#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 -0.34 -4.94 117.35 117.65 2hgh s TYR 105 Ca 0.00 -0.60 0.02 0.00 -1.01 0.00 0.00 57.07 55.47 2hgh s TYR 105 Cb 0.00 -2.12 -0.03 0.00 -0.11 0.00 0.00 41.96 39.70 2hgh s TYR 105 CO 0.00 -0.37 -0.10 0.08 -1.11 0.00 0.00 175.55 174.06 2hgh s VAL 106 N 1.29 3.46 0.01 0.71 1.01 -1.26 -0.22 120.40 125.39 2hgh s VAL 106 Ca 0.04 -0.57 -0.30 0.00 0.00 0.00 0.00 61.98 61.15 2hgh s VAL 106 Cb -0.15 -2.40 -0.03 0.00 0.00 0.00 0.00 36.38 33.80 2hgh s VAL 106 CO 0.01 0.59 1.02 0.00 0.00 0.00 0.00 175.10 176.72 2hgh n HIS 108 N 3.97 1.06 -1.33 0.00 8.25 -1.26 -2.58 115.22 123.33 2hgh n HIS 108 Ca 0.07 -1.21 -0.34 0.00 -0.26 0.00 0.00 57.72 55.98 2hgh n HIS 108 Cb 0.50 -0.41 0.11 0.00 1.12 0.00 0.00 29.99 31.31 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 1.94 -0.18 4.41 2.19 -1.26 -4.83 117.98 117.24 2hgh s PHE 109 Ca 0.44 1.62 -0.32 0.00 0.33 0.00 0.00 56.93 58.99 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 -2.76 2.06 -1.91 1.83 0.00 0.00 175.22 174.49 2hgh n GLU 110 N -2.88 1.91 -1.16 10.12 2.13 -1.26 -1.38 120.64 128.12 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 -4.40 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 -2.38 0.00 0.00 -0.53 0.00 0.00 39.78 37.20 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 0.57 3.77 0.00 0.00 -1.06 -5.01 105.19 105.87 2hgh n GLY 113 Ca 0.00 -0.26 -0.38 0.00 0.00 0.00 0.00 46.02 45.38 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 -1.50 4.00 -0.03 1.61 2.20 -1.25 -4.78 119.74 120.00 2hgh s LYS 114 Ca 0.00 1.89 0.06 0.00 -0.36 0.00 0.00 55.97 57.56 2hgh s LYS 114 Cb 0.00 -2.66 -0.01 0.00 -1.51 0.00 0.00 37.83 33.65 2hgh s LYS 114 CO 0.00 -0.38 -0.20 0.00 -0.36 0.00 0.00 175.35 174.41 2hgh s ALA 115 N -1.40 1.69 0.19 3.13 0.00 -1.26 -0.30 121.76 123.82 2hgh s ALA 115 Ca 0.58 -0.84 0.08 0.00 0.00 0.00 0.00 51.96 51.77 2hgh s ALA 115 Cb -0.32 -0.47 -0.04 0.00 0.00 0.00 0.00 23.12 22.29 2hgh s ALA 115 CO 0.40 0.38 -0.15 -0.06 0.00 0.00 0.00 175.76 176.33 2hgh s PHE 116 N -0.32 1.72 0.18 0.00 0.40 0.69 -4.98 117.98 115.68 2hgh s PHE 116 Ca 0.04 -0.54 0.07 0.00 -0.60 0.00 0.00 56.93 55.90 2hgh s PHE 116 Cb -0.09 -0.82 0.01 0.00 0.51 0.00 0.00 43.02 42.63 2hgh s PHE 116 CO 0.00 0.34 1.40 1.57 0.70 0.00 0.00 175.22 179.24 2hgh h LYS 117 N 2.78 0.04 -5.50 0.44 2.10 -1.97 -0.90 116.57 113.55 2hgh h LYS 117 Ca -0.39 -0.04 -0.46 0.00 -2.00 0.00 0.00 60.65 57.76 2hgh h LYS 117 Cb 1.22 0.01 -0.23 0.00 -0.90 0.00 0.00 32.23 32.33 2hgh h LYS 117 CO 0.59 0.87 -0.80 0.15 -2.00 0.00 0.00 179.45 178.26 2hgh s LYS 118 N -3.09 0.94 0.44 0.07 -0.14 -1.26 -4.67 119.74 112.03 2hgh s LYS 118 Ca -0.00 -0.91 0.17 0.00 -1.36 0.00 0.00 55.97 53.86 2hgh s LYS 118 Cb 0.11 -1.00 1.01 0.00 -1.68 0.00 0.00 37.83 36.27 2hgh s LYS 118 CO 0.80 0.23 1.95 1.12 -0.76 0.00 0.00 175.35 178.70 2hgh h HIS 119 N 4.53 0.00 -0.16 3.18 2.07 -1.91 -1.63 115.15 121.23 2hgh h HIS 119 Ca -0.41 0.00 -0.05 0.00 -2.85 0.00 0.00 60.37 57.07 2hgh h HIS 119 Cb 1.18 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 31.15 2hgh h HIS 119 CO 0.58 0.23 -0.12 -0.91 -3.07 0.00 0.00 177.93 174.64 2hgh h ASN 120 N 0.00 0.23 0.01 3.10 2.35 -1.99 0.16 115.58 119.44 2hgh h ASN 120 Ca -0.00 -0.05 -0.18 0.00 -0.55 0.00 0.00 56.30 55.52 2hgh h ASN 120 Cb 0.44 -0.06 -0.00 0.00 0.05 0.00 0.00 38.32 38.75 2hgh h ASN 120 CO 0.03 0.38 -0.64 1.56 -1.65 0.00 0.00 177.43 177.11 2hgh h GLN 121 N 0.24 0.61 -0.25 0.81 4.20 -1.74 -1.35 115.11 117.63 2hgh h GLN 121 Ca 0.05 -0.43 -0.01 0.00 0.06 0.00 0.00 58.65 58.32 2hgh h GLN 121 Cb 0.36 0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.20 2hgh h GLN 121 CO 0.02 1.05 0.13 1.25 -0.67 0.00 0.00 178.83 180.61 2hgh h LEU 122 N 0.44 0.32 -0.99 1.46 5.85 -0.88 0.66 115.31 122.17 2hgh h LEU 122 Ca -0.01 -0.11 0.02 0.00 0.84 0.00 0.00 57.88 58.62 2hgh h LEU 122 Cb 1.22 -0.08 -0.05 0.00 0.37 0.00 0.00 40.66 42.11 2hgh h LEU 122 CO 0.12 0.33 0.66 0.11 -0.34 0.00 0.00 178.44 179.32 2hgh h LYS 123 N 0.28 1.29 -0.82 1.25 1.57 -0.71 -1.11 116.57 118.32 2hgh h LYS 123 Ca 0.09 -0.08 -0.01 0.00 -1.87 0.00 0.00 60.65 58.78 2hgh h LYS 123 Cb 0.09 -0.29 -0.04 0.00 0.08 0.00 0.00 32.23 32.08 2hgh h LYS 123 CO -0.01 0.85 0.47 0.28 -0.57 0.00 0.00 179.45 180.47 2hgh h VAL 124 N 1.32 1.24 -0.30 0.50 2.07 -0.83 -2.30 116.25 117.95 2hgh h VAL 124 Ca 0.37 -0.56 -0.07 0.00 0.82 0.00 0.00 66.70 67.26 2hgh h VAL 124 Cb -0.11 0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 29.77 2hgh h VAL 124 CO -0.09 0.26 -0.09 -0.74 0.02 0.00 0.00 177.57 176.93 2hgh h HIS 125 N 1.13 0.66 -0.12 1.57 -0.00 -0.12 -3.06 115.15 115.21 2hgh h HIS 125 Ca 0.29 -0.15 -0.05 0.00 -0.00 0.00 0.00 60.37 60.46 2hgh h HIS 125 Cb -0.00 -0.16 -0.01 0.00 -0.00 0.00 0.00 27.41 27.24 2hgh h HIS 125 CO 0.00 0.78 -0.17 1.96 -0.00 0.00 0.00 177.93 180.50 2hgh h GLN 126 N 0.35 0.19 -0.44 5.26 4.20 -1.10 -1.32 115.11 122.25 2hgh h GLN 126 Ca 0.07 -0.05 0.13 0.00 0.06 0.00 0.00 58.65 58.86 2hgh h GLN 126 Cb 0.58 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.32 2hgh h GLN 126 CO 0.03 0.37 0.35 0.27 -0.67 