#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 -0.20 -4.93 117.35 117.80 2hgh s TYR 105 Ca 0.00 -0.51 0.02 0.00 -1.01 0.00 0.00 57.07 55.57 2hgh s TYR 105 Cb 0.00 -2.07 -0.03 0.00 -0.11 0.00 0.00 41.96 39.75 2hgh s TYR 105 CO 0.00 -0.26 -0.10 0.08 -1.11 0.00 0.00 175.55 174.16 2hgh s VAL 106 N 1.00 3.43 -0.04 0.71 1.01 -1.26 -0.26 120.40 124.99 2hgh s VAL 106 Ca 0.01 -0.58 -0.30 0.00 0.00 0.00 0.00 61.98 61.12 2hgh s VAL 106 Cb -0.14 -2.39 -0.03 0.00 0.00 0.00 0.00 36.38 33.82 2hgh s VAL 106 CO 0.01 0.59 1.09 0.00 0.00 0.00 0.00 175.10 176.79 2hgh n HIS 108 N 4.67 1.35 -1.47 0.00 8.25 -1.26 -2.48 115.22 124.29 2hgh n HIS 108 Ca 0.09 -1.17 -0.35 0.00 -0.26 0.00 0.00 57.72 56.03 2hgh n HIS 108 Cb 0.48 -0.46 0.09 0.00 1.12 0.00 0.00 29.99 31.22 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 2.03 -0.18 4.41 2.19 -1.26 -4.83 117.98 117.34 2hgh s PHE 109 Ca 0.46 1.58 -0.32 0.00 0.33 0.00 0.00 56.93 58.98 2hgh s PHE 109 Cb 0.38 -3.52 -0.09 0.00 -1.31 0.00 0.00 43.02 38.48 2hgh s PHE 109 CO 0.07 -2.71 2.07 -1.91 1.83 0.00 0.00 175.22 174.57 2hgh n GLU 110 N -2.60 1.91 -1.16 10.12 2.13 -1.26 -1.37 120.64 128.42 2hgh n GLU 110 Ca 0.14 0.62 -0.05 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 29.38 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 8.99 -4.42 0.00 4.31 2.85 -1.26 -4.94 115.26 120.80 2hgh n ASN 111 Ca 0.29 0.13 0.00 0.00 -0.11 0.00 0.00 54.58 54.89 2hgh n ASN 111 Cb 0.33 -2.39 0.00 0.00 1.24 0.00 0.00 39.78 38.96 2hgh n ASN 111 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2hgh n GLY 113 N 2.48 0.61 3.77 0.00 0.00 -1.03 -5.01 105.19 105.99 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 -1.57 4.17 -0.03 1.61 2.20 -1.25 -4.78 119.74 120.09 2hgh s LYS 114 Ca 0.00 1.84 0.06 0.00 -0.36 0.00 0.00 55.97 57.51 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 -0.22 -0.21 0.00 -0.36 0.00 0.00 175.35 174.56 2hgh s ALA 115 N -1.38 1.82 0.15 3.13 0.00 -1.26 -0.21 121.76 124.01 2hgh s ALA 115 Ca 0.55 -0.90 0.08 0.00 0.00 0.00 0.00 51.96 51.69 2hgh s ALA 115 Cb -0.31 -0.53 -0.04 0.00 0.00 0.00 0.00 23.12 22.25 2hgh s ALA 115 CO 0.39 0.39 -0.17 -0.06 0.00 0.00 0.00 175.76 176.31 2hgh s PHE 116 N -0.27 1.71 0.22 0.00 0.40 0.64 -4.97 117.98 115.70 2hgh s PHE 116 Ca 0.02 -0.49 -0.05 0.00 -0.60 0.00 0.00 56.93 55.81 2hgh s PHE 116 Cb -0.11 -0.87 0.19 0.00 0.51 0.00 0.00 43.02 42.75 2hgh s PHE 116 CO 0.01 0.27 1.66 -0.22 0.70 0.00 0.00 175.22 177.64 2hgh h LYS 117 N 3.38 0.84 -4.59 0.44 3.64 -1.97 -0.51 116.57 117.81 2hgh