#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vsh n LEU 55 N 0.00 6.91 -4.87 0.99 4.77 -1.26 -4.97 117.00 118.58 1vsh n LEU 55 Ca 0.00 -3.76 -0.31 0.00 -0.03 0.00 0.00 56.01 51.92 1vsh n LEU 55 Cb 0.00 -1.05 0.02 0.00 -2.33 0.00 0.00 43.42 40.06 1vsh n LEU 55 CO 0.00 1.38 0.73 -0.83 -1.33 0.00 0.00 177.39 177.34 1vsh s GLY 56 N -0.49 1.65 0.67 -0.72 0.00 -1.26 -5.01 107.32 102.15 1vsh s GLY 56 Ca 0.45 -0.16 -0.17 0.00 0.00 0.00 0.00 44.72 44.84 1vsh s GLY 56 CO -0.05 0.14 -0.03 -1.05 0.00 0.00 0.00 173.10 172.12 1vsh n PRO 57 N -2.86 0.12 -2.82 2.90 -0.02 -1.26 -4.95 135.00 126.11 1vsh n PRO 57 Ca 0.06 0.05 -0.40 0.00 -2.02 0.00 0.00 63.50 61.20 1vsh n PRO 57 Cb 0.55 -1.28 -0.05 0.00 -0.02 0.00 0.00 33.50 32.70 1vsh n PRO 57 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1vsh s LEU 58 N 3.85 4.57 -1.33 2.45 1.43 -1.26 -4.97 118.68 123.42 1vsh s LEU 58 Ca 0.57 1.78 -0.12 0.00 -1.03 0.00 0.00 54.13 55.33 1vsh s LEU 58 Cb -0.39 -3.49 0.12 0.00 0.03 0.00 0.00 46.19 42.46 1vsh s LEU 58 CO 0.66 0.08 1.93 0.00 0.23 0.00 0.00 176.35 179.26 1vsh n GLN 59 N 2.06 3.33 -5.14 1.70 3.00 -1.26 -4.11 117.38 116.96 1vsh n GLN 59 Ca -0.02 -3.26 -0.31 0.00 -0.01 0.00 0.00 57.00 53.41 1vsh n GLN 59 Cb 0.48 -3.09 -0.17 0.00 0.00 0.00 0.00 30.24 27.47 1vsh n GLN 59 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.06 177.48 1vsh s ILE 60 N 1.63 1.92 0.16 5.09 1.01 -1.26 -1.21 121.20 128.53 1vsh s ILE 60 Ca 0.43 -0.96 0.08 0.00 0.00 0.00 0.00 60.65 60.20 1vsh s ILE 60 Cb 0.09 -1.65 -0.04 0.00 0.01 0.00 0.00 42.46 40.88 1vsh s ILE 60 CO -0.02 0.53 -0.05 0.26 0.00 0.00 0.00 174.94 175.66 1vsh s TRP 61 N 0.17 2.76 -0.10 3.97 0.51 -0.47 -1.01 118.94 124.77 1vsh s TRP 61 Ca -0.12 -0.16 0.03 0.00 -2.12 0.00 0.00 56.10 53.72 1vsh s TRP 61 Cb -0.16 -1.37 -0.01 0.00 -0.81 0.00 0.00 33.47 31.12 1vsh s TRP 61 CO 0.06 0.49 -0.19 -0.65 -0.51 0.00 0.00 176.95 176.16 1vsh s GLN 62 N -2.72 3.06 0.04 4.98 -0.21 -0.70 0.61 119.66 124.73 1vsh s GLN 62 Ca 0.25 -0.79 0.05 0.00 0.02 0.00 0.00 55.36 54.89 1vsh s GLN 62 Cb -0.10 -2.42 -0.02 0.00 1.00 0.00 0.00 33.01 31.47 1vsh s GLN 62 CO 0.16 0.27 -0.14 0.99 -2.12 0.00 0.00 175.29 174.45 1vsh s THR 63 N 0.17 1.10 0.20 -0.19 2.01 -0.58 -1.82 115.64 116.53 1vsh s THR 63 Ca -0.11 -1.03 -0.19 0.00 0.31 0.00 0.00 61.69 60.67 1vsh s THR 63 Cb -0.16 -1.01 0.03 0.00 0.01 0.00 0.00 72.50 71.38 1vsh s THR 63 CO 0.06 -0.03 0.57 -0.62 -0.69 0.00 0.00 174.62 173.92 1vsh s ASP 64 N -1.21 -0.31 -0.03 3.53 2.15 -0.23 -4.49 116.67 116.08 1vsh s ASP 64 Ca 0.01 -0.42 0.04 0.00 0.43 0.00 0.00 52.55 52.61 1vsh s ASP 64 Cb -0.08 0.61 -0.03 0.00 -0.30 0.00 0.00 42.92 43.12 1vsh s ASP 64 CO 0.01 -1.09 -0.15 -0.36 -0.17 0.00 0.00 175.17 173.41 1vsh s PHE 65 N -3.86 2.66 -0.00 -5.34 0.08 -1.26 -1.32 117.98 108.94 1vsh s PHE 65 Ca 0.08 -0.19 0.01 0.00 0.12 0.00 0.00 56.93 56.96 1vsh s PHE 65 Cb -0.02 -1.59 -0.00 0.00 -0.57 0.00 0.00 43.02 40.84 1vsh s PHE 65 CO -0.03 0.19 -0.04 -0.08 -0.10 0.00 0.00 175.22 175.17 1vsh s THR 66 N -0.77 0.29 0.00 0.64 -1.32 0.19 -4.97 115.64 109.71 1vsh s THR 66 Ca 0.12 -0.15 -0.22 0.00 -1.21 0.00 0.00 61.69 60.24 1vsh s THR 66 Cb -0.11 -0.25 -0.05 0.00 -1.51 0.00 0.00 72.50 70.58 1vsh s THR 66 CO 0.02 0.09 0.64 -0.22 -2.21 0.00 0.00 174.62 172.93 1vsh s LEU 67 N -0.03 4.42 -0.34 9.08 2.96 -1.26 -0.82 118.68 132.68 1vsh s LEU 67 Ca 0.01 1.23 -0.01 0.00 -0.22 0.00 0.00 54.13 55.14 1vsh s LEU 67 Cb -0.02 -3.00 0.12 0.00 0.50 0.00 0.00 46.19 43.79 1vsh s LEU 67 CO -0.00 0.07 0.16 -0.70 -1.32 0.00 0.00 176.35 174.56 1vsh s GLU 68 N -0.12 0.66 0.64 1.98 2.56 0.89 -4.96 118.70 120.36 1vsh s GLU 68 Ca 0.33 -1.20 0.32 0.00 0.00 0.00 0.00 54.97 54.42 1vsh s GLU 68 Cb -0.19 -1.69 1.76 0.00 2.00 0.00 0.00 34.13 36.01 1vsh s GLU 68 CO 0.19 -1.09 2.04 -1.35 -0.56 0.00 0.00 175.26 174.48 1vsh h PRO 69 N 7.61 0.00 0.00 4.30 0.11 -1.97 -1.27 132.00 140.79 1vsh h PRO 69 Ca -0.07 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.04 1vsh h PRO 69 Cb 0.98 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.09 1vsh h PRO 69 CO 0.41 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.20 1vsh h ARG 70 N 0.00 0.00 -0.69 1.05 3.08 -1.93 -2.37 114.38 113.51 1vsh h ARG 70 Ca 0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.10 1vsh h ARG 70 Cb 0.58 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.63 1vsh h ARG 70 CO -0.00 0.00 0.00 -1.33 -1.07 0.00 0.00 179.97 177.57 1vsh n MET 71 N -2.95 3.29 -1.95 0.04 2.81 -0.48 -0.97 117.12 116.91 1vsh n MET 71 Ca 0.00 -2.80 -0.39 0.00 -1.81 0.00 0.00 57.70 52.70 1vsh n MET 71 Cb 0.25 -1.75 0.01 0.00 -0.71 0.00 0.00 33.22 31.02 1vsh n MET 71 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1vsh s ALA 72 N -1.46 3.10 -0.54 3.04 0.00 -0.89 -1.91 121.76 123.10 1vsh s ALA 72 Ca 0.51 1.28 0.26 0.00 0.00 0.00 0.00 51.96 54.00 1vsh s ALA 72 Cb 0.30 -3.52 0.83 0.00 0.00 0.00 0.00 23.12 20.73 1vsh s ALA 72 CO 0.29 -1.04 1.75 -1.00 0.00 0.00 0.00 175.76 175.76 1vsh h PRO 73 N 2.18 0.00 -2.97 0.00 0.13 -1.94 -3.45 132.00 125.95 1vsh h PRO 73 Ca -0.50 0.00 -0.79 0.00 -0.87 0.00 0.00 66.00 63.84 1vsh h PRO 73 Cb 1.27 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 32.17 1vsh h PRO 73 CO 0.60 0.00 1.37 0.54 -0.23 0.00 0.00 178.00 180.28 1vsh n ARG 74 N -2.48 4.38 0.00 0.86 1.74 -0.80 -4.63 116.66 115.72 1vsh n ARG 74 Ca 0.04 -4.15 0.14 0.00 -0.77 0.00 0.00 57.85 53.11 1vsh n ARG 74 Cb 0.38 -2.64 0.54 0.00 -1.02 0.00 0.00 32.46 29.72 1vsh n ARG 74 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1vsh n SER 75 N 1.93 0.30 -4.63 0.55 3.41 -1.16 -4.04 113.62 109.98 1vsh n SER 75 Ca 0.37 -0.14 -0.41 0.00 -0.26 0.00 0.00 58.87 58.42 1vsh n SER 75 Cb 0.32 -0.15 -0.06 0.00 -0.26 0.00 0.00 64.21 64.07 1vsh n SER 75 CO 0.00 0.00 0.00 0.26 -0.16 0.00 0.00 175.04 175.14 1vsh s TRP 76 N -2.76 3.29 -0.20 7.33 0.52 -0.90 -0.08 118.94 126.15 1vsh s TRP 76 Ca 0.20 0.92 -0.09 0.00 0.02 0.00 0.00 56.10 57.15 1vsh s TRP 76 Cb 0.19 -2.93 -0.05 0.00 -1.15 0.00 0.00 33.47 29.54 1vsh s TRP 76 CO 0.54 -0.36 0.11 -0.51 0.02 0.00 0.00 176.95 176.75 1vsh s LEU 77 N 2.64 4.05 -0.22 2.99 1.43 -0.00 -1.08 118.68 128.48 1vsh s LEU 77 Ca 0.29 0.15 -0.12 0.00 -1.03 0.00 0.00 54.13 53.43 1vsh s LEU 77 Cb -0.15 -2.05 -0.05 0.00 0.03 0.00 0.00 46.19 43.97 1vsh s LEU 77 CO 0.08 0.15 0.20 0.00 0.23 0.00 0.00 176.35 177.02 1vsh s ALA 78 N 0.51 3.61 -0.07 4.21 0.00 0.05 -0.63 121.76 129.44 1vsh s ALA 78 Ca 0.06 -0.76 0.03 0.00 0.00 0.00 0.00 51.96 51.29 1vsh s ALA 78 Cb -0.12 -2.35 0.01 0.00 0.00 0.00 0.00 23.12 20.65 1vsh s ALA 78 CO -0.00 -0.13 -0.16 0.08 0.00 0.00 0.00 175.76 175.55 1vsh s VAL 79 N 0.94 1.38 -0.06 0.00 1.01 -0.43 -1.81 120.40 121.44 1vsh s VAL 79 Ca 0.10 -0.64 0.04 0.00 0.00 0.00 0.00 61.98 61.49 1vsh s VAL 79 Cb -0.13 -1.23 -0.00 0.00 0.00 0.00 0.00 36.38 35.02 1vsh s VAL 79 CO 0.04 0.41 -0.19 -0.89 0.00 0.00 0.00 175.10 174.47 1vsh s THR 80 N 0.47 1.58 -0.19 3.92 2.01 -0.27 -1.07 115.64 122.08 1vsh s THR 80 Ca -0.13 -0.78 -0.03 0.00 0.31 0.00 0.00 61.69 61.06 1vsh s THR 80 Cb -0.15 -1.36 -0.01 0.00 0.01 0.00 0.00 72.50 70.98 1vsh s THR 80 CO 0.05 0.45 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.67 1vsh s VAL 81 N 0.14 3.29 -0.35 3.82 1.01 -0.76 -0.74 120.40 126.80 1vsh s VAL 81 Ca -0.07 -0.54 -0.29 0.00 0.00 0.00 0.00 61.98 61.08 1vsh s VAL 81 Cb -0.13 -2.46 0.01 0.00 0.00 0.00 0.00 36.38 33.80 1vsh s VAL 81 CO 0.04 0.46 1.28 -0.62 0.00 0.00 0.00 175.10 176.25 1vsh s ASP 82 N 1.08 6.62 0.46 3.32 -1.08 -0.73 -1.72 116.67 124.62 1vsh s ASP 82 Ca 0.01 1.00 0.31 0.00 -0.52 0.00 0.00 52.55 53.34 1vsh s ASP 82 Cb -0.15 -2.54 1.41 0.00 -1.46 0.00 0.00 42.92 40.18 1vsh s ASP 82 CO -0.01 -1.16 1.93 0.71 0.52 0.00 0.00 175.17 177.16 1vsh h THR 83 N 6.09 0.00 0.00 1.71 1.35 -1.40 -0.80 112.91 119.86 1vsh h THR 83 Ca -0.25 -0.29 -0.11 0.00 -0.55 0.00 0.00 66.41 65.21 1vsh h THR 83 Cb 1.09 1.15 -0.02 0.00 -1.73 0.00 0.00 68.15 68.65 1vsh h THR 83 CO 1.06 0.00 -0.51 0.00 -0.25 0.00 0.00 175.52 175.82 1vsh h ALA 84 N 2.08 0.92 0.00 6.62 0.00 -1.73 -3.37 119.26 123.77 1vsh h ALA 84 Ca 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1vsh h ALA 84 Cb 0.33 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1vsh h ALA 84 CO 0.00 0.63 -0.08 -1.13 0.00 0.00 0.00 179.25 178.67 1vsh n SER 85 N -3.58 0.40 -0.04 0.00 3.41 -1.17 -4.93 113.62 107.72 1vsh n SER 85 Ca -0.00 -0.23 -0.01 0.00 -0.26 0.00 0.00 58.87 58.37 1vsh n SER 85 Cb 0.59 0.54 -0.00 0.00 -0.26 0.00 0.00 64.21 65.08 1vsh n SER 85 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1vsh n SER 86 N -0.58 -4.18 -4.75 4.04 7.64 -0.32 -5.00 113.62 110.48 1vsh n SER 86 Ca 0.00 0.01 -0.37 0.00 1.01 0.00 0.00 58.87 59.53 1vsh n SER 86 Cb 0.00 -1.73 0.04 0.00 -1.01 0.00 0.00 64.21 61.51 1vsh n SER 86 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1vsh s ALA 87 N -1.65 2.54 -0.00 -0.43 0.00 -1.25 -4.73 121.76 116.23 1vsh s ALA 87 Ca 0.00 1.10 0.07 0.00 0.00 0.00 0.00 51.96 53.13 1vsh s ALA 87 Cb 0.00 -3.49 -0.02 0.00 0.00 0.00 0.00 23.12 19.61 1vsh s ALA 87 CO 0.00 -1.28 -0.21 0.42 0.00 0.00 0.00 175.76 174.68 1vsh s ILE 88 N -1.50 1.68 -0.06 0.00 1.01 -1.26 -1.77 121.20 119.29 1vsh s ILE 88 Ca 0.78 -0.96 0.03 0.00 0.00 0.00 0.00 60.65 60.50 1vsh s ILE 88 Cb -0.33 -1.41 0.01 0.00 0.01 0.00 0.00 42.46 40.74 1vsh s ILE 88 CO 0.36 0.42 -0.16 -0.69 0.00 0.00 0.00 174.94 174.88 1vsh s VAL 89 N -0.55 1.39 0.08 2.92 1.01 0.08 -4.96 120.40 120.37 1vsh s VAL 89 Ca 0.08 -0.65 0.06 0.00 0.00 0.00 0.00 61.98 61.48 1vsh s VAL 89 Cb -0.08 -1.23 -0.03 0.00 0.00 0.00 0.00 36.38 35.04 1vsh s VAL 89 CO -0.00 0.41 -0.17 -0.69 0.00 0.00 0.00 175.10 174.65 1vsh s VAL 90 N 0.41 1.34 0.04 2.92 1.01 -1.26 -1.12 120.40 123.75 1vsh s VAL 90 Ca -0.12 -1.40 -0.03 0.00 0.00 0.00 0.00 61.98 60.43 1vsh s VAL 90 Cb -0.15 -1.26 -0.02 0.00 0.00 0.00 0.00 36.38 34.95 1vsh