#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 -4.94 117.35 117.91 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 39.71 2hgh s TYR 105 CO 0.00 -0.34 -0.07 0.08 -1.11 0.00 0.00 175.55 174.11 2hgh s VAL 106 N 1.21 3.67 -0.03 0.71 1.01 -1.26 -0.25 120.40 125.46 2hgh s VAL 106 Ca 0.03 -0.49 -0.30 0.00 0.00 0.00 0.00 61.98 61.23 2hgh s VAL 106 Cb -0.15 -2.51 -0.03 0.00 0.00 0.00 0.00 36.38 33.70 2hgh s VAL 106 CO 0.01 0.59 1.10 0.00 0.00 0.00 0.00 175.10 176.80 2hgh n HIS 108 N 4.52 1.28 -1.40 0.00 8.25 -1.26 -2.55 115.22 124.06 2hgh n HIS 108 Ca 0.09 -1.18 -0.35 0.00 -0.26 0.00 0.00 57.72 56.02 2hgh n HIS 108 Cb 0.48 -0.45 0.10 0.00 1.12 0.00 0.00 29.99 31.24 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 -3.00 1.98 -0.18 4.41 2.19 -1.26 -4.83 117.98 117.29 2hgh s PHE 109 Ca 0.45 1.60 -0.32 0.00 0.33 0.00 0.00 56.93 58.99 2hgh s PHE 109 Cb 0.38 -3.52 -0.09 0.00 -1.31 0.00 0.00 43.02 38.47 2hgh s PHE 109 CO 0.07 -2.75 2.07 0.39 1.83 0.00 0.00 175.22 176.82 2hgh n GLU 110 N -2.74 1.91 -1.16 10.12 1.02 -1.26 -1.34 120.64 127.19 2hgh n GLU 110 Ca 0.14 0.62 -0.06 0.00 -0.02 0.00 0.00 57.16 57.84 2hgh n GLU 110 Cb 0.50 -2.81 -0.02 0.00 -0.02 0.00 0.00 31.44 29.09 2hgh n GLU 110 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2hgh n ASN 111 N 9.01 -4.42 0.00 1.62 4.13 -1.26 -4.94 115.26 119.40 2hgh n ASN 111 Ca 0.29 0.14 0.00 0.00 1.68 0.00 0.00 54.58 56.69 2hgh n ASN 111 Cb 0.33 -2.40 0.00 0.00 -1.54 0.00 0.00 39.78 36.17 2hgh n ASN 111 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2hgh n GLY 113 N 2.41 0.52 3.77 0.00 0.00 -1.06 -5.01 105.19 105.83 2hgh n GLY 113 Ca 0.00 -0.23 -0.39 0.00 0.00 0.00 0.00 46.02 45.40 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 -1.32 4.14 -0.04 1.61 2.20 -1.25 -4.79 119.74 120.30 2hgh s LYS 114 Ca 0.00 1.87 0.06 0.00 -0.36 0.00 0.00 55.97 57.55 2hgh s LYS 114 Cb 0.00 -2.77 -0.01 0.00 -1.51 0.00 0.00 37.83 33.54 2hgh s LYS 114 CO 0.00 -0.25 -0.23 0.00 -0.36 0.00 0.00 175.35 174.51 2hgh s ALA 115 N -1.36 1.94 0.11 3.13 0.00 -1.26 -0.29 121.76 124.02 2hgh s ALA 115 Ca 0.55 -0.96 0.08 0.00 0.00 0.00 0.00 51.96 51.63 2hgh s ALA 115 Cb -0.32 -0.56 -0.04 0.00 0.00 0.00 0.00 23.12 22.20 2hgh s ALA 115 CO 0.40 0.41 -0.19 -0.06 0.00 0.00 0.00 175.76 176.32 2hgh s PHE 116 N -0.28 1.69 0.36 0.00 0.40 0.65 -4.98 117.98 115.82 2hgh s PHE 116 Ca 0.02 -0.44 0.06 0.00 -0.60 0.00 0.00 56.93 55.96 2hgh s PHE 116 Cb -0.11 -0.91 0.70 0.00 0.51 0.00 0.00 43.02 43.20 2hgh s PHE 116 CO 0.01 0.21 1.93 -0.22 0.70 0.00 0.00 175.22 177.85 2hgh h LYS 117 N 3.90 0.49 -4.36 0.44 3.64 -1.97 -0.16 116.57 118.55 2hgh h