#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 -0.08 1.12 1.51 -0.05 -4.92 117.35 117.94 2hgh s TYR 105 Ca 0.00 -0.57 -0.01 0.00 -1.01 0.00 0.00 57.07 55.48 2hgh s TYR 105 Cb 0.00 -2.11 -0.03 0.00 -0.11 0.00 0.00 41.96 39.71 2hgh s TYR 105 CO 0.00 -0.34 -0.04 0.08 -1.11 0.00 0.00 175.55 174.14 2hgh s VAL 106 N 1.21 3.95 -0.00 0.71 1.01 -1.26 -0.26 120.40 125.76 2hgh s VAL 106 Ca 0.03 -0.38 -0.30 0.00 0.00 0.00 0.00 61.98 61.33 2hgh s VAL 106 Cb -0.15 -2.64 -0.03 0.00 0.00 0.00 0.00 36.38 33.56 2hgh s VAL 106 CO 0.01 0.59 1.03 0.00 0.00 0.00 0.00 175.10 176.73 2hgh n HIS 108 N 4.06 1.12 -1.33 0.00 8.25 -1.26 -2.54 115.22 123.51 2hgh n HIS 108 Ca 0.07 -1.25 -0.34 0.00 -0.26 0.00 0.00 57.72 55.94 2hgh n HIS 108 Cb 0.50 -0.43 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 -3.04 1.95 -0.18 4.41 2.19 -1.26 -4.83 117.98 117.21 2hgh s PHE 109 Ca 0.44 1.62 -0.33 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 0.05 -2.76 2.06 0.39 1.83 0.00 0.00 175.22 176.79 2hgh n GLU 110 N -2.87 1.88 -1.16 10.12 1.02 -1.26 -1.35 120.64 127.02 2hgh n GLU 110 Ca 0.14 0.61 -0.05 0.00 -0.02 0.00 0.00 57.16 57.83 2hgh n GLU 110 Cb 0.50 -2.79 -0.02 0.00 -0.02 0.00 0.00 31.44 29.11 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 8.93 -4.41 0.00 1.62 5.15 -1.26 -4.94 115.26 120.35 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 37.18 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 0.55 3.77 0.00 0.00 -1.05 -5.01 105.19 105.88 2hgh n GLY 113 Ca 0.00 -0.24 -0.38 0.00 0.00 0.00 0.00 46.02 45.40 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 -1.43 4.08 -0.03 1.61 2.20 -1.25 -4.78 119.74 120.14 2hgh s LYS 114 Ca 0.00 1.84 0.06 0.00 -0.36 0.00 0.00 55.97 57.52 2hgh s LYS 114 Cb 0.00 -2.70 -0.01 0.00 -1.51 0.00 0.00 37.83 33.61 2hgh s LYS 114 CO 0.00 -0.29 -0.23 0.00 -0.36 0.00 0.00 175.35 174.47 2hgh s ALA 115 N -1.40 1.95 0.17 3.13 0.00 -1.26 -0.27 121.76 124.08 2hgh s ALA 115 Ca 0.56 -0.98 0.08 0.00 0.00 0.00 0.00 51.96 51.62 2hgh s ALA 115 Cb -0.31 -0.55 -0.04 0.00 0.00 0.00 0.00 23.12 22.22 2hgh s ALA 115 CO 0.39 0.43 -0.16 -0.06 0.00 0.00 0.00 175.76 176.36 2hgh s PHE 116 N -0.36 1.71 0.19 0.00 0.08 0.64 -4.97 117.98 115.27 2hgh s PHE 116 Ca 0.04 -0.51 -0.10 0.00 0.12 0.00 0.00 56.93 56.47 2hgh s PHE 116 Cb -0.11 -0.84 0.10 0.00 -0.57 0.00 0.00 43.02 41.60 2hgh s PHE 116 CO 0.01 0.31 1.73 -0.22 -0.10 0.00 0.00 175.22 176.94 2hgh h LYS 117 N 3.10 1.04 -4.72 0.44 3.64 -1.97 -0.11 116.57 117.99 2hgh h LYS 117 Ca -0.41 -0.21 -0.32 0.00 -1.27 0.00 0.00 60.65 58.44 2hgh h LYS 