#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 -0.17 -4.94 117.35 117.82 2hgh s TYR 105 Ca 0.00 -0.56 0.01 0.00 -1.01 0.00 0.00 57.07 55.51 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 -0.33 -0.09 0.08 -1.11 0.00 0.00 175.55 174.11 2hgh s VAL 106 N 1.18 3.54 0.01 0.71 1.01 -1.26 -0.26 120.40 125.33 2hgh s VAL 106 Ca 0.03 -0.54 -0.30 0.00 0.00 0.00 0.00 61.98 61.17 2hgh s VAL 106 Cb -0.14 -2.44 -0.04 0.00 0.00 0.00 0.00 36.38 33.76 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 4.05 1.08 -1.37 0.00 8.25 -1.26 -2.57 115.22 123.40 2hgh n HIS 108 Ca 0.08 -1.23 -0.34 0.00 -0.26 0.00 0.00 57.72 55.96 2hgh n HIS 108 Cb 0.49 -0.42 0.10 0.00 1.12 0.00 0.00 29.99 31.28 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 -3.03 1.97 -0.18 4.41 2.19 -1.26 -4.83 117.98 117.25 2hgh s PHE 109 Ca 0.44 1.61 -0.32 0.00 0.33 0.00 0.00 56.93 58.98 2hgh s PHE 109 Cb 0.37 -3.51 -0.09 0.00 -1.31 0.00 0.00 43.02 38.48 2hgh s PHE 109 CO 0.05 -2.75 2.07 -1.91 1.83 0.00 0.00 175.22 174.51 2hgh n GLU 110 N -2.79 1.92 -1.16 10.12 2.13 -1.26 -1.35 120.64 128.24 2hgh n GLU 110 Ca 0.14 0.63 -0.06 0.00 0.66 0.00 0.00 57.16 58.53 2hgh n GLU 110 Cb 0.50 -2.81 -0.02 0.00 0.27 0.00 0.00 31.44 29.37 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 8.99 -4.41 0.00 4.31 5.15 -1.26 -4.94 115.26 123.10 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 37.18 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 2.43 0.61 3.77 0.00 0.00 -1.06 -5.01 105.19 105.93 2hgh n GLY 113 Ca 0.00 -0.31 -0.39 0.00 0.00 0.00 0.00 46.02 45.33 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 -1.60 4.16 -0.03 1.61 2.20 -1.25 -4.78 119.74 120.04 2hgh s LYS 114 Ca 0.00 1.90 0.06 0.00 -0.36 0.00 0.00 55.97 57.57 2hgh s LYS 114 Cb 0.00 -2.79 -0.01 0.00 -1.51 0.00 0.00 37.83 33.52 2hgh s LYS 114 CO 0.00 -0.25 -0.23 0.00 -0.36 0.00 0.00 175.35 174.52 2hgh s ALA 115 N -1.35 1.92 0.11 3.13 0.00 -1.26 -0.27 121.76 124.04 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 -0.54 -0.04 0.00 0.00 0.00 0.00 23.12 22.22 2hgh s ALA 115 CO 0.41 0.42 -0.19 -0.06 0.00 0.00 0.00 175.76 176.34 2hgh s PHE 116 N -0.33 1.69 0.34 0.00 0.40 0.64 -4.98 117.98 115.73 2hgh s PHE 116 Ca 0.03 -0.44 0.04 0.00 -0.60 0.00 0.00 56.93 55.97 2hgh s PHE 116 Cb -0.11 -0.91 0.61 0.00 0.51 0.00 0.00 43.02 43.12 2hgh s PHE 116 CO 0.01 0.20 1.88 -0.22 0.70 0.00 0.00 175.22 177.79 2hgh h LYS 117 N 3.94 0.52 -4.35 0.44 3.64 -1.97 -0.43 116.57 118.36 2hgh h LYS 117 Ca -0.44 -0.11 -0.26 0.00 -1.27 0.00 0.00 60.65 58.57 2hgh h LYS 117 Cb 1.19 -0.08 -0.23 0.00 -0.41 0.00 0.00 