LYS 117 Ca -0.44 -0.08 -0.25 0.00 -1.27 0.00 0.00 60.65 58.60 2hgh h LYS 117 Cb 1.19 -0.08 -0.22 0.00 -0.41 0.00 0.00 32.23 32.70 2hgh h LYS 117 CO 0.43 0.48 -0.73 0.15 -2.27 0.00 0.00 179.45 177.50 2hgh s LYS 118 N -5.08 0.44 0.44 1.90 -0.14 -1.26 -4.56 119.74 111.48 2hgh s LYS 118 Ca -0.07 -0.64 0.17 0.00 -1.36 0.00 0.00 55.97 54.06 2hgh s LYS 118 Cb 0.16 -0.19 1.01 0.00 -1.68 0.00 0.00 37.83 37.13 2hgh s LYS 118 CO 0.75 0.03 1.95 1.12 -0.76 0.00 0.00 175.35 178.44 2hgh h HIS 119 N 4.73 0.00 -0.64 3.18 2.07 -1.91 -1.17 115.15 121.41 2hgh h HIS 119 Ca -0.34 0.00 -0.06 0.00 -2.85 0.00 0.00 60.37 57.12 2hgh h HIS 119 Cb 1.20 0.00 -0.03 0.00 2.57 0.00 0.00 27.41 31.16 2hgh h HIS 119 CO 0.62 0.23 0.14 -0.91 -3.07 0.00 0.00 177.93 174.95 2hgh h ASN 120 N 0.00 0.96 0.31 3.10 2.35 -1.99 0.13 115.58 120.43 2hgh h ASN 120 Ca -0.00 -0.20 -0.17 0.00 -0.55 0.00 0.00 56.30 55.38 2hgh h ASN 120 Cb 0.45 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.56 2hgh h ASN 120 CO 0.03 0.93 -0.68 1.56 -1.65 0.00 0.00 177.43 177.62 2hgh h GLN 121 N 0.96 0.34 -0.25 0.81 1.08 -1.77 -1.06 115.11 115.23 2hgh h GLN 121 Ca 0.20 -0.26 -0.01 0.00 -1.45 0.00 0.00 58.65 57.13 2hgh h GLN 121 Cb 0.36 0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 27.83 2hgh h GLN 121 CO 0.00 0.89 0.11 1.25 -0.95 0.00 0.00 178.83 180.14 2hgh h LEU 122 N 0.24 0.33 -1.14 1.46 5.85 -0.91 -0.83 115.31 120.31 2hgh h LEU 122 Ca -0.02 -0.14 -0.02 0.00 0.84 0.00 0.00 57.88 58.54 2hgh h LEU 122 Cb 1.23 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 42.15 2hgh h LEU 122 CO 0.11 0.37 0.32 0.11 -0.34 0.00 0.00 178.44 179.02 2hgh h LYS 123 N 0.26 0.92 -0.86 1.25 1.57 -0.67 -0.77 116.57 118.26 2hgh h LYS 123 Ca 0.08 -0.12 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 2hgh h LYS 123 Cb 0.14 -0.18 -0.04 0.00 0.08 0.00 0.00 32.23 32.23 2hgh h LYS 123 CO -0.01 0.71 0.54 0.28 -0.57 0.00 0.00 179.45 180.40 2hgh h VAL 124 N 0.92 1.23 -0.24 0.50 2.07 -0.87 -1.75 116.25 118.10 2hgh h VAL 124 Ca 0.23 -0.47 -0.07 0.00 0.82 0.00 0.00 66.70 67.21 2hgh h VAL 124 Cb 0.09 -0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 29.85 2hgh h VAL 124 CO -0.03 0.23 -0.12 -0.74 0.02 0.00 0.00 177.57 176.94 2hgh h HIS 125 N 1.17 0.59 -0.13 1.57 -0.00 -0.34 -3.16 115.15 114.86 2hgh h HIS 125 Ca 0.31 -0.14 -0.05 0.00 -0.00 0.00 0.00 60.37 60.49 2hgh h HIS 125 Cb -0.08 -0.14 -0.01 0.00 -0.00 0.00 0.00 27.41 27.18 2hgh h HIS 125 CO -0.01 0.77 -0.15 1.96 -0.00 0.00 0.00 177.93 180.51 2hgh h GLN 126 N 0.23 0.20 -0.45 5.26 4.20 -0.97 -1.39 115.11 122.20 2hgh h GLN 126 Ca 0.05 -0.05 0.13 0.00 0.06 0.00 0.00 58.65 58.85 