.00 0.00 57.85 54.59 2bvj n ARG 338 Cb 0.07 -1.39 0.10 0.00 -1.02 0.00 0.00 32.46 30.22 2bvj n ARG 338 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 2bvj s ARG 339 N -1.07 2.13 -0.40 5.56 3.52 -0.37 -4.97 118.95 123.36 2bvj s ARG 339 Ca 0.32 1.15 -0.27 0.00 -0.13 0.00 0.00 55.73 56.80 2bvj s ARG 339 Cb 0.17 -1.88 0.02 0.00 -1.56 0.00 0.00 34.95 31.70 2bvj s ARG 339 CO 0.23 -1.73 1.00 0.34 -0.81 0.00 0.00 175.30 174.34 2bvj s ASP 340 N -3.37 6.69 0.00 -2.12 -1.08 -1.26 -4.87 116.67 110.65 2bvj s ASP 340 Ca 0.61 0.57 0.17 0.00 -0.52 0.00 0.00 52.55 53.38 2bvj s ASP 340 Cb -0.17 -2.50 0.41 0.00 -1.46 0.00 0.00 42.92 39.20 2bvj s ASP 340 CO 0.56 -0.99 1.33 0.35 0.52 0.00 0.00 175.17 176.95 2bvj n THR 341 N 6.23 0.82 -1.67 1.71 -2.24 -1.26 -5.00 114.28 112.87 2bvj n THR 341 Ca 0.09 -0.91 -0.45 0.00 -2.27 0.00 0.00 64.05 60.51 2bvj n THR 341 Cb 0.48 0.65 -0.03 0.00 -2.10 0.00 0.00 70.33 69.34 2bvj n THR 341 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2bvj n ALA 342 N 1.05 0.99 -0.78 6.98 0.00 -1.26 -2.26 120.51 125.23 2bvj n ALA 342 Ca 0.16 0.41 0.00 0.00 0.00 0.00 0.00 53.44 54.02 2bvj n ALA 342 Cb 0.50 -2.25 0.00 0.00 0.00 0.00 0.00 19.45 17.70 2bvj n ALA 342 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2bvj n GLY 343 N 2.04 0.77 3.74 0.00 0.00 -1.26 -5.04 105.19 105.45 2bvj n GLY 343 Ca 0.11 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.78 2bvj n GLY 343 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2bvj s HIS 344 N -2.92 2.25 -0.23 1.61 -3.43 -0.96 -4.94 115.29 106.68 2bvj s HIS 344 Ca 0.00 1.53 0.14 0.00 -0.80 0.00 0.00 55.06 55.93 2bvj s HIS 344 Cb 0.00 -3.51 0.74 0.00 -1.43 0.00 0.00 32.58 28.38 2bvj s HIS 344 CO 0.00 -2.44 1.67 1.28 -2.00 0.00 0.00 174.74 173.25 2bvj n LEU 345 N -1.97 5.28 0.05 5.38 4.77 -1.26 -4.66 117.00 124.59 2bvj n LEU 345 Ca 0.14 -3.00 0.12 0.00 -0.03 0.00 0.00 56.01 53.24 2bvj n LEU 345 Cb 0.50 -0.66 0.59 0.00 -2.33 0.00 0.00 43.42 41.52 2bvj n LEU 345 CO 0.46 0.67 1.15 0.00 -1.33 0.00 0.00 177.39 178.33 2bvj h ALA 346 N 3.25 2.12 -0.60 -1.18 0.00 -1.92 0.35 119.26 121.28 2bvj h ALA 346 Ca 0.03 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2bvj h ALA 346 Cb 1.88 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.64 2bvj h ALA 346 CO 0.45 -0.21 0.00 1.19 0.00 0.00 0.00 