#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 -0.06 1.12 1.51 -0.16 -4.94 117.35 117.84 2hgh s TYR 105 Ca 0.00 -0.53 0.02 0.00 -1.01 0.00 0.00 57.07 55.55 2hgh s TYR 105 Cb 0.00 -2.09 -0.03 0.00 -0.11 0.00 0.00 41.96 39.74 2hgh s TYR 105 CO 0.00 -0.29 -0.12 0.08 -1.11 0.00 0.00 175.55 174.12 2hgh s VAL 106 N 1.07 3.28 -0.03 0.71 1.01 -1.26 -0.24 120.40 124.94 2hgh s VAL 106 Ca 0.02 -0.64 -0.30 0.00 0.00 0.00 0.00 61.98 61.06 2hgh s VAL 106 Cb -0.14 -2.31 -0.03 0.00 0.00 0.00 0.00 36.38 33.89 2hgh s VAL 106 CO 0.01 0.59 1.08 0.00 0.00 0.00 0.00 175.10 176.78 2hgh n HIS 108 N 4.51 1.30 -1.43 0.00 8.25 -1.26 -2.52 115.22 124.08 2hgh n HIS 108 Ca 0.08 -1.20 -0.34 0.00 -0.26 0.00 0.00 57.72 56.00 2hgh n HIS 108 Cb 0.48 -0.45 0.09 0.00 1.12 0.00 0.00 29.99 31.23 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 -3.01 2.02 -0.18 4.41 2.19 -1.26 -4.83 117.98 117.32 2hgh s PHE 109 Ca 0.46 1.60 -0.32 0.00 0.33 0.00 0.00 56.93 58.99 2hgh s PHE 109 Cb 0.38 -3.50 -0.10 0.00 -1.31 0.00 0.00 43.02 38.50 2hgh s PHE 109 CO 0.07 -2.68 2.06 -1.91 1.83 0.00 0.00 175.22 174.60 2hgh n GLU 110 N -2.70 1.89 -1.16 10.12 2.13 -1.26 -1.37 120.64 128.28 2hgh n GLU 110 Ca 0.14 0.61 -0.06 0.00 0.66 0.00 0.00 57.16 58.51 2hgh n GLU 110 Cb 0.50 -2.79 -0.02 0.00 0.27 0.00 0.00 31.44 29.39 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 -4.94 115.26 123.07 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 -2.41 0.00 0.00 -0.53 0.00 0.00 39.78 37.17 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 2.41 0.65 3.77 0.00 0.00 -1.05 -5.01 105.19 105.97 2hgh n GLY 113 Ca 0.00 -0.34 -0.39 0.00 0.00 0.00 0.00 46.02 45.29 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 -1.71 4.14 -0.03 1.61 2.20 -1.25 -4.78 119.74 119.91 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 -2.77 -0.01 0.00 -1.51 0.00 0.00 37.83 33.54 2hgh s LYS 114 CO 0.00 -0.27 -0.21 0.00 -0.36 0.00 0.00 175.35 174.51 2hgh s ALA 115 N -1.35 1.81 0.11 3.13 0.00 -1.26 -0.27 121.76 123.94 2hgh s ALA 115 Ca 0.55 -0.89 0.08 0.00 0.00 0.00 0.00 51.96 51.69 2hgh s ALA 115 Cb -0.32 -0.52 -0.04 0.00 0.00 0.00 0.00 23.12 22.24 2hgh s ALA 115 CO 0.41 0.39 -0.19 -0.06 0.00 0.00 0.00 175.76 176.31 2hgh s PHE 116 N -0.27 1.69 0.33 0.00 0.40 0.67 -4.98 117.98 115.82 2hgh s PHE 116 Ca 0.02 -0.45 0.04 0.00 -0.60 0.00 0.00 56.93 55.94 2hgh s PHE 116 Cb -0.11 -0.91 0.57 0.00 0.51 0.00 0.00 43.02 43.09 2hgh s PHE 116 CO 0.01 0.21 1.85 -0.22 0.70 0.00 0.00 175.22 177.77 2hgh h LYS 117 N 3.88 0.52 -4.30 0.44 3.64 -1.97 -0.40 116.57 118.37 