2hgh h GLN 126 Cb 0.62 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.35 2hgh h GLN 126 CO 0.04 0.36 0.35 0.27 -0.67 0.00 0.00 178.83 179.18 2hgh h PHE 127 N 0.19 0.00 -0.15 2.96 -5.15 -1.28 -0.67 116.94 112.84 2hgh h PHE 127 Ca 0.04 0.00 -0.04 0.00 -0.20 0.00 0.00 57.97 57.77 2hgh h PHE 127 Cb 0.39 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 36.56 2hgh h PHE 127 CO 0.01 0.00 -0.05 1.03 -2.00 0.00 0.00 178.31 177.30 2hgh h SER 128 N 0.00 0.30 -0.40 -0.68 0.87 -1.34 0.23 113.55 112.52 2hgh h SER 128 Ca 0.21 -0.38 -0.05 0.00 -1.23 0.00 0.00 61.79 60.33 2hgh h SER 128 Cb 0.91 -0.08 -0.02 0.00 -0.44 0.00 0.00 62.40 62.77 2hgh h SER 128 CO -0.00 0.62 0.07 0.45 -0.53 0.00 0.00 176.83 177.44 2hgh h HIS 129 N -0.02 0.77 0.00 2.24 3.86 -1.24 -2.27 115.15 118.48 2hgh h HIS 129 Ca 0.04 -0.08 0.00 0.00 -1.16 0.00 0.00 60.37 59.17 2hgh h HIS 129 Cb 0.49 -0.22 0.00 0.00 1.06 0.00 0.00 27.41 28.74 2hgh h HIS 129 CO 0.06 0.68 -0.15 1.79 0.86 0.00 0.00 177.93 181.17 2hgh h THR 130 N 0.71 0.00 -4.31 2.45 1.35 -1.17 -3.47 112.91 108.47 2hgh h THR 130 Ca 0.15 -0.80 -0.34 0.00 -0.55 0.00 0.00 66.41 64.87 2hgh h THR 130 Cb 0.33 1.72 -0.01 0.00 -1.73 0.00 0.00 68.15 68.45 2hgh h THR 130 CO 0.01 0.00 -0.48 1.67 -0.25 0.00 0.00 175.52 176.46 2hgh n GLN 131 N -2.72 -3.10 -4.23 4.72 -0.06 0.79 -5.00 117.38 107.77 2hgh n GLN 131 Ca 0.04 0.69 -0.16 0.00 -2.00 0.00 0.00 57.00 55.57 2hgh n GLN 131 Cb 0.49 -5.40 -0.11 0.00 -4.06 0.00 0.00 30.24 21.17 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 -5.46 1.00 -0.15 3.69 1.03 -1.04 -5.04 119.66 113.70 2hgh s GLN 132 Ca 0.18 -1.28 -0.13 0.00 0.04 0.00 0.00 55.36 54.18 2hgh s GLN 132 Cb -0.09 -0.76 -0.05 0.00 0.03 0.00 0.00 33.01 32.14 2hgh s GLN 132 CO 0.22 0.13 0.27 -0.51 -2.54 0.00 0.00 175.29 172.86 2hgh s LEU 133 N -2.64 4.28 0.04 2.60 1.43 -1.26 -4.61 118.68 118.52 2hgh s LEU 133 Ca 0.10 0.51 -0.13 0.00 -1.03 0.00 0.00 54.13 53.58 2hgh s LEU 133 Cb -0.03 -2.33 -0.34 0.00 0.03 0.00 0.00 46.19 43.53 2hgh s LEU 133 CO 0.02 0.16 1.04 1.55 0.23 0.00 0.00 176.35 179.35 2hgh h PRO 134 N 6.32 0.48 -4.64 1.29 0.13 -1.90 -3.43 132.00 130.25 2hgh h PRO 134 Ca -0.43 -0.81 -0.72 0.00 -0.87 0.00 0.00 66.00 63.17 2hgh h PRO 134 Cb 1.17 0.30 -0.20 0.00 0.13 0.00 0.00 31.00 32.40 2hgh h PRO 134 CO 0.73 1.39 0.42 0.71 -0.23 0.00 0.00 178.00 181.01 2hgh s TYR 135 N -2.63 3.23 -0.01 1.56 2.02 -1.08 -4.97 117.35 115.47 2hgh s TYR 135 Ca -0.08 -1.38 -0.08 0.00 -0.37 0.00 0.00 57.07 55.16 2hgh s TYR 135 Cb 0.05 -4.09 -0.05 0.00 -0.40 0.00 0.00 41.96 37.47 2hgh s TYR 135 CO 0.93 -1.31 0.28 -1.83 -1.57 0.00 0.00 175.55 172.05 