0.00 0.00 178.83 179.18 2hgh h PHE 127 N 0.18 0.00 -0.14 2.96 -5.15 -1.31 -0.69 116.94 112.79 2hgh h PHE 127 Ca 0.04 0.00 -0.05 0.00 -0.20 0.00 0.00 57.97 57.76 2hgh h PHE 127 Cb 0.42 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 36.59 2hgh h PHE 127 CO 0.01 0.00 -0.09 1.03 -2.00 0.00 0.00 178.31 177.26 2hgh h SER 128 N 0.00 0.33 -0.41 -0.68 0.87 -1.30 0.23 113.55 112.59 2hgh h SER 128 Ca 0.21 -0.43 -0.05 0.00 -1.23 0.00 0.00 61.79 60.29 2hgh h SER 128 Cb 0.90 -0.09 -0.02 0.00 -0.44 0.00 0.00 62.40 62.75 2hgh h SER 128 CO -0.00 0.69 0.09 0.45 -0.53 0.00 0.00 176.83 177.52 2hgh h HIS 129 N -0.03 0.76 0.00 2.24 3.86 -1.24 -2.38 115.15 118.36 2hgh h HIS 129 Ca 0.03 -0.07 0.00 0.00 -1.16 0.00 0.00 60.37 59.17 2hgh h HIS 129 Cb 0.57 -0.22 0.00 0.00 1.06 0.00 0.00 27.41 28.82 2hgh h HIS 129 CO 0.07 0.66 -0.21 1.79 0.86 0.00 0.00 177.93 181.10 2hgh h THR 130 N 0.71 0.00 -4.31 2.45 1.35 -1.13 -3.48 112.91 108.51 2hgh h THR 130 Ca 0.16 -0.88 -0.36 0.00 -0.55 0.00 0.00 66.41 64.78 2hgh h THR 130 Cb 0.30 1.76 -0.01 0.00 -1.73 0.00 0.00 68.15 68.48 2hgh h THR 130 CO 0.00 0.00 -0.50 1.67 -0.25 0.00 0.00 175.52 176.44 2hgh n GLN 131 N -2.82 -3.26 -4.22 4.72 -0.06 0.80 -5.00 117.38 107.54 2hgh n GLN 131 Ca 0.04 0.73 -0.16 0.00 -2.00 0.00 0.00 57.00 55.61 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 -5.49 0.96 -0.12 3.69 1.03 -1.04 -5.04 119.66 113.66 2hgh s GLN 132 Ca 0.20 -1.24 -0.15 0.00 0.04 0.00 0.00 55.36 54.20 2hgh s GLN 132 Cb -0.10 -0.72 -0.05 0.00 0.03 0.00 0.00 33.01 32.18 2hgh s GLN 132 CO 0.24 0.12 0.36 -0.51 -2.54 0.00 0.00 175.29 172.97 2hgh s LEU 133 N -2.57 4.30 0.08 2.60 1.43 -1.26 -4.60 118.68 118.66 2hgh s LEU 133 Ca 0.09 0.68 -0.07 0.00 -1.03 0.00 0.00 54.13 53.80 2hgh s LEU 133 Cb -0.03 -2.50 -0.23 0.00 0.03 0.00 0.00 46.19 43.46 2hgh s LEU 133 CO 0.02 0.12 1.17 1.55 0.23 0.00 0.00 176.35 179.44 2hgh h PRO 134 N 6.26 0.40 -3.90 1.29 0.13 -1.90 -3.43 132.00 130.85 2hgh h PRO 134 Ca -0.44 -0.56 -0.78 0.00 -0.87 0.00 0.00 66.00 63.35 2hgh h PRO 134 Cb 1.18 0.19 -0.26 0.00 0.13 0.00 0.00 31.00 32.25 2hgh h PRO 134 CO 0.72 1.23 0.00 0.71 -0.23 0.00 0.00 178.00 180.44 2hgh s TYR 135 N -2.89 3.62 0.02 1.56 2.02 -1.11 -4.99 117.35 115.59 2hgh s TYR 135 Ca -0.06 -1.82 -0.10 0.00 -0.37 0.00 0.00 57.07 54.72 2hgh s TYR 135 Cb 0.07 -3.80 -0.05 0.00 -0.40 0.00 0.00 41.96 37.77 2hgh s TYR 135 CO 0.89 -1.00 0.35 -1.21 -1.57 0.00 0.00 175.55 173.02 2hgh s GLU 136 N 0.54 3.74 -0.12 -0.62 2.02 -1.26 -0.09 118.70 122.91 2hgh s GLU 136 Ca 0.14 0.17 -0.29 0.00 0.02 0.00 0.00 