s VAL 90 CO 0.04 -0.16 0.04 0.42 0.00 0.00 0.00 175.10 175.44 1vsh s THR 91 N -1.23 0.15 0.08 3.92 -4.23 -0.75 -4.98 115.64 108.61 1vsh s THR 91 Ca 0.01 -1.25 0.05 0.00 -1.18 0.00 0.00 61.69 59.32 1vsh s THR 91 Cb -0.10 -0.94 -0.04 0.00 1.34 0.00 0.00 72.50 72.76 1vsh s THR 91 CO 0.03 -0.69 -0.03 -1.10 -0.54 0.00 0.00 174.62 172.29 1vsh s GLN 92 N -2.75 2.46 0.02 3.99 -0.21 -1.26 -0.77 119.66 121.14 1vsh s GLN 92 Ca -0.04 -0.86 -0.07 0.00 0.02 0.00 0.00 55.36 54.41 1vsh s GLN 92 Cb -0.00 -2.49 -0.00 0.00 1.00 0.00 0.00 33.01 31.51 1vsh s GLN 92 CO -0.05 0.54 0.12 -1.01 -2.12 0.00 0.00 175.29 172.77 1vsh s HIS 93 N -1.26 0.11 -0.26 0.91 3.76 -0.24 -4.98 115.29 113.33 1vsh s HIS 93 Ca 0.24 -0.30 0.18 0.00 -0.15 0.00 0.00 55.06 55.04 1vsh s HIS 93 Cb -0.11 -0.08 0.14 0.00 1.11 0.00 0.00 32.58 33.63 1vsh s HIS 93 CO 0.16 -0.33 1.43 0.78 -0.85 0.00 0.00 174.74 175.94 1vsh h GLY 94 N 3.98 0.00 -3.67 -2.22 0.00 -1.85 -2.35 103.07 96.95 1vsh h GLY 94 Ca -0.32 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 46.94 1vsh h GLY 94 CO 0.45 0.00 -0.14 -1.60 0.00 0.00 0.00 176.54 175.25 1vsh s ARG 95 N -3.07 0.91 -0.43 4.80 3.00 -1.26 -4.78 118.95 118.12 1vsh s ARG 95 Ca 0.04 -0.46 -0.18 0.00 -1.00 0.00 0.00 55.73 54.14 1vsh s ARG 95 Cb 0.07 0.40 0.03 0.00 0.00 0.00 0.00 34.95 35.45 1vsh s ARG 95 CO 0.73 -0.31 0.47 0.14 0.00 0.00 0.00 175.30 176.33 1vsh s VAL 96 N -2.69 5.05 0.38 7.11 -7.23 -1.26 -4.76 120.40 117.00 1vsh s VAL 96 Ca -0.04 -0.35 0.04 0.00 -1.81 0.00 0.00 61.98 59.82 1vsh s VAL 96 Cb -0.00 -4.08 -0.03 0.00 0.56 0.00 0.00 36.38 32.82 1vsh s VAL 96 CO -0.04 -0.48 0.15 0.42 -0.31 0.00 0.00 175.10 174.83 1vsh s THR 97 N 2.23 0.52 0.24 5.32 -4.23 -1.26 -4.99 115.64 113.46 1vsh s THR 97 Ca 0.13 -2.00 -0.04 0.00 -1.18 0.00 0.00 61.69 58.60 1vsh s THR 97 Cb -0.17 -2.42 0.12 0.00 1.34 0.00 0.00 72.50 71.38 1vsh s THR 97 CO 0.14 0.00 1.76 0.28 -0.54 0.00 0.00 174.62 176.26 1vsh h SER 98 N 1.91 0.87 -0.28 3.99 0.02 -1.95 -2.39 113.55 115.72 1vsh h SER 98 Ca -0.34 -0.19 -0.10 0.00 -0.84 0.00 0.00 61.79 60.32 1vsh h SER 98 Cb 1.26 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 63.56 1vsh h SER 98 CO 0.54 0.88 -0.15 0.58 -1.14 0.00 0.00 176.83 177.55 1vsh h VAL 99 N 0.86 1.26 -0.86 2.27 2.07 -1.98 -1.89 116.25 117.98 1vsh h VAL 99 Ca 0.18 -1.20 -0.02 0.00 0.82 0.00 0.00 66.70 66.48 1vsh h VAL 99 Cb 0.40 1.12 -0.04 0.00 -1.52 0.00 0.00 31.29 31.25 1vsh h VAL 99 CO 0.01 0.40 0.45 0.00 0.02 0.00 0.00 177.57 178.45 1vsh h ALA 100 N 1.20 1.17 -0.62 1.67 0.00 -1.73 -0.50 119.26 120.46 1vsh h ALA 100 Ca 0.10 -0.14 -0.08 0.00 0.00 0.00 0.00 54.91 54.79 1vsh h ALA 100 Cb 0.61 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1vsh h ALA 100 CO 0.04 0.65 0.06 0.00 0.00 0.00 0.00 179.25 180.01 1vsh h ALA 101 N 1.28 0.83 -0.44 0.00 0.00 -1.38 -0.87 119.26 118.67 1vsh h ALA 101 Ca 0.30 -0.28 -0.12 0.00 0.00 0.00 0.00 54.91 54.81 1vsh h ALA 101 Cb 0.06 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1vsh h ALA 101 CO -0.04 0.62 -0.21 1.96 0.00 0.00 0.00 179.25 181.58 1vsh h GLN 102 N 0.96 0.89 -0.31 0.00 4.20 -0.82 -0.14 115.11 119.89 1vsh h GLN 102 Ca 0.18 -0.36 -0.02 0.00 0.06 0.00 0.00 58.65 58.51 1vsh h GLN 102 Cb 0.48 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.21 1vsh h GLN 102 CO 0.02 1.01 0.13 0.45 -0.67 0.00 0.00 178.83 179.77 1vsh h HIS 103 N 0.78 0.46 -0.05 2.96 3.86 -0.90 -0.09 115.15 122.17 1vsh h HIS 103 Ca 0.11 -0.03 0.02 0.00 -1.16 0.00 0.00 60.37 59.30 1vsh h HIS 103 Cb 0.75 -0.14 -0.02 0.00 1.06 0.00 0.00 27.41 29.06 1vsh h HIS 103 CO 0.04 0.44 -0.07 1.25 0.86 0.00 0.00 177.93 180.45 1vsh h HIS 104 N 0.35 -0.18 0.00 2.45 -0.00 -0.95 -2.73 115.15 114.10 1vsh h HIS 104 Ca 0.10 0.01 -0.08 0.00 -0.00 0.00 0.00 60.37 60.41 1vsh h HIS 104 Cb 0.17 0.09 -0.01 0.00 -0.00 0.00 0.00 27.41 27.65 1vsh h HIS 104 CO -0.01 -0.11 -0.36 -1.49 -0.00 0.00 0.00 177.93 175.96 1vsh h TRP 105 N -0.10 0.00 -0.72 5.26 6.55 -0.79 -1.43 115.95 124.72 1vsh h TRP 105 Ca 0.05 0.00 -0.01 0.00 0.95 0.00 0.00 58.89 59.88 1vsh h TRP 105 Cb 0.17 0.00 -0.03 0.00 -0.86 0.00 0.00 29.16 28.43 1vsh h TRP 105 CO -0.16 0.36 0.41 0.00 -1.05 0.00 0.00 178.44 178.00 1vsh h ALA 106 N 1.64 0.92 -0.29 1.49 0.00 -0.82 0.20 119.26 122.41 1vsh h ALA 106 Ca -0.00 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 1vsh h ALA 106 Cb 0.69 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1vsh h ALA 106 CO 0.05 0.42 0.09 1.15 0.00 0.00 0.00 179.25 180.96 1vsh h THR 107 N 0.99 1.20 -0.93 0.00 2.02 -1.17 -2.26 112.91 112.76 1vsh h THR 107 Ca 0.26 -0.62 0.02 0.00 0.77 0.00 0.00 66.41 66.83 1vsh h THR 107 Cb 0.01 1.07 -0.05 0.00 -1.74 0.00 0.00 68.15 67.44 1vsh h THR 107 CO -0.04 0.21 0.61 0.00 0.37 0.00 0.00 175.52 176.67 1vsh h ALA 108 N 0.93 1.37 -0.72 6.16 0.00 -0.80 -1.07 119.26 125.13 1vsh h ALA 108 Ca 0.09 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 1vsh h ALA 108 Cb 0.23 