#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 -0.11 -4.93 117.35 117.89 2hgh s TYR 105 Ca 0.00 -0.53 0.01 0.00 -1.01 0.00 0.00 57.07 55.54 2hgh s TYR 105 Cb 0.00 -2.08 -0.03 0.00 -0.11 0.00 0.00 41.96 39.74 2hgh s TYR 105 CO 0.00 -0.28 -0.07 0.08 -1.11 0.00 0.00 175.55 174.17 2hgh s VAL 106 N 1.05 3.69 -0.03 0.71 1.01 -1.26 -0.22 120.40 125.35 2hgh s VAL 106 Ca 0.02 -0.48 -0.30 0.00 0.00 0.00 0.00 61.98 61.22 2hgh s VAL 106 Cb -0.14 -2.52 -0.03 0.00 0.00 0.00 0.00 36.38 33.69 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 4.26 1.18 -1.34 0.00 8.25 -1.26 -2.43 115.22 123.89 2hgh n HIS 108 Ca 0.07 -1.26 -0.34 0.00 -0.26 0.00 0.00 57.72 55.93 2hgh n HIS 108 Cb 0.50 -0.44 0.10 0.00 1.12 0.00 0.00 29.99 31.27 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 -3.05 1.95 -0.19 4.41 2.19 -1.26 -4.82 117.98 117.21 2hgh s PHE 109 Ca 0.45 1.61 -0.33 0.00 0.33 0.00 0.00 56.93 58.99 2hgh s PHE 109 Cb 0.38 -3.51 -0.10 0.00 -1.31 0.00 0.00 43.02 38.49 2hgh s PHE 109 CO 0.05 -2.76 2.06 0.39 1.83 0.00 0.00 175.22 176.80 2hgh n GLU 110 N -2.85 1.85 -1.15 10.12 -0.58 -1.26 -1.30 120.64 125.46 2hgh n GLU 110 Ca 0.14 0.60 -0.05 0.00 -0.42 0.00 0.00 57.16 57.42 2hgh n GLU 110 Cb 0.50 -2.77 -0.02 0.00 -0.57 0.00 0.00 31.44 28.58 2hgh n GLU 110 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 2hgh n ASN 111 N 8.93 -4.41 0.00 1.62 5.15 -1.26 -4.94 115.26 120.35 2hgh n ASN 111 Ca 0.30 0.13 0.00 0.00 -0.60 0.00 0.00 54.58 54.41 2hgh n ASN 111 Cb 0.32 -2.37 0.00 0.00 -0.53 0.00 0.00 39.78 37.20 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 2.49 0.70 3.77 0.00 0.00 -1.02 -5.01 105.19 106.12 2hgh n GLY 113 Ca 0.00 -0.38 -0.39 0.00 0.00 0.00 0.00 46.02 45.25 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 -1.85 4.17 -0.03 1.61 2.20 -1.25 -4.78 119.74 119.81 2hgh s LYS 114 Ca 0.00 1.85 0.07 0.00 -0.36 0.00 0.00 55.97 57.53 2hgh s LYS 114 Cb 0.00 -2.77 -0.01 0.00 -1.51 0.00 0.00 37.83 33.53 2hgh s LYS 114 CO 0.00 -0.23 -0.24 0.00 -0.36 0.00 0.00 175.35 174.52 2hgh s ALA 115 N -1.37 2.04 0.21 3.13 0.00 -1.26 -0.24 121.76 124.26 2hgh s ALA 115 Ca 0.55 -1.03 0.08 0.00 0.00 0.00 0.00 51.96 51.56 2hgh s ALA 115 Cb -0.31 -0.57 -0.05 0.00 0.00 0.00 0.00 23.12 22.19 2hgh s ALA 115 CO 0.39 0.45 -0.15 -0.06 0.00 0.00 0.00 175.76 176.40 2hgh s PHE 116 N -0.39 1.75 0.17 0.00 0.40 0.69 -4.98 117.98 115.63 2hgh s PHE 116 Ca 0.04 -0.56 -0.11 0.00 -0.60 0.00 0.00 56.93 55.70 2hgh s PHE 116 Cb -0.11 -0.81 0.07 0.00 0.51 0.00 0.00 43.02 42.68 2hgh s PHE 116 CO 0.01 0.38 1.69 -0.22 0.70 0.00 0.00 175.22 177.78 2hgh h LYS 117 N 2.54 0.92 -3.89 0.44 3.64 -1.97 -0.25 116.57 117.99 2hgh