54.97 55.00 2hgh s GLU 136 Cb -0.16 -3.10 -0.02 0.00 0.10 0.00 0.00 34.13 30.95 2hgh s GLU 136 CO -0.06 0.64 1.32 0.00 0.02 0.00 0.00 175.26 177.18 2hgh n PRO 138 N 6.41 1.75 -2.04 0.00 -0.04 -1.26 -4.58 135.00 135.25 2hgh n PRO 138 Ca 0.14 -1.12 -0.39 0.00 -0.04 0.00 0.00 63.50 62.09 2hgh n PRO 138 Cb 0.45 -1.39 0.00 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 -1.78 2.72 -0.28 0.54 2.46 -1.26 -4.92 115.29 112.77 2hgh s HIS 139 Ca 0.32 1.42 -0.29 0.00 0.47 0.00 0.00 55.06 56.99 2hgh s HIS 139 Cb 0.17 -3.64 -0.02 0.00 -0.13 0.00 0.00 32.58 28.96 2hgh s HIS 139 CO 0.26 -2.15 1.80 -1.21 -2.47 0.00 0.00 174.74 170.97 2hgh s GLU 140 N -2.46 3.45 0.00 2.88 2.02 -1.26 -2.01 118.70 121.31 2hgh s GLU 140 Ca 0.61 1.57 0.00 0.00 0.02 0.00 0.00 54.97 57.17 2hgh s GLU 140 Cb -0.37 -4.18 0.00 0.00 0.10 0.00 0.00 34.13 29.69 2hgh s GLU 140 CO 0.46 -1.72 0.00 0.41 0.02 0.00 0.00 175.26 174.43 2hgh n GLY 141 N 5.27 0.51 3.78 -1.39 0.00 -1.26 -5.10 105.19 107.00 2hgh n GLY 141 Ca 0.23 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.42 0.00 -4.76 0.00 2.03 -1.26 -4.75 116.55 107.39 2hgh n ASP 143 Ca -0.08 -1.23 -0.38 0.00 0.52 0.00 0.00 54.79 53.62 2hgh n ASP 143 Cb 0.55 -0.05 0.01 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 3.55 0.07 -0.67 3.01 -1.26 -4.86 119.74 119.57 2hgh s LYS 144 Ca 0.00 2.04 0.03 0.00 -1.01 0.00 0.00 55.97 57.03 2hgh s LYS 144 Cb 0.00 -2.42 -0.03 0.00 -1.01 0.00 0.00 37.83 34.37 2hgh s LYS 144 CO 0.00 -0.80 -0.09 1.03 0.51 0.00 0.00 175.35 176.00 2hgh s ARG 145 N -2.69 0.69 0.09 1.68 0.52 -1.26 -0.91 118.95 117.07 2hgh s ARG 145 Ca 0.65 -0.95 0.03 0.00 -0.52 0.00 0.00 55.73 54.95 2hgh s ARG 145 Cb -0.35 -0.44 -0.04 0.00 0.52 0.00 0.00 34.95 34.64 2hgh s ARG 145 CO 0.43 0.08 -0.09 -0.06 0.02 0.00 0.00 175.30 175.68 2hgh s PHE 146 N -1.84 0.98 -0.60 -0.53 0.08 0.87 -4.99 117.98 111.96 2hgh s PHE 146 Ca -0.03 -0.71 0.24 0.00 0.12 0.00 0.00 56.93 56.56 2hgh s PHE 146 Cb -0.07 -0.55 0.35 0.00 -0.57 0.00 0.00 43.02 42.19 2hgh s PHE 146 CO 0.00 -0.04 1.35 0.66 -0.10 0.00 0.00 175.22 177.09 2hgh h SER 147 N 3.48 0.00 -5.09 1.36 4.64 -1.97 -2.95 113.55 113.02 2hgh h SER 147 Ca -0.37 -0.16 -0.14 0.00 -0.47 0.00 0.00 61.79 60.66 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 0.55 0.08 -0.61 -0.76 -0.87 0.00 0.00 176.83 175.22 2hgh s LEU 148 N -4.47 2.08 0.33 5.97 1.43 -1.26 -4.83 118.68 117.92 2hgh s LEU 148 Ca 0.06 -0.62 0.07 0.00 -1.03 0.00 0.00 54.13 52.60 2hgh s LEU 148 Cb 0.12 0.37 0.59 0.00 0.03 0.00 0.00 46.19 47.31 2hgh s LEU 148 CO 0.71 -0.47 1.81 1.55 0.23 0.00 0.00 176.35 180.18 2hgh h PRO 149 N 3.83 0.31 -0.65 1.29 0.13 -1.96 -2.37 132.00 132.59 2hgh h PRO 149 Ca -0.33 -0.10 -0.03 0.00 -0.87 0.00 0.00 66.00 64.67 2hgh h PRO 149 Cb 1.18 -0.03 -0.03 0.00 0.13 0.00 0.00 31.00 32.25 2hgh h PRO 149 CO 0.51 0.53 0.27 0.66 -0.23 0.00 0.00 178.00 179.74 2hgh h SER 150 N 0.28 0.86 -0.23 1.44 4.64 -1.98 0.12 113.55 118.67 2hgh h SER 150 Ca 0.05 -0.11 -0.18 0.00 -0.47 0.00 0.00 61.79 61.07 2hgh h SER 150 Cb 0.56 -0.22 -0.00 0.00 -0.31 0.00 0.00 62.40 62.43 2hgh h SER 150 CO 0.04 0.76 -0.56 0.03 -0.87 0.00 0.00 176.83 176.23 2hgh h ARG 151 N 0.93 0.82 -0.31 4.77 3.08 -1.86 -0.94 114.38 120.86 2hgh h ARG 151 Ca 0.22 -0.53 -0.03 0.00 0.07 0.00 0.00 59.98 59.72 2hgh h ARG 151 Cb 0.16 0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.26 2hgh h ARG 151 CO -0.02 1.16 0.10 1.25 -1.07 0.00 0.00 179.97 181.38 2hgh h LEU 152 N 0.63 0.45 -1.35 3.04 5.85 -1.23 -0.72 115.31 121.98 2hgh h LEU 152 Ca 0.01 -0.21 0.04 0.00 0.84 0.00 0.00 57.88 58.56 2hgh h LEU 152 Cb 1.16 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 42.03 2hgh h LEU 152 CO 0.12 0.54 0.46 0.11 -0.34 0.00 0.00 178.44 179.33 2hgh h LYS 153 N 0.34 0.81 -0.10 1.25 1.57 -0.62 0.55 116.57 120.38 2hgh h LYS 153 Ca 0.10 -0.05 -0.18 0.00 -1.87 0.00 0.00 60.65 58.65 2hgh h LYS 153 Cb 0.25 -0.18 -0.00 0.00 0.08 0.00 0.00 32.23 32.37 2hgh h LYS 153 CO -0.00 0.54 -0.70 -0.09 -0.57 0.00 0.00 179.45 178.62 2hgh h ARG 154 N 0.83 0.44 -0.33 3.15 2.43 -0.97 -3.12 114.38 116.83 2hgh h ARG 154 Ca 0.28 -0.35 -0.08 0.00 -0.81 0.00 0.00 59.98 59.02 2hgh h ARG 154 Cb 0.09 0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.69 2hgh h ARG 154 CO -0.08 0.98 -0.14 1.25 -1.51 0.00 0.00 179.97 180.47 2hgh h HIS 155 N 0.31 0.62 -0.24 2.20 2.76 -0.03 -2.75 115.15 118.02 2hgh h HIS 155 Ca -0.03 -0.10 0.04 0.00 -2.20 0.00 0.00 60.37 58.08 2hgh h HIS 155 Cb 1.28 -0.16 -0.01 0.00 1.55 0.00 0.00 27.41 30.06 2hgh h HIS 155 CO 0.05 0.68 0.17 0.93 -1.30 0.00 0.00 177.93 178.45 2hgh h GLU 156 N 0.52 0.15 -0.02 5.26 5.08 -0.87 0.05 114.58 124.75 2hgh h GLU 156 Ca 0.09 -0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.45 2hgh h GLU 156 Cb 0.54 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.76 2hgh h GLU 156 CO 0.03 0.10 0.02 0.87 -1.00 0.00 0.00 179.01 179.04 2hgh h LYS 157 N 0.15 0.00 -0.61 2.33 1.79 -1.54 -1.24 116.57 117.46 2hgh h LYS 157 Ca 0.11 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.56 2hgh h LYS 157 Cb 0.23 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 