#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 -0.01 -4.94 117.35 117.98 2hgh s TYR 105 Ca 0.00 -0.56 0.02 0.00 -1.01 0.00 0.00 57.07 55.52 2hgh s TYR 105 Cb 0.00 -2.10 -0.03 0.00 -0.11 0.00 0.00 41.96 39.73 2hgh s TYR 105 CO 0.00 -0.31 -0.10 0.08 -1.11 0.00 0.00 175.55 174.10 2hgh s VAL 106 N 1.14 3.41 -0.02 0.71 1.01 -1.26 -0.25 120.40 125.13 2hgh s VAL 106 Ca 0.03 -0.59 -0.30 0.00 0.00 0.00 0.00 61.98 61.12 2hgh s VAL 106 Cb -0.14 -2.38 -0.03 0.00 0.00 0.00 0.00 36.38 33.83 2hgh s VAL 106 CO 0.01 0.59 1.08 0.00 0.00 0.00 0.00 175.10 176.77 2hgh n HIS 108 N 4.41 1.24 -1.42 0.00 8.25 -1.26 -2.50 115.22 123.94 2hgh n HIS 108 Ca 0.08 -1.21 -0.34 0.00 -0.26 0.00 0.00 57.72 55.99 2hgh n HIS 108 Cb 0.49 -0.44 0.10 0.00 1.12 0.00 0.00 29.99 31.25 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 -3.02 2.02 -0.18 4.41 2.19 -1.26 -4.83 117.98 117.31 2hgh s PHE 109 Ca 0.45 1.60 -0.32 0.00 0.33 0.00 0.00 56.93 58.98 2hgh s PHE 109 Cb 0.38 -3.50 -0.09 0.00 -1.31 0.00 0.00 43.02 38.50 2hgh s PHE 109 CO 0.06 -2.68 2.07 -1.91 1.83 0.00 0.00 175.22 174.59 2hgh n GLU 110 N -2.71 1.91 -1.16 10.12 2.13 -1.26 -1.39 120.64 128.27 2hgh n GLU 110 Ca 0.14 0.62 -0.05 0.00 0.66 0.00 0.00 57.16 58.52 2hgh n GLU 110 Cb 0.50 -2.80 -0.02 0.00 0.27 0.00 0.00 31.44 29.38 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 8.97 -4.41 0.00 4.31 5.15 -1.26 -4.94 115.26 123.08 2hgh n ASN 111 Ca 0.29 0.14 0.00 0.00 -0.60 0.00 0.00 54.58 54.41 2hgh n ASN 111 Cb 0.33 -2.40 0.00 0.00 -0.53 0.00 0.00 39.78 37.19 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 2.43 0.72 3.77 0.00 0.00 -1.04 -5.01 105.19 106.06 2hgh n GLY 113 Ca 0.00 -0.41 -0.39 0.00 0.00 0.00 0.00 46.02 45.22 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 -1.90 4.20 -0.04 1.61 2.20 -1.25 -4.78 119.74 119.77 2hgh s LYS 114 Ca 0.00 1.91 0.06 0.00 -0.36 0.00 0.00 55.97 57.58 2hgh s LYS 114 Cb 0.00 -2.83 -0.01 0.00 -1.51 0.00 0.00 37.83 33.48 2hgh s LYS 114 CO 0.00 -0.22 -0.22 0.00 -0.36 0.00 0.00 175.35 174.55 2hgh s ALA 115 N -1.32 1.91 0.16 3.13 0.00 -1.26 -0.25 121.76 124.13 2hgh s ALA 115 Ca 0.54 -0.93 0.08 0.00 0.00 0.00 0.00 51.96 51.64 2hgh s ALA 115 Cb -0.33 -0.56 -0.04 0.00 0.00 0.00 0.00 23.12 22.19 2hgh s ALA 115 CO 0.42 0.40 -0.17 -0.06 0.00 0.00 0.00 175.76 176.35 2hgh s PHE 116 N -0.24 1.71 0.16 0.00 0.40 0.65 -4.98 117.98 115.69 2hgh s PHE 116 Ca 0.00 -0.51 -0.14 0.00 -0.60 0.00 0.00 56.93 55.69 2hgh s PHE 116 Cb -0.11 -0.85 0.05 0.00 0.51 0.00 0.00 43.02 42.62 2hgh s PHE 116 CO 0.02 0.30 1.78 -0.22 0.70 0.00 0.00 175.22 177.80 2hgh h LYS 117 N 3.15 0.71 -4.23 0.44 3.64 -1.97 0.01 116.57 118.33 