h LYS 117 Ca -0.38 -0.21 -0.12 0.00 -1.27 0.00 0.00 60.65 58.66 2hgh h LYS 117 Cb 1.22 -0.13 -0.17 0.00 -0.41 0.00 0.00 32.23 32.74 2hgh h LYS 117 CO 0.62 0.84 -0.55 0.15 -2.27 0.00 0.00 179.45 178.24 2hgh s LYS 118 N -5.36 0.59 0.45 1.90 1.02 -1.26 -4.36 119.74 112.72 2hgh s LYS 118 Ca -0.13 -0.84 0.17 0.00 0.02 0.00 0.00 55.97 55.19 2hgh s LYS 118 Cb 0.13 0.23 1.06 0.00 -0.52 0.00 0.00 37.83 38.73 2hgh s LYS 118 CO 0.81 -0.14 1.99 1.12 -0.92 0.00 0.00 175.35 178.20 2hgh h HIS 119 N 3.56 0.00 -0.14 3.18 2.07 -1.92 -1.38 115.15 120.52 2hgh h HIS 119 Ca -0.33 0.00 -0.08 0.00 -2.85 0.00 0.00 60.37 57.11 2hgh h HIS 119 Cb 1.18 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 31.15 2hgh h HIS 119 CO 0.54 0.20 -0.26 -2.95 -3.07 0.00 0.00 177.93 172.39 2hgh h ASN 120 N 0.00 0.25 0.01 3.10 7.08 -1.99 0.97 115.58 125.01 2hgh h ASN 120 Ca -0.00 -0.08 -0.20 0.00 -3.08 0.00 0.00 56.30 52.94 2hgh h ASN 120 Cb 0.37 -0.07 0.00 0.00 -2.08 0.00 0.00 38.32 36.55 2hgh h ASN 120 CO 0.03 0.52 -0.72 1.56 -2.08 0.00 0.00 177.43 176.73 2hgh h GLN 121 N 0.23 0.63 -0.28 4.14 4.20 -1.70 -1.15 115.11 121.18 2hgh h GLN 121 Ca 0.04 -0.50 -0.00 0.00 0.06 0.00 0.00 58.65 58.25 2hgh h GLN 121 Cb 0.59 0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.45 2hgh h GLN 121 CO 0.04 1.12 0.17 1.25 -0.67 0.00 0.00 178.83 180.74 2hgh h LEU 122 N 0.44 0.33 -1.05 1.46 5.85 -0.94 -0.70 115.31 120.70 2hgh h LEU 122 Ca -0.03 -0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.64 2hgh h LEU 122 Cb 1.32 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 42.23 2hgh h LEU 122 CO 0.14 0.28 0.55 0.11 -0.34 0.00 0.00 178.44 179.18 2hgh h LYS 123 N 0.36 1.20 -0.89 1.25 1.57 -0.80 -1.17 116.57 118.09 2hgh h LYS 123 Ca 0.10 -0.10 0.03 0.00 -1.87 0.00 0.00 60.65 58.81 2hgh h LYS 123 Cb 0.00 -0.26 -0.05 0.00 0.08 0.00 0.00 32.23 32.00 2hgh h LYS 123 CO -0.02 0.83 0.58 0.28 -0.57 0.00 0.00 179.45 180.55 2hgh h VAL 124 N 1.23 1.16 -0.19 0.50 2.07 -0.71 -1.67 116.25 118.64 2hgh h VAL 124 Ca 0.32 -0.39 -0.08 0.00 0.82 0.00 0.00 66.70 67.37 2hgh h VAL 124 Cb -0.08 -0.07 -0.00 0.00 -1.52 0.00 0.00 31.29 29.62 2hgh h VAL 124 CO -0.06 0.21 -0.20 -0.74 0.02 0.00 0.00 177.57 176.80 2hgh h HIS 125 N 1.14 0.56 -0.12 1.57 -0.00 -0.42 -3.20 115.15 114.67 2hgh h HIS 125 Ca 0.35 -0.17 -0.06 0.00 -0.00 0.00 0.00 60.37 60.49 2hgh h HIS 125 Cb -0.03 -0.12 -0.01 0.00 -0.00 0.00 0.00 27.41 27.26 2hgh h HIS 125 CO -0.02 0.83 -0.19 1.96 -0.00 0.00 0.00 177.93 180.52 2hgh h GLN 126 N 0.13 0.21 -0.45 5.26 4.20 -1.03 -1.31 115.11 122.12 2hgh h GLN 126 Ca 0.03 -0.05 0.13 0.00 0.06 0.00 0.00 58.65 58.81 2hgh h GLN 126 Cb 0.74 