#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 -0.14 -4.93 117.35 117.86 2hgh s TYR 105 Ca 0.00 -0.55 0.01 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 39.72 2hgh s TYR 105 CO 0.00 -0.31 -0.08 0.08 -1.11 0.00 0.00 175.55 174.12 2hgh s VAL 106 N 1.14 3.57 -0.01 0.71 1.01 -1.26 -0.28 120.40 125.28 2hgh s VAL 106 Ca 0.03 -0.52 -0.30 0.00 0.00 0.00 0.00 61.98 61.18 2hgh s VAL 106 Cb -0.14 -2.46 -0.03 0.00 0.00 0.00 0.00 36.38 33.75 2hgh s VAL 106 CO 0.01 0.59 1.05 0.00 0.00 0.00 0.00 175.10 176.75 2hgh n HIS 108 N 4.23 1.19 -1.37 0.00 8.25 -1.26 -2.49 115.22 123.77 2hgh n HIS 108 Ca 0.08 -1.22 -0.34 0.00 -0.26 0.00 0.00 57.72 55.97 2hgh n HIS 108 Cb 0.49 -0.43 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 -3.02 1.97 -0.18 4.41 2.19 -1.26 -4.83 117.98 117.26 2hgh s PHE 109 Ca 0.45 1.61 -0.32 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 38.48 2hgh s PHE 109 CO 0.06 -2.75 2.06 0.39 1.83 0.00 0.00 175.22 176.82 2hgh n GLU 110 N -2.79 1.90 -1.16 10.12 1.02 -1.26 -1.38 120.64 127.09 2hgh n GLU 110 Ca 0.14 0.62 -0.05 0.00 -0.02 0.00 0.00 57.16 57.84 2hgh n GLU 110 Cb 0.50 -2.80 -0.02 0.00 -0.02 0.00 0.00 31.44 29.10 2hgh n GLU 110 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 2hgh n ASN 111 N 8.97 -4.41 0.00 1.62 5.15 -1.26 -4.94 115.26 120.39 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 -2.39 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 2.45 0.65 3.77 0.00 0.00 -1.04 -5.01 105.19 106.02 2hgh n GLY 113 Ca 0.00 -0.36 -0.39 0.00 0.00 0.00 0.00 46.02 45.27 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 -1.72 4.14 -0.04 1.61 2.20 -1.25 -4.78 119.74 119.91 2hgh s LYS 114 Ca 0.00 1.87 0.06 0.00 -0.36 0.00 0.00 55.97 57.54 2hgh s LYS 114 Cb 0.00 -2.76 -0.01 0.00 -1.51 0.00 0.00 37.83 33.55 2hgh s LYS 114 CO 0.00 -0.25 -0.22 0.00 -0.36 0.00 0.00 175.35 174.52 2hgh s ALA 115 N -1.37 1.87 0.17 3.13 0.00 -1.26 -0.22 121.76 124.08 2hgh s ALA 115 Ca 0.55 -0.92 0.08 0.00 0.00 0.00 0.00 51.96 51.66 2hgh s ALA 115 Cb -0.32 -0.54 -0.04 0.00 0.00 0.00 0.00 23.12 22.22 2hgh s ALA 115 CO 0.40 0.40 -0.17 -0.06 0.00 0.00 0.00 175.76 176.34 2hgh s PHE 116 N -0.28 1.71 0.18 0.00 0.40 0.62 -4.98 117.98 115.64 2hgh s PHE 116 Ca 0.02 -0.51 -0.09 0.00 -0.60 0.00 0.00 56.93 55.74 2hgh s PHE 116 Cb -0.11 -0.85 0.08 0.00 0.51 0.00 0.00 43.02 42.65 2hgh s PHE 116 CO 0.01 0.30 1.67 -0.22 0.70 0.00 0.00 175.22 177.68 2hgh h LYS 117 N 3.14 1.07 -4.80 0.44 3.64 -1.97 -0.35 116.57 117.74 2hgh h LYS 117 Ca -0.41 -0.30 -0.34 0.00 -1.27 0.00 0.00 60.65 58.33 2hgh h LYS 117 Cb 1.21 -0.12 -0.23 0.00 -0.41 0.00 0.00 32.23 32.68 2hgh h LYS 117 CO 0.53 1.00 -0.76 0.15 -2.27 0.00 0.00 179.45 178.11 2hgh s LYS 118 N -5.17 0.64 0.48 1.90 -0.14 -1.26 -4.51 119.74 111.68 2hgh s LYS 118 Ca -0.12 -0.68 0.18 0.00 -1.36 0.00 0.00 55.97 53.98 2hgh s LYS 118 Cb 0.14 -0.53 1.17 0.00 -1.68 0.00 0.00 37.83 36.93 2hgh s LYS 118 CO 0.85 0.12 2.05 1.12 -0.76 0.00 0.00 175.35 178.72 2hgh h HIS 119 N 4.84 0.00 -0.14 3.18 2.07 -1.92 -0.75 115.15 122.43 2hgh h HIS 119 Ca -0.36 0.00 -0.05 0.00 -2.85 0.00 0.00 60.37 57.11 2hgh h HIS 119 Cb 1.19 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 31.16 2hgh h HIS 119 CO 0.58 0.14 -0.15 -0.91 -3.07 0.00 0.00 177.93 174.51 2hgh h ASN 120 N 0.00 0.21 0.03 3.10 2.35 -1.98 0.19 115.58 119.47 2hgh h ASN 120 Ca -0.00 -0.04 -0.20 0.00 -0.55 0.00 0.00 56.30 55.51 2hgh h ASN 120 Cb 0.26 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 38.57 2hgh h ASN 120 CO 0.02 0.38 -0.72 1.56 -1.65 0.00 0.00 177.43 177.02 2hgh h GLN 121 N 0.21 0.62 -0.27 0.81 4.20 -1.58 -1.17 115.11 117.94 2hgh h GLN 121 Ca 0.04 -0.48 -0.00 0.00 0.06 0.00 0.00 58.65 58.26 2hgh h GLN 121 Cb 0.39 0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.25 2hgh h GLN 121 CO 0.02 1.11 0.15 1.25 -0.67 0.00 0.00 178.83 180.69 2hgh h LEU 122 N 0.43 0.33 -0.91 1.46 5.85 -0.88 -0.12 115.31 121.47 2hgh h LEU 122 Ca -0.03 -0.08 0.05 0.00 0.84 0.00 0.00 57.88 58.65 2hgh h LEU 122 Cb 1.32 -0.08 -0.06 0.00 0.37 0.00 0.00 40.66 42.21 2hgh h LEU 122 CO 0.14 0.31 0.58 0.11 -0.34 0.00 0.00 178.44 179.24 2hgh h LYS 123 N 0.32 1.07 -0.89 1.25 1.57 -0.63 -1.00 116.57 118.27 2hgh h LYS 123 Ca 0.09 -0.06 0.01 0.00 -1.87 0.00 0.00 60.65 58.82 2hgh h LYS 123 Cb 0.06 -0.24 -0.04 0.00 0.08 0.00 0.00 32.23 32.08 2hgh h LYS 123 CO -0.02 0.71 0.59 0.28 -0.57 0.00 0.00 179.45 180.44 2hgh h VAL 124 N 1.10 1.23 -0.21 0.50 2.07 -0.76 -2.34 116.25 117.84 2hgh h VAL 124 Ca 0.37 -0.41 -0.07 0.00 0.82 0.00 0.00 66.70 67.41 2hgh h VAL 124 Cb 0.07 -0.08 -0.00 0.00 -1.52 0.00 0.00 31.29 29.75 2hgh h VAL 124 CO -0.14 0.22 -0.16 -0.74 0.02 0.00 0.00 177.57 176.77 2hgh h HIS 125 N 1.20 0.57 -0.12 1.57 -0.00 -0.11 -3.18 115.15 115.09 2hgh h HIS 125 Ca 0.33 -0.16 -0.06 0.00 -0.00 0.00 0.00 60.37 60.47 2hgh h HIS 125 Cb -0.14 -0.12 -0.01 0.00 -0.00 0.00 0.00 27.41 27.14 2hgh h HIS 125 CO -0.01 0.80 -0.21 1.96 -0.00 0.00 0.00 177.93 180.47 2hgh h GLN 126 N 0.17 0.20 -0.45 5.26 4.20 -1.10 -1.35 115.11 122.05 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 28.42 2hgh h GLN 126 CO 0.04 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 -1.40 -0.66 116.94 112.72 2hgh h PHE 127 Ca 0.03 0.00 -0.05 0.00 -0.20 0.00 0.00 57.97 57.76 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 -0.08 1.03 -2.00 0.00 0.00 178.31 177.26 2hgh h SER 128 N 0.00 0.35 -0.41 -0.68 0.87 -1.32 0.26 113.55 112.62 2hgh h SER 128 Ca 0.21 -0.42 -0.05 0.00 -1.23 0.00 0.00 61.79 60.30 2hgh h SER 128 Cb 0.91 -0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 62.75 2hgh h SER 128 CO -0.00 0.69 0.07 0.45 -0.53 0.00 0.00 176.83 177.51 2hgh h HIS 129 N 0.01 0.78 0.00 2.24 3.86 -1.23 -2.43 115.15 118.38 2hgh h HIS 129 Ca 0.03 -0.08 0.00 0.00 -1.16 0.00 0.00 60.37 59.16 2hgh h HIS 129 Cb 0.56 -0.22 0.00 0.00 1.06 0.00 0.00 27.41 28.81 2hgh h HIS 129 CO 0.07 0.69 -0.22 1.79 0.86 0.00 0.00 177.93 181.11 2hgh h THR 130 N 0.72 0.00 -3.89 2.45 1.35 -1.14 -3.48 112.91 108.93 2hgh h THR 130 Ca 0.15 -0.87 -0.35 0.00 -0.55 0.00 0.00 66.41 64.80 2hgh h THR 130 Cb 0.33 1.75 -0.01 0.00 -1.73 0.00 0.00 68.15 68.49 2hgh h THR 130 CO 0.01 0.00 -0.47 1.67 -0.25 0.00 0.00 175.52 176.47 2hgh n GLN 131 N -2.80 -2.72 -4.24 4.72 -0.06 0.89 -5.00 117.38 108.18 2hgh n GLN 131 Ca 0.04 0.78 -0.16 0.00 -2.00 0.00 0.00 57.00 55.65 2hgh n GLN 131 Cb 0.51 -5.47 -0.11 0.00 -4.06 0.00 0.00 30.24 21.11 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 -5.29 1.01 -0.13 3.69 1.03 -1.04 -5.04 119.66 113.90 2hgh s GLN 132 Ca 0.11 -1.29 -0.15 0.00 0.04 0.00 0.00 55.36 54.06 2hgh s GLN 132 Cb -0.05 -0.77 -0.05 0.00 0.03 0.00 0.00 33.01 32.18 2hgh s GLN 132 CO 0.13 0.13 0.36 -0.51 -2.54 0.00 0.00 175.29 172.87 2hgh s LEU 133 N -2.68 4.28 0.08 2.60 1.43 -1.26 -4.59 118.68 118.54 2hgh s LEU 133 Ca 0.11 0.66 -0.08 0.00 -1.03 0.00 0.00 54.13 53.79 2hgh s LEU 133 Cb -0.02 -2.50 -0.25 0.00 0.03 0.00 0.00 46.19 43.45 2hgh s LEU 133 CO 0.02 0.10 1.15 1.55 0.23 0.00 0.00 176.35 179.40 2hgh h PRO 134 N 6.44 0.42 -4.05 1.29 0.13 -1.87 -3.43 132.00 130.92 2hgh h PRO 134 Ca -0.43 -0.61 -0.77 0.00 -0.87 0.00 0.00 66.00 63.33 2hgh h PRO 134 Cb 1.18 0.21 -0.24 0.00 0.13 0.00 0.00 31.00 32.27 2hgh h PRO 134 CO 0.74 1.26 -0.08 0.71 -0.23 0.00 0.00 178.00 180.39 2hgh s TYR 135 N -2.87 3.40 -0.06 1.56 2.02 -1.09 -4.98 117.35 115.32 2hgh s TYR 135 Ca -0.06 -1.50 -0.05 0.00 -0.37 0.00 0.00 57.07 55.09 2hgh s TYR 135 Cb 0.07 -3.83 -0.04 0.00 -0.40 0.00 0.00 41.96 37.76 2hgh s TYR 135 CO 0.90 -1.03 0.16 -1.83 -1.57 0.00 0.00 175.55 172.18 2hgh s GLU 136 N 1.22 3.44 -0.16 -0.62 -1.05 -1.26 -0.01 118.70 120.26 2hgh s GLU 136 Ca 0.09 -0.22 -0.29 0.00 -0.15 0.00 0.00 54.97 54.40 2hgh s GLU 136 Cb -0.23 -3.14 -0.01 0.00 -0.44 0.00 0.00 34.13 