h LYS 117 Ca -0.42 -0.30 -0.29 0.00 -1.27 0.00 0.00 60.65 58.37 2hgh h LYS 117 Cb 1.20 -0.06 -0.22 0.00 -0.41 0.00 0.00 32.23 32.74 2hgh h LYS 117 CO 0.50 0.93 -0.74 0.15 -2.27 0.00 0.00 179.45 178.02 2hgh s LYS 118 N -4.77 0.54 0.41 1.90 -0.14 -1.26 -4.57 119.74 111.85 2hgh s LYS 118 Ca -0.10 -0.71 0.16 0.00 -1.36 0.00 0.00 55.97 53.95 2hgh s LYS 118 Cb 0.13 -0.34 0.90 0.00 -1.68 0.00 0.00 37.83 36.85 2hgh s LYS 118 CO 0.84 0.07 1.90 1.12 -0.76 0.00 0.00 175.35 178.51 2hgh h HIS 119 N 4.64 0.00 -0.03 3.18 2.07 -1.93 -1.63 115.15 121.45 2hgh h HIS 119 Ca -0.35 0.00 -0.05 0.00 -2.85 0.00 0.00 60.37 57.11 2hgh h HIS 119 Cb 1.20 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 31.17 2hgh h HIS 119 CO 0.62 0.28 -0.23 -2.95 -3.07 0.00 0.00 177.93 172.59 2hgh h ASN 120 N 0.00 0.05 0.03 3.10 7.08 -1.99 0.80 115.58 124.65 2hgh h ASN 120 Ca -0.00 -0.01 -0.20 0.00 -3.08 0.00 0.00 56.30 53.01 2hgh h ASN 120 Cb 0.53 -0.01 0.00 0.00 -2.08 0.00 0.00 38.32 36.76 2hgh h ASN 120 CO 0.04 0.28 -0.73 1.56 -2.08 0.00 0.00 177.43 176.50 2hgh h GLN 121 N 0.05 0.62 -0.25 4.14 4.20 -1.73 -0.96 115.11 121.17 2hgh h GLN 121 Ca 0.01 -0.49 -0.01 0.00 0.06 0.00 0.00 58.65 58.22 2hgh h GLN 121 Cb 0.43 0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.30 2hgh h GLN 121 CO 0.03 1.11 0.13 1.25 -0.67 0.00 0.00 178.83 180.68 2hgh h LEU 122 N 0.43 0.32 -1.06 1.46 5.85 -1.05 -0.60 115.31 120.66 2hgh h LEU 122 Ca -0.04 -0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.59 2hgh h LEU 122 Cb 1.33 -0.08 -0.05 0.00 0.37 0.00 0.00 40.66 42.23 2hgh h LEU 122 CO 0.14 0.34 0.60 0.11 -0.34 0.00 0.00 178.44 179.28 2hgh h LYS 123 N 0.29 1.23 -0.90 1.25 1.57 -0.85 -0.97 116.57 118.19 2hgh h LYS 123 Ca 0.09 -0.09 0.02 0.00 -1.87 0.00 0.00 60.65 58.81 2hgh h LYS 123 Cb 0.09 -0.27 -0.05 0.00 0.08 0.00 0.00 32.23 32.08 2hgh h LYS 123 CO -0.01 0.83 0.59 0.28 -0.57 0.00 0.00 179.45 180.56 2hgh h VAL 124 N 1.26 1.18 -0.20 0.50 2.07 -0.78 -1.87 116.25 118.41 2hgh h VAL 124 Ca 0.34 -0.40 -0.08 0.00 0.82 0.00 0.00 66.70 67.38 2hgh h VAL 124 Cb -0.12 -0.08 -0.00 0.00 -1.52 0.00 0.00 31.29 29.57 2hgh h VAL 124 CO -0.07 0.21 -0.18 -0.74 0.02 0.00 0.00 177.57 176.81 2hgh h HIS 125 N 1.16 0.57 -0.11 1.57 -0.00 -0.26 -3.21 115.15 114.87 2hgh h HIS 125 Ca 0.35 -0.17 -0.07 0.00 -0.00 0.00 0.00 60.37 60.48 2hgh h HIS 125 Cb -0.05 -0.12 -0.01 0.00 -0.00 0.00 0.00 27.41 27.22 2hgh h HIS 125 CO -0.01 0.82 -0.26 1.96 -0.00 0.00 0.00 177.93 180.44 2hgh h GLN 126 N 0.16 0.20 -0.45 5.26 4.20 -1.02 -1.71 115.11 