117 Cb 1.21 -0.15 -0.22 0.00 -0.41 0.00 0.00 32.23 32.65 2hgh h LYS 117 CO 0.54 0.89 -0.75 0.15 -2.27 0.00 0.00 179.45 178.01 2hgh s LYS 118 N -5.44 0.59 0.45 1.90 -0.14 -1.26 -4.50 119.74 111.34 2hgh s LYS 118 Ca -0.12 -0.72 0.17 0.00 -1.36 0.00 0.00 55.97 53.93 2hgh s LYS 118 Cb 0.14 -0.44 1.05 0.00 -1.68 0.00 0.00 37.83 36.89 2hgh s LYS 118 CO 0.82 0.09 1.98 1.12 -0.76 0.00 0.00 175.35 178.61 2hgh h HIS 119 N 4.67 0.00 -0.26 3.18 2.07 -1.92 -0.78 115.15 122.11 2hgh h HIS 119 Ca -0.36 0.00 -0.07 0.00 -2.85 0.00 0.00 60.37 57.10 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 0.61 0.20 -0.12 -0.91 -3.07 0.00 0.00 177.93 174.64 2hgh h ASN 120 N 0.00 0.42 0.19 3.10 2.35 -1.99 0.10 115.58 119.75 2hgh h ASN 120 Ca -0.00 -0.10 -0.18 0.00 -0.55 0.00 0.00 56.30 55.46 2hgh h ASN 120 Cb 0.38 -0.11 -0.00 0.00 0.05 0.00 0.00 38.32 38.64 2hgh h ASN 120 CO 0.03 0.57 -0.70 1.56 -1.65 0.00 0.00 177.43 177.24 2hgh h GLN 121 N 0.40 0.46 -0.26 0.81 1.08 -1.61 -1.45 115.11 114.54 2hgh h GLN 121 Ca 0.08 -0.36 -0.01 0.00 -1.45 0.00 0.00 58.65 56.92 2hgh h GLN 121 Cb 0.46 0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 27.95 2hgh h GLN 121 CO 0.03 0.99 0.14 1.25 -0.95 0.00 0.00 178.83 180.28 2hgh h LEU 122 N 0.32 0.33 -0.84 1.46 5.85 -0.78 -0.90 115.31 120.75 2hgh h LEU 122 Ca -0.03 -0.09 0.07 0.00 0.84 0.00 0.00 57.88 58.67 2hgh h LEU 122 Cb 1.27 -0.08 -0.06 0.00 0.37 0.00 0.00 40.66 42.16 2hgh h LEU 122 CO 0.12 0.32 0.52 0.11 -0.34 0.00 0.00 178.44 179.18 2hgh h LYS 123 N 0.31 0.91 -0.89 1.25 1.57 -0.76 -1.20 116.57 117.75 2hgh h LYS 123 Ca 0.09 -0.05 0.03 0.00 -1.87 0.00 0.00 60.65 58.84 2hgh h LYS 123 Cb 0.07 -0.20 -0.05 0.00 0.08 0.00 0.00 32.23 32.13 2hgh h LYS 123 CO -0.01 0.60 0.58 0.28 -0.57 0.00 0.00 179.45 180.33 2hgh h VAL 124 N 0.93 1.18 -0.24 0.50 2.07 -0.80 -1.89 116.25 118.00 2hgh h VAL 124 Ca 0.37 -0.39 -0.07 0.00 0.82 0.00 0.00 66.70 67.43 2hgh h VAL 124 Cb 0.19 -0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 29.88 2hgh h VAL 124 CO -0.18 0.21 -0.11 -0.74 0.02 0.00 0.00 177.57 176.77 2hgh h HIS 125 N 1.15 0.57 -0.12 1.57 -0.00 -0.34 -3.17 115.15 114.81 2hgh h HIS 125 Ca 0.35 -0.14 -0.06 0.00 -0.00 0.00 0.00 60.37 60.52 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 -0.01 0.76 -0.18 1.96 -0.00 0.00 0.00 177.93 180.46 2hgh h GLN 126 N 0.22 0.20 -0.46 5.26 4.20 -1.00 -1.33 115.11 122.20 2hgh h GLN 126 Ca 0.05 -0.05 0.13 0.00 0.06 0.00 0.00 58.65 58.85 2hgh h GLN 126 Cb 0.61 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.35 2hgh h GLN 126 CO 0.03 0.38 