2hgh h LYS 117 Ca -0.41 -0.08 -0.16 0.00 -1.27 0.00 0.00 60.65 58.73 2hgh h LYS 117 Cb 1.21 -0.14 -0.18 0.00 -0.41 0.00 0.00 32.23 32.71 2hgh h LYS 117 CO 0.53 0.55 -0.69 0.15 -2.27 0.00 0.00 179.45 177.72 2hgh s LYS 118 N -5.88 0.53 0.47 1.90 1.02 -1.26 -4.32 119.74 112.20 2hgh s LYS 118 Ca -0.13 -0.99 0.18 0.00 0.02 0.00 0.00 55.97 55.05 2hgh s LYS 118 Cb 0.12 0.08 1.14 0.00 -0.52 0.00 0.00 37.83 38.65 2hgh s LYS 118 CO 0.76 -0.07 2.02 1.12 -0.92 0.00 0.00 175.35 178.26 2hgh h HIS 119 N 3.75 0.00 -0.52 3.18 2.07 -1.92 -2.32 115.15 119.39 2hgh h HIS 119 Ca -0.34 0.00 -0.05 0.00 -2.85 0.00 0.00 60.37 57.13 2hgh h HIS 119 Cb 1.17 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 31.13 2hgh h HIS 119 CO 0.59 0.16 0.12 -0.91 -3.07 0.00 0.00 177.93 174.82 2hgh h ASN 120 N 0.00 0.75 0.17 3.10 4.21 -1.99 0.12 115.58 121.94 2hgh h ASN 120 Ca -0.00 -0.13 -0.18 0.00 1.21 0.00 0.00 56.30 57.19 2hgh h ASN 120 Cb 0.31 -0.20 -0.00 0.00 -1.12 0.00 0.00 38.32 37.31 2hgh h ASN 120 CO 0.02 0.74 -0.70 1.56 -1.29 0.00 0.00 177.43 177.77 2hgh h GLN 121 N 0.78 0.47 -0.24 0.81 4.20 -1.85 -1.31 115.11 117.96 2hgh h GLN 121 Ca 0.17 -0.37 -0.01 0.00 0.06 0.00 0.00 58.65 58.51 2hgh h GLN 121 Cb 0.30 0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.14 2hgh h GLN 121 CO -0.00 1.00 0.12 1.25 -0.67 0.00 0.00 178.83 180.53 2hgh h LEU 122 N 0.33 0.32 -1.07 1.46 5.85 -1.17 -0.28 115.31 120.74 2hgh h LEU 122 Ca -0.03 -0.11 -0.01 0.00 0.84 0.00 0.00 57.88 58.57 2hgh h LEU 122 Cb 1.27 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 42.18 2hgh h LEU 122 CO 0.12 0.34 0.48 0.11 -0.34 0.00 0.00 178.44 179.15 2hgh h LYS 123 N 0.27 1.11 -0.87 1.25 1.57 -0.74 -0.95 116.57 118.22 2hgh h LYS 123 Ca 0.08 -0.11 0.01 0.00 -1.87 0.00 0.00 60.65 58.76 2hgh h LYS 123 Cb 0.10 -0.23 -0.04 0.00 0.08 0.00 0.00 32.23 32.14 2hgh h LYS 123 CO -0.01 0.79 0.56 0.28 -0.57 0.00 0.00 179.45 180.50 2hgh h VAL 124 N 1.13 1.23 -0.22 0.50 2.07 -0.88 -2.24 116.25 117.84 2hgh h VAL 124 Ca 0.29 -0.43 -0.08 0.00 0.82 0.00 0.00 66.70 67.30 2hgh h VAL 124 Cb -0.02 -0.03 -0.00 0.00 -1.52 0.00 0.00 31.29 29.71 2hgh h VAL 124 CO -0.05 0.22 -0.16 -0.74 0.02 0.00 0.00 177.57 176.86 2hgh h HIS 125 N 1.18 0.58 -0.11 1.57 -0.00 -0.20 -3.20 115.15 114.96 2hgh h HIS 125 Ca 0.32 -0.16 -0.07 0.00 -0.00 0.00 0.00 60.37 60.46 2hgh h HIS 125 Cb -0.12 -0.13 -0.01 0.00 -0.00 0.00 0.00 27.41 27.16 2hgh h HIS 125 CO -0.01 0.81 -0.23 1.96 -0.00 0.00 0.00 177.93 180.45 2hgh h GLN 126 N 0.18 0.20 -0.44 5.26 4.20 -1.08 -1.84 115.11 121.59 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 0.68 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.43 