2hgh s GLU 136 N 2.10 3.62 -0.13 -0.62 -1.05 -1.26 -0.02 118.70 121.34 2hgh s GLU 136 Ca 0.22 0.01 -0.29 0.00 -0.15 0.00 0.00 54.97 54.76 2hgh s GLU 136 Cb -0.12 -3.11 -0.02 0.00 -0.44 0.00 0.00 34.13 30.43 2hgh s GLU 136 CO -0.04 0.67 1.31 0.00 0.95 0.00 0.00 175.26 178.15 2hgh n PRO 138 N 6.38 1.65 -1.96 0.00 -0.04 -1.26 -4.56 135.00 135.21 2hgh n PRO 138 Ca 0.14 -0.97 -0.39 0.00 -0.04 0.00 0.00 63.50 62.24 2hgh n PRO 138 Cb 0.45 -1.38 0.01 0.00 -0.04 0.00 0.00 33.50 32.53 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 -1.82 2.64 -0.21 0.54 2.46 -1.26 -4.92 115.29 112.72 2hgh s HIS 139 Ca 0.32 1.38 -0.29 0.00 0.47 0.00 0.00 55.06 56.94 2hgh s HIS 139 Cb 0.17 -3.73 -0.04 0.00 -0.13 0.00 0.00 32.58 28.86 2hgh s HIS 139 CO 0.26 -2.39 1.79 -1.21 -2.47 0.00 0.00 174.74 170.72 2hgh s GLU 140 N -2.47 3.65 0.00 2.88 2.02 -1.26 -1.95 118.70 121.58 2hgh s GLU 140 Ca 0.61 1.80 0.00 0.00 0.02 0.00 0.00 54.97 57.40 2hgh s GLU 140 Cb -0.39 -4.13 0.00 0.00 0.10 0.00 0.00 34.13 29.71 2hgh s GLU 140 CO 0.49 -1.48 0.00 0.41 0.02 0.00 0.00 175.26 174.70 2hgh n GLY 141 N 4.95 0.49 3.78 -1.39 0.00 -1.26 -5.09 105.19 106.67 2hgh n GLY 141 Ca 0.21 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.75 0.00 -4.76 0.00 2.03 -1.26 -4.80 116.55 107.01 2hgh n ASP 143 Ca -0.08 -1.09 -0.37 0.00 0.52 0.00 0.00 54.79 53.77 2hgh n ASP 143 Cb 0.57 -0.02 0.01 0.00 -0.72 0.00 0.00 41.12 40.95 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 3.53 0.05 -0.67 -0.14 -1.26 -4.88 119.74 116.38 2hgh s LYS 144 Ca 0.00 1.89 0.03 0.00 -1.36 0.00 0.00 55.97 56.53 2hgh s LYS 144 Cb 0.00 -2.32 -0.03 0.00 -1.68 0.00 0.00 37.83 33.80 2hgh s LYS 144 CO 0.00 -0.77 -0.09 1.03 -0.76 0.00 0.00 175.35 174.76 2hgh s ARG 145 N -2.81 0.61 0.11 1.68 0.52 -1.26 -1.01 118.95 116.78 2hgh s ARG 145 Ca 0.67 -0.84 0.03 0.00 -0.52 0.00 0.00 55.73 55.07 2hgh s ARG 145 Cb -0.32 -0.38 -0.04 0.00 0.52 0.00 0.00 34.95 34.73 2hgh s ARG 145 CO 0.38 0.07 -0.08 -0.06 0.02 0.00 0.00 175.30 175.62 2hgh s PHE 146 N -1.55 1.03 -0.36 -0.53 0.08 0.97 -4.98 117.98 112.65 2hgh s PHE 146 Ca -0.07 -0.82 0.23 0.00 0.12 0.00 0.00 56.93 56.39 2hgh s PHE 146 Cb -0.09 -0.56 0.18 0.00 -0.57 0.00 0.00 43.02 41.98 2hgh s PHE 146 CO 0.00 -0.05 1.31 0.66 -0.10 0.00 0.00 175.22 177.04 2hgh h SER 147 N 3.01 0.00 -5.06 1.36 4.64 -1.96 -2.87 113.55 112.67 2hgh h SER 147 Ca -0.36 -0.01 -0.13 0.00 -0.47 0.00 0.00 61.79 60.82 2hgh h SER 147 Cb 1.18 0.00 -0.18 0.00 -0.31 0.00 0.00 62.40 63.08 2hgh h SER 147 CO 0.62 0.01 -0.53 -0.76 -0.87 0.00 0.00 176.83 175.30 2hgh s LEU 148 N -5.61 1.79 0.52 5.97 1.43 -1.26 -4.84 118.68 116.68 2hgh s LEU 