121.75 2hgh h GLN 126 Ca 0.03 -0.07 0.13 0.00 0.06 0.00 0.00 58.65 58.81 2hgh h GLN 126 Cb 0.72 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.46 2hgh h GLN 126 CO 0.05 0.46 0.35 0.27 -0.67 0.00 0.00 178.83 179.28 2hgh h PHE 127 N 0.18 0.00 -0.18 2.96 -5.15 -1.34 -0.62 116.94 112.79 2hgh h PHE 127 Ca 0.03 0.00 -0.04 0.00 -0.20 0.00 0.00 57.97 57.76 2hgh h PHE 127 Cb 0.57 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 36.73 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 0.36 -0.36 -0.68 0.87 -1.40 0.27 113.55 112.62 2hgh h SER 128 Ca 0.21 -0.38 -0.06 0.00 -1.23 0.00 0.00 61.79 60.33 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 0.66 0.01 0.45 -0.53 0.00 0.00 176.83 177.42 2hgh h HIS 129 N 0.06 0.76 0.00 2.24 3.86 -1.23 -2.54 115.15 118.30 2hgh h HIS 129 Ca 0.04 -0.10 0.00 0.00 -1.16 0.00 0.00 60.37 59.16 2hgh h HIS 129 Cb 0.51 -0.21 0.00 0.00 1.06 0.00 0.00 27.41 28.77 2hgh h HIS 129 CO 0.06 0.71 -0.22 1.79 0.86 0.00 0.00 177.93 181.12 2hgh h THR 130 N 0.68 0.00 -3.47 2.45 1.35 -1.15 -3.48 112.91 109.29 2hgh h THR 130 Ca 0.14 -0.88 -0.35 0.00 -0.55 0.00 0.00 66.41 64.76 2hgh h THR 130 Cb 0.41 1.77 -0.01 0.00 -1.73 0.00 0.00 68.15 68.58 2hgh h THR 130 CO 0.02 0.00 -0.45 1.67 -0.25 0.00 0.00 175.52 176.50 2hgh n GLN 131 N -2.83 -2.11 -4.27 4.72 -0.06 0.94 -5.00 117.38 108.77 2hgh n GLN 131 Ca 0.03 0.83 -0.18 0.00 -2.00 0.00 0.00 57.00 55.69 2hgh n GLN 131 Cb 0.51 -5.49 -0.11 0.00 -4.06 0.00 0.00 30.24 21.10 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 -5.10 1.10 -0.15 3.69 1.03 -1.07 -5.04 119.66 114.12 2hgh s GLN 132 Ca 0.03 -1.34 -0.13 0.00 0.04 0.00 0.00 55.36 53.95 2hgh s GLN 132 Cb -0.01 -0.92 -0.05 0.00 0.03 0.00 0.00 33.01 32.06 2hgh s GLN 132 CO 0.03 0.17 0.27 -0.51 -2.54 0.00 0.00 175.29 172.71 2hgh s LEU 133 N -2.73 4.26 0.06 2.60 1.43 -1.26 -4.60 118.68 118.44 2hgh s LEU 133 Ca 0.13 0.50 -0.11 0.00 -1.03 0.00 0.00 54.13 53.62 2hgh s LEU 133 Cb -0.03 -2.33 -0.29 0.00 0.03 0.00 0.00 46.19 43.57 2hgh s LEU 133 CO 0.03 0.14 1.10 1.55 0.23 0.00 0.00 176.35 179.41 2hgh h PRO 134 N 6.46 0.46 -4.43 1.29 0.13 -1.87 -3.43 132.00 130.61 2hgh h PRO 134 Ca -0.43 -0.71 -0.73 0.00 -0.87 0.00 0.00 66.00 63.27 2hgh h PRO 134 Cb 1.17 0.25 -0.22 0.00 0.13 0.00 0.00 31.00 32.33 2hgh h PRO 134 CO 0.74 1.32 0.09 0.71 -0.23 0.00 0.00 178.00 180.63 2hgh s TYR 135 N -2.78 3.19 -0.06 1.56 2.02 -1.09 -4.97 117.35 115.22 2hgh s TYR 135 Ca -0.07 -1.25 -0.05 0.00 -0.37 0.00 0.00 57.07 55.33 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 