30.30 2hgh s GLU 136 CO -0.01 0.73 1.22 0.00 0.95 0.00 0.00 175.26 178.15 2hgh n PRO 138 N 6.35 1.78 -2.05 0.00 -0.04 -1.26 -4.55 135.00 135.23 2hgh n PRO 138 Ca 0.13 -1.17 -0.36 0.00 -0.04 0.00 0.00 63.50 62.06 2hgh n PRO 138 Cb 0.45 -1.39 0.03 0.00 -0.04 0.00 0.00 33.50 32.55 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 -1.76 2.47 0.00 0.54 2.46 -1.26 -4.93 115.29 112.81 2hgh s HIS 139 Ca 0.32 1.51 -0.30 0.00 0.47 0.00 0.00 55.06 57.06 2hgh s HIS 139 Cb 0.17 -3.48 -0.07 0.00 -0.13 0.00 0.00 32.58 29.07 2hgh s HIS 139 CO 0.26 -2.13 1.72 -1.21 -2.47 0.00 0.00 174.74 170.90 2hgh s GLU 140 N -3.21 4.18 0.00 2.88 0.41 -1.26 -2.16 118.70 119.54 2hgh s GLU 140 Ca 0.75 2.32 0.00 0.00 -0.41 0.00 0.00 54.97 57.63 2hgh s GLU 140 Cb -0.30 -3.89 0.00 0.00 -1.78 0.00 0.00 34.13 28.15 2hgh s GLU 140 CO 0.34 -0.83 0.00 0.41 -0.49 0.00 0.00 175.26 174.69 2hgh n GLY 141 N 4.17 0.76 3.74 -1.39 0.00 -1.26 -5.06 105.19 106.15 2hgh n GLY 141 Ca 0.17 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.91 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 0.10 0.00 -4.77 0.00 2.03 -1.26 -4.74 116.55 107.91 2hgh n ASP 143 Ca -0.09 -1.12 -0.37 0.00 0.52 0.00 0.00 54.79 53.73 2hgh n ASP 143 Cb 0.53 -0.02 0.00 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 3.56 0.08 -0.67 3.01 -1.26 -4.88 119.74 119.58 2hgh s LYS 144 Ca 0.00 1.86 0.04 0.00 -1.01 0.00 0.00 55.97 56.86 2hgh s LYS 144 Cb 0.00 -2.32 -0.03 0.00 -1.01 0.00 0.00 37.83 34.47 2hgh s LYS 144 CO 0.00 -0.74 -0.11 1.03 0.51 0.00 0.00 175.35 176.04 2hgh s ARG 145 N -2.82 0.78 0.11 1.68 0.52 -1.26 -1.25 118.95 116.71 2hgh s ARG 145 Ca 0.67 -1.03 0.03 0.00 -0.52 0.00 0.00 55.73 54.87 2hgh s ARG 145 Cb -0.31 -0.57 -0.04 0.00 0.52 0.00 0.00 34.95 34.55 2hgh s ARG 145 CO 0.37 0.10 -0.09 -0.06 0.02 0.00 0.00 175.30 175.64 2hgh s PHE 146 N -1.94 1.03 0.00 -0.53 0.08 0.99 -4.99 117.98 112.62 2hgh s PHE 146 Ca 0.01 -0.75 0.11 0.00 0.12 0.00 0.00 56.93 56.41 2hgh s PHE 146 Cb -0.06 -0.56 -0.11 0.00 -0.57 0.00 0.00 43.02 41.72 2hgh s PHE 146 CO 0.01 -0.03 1.29 0.66 -0.10 0.00 0.00 175.22 177.05 2hgh h SER 147 N 3.25 0.00 -3.99 1.36 4.64 -1.96 -2.89 113.55 113.96 2hgh h SER 147 Ca -0.36 0.00 -0.42 0.00 -0.47 0.00 0.00 61.79 60.53 2hgh h SER 147 Cb 1.18 0.00 -0.18 0.00 -0.31 0.00 0.00 62.40 63.09 2hgh h SER 147 CO 0.58 0.80 -0.76 -0.76 -0.87 0.00 0.00 176.83 175.82 2hgh s LEU 148 N -6.55 2.41 0.28 5.97 2.01 -1.26 -4.73 118.68 116.81 2hgh s LEU 148 Ca 0.02 -0.82 0.02 0.00 0.01 0.00 0.00 54.13 53.35 2hgh s LEU 148 Cb 0.09 -0.57 0.41 0.00 0.01 0.00 0.00 46.19 46.13 2hgh