148 Ca 0.03 -0.48 0.27 0.00 -1.03 0.00 0.00 54.13 52.92 2hgh s LEU 148 Cb 0.08 0.58 1.44 0.00 0.03 0.00 0.00 46.19 48.33 2hgh s LEU 148 CO 0.73 -0.47 2.07 1.55 0.23 0.00 0.00 176.35 180.46 2hgh h PRO 149 N 3.82 0.00 -0.54 1.29 0.13 -1.95 -2.30 132.00 132.44 2hgh h PRO 149 Ca -0.32 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.71 2hgh h PRO 149 Cb 1.19 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.30 2hgh h PRO 149 CO 0.48 0.12 -0.03 0.66 -0.23 0.00 0.00 178.00 179.00 2hgh h SER 150 N 0.00 0.96 0.21 1.44 4.64 -1.98 0.17 113.55 118.99 2hgh h SER 150 Ca -0.00 -0.32 -0.18 0.00 -0.47 0.00 0.00 61.79 60.82 2hgh h SER 150 Cb 0.32 -0.26 -0.00 0.00 -0.31 0.00 0.00 62.40 62.15 2hgh h SER 150 CO 0.02 1.05 -0.70 0.03 -0.87 0.00 0.00 176.83 176.36 2hgh h ARG 151 N 0.84 0.43 -0.41 4.77 2.47 -1.85 -1.53 114.38 119.11 2hgh h ARG 151 Ca 0.15 -0.34 -0.04 0.00 -1.26 0.00 0.00 59.98 58.49 2hgh h ARG 151 Cb 0.58 0.07 -0.02 0.00 -1.65 0.00 0.00 29.97 28.95 2hgh h ARG 151 CO 0.03 0.97 0.08 1.25 0.56 0.00 0.00 179.97 182.86 2hgh h LEU 152 N 0.30 0.63 -0.66 3.04 5.85 -1.38 -0.42 115.31 122.69 2hgh h LEU 152 Ca -0.02 -0.25 0.09 0.00 0.84 0.00 0.00 57.88 58.53 2hgh h LEU 152 Cb 1.27 -0.17 -0.07 0.00 0.37 0.00 0.00 40.66 42.06 2hgh h LEU 152 CO 0.12 0.72 0.31 0.50 -0.34 0.00 0.00 178.44 179.75 2hgh h LYS 153 N 0.52 0.53 -0.60 1.25 3.64 -0.48 0.19 116.57 121.61 2hgh h LYS 153 Ca 0.12 -0.03 -0.09 0.00 -1.27 0.00 0.00 60.65 59.38 2hgh h LYS 153 Cb 0.34 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.02 2hgh h LYS 153 CO 0.00 0.35 0.03 0.00 -2.27 0.00 0.00 179.45 177.56 2hgh h ARG 154 N 0.54 1.04 -0.80 1.90 2.47 -1.12 -2.94 114.38 115.47 2hgh h ARG 154 Ca 0.32 -0.32 -0.03 0.00 -1.26 0.00 0.00 59.98 58.70 2hgh h ARG 154 Cb 0.33 -0.10 -0.04 0.00 -1.65 0.00 0.00 29.97 28.51 2hgh h ARG 154 CO -0.26 1.01 0.40 1.25 0.56 0.00 0.00 179.97 182.93 2hgh h HIS 155 N 0.94 1.14 -0.26 3.04 2.76 0.05 -2.24 115.15 120.59 2hgh h HIS 155 Ca 0.17 -0.05 0.04 0.00 -2.20 0.00 0.00 60.37 58.33 2hgh h HIS 155 Cb 0.52 -0.36 -0.01 0.00 1.55 0.00 0.00 27.41 29.11 2hgh h HIS 155 CO 0.04 0.82 0.18 0.93 -1.30 0.00 0.00 177.93 178.60 2hgh h GLU 156 N 1.14 0.19 -0.02 5.26 5.08 -0.49 -0.02 114.58 125.72 2hgh h GLU 156 Ca 0.28 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.63 2hgh h GLU 156 Cb 0.10 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.31 2hgh h GLU 156 CO -0.04 0.12 0.02 -0.22 -1.00 0.00 0.00 179.01 177.89 2hgh h LYS 157 N 0.19 0.00 -0.67 2.33 1.63 -1.35 -1.21 116.57 117.50 2hgh h LYS 157 Ca 0.11 0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 59.90 2hgh h LYS 