0.36 0.27 -0.67 0.00 0.00 178.83 179.20 2hgh h PHE 127 N 0.19 0.00 -0.15 2.96 -5.15 -1.32 -0.68 116.94 112.79 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 0.43 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 -0.05 1.03 -2.00 0.00 0.00 178.31 177.29 2hgh h SER 128 N 0.00 0.30 -0.41 -0.68 0.87 -1.33 0.24 113.55 112.54 2hgh h SER 128 Ca 0.22 -0.39 -0.05 0.00 -1.23 0.00 0.00 61.79 60.33 2hgh h SER 128 Cb 0.93 -0.08 -0.02 0.00 -0.44 0.00 0.00 62.40 62.79 2hgh h SER 128 CO -0.00 0.62 0.08 0.45 -0.53 0.00 0.00 176.83 177.45 2hgh h HIS 129 N -0.03 0.77 0.00 2.24 3.86 -1.24 -2.32 115.15 118.43 2hgh h HIS 129 Ca 0.03 -0.08 0.00 0.00 -1.16 0.00 0.00 60.37 59.17 2hgh h HIS 129 Cb 0.50 -0.22 0.00 0.00 1.06 0.00 0.00 27.41 28.75 2hgh h HIS 129 CO 0.06 0.68 -0.17 1.79 0.86 0.00 0.00 177.93 181.15 2hgh h THR 130 N 0.71 0.00 -4.14 2.45 1.35 -1.16 -3.48 112.91 108.65 2hgh h THR 130 Ca 0.15 -0.83 -0.35 0.00 -0.55 0.00 0.00 66.41 64.84 2hgh h THR 130 Cb 0.32 1.74 -0.01 0.00 -1.73 0.00 0.00 68.15 68.47 2hgh h THR 130 CO 0.00 0.00 -0.48 1.67 -0.25 0.00 0.00 175.52 176.47 2hgh n GLN 131 N -2.77 -2.97 -4.23 4.72 -0.06 0.81 -5.00 117.38 107.88 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 -5.39 1.01 -0.13 3.69 1.03 -1.04 -5.04 119.66 113.79 2hgh s GLN 132 Ca 0.15 -1.27 -0.14 0.00 0.04 0.00 0.00 55.36 54.14 2hgh s GLN 132 Cb -0.07 -0.80 -0.05 0.00 0.03 0.00 0.00 33.01 32.12 2hgh s GLN 132 CO 0.19 0.14 0.31 -0.51 -2.54 0.00 0.00 175.29 172.88 2hgh s LEU 133 N -2.60 4.29 0.07 2.60 1.43 -1.26 -4.60 118.68 118.61 2hgh s LEU 133 Ca 0.10 0.60 -0.09 0.00 -1.03 0.00 0.00 54.13 53.71 2hgh s LEU 133 Cb -0.03 -2.41 -0.27 0.00 0.03 0.00 0.00 46.19 43.51 2hgh s LEU 133 CO 0.02 0.15 1.13 1.55 0.23 0.00 0.00 176.35 179.43 2hgh h PRO 134 N 6.24 0.42 -4.02 1.29 0.13 -1.90 -3.43 132.00 130.73 2hgh h PRO 134 Ca -0.44 -0.63 -0.77 0.00 -0.87 0.00 0.00 66.00 63.29 2hgh h PRO 134 Cb 1.18 0.22 -0.25 0.00 0.13 0.00 0.00 31.00 32.29 2hgh h PRO 134 CO 0.72 1.28 0.09 0.71 -0.23 0.00 0.00 178.00 180.57 2hgh s TYR 135 N -2.80 3.57 -0.04 1.56 2.02 -1.11 -4.99 117.35 115.56 2hgh s TYR 135 Ca -0.06 -1.75 -0.06 0.00 -0.37 0.00 0.00 57.07 54.83 2hgh s TYR 135 Cb 0.06 -3.86 -0.04 0.00 -0.40 0.00 0.00 41.96 37.72 2hgh s TYR 135 CO 0.90 -1.05 0.21 -1.83 -1.57 0.00 0.00 175.55 172.21 2hgh s GLU 136 N 0.79 3.51 -0.12 -0.62 -1.05 -1.26 -0.08 118.70 119.86 2hgh s GLU 136 Ca 0.15 -0.13 -0.29 0.00 -0.15 0.00 0.00 54.97 54.55 2hgh s GLU 136 Cb -0.15 -3.13 -0.02 0.00 -0.44 0.00 0.00 34.13 30.38 2hgh s GLU 136 CO -0.06 0.71 1.32 0.00 