2hgh h GLN 126 CO 0.04 0.42 0.35 0.27 -0.67 0.00 0.00 178.83 179.24 2hgh h PHE 127 N 0.18 0.00 -0.37 2.96 -5.15 -1.39 -0.54 116.94 112.63 2hgh h PHE 127 Ca 0.03 0.00 -0.15 0.00 -0.20 0.00 0.00 57.97 57.66 2hgh h PHE 127 Cb 0.52 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 36.68 2hgh h PHE 127 CO 0.01 0.00 -0.34 0.66 -2.00 0.00 0.00 178.31 176.64 2hgh h SER 128 N 0.00 0.93 -0.14 -0.68 4.64 -1.43 0.28 113.55 117.15 2hgh h SER 128 Ca 0.21 -0.46 -0.12 0.00 -0.47 0.00 0.00 61.79 60.94 2hgh h SER 128 Cb 0.90 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 62.71 2hgh h SER 128 CO -0.00 1.20 -0.33 0.45 -0.87 0.00 0.00 176.83 177.28 2hgh h HIS 129 N 0.68 0.74 0.00 4.77 3.86 -1.23 -2.92 115.15 121.05 2hgh h HIS 129 Ca 0.06 -0.19 0.00 0.00 -1.16 0.00 0.00 60.37 59.08 2hgh h HIS 129 Cb 0.93 -0.17 0.00 0.00 1.06 0.00 0.00 27.41 29.23 2hgh h HIS 129 CO 0.07 0.89 -0.21 1.79 0.86 0.00 0.00 177.93 181.32 2hgh h THR 130 N 0.54 0.00 -3.55 2.45 1.35 -1.20 -3.48 112.91 109.03 2hgh h THR 130 Ca 0.06 -0.88 -0.34 0.00 -0.55 0.00 0.00 66.41 64.70 2hgh h THR 130 Cb 0.83 1.77 -0.01 0.00 -1.73 0.00 0.00 68.15 69.00 2hgh h THR 130 CO 0.07 0.00 -0.45 1.67 -0.25 0.00 0.00 175.52 176.56 2hgh n GLN 131 N -2.82 -2.19 -4.27 4.72 -0.06 0.95 -5.00 117.38 108.70 2hgh n GLN 131 Ca 0.04 0.81 -0.17 0.00 -2.00 0.00 0.00 57.00 55.67 2hgh n GLN 131 Cb 0.51 -5.46 -0.11 0.00 -4.06 0.00 0.00 30.24 21.12 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 -5.12 1.12 -0.15 3.69 1.03 -1.09 -5.04 119.66 114.10 2hgh s GLN 132 Ca 0.03 -1.38 -0.13 0.00 0.04 0.00 0.00 55.36 53.93 2hgh s GLN 132 Cb -0.02 -0.92 -0.05 0.00 0.03 0.00 0.00 33.01 32.06 2hgh s GLN 132 CO 0.04 0.16 0.28 -0.51 -2.54 0.00 0.00 175.29 172.72 2hgh s LEU 133 N -2.82 4.26 0.07 2.60 1.43 -1.26 -4.62 118.68 118.34 2hgh s LEU 133 Ca 0.14 0.51 -0.10 0.00 -1.03 0.00 0.00 54.13 53.66 2hgh s LEU 133 Cb -0.02 -2.35 -0.27 0.00 0.03 0.00 0.00 46.19 43.58 2hgh s LEU 133 CO 0.04 0.13 1.13 1.55 0.23 0.00 0.00 176.35 179.43 2hgh h PRO 134 N 6.47 0.45 -4.35 1.29 0.13 -1.88 -3.43 132.00 130.69 2hgh h PRO 134 Ca -0.42 -0.66 -0.74 0.00 -0.87 0.00 0.00 66.00 63.30 2hgh h PRO 134 Cb 1.17 0.23 -0.22 0.00 0.13 0.00 0.00 31.00 32.31 2hgh h PRO 134 CO 0.74 1.29 0.14 0.71 -0.23 0.00 0.00 178.00 180.65 2hgh s TYR 135 N -2.85 3.31 -0.04 1.56 2.02 -1.09 -4.97 117.35 115.29 2hgh s TYR 135 Ca -0.07 -1.41 -0.07 0.00 -0.37 0.00 0.00 57.07 55.15 2hgh s TYR 135 Cb 0.06 -3.95 -0.04 0.00 -0.40 0.00 0.00 41.96 37.63 2hgh s TYR 135 CO 0.91 -1.17 0.23 -1.83 -1.57 0.00 0.00 175.55 172.12 2hgh s GLU 136 N 1.68 3.55 -0.14 -0.62 -1.05 -1.26 -0.01 118.70 