2hgh h LYS 117 Ca -0.44 -0.12 -0.23 0.00 -1.27 0.00 0.00 60.65 58.59 2hgh h LYS 117 Cb 1.19 -0.07 -0.21 0.00 -0.41 0.00 0.00 32.23 32.73 2hgh h LYS 117 CO 0.43 0.58 -0.72 0.15 -2.27 0.00 0.00 179.45 177.62 2hgh s LYS 118 N -4.89 0.43 0.45 1.90 -0.14 -1.26 -4.58 119.74 111.64 2hgh s LYS 118 Ca -0.07 -0.70 0.18 0.00 -1.36 0.00 0.00 55.97 54.01 2hgh s LYS 118 Cb 0.15 -0.11 1.04 0.00 -1.68 0.00 0.00 37.83 37.23 2hgh s LYS 118 CO 0.77 0.00 1.96 1.12 -0.76 0.00 0.00 175.35 178.45 2hgh h HIS 119 N 4.54 0.00 -0.36 3.18 2.07 -1.92 -2.20 115.15 120.46 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 1.20 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 31.17 2hgh h HIS 119 CO 0.65 0.22 0.03 -0.91 -3.07 0.00 0.00 177.93 174.85 2hgh h ASN 120 N 0.00 0.52 0.10 3.10 4.21 -1.99 0.18 115.58 121.70 2hgh h ASN 120 Ca -0.00 -0.09 -0.19 0.00 1.21 0.00 0.00 56.30 57.22 2hgh h ASN 120 Cb 0.43 -0.14 -0.00 0.00 -1.12 0.00 0.00 38.32 37.49 2hgh h ASN 120 CO 0.03 0.57 -0.72 1.56 -1.29 0.00 0.00 177.43 177.58 2hgh h GLN 121 N 0.54 0.55 -0.25 0.81 4.20 -1.84 -1.22 115.11 117.89 2hgh h GLN 121 Ca 0.12 -0.43 -0.01 0.00 0.06 0.00 0.00 58.65 58.39 2hgh h GLN 121 Cb 0.30 0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.15 2hgh h GLN 121 CO 0.01 1.06 0.13 1.25 -0.67 0.00 0.00 178.83 180.61 2hgh h LEU 122 N 0.38 0.32 -1.00 1.46 5.85 -1.06 0.43 115.31 121.70 2hgh h LEU 122 Ca -0.03 -0.10 0.01 0.00 0.84 0.00 0.00 57.88 58.61 2hgh h LEU 122 Cb 1.31 -0.08 -0.05 0.00 0.37 0.00 0.00 40.66 42.20 2hgh h LEU 122 CO 0.13 0.32 0.66 0.11 -0.34 0.00 0.00 178.44 179.33 2hgh h LYS 123 N 0.29 1.30 -0.85 1.25 1.57 -0.65 -0.76 116.57 118.72 2hgh h LYS 123 Ca 0.09 -0.08 -0.00 0.00 -1.87 0.00 0.00 60.65 58.79 2hgh h LYS 123 Cb 0.08 -0.29 -0.04 0.00 0.08 0.00 0.00 32.23 32.06 2hgh h LYS 123 CO -0.01 0.86 0.52 0.28 -0.57 0.00 0.00 179.45 180.52 2hgh h VAL 124 N 1.34 1.23 -0.23 0.50 2.07 -0.83 -2.39 116.25 117.95 2hgh h VAL 124 Ca 0.37 -0.51 -0.07 0.00 0.82 0.00 0.00 66.70 67.31 2hgh h VAL 124 Cb -0.13 0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 29.67 2hgh h VAL 124 CO -0.09 0.24 -0.13 -0.74 0.02 0.00 0.00 177.57 176.88 2hgh h HIS 125 N 1.17 0.57 -0.11 1.57 -0.00 -0.06 -3.18 115.15 115.10 2hgh h HIS 125 Ca 0.31 -0.15 -0.06 0.00 -0.00 0.00 0.00 60.37 60.46 2hgh h HIS 125 Cb -0.05 -0.13 -0.01 0.00 -0.00 0.00 0.00 27.41 27.22 2hgh h HIS 125 CO -0.00 0.78 -0.22 1.96 -0.00 0.00 0.00 177.93 180.45 2hgh h GLN 126 N 0.19 0.19 -0.45 5.26 4.20 -1.07 -1.58 115.11 121.85 2hgh h GLN 126 Ca 0.05 -0.06 0.13 0.00 0.06 