#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iie s GLY 119 N 0.00 -0.45 0.14 2.72 0.00 -1.26 -5.17 107.32 103.31 1iie s GLY 119 Ca 0.00 1.80 -0.24 0.00 0.00 0.00 0.00 44.72 46.28 1iie s GLY 119 CO 0.00 1.77 1.04 0.21 0.00 0.00 0.00 173.10 176.12 1iie s ASN 120 N 1.06 -0.07 0.48 1.64 2.47 -1.26 -5.00 114.94 114.26 1iie s ASN 120 Ca -0.06 -0.50 0.32 0.00 0.42 0.00 0.00 52.86 53.05 1iie s ASN 120 Cb -0.06 0.45 1.50 0.00 -1.45 0.00 0.00 41.25 41.69 1iie s ASN 120 CO -0.10 -0.86 1.97 0.24 -3.72 0.00 0.00 177.10 174.63 1iie h MET 121 N 2.00 0.00 -1.00 0.43 2.86 -2.02 -2.94 114.93 114.26 1iie h MET 121 Ca -0.26 0.00 0.29 0.00 -2.06 0.00 0.00 59.70 57.67 1iie h MET 121 Cb 1.22 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.84 1iie h MET 121 CO 0.31 0.00 0.82 1.15 1.06 0.00 0.00 176.91 180.25 1iie h THR 122 N 0.00 0.33 -0.42 2.22 2.02 -1.97 0.53 112.91 115.62 1iie h THR 122 Ca 0.00 0.00 -0.11 0.00 0.77 0.00 0.00 66.41 67.07 1iie h THR 122 Cb 0.30 0.40 -0.02 0.00 -1.74 0.00 0.00 68.15 67.09 1iie h THR 122 CO 0.00 0.00 -0.19 -0.33 0.37 0.00 0.00 175.52 175.37 1iie h GLU 123 N 0.00 0.81 0.00 6.66 5.08 -1.93 1.32 114.58 126.52 1iie h GLU 123 Ca 0.47 -0.32 -0.08 0.00 -1.00 0.00 0.00 59.36 58.44 1iie h GLU 123 Cb 2.12 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 31.31 1iie h GLU 123 CO -0.00 0.94 -0.38 -0.44 -1.00 0.00 0.00 179.01 178.13 1iie h ASP 124 N 0.71 0.00 0.86 1.42 5.19 -0.19 1.24 116.42 125.64 1iie h ASP 124 Ca 0.10 0.00 -0.17 0.00 -0.62 0.00 0.00 57.03 56.35 1iie h ASP 124 Cb 0.71 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 40.19 1iie h ASP 124 CO 0.05 0.38 -1.24 -0.74 -3.12 0.00 0.00 179.24 174.58 1iie h HIS 125 N 0.00 0.00 0.09 4.55 2.76 -0.73 -2.43 115.15 119.39 1iie h HIS 125 Ca -0.00 0.00 -0.32 0.00 -2.20 0.00 0.00 60.37 57.85 1iie h HIS 125 Cb 0.99 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 29.93 1iie h HIS 125 CO 0.00 0.62 -1.69 0.28 -1.30 0.00 0.00 177.93 175.84 1iie h VAL 126 N 0.00 0.95 -0.59 5.26 2.07 0.19 -2.64 116.25 121.48 1iie h VAL 126 Ca -0.13 -2.66 -0.04 0.00 0.82 0.00 0.00 66.70 64.68 1iie h VAL 126 Cb 1.59 2.61 -0.03 0.00 -1.52 0.00 0.00 31.29 33.94 1iie h VAL 126 CO 0.06 0.76 0.21 -0.03 0.02 0.00 0.00 177.57 178.58 1iie h MET 127 N 0.05 0.91 -0.53 1.57 -1.53 0.15 -0.61 114.93 114.94 1iie h MET 127 Ca -0.30 -0.18 -0.09 0.00 -3.44 0.00 0.00 59.70 55.69 1iie h MET 127 Cb 2.02 -0.14 -0.02 0.00 -0.55 0.00 0.00 31.60 32.91 1iie h MET 127 CO 0.12 0.80 -0.03 1.25 0.14 0.00 0.00 176.91 179.19 1iie h HIS 128 N 0.83 1.00 0.00 