32.23 32.70 2hgh h LYS 117 CO 0.42 0.55 -0.73 0.15 -2.27 0.00 0.00 179.45 177.57 2hgh s LYS 118 N -4.98 0.43 0.46 1.90 -0.14 -1.26 -4.58 119.74 111.57 2hgh s LYS 118 Ca -0.08 -0.57 0.17 0.00 -1.36 0.00 0.00 55.97 54.14 2hgh s LYS 118 Cb 0.16 -0.22 1.10 0.00 -1.68 0.00 0.00 37.83 37.19 2hgh s LYS 118 CO 0.76 0.04 2.01 1.12 -0.76 0.00 0.00 175.35 178.52 2hgh h HIS 119 N 4.92 0.00 -0.37 3.18 2.07 -1.91 -1.63 115.15 121.42 2hgh h HIS 119 Ca -0.33 0.00 -0.05 0.00 -2.85 0.00 0.00 60.37 57.14 2hgh h HIS 119 Cb 1.20 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 31.16 2hgh h HIS 119 CO 0.59 0.17 0.02 -0.91 -3.07 0.00 0.00 177.93 174.73 2hgh h ASN 120 N 0.00 0.53 0.15 3.10 2.35 -1.99 0.11 115.58 119.83 2hgh h ASN 120 Ca -0.00 -0.10 -0.19 0.00 -0.55 0.00 0.00 56.30 55.46 2hgh h ASN 120 Cb 0.33 -0.14 -0.00 0.00 0.05 0.00 0.00 38.32 38.56 2hgh h ASN 120 CO 0.02 0.59 -0.72 1.56 -1.65 0.00 0.00 177.43 177.24 2hgh h GLN 121 N 0.54 0.50 -0.28 0.81 4.20 -1.74 -1.60 115.11 117.53 2hgh h GLN 121 Ca 0.12 -0.39 0.00 0.00 0.06 0.00 0.00 58.65 58.43 2hgh h GLN 121 Cb 0.33 0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.17 2hgh h GLN 121 CO 0.01 1.02 0.19 1.25 -0.67 0.00 0.00 178.83 180.63 2hgh h LEU 122 N 0.35 0.33 -0.67 1.46 5.85 -0.83 0.54 115.31 122.34 2hgh h LEU 122 Ca -0.03 -0.01 0.05 0.00 0.84 0.00 0.00 57.88 58.72 2hgh h LEU 122 Cb 1.30 -0.08 -0.05 0.00 0.37 0.00 0.00 40.66 42.19 2hgh h LEU 122 CO 0.13 0.24 0.39 0.11 -0.34 0.00 0.00 178.44 178.98 2hgh h LYS 123 N 0.38 0.73 -0.91 1.25 1.57 -0.76 -1.01 116.57 117.82 2hgh h LYS 123 Ca 0.10 -0.04 0.03 0.00 -1.87 0.00 0.00 60.65 58.87 2hgh h LYS 123 Cb -0.04 -0.16 -0.05 0.00 0.08 0.00 0.00 32.23 32.05 2hgh h LYS 123 CO -0.02 0.48 0.59 0.28 -0.57 0.00 0.00 179.45 180.21 2hgh h VAL 124 N 0.75 1.15 -0.23 0.50 2.07 -0.75 -2.03 116.25 117.71 2hgh h VAL 124 Ca 0.29 -0.39 -0.07 0.00 0.82 0.00 0.00 66.70 67.35 2hgh h VAL 124 Cb 0.11 -0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 29.79 2hgh h VAL 124 CO -0.15 0.21 -0.12 -0.74 0.02 0.00 0.00 177.57 176.79 2hgh h HIS 125 N 1.14 0.57 -0.12 1.57 -0.00 -0.19 -3.16 115.15 114.95 2hgh h HIS 125 Ca 0.36 -0.14 -0.06 0.00 -0.00 0.00 0.00 60.37 60.53 2hgh h HIS 125 Cb 0.00 -0.13 -0.01 0.00 -0.00 0.00 0.00 27.41 27.27 2hgh h HIS 125 CO -0.01 0.77 -0.19 1.96 -0.00 0.00 0.00 177.93 180.46 2hgh h GLN 126 N 0.21 0.20 -0.45 5.26 4.20 -0.98 -1.43 115.11 122.12 2hgh h GLN 126 Ca 0.05 -0.05 0.13 0.00 0.06 0.00 0.00 58.65 58.84 2hgh h GLN 126 Cb 0.62 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.36 2hgh h GLN 126 CO 0.04 0.39 0.35 