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 1vsh h ALA 108 CO -0.00 0.56 0.23 0.82 0.00 0.00 0.00 179.25 180.86 1vsh h ILE 109 N 1.21 1.26 0.00 0.00 2.04 -0.51 0.47 117.51 121.98 1vsh h ILE 109 Ca 0.35 -0.88 -0.06 0.00 1.00 0.00 0.00 64.86 65.28 1vsh h ILE 109 Cb -0.07 0.47 -0.01 0.00 -0.74 0.00 0.00 36.82 36.48 1vsh h ILE 109 CO -0.09 0.35 -0.28 0.00 0.00 0.00 0.00 178.15 178.12 1vsh h ALA 110 N 1.11 1.48 0.13 1.87 0.00 -0.78 -0.45 119.26 122.63 1vsh h ALA 110 Ca 0.23 -0.26 -0.34 0.00 0.00 0.00 0.00 54.91 54.54 1vsh h ALA 110 Cb 0.29 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1vsh h ALA 110 CO -0.01 0.35 -1.82 0.28 0.00 0.00 0.00 179.25 178.05 1vsh h VAL 111 N 0.00 0.77 -0.00 0.00 2.07 -0.24 -3.41 116.25 115.44 1vsh h VAL 111 Ca -0.00 -2.38 0.00 0.00 0.82 0.00 0.00 66.70 65.14 1vsh h VAL 111 Cb 0.51 2.58 0.00 0.00 -1.52 0.00 0.00 31.29 32.86 1vsh h VAL 111 CO 0.04 0.83 -0.50 0.18 0.02 0.00 0.00 177.57 178.13 1vsh n LEU 112 N -3.63 0.70 0.00 2.57 4.77 0.15 -5.09 117.00 116.48 1vsh n LEU 112 Ca -0.29 -0.55 0.00 0.00 -0.03 0.00 0.00 56.01 55.14 1vsh n LEU 112 Cb 1.01 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.10 1vsh n LEU 112 CO 0.43 0.16 0.00 0.61 -1.33 0.00 0.00 177.39 177.27 1vsh n GLY 113 N 1.23 -0.26 3.69 -0.72 0.00 -0.18 -4.91 105.19 104.04 1vsh n GLY 113 Ca 0.03 -1.87 -0.41 0.00 0.00 0.00 0.00 46.02 43.76 1vsh n GLY 113 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1vsh s ARG 114 N -1.08 4.38 0.75 1.61 3.52 -1.26 -4.43 118.95 122.43 1vsh s ARG 114 Ca 0.00 1.08 -0.08 0.00 -0.13 0.00 0.00 55.73 56.61 1vsh s ARG 114 Cb 0.00 -3.53 0.08 0.00 -1.56 0.00 0.00 34.95 29.95 1vsh s ARG 114 CO 0.00 -0.20 1.07 -1.25 -0.81 0.00 0.00 175.30 174.11 1vsh s PRO 115 N 1.68 1.95 0.01 5.12 0.04 -1.26 -4.97 135.00 137.56 1vsh s PRO 115 Ca 0.41 -0.29 0.10 0.00 0.04 0.00 0.00 61.00 61.27 1vsh s PRO 115 Cb -0.18 -2.12 -0.23 0.00 0.04 0.00 0.00 34.50 32.02 1vsh s PRO 115 CO 0.16 -1.44 0.86 0.87 0.04 0.00 0.00 177.00 177.49 1vsh h LYS 116 N -0.78 0.01 -3.00 4.56 1.79 -1.53 -3.45 116.57 114.17 1vsh h LYS 116 Ca -0.44 -0.01 -0.04 0.00 -2.18 0.00 0.00 60.65 57.98 1vsh h LYS 116 Cb 1.30 0.00 -0.14 0.00 -1.58 0.00 0.00 32.23 31.82 1vsh h LYS 116 CO 0.57 0.67 0.09 0.00 -1.08 0.00 0.00 179.45 179.69 1vsh s ALA 117 N -2.63 -1.35 -0.02 3.86 0.00 -1.16 -2.03 121.76 118.43 1vsh s ALA 117 Ca -0.03 0.41 0.04 0.00 0.00 0.00 0.00 51.96 52.38 1vsh s ALA 117 Cb 0.09 0.66 -0.01 0.00 0.00 0.00 0.00 23.12 23.86 1vsh s ALA 117 CO 0.82 -0.65 -0.13 0.42 0.00 0.00 0.00 175.76 176.23 1vsh s ILE 118 N -3.30 1.06 -0.17 0.00 1.01 0.82 -1.37 121.20 119.25 1vsh s ILE 118 Ca -0.01 -0.56 -0.03 0.00 0.00 0.00 0.00 60.65 60.06 1vsh s ILE 118 Cb -0.00 -0.89 -0.02 0.00 0.01 0.00 0.00 42.46 41.56 1vsh s ILE 118 CO -0.09 0.30 -0.06 -0.75 0.00 0.00 0.00 174.94 174.35 1vsh s LYS 119 N -0.20 3.53 0.31 2.79 2.20 0.20 -2.31 119.74 126.25 1vsh s LYS 119 Ca 0.03 -0.59 0.03 0.00 -0.36 0.00 0.00 55.97 55.08 1vsh s LYS 119 Cb -0.06 -2.87 -0.05 0.00 -1.51 0.00 0.00 37.83 33.33 1vsh s LYS 119 CO -0.00 0.12 0.09 0.95 -0.36 0.00 0.00 175.35 176.15 1vsh s THR 120 N 0.65 0.83 0.21 3.43 -4.23 -0.78 -1.53 115.64 114.22 1vsh s THR 120 Ca -0.04 -2.00 -0.03 0.00 -1.18 0.00 0.00 61.69 58.45 1vsh s THR 120 Cb -0.15 -2.67 0.05 0.00 1.34 0.00 0.00 72.50 71.07 1vsh s THR 120 CO 0.02 0.00 0.29 -0.90 -0.54 0.00 0.00 174.62 173.50 1vsh n ASP 121 N -0.68 0.14 -1.53 3.99 5.68 -1.26 -3.96 116.55 118.93 1vsh n ASP 121 Ca -0.02 -1.18 -0.03 0.00 -0.50 0.00 0.00 54.79 53.07 1vsh n ASP 121 Cb 0.66 -0.21 0.20 0.00 -1.14 0.00 0.00 41.12 40.63 1vsh n ASP 121 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 1vsh n ASN 122 N -3.12 3.76 -4.62 -1.12 4.13 -1.26 -4.84 115.26 108.18 1vsh n ASN 122 Ca 0.04 -2.75 -0.45 0.00 1.68 0.00 0.00 54.58 53.11 1vsh n ASN 122 Cb 0.14 -0.65 -0.02 0.00 -1.54 0.00 0.00 39.78 37.71 1vsh n ASN 122 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1vsh n GLY 123 N 0.03 0.13 2.63 7.41 0.00 -1.26 -4.81 105.19 109.31 1vsh n GLY 123 Ca 0.25 0.38 -0.00 0.00 0.00 0.00 0.00 46.02 46.65 1vsh n GLY 123 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1vsh n SER 124 N 1.38 0.15 0.00 1.61 3.41 -1.26 -3.20 113.62 115.71 1vsh n SER 124 Ca 0.10 -1.66 0.00 0.00 -0.26 0.00 0.00 58.87 57.04 1vsh n SER 124 Cb 0.32 -0.17 0.00 0.00 -0.26 0.00 0.00 64.21 64.09 1vsh n SER 124 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1vsh n PHE 126 N 3.55 0.00 0.22 7.33 3.72 -1.26 -1.74 117.46 129.28 1vsh n PHE 126 Ca 0.01 0.00 0.03 0.00 -0.05 0.00 0.00 57.45 57.45 1vsh n PHE 126 Cb 0.02 0.00 0.04 0.00 -0.94 0.00 0.00 39.48 38.59 1vsh n PHE 126 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 1vsh n THR 127 N 0.00 0.15 -0.99 4.37 -2.24 -1.19 -4.67 114.28 109.71 1vsh n THR 127 Ca 0.00 -0.57 -0.29 0.00 -2.27 0.00 0.00 64.05 60.92 1vsh n THR 127 Cb 0.00 1.04 0.21 0.00 -2.10 0.00 0.00 70.33 69.48 1vsh n THR 127 