0.92 -1.19 0.15 -1.83 -1.57 0.00 0.00 175.55 172.02 2hgh s GLU 136 N 2.00 3.41 -0.15 -0.62 -1.05 -1.26 0.06 118.70 121.10 2hgh s GLU 136 Ca 0.12 -0.24 -0.29 0.00 -0.15 0.00 0.00 54.97 54.41 2hgh s GLU 136 Cb -0.22 -3.12 -0.01 0.00 -0.44 0.00 0.00 34.13 30.33 2hgh s GLU 136 CO 0.02 0.73 1.22 0.00 0.95 0.00 0.00 175.26 178.17 2hgh n PRO 138 N 6.24 1.78 -2.01 0.00 -0.04 -1.26 -4.52 135.00 135.20 2hgh n PRO 138 Ca 0.13 -1.17 -0.38 0.00 -0.04 0.00 0.00 63.50 62.04 2hgh n PRO 138 Cb 0.45 -1.39 0.02 0.00 -0.04 0.00 0.00 33.50 32.54 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 2.56 -0.07 0.54 2.46 -1.26 -4.92 115.29 112.83 2hgh s HIS 139 Ca 0.32 1.45 -0.29 0.00 0.47 0.00 0.00 55.06 57.01 2hgh s HIS 139 Cb 0.17 -3.60 -0.06 0.00 -0.13 0.00 0.00 32.58 28.97 2hgh s HIS 139 CO 0.26 -2.24 1.75 -1.21 -2.47 0.00 0.00 174.74 170.83 2hgh s GLU 140 N -2.82 4.03 0.00 2.88 2.02 -1.26 -2.01 118.70 121.54 2hgh s GLU 140 Ca 0.68 2.18 0.00 0.00 0.02 0.00 0.00 54.97 57.85 2hgh s GLU 140 Cb -0.35 -4.06 0.00 0.00 0.10 0.00 0.00 34.13 29.82 2hgh s GLU 140 CO 0.41 -1.03 0.00 0.41 0.02 0.00 0.00 175.26 175.07 2hgh n GLY 141 N 4.42 0.64 3.70 -1.39 0.00 -1.26 -5.07 105.19 106.23 2hgh n GLY 141 Ca 0.19 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.35 0.00 -4.76 0.00 2.03 -1.26 -4.74 116.55 107.46 2hgh n ASP 143 Ca -0.09 -1.21 -0.38 0.00 0.52 0.00 0.00 54.79 53.63 2hgh n ASP 143 Cb 0.56 -0.04 0.00 0.00 -0.72 0.00 0.00 41.12 40.92 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 3.71 0.08 -0.67 -0.14 -1.26 -4.85 119.74 116.61 2hgh s LYS 144 Ca 0.00 2.04 0.04 0.00 -1.36 0.00 0.00 55.97 56.69 2hgh s LYS 144 Cb 0.00 -2.53 -0.03 0.00 -1.68 0.00 0.00 37.83 33.59 2hgh s LYS 144 CO 0.00 -0.66 -0.12 1.03 -0.76 0.00 0.00 175.35 174.83 2hgh s ARG 145 N -2.54 0.81 0.12 1.68 0.52 -1.26 -0.84 118.95 117.44 2hgh s ARG 145 Ca 0.62 -1.01 0.03 0.00 -0.52 0.00 0.00 55.73 54.85 2hgh s ARG 145 Cb -0.35 -0.69 -0.04 0.00 0.52 0.00 0.00 34.95 34.39 2hgh s ARG 145 CO 0.44 0.14 -0.08 -0.06 0.02 0.00 0.00 175.30 175.76 2hgh s PHE 146 N -1.67 1.06 0.03 -0.53 0.08 0.11 -4.98 117.98 112.08 2hgh s PHE 146 Ca -0.00 -0.85 0.10 0.00 0.12 0.00 0.00 56.93 56.30 2hgh s PHE 146 Cb -0.08 -0.58 -0.18 0.00 -0.57 0.00 0.00 43.02 41.61 2hgh s PHE 146 CO 0.02 -0.05 1.10 0.66 -0.10 0.00 0.00 175.22 176.84 2hgh h SER 147 N 2.87 0.00 -4.05 1.36 4.64 -1.96 -2.88 113.55 113.53 2hgh h SER 147 Ca -0.36 0.00 -0.40 0.00 -0.47 0.00 0.00 61.79 60.56 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 0.64 