0.95 0.00 0.00 175.26 178.18 2hgh n PRO 138 N 6.41 1.76 -1.93 0.00 -0.04 -1.26 -4.46 135.00 135.48 2hgh n PRO 138 Ca 0.14 -1.14 -0.35 0.00 -0.04 0.00 0.00 63.50 62.10 2hgh n PRO 138 Cb 0.45 -1.39 0.04 0.00 -0.04 0.00 0.00 33.50 32.56 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 2.41 0.13 0.54 2.46 -1.26 -4.95 115.29 112.86 2hgh s HIS 139 Ca 0.32 1.54 -0.31 0.00 0.47 0.00 0.00 55.06 57.07 2hgh s HIS 139 Cb 0.17 -3.41 -0.09 0.00 -0.13 0.00 0.00 32.58 29.12 2hgh s HIS 139 CO 0.25 -2.11 1.56 -2.00 -2.47 0.00 0.00 174.74 169.97 2hgh s GLU 140 N -3.51 4.23 0.00 2.88 2.56 -1.26 -2.28 118.70 121.32 2hgh s GLU 140 Ca 0.75 2.30 0.00 0.00 0.00 0.00 0.00 54.97 58.02 2hgh s GLU 140 Cb -0.28 -3.29 0.00 0.00 2.00 0.00 0.00 34.13 32.56 2hgh s GLU 140 CO 0.35 -0.61 0.00 0.41 -0.56 0.00 0.00 175.26 174.85 2hgh n GLY 141 N 3.78 0.75 3.54 -1.50 0.00 -1.26 -5.04 105.19 105.46 2hgh n GLY 141 Ca 0.14 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.88 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 0.28 0.00 -4.77 0.00 2.03 -1.26 -4.71 116.55 108.12 2hgh n ASP 143 Ca -0.12 -1.41 -0.39 0.00 0.52 0.00 0.00 54.79 53.39 2hgh n ASP 143 Cb 0.55 -0.08 0.01 0.00 -0.72 0.00 0.00 41.12 40.87 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 3.77 0.06 -0.67 3.01 -1.26 -4.84 119.74 119.81 2hgh s LYS 144 Ca 0.00 2.24 0.03 0.00 -1.01 0.00 0.00 55.97 57.24 2hgh s LYS 144 Cb 0.00 -2.65 -0.03 0.00 -1.01 0.00 0.00 37.83 34.14 2hgh s LYS 144 CO 0.00 -0.68 -0.10 1.03 0.51 0.00 0.00 175.35 176.11 2hgh s ARG 145 N -2.40 0.65 0.10 1.68 0.52 -1.26 -0.75 118.95 117.48 2hgh s ARG 145 Ca 0.60 -0.87 0.03 0.00 -0.52 0.00 0.00 55.73 54.97 2hgh s ARG 145 Cb -0.40 -0.47 -0.04 0.00 0.52 0.00 0.00 34.95 34.56 2hgh s ARG 145 CO 0.51 0.09 -0.09 -0.06 0.02 0.00 0.00 175.30 175.77 2hgh s PHE 146 N -1.51 1.00 -0.47 -0.53 0.08 0.88 -4.98 117.98 112.45 2hgh s PHE 146 Ca -0.06 -0.76 0.24 0.00 0.12 0.00 0.00 56.93 56.47 2hgh s PHE 146 Cb -0.09 -0.55 0.32 0.00 -0.57 0.00 0.00 43.02 42.13 2hgh s PHE 146 CO 0.01 -0.05 1.42 0.66 -0.10 0.00 0.00 175.22 177.15 2hgh h SER 147 N 3.26 0.00 -5.09 1.36 4.64 -1.97 -2.94 113.55 112.82 2hgh h SER 147 Ca -0.36 -0.04 -0.14 0.00 -0.47 0.00 0.00 61.79 60.77 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 0.02 -0.65 -0.76 -0.87 0.00 0.00 176.83 175.16 2hgh s LEU 148 N -5.29 2.20 0.39 5.97 1.43 -1.26 -4.82 118.68 117.30 2hgh s LEU 148 Ca 0.05 -0.67 0.14 0.00 -1.03 0.00 0.00 54.13 52.62 2hgh s LEU 148 Cb 0.09 0.26 0.80 0.00 0.03 0.00 0.00 46.19 47.37 2hgh s LEU 148 CO 0.70 -0.45 1.86 1.55 