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1vsh s SER 128 N -0.61 1.70 0.22 3.42 1.04 -0.71 -4.78 113.70 113.97 1vsh s SER 128 Ca 0.09 1.10 -0.06 0.00 0.48 0.00 0.00 55.95 57.56 1vsh s SER 128 Cb 0.06 -1.70 0.19 0.00 0.10 0.00 0.00 66.02 64.67 1vsh s SER 128 CO 0.08 -3.69 1.73 0.11 0.98 0.00 0.00 173.24 172.45 1vsh h LYS 129 N -2.28 1.03 -0.41 4.02 1.79 -1.95 -1.41 116.57 117.36 1vsh h LYS 129 Ca -0.54 -0.26 0.03 0.00 -2.18 0.00 0.00 60.65 57.70 1vsh h LYS 129 Cb 1.33 -0.13 -0.03 0.00 -1.58 0.00 0.00 32.23 31.81 1vsh h LYS 129 CO 0.51 0.94 0.21 1.03 -1.08 0.00 0.00 179.45 181.06 1vsh h SER 130 N 0.97 0.31 -0.26 0.86 0.87 -1.99 0.12 113.55 114.43 1vsh h SER 130 Ca 0.20 0.02 -0.07 0.00 -1.23 0.00 0.00 61.79 60.70 1vsh h SER 130 Cb 0.40 -0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 62.31 1vsh h SER 130 CO 0.01 0.22 -0.12 0.74 -0.53 0.00 0.00 176.83 177.15 1vsh h THR 131 N 0.42 1.30 -0.89 2.23 2.02 -1.86 -1.74 112.91 114.39 1vsh h THR 131 Ca 0.17 -1.19 0.05 0.00 0.77 0.00 0.00 66.41 66.20 1vsh h THR 131 Cb 0.07 1.52 -0.06 0.00 -1.74 0.00 0.00 68.15 67.94 1vsh h THR 131 CO -0.11 0.38 0.57 0.03 0.37 0.00 0.00 175.52 176.75 1vsh h ARG 132 N 0.28 1.04 -0.25 6.66 3.08 -0.98 -2.01 114.38 122.20 1vsh h ARG 132 Ca 0.06 -0.06 -0.13 0.00 0.07 0.00 0.00 59.98 59.92 1vsh h ARG 132 Cb 0.62 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 30.43 1vsh h ARG 132 CO 0.04 0.69 -0.38 1.49 -1.07 0.00 0.00 179.97 180.73 1vsh h GLU 133 N 1.07 0.58 -0.48 0.04 4.57 -0.61 -1.30 114.58 118.45 1vsh h GLU 133 Ca 0.37 -0.29 -0.02 0.00 -1.18 0.00 0.00 59.36 58.24 1vsh h GLU 133 Cb 0.08 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.65 1vsh h GLU 133 CO -0.14 0.87 0.22 2.35 -1.18 0.00 0.00 179.01 181.13 1vsh h TRP 134 N 0.48 0.71 -0.43 0.92 7.01 -0.78 -0.68 115.95 123.17 1vsh h TRP 134 Ca 0.04 -0.04 -0.11 0.00 2.11 0.00 0.00 58.89 60.89 1vsh h TRP 134 Cb 0.88 -0.22 -0.02 0.00 -2.10 0.00 0.00 29.16 27.71 1vsh h TRP 134 CO 0.04 0.58 -0.17 -0.07 -2.79 0.00 0.00 178.44 176.02 1vsh h LEU 135 N 0.63 0.84 -0.38 0.65 3.38 -1.31 -2.44 115.31 116.69 1vsh h LEU 135 Ca 0.16 -0.29 -0.11 0.00 0.09 0.00 0.00 57.88 57.74 1vsh h LEU 135 Cb 0.15 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 1vsh h LEU 135 CO -0.02 1.00 -0.18 0.00 0.09 0.00 0.00 178.44 179.33 1vsh h ALA 136 N 1.06 0.53 -0.62 1.53 0.00 -0.92 -0.66 119.26 120.19 1vsh h ALA 136 Ca 0.11 -0.36 0.08 0.00 0.00 0.00 0.00 54.91 54.74 1vsh h ALA 136 Cb 0.69 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.31 1vsh h ALA 136 CO 0.05 0.47 0.41 -0.09 0.00 0.00 0.00 179.25 180.09 1vsh h ARG 137 N 0.58 0.53 0.00 0.00 2.43 -0.94 -1.61 114.38 115.38 1vsh h ARG 137 Ca 0.08 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.22 1vsh h ARG 137 Cb 0.73 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 30.16 1vsh h ARG 137 CO 0.05 0.35 -0.27 0.91 -1.51 0.00 0.00 179.97 179.50 1vsh n TRP 138 N -4.48 0.20 -1.19 2.20 7.02 -0.78 -4.94 117.44 115.46 1vsh n TRP 138 Ca 0.09 0.06 -0.02 0.00 -1.02 0.00 0.00 57.50 56.61 1vsh n TRP 138 Cb 0.28 -0.49 -0.01 0.00 -2.42 0.00 0.00 31.31 28.68 1vsh n TRP 138 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1vsh n GLY 139 N 1.45 0.48 3.73 6.99 0.00 -0.55 -5.03 105.19 112.26 1vsh n GLY 139 Ca 0.06 -0.99 -0.35 0.00 0.00 0.00 0.00 46.02 44.74 1vsh n GLY 139 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1vsh s ILE 140 N -2.06 5.39 0.43 -0.61 1.01 -0.36 -4.96 121.20 120.03 1vsh s ILE 140 Ca 0.00 0.24 -0.20 0.00 0.00 0.00 0.00 60.65 60.69 1vsh s ILE 140 Cb 0.00 -3.49 -0.11 0.00 0.01 0.00 0.00 42.46 38.87 1vsh s ILE 140 CO 0.00 0.43 0.94 0.00 0.00 0.00 0.00 174.94 176.31 1vsh s ALA 141 N 0.39 3.06 0.00 9.38 0.00 -0.86 -4.48 121.76 129.25 1vsh s ALA 141 Ca 0.09 0.36 0.01 0.00 0.00 0.00 0.00 51.96 52.42 1vsh s ALA 141 Cb -0.11 -3.12 -0.01 0.00 0.00 0.00 0.00 23.12 19.88 1vsh s ALA 141 CO -0.01 0.13 -0.03 -1.58 0.00 0.00 0.00 175.76 174.26 1vsh s HIS 142 N -2.19 0.31 0.02 0.00 2.46 -1.26 -0.13 115.29 114.49 1vsh s HIS 142 Ca 0.61 -0.12 0.01 0.00 0.47 0.00 0.00 55.06 56.02 1vsh s HIS 142 Cb -0.09 -0.20 -0.01 0.00 -0.13 0.00 0.00 32.58 32.15 1vsh s HIS 142 CO 0.14 -0.02 -0.03 -0.08 -2.47 0.00 0.00 174.74 172.28 1vsh s THR 143 N -0.28 0.18 -0.68 0.89 -1.32 -0.98 -4.98 115.64 108.47 1vsh s THR 143 Ca -0.01 -0.63 0.14 0.00 -1.21 0.00 0.00 61.69 59.98 1vsh s THR 143 Cb -0.03 -0.26 0.43 0.00 -1.51 0.00 0.00 72.50 71.13 1vsh s THR 143 CO -0.00 -0.29 1.35 0.35 -2.21 0.00 0.00 174.62 173.82 1vsh n THR 144 N 2.10 1.54 -2.82 5.08 -2.24 -1.25 -1.87 114.28 114.83 1vsh n THR 144 Ca -0.20 -1.34 0.00 0.00 -2.27 0.00 0.00 64.05 60.25 1vsh n THR 144 Cb 0.57 0.19 0.00 0.00 -2.10 0.00 0.00 70.33 68.99 1vsh n THR 144 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1vsh n GLY 145 N 0.20 0.46 3.53 3.38 0.00 -1.26 -4.69 105.19 106.82 1vsh n GLY 145 Ca 0.16 -1.03 -0.33 0.00 0.00 0.00 0.00 46.02 44.82 1vsh n GLY 145 