0.27 -0.67 0.00 0.00 178.83 179.21 2hgh h PHE 127 N 0.19 0.00 -0.15 2.96 -5.15 -1.33 -0.72 116.94 112.73 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 0.45 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 36.61 2hgh h PHE 127 CO 0.01 0.00 -0.06 1.03 -2.00 0.00 0.00 178.31 177.29 2hgh h SER 128 N 0.00 0.31 -0.41 -0.68 0.87 -1.34 0.23 113.55 112.54 2hgh h SER 128 Ca 0.21 -0.39 -0.06 0.00 -1.23 0.00 0.00 61.79 60.33 2hgh h SER 128 Cb 0.92 -0.09 -0.02 0.00 -0.44 0.00 0.00 62.40 62.77 2hgh h SER 128 CO -0.00 0.63 0.07 0.45 -0.53 0.00 0.00 176.83 177.45 2hgh h HIS 129 N -0.01 0.78 0.00 2.24 3.86 -1.25 -2.38 115.15 118.40 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 0.51 -0.22 0.00 0.00 1.06 0.00 0.00 27.41 28.75 2hgh h HIS 129 CO 0.06 0.69 -0.16 1.79 0.86 0.00 0.00 177.93 181.17 2hgh h THR 130 N 0.72 0.00 -4.15 2.45 1.35 -1.16 -3.48 112.91 108.64 2hgh h THR 130 Ca 0.15 -0.84 -0.35 0.00 -0.55 0.00 0.00 66.41 64.82 2hgh h THR 130 Cb 0.34 1.75 -0.01 0.00 -1.73 0.00 0.00 68.15 68.50 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 -2.78 -2.99 -4.24 4.72 -0.06 0.79 -5.00 117.38 107.83 2hgh n GLN 131 Ca 0.04 0.73 -0.17 0.00 -2.00 0.00 0.00 57.00 55.60 2hgh n GLN 131 Cb 0.50 -5.43 -0.11 0.00 -4.06 0.00 0.00 30.24 21.15 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 -5.40 1.01 -0.13 3.69 1.03 -1.05 -5.04 119.66 113.78 2hgh s GLN 132 Ca 0.15 -1.27 -0.14 0.00 0.04 0.00 0.00 55.36 54.15 2hgh s GLN 132 Cb -0.08 -0.80 -0.05 0.00 0.03 0.00 0.00 33.01 32.11 2hgh s GLN 132 CO 0.19 0.14 0.32 -0.51 -2.54 0.00 0.00 175.29 172.89 2hgh s LEU 133 N -2.59 4.30 0.07 2.60 1.43 -1.26 -4.60 118.68 118.62 2hgh s LEU 133 Ca 0.10 0.61 -0.08 0.00 -1.03 0.00 0.00 54.13 53.73 2hgh s LEU 133 Cb -0.03 -2.41 -0.27 0.00 0.03 0.00 0.00 46.19 43.50 2hgh s LEU 133 CO 0.02 0.15 1.13 1.55 0.23 0.00 0.00 176.35 179.44 2hgh h PRO 134 N 6.21 0.40 -3.98 1.29 0.13 -1.90 -3.43 132.00 130.72 2hgh h PRO 134 Ca -0.44 -0.61 -0.77 0.00 -0.87 0.00 0.00 66.00 63.31 2hgh h PRO 134 Cb 1.18 0.22 -0.25 0.00 0.13 0.00 0.00 31.00 32.28 2hgh h PRO 134 CO 0.72 1.27 0.02 0.71 -0.23 0.00 0.00 178.00 180.49 2hgh s TYR 135 N -2.78 3.55 -0.07 1.56 2.02 -1.12 -4.99 117.35 115.53 2hgh s TYR 135 Ca -0.06 -1.71 -0.05 0.00 -0.37 0.00 0.00 57.07 54.88 2hgh s TYR 135 Cb 0.06 -3.84 -0.04 0.00 -0.40 0.00 0.00 41.96 37.75 2hgh s TYR 135 CO 0.90 -1.03 0.14 -1.83 -1.57 0.00 0.00 175.55 172.16 2hgh s GLU 136 N 0.80 3.37 -0.08 -0.62 -1.05 -1.26 -0.03 118.70 119.83 2hgh s GLU 136 Ca 0.13 -0.24 -0.30 0.00 -0.15 0.00 0.00 54.97 54.41 2hgh s GLU 136 Cb -0.17 -3.10 -0.03 0.00 -0.44 0.00 0.00 34.13 30.39 2hgh s GLU 136 CO -0.05 0.73 1.29 0.00 0.95 0.00 0.00 175.26 178.18 2hgh n PRO 138 N 5.87 1.95 -2.21 0.00 -0.04 -1.26 -4.49 135.00 134.82 2hgh n PRO 138 Ca 0.13 -1.43 -0.35 0.00 -0.04 0.00 0.00 63.50 61.82 2hgh n PRO 138 Cb 0.45 -1.43 0.00 0.00 -0.04 0.00 0.00 33.50 32.49 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 -1.73 2.71 0.23 0.54 3.76 -1.26 -4.98 115.29 114.55 2hgh s HIS 139 Ca 0.34 1.55 -0.30 0.00 -0.15 0.00 0.00 55.06 56.49 2hgh s HIS 139 Cb 0.19 -3.24 -0.10 0.00 1.11 0.00 0.00 32.58 30.54 2hgh s HIS 139 CO 0.28 -1.50 1.41 -1.83 -0.85 0.00 0.00 174.74 172.25 2hgh s GLU 140 N -3.42 4.29 0.00 1.40 -1.05 -1.26 -2.42 118.70 116.25 2hgh s GLU 140 Ca 0.71 2.24 0.00 0.00 -0.15 0.00 0.00 54.97 57.77 2hgh s GLU 140 Cb -0.22 -3.13 0.00 0.00 -0.44 0.00 0.00 34.13 30.33 2hgh s GLU 140 CO 0.29 -0.39 0.00 0.41 0.95 0.00 0.00 175.26 176.52 2hgh n GLY 141 N 2.32 0.86 3.44 -3.83 0.00 -1.26 -5.02 105.19 101.69 2hgh n GLY 141 Ca 0.07 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.81 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 0.54 0.00 -4.76 0.00 2.03 -1.26 -4.70 116.55 108.40 2hgh n ASP 143 Ca -0.15 -1.29 -0.37 0.00 0.52 0.00 0.00 54.79 53.51 2hgh n ASP 143 Cb 0.54 -0.06 0.03 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 3.20 0.06 -0.67 1.02 -1.26 -4.82 119.74 117.27 2hgh s LYS 144 Ca 0.00 1.93 0.03 0.00 0.02 0.00 0.00 55.97 57.95 2hgh s LYS 144 Cb 0.00 -2.13 -0.03 0.00 -0.52 0.00 0.00 37.83 35.15 2hgh s LYS 144 CO 0.00 -1.05 -0.09 1.03 -0.92 0.00 0.00 175.35 174.32 2hgh s ARG 145 N -3.07 0.67 0.12 1.68 0.52 -1.26 -0.65 118.95 116.95 2hgh s ARG 145 Ca 0.73 -0.92 0.03 0.00 -0.52 0.00 0.00 55.73 55.05 2hgh s ARG 145 Cb -0.33 -0.42 -0.04 0.00 0.52 0.00 0.00 34.95 34.68 2hgh s ARG 145 CO 0.37 0.07 -0.08 -0.06 0.02 0.00 0.00 175.30 175.63 2hgh s PHE 146 N -1.76 1.05 -0.43 -0.53 0.08 0.96 -4.98 117.98 112.38 2hgh s PHE 146 Ca -0.04 -0.85 0.23 0.00 0.12 0.00 0.00 56.93 56.39 2hgh s PHE 146 Cb -0.07 -0.57 0.24 0.00 -0.57 0.00 0.00 43.02 42.04 2hgh s PHE 146 CO 0.00 -0.06 1.32 0.66 -0.10 0.00 0.00 175.22 177.04 2hgh h SER 147 N 2.88 0.00 -5.06 1.36 4.64 -1.97 -2.96 113.55 112.45 2hgh h SER 147 Ca -0.36 -0.05 -0.15 0.00 -0.47 0.00 0.00 61.79 60.76 2hgh h SER 147 Cb 1.18 0.00 -0.19 0.00 -0.31 0.00 0.00 62.40 63.08 2hgh h SER 147 CO 0.64 0.03 -0.67 -0.76 -0.87 0.00 0.00 176.83 175.19 2hgh s LEU 148 N -5.24 2.25 0.30 5.97 1.43 -1.26 -4.83 118.68 117.30 2hgh s LEU 148 Ca 0.04 -0.62 0.04 0.00 -1.03 0.00 0.00 54.13 52.56 2hgh s LEU 148 Cb 0.09 0.19 0.48 0.00 0.03 