120.85 2hgh s GLU 136 Ca 0.15 -0.08 -0.29 0.00 -0.15 0.00 0.00 54.97 54.59 2hgh s GLU 136 Cb -0.18 -3.13 -0.02 0.00 -0.44 0.00 0.00 34.13 30.36 2hgh s GLU 136 CO -0.01 0.70 1.19 0.00 0.95 0.00 0.00 175.26 178.08 2hgh n PRO 138 N 5.99 1.88 -1.95 0.00 -0.04 -1.26 -4.49 135.00 135.13 2hgh n PRO 138 Ca 0.12 -1.33 -0.39 0.00 -0.04 0.00 0.00 63.50 61.87 2hgh n PRO 138 Cb 0.46 -1.40 0.01 0.00 -0.04 0.00 0.00 33.50 32.52 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 -1.71 2.63 -0.38 0.54 2.46 -1.26 -4.90 115.29 112.66 2hgh s HIS 139 Ca 0.32 1.37 -0.28 0.00 0.47 0.00 0.00 55.06 56.95 2hgh s HIS 139 Cb 0.18 -3.74 -0.02 0.00 -0.13 0.00 0.00 32.58 28.87 2hgh s HIS 139 CO 0.26 -2.42 1.87 -2.00 -2.47 0.00 0.00 174.74 169.98 2hgh s GLU 140 N -2.45 3.12 0.00 2.88 2.12 -1.26 -1.87 118.70 121.23 2hgh s GLU 140 Ca 0.61 1.31 0.00 0.00 0.36 0.00 0.00 54.97 57.25 2hgh s GLU 140 Cb -0.39 -4.27 0.00 0.00 0.26 0.00 0.00 34.13 29.73 2hgh s GLU 140 CO 0.50 -2.12 0.00 0.41 -0.54 0.00 0.00 175.26 173.51 2hgh n GLY 141 N 5.53 0.68 3.64 -1.50 0.00 -1.26 -5.11 105.19 107.18 2hgh n GLY 141 Ca 0.24 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.52 0.00 -4.76 0.00 5.75 -1.26 -4.71 116.55 111.05 2hgh n ASP 143 Ca -0.08 -1.15 -0.36 0.00 -0.01 0.00 0.00 54.79 53.18 2hgh n ASP 143 Cb 0.57 -0.03 0.02 0.00 -1.03 0.00 0.00 41.12 40.65 2hgh n ASP 143 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 2hgh s LYS 144 N 0.00 3.20 0.07 0.11 1.02 -1.26 -4.84 119.74 118.04 2hgh s LYS 144 Ca 0.00 1.81 0.04 0.00 0.02 0.00 0.00 55.97 57.83 2hgh s LYS 144 Cb 0.00 -2.05 -0.03 0.00 -0.52 0.00 0.00 37.83 35.23 2hgh s LYS 144 CO 0.00 -1.02 -0.11 1.03 -0.92 0.00 0.00 175.35 174.34 2hgh s ARG 145 N -3.18 0.74 0.18 1.68 0.52 -1.26 -0.80 118.95 116.82 2hgh s ARG 145 Ca 0.74 -0.98 0.02 0.00 -0.52 0.00 0.00 55.73 54.99 2hgh s ARG 145 Cb -0.30 -0.54 -0.05 0.00 0.52 0.00 0.00 34.95 34.59 2hgh s ARG 145 CO 0.33 0.10 -0.01 -0.06 0.02 0.00 0.00 175.30 175.68 2hgh s PHE 146 N -1.79 1.25 -0.14 -0.53 0.08 0.99 -4.98 117.98 112.86 2hgh s PHE 146 Ca -0.01 -0.98 0.16 0.00 0.12 0.00 0.00 56.93 56.22 2hgh s PHE 146 Cb -0.07 -0.71 -0.04 0.00 -0.57 0.00 0.00 43.02 41.64 2hgh s PHE 146 CO 0.01 -0.16 1.14 0.77 -0.10 0.00 0.00 175.22 176.88 2hgh h SER 147 N 2.68 0.00 -4.78 1.36 0.02 -1.96 -2.89 113.55 107.99 2hgh h SER 147 Ca -0.37 0.00 -0.23 0.00 -0.84 0.00 0.00 61.79 60.35 2hgh h SER 147 Cb 1.20 0.00 -0.18 0.00 0.14 0.00 0.00 62.40 63.56 2hgh h SER 147 CO 0.63 0.53 -0.71 -0.76 -1.14 0.00 0.00 176.83 175.38 2hgh s LEU 148 N -6.12 2.37 0.29 5.07 1.43 -1.26 -4.79 118.68 115.68 2hgh s LEU 148 Ca 0.01 -0.76 0.02 0.00 -1.03 0.00 0.00 54.13 52.37 2hgh s LEU 148 Cb 0.08 -0.07 0.45 0.00 0.03 0.00 0.00 46.19 46.68 2hgh s LEU 148 CO 0.78 -0.35 1.77 1.55 0.23 0.00 0.00 176.35 180.32 2hgh h PRO 149 N 3.80 0.54 -0.30 1.29 0.13 -1.95 -1.82 132.00 133.69 2hgh h PRO 149 Ca -0.35 -0.17 -0.06 0.00 -0.87 0.00 0.00 66.00 64.55 2hgh h PRO 149 Cb 1.18 -0.05 -0.02 0.00 0.13 0.00 0.00 31.00 32.25 2hgh h PRO 149 CO 0.52 0.68 -0.06 0.66 -0.23 0.00 0.00 178.00 179.56 2hgh h SER 150 N 0.50 0.47 -0.14 1.44 4.64 -1.98 0.16 113.55 118.63 2hgh h SER 150 Ca 0.09 -0.10 -0.20 0.00 -0.47 0.00 0.00 61.79 61.10 2hgh h SER 150 Cb 0.54 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 62.52 2hgh h SER 150 CO 0.03 0.58 -0.69 -0.09 -0.87 0.00 0.00 176.83 175.80 2hgh h ARG 151 N 0.46 0.77 -0.29 4.77 1.12 -1.82 -0.67 114.38 118.73 2hgh h ARG 151 Ca 0.09 -0.57 -0.05 0.00 -1.11 0.00 0.00 59.98 58.35 2hgh h ARG 151 Cb 0.40 0.10 -0.01 0.00 -0.01 0.00 0.00 29.97 30.46 2hgh h ARG 151 CO 0.02 1.19 0.00 1.25 -3.11 0.00 0.00 179.97 179.32 2hgh h LEU 152 N 0.55 0.49 -1.09 3.80 5.85 -1.18 -0.61 115.31 123.13 2hgh h LEU 152 Ca -0.03 -0.31 0.06 0.00 0.84 0.00 0.00 57.88 58.44 2hgh h LEU 152 Cb 1.30 -0.13 -0.06 0.00 0.37 0.00 0.00 40.66 42.14 2hgh h LEU 152 CO 0.14 0.68 0.62 0.50 -0.34 0.00 0.00 178.44 180.04 2hgh h LYS 153 N 0.29 1.09 -0.34 1.25 3.64 -0.62 0.19 116.57 122.07 2hgh h LYS 153 Ca 0.08 -0.07 -0.13 0.00 -1.27 0.00 0.00 60.65 59.26 2hgh h LYS 153 Cb 0.43 -0.25 -0.01 0.00 -0.41 0.00 0.00 32.23 31.99 2hgh h LYS 153 CO 0.01 0.72 -0.33 0.00 -2.27 0.00 0.00 179.45 177.58 2hgh h ARG 154 N 1.12 0.76 -0.70 1.90 3.08 -1.00 -2.98 114.38 116.56 2hgh h ARG 154 Ca 0.40 -0.36 -0.05 0.00 0.07 0.00 0.00 59.98 60.04 2hgh h ARG 154 Cb 0.13 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.14 2hgh h ARG 154 CO -0.14 0.98 0.25 1.25 -1.07 0.00 0.00 179.97 181.23 2hgh h HIS 155 N 0.64 1.08 -0.24 3.04 2.76 0.30 -2.14 115.15 120.58 2hgh h HIS 155 Ca 0.07 -0.09 0.04 0.00 -2.20 0.00 0.00 60.37 58.19 2hgh h HIS 155 Cb 0.87 -0.32 -0.01 0.00 1.55 0.00 0.00 27.41 29.50 2hgh h HIS 155 CO 0.04 0.84 0.16 0.93 -1.30 0.00 0.00 177.93 178.61 2hgh h GLU 156 N 1.02 0.16 -0.02 5.26 5.08 -0.55 0.53 114.58 126.06 2hgh h GLU 156 Ca 0.23 -0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.59 2hgh h GLU 156 Cb 0.24 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.46 2hgh h GLU 156 CO -0.01 0.11 0.02 -0.22 -1.00 0.00 0.00 179.01 177.90 2hgh h LYS 157 N 0.16 0.00 -0.69 2.33 3.64 -1.28 -1.13 116.57 119.61 2hgh h LYS 157 Ca 0.10 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.47 2hgh h LYS 157 Cb 0.21 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 