1.39 6.17 -1.52 0.71 115.15 123.74 1iie h HIS 128 Ca 0.19 -0.17 0.00 0.00 0.71 0.00 0.00 60.37 61.11 1iie h HIS 128 Cb 0.26 -0.26 0.00 0.00 2.52 0.00 0.00 27.41 29.92 1iie h HIS 128 CO 0.02 0.91 0.00 -0.07 0.71 0.00 0.00 177.93 179.50 1iie h LEU 129 N 0.84 0.00 0.00 0.26 -0.00 -0.98 -1.38 115.31 114.06 1iie h LEU 129 Ca 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.03 1iie h LEU 129 Cb 0.54 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.20 1iie h LEU 129 CO 0.03 0.00 -1.90 0.18 -0.00 0.00 0.00 178.44 176.75 1iie n LEU 130 N -3.05 0.08 0.01 1.67 4.77 -0.25 -3.19 117.00 117.04 1iie n LEU 130 Ca -0.01 -0.04 0.13 0.00 -0.03 0.00 0.00 56.01 56.06 1iie n LEU 130 Cb 0.17 0.00 0.52 0.00 -2.33 0.00 0.00 43.42 41.78 1iie n LEU 130 CO 0.23 0.02 0.84 0.00 -1.33 0.00 0.00 177.39 177.15 1iie n GLN 131 N -2.18 0.04 -0.03 3.23 6.02 0.23 -2.64 117.38 122.05 1iie n GLN 131 Ca -0.03 0.03 -0.04 0.00 -0.01 0.00 0.00 57.00 56.95 1iie n GLN 131 Cb 0.54 -1.54 -0.04 0.00 1.02 0.00 0.00 30.24 30.21 1iie n GLN 131 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 1iie n ASN 132 N -1.61 3.46 0.11 1.08 5.15 -0.91 -4.59 115.26 117.96 1iie n ASN 132 Ca 0.06 -0.01 -0.03 0.00 -0.60 0.00 0.00 54.58 54.00 1iie n ASN 132 Cb 0.35 0.42 0.09 0.00 -0.53 0.00 0.00 39.78 40.11 1iie n ASN 132 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1iie h ALA 133 N 0.21 0.79 -3.30 5.20 0.00 -1.66 -3.42 119.26 117.07 1iie h ALA 133 Ca -0.17 -0.66 -0.52 0.00 0.00 0.00 0.00 54.91 53.57 1iie h ALA 133 Cb 1.35 -0.12 -0.35 0.00 0.00 0.00 0.00 17.79 18.67 1iie h ALA 133 CO -0.00 0.91 -0.81 -0.51 0.00 0.00 0.00 179.25 178.84 1iie s ASP 134 N -6.79 1.94 0.00 0.00 1.01 -1.08 -4.99 116.67 106.75 1iie s ASP 134 Ca -0.01 -0.29 0.20 0.00 0.71 0.00 0.00 52.55 53.16 1iie s ASP 134 Cb 0.12 -0.82 1.17 0.00 1.01 0.00 0.00 42.92 44.40 1iie s ASP 134 CO 0.78 -0.05 1.62 -0.81 0.21 0.00 0.00 175.17 176.92 1iie n PRO 135 N 4.38 0.78 -1.20 8.23 -0.04 -1.26 -3.31 135.00 142.58 1iie n PRO 135 Ca -0.18 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.31 1iie n PRO 135 Cb 0.51 -1.39 0.11 0.00 -0.04 0.00 0.00 33.50 32.69 1iie n PRO 135 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1iie n LEU 136 N -0.89 2.08 -4.61 1.53 4.77 -1.26 -5.03 117.00 113.59 1iie n LEU 136 Ca 0.15 -3.12 -0.41 0.00 -0.03 0.00 0.00 56.01 52.60 1iie n LEU 136 Cb 0.07 -0.24 -0.07 0.00 -2.33 0.00 0.00 43.42 40.85 1iie n LEU 136 CO 0.11 1.06 0.35 -0.54 -1.33 0.00 0.00 177.39 177.04 1iie s LYS 137 N -1.96 4.00 0.03 3.23 -0.14 -1.21 -5.04 119.74 118.65 1iie