179.25 180.68 2bvj n PHE 347 N -4.46 1.29 -2.91 0.00 3.72 -1.26 -4.78 117.46 109.05 2bvj n PHE 347 Ca 0.05 -0.61 0.00 0.00 -0.05 0.00 0.00 57.45 56.85 2bvj n PHE 347 Cb 0.32 -0.20 0.00 0.00 -0.94 0.00 0.00 39.48 38.67 2bvj n PHE 347 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2bvj n GLY 348 N 1.02 -1.77 3.61 1.37 0.00 0.11 -0.90 105.19 108.62 2bvj n GLY 348 Ca 0.24 -1.54 -0.11 0.00 0.00 0.00 0.00 46.02 44.61 2bvj n GLY 348 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2bvj s HIS 349 N 0.00 -0.49 0.00 1.61 2.46 -1.26 -4.67 115.29 112.94 2bvj s HIS 349 Ca 0.00 1.08 0.00 0.00 0.47 0.00 0.00 55.06 56.61 2bvj s HIS 349 Cb 0.00 0.38 0.00 0.00 -0.13 0.00 0.00 32.58 32.83 2bvj s HIS 349 CO 0.00 -0.31 0.00 0.41 -2.47 0.00 0.00 174.74 172.37 2bvj n GLY 350 N 1.71 -1.85 0.31 1.59 0.00 -1.26 -4.16 105.19 101.53 2bvj n GLY 350 Ca -0.13 -1.98 0.19 0.00 0.00 0.00 0.00 46.02 44.11 2bvj n GLY 350 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 2bvj h ILE 351 N 0.00 0.18 -0.61 -0.61 3.07 -1.92 -1.78 117.51 115.84 2bvj h ILE 351 Ca 0.00 -0.14 0.00 0.00 1.55 0.00 0.00 64.86 66.27 2bvj h ILE 351 Cb 0.00 1.11 0.00 0.00 -0.27 0.00 0.00 36.82 37.66 2bvj h ILE 351 CO 0.00 0.02 0.00 1.41 -1.05 0.00 0.00 178.15 178.53 2bvj n HIS 352 N -3.31 0.97 -1.60 0.16 8.25 -1.26 -4.97 115.22 113.46 2bvj n HIS 352 Ca -0.02 -0.45 -0.53 0.00 -0.26 0.00 0.00 57.72 56.46 2bvj n HIS 352 Cb 0.13 -0.06 -0.06 0.00 1.12 0.00 0.00 29.99 31.11 2bvj n HIS 352 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 2bvj n PHE 353 N 1.24 1.56 -1.74 4.41 7.35 -0.67 -4.70 117.46 124.91 2bvj n PHE 353 Ca 0.21 0.64 -0.67 0.00 -0.76 0.00 0.00 57.45 56.87 2bvj n PHE 353 Cb 0.60 -2.34 -0.10 0.00 0.35 0.00 0.00 39.48 38.00 2bvj n PHE 353 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2bvj h ILE 355 N 4.93 0.00 -0.27 0.00 2.10 -1.91 -3.23 117.51 119.13 2bvj h ILE 355 Ca -0.44 -0.60 0.00 0.00 1.08 0.00 0.00 64.86 64.89 2bvj h ILE 355 Cb 1.37 1.47 0.00 0.00 -1.09 0.00 0.00 36.82 38.57 2bvj h ILE 355 CO 0.96 0.00 0.00 0.61 -1.08 0.00 0.00 178.15 178.64 2bvj n GLY 356 N 1.27 1.01 0.26 8.18 0.00 -1.26 -4.57 105.19 110.08 2bvj n GLY 356 Ca 0.04 -0.59 0.02 0.00 0.00 0.00 0.00 46.02 45.50 2bvj n GLY 356 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bvj h ALA 357 N 4.31 0.59 -0.51 4.61 