0.00 0.00 46.19 46.99 2hgh s LEU 148 CO 0.73 -0.40 1.76 1.55 0.23 0.00 0.00 176.35 180.21 2hgh h PRO 149 N 4.16 0.40 -0.57 1.29 0.13 -1.96 -1.95 132.00 133.50 2hgh h PRO 149 Ca -0.33 -0.14 -0.05 0.00 -0.87 0.00 0.00 66.00 64.61 2hgh h PRO 149 Cb 1.19 -0.03 -0.03 0.00 0.13 0.00 0.00 31.00 32.27 2hgh h PRO 149 CO 0.48 0.63 0.15 0.66 -0.23 0.00 0.00 178.00 179.68 2hgh h SER 150 N 0.36 0.82 -0.15 1.44 4.64 -1.98 0.88 113.55 119.56 2hgh h SER 150 Ca 0.05 -0.15 -0.20 0.00 -0.47 0.00 0.00 61.79 61.03 2hgh h SER 150 Cb 0.63 -0.21 0.00 0.00 -0.31 0.00 0.00 62.40 62.51 2hgh h SER 150 CO 0.05 0.80 -0.67 -0.09 -0.87 0.00 0.00 176.83 176.05 2hgh h ARG 151 N 0.85 0.77 -0.36 4.77 2.43 -1.87 -0.83 114.38 120.13 2hgh h ARG 151 Ca 0.19 -0.56 -0.01 0.00 -0.81 0.00 0.00 59.98 58.78 2hgh h ARG 151 Cb 0.30 0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.93 2hgh h ARG 151 CO -0.00 1.18 0.17 1.25 -1.51 0.00 0.00 179.97 181.06 2hgh h LEU 152 N 0.56 0.48 -1.17 3.80 5.85 -1.21 -0.81 115.31 122.81 2hgh h LEU 152 Ca -0.02 -0.14 0.03 0.00 0.84 0.00 0.00 57.88 58.59 2hgh h LEU 152 Cb 1.28 -0.12 -0.05 0.00 0.37 0.00 0.00 40.66 42.14 2hgh h LEU 152 CO 0.14 0.48 0.57 0.50 -0.34 0.00 0.00 178.44 179.78 2hgh h LYS 153 N 0.44 1.07 -0.46 1.25 3.64 -0.68 0.01 116.57 121.85 2hgh h LYS 153 Ca 0.12 -0.06 -0.13 0.00 -1.27 0.00 0.00 60.65 59.31 2hgh h LYS 153 Cb 0.13 -0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 31.70 2hgh h LYS 153 CO -0.01 0.71 -0.21 -0.09 -2.27 0.00 0.00 179.45 177.57 2hgh h ARG 154 N 1.10 0.95 -0.37 1.90 2.43 -0.90 -2.73 114.38 116.76 2hgh h ARG 154 Ca 0.33 -0.41 -0.01 0.00 -0.81 0.00 0.00 59.98 59.09 2hgh h ARG 154 Cb -0.02 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.48 2hgh h ARG 154 CO -0.09 1.07 0.19 1.25 -1.51 0.00 0.00 179.97 180.88 2hgh h HIS 155 N 0.79 0.49 -0.25 2.20 2.76 -0.37 -1.86 115.15 118.91 2hgh h HIS 155 Ca 0.10 -0.00 0.05 0.00 -2.20 0.00 0.00 60.37 58.32 2hgh h HIS 155 Cb 0.78 -0.16 -0.01 0.00 1.55 0.00 0.00 27.41 29.57 2hgh h HIS 155 CO 0.05 0.36 0.17 1.49 -1.30 0.00 0.00 177.93 178.70 2hgh h GLU 156 N 0.51 0.13 -0.04 5.26 4.81 -0.70 -0.05 114.58 124.51 2hgh h GLU 156 Ca 0.13 -0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.36 2hgh h GLU 156 Cb 0.04 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 29.39 2hgh h GLU 156 CO -0.02 0.09 0.04 -0.22 -0.73 0.00 0.00 179.01 178.17 2hgh h LYS 157 N 0.14 0.00 -0.65 1.92 3.64 -1.32 -0.88 116.57 119.42 2hgh h LYS 157 Ca 0.11 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.48 2hgh h LYS 157 Cb 0.27 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.06 