0.92 -0.75 -0.76 -0.87 0.00 0.00 176.83 176.01 2hgh s LEU 148 N -6.45 2.41 0.25 5.97 2.01 -1.26 -4.76 118.68 116.85 2hgh s LEU 148 Ca -0.00 -0.82 -0.02 0.00 0.01 0.00 0.00 54.13 53.29 2hgh s LEU 148 Cb 0.09 -0.52 0.30 0.00 0.01 0.00 0.00 46.19 46.06 2hgh s LEU 148 CO 0.81 -0.16 1.71 1.55 1.01 0.00 0.00 176.35 181.27 2hgh h PRO 149 N 3.47 0.74 -0.08 1.29 0.13 -1.94 -2.12 132.00 133.49 2hgh h PRO 149 Ca -0.39 -0.24 -0.07 0.00 -0.87 0.00 0.00 66.00 64.43 2hgh h PRO 149 Cb 1.20 -0.06 -0.01 0.00 0.13 0.00 0.00 31.00 32.25 2hgh h PRO 149 CO 0.51 0.83 -0.25 0.77 -0.23 0.00 0.00 178.00 179.63 2hgh h SER 150 N 0.67 0.14 -0.15 1.44 0.02 -1.98 0.13 113.55 113.83 2hgh h SER 150 Ca 0.12 -0.04 -0.20 0.00 -0.84 0.00 0.00 61.79 60.82 2hgh h SER 150 Cb 0.57 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.08 2hgh h SER 150 CO 0.04 0.40 -0.68 -0.09 -1.14 0.00 0.00 176.83 175.36 2hgh h ARG 151 N 0.14 0.77 -0.32 3.45 9.65 -1.86 -0.17 114.38 126.03 2hgh h ARG 151 Ca 0.02 -0.57 -0.05 0.00 -1.10 0.00 0.00 59.98 58.28 2hgh h ARG 151 Cb 0.53 0.10 -0.01 0.00 -1.39 0.00 0.00 29.97 29.19 2hgh h ARG 151 CO 0.04 1.19 0.00 1.25 2.80 0.00 0.00 179.97 185.25 2hgh h LEU 152 N 0.56 0.55 -0.82 3.80 5.85 -1.15 -0.50 115.31 123.59 2hgh h LEU 152 Ca -0.02 -0.30 0.09 0.00 0.84 0.00 0.00 57.88 58.48 2hgh h LEU 152 Cb 1.29 -0.15 -0.07 0.00 0.37 0.00 0.00 40.66 42.10 2hgh h LEU 152 CO 0.14 0.72 0.48 0.50 -0.34 0.00 0.00 178.44 179.94 2hgh h LYS 153 N 0.37 0.80 -0.50 1.25 3.64 -0.67 0.11 116.57 121.57 2hgh h LYS 153 Ca 0.09 -0.05 -0.07 0.00 -1.27 0.00 0.00 60.65 59.35 2hgh h LYS 153 Cb 0.44 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 32.06 2hgh h LYS 153 CO 0.02 0.53 0.03 0.00 -2.27 0.00 0.00 179.45 177.75 2hgh h ARG 154 N 0.82 0.87 -0.69 1.90 2.47 -0.86 -2.75 114.38 116.13 2hgh h ARG 154 Ca 0.39 -0.26 0.00 0.00 -1.26 0.00 0.00 59.98 58.85 2hgh h ARG 154 Cb 0.32 -0.09 -0.03 0.00 -1.65 0.00 0.00 29.97 28.52 2hgh h ARG 154 CO -0.23 0.89 0.44 1.25 0.56 0.00 0.00 179.97 182.88 2hgh h HIS 155 N 0.73 0.88 -0.26 3.04 2.76 -0.11 -1.75 115.15 120.44 2hgh h HIS 155 Ca 0.15 0.01 0.04 0.00 -2.20 0.00 0.00 60.37 58.37 2hgh h HIS 155 Cb 0.48 -0.30 -0.01 0.00 1.55 0.00 0.00 27.41 29.13 2hgh h HIS 155 CO 0.04 0.57 0.18 1.49 -1.30 0.00 0.00 177.93 178.90 2hgh h GLU 156 N 0.94 0.19 -0.01 5.26 4.81 -0.51 0.38 114.58 125.64 2hgh h GLU 156 Ca 0.25 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.47 2hgh h GLU 156 Cb -0.08 -0.04 -0.00 0.00 0.63 0.00 0.00 28.75 29.25 2hgh h GLU 156 CO -0.05 0.13 