s LYS 137 Ca 0.37 0.37 0.07 0.00 -1.36 0.00 0.00 55.97 55.42 1iie s LYS 137 Cb 0.38 -3.69 -0.02 0.00 -1.68 0.00 0.00 37.83 32.82 1iie s LYS 137 CO -0.10 -0.47 -0.20 0.08 -0.76 0.00 0.00 175.35 173.90 1iie s VAL 138 N 2.49 1.64 -0.50 3.17 1.01 -1.26 -4.86 120.40 122.09 1iie s VAL 138 Ca 0.24 -1.10 0.04 0.00 0.00 0.00 0.00 61.98 61.17 1iie s VAL 138 Cb -0.15 -1.41 0.17 0.00 0.00 0.00 0.00 36.38 34.99 1iie s VAL 138 CO 0.10 0.27 0.38 -0.31 0.00 0.00 0.00 175.10 175.54 1iie s TYR 139 N -0.71 1.90 0.69 5.22 1.51 -1.26 -5.07 117.35 119.63 1iie s TYR 139 Ca 0.07 -2.62 -0.17 0.00 -1.01 0.00 0.00 57.07 53.35 1iie s TYR 139 Cb -0.08 -1.53 -0.00 0.00 -0.11 0.00 0.00 41.96 40.23 1iie s TYR 139 CO 0.01 -0.74 1.05 -0.35 -1.11 0.00 0.00 175.55 174.41 1iie n PRO 140 N 2.66 0.68 -1.86 -1.71 -0.04 -1.26 -4.80 135.00 128.67 1iie n PRO 140 Ca 0.25 0.29 -0.36 0.00 -0.04 0.00 0.00 63.50 63.63 1iie n PRO 140 Cb 0.43 -2.29 -0.03 0.00 -0.04 0.00 0.00 33.50 31.56 1iie n PRO 140 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 1iie s PRO 141 N -3.29 2.40 -1.45 0.54 0.04 -1.26 -4.83 135.00 127.16 1iie s PRO 141 Ca 0.76 0.84 -0.08 0.00 0.04 0.00 0.00 61.00 62.56 1iie s PRO 141 Cb -0.36 -4.50 0.03 0.00 0.04 0.00 0.00 34.50 29.71 1iie s PRO 141 CO 0.47 -3.01 2.59 1.28 0.04 0.00 0.00 177.00 178.37 1iie n LEU 142 N 14.10 8.23 0.28 -3.56 4.77 -1.26 -4.60 117.00 134.96 1iie n LEU 142 Ca 0.28 -4.63 0.19 0.00 -0.03 0.00 0.00 56.01 51.81 1iie n LEU 142 Cb 0.53 -1.46 0.89 0.00 -2.33 0.00 0.00 43.42 41.05 1iie n LEU 142 CO 0.70 1.99 1.05 0.11 -1.33 0.00 0.00 177.39 179.91 1iie h LYS 143 N 4.88 0.00 0.00 3.23 1.79 -1.98 -3.43 116.57 121.07 1iie h LYS 143 Ca 0.75 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 59.22 1iie h LYS 143 Cb 0.32 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.97 1iie h LYS 143 CO 1.63 0.00 0.00 0.41 -1.08 0.00 0.00 179.45 180.41 1iie n GLY 144 N -0.57 -3.19 3.94 3.86 0.00 -1.26 -4.98 105.19 102.98 1iie n GLY 144 Ca -0.01 -1.18 -0.24 0.00 0.00 0.00 0.00 46.02 44.59 1iie n GLY 144 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1iie s SER 145 N -1.93 5.77 0.31 1.61 0.01 -1.26 -4.65 113.70 113.55 1iie s SER 145 Ca 0.00 0.42 0.07 0.00 1.31 0.00 0.00 55.95 57.75 1iie s SER 145 Cb 0.00 -1.59 0.77 0.00 0.21 0.00 0.00 66.02 65.41 1iie s SER 145 CO 0.00 -0.81 1.77 0.15 0.41 0.00 0.00 173.24 174.76 1iie h PHE 146 N 0.23 1.06 0.00 2.43 3.57 -1.94 2.46 116.94 124.75 1iie h PHE 146 Ca -0.46 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.08 1iie h PHE 146 Cb 1.25 -0.32 0.00 