2hgh h LYS 157 CO -0.02 0.00 0.34 0.28 -2.27 0.00 0.00 179.45 177.79 2hgh h VAL 158 N 0.00 1.21 0.01 2.00 2.07 -1.13 -0.19 116.25 120.21 2hgh h VAL 158 Ca 0.02 -0.54 -0.19 0.00 0.82 0.00 0.00 66.70 66.81 2hgh h VAL 158 Cb 0.10 0.38 -0.02 0.00 -1.52 0.00 0.00 31.29 30.23 2hgh h VAL 158 CO -0.00 0.23 -0.88 0.45 0.02 0.00 0.00 177.57 177.40 2hgh h HIS 159 N 0.88 0.08 0.00 1.57 3.86 -1.33 -3.18 115.15 117.02 2hgh h HIS 159 Ca 0.23 -0.04 -0.10 0.00 -1.16 0.00 0.00 60.37 59.29 2hgh h HIS 159 Cb 0.06 -0.01 -0.01 0.00 1.06 0.00 0.00 27.41 28.51 2hgh h HIS 159 CO -0.00 0.90 -0.49 0.00 0.86 0.00 0.00 177.93 179.19 2hgh h ALA 160 N 1.09 1.09 0.00 2.45 0.00 -0.95 -3.50 119.26 119.43 2hgh h ALA 160 Ca -0.02 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.45 2hgh h ALA 160 Cb 1.53 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.24 2hgh h ALA 160 CO 0.12 0.61 0.00 0.41 0.00 0.00 0.00 179.25 180.39 2hgh n GLY 161 N 0.05 0.43 2.88 0.00 0.00 -0.11 -4.94 105.19 103.51 2hgh n GLY 161 Ca -0.01 -1.86 -0.30 0.00 0.00 0.00 0.00 46.02 43.85 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 -2.01 2.86 0.30 1.61 1.51 0.11 -4.84 117.35 116.89 2hgh s TYR 162 Ca 0.00 -2.73 -0.24 0.00 -1.01 0.00 0.00 57.07 53.10 2hgh s TYR 162 Cb 0.00 -2.47 -0.09 0.00 -0.11 0.00 0.00 41.96 39.28 2hgh s TYR 162 CO 0.00 -0.84 0.87 -1.25 -1.11 0.00 0.00 175.55 173.23 2hgh s PRO 163 N 0.53 4.45 0.31 -1.71 0.04 -1.26 -1.14 135.00 136.22 2hgh s PRO 163 Ca 0.14 1.16 -0.28 0.00 0.04 0.00 0.00 61.00 62.05 2hgh s PRO 163 Cb -0.22 -2.77 -0.10 0.00 0.04 0.00 0.00 34.50 31.45 2hgh s PRO 163 CO -0.06 0.29 1.17 0.00 0.04 0.00 0.00 177.00 178.44 2hgh n LYS 165 N 0.89 0.00 0.26 0.00 2.85 -1.26 -4.77 118.16 116.12 2hgh n LYS 165 Ca 0.00 -0.55 0.13 0.00 -1.05 0.00 0.00 58.31 56.84 2hgh n LYS 165 Cb 0.44 -0.45 0.65 0.00 -0.65 0.00 0.00 35.03 35.02 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 -2.92 -1.58 1.79 -1.93 -3.44 116.57 108.50 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 1.08 0.00 -0.22 0.00 -1.58 0.00 0.00 32.23 31.51 2hgh h LYS 166 CO 0.00 0.12 -0.27 0.34 -1.08 0.00 0.00 179.45 178.57 2hgh s ASP 167 N -5.99 -0.29 0.45 0.86 2.15 -1.26 -5.05 116.67 107.53 2hgh s ASP 167 Ca -0.01 0.41 0.20 0.00 0.43 0.00 0.00 52.55 53.58 2hgh s ASP 167 Cb 0.11 0.52 1.07 0.00 -0.30 0.00 0.00 42.92 44.32 2hgh s ASP 167 CO 0.58 -0.30 1.94 -0.78 -0.17 0.00 0.00 175.17 176.44 2hgh h ASP 168 N 4.64 0.00 -0.52 -0.34 3.58 -1.96 -2.62 116.42 119.20 2hgh h ASP 168 Ca -0.28 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.15 2hgh h ASP 168 