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.48 2hgh h GLN 126 CO 0.05 0.40 0.35 0.27 -0.67 0.00 0.00 178.83 179.23 2hgh h PHE 127 N 0.19 0.00 -0.16 2.96 -5.15 -1.30 -0.63 116.94 112.84 2hgh h PHE 127 Ca 0.04 0.00 -0.05 0.00 -0.20 0.00 0.00 57.97 57.76 2hgh h PHE 127 Cb 0.45 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 36.62 2hgh h PHE 127 CO 0.01 0.00 -0.09 1.03 -2.00 0.00 0.00 178.31 177.26 2hgh h SER 128 N 0.00 0.36 -0.39 -0.68 0.87 -1.32 0.27 113.55 112.67 2hgh h SER 128 Ca 0.21 -0.42 -0.06 0.00 -1.23 0.00 0.00 61.79 60.29 2hgh h SER 128 Cb 0.92 -0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 62.75 2hgh h SER 128 CO -0.00 0.70 0.05 0.45 -0.53 0.00 0.00 176.83 177.51 2hgh h HIS 129 N 0.02 0.76 0.00 2.24 3.86 -1.22 -2.52 115.15 118.29 2hgh h HIS 129 Ca 0.04 -0.08 0.00 0.00 -1.16 0.00 0.00 60.37 59.16 2hgh h HIS 129 Cb 0.57 -0.22 0.00 0.00 1.06 0.00 0.00 27.41 28.82 2hgh h HIS 129 CO 0.07 0.68 -0.27 1.79 0.86 0.00 0.00 177.93 181.06 2hgh h THR 130 N 0.70 0.00 -3.66 2.45 1.35 -1.14 -3.48 112.91 109.13 2hgh h THR 130 Ca 0.15 -0.93 -0.36 0.00 -0.55 0.00 0.00 66.41 64.72 2hgh h THR 130 Cb 0.35 1.79 -0.01 0.00 -1.73 0.00 0.00 68.15 68.55 2hgh h THR 130 CO 0.01 0.00 -0.48 1.67 -0.25 0.00 0.00 175.52 176.47 2hgh n GLN 131 N -2.88 -2.46 -4.25 4.72 -0.06 0.94 -5.00 117.38 108.39 2hgh n GLN 131 Ca 0.03 0.83 -0.17 0.00 -2.00 0.00 0.00 57.00 55.69 2hgh n GLN 131 Cb 0.52 -5.50 -0.11 0.00 -4.06 0.00 0.00 30.24 21.09 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 -5.20 1.05 -0.13 3.69 1.03 -1.05 -5.04 119.66 114.00 2hgh s GLN 132 Ca 0.07 -1.32 -0.14 0.00 0.04 0.00 0.00 55.36 54.01 2hgh s GLN 132 Cb -0.03 -0.83 -0.05 0.00 0.03 0.00 0.00 33.01 32.13 2hgh s GLN 132 CO 0.09 0.14 0.33 -0.51 -2.54 0.00 0.00 175.29 172.80 2hgh s LEU 133 N -2.71 4.28 0.07 2.60 1.43 -1.26 -4.59 118.68 118.49 2hgh s LEU 133 Ca 0.12 0.60 -0.10 0.00 -1.03 0.00 0.00 54.13 53.73 2hgh s LEU 133 Cb -0.03 -2.43 -0.28 0.00 0.03 0.00 0.00 46.19 43.48 2hgh s LEU 133 CO 0.03 0.13 1.12 1.55 0.23 0.00 0.00 176.35 179.40 2hgh h PRO 134 N 6.37 0.44 -4.31 1.29 0.13 -1.87 -3.43 132.00 130.62 2hgh h PRO 134 Ca -0.43 -0.67 -0.74 0.00 -0.87 0.00 0.00 66.00 63.28 2hgh h PRO 134 Cb 1.18 0.24 -0.23 0.00 0.13 0.00 0.00 31.00 32.32 2hgh h PRO 134 CO 0.73 1.30 0.14 0.71 -0.23 0.00 0.00 178.00 180.66 2hgh s TYR 135 N -2.79 3.34 -0.03 1.56 2.02 -1.10 -4.98 117.35 115.37 2hgh s TYR 135 Ca -0.07 -1.46 -0.07 0.00 -0.37 0.00 0.00 57.07 55.10 2hgh s TYR 135 Cb 0.06 -3.94 -0.05 0.00 -0.40 0.00 0.00 41.96 37.63 2hgh s TYR 135 CO 0.91 -1.16 0.24 -1.83 -1.57 0.00 0.00 175.55 172.15 2hgh s GLU 136 N 1.57 3.57 -0.12 -0.62 -1.05 -1.26 -0.13 118.70 120.65 2hgh s GLU 136 Ca 0.15 -0.06 -0.29 0.00 -0.15 0.00 0.00 54.97 54.62 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 -0.02 0.69 1.27 0.00 0.95 0.00 0.00 175.26 178.15 2hgh n PRO 138 N 6.22 1.90 -2.24 0.00 -0.04 -1.26 -4.43 135.00 135.16 2hgh n PRO 138 Ca 0.13 -1.36 -0.35 0.00 -0.04 0.00 0.00 63.50 61.89 2hgh n PRO 138 Cb 0.45 -1.42 0.00 0.00 -0.04 0.00 0.00 33.50 32.50 2hgh n PRO 138 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 2hgh s HIS 139 N -1.72 2.68 0.17 0.54 3.76 -1.26 -4.96 115.29 114.50 2hgh s HIS 139 Ca 0.33 1.55 -0.32 0.00 -0.15 0.00 0.00 55.06 56.47 2hgh s HIS 139 Cb 0.18 -3.27 -0.10 0.00 1.11 0.00 0.00 32.58 30.50 2hgh s HIS 139 CO 0.27 -1.55 1.60 -1.21 -0.85 0.00 0.00 174.74 172.99 2hgh s GLU 140 N -3.34 4.20 0.00 1.40 2.02 -1.26 -2.26 118.70 119.46 2hgh s GLU 140 Ca 0.72 2.40 0.00 0.00 0.02 0.00 0.00 54.97 58.11 2hgh s GLU 140 Cb -0.23 -3.15 0.00 0.00 0.10 0.00 0.00 34.13 30.85 2hgh s GLU 140 CO 0.28 -0.63 0.00 0.41 0.02 0.00 0.00 175.26 175.33 2hgh n GLY 141 N 3.80 0.75 3.45 -1.39 0.00 -1.26 -5.04 105.19 105.50 2hgh n GLY 141 Ca 0.14 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.89 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 0.20 0.00 -4.76 0.00 2.03 -1.26 -4.71 116.55 108.05 2hgh n ASP 143 Ca -0.12 -1.34 -0.38 0.00 0.52 0.00 0.00 54.79 53.47 2hgh n ASP 143 Cb 0.56 -0.07 0.02 0.00 -0.72 0.00 0.00 41.12 40.91 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 3.42 0.05 -0.67 -0.14 -1.26 -4.79 119.74 116.35 2hgh s LYS 144 Ca 0.00 2.08 0.03 0.00 -1.36 0.00 0.00 55.97 56.73 2hgh s LYS 144 Cb 0.00 -2.36 -0.02 0.00 -1.68 0.00 0.00 37.83 33.77 2hgh s LYS 144 CO 0.00 -0.91 -0.10 1.03 -0.76 0.00 0.00 175.35 174.61 2hgh s ARG 145 N -2.77 0.64 0.14 1.68 0.52 -1.26 -0.53 118.95 117.36 2hgh s ARG 145 Ca 0.67 -0.79 0.03 0.00 -0.52 0.00 0.00 55.73 55.12 2hgh s ARG 145 Cb -0.36 -0.50 -0.04 0.00 0.52 0.00 0.00 34.95 34.56 2hgh s ARG 145 CO 0.44 0.11 -0.06 -0.06 0.02 0.00 0.00 175.30 175.75 2hgh s PHE 146 N -1.25 1.12 0.05 -0.53 0.08 0.81 -4.99 117.98 113.28 2hgh s PHE 146 Ca -0.06 -0.89 0.09 0.00 0.12 0.00 0.00 56.93 56.19 2hgh s PHE 146 Cb -0.09 -0.62 -0.20 0.00 -0.57 0.00 0.00 43.02 41.54 2hgh s PHE 146 CO 0.01 -0.09 1.12 0.66 -0.10 0.00 0.00 175.22 176.82 2hgh h SER 147 N 2.81 0.00 -3.99 1.36 4.64 -1.96 -2.92 113.55 113.49 2hgh h SER 147 Ca -0.36 0.00 -0.41 0.00 -0.47 0.00 0.00 61.79 60.54 2hgh h SER 147 Cb 1.19 0.00 -0.18 0.00 -0.31 0.00 0.00 62.40 63.10 2hgh h SER 147 CO 0.64 0.96 -0.76 -0.76 -0.87 0.00 0.00 176.83 176.04 2hgh s LEU 148 N -6.50 2.42 0.30 5.97 2.01 -1.26 -4.77 118.68 116.84 2hgh s LEU 148 Ca -0.00 -0.83 0.03 0.00 0.01 0.00 0.00 54.13 53.33 2hgh s LEU 148 Cb 0.09 -0.55 0.47 0.00 0.01 0.00 0.00 46.19 46.21 2hgh s LEU 148 CO 0.82 -0.15 1.78 1.55 1.01 0.00 0.00 176.35 181.35 2hgh h PRO 149 N 3.42 0.53 -0.17 1.29 0.13 -1.94 -1.99 132.00 133.26 2hgh h PRO 149 Ca -0.40 -0.16 -0.09 0.00 -0.87 0.00 0.00 66.00 64.49 2hgh h PRO 149 Cb 1.20 -0.05 -0.01 0.00 0.13 0.00 0.00 31.00 32.26 2hgh h PRO 149 CO 0.52 0.66 -0.27 0.77 -0.23 0.00 0.00 178.00 179.44 2hgh h SER 150 N 0.48 0.33 0.10 1.44 0.02 -1.98 0.78 113.55 114.72 2hgh h SER 150 Ca 0.09 -0.11 -0.19 0.00 -0.84 0.00 0.00 61.79 60.74 2hgh h SER 150 Cb 0.53 -0.09 -0.00 0.00 0.14 0.00 0.00 62.40 62.98 2hgh h SER 150 CO 0.03 0.60 -0.72 0.03 -1.14 0.00 0.00 176.83 175.64 2hgh h ARG 151 N 0.29 0.55 -0.30 3.45 3.08 -1.87 -0.75 114.38 118.83 2hgh h ARG 151 Ca 0.04 -0.43 -0.04 0.00 0.07 0.00 0.00 59.98 59.62 2hgh h ARG 151 Cb 0.64 0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.76 2hgh h ARG 151 CO 0.05 1.06 0.03 1.25 -1.07 0.00 0.00 179.97 181.28 2hgh h LEU 152 N 0.38 0.50 -0.94 3.04 5.85 -1.17 -0.79 115.31 122.17 2hgh h LEU 152 Ca -0.03 -0.28 0.11 0.00 0.84 0.00 0.00 57.88 58.52 2hgh h LEU 152 Cb 1.31 -0.13 -0.08 0.00 0.37 0.00 0.00 40.66 42.12 2hgh h LEU 152 CO 0.13 0.66 0.58 0.50 -0.34 0.00 0.00 178.44 179.96 2hgh h LYS 153 N 0.32 0.90 -0.50 1.25 3.64 -0.73 -0.65 116.57 120.81 2hgh h LYS 153 Ca 0.09 -0.05 -0.11 0.00 -1.27 0.00 0.00 60.65 59.30 2hgh h LYS 153 Cb 0.38 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 31.99 2hgh h LYS 153 CO 0.01 0.60 -0.14 -0.09 -2.27 0.00 0.00 179.45 177.56 2hgh h ARG 154 N 0.93 0.97 -0.38 1.90 2.43 -0.91 -2.94 114.38 116.37 2hgh h ARG 154 Ca 0.46 -0.38 -0.01 0.00 -0.81 0.00 0.00 59.98 59.24 2hgh h ARG 154 Cb 0.44 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.92 2hgh h ARG 154 CO -0.26 1.05 0.19 1.25 -1.51 0.00 0.00 179.97 180.69 2hgh h HIS 155 N 0.83 0.51 -0.16 2.20 2.76 0.14 -1.77 115.15 119.65 2hgh h HIS 155 Ca 0.12 -0.00 0.05 0.00 -2.20 0.00 0.00 60.37 58.33 2hgh h HIS 155 Cb 0.70 -0.17 -0.01 0.00 1.55 0.00 0.00 27.41 29.49 2hgh h HIS 155 CO 0.05 0.37 0.11 0.93 -1.30 0.00 0.00 177.93 178.10 2hgh h GLU 156 N 0.53 0.01 -0.03 5.26 5.08 -0.98 0.02 114.58 124.46 2hgh h GLU 156 Ca 0.14 -0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.50 2hgh h GLU 156 Cb 0.04 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.29 2hgh h GLU 156 CO -0.02 0.00 0.04 -0.22 -1.00 0.00 0.00 179.01 177.81 2hgh h LYS 157 N 0.01 0.00 -0.83 2.33 1.63 -1.38 -0.86 116.57 117.47 2hgh h LYS 157 Ca 0.08 0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 59.86 2hgh h LYS 157 Cb 0.29 0.00 -0.04 0.00 -0.60 0.00 0.00 32.23 31.89 2hgh h LYS 157 CO -0.00 0.00 0.44 0.28 -3.45 0.00 0.00 179.45 176.72 2hgh h VAL 158 N 0.00 1.25 0.02 2.00 2.07 -1.12 0.17 116.25 120.63 2hgh h VAL 158 Ca 0.02 -0.62 -0.20 0.00 0.82 0.00 0.00 66.70 66.71 2hgh h VAL 158 Cb 0.09 0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 29.99 2hgh h VAL 158 CO -0.00 0.28 -0.92 0.45 0.02 0.00 0.00 177.57 177.39 2hgh h HIS 159 N 1.15 0.23 0.00 1.57 3.86 -1.32 -3.18 115.15 117.46 2hgh h HIS 159 Ca 0.29 -0.14 -0.12 0.00 -1.16 0.00 0.00 60.37 59.25 2hgh h HIS 159 Cb 0.05 -0.02 -0.02 0.00 1.06 0.00 0.00 27.41 28.48 2hgh h HIS 159 CO 0.01 0.99 -0.55 0.00 0.86 0.00 0.00 177.93 179.23 2hgh h ALA 160 N 0.97 0.99 0.00 2.45 0.00 -0.97 -3.50 119.26 119.19 2hgh h ALA 160 Ca -0.04 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.36 2hgh h ALA 160 Cb 1.58 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.28 2hgh h ALA 160 CO 0.14 0.69 0.00 0.41 0.00 0.00 0.00 179.25 180.49 2hgh n GLY 161 N 0.23 -0.44 2.88 0.00 0.00 0.57 -4.91 105.19 103.53 2hgh n GLY 161 Ca -0.01 -1.76 -0.30 0.00 0.00 0.00 0.00 46.02 43.95 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 -1.68 2.86 0.25 1.61 1.51 0.41 -4.84 117.35 117.46 2hgh s TYR 162 Ca 0.00 -2.72 -0.29 0.00 -1.01 0.00 0.00 57.07 53.05 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 0.93 -1.25 -1.11 0.00 0.00 175.55 173.28 2hgh s PRO 163 N 0.53 4.78 0.36 -1.71 0.04 -1.26 -0.83 135.00 136.91 2hgh s PRO 163 Ca 0.14 1.43 -0.27 0.00 0.04 0.00 0.00 61.00 62.34 2hgh s PRO 163 Cb -0.22 -3.18 -0.09 0.00 0.04 0.00 0.00 34.50 31.05 2hgh s PRO 163 CO -0.07 0.47 1.19 0.00 0.04 0.00 0.00 177.00 178.64 2hgh n LYS 165 N 0.46 0.00 0.26 0.00 2.85 -1.26 -4.78 118.16 115.70 2hgh n LYS 165 Ca 0.02 -0.50 0.15 0.00 -1.05 0.00 0.00 58.31 56.93 2hgh n LYS 165 Cb 0.45 -0.41 0.69 0.00 -0.65 0.00 0.00 35.03 35.11 2hgh n LYS 165 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 177.40 178.22 2hgh h LYS 166 N 0.00 0.00 -3.16 -1.58 1.79 -1.98 -3.43 116.57 108.20 2hgh h LYS 166 Ca 0.00 0.00 -0.16 0.00 -2.18 0.00 0.00 60.65 58.31 2hgh h LYS 166 Cb 1.07 0.00 -0.24 0.00 -1.58 0.00 0.00 32.23 31.48 2hgh h LYS 166 CO 0.00 0.10 -0.42 0.34 -1.08 0.00 0.00 179.45 178.39 2hgh s ASP 167 N -5.90 -0.22 0.53 0.86 2.15 -1.26 -5.05 116.67 107.78 2hgh s ASP 167 Ca -0.01 0.38 0.28 0.00 0.43 0.00 0.00 52.55 53.63 2hgh s ASP 167 Cb 0.11 0.45 1.47 0.00 -0.30 0.00 0.00 42.92 44.66 2hgh s ASP 167 CO 0.57 -0.16 2.07 -2.24 -0.17 0.00 0.00 175.17 175.24 2hgh h ASP 168 N 5.37 0.00 -0.51 -0.34 3.04 -1.96 -2.42 116.42 119.59 2hgh h ASP 168 Ca -0.27 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.52 2hgh h ASP 