s LEU 148 CO 0.79 -0.14 1.74 1.55 1.01 0.00 0.00 176.35 181.30 2hgh h PRO 149 N 3.47 0.53 -0.36 1.29 0.13 -1.94 -2.12 132.00 133.00 2hgh h PRO 149 Ca -0.40 -0.18 -0.05 0.00 -0.87 0.00 0.00 66.00 64.50 2hgh h PRO 149 Cb 1.20 -0.04 -0.02 0.00 0.13 0.00 0.00 31.00 32.27 2hgh h PRO 149 CO 0.51 0.70 0.01 0.66 -0.23 0.00 0.00 178.00 179.65 2hgh h SER 150 N 0.47 0.52 -0.03 1.44 4.64 -1.98 0.11 113.55 118.72 2hgh h SER 150 Ca 0.08 -0.10 -0.20 0.00 -0.47 0.00 0.00 61.79 61.10 2hgh h SER 150 Cb 0.61 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 62.57 2hgh h SER 150 CO 0.04 0.58 -0.71 0.03 -0.87 0.00 0.00 176.83 175.91 2hgh h ARG 151 N 0.53 0.67 -0.23 4.77 3.08 -1.87 -0.82 114.38 120.52 2hgh h ARG 151 Ca 0.11 -0.52 -0.03 0.00 0.07 0.00 0.00 59.98 59.61 2hgh h ARG 151 Cb 0.33 0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.47 2hgh h ARG 151 CO 0.01 1.14 0.01 1.25 -1.07 0.00 0.00 179.97 181.31 2hgh h LEU 152 N 0.47 0.38 -1.00 3.04 5.85 -1.18 -0.38 115.31 122.49 2hgh h LEU 152 Ca -0.03 -0.30 0.05 0.00 0.84 0.00 0.00 57.88 58.44 2hgh h LEU 152 Cb 1.31 -0.10 -0.06 0.00 0.37 0.00 0.00 40.66 42.18 2hgh h LEU 152 CO 0.14 0.59 0.65 0.50 -0.34 0.00 0.00 178.44 179.98 2hgh h LYS 153 N 0.17 1.19 -0.16 1.25 3.64 -0.70 -0.74 116.57 121.22 2hgh h LYS 153 Ca 0.07 -0.07 -0.18 0.00 -1.27 0.00 0.00 60.65 59.19 2hgh h LYS 153 Cb 0.38 -0.27 -0.00 0.00 -0.41 0.00 0.00 32.23 31.93 2hgh h LYS 153 CO 0.01 0.78 -0.65 -0.09 -2.27 0.00 0.00 179.45 177.23 2hgh h ARG 154 N 1.22 0.59 -0.44 1.90 2.43 -1.06 -2.90 114.38 116.12 2hgh h ARG 154 Ca 0.41 -0.42 0.03 0.00 -0.81 0.00 0.00 59.98 59.19 2hgh h ARG 154 Cb 0.08 0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.68 2hgh h ARG 154 CO -0.15 1.04 0.29 1.25 -1.51 0.00 0.00 179.97 180.90 2hgh h HIS 155 N 0.43 0.46 -0.21 2.20 2.76 -0.28 -1.44 115.15 119.07 2hgh h HIS 155 Ca -0.02 0.01 0.05 0.00 -2.20 0.00 0.00 60.37 58.21 2hgh h HIS 155 Cb 1.23 -0.16 -0.01 0.00 1.55 0.00 0.00 27.41 30.02 2hgh h HIS 155 CO 0.06 0.27 0.15 1.49 -1.30 0.00 0.00 177.93 178.60 2hgh h GLU 156 N 0.48 0.07 -0.03 5.26 4.81 -0.94 0.06 114.58 124.29 2hgh h GLU 156 Ca 0.18 -0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.41 2hgh h GLU 156 Cb 0.10 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.47 2hgh h GLU 156 CO -0.04 0.04 0.03 -0.22 -0.73 0.00 0.00 179.01 178.09 2hgh h LYS 157 N 0.07 0.00 -0.69 1.92 3.64 -1.33 -0.92 116.57 119.26 2hgh h LYS 157 Ca 0.10 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.46 2hgh h LYS 157 Cb 0.29 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.08 2hgh h LYS 