157 Cb 0.21 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 31.81 2hgh h LYS 157 CO -0.02 0.00 0.36 0.28 -3.45 0.00 0.00 179.45 176.62 2hgh h VAL 158 N 0.00 1.21 0.00 2.00 2.07 -1.09 0.16 116.25 120.61 2hgh h VAL 158 Ca 0.01 -0.55 -0.18 0.00 0.82 0.00 0.00 66.70 66.80 2hgh h VAL 158 Cb 0.04 0.36 -0.02 0.00 -1.52 0.00 0.00 31.29 30.14 2hgh h VAL 158 CO -0.00 0.24 -0.85 0.45 0.02 0.00 0.00 177.57 177.42 2hgh h HIS 159 N 0.91 0.02 0.00 1.57 3.86 -1.37 -3.03 115.15 117.12 2hgh h HIS 159 Ca 0.23 -0.01 -0.10 0.00 -1.16 0.00 0.00 60.37 59.33 2hgh h HIS 159 Cb 0.06 -0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.51 2hgh h HIS 159 CO -0.00 0.86 -0.49 0.00 0.86 0.00 0.00 177.93 179.15 2hgh h ALA 160 N 1.14 1.09 0.00 2.45 0.00 -1.02 -3.50 119.26 119.43 2hgh h ALA 160 Ca -0.01 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.45 2hgh h ALA 160 Cb 1.50 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.22 2hgh h ALA 160 CO 0.11 0.62 0.00 0.41 0.00 0.00 0.00 179.25 180.39 2hgh n GLY 161 N 0.04 -0.90 2.88 0.00 0.00 0.54 -4.88 105.19 102.88 2hgh n GLY 161 Ca -0.01 -1.67 -0.30 0.00 0.00 0.00 0.00 46.02 44.03 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 -1.51 2.85 0.29 1.61 1.51 0.16 -4.85 117.35 117.41 2hgh s TYR 162 Ca 0.00 -2.71 -0.28 0.00 -1.01 0.00 0.00 57.07 53.07 2hgh s TYR 162 Cb 0.00 -2.46 -0.09 0.00 -0.11 0.00 0.00 41.96 39.29 2hgh s TYR 162 CO 0.00 -0.84 0.95 -1.25 -1.11 0.00 0.00 175.55 173.30 2hgh s PRO 163 N 0.55 4.70 0.34 -1.71 0.04 -1.26 -0.86 135.00 136.79 2hgh s PRO 163 Ca 0.14 1.41 -0.27 0.00 0.04 0.00 0.00 61.00 62.32 2hgh s PRO 163 Cb -0.22 -3.01 -0.09 0.00 0.04 0.00 0.00 34.50 31.22 2hgh s PRO 163 CO -0.07 0.38 1.10 0.00 0.04 0.00 0.00 177.00 178.45 2hgh n LYS 165 N 0.61 0.00 0.26 0.00 2.85 -1.26 -4.77 118.16 115.85 2hgh n LYS 165 Ca 0.02 -0.57 0.14 0.00 -1.05 0.00 0.00 58.31 56.85 2hgh n LYS 165 Cb 0.46 -0.43 0.70 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 -2.87 -1.58 1.79 -1.93 -3.44 116.57 108.55 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 1.11 0.00 -0.22 0.00 -1.58 0.00 0.00 32.23 31.54 2hgh h LYS 166 CO 0.00 0.10 -0.25 0.34 -1.08 0.00 0.00 179.45 178.56 2hgh s ASP 167 N -5.92 -0.32 0.48 0.86 2.15 -1.26 -5.05 116.67 107.60 2hgh s ASP 167 Ca -0.01 0.47 0.22 0.00 0.43 0.00 0.00 52.55 53.66 2hgh s ASP 167 Cb 0.11 0.56 1.20 0.00 -0.30 0.00 0.00 42.92 44.49 2hgh s ASP 167 CO 0.57 -0.29 1.99 0.44 -0.17 0.00 0.00 175.17 177.71 2hgh h ASP 168 N 4.69 0.00 -0.52 -0.34 3.32 -1.97 -2.49 116.42 119.11 2hgh h ASP 168 Ca -0.28 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.76 2hgh h ASP 168 Cb 1.18 