0.00 0.00 58.65 58.83 2hgh h GLN 126 Cb 0.64 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.38 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 0.18 0.00 -0.17 2.96 -5.15 -1.40 -0.67 116.94 112.68 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 0.50 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 36.66 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 0.34 -0.38 -0.68 0.87 -1.37 0.24 113.55 112.57 2hgh h SER 128 Ca 0.22 -0.38 -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 0.65 0.04 0.45 -0.53 0.00 0.00 176.83 177.43 2hgh h HIS 129 N 0.03 0.77 0.00 2.24 3.86 -1.24 -2.51 115.15 118.30 2hgh h HIS 129 Ca 0.04 -0.09 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 28.76 2hgh h HIS 129 CO 0.06 0.70 -0.20 1.79 0.86 0.00 0.00 177.93 181.14 2hgh h THR 130 N 0.70 0.00 -3.87 2.45 1.35 -1.16 -3.48 112.91 108.90 2hgh h THR 130 Ca 0.15 -0.86 -0.34 0.00 -0.55 0.00 0.00 66.41 64.80 2hgh h THR 130 Cb 0.38 1.75 -0.01 0.00 -1.73 0.00 0.00 68.15 68.54 2hgh h THR 130 CO 0.01 0.00 -0.46 1.67 -0.25 0.00 0.00 175.52 176.49 2hgh n GLN 131 N -2.80 -2.64 -4.25 4.72 -0.06 0.82 -5.00 117.38 108.17 2hgh n GLN 131 Ca 0.04 0.77 -0.17 0.00 -2.00 0.00 0.00 57.00 55.63 2hgh n GLN 131 Cb 0.51 -5.45 -0.11 0.00 -4.06 0.00 0.00 30.24 21.13 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 -5.26 1.04 -0.12 3.69 1.03 -1.06 -5.04 119.66 113.93 2hgh s GLN 132 Ca 0.10 -1.29 -0.14 0.00 0.04 0.00 0.00 55.36 54.07 2hgh s GLN 132 Cb -0.05 -0.86 -0.05 0.00 0.03 0.00 0.00 33.01 32.08 2hgh s GLN 132 CO 0.12 0.16 0.32 -0.51 -2.54 0.00 0.00 175.29 172.84 2hgh s LEU 133 N -2.61 4.30 0.07 2.60 1.43 -1.26 -4.60 118.68 118.61 2hgh s LEU 133 Ca 0.11 0.62 -0.09 0.00 -1.03 0.00 0.00 54.13 53.74 2hgh s LEU 133 Cb -0.03 -2.42 -0.26 0.00 0.03 0.00 0.00 46.19 43.50 2hgh s LEU 133 CO 0.03 0.15 1.14 1.55 0.23 0.00 0.00 176.35 179.44 2hgh h PRO 134 N 6.21 0.42 -4.15 1.29 0.13 -1.88 -3.43 132.00 130.60 2hgh h PRO 134 Ca -0.44 -0.63 -0.76 0.00 -0.87 0.00 0.00 66.00 63.30 2hgh h PRO 134 Cb 1.18 0.22 -0.24 0.00 0.13 0.00 0.00 31.00 32.29 2hgh h PRO 134 CO 0.72 1.28 0.20 0.71 -0.23 0.00 0.00 178.00 180.67 2hgh s TYR 135 N -2.83 3.52 -0.03 1.56 2.02 -1.08 -4.98 117.35 115.53 2hgh s TYR 135 Ca -0.06 -1.72 -0.11 0.00 -0.37 0.00 0.00 57.07 54.81 2hgh s TYR 135 Cb 0.06 -3.92 -0.05 0.00 -0.40 0.00 0.00 41.96 37.66 2hgh s TYR 135 CO 0.90 -1.11 0.30 -2.00 -1.57 0.00 0.00 175.55 172.07 2hgh s GLU 136 N 1.00 3.70 -0.13 -0.62 2.12 -1.26 -0.05 118.70 123.45 2hgh s GLU 136 Ca 0.18 0.15 -0.29 0.00 0.36 0.00 0.00 