157 CO -0.01 0.00 0.36 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 -1.11 0.79 116.25 121.22 2hgh h VAL 158 Ca 0.01 -0.57 -0.16 0.00 0.82 0.00 0.00 66.70 66.81 2hgh h VAL 158 Cb 0.07 0.34 -0.02 0.00 -1.52 0.00 0.00 31.29 30.16 2hgh h VAL 158 CO -0.00 0.24 -0.76 0.45 0.02 0.00 0.00 177.57 177.53 2hgh h HIS 159 N 0.95 0.00 0.00 1.57 3.86 -1.33 -3.00 115.15 117.20 2hgh h HIS 159 Ca 0.24 0.00 -0.10 0.00 -1.16 0.00 0.00 60.37 59.35 2hgh h HIS 159 Cb 0.06 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.52 2hgh h HIS 159 CO -0.00 0.76 -0.49 0.00 0.86 0.00 0.00 177.93 179.05 2hgh h ALA 160 N 1.24 1.09 0.00 2.45 0.00 -0.97 -3.50 119.26 119.58 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 1.40 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.11 2hgh h ALA 160 CO 0.10 0.62 0.00 0.41 0.00 0.00 0.00 179.25 180.38 2hgh n GLY 161 N 0.05 -0.66 2.88 0.00 0.00 0.24 -4.90 105.19 102.81 2hgh n GLY 161 Ca -0.01 -1.72 -0.30 0.00 0.00 0.00 0.00 46.02 43.99 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 -1.60 2.86 0.22 1.61 1.51 0.43 -4.85 117.35 117.53 2hgh s TYR 162 Ca 0.00 -2.73 -0.29 0.00 -1.01 0.00 0.00 57.07 53.04 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 0.92 -1.25 -1.11 0.00 0.00 175.55 173.28 2hgh s PRO 163 N 0.53 4.82 0.34 -1.71 0.04 -1.26 -0.82 135.00 136.94 2hgh s PRO 163 Ca 0.14 1.45 -0.28 0.00 0.04 0.00 0.00 61.00 62.35 2hgh s PRO 163 Cb -0.22 -3.28 -0.09 0.00 0.04 0.00 0.00 34.50 30.94 2hgh s PRO 163 CO -0.06 0.51 1.21 0.00 0.04 0.00 0.00 177.00 178.70 2hgh n LYS 165 N 0.66 0.02 0.27 0.00 5.02 -1.26 -4.78 118.16 118.09 2hgh n LYS 165 Ca 0.01 -0.59 0.15 0.00 -2.02 0.00 0.00 58.31 55.86 2hgh n LYS 165 Cb 0.44 -0.50 0.71 0.00 -0.02 0.00 0.00 35.03 35.66 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 -2.95 1.97 1.79 -1.99 -3.43 116.57 111.96 2hgh h LYS 166 Ca 0.00 0.00 -0.14 0.00 -2.18 0.00 0.00 60.65 58.33 2hgh h LYS 166 Cb 1.06 0.00 -0.24 0.00 -1.58 0.00 0.00 32.23 31.47 2hgh h LYS 166 CO 0.00 0.08 -0.32 0.34 -1.08 0.00 0.00 179.45 178.46 2hgh s ASP 167 N -5.84 -0.32 0.54 0.86 2.15 -1.26 -5.05 116.67 107.75 2hgh s ASP 167 Ca -0.01 0.58 0.32 0.00 0.43 0.00 0.00 52.55 53.88 2hgh s ASP 167 Cb 0.11 0.62 1.44 0.00 -0.30 0.00 0.00 42.92 44.79 2hgh s ASP 167 CO 0.56 -0.16 2.02 -2.24 -0.17 0.00 0.00 175.17 175.17 2hgh h ASP 168 N 5.37 0.00 -0.61 -0.34 2.03 -1.96 -2.32 116.42 118.60 2hgh h ASP 168 Ca -0.27 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.03 2hgh h ASP 168 Cb 1.19 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.69 2hgh h ASP 168 CO 0.31 0.06 0.00 -1.20 -1.03 0.00 0.00 179.24 177.38 2hgh n SER 169 N -3.22 5.16 -4.93 4.15 7.64 -1.26 -4.93 113.62 116.22 2hgh n SER 169 Ca -0.00 -2.66 -0.25 0.00 1.01 0.00 0.00 58.87 56.97 2hgh n SER 169 Cb 0.29 -0.63 -0.01 0.00 -1.01 0.00 0.00 64.21 62.85 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 -1.81 0.00 -4.76 0.00 3.41 -1.26 -4.97 113.62 104.22 2hgh n SER 171 Ca -0.03 -1.00 -0.41 0.00 -0.26 0.00 0.00 58.87 57.17 2hgh n SER 171 Cb 0.56 0.00 -0.02 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 2.96 -0.12 7.33 2.19 -1.26 -4.86 117.98 124.22 2hgh s PHE 172 Ca 0.00 1.26 -0.00 0.00 0.33 0.00 0.00 56.93 58.52 2hgh s PHE 172 Cb 0.00 -3.78 0.02 0.00 -1.31 0.00 0.00 43.02 37.95 2hgh s PHE 172 CO 0.00 -2.29 -0.10 0.08 1.83 0.00 0.00 175.22 174.74 2hgh s VAL 173 N -0.79 1.17 0.09 3.12 1.01 -1.26 -0.76 120.40 122.97 2hgh s VAL 173 Ca 0.53 -0.38 -0.24 0.00 0.00 0.00 0.00 61.98 61.88 2hgh s VAL 173 Cb -0.41 -1.15 -0.06 0.00 0.00 0.00 0.00 36.38 34.75 2hgh s VAL 173 CO 0.52 0.39 0.74 -0.83 0.00 0.00 0.00 175.10 175.92 2hgh s GLY 174 N 1.59 2.81 0.55 4.51 0.00 0.00 -4.79 107.32 112.00 2hgh s GLY 174 Ca 0.04 0.27 0.36 0.00 0.00 0.00 0.00 44.72 45.39 2hgh s GLY 174 CO -0.08 0.94 2.07 0.07 0.00 0.00 0.00 173.10 176.10 2hgh h LYS 175 N 5.11 0.00 -3.65 2.90 2.10 -1.89 0.12 116.57 121.26 2hgh h LYS 175 Ca -0.46 0.00 -0.07 0.00 -2.00 0.00 0.00 60.65 58.12 2hgh h LYS 175 Cb 1.21 0.00 -0.13 0.00 -0.90 0.00 0.00 32.23 32.41 2hgh h LYS 175 CO 0.68 0.00 -0.22 0.95 -2.00 0.00 0.00 179.45 178.86 2hgh s THR 176 N -3.79 0.09 0.25 0.07 -4.23 -1.26 -4.65 115.64 102.11 2hgh s THR 176 Ca -0.01 -1.02 -0.05 0.00 -1.18 0.00 0.00 61.69 59.43 2hgh s THR 176 Cb 0.10 -1.46 0.24 0.00 1.34 0.00 0.00 72.50 72.71 2hgh s THR 176 CO 0.46 -0.39 1.87 -0.25 -0.54 0.00 0.00 174.62 175.77 2hgh h TRP 177 N 2.52 1.10 -0.48 3.99 -0.00 -1.95 -2.13 115.95 119.00 2hgh h TRP 177 Ca -0.33 0.03 0.05 0.00 -0.00 0.00 0.00 58.89 58.64 2hgh h TRP 177 Cb 1.23 -0.36 -0.04 0.00 -0.00 0.00 0.00 29.16 29.99 2hgh h TRP 177 CO 0.38 0.59 0.23 1.79 -0.00 0.00 0.00 178.44 181.43 2hgh h THR 178 N 1.10 0.93 -0.26 2.65 1.35 -1.98 -1.56 112.91 115.14 2hgh h THR 178 Ca 0.39 -0.15 -0.04 0.00 -0.55 0.00 0.00 66.41 66.05 2hgh h THR 178 Cb 0.11 0.45 -0.01 0.00 -1.73 0.00 0.00 68.15 66.96 2hgh h THR 178 CO -0.15 0.08 -0.03 -0.07 -0.25 0.00 0.00 175.52 175.10 2hgh h LEU 179 N 0.45 0.37 -0.06 3.87 3.38 -1.78 0.19 115.31 121.73 2hgh h LEU 179 Ca 0.22 -0.07 -0.03 0.00 0.09 0.00 0.00 57.88 58.08 2hgh h LEU 179 Cb 0.15 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 40.80 2hgh h