Cb 1.18 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.22 2hgh h ASP 168 CO 0.34 0.23 0.02 -1.20 -2.88 0.00 0.00 179.24 175.76 2hgh n SER 169 N -3.85 5.07 -4.35 2.28 7.64 -1.26 -4.87 113.62 114.27 2hgh n SER 169 Ca -0.02 -2.84 -0.32 0.00 1.01 0.00 0.00 58.87 56.71 2hgh n SER 169 Cb 0.32 -0.67 -0.15 0.00 -1.01 0.00 0.00 64.21 62.71 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 3.00 0.70 -4.78 0.00 7.64 -1.26 -4.79 113.62 114.13 2hgh n SER 171 Ca -0.18 -1.96 -0.41 0.00 1.01 0.00 0.00 58.87 57.33 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 -0.69 2.59 -0.10 1.43 2.19 -1.26 -4.81 117.98 117.32 2hgh s PHE 172 Ca 0.06 1.19 0.01 0.00 0.33 0.00 0.00 56.93 58.52 2hgh s PHE 172 Cb 0.06 -4.00 0.02 0.00 -1.31 0.00 0.00 43.02 37.78 2hgh s PHE 172 CO 0.01 -2.95 -0.10 0.08 1.83 0.00 0.00 175.22 174.08 2hgh s VAL 173 N -1.13 1.17 0.09 3.12 1.01 -1.26 -0.44 120.40 122.96 2hgh s VAL 173 Ca 0.53 -0.42 -0.20 0.00 0.00 0.00 0.00 61.98 61.90 2hgh s VAL 173 Cb -0.46 -1.12 -0.07 0.00 0.00 0.00 0.00 36.38 34.73 2hgh s VAL 173 CO 0.62 0.38 0.59 -0.83 0.00 0.00 0.00 175.10 175.87 2hgh s GLY 174 N 1.29 2.69 0.58 4.51 0.00 -0.30 -4.83 107.32 111.27 2hgh s GLY 174 Ca -0.02 0.06 0.37 0.00 0.00 0.00 0.00 44.72 45.13 2hgh s GLY 174 CO -0.04 0.49 2.08 1.70 0.00 0.00 0.00 173.10 177.33 2hgh h LYS 175 N 4.44 0.00 -3.72 2.90 3.64 -1.89 0.33 116.57 122.27 2hgh h LYS 175 Ca -0.49 0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 58.81 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 0.64 0.00 -0.26 0.95 -2.27 0.00 0.00 179.45 178.51 2hgh s THR 176 N -3.79 0.09 0.26 1.00 -4.23 -1.26 -4.69 115.64 103.02 2hgh s THR 176 Ca -0.00 -1.12 -0.03 0.00 -1.18 0.00 0.00 61.69 59.35 2hgh s THR 176 Cb 0.10 -1.54 0.26 0.00 1.34 0.00 0.00 72.50 72.66 2hgh s THR 176 CO 0.51 -0.40 1.87 -0.25 -0.54 0.00 0.00 174.62 175.81 2hgh h TRP 177 N 2.55 1.14 -0.47 3.99 -0.00 -1.94 -1.98 115.95 119.23 2hgh h TRP 177 Ca -0.32 0.03 0.04 0.00 -0.00 0.00 0.00 58.89 58.63 2hgh h TRP 177 Cb 1.23 -0.37 -0.04 0.00 -0.00 0.00 0.00 29.16 29.97 2hgh h TRP 177 CO 0.39 0.58 0.24 1.79 -0.00 0.00 0.00 178.44 181.45 2hgh h THR 178 N 1.12 0.97 -0.50 2.65 1.35 -1.98 -1.11 112.91 115.40 2hgh h THR 178 Ca 0.42 -0.16 -0.03 0.00 -0.55 0.00 0.00 66.41 66.08 2hgh h THR 178 Cb 0.18 0.45 -0.02 0.00 -1.73 0.00 0.00 68.15 67.02 2hgh h THR 178 CO -0.18 0.09 0.17 -0.07 -0.25 0.00 0.00 175.52 175.28 2hgh h LEU 179 N 0.48 0.68 -0.09 3.87 3.38 -1.76 0.20 115.31 122.07 2hgh h LEU 179 Ca 0.20 -0.09 -0.03 0.00 0.09 0.00 0.00 57.88 58.05 2hgh h LEU 179 Cb 0.10 