54.97 55.37 2hgh s GLU 136 Cb -0.13 -3.18 -0.02 0.00 0.26 0.00 0.00 34.13 31.06 2hgh s GLU 136 CO -0.06 0.71 1.32 0.00 -0.54 0.00 0.00 175.26 176.68 2hgh n PRO 138 N 6.52 1.71 -1.88 0.00 -0.04 -1.26 -4.58 135.00 135.46 2hgh n PRO 138 Ca 0.14 -1.08 -0.39 0.00 -0.04 0.00 0.00 63.50 62.13 2hgh n PRO 138 Cb 0.45 -1.35 0.01 0.00 -0.04 0.00 0.00 33.50 32.57 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 -1.73 2.55 -0.50 0.54 2.46 -1.26 -4.89 115.29 112.46 2hgh s HIS 139 Ca 0.29 1.33 -0.27 0.00 0.47 0.00 0.00 55.06 56.88 2hgh s HIS 139 Cb 0.15 -3.82 -0.02 0.00 -0.13 0.00 0.00 32.58 28.76 2hgh s HIS 139 CO 0.23 -2.65 1.89 -1.21 -2.47 0.00 0.00 174.74 170.53 2hgh s GLU 140 N -2.46 2.82 0.00 2.88 2.02 -1.26 -1.98 118.70 120.72 2hgh s GLU 140 Ca 0.61 0.97 0.00 0.00 0.02 0.00 0.00 54.97 56.58 2hgh s GLU 140 Cb -0.41 -4.34 0.00 0.00 0.10 0.00 0.00 34.13 29.48 2hgh s GLU 140 CO 0.52 -2.48 0.00 0.41 0.02 0.00 0.00 175.26 173.73 2hgh n GLY 141 N 5.63 0.78 3.87 -1.39 0.00 -1.26 -5.11 105.19 107.70 2hgh n GLY 141 Ca 0.23 0.00 -0.23 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 -0.92 0.00 -4.77 0.00 5.75 -1.26 -4.79 116.55 110.56 2hgh n ASP 143 Ca -0.08 -1.06 -0.38 0.00 -0.01 0.00 0.00 54.79 53.26 2hgh n ASP 143 Cb 0.56 -0.01 -0.00 0.00 -1.03 0.00 0.00 41.12 40.64 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 3.80 0.07 0.11 3.01 -1.26 -4.89 119.74 120.57 2hgh s LYS 144 Ca 0.00 2.02 0.02 0.00 -1.01 0.00 0.00 55.97 57.00 2hgh s LYS 144 Cb 0.00 -2.58 -0.03 0.00 -1.01 0.00 0.00 37.83 34.21 2hgh s LYS 144 CO 0.00 -0.59 -0.08 1.03 0.51 0.00 0.00 175.35 176.22 2hgh s ARG 145 N -2.47 0.67 0.11 1.68 0.52 -1.26 -1.04 118.95 117.15 2hgh s ARG 145 Ca 0.61 -0.97 0.03 0.00 -0.52 0.00 0.00 55.73 54.87 2hgh s ARG 145 Cb -0.35 -0.34 -0.04 0.00 0.52 0.00 0.00 34.95 34.74 2hgh s ARG 145 CO 0.43 0.05 -0.08 -0.06 0.02 0.00 0.00 175.30 175.65 2hgh s PHE 146 N -2.09 1.02 -0.01 -0.53 0.40 0.93 -4.98 117.98 112.71 2hgh s PHE 146 Ca -0.02 -0.78 0.11 0.00 -0.60 0.00 0.00 56.93 55.64 2hgh s PHE 146 Cb -0.05 -0.56 -0.12 0.00 0.51 0.00 0.00 43.02 42.80 2hgh s PHE 146 CO -0.01 -0.05 1.22 0.66 0.70 0.00 0.00 175.22 177.74 2hgh h SER 147 N 3.17 0.00 -4.44 1.36 4.64 -1.97 -2.87 113.55 113.44 2hgh h SER 147 Ca -0.36 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 60.61 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 0.60 0.81 -0.75 -0.76 -0.87 0.00 0.00 176.83 175.86 2hgh s LEU 148 N -6.47 2.35 0.42 5.97 2.01 -1.26 -4.79 118.68 116.90 2hgh s LEU 148 Ca 0.01 -0.72 0.17 0.00 0.01 0.00 0.00 54.13 