31.99 2hgh h LYS 157 CO -0.02 0.00 0.37 0.28 -2.27 0.00 0.00 179.45 177.81 2hgh h VAL 158 N 0.00 1.22 0.00 2.00 2.07 -0.96 0.41 116.25 121.00 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 0.06 0.33 -0.02 0.00 -1.52 0.00 0.00 31.29 30.13 2hgh h VAL 158 CO -0.00 0.24 -0.84 0.45 0.02 0.00 0.00 177.57 177.44 2hgh h HIS 159 N 0.94 0.10 0.00 1.57 3.86 -1.35 -3.14 115.15 117.14 2hgh h HIS 159 Ca 0.24 -0.06 -0.10 0.00 -1.16 0.00 0.00 60.37 59.29 2hgh h HIS 159 Cb 0.05 -0.01 -0.01 0.00 1.06 0.00 0.00 27.41 28.50 2hgh h HIS 159 CO -0.00 0.88 -0.50 0.00 0.86 0.00 0.00 177.93 179.17 2hgh h ALA 160 N 1.11 1.09 0.00 2.45 0.00 -0.94 -3.50 119.26 119.46 2hgh h ALA 160 Ca -0.02 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.44 2hgh h ALA 160 Cb 1.48 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.19 2hgh h ALA 160 CO 0.12 0.62 0.00 0.41 0.00 0.00 0.00 179.25 180.40 2hgh n GLY 161 N 0.04 0.29 2.88 0.00 0.00 0.10 -4.94 105.19 103.57 2hgh n GLY 161 Ca -0.01 -1.82 -0.30 0.00 0.00 0.00 0.00 46.02 43.89 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 -2.15 2.86 0.31 1.61 1.51 0.05 -4.85 117.35 116.69 2hgh s TYR 162 Ca 0.00 -2.72 -0.24 0.00 -1.01 0.00 0.00 57.07 53.10 2hgh s TYR 162 Cb 0.00 -2.47 -0.10 0.00 -0.11 0.00 0.00 41.96 39.29 2hgh s TYR 162 CO 0.00 -0.84 0.90 -1.25 -1.11 0.00 0.00 175.55 173.26 2hgh s PRO 163 N 0.54 4.49 0.30 -1.71 0.04 -1.26 -1.08 135.00 136.33 2hgh s PRO 163 Ca 0.14 1.22 -0.29 0.00 0.04 0.00 0.00 61.00 62.11 2hgh s PRO 163 Cb -0.22 -2.76 -0.10 0.00 0.04 0.00 0.00 34.50 31.46 2hgh s PRO 163 CO -0.07 0.27 1.17 0.00 0.04 0.00 0.00 177.00 178.42 2hgh n LYS 165 N 1.02 0.31 0.27 0.00 4.76 -1.26 -4.81 118.16 118.44 2hgh n LYS 165 Ca -0.01 -0.73 0.15 0.00 -2.87 0.00 0.00 58.31 54.86 2hgh n LYS 165 Cb 0.44 -0.57 0.70 0.00 -1.84 0.00 0.00 35.03 33.76 2hgh n LYS 165 CO 0.00 0.00 0.00 0.87 -1.37 0.00 0.00 177.40 176.90 2hgh h LYS 166 N 0.00 0.00 -2.89 1.97 6.56 -1.99 -3.44 116.57 116.78 2hgh h LYS 166 Ca 0.00 0.00 -0.13 0.00 -1.06 0.00 0.00 60.65 59.46 2hgh h LYS 166 Cb 1.03 0.00 -0.23 0.00 -0.57 0.00 0.00 32.23 32.46 2hgh h LYS 166 CO 0.00 0.08 -0.27 0.34 -2.06 0.00 0.00 179.45 177.54 2hgh s ASP 167 N -5.84 -0.32 0.46 0.86 2.15 -1.26 -5.05 116.67 107.67 2hgh s ASP 167 Ca -0.01 0.51 0.20 0.00 0.43 0.00 0.00 52.55 53.68 2hgh s ASP 167 Cb 0.11 0.59 1.11 0.00 -0.30 0.00 0.00 42.92 44.43 2hgh s ASP 167 CO 0.56 -0.25 1.98 -0.78 -0.17 0.00 0.00 175.17 176.50 2hgh h ASP 168 N 4.90 0.00 -0.58 -0.34 3.58 -1.96 -2.53 116.42 119.48 2hgh h ASP 168 Ca -0.28 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.17 2hgh h ASP 168 Cb 1.18 