0.00 -1.95 -0.20 119.26 126.12 2bvj h ALA 357 Ca 0.00 0.25 -0.02 0.00 0.00 0.00 0.00 54.91 55.14 2bvj h ALA 357 Cb 0.75 0.46 -0.02 0.00 0.00 0.00 0.00 17.79 18.98 2bvj h ALA 357 CO 0.00 -0.42 0.23 -1.00 0.00 0.00 0.00 179.25 178.06 2bvj h PRO 358 N 0.05 0.71 -0.18 0.00 0.13 -1.88 -0.82 132.00 130.00 2bvj h PRO 358 Ca 0.36 -0.09 -0.16 0.00 -0.87 0.00 0.00 66.00 65.24 2bvj h PRO 358 Cb 0.59 -0.14 0.00 0.00 0.13 0.00 0.00 31.00 31.59 2bvj h PRO 358 CO -0.67 0.56 -0.50 1.25 -0.23 0.00 0.00 178.00 178.41 2bvj h LEU 359 N 0.71 0.76 -0.38 1.56 5.85 -1.44 -1.69 115.31 120.68 2bvj h LEU 359 Ca 0.18 -0.58 0.03 0.00 0.84 0.00 0.00 57.88 58.35 2bvj h LEU 359 Cb 0.10 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 40.87 2bvj h LEU 359 CO -0.02 1.20 0.18 0.00 -0.34 0.00 0.00 178.44 179.47 2bvj h ALA 360 N 0.57 0.47 -0.81 1.25 0.00 -0.84 0.02 119.26 119.92 2bvj h ALA 360 Ca -0.01 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 2bvj h ALA 360 Cb 1.12 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.82 2bvj h ALA 360 CO 0.11 -0.18 0.39 0.00 0.00 0.00 0.00 179.25 179.57 2bvj h ARG 361 N 0.38 1.17 -0.10 0.00 3.08 -1.12 -0.61 114.38 117.17 2bvj h ARG 361 Ca 0.16 -0.17 0.01 0.00 0.07 0.00 0.00 59.98 60.05 2bvj h ARG 361 Cb 0.08 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 29.91 2bvj h ARG 361 CO -0.12 0.90 0.04 1.25 -1.07 0.00 0.00 179.97 180.97 2bvj h LEU 362 N 1.15 0.05 -0.17 3.04 5.85 -0.62 0.51 115.31 125.12 2bvj h LEU 362 Ca 0.28 0.01 0.00 0.00 0.84 0.00 0.00 57.88 59.01 2bvj h LEU 362 Cb 0.12 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.14 2bvj h LEU 362 CO -0.04 0.05 0.11 -0.33 -0.34 0.00 0.00 178.44 177.89 2bvj h GLU 363 N 0.09 0.22 -0.25 1.25 5.08 -0.65 -1.51 114.58 118.82 2bvj h GLU 363 Ca 0.04 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.39 2bvj h GLU 363 Cb 0.02 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 2bvj h GLU 363 CO -0.04 0.16 0.15 0.00 -1.00 0.00 0.00 179.01 178.29 2bvj h ALA 364 N 1.05 0.32 -0.37 3.43 0.00 -0.94 -0.80 119.26 121.94 2bvj h ALA 364 Ca 0.06 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.95 2bvj h ALA 364 Cb -0.01 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 2bvj h ALA 364 CO -0.01 -0.19 0.22 0.00 0.00 0.00 0.00 179.25 179.27 2bvj h ARG 365 N 0.32 0.44 -0.50 0.00 