53.60 2hgh s LEU 148 Cb 0.09 -0.36 0.92 0.00 0.01 0.00 0.00 46.19 46.85 2hgh s LEU 148 CO 0.80 -0.19 1.90 1.55 1.01 0.00 0.00 176.35 181.41 2hgh h PRO 149 N 3.89 0.00 -0.44 1.29 0.13 -1.96 -2.52 132.00 132.40 2hgh h PRO 149 Ca -0.38 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.64 2hgh h PRO 149 Cb 1.19 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.31 2hgh h PRO 149 CO 0.47 0.28 -0.14 0.66 -0.23 0.00 0.00 178.00 179.04 2hgh h SER 150 N 0.00 0.82 0.01 1.44 4.64 -1.98 0.16 113.55 118.63 2hgh h SER 150 Ca -0.00 -0.27 -0.18 0.00 -0.47 0.00 0.00 61.79 60.87 2hgh h SER 150 Cb 0.55 -0.22 -0.00 0.00 -0.31 0.00 0.00 62.40 62.42 2hgh h SER 150 CO 0.04 0.97 -0.63 -0.09 -0.87 0.00 0.00 176.83 176.25 2hgh h ARG 151 N 0.73 0.61 -0.48 4.77 1.12 -1.90 -1.51 114.38 117.72 2hgh h ARG 151 Ca 0.12 -0.43 -0.03 0.00 -1.11 0.00 0.00 59.98 58.53 2hgh h ARG 151 Cb 0.65 0.07 -0.02 0.00 -0.01 0.00 0.00 29.97 30.65 2hgh h ARG 151 CO 0.05 1.04 0.17 1.25 -3.11 0.00 0.00 179.97 179.37 2hgh h LEU 152 N 0.45 0.68 -0.83 3.80 5.85 -1.33 -0.95 115.31 122.99 2hgh h LEU 152 Ca -0.01 -0.19 0.06 0.00 0.84 0.00 0.00 57.88 58.58 2hgh h LEU 152 Cb 1.20 -0.18 -0.06 0.00 0.37 0.00 0.00 40.66 41.99 2hgh h LEU 152 CO 0.12 0.69 0.51 0.50 -0.34 0.00 0.00 178.44 179.92 2hgh h LYS 153 N 0.64 0.92 -0.47 1.25 3.64 -0.46 0.77 116.57 122.86 2hgh h LYS 153 Ca 0.16 -0.06 -0.09 0.00 -1.27 0.00 0.00 60.65 59.39 2hgh h LYS 153 Cb 0.23 -0.21 -0.02 0.00 -0.41 0.00 0.00 32.23 31.83 2hgh h LYS 153 CO -0.01 0.61 -0.08 0.00 -2.27 0.00 0.00 179.45 177.70 2hgh h ARG 154 N 0.94 0.84 -0.63 1.90 2.47 -1.11 -2.95 114.38 115.85 2hgh h ARG 154 Ca 0.36 -0.27 -0.05 0.00 -1.26 0.00 0.00 59.98 58.76 2hgh h ARG 154 Cb 0.14 -0.07 -0.03 0.00 -1.65 0.00 0.00 29.97 28.36 2hgh h ARG 154 CO -0.16 0.89 0.20 1.25 0.56 0.00 0.00 179.97 182.71 2hgh h HIS 155 N 0.76 0.97 -0.25 3.04 2.76 0.22 -2.55 115.15 120.11 2hgh h HIS 155 Ca 0.13 -0.08 0.04 0.00 -2.20 0.00 0.00 60.37 58.26 2hgh h HIS 155 Cb 0.57 -0.29 -0.01 0.00 1.55 0.00 0.00 27.41 29.23 2hgh h HIS 155 CO 0.03 0.77 0.17 0.93 -1.30 0.00 0.00 177.93 178.53 2hgh h GLU 156 N 0.92 0.16 -0.02 5.26 5.08 -0.73 0.31 114.58 125.57 2hgh h GLU 156 Ca 0.21 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.56 2hgh h GLU 156 Cb 0.25 -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 0.87 -1.00 0.00 0.00 179.01 179.00 2hgh h LYS 157 N 0.17 0.00 -0.73 2.33 1.57 -1.46 -1.36 116.57 117.08 2hgh h LYS 157 Ca 0.11 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.87 2hgh h LYS 157 Cb 0.21 