#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hgh s TYR 105 N 0.00 3.02 -0.07 1.12 1.51 0.07 -4.94 117.35 118.05 2hgh s TYR 105 Ca 0.00 -0.59 0.01 0.00 -1.01 0.00 0.00 57.07 55.48 2hgh s TYR 105 Cb 0.00 -2.11 -0.03 0.00 -0.11 0.00 0.00 41.96 39.72 2hgh s TYR 105 CO 0.00 -0.34 -0.08 0.08 -1.11 0.00 0.00 175.55 174.10 2hgh s VAL 106 N 1.21 3.63 -0.03 0.71 1.01 -1.26 -0.20 120.40 125.47 2hgh s VAL 106 Ca 0.03 -0.50 -0.30 0.00 0.00 0.00 0.00 61.98 61.21 2hgh s VAL 106 Cb -0.15 -2.49 -0.03 0.00 0.00 0.00 0.00 36.38 33.72 2hgh s VAL 106 CO 0.01 0.59 1.01 0.00 0.00 0.00 0.00 175.10 176.71 2hgh n HIS 108 N 4.31 1.19 -1.30 0.00 8.25 -1.26 -2.41 115.22 124.00 2hgh n HIS 108 Ca 0.07 -1.19 -0.34 0.00 -0.26 0.00 0.00 57.72 56.00 2hgh n HIS 108 Cb 0.50 -0.43 0.11 0.00 1.12 0.00 0.00 29.99 31.29 2hgh n HIS 108 CO 0.00 0.00 0.00 0.12 0.64 0.00 0.00 176.34 177.10 2hgh s PHE 109 N -3.01 1.93 -0.19 4.41 2.19 -1.26 -4.83 117.98 117.22 2hgh s PHE 109 Ca 0.45 1.62 -0.33 0.00 0.33 0.00 0.00 56.93 59.00 2hgh s PHE 109 Cb 0.38 -3.50 -0.10 0.00 -1.31 0.00 0.00 43.02 38.49 2hgh s PHE 109 CO 0.06 -2.77 2.06 -1.91 1.83 0.00 0.00 175.22 174.49 2hgh n GLU 110 N -2.94 1.85 -1.16 10.12 2.13 -1.26 -1.34 120.64 128.05 2hgh n GLU 110 Ca 0.14 0.60 -0.05 0.00 0.66 0.00 0.00 57.16 58.51 2hgh n GLU 110 Cb 0.50 -2.76 -0.02 0.00 0.27 0.00 0.00 31.44 29.42 2hgh n GLU 110 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 2hgh n ASN 111 N 8.87 -4.41 0.00 4.31 5.15 -1.26 -4.94 115.26 122.98 2hgh n ASN 111 Ca 0.29 0.13 0.00 0.00 -0.60 0.00 0.00 54.58 54.41 2hgh n ASN 111 Cb 0.32 -2.39 0.00 0.00 -0.53 0.00 0.00 39.78 37.18 2hgh n ASN 111 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2hgh n GLY 113 N 2.39 0.65 3.77 0.00 0.00 -1.01 -5.00 105.19 105.99 2hgh n GLY 113 Ca 0.00 -0.27 -0.38 0.00 0.00 0.00 0.00 46.02 45.37 2hgh n GLY 113 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2hgh s LYS 114 N -1.77 3.98 -0.04 1.61 2.20 -1.25 -4.78 119.74 119.69 2hgh s LYS 114 Ca 0.00 1.84 0.06 0.00 -0.36 0.00 0.00 55.97 57.50 2hgh s LYS 114 Cb 0.00 -2.62 -0.01 0.00 -1.51 0.00 0.00 37.83 33.69 2hgh s LYS 114 CO 0.00 -0.38 -0.21 0.00 -0.36 0.00 0.00 175.35 174.40 2hgh s ALA 115 N -1.44 1.85 0.21 3.13 0.00 -1.26 -0.26 121.76 123.99 2hgh s ALA 115 Ca 0.59 -0.90 0.08 0.00 0.00 0.00 0.00 51.96 51.73 2hgh s ALA 115 Cb -0.30 -0.56 -0.05 0.00 0.00 0.00 0.00 23.12 22.21 2hgh s ALA 115 CO 0.38 0.38 -0.15 -0.06 0.00 0.00 0.00 175.76 176.31 2hgh s PHE 116 N -0.19 1.73 0.12 0.00 0.40 0.72 -4.98 117.98 115.78 2hgh s PHE 116 Ca -0.00 -0.57 -0.19 0.00 -0.60 0.00 0.00 56.93 55.57 2hgh s PHE 116 Cb -0.12 -0.80 -0.05 0.00 0.51 0.00 0.00 43.02 42.56 2hgh s PHE 116 CO 0.02 0.37 1.72 -0.22 0.70 0.00 0.00 175.22 177.81 2hgh h LYS 117 N 2.55 0.37 -4.46 0.44 3.64 -1.97 0.24 116.57 117.38 2hgh h LYS 117 Ca -0.38 -0.04 -0.20 0.00 -1.27 0.00 0.00 60.65 58.75 2hgh h LYS 117 Cb 1.22 -0.07 -0.17 0.00 -0.41 0.00 0.00 32.23 32.80 2hgh h LYS 117 CO 0.62 0.32 -0.70 0.15 -2.27 0.00 0.00 179.45 177.57 2hgh s LYS 118 N -5.88 0.66 0.53 1.90 1.02 -1.26 -4.25 119.74 112.46 2hgh s LYS 118 Ca -0.13 -1.11 0.20 0.00 0.02 0.00 0.00 55.97 54.95 2hgh s LYS 118 Cb 0.09 -0.09 1.42 0.00 -0.52 0.00 0.00 37.83 38.73 2hgh s LYS 118 CO 0.71 -0.03 2.16 1.12 -0.92 0.00 0.00 175.35 178.39 2hgh h HIS 119 N 3.51 0.00 -0.56 3.18 2.07 -1.92 -1.15 115.15 120.28 2hgh h HIS 119 Ca -0.35 0.00 -0.05 0.00 -2.85 0.00 0.00 60.37 57.12 2hgh h HIS 119 Cb 1.17 0.00 -0.03 0.00 2.57 0.00 0.00 27.41 31.13 2hgh h HIS 119 CO 0.59 0.02 0.14 -0.91 -3.07 0.00 0.00 177.93 174.71 2hgh h ASN 120 N 0.00 0.80 0.01 3.10 4.21 -1.98 0.25 115.58 121.96 2hgh h ASN 120 Ca -0.00 -0.14 -0.20 0.00 1.21 0.00 0.00 56.30 57.17 2hgh h ASN 120 Cb 0.05 -0.21 0.00 0.00 -1.12 0.00 0.00 38.32 37.04 2hgh h ASN 120 CO 0.00 0.78 -0.72 1.56 -1.29 0.00 0.00 177.43 177.76 2hgh h GLN 121 N 0.83 0.64 -0.27 0.81 4.20 -1.65 -0.52 115.11 119.14 2hgh h GLN 121 Ca 0.18 -0.50 -0.00 0.00 0.06 0.00 0.00 58.65 58.39 2hgh h GLN 121 Cb 0.29 0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.15 2hgh h GLN 121 CO -0.00 1.12 0.15 1.25 -0.67 0.00 0.00 178.83 180.68 2hgh h LEU 122 N 0.44 0.33 -1.24 1.46 5.85 -1.12 -0.47 115.31 120.56 2hgh h LEU 122 Ca -0.03 -0.08 -0.00 0.00 0.84 0.00 0.00 57.88 58.61 2hgh h LEU 122 Cb 1.32 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 42.24 2hgh h LEU 122 CO 0.14 0.31 0.42 0.50 -0.34 0.00 0.00 178.44 179.48 2hgh h LYS 123 N 0.32 0.94 -0.73 1.25 3.64 -0.46 -0.79 116.57 120.74 2hgh h LYS 123 Ca 0.09 -0.08 -0.03 0.00 -1.27 0.00 0.00 60.65 59.37 2hgh h LYS 123 Cb 0.05 -0.20 -0.03 0.00 -0.41 0.00 0.00 32.23 31.64 2hgh h LYS 123 CO -0.02 0.65 0.33 0.28 -2.27 0.00 0.00 179.45 178.43 2hgh h VAL 124 N 0.96 1.24 -0.20 2.00 2.07 -0.68 -2.31 116.25 119.33 2hgh h VAL 124 Ca 0.25 -0.72 -0.08 0.00 0.82 0.00 0.00 66.70 66.98 2hgh h VAL 124 Cb -0.05 0.35 -0.00 0.00 -1.52 0.00 0.00 31.29 30.07 2hgh h VAL 124 CO -0.05 0.30 -0.18 -0.74 0.02 0.00 0.00 177.57 176.92 2hgh h HIS 125 N 1.04 0.57 -0.12 1.57 -0.00 -0.18 -3.17 115.15 114.86 2hgh h HIS 125 Ca 0.25 -0.17 -0.06 0.00 -0.00 0.00 0.00 60.37 60.39 2hgh h HIS 125 Cb 0.15 -0.12 -0.01 0.00 -0.00 0.00 0.00 27.41 27.43 2hgh h HIS 125 CO 0.01 0.82 -0.21 1.96 -0.00 0.00 0.00 177.93 180.51 2hgh h GLN 126 N 0.16 0.20 -0.44 5.26 4.20 -1.12 -1.24 115.11 122.12 2hgh h GLN 126 Ca 0.04 -0.06 0.13 0.00 0.06 0.00 0.00 58.65 58.82 2hgh h GLN 126 Cb 