3.08 -0.76 0.12 114.38 117.07 2bvj h ARG 365 Ca 0.09 -0.03 -0.13 0.00 0.07 0.00 0.00 59.98 59.99 2bvj h ARG 365 Cb 0.00 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 29.94 2bvj h ARG 365 CO -0.02 0.29 -0.18 0.82 -1.07 0.00 0.00 179.97 179.82 2bvj h ILE 366 N 0.45 1.27 -0.01 2.04 2.04 -1.19 -2.12 117.51 119.99 2bvj h ILE 366 Ca 0.14 -1.34 -0.00 0.00 1.00 0.00 0.00 64.86 64.66 2bvj h ILE 366 Cb -0.01 1.06 -0.00 0.00 -0.74 0.00 0.00 36.82 37.13 2bvj h ILE 366 CO -0.06 0.47 0.00 0.00 0.00 0.00 0.00 178.15 178.56 2bvj h ALA 367 N 0.91 0.02 -0.58 1.87 0.00 -0.90 -1.31 119.26 119.26 2bvj h ALA 367 Ca 0.12 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2bvj h ALA 367 Cb 0.75 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.51 2bvj h ALA 367 CO 0.06 -0.37 0.31 0.28 0.00 0.00 0.00 179.25 179.54 2bvj h VAL 368 N -0.20 1.19 -0.60 0.00 2.07 -0.97 -2.02 116.25 115.71 2bvj h VAL 368 Ca 0.00 -0.49 -0.05 0.00 0.82 0.00 0.00 66.70 66.99 2bvj h VAL 368 Cb 0.23 0.46 -0.03 0.00 -1.52 0.00 0.00 31.29 30.43 2bvj h VAL 368 CO 0.00 0.21 0.20 -0.09 0.02 0.00 0.00 177.57 177.91 2bvj h ARG 369 N 0.78 0.93 -0.45 1.57 2.43 -1.36 -2.46 114.38 115.81 2bvj h ARG 369 Ca 0.20 -0.19 -0.01 0.00 -0.81 0.00 0.00 59.98 59.17 2bvj h ARG 369 Cb 0.05 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.45 2bvj h ARG 369 CO -0.03 0.82 0.24 0.00 -1.51 0.00 0.00 179.97 179.49 2bvj h ALA 370 N 1.06 0.58 -0.67 2.80 0.00 -0.99 -0.46 119.26 121.58 2bvj h ALA 370 Ca 0.19 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 2bvj h ALA 370 Cb 0.27 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 2bvj h ALA 370 CO -0.01 0.12 0.32 -0.07 0.00 0.00 0.00 179.25 179.61 2bvj h LEU 371 N 0.59 0.89 -0.02 0.00 3.38 -1.27 -0.98 115.31 117.91 2bvj h LEU 371 Ca 0.16 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 2bvj h LEU 371 Cb 0.08 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.60 2bvj h LEU 371 CO -0.02 0.77 -0.02 -0.07 0.09 0.00 0.00 178.44 179.19 2bvj h LEU 372 N 0.94 0.05 -1.18 1.67 4.07 -1.29 -1.59 115.31 117.99 2bvj h LEU 372 Ca 0.23 -0.48 -0.07 0.00 0.08 0.00 0.00 57.88 57.64 2bvj h LEU 372 Cb 0.13 -0.01 -0.01 0.00 1.08 0.00 0.00 40.66 41.84 2bvj h LEU 372 CO -0.03 0.52 -0.18 -0.33 -1.08 0.00 0.00 178.44 177.34 2bvj h GLU 373 N -0.42 0.35 0.00 1.13 5.08 -1.05 -3.11 114.58 116.55 2bvj h GLU 373 Ca 0.00 -0.10 -0.09 0.00 -1.00 0.00 0.00 59.36 58.17 2bvj h GLU 373 Cb 0.51 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 2bvj h GLU 373 CO 0.00 0.53 -1.04 0.00 -1.00 0.00 0.00 179.01 177.51 2bvj h ARG 374 N 0.32 0.00 -3.09 2.33 3.08 -1.23 -3.42 114.38 112.37 2bvj h ARG 374 Ca 0.06 0.00 -0.62 0.00 0.07 0.00 0.00 59.98 59.49 2bvj h ARG 374 Cb 0.51 0.00 -0.41 0.00 0.08 0.00 0.00 29.97 30.15 2bvj h ARG 374 CO 0.03 0.19 -0.67 0.00 -1.07 0.00 0.00 179.97 178.45 2bvj h PRO 376 N 6.12 0.00 -0.67 0.00 0.13 -1.82 -2.28 132.00 133.48 2bvj h PRO 376 Ca 0.04 0.00 -0.30 0.00 -0.87 0.00 0.00 66.00 64.88 2bvj h PRO 376 Cb 0.86 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 31.81 2bvj h PRO 376 CO 0.61 0.06 0.28 -0.25 -0.23 0.00 0.00 178.00 178.48 2bvj n ASP 377 N -3.68 3.63 -4.76 1.44 8.00 -1.26 -5.01 116.55 114.90 2bvj n ASP 377 Ca -0.02 -3.52 -0.41 0.00 0.71 0.00 0.00 54.79 51.55 2bvj n ASP 377 Cb 0.17 -0.73 -0.02 0.00 -0.02 0.00 0.00 41.12 40.52 2bvj n ASP 377 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2bvj s LEU 378 N -3.17 4.39 0.14 0.64 2.96 -0.86 -4.09 118.68 118.68 2bvj s LEU 378 Ca 0.51 2.77 -0.24 0.00 -0.22 0.00 0.00 54.13 56.96 2bvj s LEU 378 Cb 0.44 -3.64 0.07 0.00 0.50 0.00 0.00 46.19 43.56 2bvj s LEU 378 CO 0.08 -0.68 0.64 0.00 -1.32 0.00 0.00 176.35 175.06 2bvj s ALA 379 N -0.67 -1.63 0.43 5.97 0.00 -0.43 -4.99 121.76 120.44 2bvj s ALA 379 Ca 0.54 0.57 -0.25 0.00 0.00 0.00 0.00 51.96 52.83 2bvj s ALA 379 Cb -0.42 0.81 -0.08 0.00 0.00 0.00 0.00 23.12 23.43 2bvj s ALA 379 CO 0.51 -0.75 1.25 -0.51 0.00 0.00 0.00 175.76 176.27 2bvj s LEU 380 N -2.68 4.13 0.00 0.00 1.43 -1.26 -1.06 118.68 119.24 2bvj s LEU 380 Ca 0.01 2.54 0.22 0.00 -1.03 0.00 0.00 54.13 55.87 2bvj s LEU 380 Cb -0.01 -4.04 0.62 0.00 0.03 0.00 0.00 46.19 42.79 2bvj s LEU 380 CO -0.12 -0.91 1.52 -0.67 0.23 0.00 0.00 176.35 176.40 2bvj n ASP 381 N -0.14 3.78 -3.82 2.29 2.03 0.62 -4.64 116.55 116.69 2bvj n ASP 381 Ca 0.05 -2.00 -0.09 0.00 0.52 0.00 0.00 54.79 53.27 2bvj n ASP 381 Cb 0.45 -0.47 -0.04 0.00 -0.72 0.00 0.00 41.12 40.34 2bvj n ASP 381 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 2bvj s VAL 382 N -1.07 0.03 0.53 5.18 -7.23 -1.26 -4.92 120.40 111.66 2bvj s VAL 382 Ca 0.47 -0.98 -0.15 0.00 -1.81 0.00 0.00 61.98 