30.86 2hgh h LYS 157 CO -0.02 0.00 0.32 0.28 -1.08 0.00 0.00 179.45 178.96 2hgh h VAL 158 N 0.00 1.20 0.00 0.50 2.07 -1.12 -0.45 116.25 118.45 2hgh h VAL 158 Ca 0.01 -0.52 -0.14 0.00 0.82 0.00 0.00 66.70 66.87 2hgh h VAL 158 Cb 0.06 0.43 -0.02 0.00 -1.52 0.00 0.00 31.29 30.24 2hgh h VAL 158 CO -0.00 0.22 -0.67 0.45 0.02 0.00 0.00 177.57 177.59 2hgh h HIS 159 N 0.83 0.00 0.00 1.57 3.86 -1.38 -2.93 115.15 117.10 2hgh h HIS 159 Ca 0.21 0.00 -0.07 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 -0.01 0.67 -0.34 0.00 0.86 0.00 0.00 177.93 179.11 2hgh h ALA 160 N 1.33 1.06 0.00 2.45 0.00 -0.99 -3.50 119.26 119.62 2hgh h ALA 160 Ca -0.01 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.59 2hgh h ALA 160 Cb 1.32 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.06 2hgh h ALA 160 CO 0.09 0.43 0.00 0.41 0.00 0.00 0.00 179.25 180.18 2hgh n GLY 161 N 0.07 -0.31 2.88 0.00 0.00 -0.21 -4.91 105.19 102.71 2hgh n GLY 161 Ca -0.01 -1.76 -0.30 0.00 0.00 0.00 0.00 46.02 43.95 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 -1.85 2.85 0.32 1.61 1.51 -0.02 -4.84 117.35 116.93 2hgh s TYR 162 Ca 0.00 -2.72 -0.23 0.00 -1.01 0.00 0.00 57.07 53.11 2hgh s TYR 162 Cb 0.00 -2.46 -0.10 0.00 -0.11 0.00 0.00 41.96 39.29 2hgh s TYR 162 CO 0.00 -0.84 0.89 -1.25 -1.11 0.00 0.00 175.55 173.24 2hgh s PRO 163 N 0.54 4.43 0.30 -1.71 0.04 -1.26 -1.16 135.00 136.19 2hgh s PRO 163 Ca 0.14 1.17 -0.29 0.00 0.04 0.00 0.00 61.00 62.06 2hgh s PRO 163 Cb -0.22 -2.70 -0.09 0.00 0.04 0.00 0.00 34.50 31.52 2hgh s PRO 163 CO -0.07 0.25 1.08 0.00 0.04 0.00 0.00 177.00 178.31 2hgh n LYS 165 N 0.98 0.00 0.26 0.00 4.81 -1.26 -4.75 118.16 118.20 2hgh n LYS 165 Ca -0.00 -0.60 0.14 0.00 -0.87 0.00 0.00 58.31 56.98 2hgh n LYS 165 Cb 0.46 -0.44 0.70 0.00 0.02 0.00 0.00 35.03 35.76 2hgh n LYS 165 CO 0.00 0.00 0.00 0.87 1.17 0.00 0.00 177.40 179.44 2hgh h LYS 166 N 0.00 0.00 -2.88 1.64 1.79 -1.93 -3.43 116.57 111.75 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 1.12 0.00 -0.22 0.00 -1.58 0.00 0.00 32.23 31.56 2hgh h LYS 166 CO 0.00 0.11 -0.24 0.34 -1.08 0.00 0.00 179.45 178.58 2hgh s ASP 167 N -5.97 -0.30 0.45 0.86 -1.08 -1.26 -5.05 116.67 104.32 2hgh s ASP 167 Ca -0.01 0.40 0.19 0.00 -0.52 0.00 0.00 52.55 52.61 2hgh s ASP 167 Cb 0.11 0.52 1.09 0.00 -1.46 0.00 0.00 42.92 43.18 2hgh s ASP 167 CO 0.57 -0.33 1.97 -0.78 0.52 0.00 0.00 175.17 177.13 2hgh h ASP 168 N 4.50 0.00 -0.44 -0.34 3.58 -1.96 -2.50 116.42 119.26 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 0.34 0.21 0.00 -1.54 -2.88 0.00 0.00 179.24 