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1vsh s ILE 146 N 0.00 3.45 -0.86 -0.61 1.09 -1.26 -5.03 121.20 117.98 1vsh s ILE 146 Ca 0.00 -0.57 -0.20 0.00 -1.10 0.00 0.00 60.65 58.78 1vsh s ILE 146 Cb 0.00 -2.39 -0.21 0.00 -1.06 0.00 0.00 42.46 38.79 1vsh s ILE 146 CO 0.00 0.59 2.33 -0.81 -0.10 0.00 0.00 174.94 176.95 1vsh n PRO 147 N 2.34 0.36 -0.32 2.79 -0.04 -1.26 0.10 135.00 138.97 1vsh n PRO 147 Ca -0.18 -0.44 0.00 0.00 -0.04 0.00 0.00 63.50 62.85 1vsh n PRO 147 Cb 0.53 -2.58 0.00 0.00 -0.04 0.00 0.00 33.50 31.41 1vsh n PRO 147 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1vsh n GLY 148 N 6.26 0.90 0.40 0.55 0.00 -1.26 -5.01 105.19 107.02 1vsh n GLY 148 Ca 0.55 -0.08 -0.10 0.00 0.00 0.00 0.00 46.02 46.39 1vsh n GLY 148 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1vsh n ASN 149 N 0.13 -0.98 0.00 1.61 5.15 0.11 -4.85 115.26 116.43 1vsh n ASN 149 Ca 0.00 1.68 0.00 0.00 -0.60 0.00 0.00 54.58 55.66 1vsh n ASN 149 Cb 0.07 -0.23 0.00 0.00 -0.53 0.00 0.00 39.78 39.09 1vsh n ASN 149 CO 0.00 0.00 0.00 -0.24 1.40 0.00 0.00 177.26 178.42 1vsh n SER 150 N -5.19 0.00 -0.09 1.20 2.88 -1.26 -4.83 113.62 106.32 1vsh n SER 150 Ca 0.02 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.56 1vsh n SER 150 Cb 0.25 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.71 1vsh n SER 150 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1vsh n GLN 151 N 0.00 3.75 -0.88 -1.46 6.02 -1.26 -4.90 117.38 118.64 1vsh n GLN 151 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 1vsh n GLN 151 Cb 0.00 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.26 1vsh n GLN 151 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1vsh n GLY 152 N 5.00 0.55 0.00 1.08 0.00 -1.26 -4.71 105.19 105.85 1vsh n GLY 152 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.98 1vsh n GLY 152 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1vsh n GLN 153 N -2.88 0.00 -0.31 1.61 1.13 -1.26 -4.91 117.38 110.76 1vsh n GLN 153 Ca 0.00 0.00 0.17 0.00 -1.94 0.00 0.00 57.00 55.23 1vsh n GLN 153 Cb 0.00 -0.42 0.43 0.00 0.11 0.00 0.00 30.24 30.35 1vsh n GLN 153 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1vsh h ALA 154 N 0.00 1.98 -0.20 -1.58 0.00 -1.93 -1.41 119.26 116.12 1vsh h ALA 154 Ca 0.00 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 1vsh h ALA 154 Cb 0.43 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1vsh h ALA 154 CO 0.00 -0.33 0.01 0.52 0.00 0.00 0.00 179.25 179.44 1vsh h MET 155 N 0.56 0.35 0.00 0.00 2.86 -1.99 -1.69 114.93 115.03 1vsh h MET 155 Ca 0.55 -0.11 -0.12 0.00 -2.06 0.00 0.00 59.70 57.96 1vsh h MET 155 Cb 1.13 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 32.74 1vsh h MET 155 CO -0.29 0.54 -0.55 -0.24 1.06 0.00 0.00 176.91 177.43 1vsh h VAL 156 N 0.12 1.33 -0.11 -2.22 3.04 -1.76 0.03 116.25 116.68 1vsh h VAL 156 Ca 0.06 -1.91 -0.09 0.00 -1.01 0.00 0.00 66.70 63.74 1vsh h VAL 156 Cb 0.38 2.05 -0.01 0.00 -2.01 0.00 0.00 31.29 31.70 1vsh h VAL 156 CO 0.01 0.54 -0.34 -0.33 -1.01 0.00 0.00 177.57 176.44 1vsh h GLU 157 N 0.00 0.22 -0.07 4.17 4.39 -1.14 0.58 114.58 122.72 1vsh h GLU 157 Ca -0.01 -0.09 -0.13 0.00 0.34 0.00 0.00 59.36 59.47 1vsh h GLU 157 Cb 1.01 -0.01 0.01 0.00 -0.10 0.00 0.00 28.75 29.65 1vsh h GLU 157 CO 0.07 0.53 -0.48 -0.09 -1.16 0.00 0.00 179.01 177.89 1vsh h ARG 158 N 0.19 0.46 -0.66 2.33 2.43 -1.10 -2.82 114.38 115.20 1vsh h ARG 158 Ca 0.02 -0.39 0.00 0.00 -0.81 0.00 0.00 59.98 58.80 1vsh h ARG 158 Cb 0.69 0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 30.30 1vsh h ARG 158 CO 0.05 1.03 0.42 0.00 -1.51 0.00 0.00 179.97 179.96 1vsh h ALA 159 N 0.43 1.49 -0.33 2.80 0.00 -0.68 -1.00 119.26 121.98 1vsh h ALA 159 Ca -0.04 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 54.84 1vsh h ALA 159 Cb 1.14 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.63 1vsh h ALA 159 CO 0.10 0.45 0.16 -0.91 0.00 0.00 0.00 179.25 179.05 1vsh h ASN 160 N 0.90 0.23 -0.19 0.00 2.35 -0.73 -0.44 115.58 117.70 1vsh h ASN 160 Ca 0.24 0.02 -0.04 0.00 -0.55 0.00 0.00 56.30 55.97 1vsh h ASN 160 Cb -0.07 -0.02 -0.01 0.00 0.05 0.00 0.00 38.32 38.27 1vsh h ASN 160 CO -0.05 0.17 -0.04 -0.09 -1.65 0.00 0.00 177.43 175.77 1vsh h ARG 161 N 0.33 0.37 -0.19 0.81 2.43 -1.22 -1.29 114.38 115.62 1vsh h ARG 161 Ca 0.14 -0.14 -0.02 0.00 -0.81 0.00 0.00 59.98 59.15 1vsh h ARG 161 Cb 0.06 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.58 1vsh h ARG 161 CO -0.10 0.62 0.02 -0.07 -1.51 0.00 0.00 179.97 178.94 1vsh h LEU 162 N 0.08 0.24 -0.22 3.80 3.38 -1.03 -1.65 115.31 119.92 1vsh h LEU 162 Ca 0.05 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.94 1vsh h LEU 162 Cb 0.49 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 1vsh h LEU 162 CO 0.02 0.27 -0.10 0.25 0.09 0.00 0.00 178.44 178.97 1vsh h LEU 163 N 0.26 0.46 -1.18 1.67 5.85 -0.85 -2.38 115.31 119.15 1vsh h LEU 163 Ca 0.06 -0.41 -0.08 0.00 0.84 0.00 0.00 57.88 58.30 1vsh h LEU 163 Cb 0.14 