59.50 2bvj s VAL 382 Cb 0.25 -1.73 -0.07 0.00 0.56 0.00 0.00 36.38 35.38 2bvj s VAL 382 CO 0.32 -0.13 0.99 -0.94 -0.31 0.00 0.00 175.10 175.03 2bvj s SER 383 N -2.91 6.55 0.22 4.85 1.04 -1.26 -4.95 113.70 117.23 2bvj s SER 383 Ca 0.12 1.53 -0.09 0.00 0.48 0.00 0.00 55.95 57.99 2bvj s SER 383 Cb -0.00 -2.50 0.32 0.00 0.10 0.00 0.00 66.02 63.94 2bvj s SER 383 CO -0.00 -0.63 1.70 -0.65 0.98 0.00 0.00 173.24 174.63 2bvj h PRO 384 N 0.71 0.25 0.00 4.02 0.11 -1.99 0.18 132.00 135.27 2bvj h PRO 384 Ca -0.46 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2bvj h PRO 384 Cb 1.19 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.24 2bvj h PRO 384 CO 0.62 0.16 0.00 0.41 -0.21 0.00 0.00 178.00 178.98 2bvj n GLY 385 N -1.33 -0.72 0.22 -0.55 0.00 -1.26 -1.36 105.19 100.19 2bvj n GLY 385 Ca 0.10 0.11 0.12 0.00 0.00 0.00 0.00 46.02 46.35 2bvj n GLY 385 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2bvj n GLU 386 N -1.92 0.67 -2.54 1.61 1.02 0.05 -4.92 120.64 114.61 2bvj n GLU 386 Ca -0.01 -0.45 -0.38 0.00 -0.02 0.00 0.00 57.16 56.30 2bvj n GLU 386 Cb 0.03 -1.49 -0.04 0.00 -0.02 0.00 0.00 31.44 29.91 2bvj n GLU 386 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2bvj s LEU 387 N -2.64 4.33 -0.09 -4.62 1.43 -0.46 -4.99 118.68 111.64 2bvj s LEU 387 Ca 0.19 2.11 0.03 0.00 -1.03 0.00 0.00 54.13 55.43 2bvj s LEU 387 Cb 0.18 -3.93 -0.02 0.00 0.03 0.00 0.00 46.19 42.45 2bvj s LEU 387 CO 0.60 -0.30 -0.17 -0.69 0.23 0.00 0.00 176.35 176.01 2bvj s VAL 388 N -1.44 2.72 0.12 -1.59 1.01 -1.26 -5.06 120.40 114.91 2bvj s VAL 388 Ca 0.51 -0.81 0.04 0.00 0.00 0.00 0.00 61.98 61.73 2bvj s VAL 388 Cb -0.26 -2.08 -0.04 0.00 0.00 0.00 0.00 36.38 34.00 2bvj s VAL 388 CO 0.33 0.56 0.08 0.26 0.00 0.00 0.00 175.10 176.33 2bvj s TRP 389 N -0.09 3.11 -0.07 5.22 0.52 -1.26 -0.36 118.94 126.01 2bvj s TRP 389 Ca -0.03 0.00 -0.30 0.00 0.02 0.00 0.00 56.10 55.79 2bvj s TRP 389 Cb -0.14 -1.54 -0.02 0.00 -1.15 0.00 0.00 33.47 30.62 2bvj s TRP 389 CO 0.04 0.51 1.00 0.71 0.02 0.00 0.00 176.95 179.24 2bvj s TYR 390 N -1.56 3.55 0.14 -1.98 1.51 0.93 -4.78 117.35 115.17 2bvj s TYR 390 Ca 0.29 1.62 -0.31 0.00 -1.01 0.00 0.00 57.07 57.66 2bvj s TYR 390 Cb -0.11 -3.17 -0.09 0.00 -0.11 0.00 0.00 41.96 38.48 2bvj s TYR 390 CO 0.22 -0.18 1.43 -2.14 -1.11 0.00 0.00 175.55 173.77 2bvj s