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.23 2hgh h ASP 168 CO 0.32 0.20 0.00 -1.20 -2.88 0.00 0.00 179.24 175.69 2hgh n SER 169 N -3.96 4.83 -4.93 2.28 7.64 -1.26 -4.92 113.62 113.31 2hgh n SER 169 Ca -0.02 -2.59 -0.25 0.00 1.01 0.00 0.00 58.87 57.02 2hgh n SER 169 Cb 0.29 -0.61 0.01 0.00 -1.01 0.00 0.00 64.21 62.89 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 -2.21 0.00 -4.75 0.00 3.41 -1.26 -5.00 113.62 103.80 2hgh n SER 171 Ca 0.01 -1.00 -0.41 0.00 -0.26 0.00 0.00 58.87 57.21 2hgh n SER 171 Cb 0.57 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.50 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 2.99 -0.12 7.33 2.19 -1.26 -4.88 117.98 124.23 2hgh s PHE 172 Ca 0.00 1.13 -0.00 0.00 0.33 0.00 0.00 56.93 58.39 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 -2.51 -0.09 0.08 1.83 0.00 0.00 175.22 174.53 2hgh s VAL 173 N -0.35 1.16 0.16 3.12 1.01 -1.26 -0.81 120.40 123.42 2hgh s VAL 173 Ca 0.56 -0.38 -0.22 0.00 0.00 0.00 0.00 61.98 61.95 2hgh s VAL 173 Cb -0.42 -1.14 -0.08 0.00 0.00 0.00 0.00 36.38 34.74 2hgh s VAL 173 CO 0.47 0.39 0.70 -0.83 0.00 0.00 0.00 175.10 175.83 2hgh s GLY 174 N 1.59 2.75 0.55 4.51 0.00 -0.24 -4.81 107.32 111.67 2hgh s GLY 174 Ca 0.04 0.20 0.33 0.00 0.00 0.00 0.00 44.72 45.29 2hgh s GLY 174 CO -0.08 0.63 2.04 1.70 0.00 0.00 0.00 173.10 177.39 2hgh h LYS 175 N 4.09 0.00 -3.86 2.90 3.64 -1.89 0.18 116.57 121.62 2hgh h LYS 175 Ca -0.48 0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 58.81 2hgh h LYS 175 Cb 1.20 0.00 -0.14 0.00 -0.41 0.00 0.00 32.23 32.89 2hgh h LYS 175 CO 0.65 0.05 -0.38 0.95 -2.27 0.00 0.00 179.45 178.45 2hgh s THR 176 N -3.82 0.13 0.26 1.00 -4.23 -1.26 -4.67 115.64 103.06 2hgh s THR 176 Ca -0.00 -1.27 -0.03 0.00 -1.18 0.00 0.00 61.69 59.20 2hgh s THR 176 Cb 0.10 -1.46 0.27 0.00 1.34 0.00 0.00 72.50 72.75 2hgh s THR 176 CO 0.54 -0.60 1.89 -0.25 -0.54 0.00 0.00 174.62 175.66 2hgh h TRP 177 N 2.74 1.21 -0.56 3.99 -0.00 -1.95 -1.94 115.95 119.44 2hgh h TRP 177 Ca -0.34 0.03 0.04 0.00 -0.00 0.00 0.00 58.89 58.63 2hgh h TRP 177 Cb 1.20 -0.40 -0.05 0.00 -0.00 0.00 0.00 29.16 29.92 2hgh h TRP 177 CO 0.43 0.66 0.30 1.79 -0.00 0.00 0.00 178.44 181.61 2hgh h THR 178 N 1.21 0.98 -0.30 2.65 1.35 -1.98 -1.54 112.91 115.28 2hgh h THR 178 Ca 0.42 -0.20 -0.04 0.00 -0.55 0.00 0.00 66.41 66.04 2hgh h THR 178 Cb 0.09 0.35 -0.02 0.00 -1.73 0.00 0.00 68.15 66.85 2hgh h THR 178 CO -0.15 0.11 0.01 -0.07 -0.25 0.00 0.00 175.52 175.16 2hgh h LEU 179 N 0.58 0.41 -0.05 3.87 3.38 -1.75 0.24 115.31 121.99 2hgh h LEU 179 Ca 0.24 -0.07 -0.04 0.00 0.09 0.00 0.00 57.88 58.11 2hgh h LEU 179 Cb 0.12 