0.00 2.79 0.00 0.00 35.95 39.68 1iie h PHE 146 CO 0.46 0.21 0.00 -1.00 -2.23 0.00 0.00 178.31 175.75 1iie h PRO 147 N 0.73 0.00 0.10 6.41 0.13 -1.98 0.17 132.00 137.56 1iie h PRO 147 Ca 0.59 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 65.39 1iie h PRO 147 Cb 0.96 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.07 1iie h PRO 147 CO -0.40 0.00 -1.79 0.93 -0.23 0.00 0.00 178.00 176.51 1iie h GLU 148 N 0.00 0.20 -0.21 0.86 4.39 -0.10 -2.78 114.58 116.94 1iie h GLU 148 Ca 0.00 -0.35 -0.00 0.00 0.34 0.00 0.00 59.36 59.35 1iie h GLU 148 Cb 0.67 0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 29.44 1iie h GLU 148 CO 0.00 1.17 0.13 -0.91 -1.16 0.00 0.00 179.01 178.23 1iie h ASN 149 N -0.21 0.24 0.00 1.42 2.35 0.40 1.41 115.58 121.19 1iie h ASN 149 Ca -0.40 -0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 55.34 1iie h ASN 149 Cb 1.84 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 40.15 1iie h ASN 149 CO 0.01 0.19 -0.02 -0.07 -1.65 0.00 0.00 177.43 175.89 1iie h LEU 150 N 0.28 0.01 -1.77 1.61 3.38 -0.75 -1.09 115.31 116.98 1iie h LEU 150 Ca 0.08 -0.94 -0.03 0.00 0.09 0.00 0.00 57.88 57.08 1iie h LEU 150 Cb -0.01 -0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.73 1iie h LEU 150 CO -0.01 0.95 -0.14 0.03 0.09 0.00 0.00 178.44 179.35 1iie h ARG 151 N -0.92 0.00 0.10 1.13 2.47 -1.18 0.17 114.38 116.15 1iie h ARG 151 Ca -0.00 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.71 1iie h ARG 151 Cb 0.95 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.28 1iie h ARG 151 CO 0.00 0.14 -0.05 1.25 0.56 0.00 0.00 179.97 181.88 1iie h HIS 152 N 0.00 -0.12 -0.88 3.04 2.76 0.19 1.26 115.15 121.40 1iie h HIS 152 Ca -0.00 -0.00 0.15 0.00 -2.20 0.00 0.00 60.37 58.31 1iie h HIS 152 Cb 0.41 0.04 -0.07 0.00 1.55 0.00 0.00 27.41 29.34 1iie h HIS 152 CO 0.00 0.40 0.57 -0.07 -1.30 0.00 0.00 177.93 177.52 1iie h LEU 153 N -0.81 0.62 0.22 0.26 3.38 -0.74 1.98 115.31 120.22 1iie h LEU 153 Ca -0.01 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 1iie h LEU 153 Cb 0.57 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.25 1iie h LEU 153 CO 0.02 0.31 -0.11 0.50 0.09 0.00 0.00 178.44 179.25 1iie h LYS 154 N 0.65 -0.28 0.00 1.13 3.11 -0.50 1.21 116.57 121.88 1iie h LYS 154 Ca 0.44 0.02 0.00 0.00 -2.81 0.00 0.00 60.65 58.30 1iie h LYS 154 Cb 0.76 0.06 0.00 0.00 -1.00 0.00 0.00 32.23 32.06 1iie h LYS 154 CO -0.20 0.10 0.00 0.09 -2.81 0.00 0.00 179.45 176.63 1iie n ASN 155 N -4.99 0.00 0.01 4.20 4.13 0.43 -4.11 115.26 114.93 1iie n ASN 155 Ca -0.08 0.29 -0.02 0.00 