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.68 2hgh h LEU 179 CO -0.14 0.64 -0.06 0.22 0.09 0.00 0.00 178.44 179.19 2hgh h TYR 180 N 0.73 0.23 -0.91 1.13 3.20 -1.19 -0.87 116.97 119.29 2hgh h TYR 180 Ca 0.17 -0.06 -0.01 0.00 3.14 0.00 0.00 58.73 61.97 2hgh h TYR 180 Cb 0.19 -0.05 -0.04 0.00 1.54 0.00 0.00 36.73 38.37 2hgh h TYR 180 CO 0.01 0.58 0.53 -0.07 -1.64 0.00 0.00 178.16 177.57 2hgh h LEU 181 N -0.19 1.10 -0.52 2.82 3.38 -0.85 0.13 115.31 121.18 2hgh h LEU 181 Ca 0.02 -0.08 -0.04 0.00 0.09 0.00 0.00 57.88 57.87 2hgh h LEU 181 Cb 0.53 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 2hgh h LEU 181 CO 0.02 0.86 0.16 0.50 0.09 0.00 0.00 178.44 180.07 2hgh h LYS 182 N 1.26 0.81 -0.64 1.13 3.11 -0.59 -0.81 116.57 120.83 2hgh h LYS 182 Ca 0.32 -0.17 -0.02 0.00 -2.81 0.00 0.00 60.65 57.97 2hgh h LYS 182 Cb -0.03 -0.12 -0.03 0.00 -1.00 0.00 0.00 32.23 31.06 2hgh h LYS 182 CO -0.06 0.74 0.33 1.25 -2.81 0.00 0.00 179.45 178.90 2hgh h HIS 183 N 0.71 0.90 -0.41 1.91 2.76 -0.45 -2.42 115.15 118.14 2hgh h HIS 183 Ca 0.17 -0.03 -0.02 0.00 -2.20 0.00 0.00 60.37 58.29 2hgh h HIS 183 Cb 0.27 -0.28 -0.02 0.00 1.55 0.00 0.00 27.41 28.93 2hgh h HIS 183 CO 0.02 0.66 0.18 0.28 -1.30 0.00 0.00 177.93 177.76 2hgh h VAL 184 N 0.87 1.19 -0.14 5.26 2.07 -0.52 0.45 116.25 125.43 2hgh h VAL 184 Ca 0.22 -0.56 -0.04 0.00 0.82 0.00 0.00 66.70 67.15 2hgh h VAL 184 Cb 0.08 0.79 -0.01 0.00 -1.52 0.00 0.00 31.29 30.63 2hgh h VAL 184 CO -0.03 0.21 -0.08 0.00 0.02 0.00 0.00 177.57 177.68 2hgh h ALA 185 N 1.03 1.61 0.01 1.67 0.00 -0.98 0.52 119.26 123.12 2hgh h ALA 185 Ca 0.14 -0.16 -0.29 0.00 0.00 0.00 0.00 54.91 54.60 2hgh h ALA 185 Cb 0.16 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 2hgh h ALA 185 CO -0.01 0.29 -1.68 1.49 0.00 0.00 0.00 179.25 179.33 2hgh h GLU 186 N 0.20 0.03 0.00 0.00 4.81 -1.09 -3.32 114.58 115.20 2hgh h GLU 186 Ca 0.04 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 2hgh h GLU 186 Cb 0.28 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.68 2hgh h GLU 186 CO 0.01 0.61 -1.47 0.00 -0.73 0.00 0.00 179.01 177.44 2hgh n HIS 188 N -1.86 0.00 -4.14 0.00 8.25 0.14 -5.04 115.22 112.56 2hgh n HIS 188 Ca -0.02 -0.19 -0.13 0.00 -0.26 0.00 0.00 57.72 57.12 2hgh n HIS 188 Cb 0.27 -0.02 -0.07 0.00 1.12 0.00 0.00 29.99 31.29 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 1.50 0.00 -0.41 -0.21 -0.96 -4.95 119.66 114.25 2hgh s GLN 189 Ca 0.00 -1.63 0.09 0.00 0.02 0.00 0.00 55.36 53.84 2hgh s GLN 189 Cb 0.00 0.36 0.53 0.00 1.00 0.00 0.00 33.01 34.89 2hgh s GLN 189 CO 0.00 -0.57 0.98 -3.47 -2.12 0.00 0.00 175.29 170.11