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.77 2hgh h LEU 179 CO -0.15 0.47 -0.11 0.22 0.09 0.00 0.00 178.44 178.96 2hgh h TYR 180 N 0.43 0.21 -0.99 1.13 3.20 -1.26 -0.46 116.97 119.23 2hgh h TYR 180 Ca 0.10 -0.08 0.00 0.00 3.14 0.00 0.00 58.73 61.89 2hgh h TYR 180 Cb 0.27 -0.04 -0.05 0.00 1.54 0.00 0.00 36.73 38.45 2hgh h TYR 180 CO 0.01 0.71 0.64 -0.07 -1.64 0.00 0.00 178.16 177.80 2hgh h LEU 181 N -0.35 1.16 -0.52 2.82 3.38 -0.96 0.56 115.31 121.38 2hgh h LEU 181 Ca 0.00 -0.04 -0.07 0.00 0.09 0.00 0.00 57.88 57.86 2hgh h LEU 181 Cb 0.70 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 2hgh h LEU 181 CO 0.02 0.85 0.07 0.50 0.09 0.00 0.00 178.44 179.97 2hgh h LYS 182 N 1.35 0.88 -0.86 1.13 1.63 -0.54 -2.18 116.57 117.98 2hgh h LYS 182 Ca 0.36 -0.25 -0.02 0.00 -0.85 0.00 0.00 60.65 59.89 2hgh h LYS 182 Cb -0.12 -0.10 -0.04 0.00 -0.60 0.00 0.00 32.23 31.37 2hgh h LYS 182 CO -0.07 0.87 0.45 1.25 -3.45 0.00 0.00 179.45 178.50 2hgh h HIS 183 N 0.76 1.20 -0.46 1.91 2.76 -0.40 -2.27 115.15 118.65 2hgh h HIS 183 Ca 0.16 -0.04 -0.01 0.00 -2.20 0.00 0.00 60.37 58.28 2hgh h HIS 183 Cb 0.43 -0.38 -0.02 0.00 1.55 0.00 0.00 27.41 28.99 2hgh h HIS 183 CO 0.03 0.84 0.25 0.28 -1.30 0.00 0.00 177.93 178.04 2hgh h VAL 184 N 1.21 1.16 -0.05 5.26 2.07 -0.70 0.87 116.25 126.07 2hgh h VAL 184 Ca 0.30 -0.42 -0.06 0.00 0.82 0.00 0.00 66.70 67.35 2hgh h VAL 184 Cb 0.06 0.61 -0.01 0.00 -1.52 0.00 0.00 31.29 30.43 2hgh h VAL 184 CO -0.04 0.17 -0.23 0.00 0.02 0.00 0.00 177.57 177.49 2hgh h ALA 185 N 1.10 1.53 0.00 1.67 0.00 -1.11 0.79 119.26 123.24 2hgh h ALA 185 Ca 0.16 -0.23 -0.25 0.00 0.00 0.00 0.00 54.91 54.59 2hgh h ALA 185 Cb 0.05 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 2hgh h ALA 185 CO -0.03 0.34 -1.55 1.49 0.00 0.00 0.00 179.25 179.51 2hgh h GLU 186 N 0.08 0.00 0.00 0.00 4.81 -0.94 -0.98 114.58 117.55 2hgh h GLU 186 Ca 0.01 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 2hgh h GLU 186 Cb 0.45 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.83 2hgh h GLU 186 CO 0.03 0.48 -1.02 0.00 -0.73 0.00 0.00 179.01 177.76 2hgh n HIS 188 N -1.57 0.00 0.12 0.00 8.25 0.26 -4.91 115.22 117.37 2hgh n HIS 188 Ca -0.01 -0.51 0.00 0.00 -0.26 0.00 0.00 57.72 56.94 2hgh n HIS 188 Cb 0.14 -0.13 0.00 0.00 1.12 0.00 0.00 29.99 31.13 2hgh n HIS 188 CO 0.00 0.00 0.00 0.94 0.64 0.00 0.00 176.34 177.92 2hgh n GLN 189 N -0.10 0.00 0.00 -0.41 0.00 -1.14 -4.90 117.38 110.84 2hgh n GLN 189 Ca 0.07 0.00 0.05 0.00 -0.00 0.00 0.00 57.00 57.12 2hgh n GLN 189 Cb 0.88 0.00 0.31 0.00 0.00 0.00 0.00 30.24 31.42 2hgh n GLN 189 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.06 173.59