0.71 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.45 2hgh h GLN 126 CO 0.05 0.41 0.35 0.27 -0.67 0.00 0.00 178.83 179.24 2hgh h PHE 127 N 0.19 0.00 -0.16 2.96 -5.15 -1.38 -0.55 116.94 112.84 2hgh h PHE 127 Ca 0.03 0.00 -0.06 0.00 -0.20 0.00 0.00 57.97 57.75 2hgh h PHE 127 Cb 0.49 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 36.65 2hgh h PHE 127 CO 0.01 0.00 -0.12 1.03 -2.00 0.00 0.00 178.31 177.23 2hgh h SER 128 N 0.00 0.38 -0.41 -0.68 0.87 -1.29 0.27 113.55 112.69 2hgh h SER 128 Ca 0.21 -0.45 -0.05 0.00 -1.23 0.00 0.00 61.79 60.27 2hgh h SER 128 Cb 0.91 -0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 62.74 2hgh h SER 128 CO -0.00 0.75 0.08 0.45 -0.53 0.00 0.00 176.83 177.58 2hgh h HIS 129 N 0.01 0.76 0.00 2.24 3.86 -1.21 -2.58 115.15 118.22 2hgh h HIS 129 Ca 0.03 -0.07 0.00 0.00 -1.16 0.00 0.00 60.37 59.17 2hgh h HIS 129 Cb 0.63 -0.22 0.00 0.00 1.06 0.00 0.00 27.41 28.88 2hgh h HIS 129 CO 0.08 0.67 -0.32 1.79 0.86 0.00 0.00 177.93 181.00 2hgh h THR 130 N 0.71 0.00 -3.79 2.45 1.35 -1.11 -3.48 112.91 109.04 2hgh h THR 130 Ca 0.15 -0.99 -0.37 0.00 -0.55 0.00 0.00 66.41 64.65 2hgh h THR 130 Cb 0.31 1.83 -0.00 0.00 -1.73 0.00 0.00 68.15 68.56 2hgh h THR 130 CO 0.00 0.00 -0.51 1.67 -0.25 0.00 0.00 175.52 176.44 2hgh n GLN 131 N -2.95 -2.80 -4.23 4.72 -0.06 0.92 -5.01 117.38 107.97 2hgh n GLN 131 Ca 0.03 0.85 -0.16 0.00 -2.00 0.00 0.00 57.00 55.71 2hgh n GLN 131 Cb 0.53 -5.55 -0.11 0.00 -4.06 0.00 0.00 30.24 21.05 2hgh n GLN 131 CO 0.00 0.00 0.00 1.14 -0.20 0.00 0.00 177.06 178.00 2hgh s GLN 132 N -5.30 1.01 -0.12 3.69 1.03 -1.05 -5.04 119.66 113.88 2hgh s GLN 132 Ca 0.11 -1.29 -0.15 0.00 0.04 0.00 0.00 55.36 54.08 2hgh s GLN 132 Cb -0.05 -0.76 -0.05 0.00 0.03 0.00 0.00 33.01 32.18 2hgh s GLN 132 CO 0.14 0.13 0.36 -0.51 -2.54 0.00 0.00 175.29 172.87 2hgh s LEU 133 N -2.67 4.29 0.08 2.60 1.43 -1.26 -4.59 118.68 118.56 2hgh s LEU 133 Ca 0.11 0.67 -0.08 0.00 -1.03 0.00 0.00 54.13 53.80 2hgh s LEU 133 Cb -0.02 -2.49 -0.26 0.00 0.03 0.00 0.00 46.19 43.45 2hgh s LEU 133 CO 0.02 0.12 1.15 1.55 0.23 0.00 0.00 176.35 179.41 2hgh h PRO 134 N 6.32 0.40 -3.93 1.29 0.13 -1.87 -3.43 132.00 130.91 2hgh h PRO 134 Ca -0.43 -0.60 -0.77 0.00 -0.87 0.00 0.00 66.00 63.33 2hgh h PRO 134 Cb 1.18 0.21 -0.26 0.00 0.13 0.00 0.00 31.00 32.26 2hgh h PRO 134 CO 0.73 1.26 -0.06 0.71 -0.23 0.00 0.00 178.00 180.41 2hgh s TYR 135 N -2.82 3.55 -0.08 1.56 2.02 -1.12 -4.99 117.35 115.47 2hgh s TYR 135 Ca -0.06 -1.77 -0.05 0.00 -0.37 0.00 0.00 57.07 54.82 2hgh s TYR 135 Cb 0.07 -3.77 -0.04 0.00 -0.40 0.00 0.00 41.96 37.82 2hgh s TYR 135 CO 0.90 -0.99 0.14 -1.83 -1.57 0.00 0.00 175.55 172.19 2hgh s GLU 136 N 0.71 3.38 -0.13 -0.62 -1.05 -1.26 -0.05 118.70 119.68 2hgh s GLU 136 Ca 0.12 -0.22 -0.29 0.00 -0.15 0.00 0.00 54.97 54.43 2hgh s GLU 136 Cb -0.18 -3.12 -0.02 0.00 -0.44 0.00 0.00 34.13 30.37 2hgh s GLU 136 CO -0.04 0.74 1.31 0.00 0.95 0.00 0.00 175.26 178.22 2hgh n PRO 138 N 6.40 1.90 -1.99 0.00 -0.04 -1.26 -4.49 135.00 135.51 2hgh n PRO 138 Ca 0.14 -1.36 -0.34 0.00 -0.04 0.00 0.00 63.50 61.89 2hgh n PRO 138 Cb 0.45 -1.40 0.03 0.00 -0.04 0.00 0.00 33.50 32.54 2hgh n PRO 138 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 2hgh s HIS 139 N -1.68 2.56 0.15 0.54 2.46 -1.26 -4.96 115.29 113.10 2hgh s HIS 139 Ca 0.32 1.55 -0.31 0.00 0.47 0.00 0.00 55.06 57.09 2hgh s HIS 139 Cb 0.18 -3.30 -0.09 0.00 -0.13 0.00 0.00 32.58 29.24 2hgh s HIS 139 CO 0.26 -1.80 1.46 -1.83 -2.47 0.00 0.00 174.74 170.36 2hgh s GLU 140 N -3.60 4.27 0.00 2.88 -1.05 -1.26 -2.38 118.70 117.56 2hgh s GLU 140 Ca 0.72 2.22 0.00 0.00 -0.15 0.00 0.00 54.97 57.75 2hgh s GLU 140 Cb -0.24 -3.19 0.00 0.00 -0.44 0.00 0.00 34.13 30.26 2hgh s GLU 140 CO 0.34 -0.50 0.00 0.41 0.95 0.00 0.00 175.26 176.46 2hgh n GLY 141 N 3.41 0.87 3.54 -3.83 0.00 -1.26 -5.03 105.19 102.89 2hgh n GLY 141 Ca 0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 2hgh n GLY 141 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hgh n ASP 143 N 0.59 0.00 -4.76 0.00 2.03 -1.26 -4.70 116.55 108.46 2hgh n ASP 143 Ca -0.14 -1.31 -0.38 0.00 0.52 0.00 0.00 54.79 53.48 2hgh n ASP 143 Cb 0.53 -0.06 0.03 0.00 -0.72 0.00 0.00 41.12 40.90 2hgh n ASP 143 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 2hgh s LYS 144 N 0.00 3.32 0.07 -0.67 3.01 -1.26 -4.84 119.74 119.37 2hgh s LYS 144 Ca 0.00 2.12 0.03 0.00 -1.01 0.00 0.00 55.97 57.11 2hgh s LYS 144 Cb 0.00 -2.31 -0.03 0.00 -1.01 0.00 0.00 37.83 34.48 2hgh s LYS 144 CO 0.00 -1.01 -0.09 1.03 0.51 0.00 0.00 175.35 175.79 2hgh s ARG 145 N -2.83 0.70 0.11 1.68 0.52 -1.26 -0.81 118.95 117.05 2hgh s ARG 145 Ca 0.69 -0.97 0.03 0.00 -0.52 0.00 0.00 55.73 54.96 2hgh s ARG 145 Cb -0.37 -0.43 -0.04 0.00 0.52 0.00 0.00 34.95 34.62 2hgh s ARG 145 CO 0.45 0.07 -0.08 -0.06 0.02 0.00 0.00 175.30 175.70 2hgh s PHE 146 N -1.92 1.03 -0.02 -0.53 0.08 0.93 -4.98 117.98 112.56 2hgh s PHE 146 Ca -0.02 -0.80 0.12 0.00 0.12 0.00 0.00 56.93 56.34 2hgh s PHE 146 Cb -0.06 -0.56 -0.12 0.00 -0.57 0.00 0.00 43.02 41.70 2hgh s PHE 146 CO -0.00 -0.05 1.16 0.66 -0.10 0.00 0.00 175.22 176.89 2hgh h SER 147 N 3.08 0.00 -3.91 1.36 4.64 -1.97 -2.95 113.55 113.79 2hgh h SER 147 Ca -0.36 0.00 -0.42 0.00 -0.47 0.00 0.00 61.79 60.54 2hgh h SER 147 Cb 1.18 0.00 -0.17 0.00 -0.31 0.00 0.00 62.40 63.09 2hgh h SER 147 CO 0.61 0.80 -0.75 -0.76 -0.87 0.00 0.00 176.83 175.86 2hgh s LEU 148 N -6.41 2.44 0.30 5.97 2.01 -1.26 -4.74 118.68 116.99 2hgh s LEU 148 Ca 0.00 -0.86 0.04 0.00 0.01 0.00 0.00 54.13 53.33 2hgh s LEU 148 Cb 0.09 -0.56 0.48 0.00 0.01 0.00 0.00 46.19 46.20 2hgh s LEU 148 CO 0.80 -0.16 1.75 1.55 1.01 0.00 0.00 176.35 181.30 2hgh h PRO 149 N 3.32 0.40 -0.49 1.29 0.13 -1.94 -2.40 132.00 132.30 2hgh h PRO 149 Ca -0.39 -0.15 -0.03 0.00 -0.87 0.00 0.00 66.00 64.56 2hgh h PRO 149 Cb 1.20 -0.03 -0.02 0.00 0.13 0.00 0.00 31.00 32.28 2hgh h PRO 149 CO 0.53 0.63 0.19 0.66 -0.23 0.00 0.00 178.00 179.78 2hgh h SER 150 N 0.35 0.65 0.06 1.44 4.64 -1.98 0.13 113.55 118.84 2hgh h SER 150 Ca 0.05 -0.08 -0.20 0.00 -0.47 0.00 0.00 61.79 61.10 2hgh h SER 150 Cb 0.65 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 62.57 2hgh h SER 150 CO 0.05 0.59 -0.72 0.03 -0.87 0.00 0.00 176.83 175.91 2hgh h ARG 151 N 0.71 0.59 -0.25 4.77 3.08 -1.87 -0.71 114.38 120.69 2hgh h ARG 151 Ca 0.17 -0.46 -0.05 0.00 0.07 0.00 0.00 59.98 59.71 2hgh h ARG 151 Cb 0.16 0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.29 2hgh h ARG 151 CO -0.01 1.08 -0.03 1.25 -1.07 0.00 0.00 179.97 181.19 2hgh h LEU 152 N 0.41 0.46 -1.05 3.04 5.85 -1.16 -0.57 115.31 122.29 2hgh h LEU 152 Ca -0.03 -0.34 0.05 0.00 0.84 0.00 0.00 57.88 58.40 2hgh h LEU 152 Cb 1.31 -0.13 -0.06 0.00 0.37 0.00 0.00 40.66 42.15 2hgh h LEU 152 CO 0.14 0.69 0.63 0.11 -0.34 0.00 0.00 178.44 179.67 2hgh h LYS 153 N 0.22 1.15 -0.38 1.25 1.57 -0.66 -0.17 116.57 119.55 2hgh h LYS 153 Ca 0.07 -0.07 -0.16 0.00 -1.87 0.00 0.00 60.65 58.62 2hgh h LYS 153 Cb 0.47 -0.26 -0.01 0.00 0.08 0.00 0.00 32.23 32.52 2hgh h LYS 153 CO 0.02 0.76 -0.39 -0.09 -0.57 0.00 0.00 179.45 179.18 2hgh h ARG 154 N 1.19 0.93 -0.43 3.15 2.43 -1.02 -2.82 114.38 117.80 2hgh h ARG 154 Ca 0.40 -0.50 0.03 0.00 -0.81 0.00 0.00 59.98 59.10 2hgh h ARG 154 Cb 0.08 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.62 2hgh h ARG 154 CO -0.14 1.15 0.29 1.25 -1.51 0.00 0.00 179.97 181.01 2hgh h HIS 155 N 0.75 0.46 -0.24 2.20 2.76 -0.39 -2.04 115.15 118.65 2hgh h HIS 155 Ca 0.06 0.01 0.05 0.00 -2.20 0.00 0.00 60.37 58.28 2hgh h HIS 155 Cb 0.99 -0.16 -0.01 0.00 1.55 0.00 0.00 27.41 29.78 2hgh h HIS 155 CO 0.06 0.28 0.17 1.49 -1.30 0.00 0.00 177.93 178.63 2hgh h GLU 156 N 0.48 0.12 -0.03 5.26 4.81 -0.78 -0.24 114.58 124.20 2hgh h GLU 156 Ca 0.17 -0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.40 2hgh h GLU 156 Cb 0.09 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 29.44 2hgh h GLU 156 CO -0.04 0.08 0.04 0.87 -0.73 0.00 0.00 179.01 179.22 2hgh h LYS 157 N 0.12 0.00 -0.61 1.92 1.57 -1.43 -1.05 116.57 117.09 2hgh h LYS 157 Ca 0.11 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.87 2hgh h LYS 157 Cb 0.27 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.55 