175.38 2hgh n SER 169 N -3.99 3.69 -4.45 2.28 3.41 -1.26 -4.86 113.62 108.45 2hgh n SER 169 Ca -0.02 -2.41 -0.33 0.00 -0.26 0.00 0.00 58.87 55.86 2hgh n SER 169 Cb 0.29 -0.52 -0.13 0.00 -0.26 0.00 0.00 64.21 63.58 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 2.70 0.44 -4.78 0.00 7.64 -1.26 -4.80 113.62 113.55 2hgh n SER 171 Ca -0.18 -1.91 -0.41 0.00 1.01 0.00 0.00 58.87 57.39 2hgh n SER 171 Cb 0.52 -0.17 -0.01 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 -0.45 2.71 -0.10 1.43 2.19 -1.26 -4.82 117.98 117.66 2hgh s PHE 172 Ca 0.04 1.25 0.01 0.00 0.33 0.00 0.00 56.93 58.56 2hgh s PHE 172 Cb 0.04 -3.91 0.02 0.00 -1.31 0.00 0.00 43.02 37.86 2hgh s PHE 172 CO 0.00 -2.65 -0.10 0.08 1.83 0.00 0.00 175.22 174.38 2hgh s VAL 173 N -1.14 1.17 0.08 3.12 1.01 -1.26 -0.47 120.40 122.91 2hgh s VAL 173 Ca 0.53 -0.42 -0.23 0.00 0.00 0.00 0.00 61.98 61.86 2hgh s VAL 173 Cb -0.44 -1.13 -0.07 0.00 0.00 0.00 0.00 36.38 34.75 2hgh s VAL 173 CO 0.59 0.38 0.68 -0.83 0.00 0.00 0.00 175.10 175.92 2hgh s GLY 174 N 1.32 2.76 0.55 4.51 0.00 -0.31 -4.82 107.32 111.33 2hgh s GLY 174 Ca -0.02 0.18 0.32 0.00 0.00 0.00 0.00 44.72 45.21 2hgh s GLY 174 CO -0.05 0.77 2.08 1.70 0.00 0.00 0.00 173.10 177.60 2hgh h LYS 175 N 4.91 0.00 -3.80 2.90 3.11 -1.89 -0.01 116.57 121.78 2hgh h LYS 175 Ca -0.47 0.00 -0.09 0.00 -2.81 0.00 0.00 60.65 57.28 2hgh h LYS 175 Cb 1.21 0.00 -0.13 0.00 -1.00 0.00 0.00 32.23 32.30 2hgh h LYS 175 CO 0.67 0.08 -0.32 0.95 -2.81 0.00 0.00 179.45 178.01 2hgh s THR 176 N -3.98 0.11 0.26 1.00 -4.23 -1.26 -4.66 115.64 102.87 2hgh s THR 176 Ca -0.02 -1.21 -0.03 0.00 -1.18 0.00 0.00 61.69 59.25 2hgh s THR 176 Cb 0.12 -1.53 0.27 0.00 1.34 0.00 0.00 72.50 72.69 2hgh s THR 176 CO 0.55 -0.48 1.89 -0.25 -0.54 0.00 0.00 174.62 175.79 2hgh h TRP 177 N 2.63 1.21 -0.32 3.99 -0.00 -1.94 -2.02 115.95 119.50 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 1.22 -0.40 -0.04 0.00 -0.00 0.00 0.00 29.16 29.94 2hgh h TRP 177 CO 0.41 0.65 0.10 1.79 -0.00 0.00 0.00 178.44 181.38 2hgh h THR 178 N 1.20 0.89 -0.50 2.65 1.35 -1.98 -1.18 112.91 115.35 2hgh h THR 178 Ca 0.42 -0.08 -0.02 0.00 -0.55 0.00 0.00 66.41 66.18 2hgh h THR 178 Cb 0.11 0.64 -0.02 0.00 -1.73 0.00 0.00 68.15 67.15 2hgh h THR 178 CO -0.16 0.04 0.22 -0.07 -0.25 0.00 0.00 175.52 175.30 2hgh h LEU 179 N 0.23 0.64 -0.09 3.87 3.38 -1.77 0.18 115.31 121.74 2hgh h LEU 179 Ca 0.15 -0.06 -0.03 0.00 0.09 0.00 0.00 57.88 58.03 2hgh h LEU 179 Cb 0.13 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.71 2hgh h LEU 179 CO -0.16 0.56 -0.04 