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.49 2hgh h LYS 157 CO -0.02 0.00 0.39 0.28 -0.57 0.00 0.00 179.45 179.54 2hgh h VAL 158 N 0.00 1.22 0.01 0.50 2.07 -1.04 0.66 116.25 119.67 2hgh h VAL 158 Ca 0.01 -0.57 -0.19 0.00 0.82 0.00 0.00 66.70 66.77 2hgh h VAL 158 Cb 0.04 0.27 -0.02 0.00 -1.52 0.00 0.00 31.29 30.06 2hgh h VAL 158 CO -0.00 0.25 -0.88 0.45 0.02 0.00 0.00 177.57 177.42 2hgh h HIS 159 N 1.01 0.07 0.00 1.57 3.86 -1.39 -3.13 115.15 117.14 2hgh h HIS 159 Ca 0.26 -0.04 -0.10 0.00 -1.16 0.00 0.00 60.37 59.32 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 0.89 -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 -1.00 -3.50 119.26 119.39 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 0.04 0.08 2.88 0.00 0.00 0.19 -4.93 105.19 103.46 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 -1.93 2.86 0.33 1.61 1.51 -0.18 -4.83 117.35 116.71 2hgh s TYR 162 Ca 0.00 -2.72 -0.25 0.00 -1.01 0.00 0.00 57.07 53.09 2hgh s TYR 162 Cb 0.00 -2.47 -0.10 0.00 -0.11 0.00 0.00 41.96 39.28 2hgh s TYR 162 CO 0.00 -0.84 0.92 -1.25 -1.11 0.00 0.00 175.55 173.27 2hgh s PRO 163 N 0.53 4.50 0.33 -1.71 0.04 -1.26 -1.17 135.00 136.26 2hgh s PRO 163 Ca 0.14 1.25 -0.27 0.00 0.04 0.00 0.00 61.00 62.16 2hgh s PRO 163 Cb -0.22 -2.72 -0.09 0.00 0.04 0.00 0.00 34.50 31.51 2hgh s PRO 163 CO -0.07 0.25 1.08 0.00 0.04 0.00 0.00 177.00 178.30 2hgh n LYS 165 N 0.71 0.00 0.26 0.00 3.00 -1.26 -4.74 118.16 116.13 2hgh n LYS 165 Ca 0.01 -0.50 0.11 0.00 -0.00 0.00 0.00 58.31 57.93 2hgh n LYS 165 Cb 0.47 -0.37 0.71 0.00 0.00 0.00 0.00 35.03 35.84 2hgh n LYS 165 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.40 178.27 2hgh h LYS 166 N 0.00 0.00 -3.50 1.64 1.79 -1.93 -3.41 116.57 111.15 2hgh h LYS 166 Ca 0.00 0.00 -0.19 0.00 -2.18 0.00 0.00 60.65 58.28 2hgh h LYS 166 Cb 1.10 0.00 -0.25 0.00 -1.58 0.00 0.00 32.23 31.50 2hgh h LYS 166 CO 0.00 0.09 -0.57 0.34 -1.08 0.00 0.00 179.45 178.23 2hgh s ASP 167 N -6.46 -0.06 0.55 0.86 -1.08 -1.26 -5.05 116.67 104.16 2hgh s ASP 167 Ca -0.04 0.09 0.34 0.00 -0.52 0.00 0.00 52.55 52.42 2hgh s ASP 167 Cb 0.15 0.22 1.42 0.00 -1.46 0.00 0.00 42.92 43.25 2hgh s ASP 167 CO 0.61 -0.13 2.01 -0.78 0.52 0.00 0.00 175.17 177.40 2hgh h ASP 168 N 5.52 0.00 -0.50 -0.34 3.58 -1.95 -2.37 116.42 120.36 2hgh h ASP 168 Ca -0.27 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.18 2hgh h ASP 168 Cb 1.20 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.25 2hgh h ASP 168 CO 0.43 0.02 0.00 -1.54 -2.88 0.00 0.00 179.24 175.26 2hgh n SER 169 N -3.12 4.38 -4.47 2.28 3.41 -1.26 -4.88 113.62 109.96 2hgh n SER 169 Ca 0.00 -2.54 -0.33 0.00 -0.26 0.00 0.00 58.87 55.74 2hgh n SER 169 Cb 0.29 -0.58 -0.13 0.00 -0.26 0.00 0.00 64.21 63.53 2hgh n SER 169 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2hgh n SER 171 N 2.91 1.00 -4.77 0.00 7.64 -1.26 -4.76 113.62 114.37 2hgh n SER 171 Ca -0.18 -2.05 -0.41 0.00 1.01 0.00 0.00 58.87 57.24 2hgh n SER 171 Cb 0.53 -0.17 -0.01 0.00 -1.01 0.00 0.00 64.21 63.54 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 -0.94 2.68 -0.10 1.43 2.19 -1.26 -4.83 117.98 117.15 2hgh s PHE 172 Ca 0.08 1.14 0.01 0.00 0.33 0.00 0.00 56.93 58.49 2hgh s PHE 172 Cb 0.07 -3.98 0.02 0.00 -1.31 0.00 0.00 43.02 37.82 2hgh s PHE 172 CO 0.01 -2.94 -0.10 0.08 1.83 0.00 0.00 175.22 174.10 2hgh s VAL 173 N -0.93 1.16 0.09 3.12 1.01 -1.26 -0.50 120.40 123.09 2hgh s VAL 173 Ca 0.54 -0.42 -0.21 0.00 0.00 0.00 0.00 61.98 61.89 2hgh s VAL 173 Cb -0.46 -1.12 -0.07 0.00 0.00 0.00 0.00 36.38 34.74 2hgh s VAL 173 CO 0.59 0.38 0.64 -0.83 0.00 0.00 0.00 175.10 175.88 2hgh s GLY 174 N 1.30 2.74 0.55 4.51 0.00 -0.32 -4.82 107.32 111.28 2hgh s GLY 174 Ca -0.02 0.13 0.29 0.00 0.00 0.00 0.00 44.72 45.12 2hgh s GLY 174 CO -0.04 0.64 2.14 1.70 0.00 0.00 0.00 173.10 177.54 2hgh h LYS 175 N 4.69 0.00 -3.84 2.90 3.11 -1.89 -0.45 116.57 121.08 2hgh h LYS 175 Ca -0.48 0.00 -0.09 0.00 -2.81 0.00 0.00 60.65 57.27 2hgh h LYS 175 Cb 1.21 0.00 -0.13 0.00 -1.00 0.00 0.00 32.23 32.31 2hgh h LYS 175 CO 0.65 0.08 -0.34 0.95 -2.81 0.00 0.00 179.45 177.97 2hgh s THR 176 N -4.31 0.11 0.27 1.00 -4.23 -1.26 -4.69 115.64 102.52 2hgh s THR 176 Ca -0.03 -1.26 -0.03 0.00 -1.18 0.00 0.00 61.69 59.19 2hgh s THR 176 Cb 0.14 -1.55 0.27 0.00 1.34 0.00 0.00 72.50 72.69 2hgh s THR 176 CO 0.56 -0.49 1.92 -0.25 -0.54 0.00 0.00 174.62 175.82 2hgh h TRP 177 N 2.65 1.16 -0.31 3.99 -0.00 -1.95 -2.06 115.95 119.43 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 1.21 -0.39 -0.04 0.00 -0.00 0.00 0.00 29.16 29.95 2hgh h TRP 177 CO 0.41 0.66 0.10 1.79 -0.00 0.00 0.00 178.44 181.40 2hgh h THR 178 N 1.19 0.90 -0.38 2.65 1.35 -1.98 -1.25 112.91 115.39 2hgh h THR 178 Ca 0.38 -0.08 -0.03 0.00 -0.55 0.00 0.00 66.41 66.14 2hgh h THR 178 Cb 0.03 0.65 -0.02 0.00 -1.73 0.00 0.00 68.15 67.08 2hgh h THR 178 CO -0.12 0.04 0.11 -0.07 -0.25 0.00 0.00 175.52 175.23 2hgh h LEU 179 N 0.23 0.50 -0.09 3.87 3.38 -1.78 0.18 115.31 121.60 2hgh h LEU 179 Ca 0.14 -0.06 -0.03 0.00 0.09 0.00 0.00 57.88 58.02 2hgh h LEU 179 Cb 0.12 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.74 2hgh h LEU 179 CO -0.16 