1.68 0.00 0.00 54.58 56.45 1iie n ASN 155 Cb 0.26 -0.41 -0.01 0.00 -1.54 0.00 0.00 39.78 38.09 1iie n ASN 155 CO 0.00 0.00 0.00 0.41 0.28 0.00 0.00 177.26 177.95 1iie n THR 156 N -1.41 1.04 -0.30 3.41 -1.04 0.66 -5.01 114.28 111.64 1iie n THR 156 Ca 0.06 0.30 -0.28 0.00 -2.04 0.00 0.00 64.05 62.09 1iie n THR 156 Cb 0.18 -1.63 0.27 0.00 -1.82 0.00 0.00 70.33 67.33 1iie n THR 156 CO 0.00 0.00 0.00 1.15 -0.64 0.00 0.00 175.07 175.58 1iie n MET 157 N -3.48 -4.23 -1.96 -2.82 0.00 0.41 -4.83 117.12 100.22 1iie n MET 157 Ca -0.03 -1.25 -0.42 0.00 0.00 0.00 0.00 57.70 56.00 1iie n MET 157 Cb 0.09 -1.88 -0.03 0.00 0.00 0.00 0.00 33.22 31.41 1iie n MET 157 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 175.97 174.76 1iie s GLU 158 N -4.73 4.22 0.50 3.17 0.41 -1.26 -4.78 118.70 116.22 1iie s GLU 158 Ca 0.63 2.32 0.31 0.00 -0.41 0.00 0.00 54.97 57.82 1iie s GLU 158 Cb -0.13 -3.34 1.43 0.00 -1.78 0.00 0.00 34.13 30.31 1iie s GLU 158 CO 0.54 -0.64 1.79 1.15 -0.49 0.00 0.00 175.26 177.61 1iie h THR 159 N 4.36 0.43 0.00 3.63 2.02 -1.88 1.63 112.91 123.11 1iie h THR 159 Ca -0.42 -0.04 -0.18 0.00 0.77 0.00 0.00 66.41 66.54 1iie h THR 159 Cb 1.20 0.31 -0.03 0.00 -1.74 0.00 0.00 68.15 67.90 1iie h THR 159 CO 0.92 0.02 -0.94 -0.29 0.37 0.00 0.00 175.52 175.60 1iie h ILE 160 N 0.11 1.20 0.00 3.11 2.10 -1.95 0.85 117.51 122.93 1iie h ILE 160 Ca 0.58 -2.78 -0.17 0.00 1.08 0.00 0.00 64.86 63.57 1iie h ILE 160 Cb 2.06 2.57 -0.02 0.00 -1.09 0.00 0.00 36.82 40.34 1iie h ILE 160 CO -0.10 0.68 -0.82 0.44 -1.08 0.00 0.00 178.15 177.27 1iie h ASP 161 N 0.00 0.04 0.17 2.19 5.19 0.12 -0.96 116.42 123.17 1iie h ASP 161 Ca -0.05 -0.03 -0.20 0.00 -0.62 0.00 0.00 57.03 56.12 1iie h ASP 161 Cb 1.64 -0.01 0.00 0.00 0.18 0.00 0.00 39.33 41.14 1iie h ASP 161 CO 0.09 0.84 -0.78 -0.25 -3.12 0.00 0.00 179.24 176.03 1iie h TRP 162 N 0.02 0.69 -0.42 4.55 2.91 0.20 1.01 115.95 124.90 1iie h TRP 162 Ca -0.01 -0.32 0.04 0.00 1.13 0.00 0.00 58.89 59.73 1iie h TRP 162 Cb 1.45 -0.10 -0.04 0.00 -0.51 0.00 0.00 29.16 29.96 1iie h TRP 162 CO 0.00 1.10 0.20 0.87 -1.03 0.00 0.00 178.44 179.59 1iie h LYS 163 N 0.33 0.40 -0.21 2.65 1.79 0.12 1.24 116.57 122.88 1iie h LYS 163 Ca -0.04 -0.02 -0.17 0.00 -2.18 0.00 0.00 60.65 58.23 1iie h LYS 163 Cb 1.38 -0.09 -0.00 0.00 -1.58 0.00 0.00 32.23 31.93 1iie h LYS 163 CO 0.14 0.26 -0.56 0.28 -1.08 0.00 0.00 179.45 178.49 1iie h VAL 164 N 0.41 1.31 -0.49 0.50 2.07 -1.00 -0.70 116.25 118.34 1iie h VAL 164 Ca 0.18 -1.79 -0.13 0.00 0.82 0.00 0.00 66.70 65.78 1iie h VAL 164 Cb 0.10 1.74 -0.01 