0.01 -0.22 -0.73 0.00 0.00 179.01 178.15 2hgh h LYS 157 N 0.20 0.00 -0.82 1.92 3.64 -1.26 -1.16 116.57 119.08 2hgh h LYS 157 Ca 0.11 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 -0.04 0.00 -0.41 0.00 0.00 32.23 31.99 2hgh h LYS 157 CO -0.02 0.00 0.44 0.28 -2.27 0.00 0.00 179.45 177.88 2hgh h VAL 158 N 0.00 1.24 0.00 2.00 2.07 -1.01 0.24 116.25 120.80 2hgh h VAL 158 Ca 0.01 -0.62 -0.18 0.00 0.82 0.00 0.00 66.70 66.72 2hgh h VAL 158 Cb 0.03 0.16 -0.02 0.00 -1.52 0.00 0.00 31.29 29.94 2hgh h VAL 158 CO -0.00 0.28 -0.85 0.45 0.02 0.00 0.00 177.57 177.47 2hgh h HIS 159 N 1.14 0.02 0.00 1.57 3.86 -1.35 -3.12 115.15 117.27 2hgh h HIS 159 Ca 0.29 -0.01 -0.12 0.00 -1.16 0.00 0.00 60.37 59.36 2hgh h HIS 159 Cb 0.05 -0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.50 2hgh h HIS 159 CO 0.01 0.86 -0.59 0.00 0.86 0.00 0.00 177.93 179.06 2hgh h ALA 160 N 1.14 0.93 0.00 2.45 0.00 -0.93 -3.50 119.26 119.35 2hgh h ALA 160 Ca -0.01 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.36 2hgh h ALA 160 Cb 1.50 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.20 2hgh h ALA 160 CO 0.11 0.74 0.00 0.41 0.00 0.00 0.00 179.25 180.51 2hgh n GLY 161 N 0.35 -0.58 2.88 0.00 0.00 0.82 -4.90 105.19 103.76 2hgh n GLY 161 Ca -0.01 -1.73 -0.30 0.00 0.00 0.00 0.00 46.02 43.98 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 -1.64 2.85 0.25 1.61 1.51 0.54 -4.85 117.35 117.63 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 -2.46 -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 0.54 4.81 0.39 -1.71 0.04 -1.26 -0.84 135.00 136.97 2hgh s PRO 163 Ca 0.14 1.49 -0.26 0.00 0.04 0.00 0.00 61.00 62.41 2hgh s PRO 163 Cb -0.22 -3.21 -0.09 0.00 0.04 0.00 0.00 34.50 31.02 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 0.23 0.00 0.26 0.00 2.85 -1.26 -4.79 118.16 115.45 2hgh n LYS 165 Ca 0.03 -0.54 0.14 0.00 -1.05 0.00 0.00 58.31 56.89 2hgh n LYS 165 Cb 0.46 -0.44 0.69 0.00 -0.65 0.00 0.00 35.03 35.09 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 -3.04 -1.58 1.79 -1.99 -3.43 116.57 108.32 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 1.08 0.00 -0.23 0.00 -1.58 0.00 0.00 32.23 31.50 2hgh h LYS 166 CO 0.00 0.12 -0.34 0.34 -1.08 0.00 0.00 179.45 178.49 2hgh s ASP 167 N -6.00 -0.25 0.46 0.86 2.15 -1.26 -5.05 116.67 107.57 2hgh s ASP 167 Ca -0.01 0.38 0.19 0.00 0.43 0.00 0.00 52.55 53.54 2hgh s ASP 167 Cb 0.12 0.49 1.11 0.00 -0.30 0.00 0.00 42.92 44.34 2hgh s ASP 167 CO 0.58 -0.24 1.99 -0.78 -0.17 0.00 0.00 175.17 176.55 2hgh h ASP 168 N 4.96 0.00 -0.53 -0.34 3.58 -1.96 -2.49 116.42 119.63 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 0.35 0.20 0.00 -1.20 -2.88 0.00 0.00 179.24 175.70 2hgh n SER 169 N -4.02 4.59 -4.94 2.28 7.64 -1.26 -4.91 113.62 113.00 2hgh n SER 169 Ca -0.02 -2.57 -0.25 0.00 1.01 0.00 0.00 58.87 57.04 2hgh n SER 169 Cb 0.27 -0.59 -0.01 0.00 -1.01 0.00 0.00 64.21 62.86 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 -1.63 0.00 -4.77 0.00 3.41 -1.26 -4.97 113.62 104.39 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 -0.12 7.33 2.19 -1.26 -4.85 117.98 124.16 2hgh s PHE 172 Ca 0.00 1.31 -0.00 0.00 0.33 0.00 0.00 56.93 58.57 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 -2.29 -0.09 0.08 1.83 0.00 0.00 175.22 174.75 2hgh s VAL 173 N -1.06 1.16 0.05 3.12 1.01 -1.26 -0.73 120.40 122.68 2hgh s VAL 173 Ca 0.51 -0.38 -0.25 0.00 0.00 0.00 0.00 61.98 61.86 2hgh s VAL 173 Cb -0.42 -1.15 -0.06 0.00 0.00 0.00 0.00 36.38 34.76 2hgh s VAL 173 CO 0.56 0.39 0.76 -0.83 0.00 0.00 0.00 175.10 175.98 2hgh s GLY 174 N 1.62 2.79 0.28 4.51 0.00 -0.02 -4.78 107.32 111.72 2hgh s GLY 174 Ca 0.04 0.28 0.23 0.00 0.00 0.00 0.00 44.72 45.27 2hgh s GLY 174 CO -0.08 1.08 1.70 0.28 0.00 0.00 0.00 173.10 176.08 2hgh n LYS 175 N 2.77 0.18 -3.77 2.90 5.02 -1.26 -0.34 118.16 123.68 2hgh n LYS 175 Ca -0.03 0.49 -0.10 0.00 -2.02 0.00 0.00 58.31 56.66 2hgh n LYS 175 Cb 0.50 -1.91 -0.06 0.00 -0.02 0.00 0.00 35.03 33.55 2hgh n LYS 175 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 2hgh s THR 176 N -3.39 0.09 0.26 -0.18 -4.23 -1.26 -4.66 115.64 102.26 2hgh s THR 176 Ca 0.02 -0.91 -0.04 0.00 -1.18 0.00 0.00 61.69 59.58 2hgh s THR 176 Cb 0.08 -1.37 0.27 0.00 1.34 0.00 0.00 72.50 72.82 2hgh s THR 176 CO 0.34 -0.40 1.90 -0.25 -0.54 0.00 0.00 174.62 175.67 2hgh h TRP 177 N 2.50 1.23 -0.40 3.99 -0.00 -1.95 -2.07 115.95 119.24 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 1.23 -0.41 -0.04 0.00 -0.00 0.00 0.00 29.16 29.95 2hgh h TRP 177 CO 0.37 0.68 0.17 1.79 -0.00 0.00 0.00 178.44 181.44 2hgh h THR 178 N 1.24 0.91 -0.33 2.65 1.35 -1.98 -1.63 112.91 115.12 2hgh h THR 178 Ca 0.41 -0.12 -0.03 0.00 -0.55 0.00 0.00 66.41 66.13 2hgh h THR 178 Cb 0.06 0.54 -0.02 0.00 -1.73 0.00 0.00 68.15 67.01 2hgh h THR 178 CO -0.14 0.06 0.09 -0.07 -0.25 0.00 0.00 175.52 175.21 2hgh h LEU 179 N 0.34 0.43 -0.07 3.87 3.38 -1.77 0.18 115.31 121.68 2hgh h LEU 179 Ca 0.18 -0.05 -0.03 0.00 0.09 0.00 0.00 57.88 58.07 2hgh h LEU 179 Cb 0.14 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 2hgh h LEU 179 CO -0.16 0.43 -0.08 0.22 0.09 0.00 0.00 178.44 178.94 2hgh h TYR 180 N 0.47 0.21 -0.80 1.13 3.20 -1.25 -0.59 116.97 119.33 2hgh h TYR 180 Ca 0.11 -0.06 0.01 0.00 3.14 0.00 0.00 58.73 61.93 2hgh h TYR 180 Cb 0.17 -0.04 -0.04 0.00 1.54 0.00 0.00 36.73 38.35 2hgh h TYR 180 CO 0.01 0.63 0.53 -0.07 -1.64 0.00 0.00 178.16 177.61 2hgh h LEU 181 N -0.28 0.92 -0.64 2.82 3.38 -0.76 0.05 115.31 120.81 2hgh h LEU 181 Ca 0.01 -0.03 -0.10 0.00 0.09 0.00 0.00 57.88 57.85 2hgh h LEU 181 Cb 0.60 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 2hgh h LEU 181 CO 0.02 0.67 -0.06 0.11 0.09 0.00 0.00 178.44 179.27 2hgh h LYS 182 N 1.09 1.01 -0.77 1.13 1.57 -0.69 -2.62 116.57 117.29 2hgh h LYS 182 Ca 0.29 -0.34 -0.02 0.00 -1.87 0.00 0.00 60.65 58.71 2hgh h LYS 182 Cb -0.12 -0.08 -0.04 0.00 0.08 0.00 0.00 32.23 32.07 2hgh h LYS 182 CO -0.06 1.02 0.40 1.25 -0.57 0.00 0.00 179.45 181.49 2hgh h HIS 183 N 0.91 1.07 -0.45 -1.35 2.76 -0.41 -2.83 115.15 114.86 2hgh h HIS 183 Ca 0.15 -0.04 -0.01 0.00 -2.20 0.00 0.00 60.37 58.28 2hgh h HIS 183 Cb 0.61 -0.34 -0.02 0.00 1.55 0.00 0.00 27.41 29.21 2hgh h HIS 183 CO 0.04 0.77 0.24 0.28 -1.30 0.00 0.00 177.93 177.96 2hgh h VAL 184 N 1.07 1.16 -0.15 5.26 2.07 -0.83 0.88 116.25 125.71 2hgh h VAL 184 Ca 0.27 -0.41 -0.04 0.00 0.82 0.00 0.00 66.70 67.34 2hgh h VAL 184 Cb 0.07 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 30.45 2hgh h VAL 184 CO -0.04 0.17 -0.07 0.00 0.02 0.00 0.00 177.57 177.65 2hgh h ALA 185 N 1.09 1.60 0.13 1.67 0.00 -1.28 0.72 119.26 123.20 2hgh h ALA 185 Ca 0.16 -0.16 -0.36 0.00 0.00 0.00 0.00 54.91 54.55 2hgh h ALA 185 Cb 0.05 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 2hgh h ALA 185 CO -0.03 0.29 -1.92 0.93 0.00 0.00 0.00 179.25 178.53 2hgh h GLU 186 N 0.22 0.27 0.00 0.00 4.39 -1.25 -3.32 114.58 114.89 2hgh h GLU 186 Ca 0.05 -0.46 0.00 0.00 0.34 0.00 0.00 59.36 59.29 2hgh h GLU 186 Cb 0.28 0.17 0.00 0.00 -0.10 0.00 0.00 28.75 29.10 2hgh h GLU 186 CO 0.01 1.18 -1.87 0.00 -1.16 0.00 0.00 179.01 177.17 2hgh n HIS 188 N -2.18 1.55 0.02 0.00 8.25 0.24 -4.87 115.22 118.23 2hgh n HIS 188 Ca -0.03 -2.03 0.09 0.00 -0.26 0.00 0.00 57.72 55.49 2hgh n HIS 188 Cb 0.54 -0.26 0.52 0.00 1.12 0.00 0.00 29.99 31.91 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 2.33 0.34 0.00 -0.41 -0.00 -1.64 -3.45 115.11 112.27 2hgh h GLN 189 Ca 0.00 -0.02 0.00 0.00 -0.00 0.00 0.00 58.65 58.63 2hgh h GLN 189 Cb 1.38 -0.08 0.00 0.00 -0.00 0.00 0.00 27.48 28.78 2hgh h GLN 189 CO 0.33 0.22 0.00 -3.47 -0.00 0.00 0.00 178.83 175.91