2hgh h LYS 157 CO -0.01 0.00 0.32 0.28 -0.57 0.00 0.00 179.45 179.46 2hgh h VAL 158 N 0.00 1.20 0.00 0.50 2.07 -1.18 0.25 116.25 119.09 2hgh h VAL 158 Ca 0.02 -0.54 -0.17 0.00 0.82 0.00 0.00 66.70 66.82 2hgh h VAL 158 Cb 0.09 0.44 -0.02 0.00 -1.52 0.00 0.00 31.29 30.28 2hgh h VAL 158 CO -0.00 0.23 -0.83 0.45 0.02 0.00 0.00 177.57 177.44 2hgh h HIS 159 N 0.83 0.00 0.00 1.57 3.86 -1.36 -3.03 115.15 117.03 2hgh h HIS 159 Ca 0.21 0.00 -0.08 0.00 -1.16 0.00 0.00 60.37 59.34 2hgh h HIS 159 Cb 0.07 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.53 2hgh h HIS 159 CO -0.01 0.83 -0.38 0.00 0.86 0.00 0.00 177.93 179.23 2hgh h ALA 160 N 1.17 1.07 0.00 2.45 0.00 -1.04 -3.50 119.26 119.42 2hgh h ALA 160 Ca -0.01 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.56 2hgh h ALA 160 Cb 1.49 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.22 2hgh h ALA 160 CO 0.11 0.47 0.00 0.41 0.00 0.00 0.00 179.25 180.24 2hgh n GLY 161 N 0.05 -1.25 2.88 0.00 0.00 0.05 -4.88 105.19 102.04 2hgh n GLY 161 Ca -0.01 -1.60 -0.30 0.00 0.00 0.00 0.00 46.02 44.11 2hgh n GLY 161 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2hgh s TYR 162 N -1.63 2.86 0.27 1.61 1.51 0.36 -4.86 117.35 117.46 2hgh s TYR 162 Ca 0.00 -2.73 -0.27 0.00 -1.01 0.00 0.00 57.07 53.06 2hgh s TYR 162 Cb 0.00 -2.47 -0.09 0.00 -0.11 0.00 0.00 41.96 39.29 2hgh s TYR 162 CO 0.00 -0.84 0.91 -1.25 -1.11 0.00 0.00 175.55 173.26 2hgh s PRO 163 N 0.52 4.68 0.28 -1.71 0.04 -1.26 -0.85 135.00 136.70 2hgh s PRO 163 Ca 0.14 1.35 -0.29 0.00 0.04 0.00 0.00 61.00 62.24 2hgh s PRO 163 Cb -0.22 -3.05 -0.10 0.00 0.04 0.00 0.00 34.50 31.17 2hgh s PRO 163 CO -0.06 0.42 1.17 0.00 0.04 0.00 0.00 177.00 178.56 2hgh n LYS 165 N 1.27 0.07 0.27 0.00 5.02 -1.26 -4.75 118.16 118.78 2hgh n LYS 165 Ca -0.00 -0.62 0.15 0.00 -2.02 0.00 0.00 58.31 55.83 2hgh n LYS 165 Cb 0.44 -0.51 0.70 0.00 -0.02 0.00 0.00 35.03 35.63 2hgh n LYS 165 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 2hgh h LYS 166 N 0.00 0.00 -2.87 1.97 1.79 -1.93 -3.44 116.57 112.10 2hgh h LYS 166 Ca 0.00 0.00 -0.12 0.00 -2.18 0.00 0.00 60.65 58.35 2hgh h LYS 166 Cb 1.06 0.00 -0.23 0.00 -1.58 0.00 0.00 32.23 31.48 2hgh h LYS 166 CO 0.00 0.07 -0.26 0.34 -1.08 0.00 0.00 179.45 178.52 2hgh s ASP 167 N -5.83 -0.34 0.52 0.86 2.15 -1.26 -5.05 116.67 107.72 2hgh s ASP 167 Ca -0.00 0.55 0.29 0.00 0.43 0.00 0.00 52.55 53.81 2hgh s ASP 167 Cb 0.10 0.62 1.42 0.00 -0.30 0.00 0.00 42.92 44.76 2hgh s ASP 167 CO 0.56 -0.24 2.04 -2.24 -0.17 0.00 0.00 175.17 175.12 2hgh h ASP 168 N 4.96 0.00 -0.61 -0.34 3.04 -1.96 -2.44 116.42 119.07 2hgh h ASP 168 Ca -0.28 0.00 -0.10 0.00 -3.24 0.00 0.00 57.03 53.42 2hgh h ASP 168 Cb 1.18 