0.49 -0.05 0.22 0.09 0.00 0.00 178.44 179.03 2hgh h TYR 180 N 0.54 0.21 -0.83 1.13 3.20 -1.19 -0.88 116.97 119.16 2hgh h TYR 180 Ca 0.13 -0.06 0.00 0.00 3.14 0.00 0.00 58.73 61.94 2hgh h TYR 180 Cb 0.18 -0.05 -0.04 0.00 1.54 0.00 0.00 36.73 38.36 2hgh h TYR 180 CO 0.01 0.56 0.52 -0.07 -1.64 0.00 0.00 178.16 177.54 2hgh h LEU 181 N -0.20 0.98 -0.62 2.82 3.38 -0.67 0.97 115.31 121.97 2hgh h LEU 181 Ca 0.02 -0.05 -0.07 0.00 0.09 0.00 0.00 57.88 57.86 2hgh h LEU 181 Cb 0.51 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 2hgh h LEU 181 CO 0.01 0.74 0.10 0.11 0.09 0.00 0.00 178.44 179.49 2hgh h LYS 182 N 1.14 1.03 -0.73 1.13 1.57 -0.67 -0.75 116.57 119.29 2hgh h LYS 182 Ca 0.30 -0.28 -0.02 0.00 -1.87 0.00 0.00 60.65 58.79 2hgh h LYS 182 Cb -0.08 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.08 2hgh h LYS 182 CO -0.06 0.96 0.38 1.25 -0.57 0.00 0.00 179.45 181.41 2hgh h HIS 183 N 0.94 1.01 -0.39 -1.35 2.76 -0.51 -2.06 115.15 115.55 2hgh h HIS 183 Ca 0.19 -0.03 -0.03 0.00 -2.20 0.00 0.00 60.37 58.30 2hgh h HIS 183 Cb 0.43 -0.32 -0.02 0.00 1.55 0.00 0.00 27.41 29.05 2hgh h HIS 183 CO 0.03 0.72 0.14 0.28 -1.30 0.00 0.00 177.93 177.81 2hgh h VAL 184 N 1.00 1.20 -0.29 5.26 2.07 -0.53 -0.19 116.25 124.78 2hgh h VAL 184 Ca 0.25 -0.64 -0.05 0.00 0.82 0.00 0.00 66.70 67.08 2hgh h VAL 184 Cb 0.06 0.89 -0.02 0.00 -1.52 0.00 0.00 31.29 30.70 2hgh h VAL 184 CO -0.04 0.23 -0.04 0.00 0.02 0.00 0.00 177.57 177.74 2hgh h ALA 185 N 0.99 1.40 0.00 1.67 0.00 -0.91 0.99 119.26 123.40 2hgh h ALA 185 Ca 0.13 -0.21 -0.11 0.00 0.00 0.00 0.00 54.91 54.72 2hgh h ALA 185 Cb 0.21 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 2hgh h ALA 185 CO -0.01 0.42 -1.21 0.93 0.00 0.00 0.00 179.25 179.38 2hgh h GLU 186 N 0.43 0.00 0.00 0.00 4.39 -1.17 -3.31 114.58 114.92 2hgh h GLU 186 Ca 0.09 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.79 2hgh h GLU 186 Cb 0.35 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.00 2hgh h GLU 186 CO 0.01 0.21 -1.12 0.00 -1.16 0.00 0.00 179.01 176.95 2hgh n HIS 188 N -1.60 0.00 -4.18 0.00 8.25 0.30 -5.04 115.22 112.96 2hgh n HIS 188 Ca -0.01 -0.18 -0.14 0.00 -0.26 0.00 0.00 57.72 57.13 2hgh n HIS 188 Cb 0.09 -0.03 -0.08 0.00 1.12 0.00 0.00 29.99 31.10 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 -0.40 1.54 0.00 -0.41 -0.21 -0.96 -4.95 119.66 114.27 2hgh s GLN 189 Ca 0.01 -1.72 0.00 0.00 0.02 0.00 0.00 55.36 53.68 2hgh s GLN 189 Cb 0.01 0.34 0.00 0.00 1.00 0.00 0.00 33.01 34.37 2hgh s GLN 189 CO 0.00 -0.57 0.00 -3.47 -2.12 0.00 0.00 175.29 169.13