PRO 391 N 1.71 4.30 0.00 -1.71 0.02 -1.26 -4.63 135.00 133.43 2bvj s PRO 391 Ca 0.50 2.16 0.00 0.00 0.02 0.00 0.00 61.00 63.68 2bvj s PRO 391 Cb -0.19 -3.21 0.00 0.00 0.02 0.00 0.00 34.50 31.12 2bvj s PRO 391 CO 0.21 -0.46 0.00 -1.71 -0.33 0.00 0.00 177.00 174.71 2bvj n ASN 392 N 3.72 0.00 0.26 2.53 2.85 -1.26 -5.04 115.26 118.32 2bvj n ASN 392 Ca 0.11 0.00 0.11 0.00 -0.11 0.00 0.00 54.58 54.70 2bvj n ASN 392 Cb 0.41 0.00 0.70 0.00 1.24 0.00 0.00 39.78 42.13 2bvj n ASN 392 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 2bvj h PRO 393 N 0.00 0.00 0.00 1.20 0.11 -1.98 -3.13 132.00 128.20 2bvj h PRO 393 Ca 0.00 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 66.03 2bvj h PRO 393 Cb 0.00 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.10 2bvj h PRO 393 CO 0.00 0.12 -0.88 0.52 -0.21 0.00 0.00 178.00 177.55 2bvj h MET 394 N 0.00 0.00 -5.01 1.05 2.86 -1.94 -3.32 114.93 108.56 2bvj h MET 394 Ca -0.00 0.00 -0.42 0.00 -2.06 0.00 0.00 59.70 57.22 2bvj h MET 394 Cb 0.29 0.00 -0.27 0.00 0.06 0.00 0.00 31.60 31.68 2bvj h MET 394 CO 0.02 0.22 -0.79 0.42 1.06 0.00 0.00 176.91 177.83 2bvj s ILE 395 N -3.10 0.90 -0.71 -1.22 1.01 -1.18 -1.15 121.20 115.75 2bvj s ILE 395 Ca 0.01 -0.67 -0.16 0.00 0.00 0.00 0.00 60.65 59.83 2bvj s ILE 395 Cb 0.08 -0.79 0.15 0.00 0.01 0.00 0.00 42.46 41.91 2bvj s ILE 395 CO 0.77 0.12 0.74 -0.13 0.00 0.00 0.00 174.94 176.44 2bvj s ARG 396 N -0.62 3.30 -0.03 2.79 1.81 -0.49 -4.63 118.95 121.08 2bvj s ARG 396 Ca 0.02 -1.87 0.01 0.00 -1.72 0.00 0.00 55.73 52.17 2bvj s ARG 396 Cb -0.06 -4.42 0.02 0.00 -0.45 0.00 0.00 34.95 30.04 2bvj s ARG 396 CO 0.00 -1.44 -0.04 0.20 -0.68 0.00 0.00 175.30 173.34 2bvj s GLY 397 N 3.11 0.36 0.38 -3.53 0.00 -1.26 -4.68 107.32 101.70 2bvj s GLY 397 Ca 0.15 -0.07 -0.16 0.00 0.00 0.00 0.00 44.72 44.64 2bvj s GLY 397 CO -0.02 0.27 0.82 1.08 0.00 0.00 0.00 173.10 175.25 2bvj s LEU 398 N 0.61 3.97 0.09 0.66 1.43 -1.26 -0.05 118.68 124.12 2bvj s LEU 398 Ca -0.07 1.40 0.04 0.00 -1.03 0.00 0.00 54.13 54.46 2bvj s LEU 398 Cb -0.11 -4.24 -0.24 0.00 0.03 0.00 0.00 46.19 41.64 2bvj s LEU 398 CO -0.00 -0.30 1.17 0.11 0.23 0.00 0.00 176.35 177.56 2bvj h LYS 399 N 1.93 0.09 -2.54 1.70 1.57 -1.01 -3.43 116.57 114.88 2bvj h LYS 399 Ca -0.48 -0.15 0.04 0.00 -1.87 0.00 0.00 60.65 58.19 2bvj h LYS 399 Cb 1.18 