0.00 -0.06 0.00 -1.04 0.00 0.00 39.33 39.41 2hgh h ASP 168 CO 0.31 0.12 0.12 -1.20 -2.04 0.00 0.00 179.24 176.55 2hgh n SER 169 N -3.49 5.13 -4.35 4.15 7.64 -1.26 -4.89 113.62 116.55 2hgh n SER 169 Ca -0.01 -3.09 -0.33 0.00 1.01 0.00 0.00 58.87 56.45 2hgh n SER 169 Cb 0.27 -0.70 -0.15 0.00 -1.01 0.00 0.00 64.21 62.62 2hgh n SER 169 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2hgh n SER 171 N 3.28 0.91 -4.77 0.00 7.64 -1.26 -4.77 113.62 114.64 2hgh n SER 171 Ca -0.18 -2.05 -0.40 0.00 1.01 0.00 0.00 58.87 57.25 2hgh n SER 171 Cb 0.53 -0.18 0.00 0.00 -1.01 0.00 0.00 64.21 63.55 2hgh n SER 171 CO 0.00 0.00 0.00 0.12 -3.01 0.00 0.00 175.04 172.15 2hgh s PHE 172 N -0.88 2.63 -0.10 1.43 2.19 -1.26 -4.82 117.98 117.16 2hgh s PHE 172 Ca 0.08 1.27 0.01 0.00 0.33 0.00 0.00 56.93 58.61 2hgh s PHE 172 Cb 0.07 -3.90 0.02 0.00 -1.31 0.00 0.00 43.02 37.90 2hgh s PHE 172 CO 0.01 -2.71 -0.10 0.08 1.83 0.00 0.00 175.22 174.33 2hgh s VAL 173 N -1.17 1.17 0.01 3.12 1.01 -1.26 -0.50 120.40 122.77 2hgh s VAL 173 Ca 0.56 -0.41 -0.24 0.00 0.00 0.00 0.00 61.98 61.88 2hgh s VAL 173 Cb -0.44 -1.13 -0.05 0.00 0.00 0.00 0.00 36.38 34.77 2hgh s VAL 173 CO 0.58 0.38 0.74 -0.83 0.00 0.00 0.00 175.10 175.97 2hgh s GLY 174 N 1.34 2.74 0.28 4.51 0.00 -0.03 -4.80 107.32 111.36 2hgh s GLY 174 Ca -0.01 0.23 0.23 0.00 0.00 0.00 0.00 44.72 45.17 2hgh s GLY 174 CO -0.05 1.10 1.70 0.28 0.00 0.00 0.00 173.10 176.14 2hgh n LYS 175 N 3.07 0.18 -3.78 2.90 5.02 -1.26 -0.49 118.16 123.81 2hgh n LYS 175 Ca -0.02 0.48 -0.10 0.00 -2.02 0.00 0.00 58.31 56.65 2hgh n LYS 175 Cb 0.51 -1.90 -0.06 0.00 -0.02 0.00 0.00 35.03 33.56 2hgh n LYS 175 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 2hgh s THR 176 N -3.39 0.08 0.26 -0.18 -4.23 -1.26 -4.67 115.64 102.26 2hgh s THR 176 Ca 0.02 -0.94 -0.03 0.00 -1.18 0.00 0.00 61.69 59.57 2hgh s THR 176 Cb 0.08 -1.41 0.26 0.00 1.34 0.00 0.00 72.50 72.78 2hgh s THR 176 CO 0.34 -0.38 1.88 -0.25 -0.54 0.00 0.00 174.62 175.67 2hgh h TRP 177 N 2.49 1.18 -0.38 3.99 -0.00 -1.94 -2.09 115.95 119.20 2hgh h TRP 177 Ca -0.33 0.03 0.03 0.00 -0.00 0.00 0.00 58.89 58.63 2hgh h TRP 177 Cb 1.23 -0.39 -0.04 0.00 -0.00 0.00 0.00 29.16 29.97 2hgh h TRP 177 CO 0.37 0.62 0.18 1.79 -0.00 0.00 0.00 178.44 181.39 2hgh h THR 178 N 1.16 0.95 -0.48 2.65 1.35 -1.97 -1.40 112.91 115.17 2hgh h THR 178 Ca 0.42 -0.12 -0.03 0.00 -0.55 0.00 0.00 66.41 66.13 2hgh h THR 178 Cb 0.16 0.56 -0.02 0.00 -1.73 0.00 0.00 68.15 67.11 2hgh h THR 178 CO -0.17 0.07 0.19 -0.07 -0.25 0.00 0.00 175.52 175.28 2hgh h LEU 179 N 0.36 0.62 -0.07 3.87 3.38 -1.77 0.19 115.31 121.89 2hgh h LEU 179 Ca 0.17 -0.07 -0.03 0.00 0.09 0.00 0.00 57.88 58.04 2hgh h LEU 179 Cb 0.10 