0.22 0.09 0.00 0.00 178.44 179.11 2hgh h TYR 180 N 0.71 0.22 -0.92 1.13 3.20 -1.19 -1.08 116.97 119.03 2hgh h TYR 180 Ca 0.17 -0.05 -0.00 0.00 3.14 0.00 0.00 58.73 61.99 2hgh h TYR 180 Cb 0.11 -0.05 -0.04 0.00 1.54 0.00 0.00 36.73 38.28 2hgh h TYR 180 CO 0.01 0.54 0.56 -0.07 -1.64 0.00 0.00 178.16 177.57 2hgh h LEU 181 N -0.17 1.10 -0.49 2.82 3.38 -0.67 0.14 115.31 121.42 2hgh h LEU 181 Ca 0.02 -0.06 -0.04 0.00 0.09 0.00 0.00 57.88 57.89 2hgh h LEU 181 Cb 0.49 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 2hgh h LEU 181 CO 0.01 0.84 0.16 0.11 0.09 0.00 0.00 178.44 179.65 2hgh h LYS 182 N 1.27 0.75 -0.63 1.13 1.57 -0.65 -0.99 116.57 119.03 2hgh h LYS 182 Ca 0.33 -0.16 -0.02 0.00 -1.87 0.00 0.00 60.65 58.94 2hgh h LYS 182 Cb -0.07 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.10 2hgh h LYS 182 CO -0.06 0.71 0.33 1.25 -0.57 0.00 0.00 179.45 181.10 2hgh h HIS 183 N 0.65 0.89 -0.44 -1.35 2.76 -0.48 -2.35 115.15 114.83 2hgh h HIS 183 Ca 0.16 -0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 58.29 2hgh h HIS 183 Cb 0.26 -0.28 -0.02 0.00 1.55 0.00 0.00 27.41 28.92 2hgh h HIS 183 CO 0.01 0.65 0.24 0.28 -1.30 0.00 0.00 177.93 177.81 2hgh h VAL 184 N 0.86 1.16 -0.21 5.26 2.07 -0.53 -0.12 116.25 124.74 2hgh h VAL 184 Ca 0.22 -0.43 -0.04 0.00 0.82 0.00 0.00 66.70 67.27 2hgh h VAL 184 Cb 0.08 0.64 -0.01 0.00 -1.52 0.00 0.00 31.29 30.48 2hgh h VAL 184 CO -0.03 0.17 -0.03 0.00 0.02 0.00 0.00 177.57 177.71 2hgh h ALA 185 N 1.09 1.56 0.00 1.67 0.00 -0.96 0.12 119.26 122.73 2hgh h ALA 185 Ca 0.16 -0.16 -0.20 0.00 0.00 0.00 0.00 54.91 54.71 2hgh h ALA 185 Cb 0.07 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 2hgh h ALA 185 CO -0.02 0.32 -1.44 1.49 0.00 0.00 0.00 179.25 179.60 2hgh h GLU 186 N 0.31 0.00 0.00 0.00 4.81 -1.05 -2.75 114.58 115.90 2hgh h GLU 186 Ca 0.07 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.30 2hgh h GLU 186 Cb 0.26 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.64 2hgh h GLU 186 CO 0.01 0.38 -1.23 0.00 -0.73 0.00 0.00 179.01 177.44 2hgh n HIS 188 N -1.68 0.00 -1.70 0.00 8.25 0.33 -4.82 115.22 115.59 2hgh n HIS 188 Ca -0.01 -0.09 0.00 0.00 -0.26 0.00 0.00 57.72 57.36 2hgh n HIS 188 Cb 0.14 -0.02 0.00 0.00 1.12 0.00 0.00 29.99 31.23 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 -0.11 0.00 0.00 -0.41 7.27 -0.77 -4.93 117.38 118.43 2hgh n GLN 189 Ca 0.00 -0.38 0.10 0.00 0.07 0.00 0.00 57.00 56.79 2hgh n GLN 189 Cb 0.50 -0.26 0.58 0.00 2.41 0.00 0.00 30.24 33.47 2hgh n GLN 189 CO 0.00 0.00 0.00 -0.40 0.07 0.00 0.00 177.06 176.73