0.06 -0.14 0.00 0.08 0.00 0.00 32.23 33.40 2bvj h LYS 399 CO 0.64 1.03 0.35 0.00 -0.57 0.00 0.00 179.45 180.90 2bvj s ALA 400 N -2.68 -1.73 -0.47 3.86 0.00 -1.26 -5.00 121.76 114.48 2bvj s ALA 400 Ca -0.01 0.83 0.04 0.00 0.00 0.00 0.00 51.96 52.82 2bvj s ALA 400 Cb 0.09 0.54 0.17 0.00 0.00 0.00 0.00 23.12 23.92 2bvj s ALA 400 CO 0.84 -0.69 0.36 -1.17 0.00 0.00 0.00 175.76 175.11 2bvj s LEU 401 N -2.45 2.18 0.07 0.00 2.96 -1.26 -4.70 118.68 115.48 2bvj s LEU 401 Ca 0.02 -3.19 -0.31 0.00 -0.22 0.00 0.00 54.13 50.44 2bvj s LEU 401 Cb -0.01 -0.72 -0.08 0.00 0.50 0.00 0.00 46.19 45.88 2bvj s LEU 401 CO -0.09 -0.16 1.61 -2.16 -1.32 0.00 0.00 176.35 174.23 2bvj s PRO 402 N -0.22 4.21 0.28 0.98 0.04 -1.26 -0.87 135.00 138.16 2bvj s PRO 402 Ca 0.30 2.29 0.04 0.00 0.04 0.00 0.00 61.00 63.67 2bvj s PRO 402 Cb -0.00 -3.54 -0.06 0.00 0.04 0.00 0.00 34.50 30.94 2bvj s PRO 402 CO -0.17 -0.70 0.01 0.96 0.04 0.00 0.00 177.00 177.14 2bvj s ILE 403 N 2.42 1.22 0.10 0.56 -4.36 0.69 -0.27 121.20 121.57 2bvj s ILE 403 Ca 0.72 -2.04 -0.06 0.00 -0.26 0.00 0.00 60.65 59.00 2bvj s ILE 403 Cb -0.39 -2.53 -0.02 0.00 1.25 0.00 0.00 42.46 40.77 2bvj s ILE 403 CO 0.31 -0.20 0.15 0.00 0.24 0.00 0.00 174.94 175.45 2bvj s ARG 404 N -3.84 0.88 0.00 0.37 1.70 -0.22 -1.99 118.95 115.84 2bvj s ARG 404 Ca 0.32 -1.11 0.13 0.00 -0.47 0.00 0.00 55.73 54.60 2bvj s ARG 404 Cb 0.06 0.31 0.22 0.00 -0.57 0.00 0.00 34.95 34.98 2bvj s ARG 404 CO 0.12 -0.27 1.07 -2.67 -1.08 0.00 0.00 175.30 172.47 2bvj n TRP 405 N -0.06 0.00 -4.37 5.89 2.14 -1.07 -1.31 117.44 118.65 2bvj n TRP 405 Ca -0.12 -0.28 -0.23 0.00 2.07 0.00 0.00 57.50 58.94 2bvj n TRP 405 Cb 0.62 -0.07 -0.13 0.00 -0.81 0.00 0.00 31.31 30.92 2bvj n TRP 405 CO 0.00 0.00 0.00 1.03 2.07 0.00 0.00 177.69 180.79 2bvj s ARG 406 N 0.00 1.12 0.67 -2.67 0.52 -1.26 -4.54 118.95 112.79 2bvj s ARG 406 Ca 0.18 -1.02 -0.11 0.00 -0.52 0.00 0.00 55.73 54.26 2bvj s ARG 406 Cb 0.20 -1.28 0.00 0.00 0.52 0.00 0.00 34.95 34.39 2bvj s ARG 406 CO -0.09 0.31 1.05 1.03 0.02 0.00 0.00 175.30 177.62 2bvj s ARG 407 N -1.59 3.05 0.00 3.54 0.52 -1.26 -5.03 118.95 118.18 2bvj s ARG 407 Ca 0.05 0.47 0.00 0.00 -0.52 0.00 0.00 55.73 55.73 2bvj s ARG 407 Cb -0.09 -2.07 0.00 0.00 0.52 0.00 0.00 34.95 33.30 2bvj s ARG 407 CO 0.03 -0.87 0.00 0.41 0.02 0.00 0.00 175.30 174.89