0.00 -1.52 0.00 0.00 31.29 31.60 1iie h VAL 164 CO -0.14 0.56 -0.20 0.15 0.02 0.00 0.00 177.57 177.97 1iie h PHE 165 N 0.50 1.14 0.16 1.57 3.57 0.22 0.59 116.94 124.68 1iie h PHE 165 Ca 0.01 -0.27 -0.01 0.00 3.53 0.00 0.00 57.97 61.23 1iie h PHE 165 Cb 1.12 -0.27 0.00 0.00 2.79 0.00 0.00 35.95 39.60 1iie h PHE 165 CO 0.05 1.09 -0.08 0.93 -2.23 0.00 0.00 178.31 178.08 1iie h GLU 166 N 0.86 -0.20 -0.26 1.11 4.39 0.16 0.61 114.58 121.25 1iie h GLU 166 Ca 0.12 0.01 0.03 0.00 0.34 0.00 0.00 59.36 59.86 1iie h GLU 166 Cb 0.77 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.46 1iie h GLU 166 CO 0.06 -0.02 0.18 0.66 -1.16 0.00 0.00 179.01 178.73 1iie h SER 167 N -0.36 0.20 -0.46 1.42 4.64 -0.95 0.68 113.55 118.72 1iie h SER 167 Ca -0.02 -0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.18 1iie h SER 167 Cb 0.28 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 62.31 1iie h SER 167 CO 0.04 0.14 -0.18 -0.25 -0.87 0.00 0.00 176.83 175.70 1iie h TRP 168 N 0.23 1.07 -0.20 4.77 7.01 0.15 0.41 115.95 129.40 1iie h TRP 168 Ca 0.11 -0.25 -0.15 0.00 2.11 0.00 0.00 58.89 60.71 1iie h TRP 168 Cb 0.14 -0.25 -0.01 0.00 -2.10 0.00 0.00 29.16 26.94 1iie h TRP 168 CO -0.00 1.05 -0.50 0.52 -2.79 0.00 0.00 178.44 176.73 1iie h MET 169 N 0.78 0.53 -0.31 2.65 2.86 0.25 0.43 114.93 122.12 1iie h MET 169 Ca 0.11 -0.31 -0.05 0.00 -2.06 0.00 0.00 59.70 57.39 1iie h MET 169 Cb 0.75 0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.43 1iie h MET 169 CO 0.06 0.91 -0.00 1.25 1.06 0.00 0.00 176.91 180.19 1iie h HIS 170 N 0.42 0.59 -0.21 -0.22 -0.00 0.62 0.86 115.15 117.21 1iie h HIS 170 Ca 0.02 -0.10 -0.03 0.00 -0.00 0.00 0.00 60.37 60.25 1iie h HIS 170 Cb 1.02 -0.15 -0.01 0.00 -0.00 0.00 0.00 27.41 28.27 1iie h HIS 170 CO 0.04 0.68 0.00 0.45 -0.00 0.00 0.00 177.93 179.10 1iie h HIS 171 N 0.34 0.41 -0.89 5.26 -0.00 -0.02 0.27 115.15 120.52 1iie h HIS 171 Ca 0.09 -0.07 0.15 0.00 -0.00 0.00 0.00 60.37 60.53 1iie h HIS 171 Cb 0.44 -0.11 -0.09 0.00 -0.00 0.00 0.00 27.41 27.65 1iie h HIS 171 CO 0.04 0.56 0.50 2.35 -0.00 0.00 0.00 177.93 181.38 1iie h TRP 172 N 0.14 0.88 0.47 2.45 7.01 0.08 -0.43 115.95 126.55 1iie h TRP 172 Ca 0.06 0.03 -0.02 0.00 2.11 0.00 0.00 58.89 61.07 1iie h TRP 172 Cb 0.40 -0.26 0.00 0.00 -2.10 0.00 0.00 29.16 27.21 1iie h TRP 172 CO 0.03 0.24 -0.23 1.25 -2.79 0.00 0.00 178.44 176.95 1iie h LEU 173 N 0.71 -0.54 -0.08 0.65 5.85 0.17 -2.38 115.31 119.70 1iie h LEU 173 Ca 0.48 -0.08 0.02 0.00 0.84 0.00 0.00 57.88 59.14 1iie h LEU 173 Cb 0.65 0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.78 