168 Cb 1.19 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.48 2hgh h ASP 168 CO 0.36 0.11 0.00 -1.20 -2.04 0.00 0.00 179.24 176.47 2hgh n SER 169 N -3.57 5.21 -4.93 4.15 7.64 -1.26 -4.94 113.62 115.91 2hgh n SER 169 Ca -0.02 -2.90 -0.25 0.00 1.01 0.00 0.00 58.87 56.72 2hgh n SER 169 Cb 0.24 -0.64 -0.01 0.00 -1.01 0.00 0.00 64.21 62.79 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 -1.62 0.00 -4.77 0.00 3.41 -1.26 -4.96 113.62 104.41 2hgh n SER 171 Ca -0.04 -1.00 -0.41 0.00 -0.26 0.00 0.00 58.87 57.16 2hgh n SER 171 Cb 0.56 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.49 2hgh n SER 171 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 2hgh s PHE 172 N 0.00 2.89 -0.11 7.33 2.19 -1.26 -4.85 117.98 124.16 2hgh s PHE 172 Ca 0.00 1.32 0.00 0.00 0.33 0.00 0.00 56.93 58.58 2hgh s PHE 172 Cb 0.00 -3.80 0.02 0.00 -1.31 0.00 0.00 43.02 37.93 2hgh s PHE 172 CO 0.00 -2.27 -0.10 0.08 1.83 0.00 0.00 175.22 174.77 2hgh s VAL 173 N -1.12 1.17 0.05 3.12 1.01 -1.26 -0.71 120.40 122.66 2hgh s VAL 173 Ca 0.50 -0.40 -0.25 0.00 0.00 0.00 0.00 61.98 61.84 2hgh s VAL 173 Cb -0.42 -1.15 -0.05 0.00 0.00 0.00 0.00 36.38 34.76 2hgh s VAL 173 CO 0.56 0.39 0.77 -0.83 0.00 0.00 0.00 175.10 176.00 2hgh s GLY 174 N 1.51 2.80 0.45 4.51 0.00 -0.01 -4.79 107.32 111.79 2hgh s GLY 174 Ca 0.02 0.30 0.31 0.00 0.00 0.00 0.00 44.72 45.35 2hgh s GLY 174 CO -0.07 1.11 1.92 1.70 0.00 0.00 0.00 173.10 177.76 2hgh h LYS 175 N 5.65 0.00 -3.65 2.90 3.64 -1.89 0.12 116.57 123.33 2hgh h LYS 175 Ca -0.44 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 58.87 2hgh h LYS 175 Cb 1.21 0.00 -0.12 0.00 -0.41 0.00 0.00 32.23 32.90 2hgh h LYS 175 CO 0.71 0.00 -0.20 0.95 -2.27 0.00 0.00 179.45 178.63 2hgh s THR 176 N -3.62 0.07 0.24 1.00 -4.23 -1.26 -4.68 115.64 103.16 2hgh s THR 176 Ca 0.01 -1.07 -0.06 0.00 -1.18 0.00 0.00 61.69 59.39 2hgh s THR 176 Cb 0.09 -1.58 0.23 0.00 1.34 0.00 0.00 72.50 72.59 2hgh s THR 176 CO 0.42 -0.32 1.88 -0.25 -0.54 0.00 0.00 174.62 175.81 2hgh h TRP 177 N 2.47 1.10 -0.41 3.99 -0.00 -1.95 -2.23 115.95 118.93 2hgh h TRP 177 Ca -0.32 0.03 0.04 0.00 -0.00 0.00 0.00 58.89 58.64 2hgh h TRP 177 Cb 1.24 -0.36 -0.04 0.00 -0.00 0.00 0.00 29.16 29.99 2hgh h TRP 177 CO 0.38 0.62 0.18 1.79 -0.00 0.00 0.00 178.44 181.41 2hgh h THR 178 N 1.12 0.94 -0.40 2.65 1.35 -1.98 -1.43 112.91 115.16 2hgh h THR 178 Ca 0.37 -0.13 -0.02 0.00 -0.55 0.00 0.00 66.41 66.08 2hgh h THR 178 Cb 0.04 0.53 -0.02 0.00 -1.73 0.00 0.00 68.15 66.97 2hgh h THR 178 CO -0.13 0.07 0.15 -0.07 -0.25 0.00 0.00 175.52 175.28 2hgh h LEU 179 N 0.38 0.51 -0.07 3.87 3.38 -1.80 0.19 115.31 121.77 2hgh h LEU 179 Ca 0.18 -0.06 -0.03 0.00 0.09 0.00 0.00 57.88 58.06 2hgh h LEU 179 Cb 0.11 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.73 2hgh h LEU 179 CO -0.15 0.48 -0.08 0.22 0.09 0.00 0.00 178.44 179.01 2hgh h TYR 180 N 0.57 0.22 -0.86 1.13 3.20 -1.21 -0.96 116.97 119.06 2hgh h TYR 180 Ca 0.14 -0.07 0.01 0.00 3.14 0.00 0.00 58.73 61.95 2hgh h TYR 180 Cb 0.14 -0.05 -0.04 0.00 1.54 0.00 0.00 36.73 38.32 2hgh h TYR 180 CO 0.01 0.63 0.57 -0.07 -1.64 0.00 0.00 178.16 177.65 2hgh h LEU 181 N -0.25 0.98 -0.51 2.82 3.38 -0.82 0.15 115.31 121.06 2hgh h LEU 181 Ca 0.01 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 2hgh h LEU 181 Cb 0.59 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 2hgh h LEU 181 CO 0.02 0.70 0.16 0.11 0.09 0.00 0.00 178.44 179.53 2hgh h LYS 182 N 1.16 0.79 -0.66 1.13 1.57 -0.64 -1.01 116.57 118.90 2hgh h LYS 182 Ca 0.32 -0.17 -0.02 0.00 -1.87 0.00 0.00 60.65 58.92 2hgh h LYS 182 Cb -0.11 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.05 2hgh h LYS 182 CO -0.08 0.73 0.34 1.25 -0.57 0.00 0.00 179.45 181.12 2hgh h HIS 183 N 0.69 0.93 -0.44 -1.35 2.76 -0.56 -2.46 115.15 114.72 2hgh h HIS 183 Ca 0.16 -0.04 -0.01 0.00 -2.20 0.00 0.00 60.37 58.29 2hgh h HIS 183 Cb 0.26 -0.29 -0.02 0.00 1.55 0.00 0.00 27.41 28.91 2hgh h HIS 183 CO 0.01 0.68 0.22 0.28 -1.30 0.00 0.00 177.93 177.83 2hgh h VAL 184 N 0.91 1.17 -0.10 5.26 2.07 -0.47 0.31 116.25 125.39 2hgh h VAL 184 Ca 0.23 -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 0.19 -0.13 0.00 0.02 0.00 0.00 177.57 177.61 2hgh h ALA 185 N 1.07 1.59 0.00 1.67 0.00 -1.01 0.88 119.26 123.45 2hgh h ALA 185 Ca 0.15 -0.18 -0.24 0.00 0.00 0.00 0.00 54.91 54.64 2hgh h ALA 185 Cb 0.09 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 2hgh h ALA 185 CO -0.02 0.30 -1.54 1.49 0.00 0.00 0.00 179.25 179.48 2hgh h GLU 186 N 0.15 0.00 0.00 0.00 4.81 -1.06 -3.32 114.58 115.16 2hgh h GLU 186 Ca 0.03 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 2hgh h GLU 186 Cb 0.34 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.72 2hgh h GLU 186 CO 0.02 0.45 -1.22 0.00 -0.73 0.00 0.00 179.01 177.53 2hgh n HIS 188 N -1.68 0.00 -4.17 0.00 8.25 0.26 -5.04 115.22 112.84 2hgh n HIS 188 Ca -0.01 -0.16 -0.13 0.00 -0.26 0.00 0.00 57.72 57.15 2hgh n HIS 188 Cb 0.17 -0.03 -0.08 0.00 1.12 0.00 0.00 29.99 31.17 2hgh n HIS 188 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 2hgh s GLN 189 N -0.38 1.48 0.00 -0.41 -0.21 -0.94 -4.95 119.66 114.25 2hgh s GLN 189 Ca 0.02 -1.66 0.00 0.00 0.02 0.00 0.00 55.36 53.74 2hgh s GLN 189 Cb 0.02 0.34 0.00 0.00 1.00 0.00 0.00 33.01 34.37 2hgh s GLN 189 CO 0.00 -0.54 0.00 -3.47 -2.12 0.00 0.00 175.29 169.16