LEU 179 CO -0.17 0.46 -0.10 0.22 0.09 0.00 0.00 178.44 178.95 2hgh h TYR 180 N 0.39 0.21 -0.86 1.13 3.20 -1.25 -0.59 116.97 119.20 2hgh h TYR 180 Ca 0.08 -0.07 0.01 0.00 3.14 0.00 0.00 58.73 61.89 2hgh h TYR 180 Cb 0.31 -0.04 -0.04 0.00 1.54 0.00 0.00 36.73 38.50 2hgh h TYR 180 CO 0.01 0.68 0.56 -0.07 -1.64 0.00 0.00 178.16 177.70 2hgh h LEU 181 N -0.31 1.00 -0.50 2.82 3.38 -0.94 0.15 115.31 120.91 2hgh h LEU 181 Ca 0.00 -0.03 -0.04 0.00 0.09 0.00 0.00 57.88 57.90 2hgh h LEU 181 Cb 0.66 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 2hgh h LEU 181 CO 0.02 0.73 0.16 0.50 0.09 0.00 0.00 178.44 179.94 2hgh h LYS 182 N 1.17 0.78 -0.87 1.13 3.64 -0.65 -2.45 116.57 119.31 2hgh h LYS 182 Ca 0.31 -0.17 -0.02 0.00 -1.27 0.00 0.00 60.65 59.51 2hgh h LYS 182 Cb -0.12 -0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 31.55 2hgh h LYS 182 CO -0.07 0.73 0.46 1.25 -2.27 0.00 0.00 179.45 179.55 2hgh h HIS 183 N 0.68 1.22 -0.42 1.91 2.76 -0.42 -2.77 115.15 118.10 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 0.27 -0.39 -0.02 0.00 1.55 0.00 0.00 27.41 28.83 2hgh h HIS 183 CO 0.01 0.85 0.21 0.28 -1.30 0.00 0.00 177.93 177.99 2hgh h VAL 184 N 1.23 1.17 -0.06 5.26 2.07 -0.79 0.15 116.25 125.28 2hgh h VAL 184 Ca 0.30 -0.49 -0.07 0.00 0.82 0.00 0.00 66.70 67.27 2hgh h VAL 184 Cb 0.06 0.72 -0.01 0.00 -1.52 0.00 0.00 31.29 30.54 2hgh h VAL 184 CO -0.05 0.19 -0.27 0.00 0.02 0.00 0.00 177.57 177.47 2hgh h ALA 185 N 1.05 1.44 0.10 1.67 0.00 -1.21 0.54 119.26 122.86 2hgh h ALA 185 Ca 0.15 -0.28 -0.32 0.00 0.00 0.00 0.00 54.91 54.46 2hgh h ALA 185 Cb 0.11 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 2hgh h ALA 185 CO -0.02 0.40 -1.72 0.93 0.00 0.00 0.00 179.25 178.85 2hgh h GLU 186 N 0.10 0.21 0.00 0.00 5.08 -1.30 -3.34 114.58 115.31 2hgh h GLU 186 Ca 0.01 -0.35 -0.01 0.00 -1.00 0.00 0.00 59.36 58.01 2hgh h GLU 186 Cb 0.53 0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.91 2hgh h GLU 186 CO 0.04 1.17 -1.44 0.00 -1.00 0.00 0.00 179.01 177.78 2hgh n HIS 188 N -2.53 2.26 -0.30 0.00 8.25 0.18 -4.90 115.22 118.18 2hgh n HIS 188 Ca -0.03 -2.85 0.18 0.00 -0.26 0.00 0.00 57.72 54.76 2hgh n HIS 188 Cb 0.58 -0.24 0.44 0.00 1.12 0.00 0.00 29.99 31.90 2hgh n HIS 188 CO 0.00 0.00 0.00 1.96 0.64 0.00 0.00 176.34 178.94 2hgh h GLN 189 N 2.74 0.51 0.00 -0.41 4.20 -1.68 -3.44 115.11 117.02 2hgh h GLN 189 Ca 0.10 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.78 2hgh h GLN 189 Cb 1.10 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 28.76 2hgh h GLN 189 CO 0.65 0.34 0.00 -3.47 -0.67 0.00 0.00 178.83 175.68