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.03 1vsh h LEU 163 CO -0.00 0.76 -0.39 0.11 -0.34 0.00 0.00 178.44 178.59 1vsh h LYS 164 N 0.15 0.00 -0.40 1.25 1.57 -0.75 -1.66 116.57 116.74 1vsh h LYS 164 Ca 0.05 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.74 1vsh h LYS 164 Cb 0.59 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.88 1vsh h LYS 164 CO 0.03 0.39 -0.09 0.22 -0.57 0.00 0.00 179.45 179.43 1vsh h ASP 165 N 0.00 0.77 0.01 0.86 3.58 -1.26 -1.55 116.42 118.82 1vsh h ASP 165 Ca -0.00 -0.36 -0.11 0.00 0.42 0.00 0.00 57.03 56.98 1vsh h ASP 165 Cb 0.75 -0.21 -0.01 0.00 1.72 0.00 0.00 39.33 41.58 1vsh h ASP 165 CO 0.05 0.95 -0.34 0.50 -2.88 0.00 0.00 179.24 177.52 1vsh h LYS 166 N 0.58 0.46 -0.25 0.28 1.63 -1.18 0.82 116.57 118.91 1vsh h LYS 166 Ca 0.10 -0.20 -0.02 0.00 -0.85 0.00 0.00 60.65 59.68 1vsh h LYS 166 Cb 0.61 -0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 32.21 1vsh h LYS 166 CO 0.04 0.74 0.07 0.82 -3.45 0.00 0.00 179.45 177.67 1vsh h ILE 167 N 0.39 1.20 -0.30 2.00 2.04 -1.19 0.21 117.51 121.87 1vsh h ILE 167 Ca 0.05 -0.66 -0.00 0.00 1.00 0.00 0.00 64.86 65.24 1vsh h ILE 167 Cb 0.78 1.16 -0.01 0.00 -0.74 0.00 0.00 36.82 38.01 1vsh h ILE 167 CO 0.06 0.21 0.19 -0.09 0.00 0.00 0.00 178.15 178.52 1vsh h ARG 168 N 0.24 0.40 -0.32 2.37 2.43 -1.11 0.47 114.38 118.86 1vsh h ARG 168 Ca 0.08 -0.03 -0.15 0.00 -0.81 0.00 0.00 59.98 59.07 1vsh h ARG 168 Cb 0.26 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.72 1vsh h ARG 168 CO -0.00 0.30 -0.39 -0.39 -1.51 0.00 0.00 179.97 177.98 1vsh h VAL 169 N 0.39 1.28 -0.30 0.20 -1.51 -0.61 -1.98 116.25 113.72 1vsh h VAL 169 Ca 0.11 -1.56 -0.13 0.00 -1.23 0.00 0.00 66.70 63.89 1vsh h VAL 169 Cb -0.01 1.45 -0.01 0.00 -2.13 0.00 0.00 31.29 30.59 1vsh h VAL 169 CO -0.02 0.51 -0.33 -0.07 -1.23 0.00 0.00 177.57 176.43 1vsh h LEU 170 N 0.63 0.69 0.02 4.19 3.38 -0.32 -0.33 115.31 123.57 1vsh h LEU 170 Ca 0.05 -0.28 -0.00 0.00 0.09 0.00 0.00 57.88 57.74 1vsh h LEU 170 Cb 0.94 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.50 1vsh h LEU 170 CO 0.09 0.96 -0.01 0.00 0.09 0.00 0.00 178.44 179.57 1vsh h ALA 171 N 1.08 -0.02 -0.86 1.53 0.00 0.16 -2.51 119.26 118.64 1vsh h ALA 171 Ca 0.06 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 54.93 1vsh h ALA 171 Cb 0.83 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.59 1vsh h ALA 171 CO 0.07 -0.46 0.57 0.93 0.00 0.00 0.00 179.25 180.37 1vsh h GLU 172 N -0.14 1.10 -0.08 0.00 5.08 -1.35 0.12 114.58 119.32 1vsh h GLU 172 Ca -0.00 -0.07 0.02 0.00 -1.00 0.00 0.00 59.36 58.31 1vsh h GLU 172 Cb 0.13 -0.25 -0.00 0.00 0.50 0.00 0.00 28.75 29.13 1vsh h GLU 172 CO 0.00 0.73 0.05 0.78 -1.00 0.00 0.00 179.01 179.58 1vsh h GLY 173 N 1.14 0.03 -1.42 -3.84 0.00 -0.66 0.49 103.07 98.81 1vsh h GLY 173 Ca 0.33 -0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.65 1vsh h GLY 173 CO -0.08 0.01 0.00 1.22 0.00 0.00 0.00 176.54 177.69 1vsh n ASP 174 N -4.52 2.31 0.00 0.19 8.00 0.22 -4.90 116.55 117.85 1vsh n ASP 174 Ca -0.01 -1.86 0.00 0.00 0.71 0.00 0.00 54.79 53.63 1vsh n ASP 174 Cb 0.14 -0.20 0.00 0.00 -0.02 0.00 0.00 41.12 41.05 1vsh n ASP 174 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1vsh n GLY 175 N 1.25 0.74 3.35 0.44 0.00 0.16 -5.02 105.19 106.11 1vsh n GLY 175 Ca 0.17 -0.08 -0.44 0.00 0.00 0.00 0.00 46.02 45.67 1vsh n GLY 175 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1vsh s PHE 176 N -2.00 3.27 -0.55 1.61 0.08 -0.03 -4.91 117.98 115.46 1vsh s PHE 176 Ca 0.00 -1.11 0.24 0.00 0.12 0.00 0.00 56.93 56.18 1vsh s PHE 176 Cb 0.00 -3.20 0.20 0.00 -0.57 0.00 0.00 43.02 39.45 1vsh s PHE 176 CO 0.00 -0.83 1.19 -1.33 -0.10 0.00 0.00 175.22 174.15 1vsh n MET 177 N 5.14 0.36 0.00 0.44 2.81 -1.26 -3.32 117.12 121.29 1vsh n MET 177 Ca -0.12 0.07 0.00 0.00 -1.81 0.00 0.00 57.70 55.84 1vsh n MET 177 Cb 0.43 -1.69 0.00 0.00 -0.71 0.00 0.00 33.22 31.25 1vsh n MET 177 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1vsh n LYS 178 N -2.19 0.00 -2.42 0.03 4.76 -1.26 -5.03 118.16 112.05 1vsh n LYS 178 Ca 0.02 0.00 -0.38 0.00 -2.87 0.00 0.00 58.31 55.09 1vsh n LYS 178 Cb 0.46 0.00 -0.03 0.00 -1.84 0.00 0.00 35.03 33.62 1vsh n LYS 178 CO 0.00 0.00 0.00 0.50 -1.37 0.00 0.00 177.40 176.53 1vsh s ARG 179 N 2.78 4.14 -0.04 1.97 3.52 -1.26 -4.77 118.95 125.28 1vsh s ARG 179 Ca 0.00 1.69 -0.24 0.00 -0.13 0.00 0.00 55.73 57.05 1vsh s ARG 179 Cb 0.00 -2.66 -0.04 0.00 -1.56 0.00 0.00 34.95 30.69 1vsh s ARG 179 CO 0.00 -0.20 0.71 0.42 -0.81 0.00 0.00 175.30 175.42 1vsh s ILE 180 N -1.50 4.98 0.21 4.11 1.01 -0.14 -4.98 121.20 124.90 1vsh s ILE 180 Ca 0.56 1.48 -0.31 0.00 0.00 0.00 0.00 60.65 62.39 1vsh s ILE 180 Cb -0.27 -4.06 -0.15 0.00 0.01 0.00 0.00 42.46 37.99 1vsh s ILE 180 CO 0.34 0.28 1.01 -2.65 0.00 0.00 0.00 174.94 173.92 1vsh n PRO 181 N 3.56 1.03 -0.35 2.79 -0.02 -1.26 -4.73 135.00 136.01 1vsh n PRO 181 Ca -0.02 0.36 0.11 0.00 -2.02 0.00 0.00 63.50 