0.23 0.00 0.00 176.35 180.25 2hgh h PRO 149 N 3.92 0.00 -0.44 1.29 0.13 -1.95 -2.07 132.00 132.87 2hgh h PRO 149 Ca -0.33 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.70 2hgh h PRO 149 Cb 1.18 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.29 2hgh h PRO 149 CO 0.51 0.33 -0.14 0.66 -0.23 0.00 0.00 178.00 179.14 2hgh h SER 150 N 0.00 0.82 -0.18 1.44 4.64 -1.98 0.15 113.55 118.43 2hgh h SER 150 Ca -0.00 -0.26 -0.16 0.00 -0.47 0.00 0.00 61.79 60.89 2hgh h SER 150 Cb 0.59 -0.22 -0.00 0.00 -0.31 0.00 0.00 62.40 62.45 2hgh h SER 150 CO 0.04 0.96 -0.49 0.03 -0.87 0.00 0.00 176.83 176.51 2hgh h ARG 151 N 0.73 0.75 -0.46 4.77 2.47 -1.86 -1.17 114.38 119.62 2hgh h ARG 151 Ca 0.12 -0.44 -0.04 0.00 -1.26 0.00 0.00 59.98 58.36 2hgh h ARG 151 Cb 0.64 0.04 -0.02 0.00 -1.65 0.00 0.00 29.97 28.98 2hgh h ARG 151 CO 0.04 1.06 0.13 1.25 0.56 0.00 0.00 179.97 183.02 2hgh h LEU 152 N 0.59 0.68 -1.01 3.04 5.85 -1.27 -1.27 115.31 121.93 2hgh h LEU 152 Ca 0.03 -0.22 0.06 0.00 0.84 0.00 0.00 57.88 58.59 2hgh h LEU 152 Cb 1.05 -0.18 -0.06 0.00 0.37 0.00 0.00 40.66 41.84 2hgh h LEU 152 CO 0.10 0.72 0.65 0.50 -0.34 0.00 0.00 178.44 180.08 2hgh h LYS 153 N 0.61 1.17 -0.50 1.25 1.63 -0.47 0.88 116.57 121.14 2hgh h LYS 153 Ca 0.15 -0.07 -0.08 0.00 -0.85 0.00 0.00 60.65 59.80 2hgh h LYS 153 Cb 0.29 -0.26 -0.02 0.00 -0.60 0.00 0.00 32.23 31.64 2hgh h LYS 153 CO -0.00 0.78 0.02 0.00 -3.45 0.00 0.00 179.45 176.79 2hgh h ARG 154 N 1.21 0.87 -0.65 1.90 2.47 -1.02 -2.97 114.38 116.19 2hgh h ARG 154 Ca 0.43 -0.27 -0.01 0.00 -1.26 0.00 0.00 59.98 58.86 2hgh h ARG 154 Cb 0.12 -0.08 -0.03 0.00 -1.65 0.00 0.00 29.97 28.32 2hgh h ARG 154 CO -0.16 0.90 0.35 1.25 0.56 0.00 0.00 179.97 182.86 2hgh h HIS 155 N 0.74 0.88 -0.24 3.04 2.76 -0.02 -2.11 115.15 120.20 2hgh h HIS 155 Ca 0.14 -0.02 0.04 0.00 -2.20 0.00 0.00 60.37 58.34 2hgh h HIS 155 Cb 0.49 -0.28 -0.01 0.00 1.55 0.00 0.00 27.41 29.15 2hgh h HIS 155 CO 0.04 0.62 0.16 0.93 -1.30 0.00 0.00 177.93 178.38 2hgh h GLU 156 N 0.91 0.16 -0.02 5.26 5.08 -0.71 -0.17 114.58 125.08 2hgh h GLU 156 Ca 0.23 -0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.59 2hgh h GLU 156 Cb 0.04 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 2hgh h GLU 156 CO -0.04 0.10 0.02 0.87 -1.00 0.00 0.00 179.01 178.97 2hgh h LYS 157 N 0.16 0.00 -0.60 2.33 1.79 -1.38 -1.25 116.57 117.63 2hgh h LYS 157 Ca 0.10 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.56 2hgh h LYS 157 Cb 0.22 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 30.84 2hgh h LYS 157 CO -0.02 0.00 0.32 0.28 -1.08 0.00 0.00 179.45 178.95 2hgh h VAL 158 N 0.00 1.20 0.00 0.50 2.07 -1.14 0.15 116.25 119.04 2hgh h VAL 158 Ca 0.01 -0.52 -0.18 0.00 0.82 0.00 0.00 66.70 66.83 2hgh h VAL 158 Cb 0.06 0.45 -0.02 0.00 -1.52 0.00 0.00 31.29 30.25 2hgh h VAL 158 CO -0.00 0.22 -0.87 0.45 0.02 0.00 0.00 177.57 177.39 2hgh h HIS 159 N 0.81 0.06 0.00 1.57 3.86 -1.38 -3.07 115.15 116.99 2hgh h HIS 159 Ca 0.21 -0.03 -0.10 0.00 -1.16 0.00 0.00 60.37 59.28 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 -0.01 0.88 -0.49 0.00 0.86 0.00 0.00 177.93 179.17 2hgh h ALA 160 N 1.10 1.09 0.00 2.45 0.00 -1.04 -3.50 119.26 119.37 2hgh h ALA 160 Ca -0.02 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.44 2hgh h ALA 160 Cb 1.52 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.23 2hgh h ALA 160 CO 0.12 0.62 0.00 0.41 0.00 0.00 0.00 179.25 180.40 2hgh n GLY 161 N 0.05 -0.74 2.88 0.00 0.00 0.50 -4.90 105.19 102.98 2hgh n GLY 161 Ca -0.01 -1.70 -0.30 0.00 0.00 0.00 0.00 46.02 44.01 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 -1.67 2.85 0.27 1.61 1.51 0.40 -4.85 117.35 117.47 2hgh s TYR 162 Ca 0.00 -2.71 -0.29 0.00 -1.01 0.00 0.00 57.07 53.06 2hgh s TYR 162 Cb 0.00 -2.46 -0.09 0.00 -0.11 0.00 0.00 41.96 39.30 2hgh s TYR 162 CO 0.00 -0.84 0.96 -1.25 -1.11 0.00 0.00 175.55 173.31 2hgh s PRO 163 N 0.55 4.74 0.33 -1.71 0.04 -1.26 -0.93 135.00 136.75 2hgh s PRO 163 Ca 0.14 1.46 -0.28 0.00 0.04 0.00 0.00 61.00 62.36 2hgh s PRO 163 Cb -0.22 -3.10 -0.10 0.00 0.04 0.00 0.00 34.50 31.13 2hgh s PRO 163 CO -0.07 0.40 1.22 0.00 0.04 0.00 0.00 177.00 178.59 2hgh n LYS 165 N 0.80 0.00 0.26 0.00 4.81 -1.26 -4.76 118.16 118.01 2hgh n LYS 165 Ca 0.00 -0.54 0.13 0.00 -0.87 0.00 0.00 58.31 57.03 2hgh n LYS 165 Cb 0.43 -0.44 0.66 0.00 0.02 0.00 0.00 35.03 35.71 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 -3.08 1.64 1.79 -1.98 -3.43 116.57 111.50 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 0.13 -0.36 0.34 -1.08 0.00 0.00 179.45 178.48 2hgh s ASP 167 N -6.01 -0.23 0.46 0.86 2.15 -1.26 -5.05 116.67 107.58 2hgh s ASP 167 Ca -0.01 0.34 0.19 0.00 0.43 0.00 0.00 52.55 53.50 2hgh s ASP 167 Cb 0.11 0.46 1.10 0.00 -0.30 0.00 0.00 42.92 44.29 2hgh s ASP 167 CO 0.58 -0.24 1.97 -0.78 -0.17 0.00 0.00 175.17 176.54 2hgh h ASP 168 N 4.95 0.00 -0.51 -0.34 3.58 -1.96 -2.51 116.42 119.63 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 1.19 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.24 2hgh h ASP 168 CO 0.36 0.21 0.00 -1.20 -2.88 0.00 0.00 179.24 175.72 2hgh n SER 169 N -3.98 4.45 -4.95 2.28 7.64 -1.26 -4.91 113.62 112.89 2hgh n SER 169 Ca -0.02 -2.56 -0.23 0.00 1.01 0.00 0.00 58.87 57.07 2hgh n SER 169 Cb 0.29 -0.59 -0.02 0.00 -1.01 0.00 0.00 64.21 62.88 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 -1.47 0.00 -4.77 0.00 3.41 -1.26 -4.97 113.62 104.56 2hgh n SER 171 Ca -0.06 -1.00 -0.40 0.00 -0.26 0.00 0.00 58.87 57.15 2hgh n SER 171 Cb 0.56 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.50 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 2.84 -0.11 7.33 2.19 -1.26 -4.84 117.98 124.13 2hgh s PHE 172 Ca 0.00 1.36 0.00 0.00 0.33 0.00 0.00 56.93 58.62 2hgh s PHE 172 Cb 0.00 -3.76 0.02 0.00 -1.31 0.00 0.00 43.02 37.97 2hgh s PHE 172 CO 0.00 -2.23 -0.10 0.08 1.83 0.00 0.00 175.22 174.80 2hgh s VAL 173 N -1.18 1.17 0.00 3.12 1.01 -1.26 -0.60 120.40 122.66 2hgh s VAL 173 Ca 0.53 -0.41 -0.24 0.00 0.00 0.00 0.00 61.98 61.86 2hgh s VAL 173 Cb -0.41 -1.13 -0.05 0.00 0.00 0.00 0.00 36.38 34.79 2hgh s VAL 173 CO 0.54 0.38 0.72 -0.83 0.00 0.00 0.00 175.10 175.91 2hgh s GLY 174 N 1.39 2.71 0.33 4.51 0.00 -0.11 -4.80 107.32 111.35 2hgh s GLY 174 Ca -0.00 0.20 0.25 0.00 0.00 0.00 0.00 44.72 45.17 2hgh s GLY 174 CO -0.05 1.07 1.76 1.70 0.00 0.00 0.00 173.10 177.58 2hgh h LYS 175 N 6.00 0.00 -3.67 2.90 1.63 -1.89 0.11 116.57 121.64 2hgh h LYS 175 Ca -0.43 0.00 -0.07 0.00 -0.85 0.00 0.00 60.65 59.29 2hgh h LYS 175 Cb 1.20 0.00 -0.13 0.00 -0.60 0.00 0.00 32.23 32.70 2hgh h LYS 175 CO 0.72 0.00 -0.26 0.95 -3.45 0.00 0.00 179.45 177.41 2hgh s THR 176 N -3.46 0.11 0.28 1.00 -4.23 -1.26 -4.64 115.64 103.44 2hgh s THR 176 Ca 0.02 -1.01 -0.02 0.00 -1.18 0.00 0.00 61.69 59.50 2hgh s THR 176 Cb 0.09 -1.36 0.27 0.00 1.34 0.00 0.00 72.50 72.83 2hgh s THR 176 CO 0.36 -0.48 1.91 -0.25 -0.54 0.00 0.00 174.62 175.62 2hgh h TRP 177 N 2.58 1.14 -0.37 3.99 -0.00 -1.94 -1.99 115.95 119.36 2hgh h TRP 177 Ca -0.33 0.03 0.04 0.00 -0.00 0.00 0.00 58.89 58.62 2hgh h TRP 177 Cb 1.22 -0.38 -0.04 0.00 -0.00 0.00 0.00 29.16 29.97 2hgh h TRP 177 CO 0.39 0.62 0.14 1.79 -0.00 0.00 0.00 178.44 181.38 2hgh h THR 178 N 1.14 0.91 -0.43 2.65 1.35 -1.97 -1.53 112.91 115.03 2hgh h THR 178 Ca 0.39 -0.10 -0.02 0.00 -0.55 0.00 0.00 66.41 66.13 2hgh h THR 178 Cb 0.10 0.58 -0.02 0.00 -1.73 0.00 0.00 68.15 67.08 2hgh h THR 178 CO -0.14 0.06 0.17 -0.07 -0.25 0.00 0.00 175.52 175.29 2hgh h LEU 179 N 0.30 0.55 -0.08 3.87 3.38 -1.75 0.19 115.31 121.77 2hgh h LEU 179 Ca 0.17 -0.06 -0.03 0.00 0.09 0.00 0.00 57.88 58.05 2hgh h LEU 179 Cb 0.13 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.74 2hgh h LEU 179 CO -0.16 0.51 -0.06 0.22 0.09 0.00 0.00 178.44 179.04 2hgh h TYR 180 N 0.61 0.22 -0.85 1.13 3.20 -1.26 -0.99 116.97 119.03 2hgh h TYR 180 Ca 0.15 -0.06 0.01 0.00 3.14 0.00 0.00 58.73 61.97 2hgh h TYR 180 Cb 0.13 -0.05 -0.04 0.00 1.54 0.00 0.00 36.73 38.31 2hgh h TYR 180 CO 0.01 0.60 0.56 -0.07 -1.64 0.00 0.00 178.16 177.61 2hgh h LEU 181 N -0.23 0.97 -0.55 2.82 3.38 -0.75 0.14 115.31 121.09 2hgh h LEU 181 Ca 0.01 -0.02 -0.05 0.00 0.09 0.00 0.00 57.88 57.91 2hgh h LEU 181 Cb 0.55 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 2hgh h LEU 181 CO 0.02 0.70 0.14 0.11 0.09 0.00 0.00 178.44 179.50 2hgh h LYS 182 N 1.14 0.88 -0.70 1.13 1.57 -0.66 -1.27 116.57 118.67 2hgh h LYS 182 Ca 0.31 -0.21 -0.02 0.00 -1.87 0.00 0.00 60.65 58.87 2hgh h LYS 182 Cb -0.13 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.03 2hgh h LYS 182 CO -0.07 0.82 0.36 1.25 -0.57 0.00 0.00 179.45 181.24 2hgh h HIS 183 N 0.78 0.98 -0.46 -1.35 2.76 -0.52 -2.49 115.15 114.86 2hgh h HIS 183 Ca 0.17 -0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 58.30 2hgh h HIS 183 Cb 0.33 -0.31 -0.02 0.00 1.55 0.00 0.00 27.41 28.96 2hgh h HIS 183 CO 0.02 0.71 0.25 0.28 -1.30 0.00 0.00 177.93 177.89 2hgh h VAL 184 N 0.97 1.17 -0.28 5.26 2.07 -0.50 -0.08 116.25 124.85 2hgh h VAL 184 Ca 0.24 -0.44 -0.04 0.00 0.82 0.00 0.00 66.70 67.29 2hgh h VAL 184 Cb 0.07 0.62 -0.02 0.00 -1.52 0.00 0.00 31.29 30.45 2hgh h VAL 184 CO -0.04 0.18 0.02 0.00 0.02 0.00 0.00 177.57 177.75 2hgh h ALA 185 N 1.09 1.52 0.00 1.67 0.00 -0.97 0.66 119.26 123.23 2hgh h ALA 185 Ca 0.16 -0.15 -0.24 0.00 0.00 0.00 0.00 54.91 54.68 2hgh h ALA 185 Cb 0.06 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.69 2hgh h ALA 185 CO -0.02 0.35 -1.52 0.93 0.00 0.00 0.00 179.25 178.99 2hgh h GLU 186 N 0.40 0.00 0.00 0.00 5.08 -1.15 -3.32 114.58 115.60 2hgh h GLU 186 Ca 0.09 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 2hgh h GLU 186 Cb 0.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.49 2hgh h GLU 186 CO 0.00 0.44 -1.39 0.00 -1.00 0.00 0.00 179.01 177.06 2hgh n HIS 188 N -1.80 0.00 -4.16 0.00 8.25 0.18 -5.04 115.22 112.64 2hgh n HIS 188 Ca -0.02 -0.16 -0.15 0.00 -0.26 0.00 0.00 57.72 57.14 2hgh n HIS 188 Cb 0.23 -0.02 -0.07 0.00 1.12 0.00 0.00 29.99 31.24 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 -0.36 1.61 0.00 -0.41 -0.21 -0.93 -4.95 119.66 114.41 2hgh s GLN 189 Ca 0.01 -1.73 0.00 0.00 0.02 0.00 0.00 55.36 53.67 2hgh s GLN 189 Cb 0.01 0.36 0.00 0.00 1.00 0.00 0.00 33.01 34.38 2hgh s GLN 189 CO 0.00 -0.61 0.00 -3.47 -2.12 0.00 0.00 175.29 169.09