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.72 2hgh h ASP 168 CO 0.33 0.19 0.02 -1.20 -1.72 0.00 0.00 179.24 176.85 2hgh n SER 169 N -3.80 5.18 -4.39 6.45 7.64 -1.26 -4.87 113.62 118.56 2hgh n SER 169 Ca -0.02 -2.85 -0.33 0.00 1.01 0.00 0.00 58.87 56.69 2hgh n SER 169 Cb 0.29 -0.67 -0.14 0.00 -1.01 0.00 0.00 64.21 62.67 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 2.98 0.66 -4.77 0.00 7.64 -1.26 -4.79 113.62 114.08 2hgh n SER 171 Ca -0.18 -1.97 -0.40 0.00 1.01 0.00 0.00 58.87 57.34 2hgh n SER 171 Cb 0.52 -0.17 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 -0.66 2.63 -0.11 1.43 2.19 -1.26 -4.82 117.98 117.37 2hgh s PHE 172 Ca 0.06 1.28 0.00 0.00 0.33 0.00 0.00 56.93 58.61 2hgh s PHE 172 Cb 0.05 -3.87 0.02 0.00 -1.31 0.00 0.00 43.02 37.91 2hgh s PHE 172 CO 0.01 -2.66 -0.10 0.08 1.83 0.00 0.00 175.22 174.37 2hgh s VAL 173 N -1.19 1.16 -0.01 3.12 1.01 -1.26 -0.55 120.40 122.68 2hgh s VAL 173 Ca 0.57 -0.40 -0.26 0.00 0.00 0.00 0.00 61.98 61.88 2hgh s VAL 173 Cb -0.43 -1.13 -0.04 0.00 0.00 0.00 0.00 36.38 34.78 2hgh s VAL 173 CO 0.56 0.38 0.81 -0.83 0.00 0.00 0.00 175.10 176.03 2hgh s GLY 174 N 1.42 2.77 0.50 4.51 0.00 -0.04 -4.79 107.32 111.68 2hgh s GLY 174 Ca 0.00 0.31 0.34 0.00 0.00 0.00 0.00 44.72 45.37 2hgh s GLY 174 CO -0.06 1.32 2.02 1.70 0.00 0.00 0.00 173.10 178.08 2hgh h LYS 175 N 6.42 0.00 -3.68 2.90 3.64 -1.89 0.48 116.57 124.43 2hgh h LYS 175 Ca -0.42 0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 58.89 2hgh h LYS 175 Cb 1.21 0.00 -0.13 0.00 -0.41 0.00 0.00 32.23 32.90 2hgh h LYS 175 CO 0.74 0.00 -0.26 0.95 -2.27 0.00 0.00 179.45 178.61 2hgh s THR 176 N -3.77 0.10 0.26 1.00 -4.23 -1.26 -4.66 115.64 103.08 2hgh s THR 176 Ca -0.01 -1.04 -0.03 0.00 -1.18 0.00 0.00 61.69 59.42 2hgh s THR 176 Cb 0.10 -1.42 0.27 0.00 1.34 0.00 0.00 72.50 72.79 2hgh s THR 176 CO 0.39 -0.45 1.90 -0.25 -0.54 0.00 0.00 174.62 175.67 2hgh h TRP 177 N 2.57 1.21 -0.38 3.99 -0.00 -1.94 -2.07 115.95 119.34 2hgh h TRP 177 Ca -0.33 0.03 0.04 0.00 -0.00 0.00 0.00 58.89 58.63 2hgh h TRP 177 Cb 1.22 -0.40 -0.04 0.00 -0.00 0.00 0.00 29.16 29.94 2hgh h TRP 177 CO 0.39 0.68 0.14 1.79 -0.00 0.00 0.00 178.44 181.44 2hgh h THR 178 N 1.23 0.90 -0.41 2.65 1.35 -1.97 -1.56 112.91 115.11 2hgh h THR 178 Ca 0.41 -0.10 -0.02 0.00 -0.55 0.00 0.00 66.41 66.14 2hgh h THR 178 Cb 0.06 0.58 -0.02 0.00 -1.73 0.00 0.00 68.15 67.04 2hgh h THR 178 CO -0.14 0.06 0.16 -0.07 -0.25 0.00 0.00 175.52 175.27 2hgh h LEU 179 N 0.30 0.52 -0.07 3.87 3.38 -1.77 0.15 115.31 121.69 2hgh h LEU 179 Ca 0.17 -0.05 -0.03 0.00 0.09 0.00 0.00 57.88 58.05 2hgh h LEU 179 Cb 0.14 