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.69 2hgh h LEU 179 CO -0.13 0.56 -0.06 0.22 0.09 0.00 0.00 178.44 179.12 2hgh h TYR 180 N 0.68 0.20 -0.91 1.13 3.20 -1.23 -1.00 116.97 119.04 2hgh h TYR 180 Ca 0.16 -0.06 0.01 0.00 3.14 0.00 0.00 58.73 61.98 2hgh h TYR 180 Cb 0.14 -0.04 -0.04 0.00 1.54 0.00 0.00 36.73 38.32 2hgh h TYR 180 CO 0.01 0.60 0.60 -0.07 -1.64 0.00 0.00 178.16 177.65 2hgh h LEU 181 N -0.25 1.05 -0.47 2.82 3.38 -0.85 0.14 115.31 121.13 2hgh h LEU 181 Ca 0.01 -0.03 -0.04 0.00 0.09 0.00 0.00 57.88 57.91 2hgh h LEU 181 Cb 0.56 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 2hgh h LEU 181 CO 0.02 0.76 0.15 0.50 0.09 0.00 0.00 178.44 179.96 2hgh h LYS 182 N 1.23 0.73 -0.63 1.13 3.64 -0.63 -0.92 116.57 121.12 2hgh h LYS 182 Ca 0.33 -0.16 -0.02 0.00 -1.27 0.00 0.00 60.65 59.54 2hgh h LYS 182 Cb -0.13 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 31.55 2hgh h LYS 182 CO -0.07 0.69 0.33 1.25 -2.27 0.00 0.00 179.45 179.38 2hgh h HIS 183 N 0.63 0.88 -0.43 1.91 2.76 -0.60 -2.44 115.15 117.86 2hgh h HIS 183 Ca 0.15 -0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 58.28 2hgh h HIS 183 Cb 0.26 -0.28 -0.02 0.00 1.55 0.00 0.00 27.41 28.93 2hgh h HIS 183 CO 0.01 0.65 0.22 0.28 -1.30 0.00 0.00 177.93 177.79 2hgh h VAL 184 N 0.86 1.17 -0.20 5.26 2.07 -0.49 0.48 116.25 125.41 2hgh h VAL 184 Ca 0.22 -0.47 -0.04 0.00 0.82 0.00 0.00 66.70 67.23 2hgh h VAL 184 Cb 0.08 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 30.53 2hgh h VAL 184 CO -0.03 0.18 -0.05 0.00 0.02 0.00 0.00 177.57 177.70 2hgh h ALA 185 N 1.06 1.56 0.00 1.67 0.00 -1.00 0.74 119.26 123.29 2hgh h ALA 185 Ca 0.15 -0.16 -0.25 0.00 0.00 0.00 0.00 54.91 54.65 2hgh h ALA 185 Cb 0.10 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 2hgh h ALA 185 CO -0.02 0.32 -1.54 1.49 0.00 0.00 0.00 179.25 179.50 2hgh h GLU 186 N 0.29 0.00 0.00 0.00 4.81 -1.06 0.08 114.58 118.70 2hgh h GLU 186 Ca 0.06 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.29 2hgh h GLU 186 Cb 0.28 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.66 2hgh h GLU 186 CO 0.01 0.47 -1.40 0.00 -0.73 0.00 0.00 179.01 177.36 2hgh n HIS 188 N -1.81 0.00 0.03 0.00 8.25 0.23 -4.90 115.22 117.01 2hgh n HIS 188 Ca -0.02 -0.20 0.00 0.00 -0.26 0.00 0.00 57.72 57.24 2hgh n HIS 188 Cb 0.24 -0.05 0.00 0.00 1.12 0.00 0.00 29.99 31.30 2hgh n HIS 188 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 2hgh n GLN 189 N -0.27 0.00 0.00 -0.41 6.02 -1.04 -4.94 117.38 116.75 2hgh n GLN 189 Ca 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.01 2hgh n GLN 189 Cb 0.58 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.84 2hgh n GLN 189 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58