1iie h LEU 173 CO -0.34 -0.17 -0.33 -0.07 -0.34 0.00 0.00 178.44 177.19 1iie h LEU 174 N -0.96 -1.05 -0.58 2.25 3.38 0.02 0.12 115.31 118.49 1iie h LEU 174 Ca -0.06 0.12 0.05 0.00 0.09 0.00 0.00 57.88 58.08 1iie h LEU 174 Cb 0.59 0.41 -0.07 0.00 0.09 0.00 0.00 40.66 41.68 1iie h LEU 174 CO 0.11 -0.30 -0.34 0.33 0.09 0.00 0.00 178.44 178.33 1iie n PHE 175 N -4.31 -0.26 -0.13 1.13 -0.00 -0.22 0.16 117.46 113.84 1iie n PHE 175 Ca -0.04 0.73 0.12 0.00 -0.00 0.00 0.00 57.45 58.26 1iie n PHE 175 Cb 0.23 -0.53 0.47 0.00 -0.00 0.00 0.00 39.48 39.66 1iie n PHE 175 CO 0.00 0.00 0.00 0.93 -0.00 0.00 0.00 176.76 177.69 1iie h GLU 176 N 0.00 0.47 0.27 -4.13 3.07 -1.02 1.02 114.58 114.25 1iie h GLU 176 Ca 0.09 -0.03 -0.01 0.00 -0.50 0.00 0.00 59.36 58.91 1iie h GLU 176 Cb 0.24 -0.11 0.00 0.00 -0.84 0.00 0.00 28.75 28.05 1iie h GLU 176 CO -0.55 0.31 -0.13 1.98 -1.40 0.00 0.00 179.01 179.22 1iie h MET 177 N 0.48 -0.35 -0.86 2.33 4.05 0.35 -0.99 114.93 119.95 1iie h MET 177 Ca 0.31 0.02 0.17 0.00 -0.28 0.00 0.00 59.70 59.92 1iie h MET 177 Cb 0.57 0.08 -0.10 0.00 -0.80 0.00 0.00 31.60 31.35 1iie h MET 177 CO -0.10 -0.22 0.42 0.66 0.23 0.00 0.00 176.91 177.90 1iie h SER 178 N -1.09 0.47 -0.01 1.39 4.64 0.19 0.63 113.55 119.77 1iie h SER 178 Ca -0.04 0.11 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 1iie h SER 178 Cb 0.28 0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.42 1iie h SER 178 CO 0.06 0.16 0.00 -2.11 -0.87 0.00 0.00 176.83 174.07 1iie n ARG 179 N -4.92 1.03 -1.17 4.77 -4.01 0.35 -4.24 116.66 108.47 1iie n ARG 179 Ca 0.18 -0.04 -0.17 0.00 -1.04 0.00 0.00 57.85 56.78 1iie n ARG 179 Cb 0.49 -1.29 -0.13 0.00 -3.04 0.00 0.00 32.46 28.49 1iie n ARG 179 CO 0.00 0.00 0.00 1.58 -3.04 0.00 0.00 177.63 176.17 1iie n HIS 180 N -0.74 0.57 0.12 2.89 -0.00 0.22 -4.33 115.22 113.94 1iie n HIS 180 Ca 0.14 -1.69 0.07 0.00 0.46 0.00 0.00 57.72 56.70 1iie n HIS 180 Cb 0.07 -1.56 0.02 0.00 -0.12 0.00 0.00 29.99 28.40 1iie n HIS 180 CO 0.00 0.00 0.00 0.77 0.46 0.00 0.00 176.34 177.57 1iie h SER 181 N 3.07 0.00 0.01 0.26 0.02 -1.80 -3.38 113.55 111.74 1iie h SER 181 Ca 0.27 0.00 -0.40 0.00 -0.84 0.00 0.00 61.79 60.82 1iie h SER 181 Cb 1.23 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 63.71 1iie h SER 181 CO 0.48 0.23 -2.34 0.18 -1.14 0.00 0.00 176.83 174.24 1iie n LEU 182 N -2.92 2.39 -4.44 5.07 4.77 -1.26 -4.67 117.00 115.94 1iie n LEU 182 Ca -0.01 0.16 -0.36 0.00 -0.03 0.00 0.00 56.01 55.77 1iie n LEU 182 Cb 0.65 -0.90 -0.04 0.00 -2.33 0.00 0.00 43.42 40.80 1iie n