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 2hgh h LEU 179 CO -0.16 0.48 -0.08 0.22 0.09 0.00 0.00 178.44 178.98 2hgh h TYR 180 N 0.57 0.22 -0.85 1.13 3.20 -1.26 -0.53 116.97 119.45 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 0.12 -0.05 -0.04 0.00 1.54 0.00 0.00 36.73 38.31 2hgh h TYR 180 CO 0.01 0.64 0.55 -0.07 -1.64 0.00 0.00 178.16 177.65 2hgh h LEU 181 N -0.25 0.99 -0.58 2.82 3.38 -0.74 0.58 115.31 121.51 2hgh h LEU 181 Ca 0.01 -0.03 -0.15 0.00 0.09 0.00 0.00 57.88 57.80 2hgh h LEU 181 Cb 0.60 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 2hgh h LEU 181 CO 0.02 0.73 -0.43 0.11 0.09 0.00 0.00 178.44 178.95 2hgh h LYS 182 N 1.16 0.65 -0.76 1.13 1.57 -0.74 -2.41 116.57 117.16 2hgh h LYS 182 Ca 0.31 -0.35 -0.02 0.00 -1.87 0.00 0.00 60.65 58.72 2hgh h LYS 182 Cb -0.12 0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.17 2hgh h LYS 182 CO -0.07 0.95 0.40 1.25 -0.57 0.00 0.00 179.45 181.41 2hgh h HIS 183 N 0.52 1.07 -0.45 -1.35 2.76 -0.45 -2.56 115.15 114.69 2hgh h HIS 183 Ca 0.04 -0.04 -0.01 0.00 -2.20 0.00 0.00 60.37 58.16 2hgh h HIS 183 Cb 0.96 -0.34 -0.02 0.00 1.55 0.00 0.00 27.41 29.57 2hgh h HIS 183 CO 0.04 0.76 0.24 0.28 -1.30 0.00 0.00 177.93 177.96 2hgh h VAL 184 N 1.06 1.17 -0.13 5.26 2.07 -0.73 0.13 116.25 125.08 2hgh h VAL 184 Ca 0.26 -0.43 -0.05 0.00 0.82 0.00 0.00 66.70 67.30 2hgh h VAL 184 Cb 0.07 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 30.46 2hgh h VAL 184 CO -0.04 0.18 -0.14 0.00 0.02 0.00 0.00 177.57 177.59 2hgh h ALA 185 N 1.09 1.54 0.09 1.67 0.00 -1.22 0.61 119.26 123.04 2hgh h ALA 185 Ca 0.16 -0.20 -0.34 0.00 0.00 0.00 0.00 54.91 54.53 2hgh h ALA 185 Cb 0.06 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 2hgh h ALA 185 CO -0.02 0.33 -1.84 1.49 0.00 0.00 0.00 179.25 179.21 2hgh h GLU 186 N 0.19 0.20 0.00 0.00 4.57 -1.15 -3.33 114.58 115.05 2hgh h GLU 186 Ca 0.04 -0.34 -0.09 0.00 -1.18 0.00 0.00 59.36 57.79 2hgh h GLU 186 Cb 0.37 0.13 -0.02 0.00 -0.16 0.00 0.00 28.75 29.06 2hgh h GLU 186 CO 0.02 1.00 -2.03 0.00 -1.18 0.00 0.00 179.01 176.82 2hgh n HIS 188 N -2.34 1.26 0.26 0.00 8.25 0.20 -4.80 115.22 118.05 2hgh n HIS 188 Ca -0.11 -1.75 0.13 0.00 -0.26 0.00 0.00 57.72 55.72 2hgh n HIS 188 Cb 0.69 -0.25 0.71 0.00 1.12 0.00 0.00 29.99 32.26 2hgh n HIS 188 CO 0.00 0.00 0.00 -0.56 0.64 0.00 0.00 176.34 176.42 2hgh h GLN 189 N 1.94 0.00 0.00 -0.41 -0.00 -1.66 -3.46 115.11 111.52 2hgh h GLN 189 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.66 2hgh h GLN 189 Cb 1.43 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.91 2hgh h GLN 189 CO 0.30 0.12 0.00 -3.47 -0.00 0.00 0.00 178.83 175.79