61.94 1vsh n PRO 181 Cb 0.51 -1.74 0.29 0.00 -0.02 0.00 0.00 33.50 32.54 1vsh n PRO 181 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 1vsh h THR 182 N 2.18 0.77 0.00 3.45 2.02 -1.94 0.19 112.91 119.58 1vsh h THR 182 Ca -0.40 -0.29 0.00 0.00 0.77 0.00 0.00 66.41 66.50 1vsh h THR 182 Cb 1.36 -0.13 0.00 0.00 -1.74 0.00 0.00 68.15 67.63 1vsh h THR 182 CO 0.64 0.15 0.00 0.77 0.37 0.00 0.00 175.52 177.46 1vsh h SER 183 N 0.83 0.00 0.09 4.18 4.64 -2.00 -3.04 113.55 118.25 1vsh h SER 183 Ca 0.55 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.87 1vsh h SER 183 Cb 0.77 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.86 1vsh h SER 183 CO -0.35 0.00 -1.25 0.29 -0.87 0.00 0.00 176.83 174.65 1vsh n LYS 184 N -2.84 0.22 -0.05 4.77 4.76 0.03 -4.67 118.16 120.38 1vsh n LYS 184 Ca 0.02 -0.05 -0.08 0.00 -2.87 0.00 0.00 58.31 55.32 1vsh n LYS 184 Cb 0.33 -1.52 -0.02 0.00 -1.84 0.00 0.00 35.03 31.98 1vsh n LYS 184 CO 0.00 0.00 0.00 1.96 -1.37 0.00 0.00 177.40 177.99 1vsh h GLN 185 N 0.00 0.14 -0.32 1.97 4.20 -1.36 -2.62 115.11 117.13 1vsh h GLN 185 Ca 0.00 -0.01 0.03 0.00 0.06 0.00 0.00 58.65 58.73 1vsh h GLN 185 Cb 0.67 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 28.39 1vsh h GLN 185 CO 0.00 0.09 0.13 0.78 -0.67 0.00 0.00 178.83 179.16 1vsh h GLY 186 N 0.15 0.41 1.30 3.46 0.00 -1.83 0.43 103.07 106.99 1vsh h GLY 186 Ca 0.11 -0.08 -0.12 0.00 0.00 0.00 0.00 47.33 47.23 1vsh h GLY 186 CO -0.13 0.05 -0.22 0.83 0.00 0.00 0.00 176.54 177.07 1vsh h GLU 187 N 0.28 0.81 -0.24 4.80 5.08 -1.87 -0.06 114.58 123.38 1vsh h GLU 187 Ca 0.14 -0.33 -0.16 0.00 -1.00 0.00 0.00 59.36 58.01 1vsh h GLU 187 Cb 0.09 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 1vsh h GLU 187 CO -0.13 0.95 -0.50 1.25 -1.00 0.00 0.00 179.01 179.59 1vsh h LEU 188 N 0.70 0.72 -0.66 1.33 6.46 -1.15 -0.58 115.31 122.14 1vsh h LEU 188 Ca 0.10 -0.37 -0.07 0.00 -0.12 0.00 0.00 57.88 57.42 1vsh h LEU 188 Cb 0.74 -0.21 -0.03 0.00 -0.73 0.00 0.00 40.66 40.44 1vsh h LEU 188 CO 0.06 1.10 0.13 0.25 -0.62 0.00 0.00 178.44 179.35 1vsh h LEU 189 N 0.52 1.03 -0.76 2.25 5.85 0.14 -1.16 115.31 123.17 1vsh h LEU 189 Ca 0.02 -0.25 0.00 0.00 0.84 0.00 0.00 57.88 58.50 1vsh h LEU 189 Cb 1.05 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 41.77 1vsh h LEU 189 CO 0.10 1.01 0.49 0.00 -0.34 0.00 0.00 178.44 179.71 1vsh h ALA 190 N 1.05 0.97 -0.62 1.25 0.00 -0.84 -1.49 119.26 119.58 1vsh h ALA 190 Ca 0.20 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.96 1vsh h ALA 190 Cb 0.41 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1vsh h ALA 190 CO 0.01 0.40 0.05 -0.22 0.00 0.00 0.00 179.25 179.49 1vsh h LYS 191 N 1.04 1.05 -0.54 0.00 3.64 -0.81 -0.47 116.57 120.49 1vsh h LYS 191 Ca 0.28 -0.31 -0.08 0.00 -1.27 0.00 0.00 60.65 59.26 1vsh h LYS 191 Cb -0.09 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 31.60 1vsh h LYS 191 CO -0.06 1.01 0.01 0.00 -2.27 0.00 0.00 179.45 178.14 1vsh h ALA 192 N 1.01 1.00 -0.38 5.00 0.00 -0.92 0.17 119.26 125.13 1vsh h ALA 192 Ca 0.18 -0.28 -0.07 0.00 0.00 0.00 0.00 54.91 54.73 1vsh h ALA 192 Cb 0.50 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1vsh h ALA 192 CO 0.02 0.62 -0.05 1.98 0.00 0.00 0.00 179.25 181.82 1vsh h MET 193 N 0.85 0.70 -0.34 0.00 1.85 -0.98 -1.31 114.93 115.69 1vsh h MET 193 Ca 0.16 -0.25 -0.00 0.00 -0.61 0.00 0.00 59.70 59.00 1vsh h MET 193 Cb 0.49 -0.05 -0.02 0.00 0.43 0.00 0.00 31.60 32.46 1vsh h MET 193 CO 0.02 0.83 0.20 -0.92 -0.40 0.00 0.00 176.91 176.64 1vsh h TYR 194 N 0.51 0.45 -0.13 1.39 3.20 -0.98 -2.30 116.97 119.10 1vsh h TYR 194 Ca 0.10 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.94 1vsh h TYR 194 Cb 0.54 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.66 1vsh h TYR 194 CO 0.04 0.34 -0.05 0.00 -1.64 0.00 0.00 178.16 176.85 1vsh h ALA 195 N 1.07 1.67 -0.00 1.82 0.00 -0.44 0.41 119.26 123.79 1vsh h ALA 195 Ca 0.12 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1vsh h ALA 195 Cb 0.02 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1vsh h ALA 195 CO -0.02 0.25 -0.30 1.28 0.00 0.00 0.00 179.25 180.45 1vsh n LEU 196 N -4.37 0.47 -0.03 0.00 4.77 -0.51 -4.35 117.00 112.97 1vsh n LEU 196 Ca -0.01 0.07 -0.05 0.00 -0.03 0.00 0.00 56.01 55.99 1vsh n LEU 196 Cb 0.20 -0.27 -0.03 0.00 -2.33 0.00 0.00 43.42 40.99 1vsh n LEU 196 CO 0.36 0.10 -0.71 0.59 -1.33 0.00 0.00 177.39 176.40 1vsh n ASN 197 N -1.30 2.92 -3.59 -1.43 3.02 -0.71 -4.87 115.26 109.31 1vsh n ASN 197 Ca 0.08 -0.01 -0.19 0.00 -0.03 0.00 0.00 54.58 54.43 1vsh n ASN 197 Cb 0.33 -0.12 0.00 0.00 -0.61 0.00 0.00 39.78 39.38 1vsh n ASN 197 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 1vsh n HIS 198 N -2.81 -2.27 0.00 3.10 8.25 0.14 -5.08 115.22 116.55 1vsh n HIS 198 Ca -0.12 0.85 0.00 0.00 -0.26 0.00 0.00 57.72 58.20 1vsh n HIS 198 Cb 0.62 -3.22 0.00 0.00 1.12 0.00 0.00 29.99 28.51 1vsh n HIS 198 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17