LEU 182 CO 0.39 0.71 1.80 -0.62 -1.33 0.00 0.00 177.39 178.34 1iie n GLU 183 N -3.83 2.23 -4.19 3.23 -0.58 -1.26 -4.87 120.64 111.36 1iie n GLU 183 Ca -0.47 -2.70 -0.12 0.00 -0.42 0.00 0.00 57.16 53.44 1iie n GLU 183 Cb 0.92 -3.55 -0.10 0.00 -0.57 0.00 0.00 31.44 28.15 1iie n GLU 183 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 1iie s GLN 184 N 5.35 1.26 -0.14 3.49 -0.21 -1.26 -4.97 119.66 123.17 1iie s GLN 184 Ca 0.61 -1.64 -0.10 0.00 0.02 0.00 0.00 55.36 54.26 1iie s GLN 184 Cb 0.03 0.29 0.04 0.00 1.00 0.00 0.00 33.01 34.37 1iie s GLN 184 CO 0.10 -0.42 0.20 1.63 -2.12 0.00 0.00 175.29 174.67 1iie n LYS 185 N -0.30 -3.86 -1.63 2.91 5.02 -1.26 -4.96 118.16 114.08 1iie n LYS 185 Ca 0.02 2.96 -0.30 0.00 -2.02 0.00 0.00 58.31 58.98 1iie n LYS 185 Cb 0.65 -4.09 0.09 0.00 -0.02 0.00 0.00 35.03 31.66 1iie n LYS 185 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1iie s PRO 186 N -0.52 2.14 -0.46 1.97 0.04 -1.26 -4.99 135.00 131.92 1iie s PRO 186 Ca -0.23 0.56 0.03 0.00 0.04 0.00 0.00 61.00 61.40 1iie s PRO 186 Cb 0.02 -1.93 0.45 0.00 0.04 0.00 0.00 34.50 33.07 1iie s PRO 186 CO 0.61 -1.56 1.53 -2.37 0.04 0.00 0.00 177.00 175.26 1iie n THR 187 N -3.38 2.97 -3.63 1.26 5.66 -1.26 -4.90 114.28 111.01 1iie n THR 187 Ca 0.07 -3.79 -0.29 0.00 -3.05 0.00 0.00 64.05 56.99 1iie n THR 187 Cb 0.57 -1.16 -0.15 0.00 -1.55 0.00 0.00 70.33 68.04 1iie n THR 187 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 175.07 170.21 1iie s ASP 188 N -2.84 3.74 0.42 1.09 1.01 -1.26 -5.13 116.67 113.70 1iie s ASP 188 Ca 0.56 -1.43 0.08 0.00 0.71 0.00 0.00 52.55 52.47 1iie s ASP 188 Cb 0.45 -0.58 0.00 0.00 1.01 0.00 0.00 42.92 43.80 1iie s ASP 188 CO -0.01 -0.43 0.52 0.00 0.21 0.00 0.00 175.17 175.46 1iie s ALA 189 N 1.88 4.41 0.83 5.23 0.00 -1.26 -5.10 121.76 127.75 1iie s ALA 189 Ca 0.09 -1.73 -0.11 0.00 0.00 0.00 0.00 51.96 50.21 1iie s ALA 189 Cb -0.17 -1.48 0.09 0.00 0.00 0.00 0.00 23.12 21.57 1iie s ALA 189 CO -0.31 -0.27 1.09 -1.25 0.00 0.00 0.00 175.76 175.02 1iie s PRO 190 N -4.30 1.82 0.82 0.00 0.04 -1.26 -5.03 135.00 127.10 1iie s PRO 190 Ca 0.53 0.85 -0.11 0.00 0.04 0.00 0.00 61.00 62.31 1iie s PRO 190 Cb -0.08 -1.87 0.08 0.00 0.04 0.00 0.00 34.50 32.67 1iie s PRO 190 CO 0.32 -1.86 1.09 -1.25 0.04 0.00 0.00 177.00 175.34 1iie s PRO 191 N -5.00 1.87 0.00 0.56 0.04 -1.26 -5.32 135.00 125.89 1iie s PRO 191 Ca 0.62 0.74 0.12 0.00 0.04 0.00 0.00 61.00 62.52 1iie s PRO 191 Cb -0.16 -1.89 0.71 0.00 0.04 0.00 0.00 34.50 33.20 1iie s PRO 191 CO 0.56 -1.80 1.15 1.17 0.04 0.00 0.00 177.00 178.12