#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iie n GLY 119 N 0.00 -2.74 0.57 2.72 0.00 -1.26 -1.75 105.19 102.73 1iie n GLY 119 Ca 0.00 0.21 0.04 0.00 0.00 0.00 0.00 46.02 46.27 1iie n GLY 119 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1iie n ASN 120 N -2.16 1.62 0.00 1.61 4.05 -1.26 -4.84 115.26 114.28 1iie n ASN 120 Ca 0.00 -2.05 0.00 0.00 0.45 0.00 0.00 54.58 52.98 1iie n ASN 120 Cb 0.00 -0.24 0.00 0.00 1.23 0.00 0.00 39.78 40.77 1iie n ASN 120 CO 0.00 0.00 0.00 0.23 -3.05 0.00 0.00 177.26 174.44 1iie n MET 121 N 0.27 -0.17 0.06 1.20 2.81 -0.72 -4.35 117.12 116.23 1iie n MET 121 Ca 0.09 0.04 0.00 0.00 -1.81 0.00 0.00 57.70 56.02 1iie n MET 121 Cb 0.28 -3.30 0.00 0.00 -0.71 0.00 0.00 33.22 29.49 1iie n MET 121 CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89 1iie n THR 122 N -2.17 0.00 -0.07 2.03 -1.04 -1.26 -4.64 114.28 107.12 1iie n THR 122 Ca 0.00 0.00 0.25 0.00 -2.04 0.00 0.00 64.05 62.26 1iie n THR 122 Cb 0.04 0.00 0.72 0.00 -1.82 0.00 0.00 70.33 69.27 1iie n THR 122 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 1iie h GLU 123 N 0.00 0.00 0.00 -2.82 5.08 -1.97 1.99 114.58 116.86 1iie h GLU 123 Ca 0.00 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.18 1iie h GLU 123 Cb 0.00 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 1iie h GLU 123 CO 0.00 0.00 -0.87 -0.44 -1.00 0.00 0.00 179.01 176.70 1iie h ASP 124 N 0.00 0.00 0.93 1.42 5.19 -1.91 0.56 116.42 122.61 1iie h ASP 124 Ca 0.34 0.00 -0.06 0.00 -0.62 0.00 0.00 57.03 56.68 1iie h ASP 124 Cb 1.49 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.99 1iie h ASP 124 CO -0.00 0.87 -1.11 -0.74 -3.12 0.00 0.00 179.24 175.13 1iie h HIS 125 N 0.00 0.00 0.06 4.55 2.76 0.13 -2.92 115.15 119.74 1iie h HIS 125 Ca -0.01 0.00 -0.32 0.00 -2.20 0.00 0.00 60.37 57.84 1iie h HIS 125 Cb 1.56 0.00 -0.03 0.00 1.55 0.00 0.00 27.41 30.49 1iie h HIS 125 CO 0.00 0.22 -1.82 0.28 -1.30 0.00 0.00 177.93 175.31 1iie h VAL 126 N 0.00 0.77 -0.38 5.26 2.07 0.25 -2.68 116.25 121.55 1iie h VAL 126 Ca -0.06 -2.55 -0.08 0.00 0.82 0.00 0.00 66.70 64.82 1iie h VAL 126 Cb 1.22 2.48 -0.02 0.00 -1.52 0.00 0.00 31.29 33.46 1iie h VAL 126 CO 0.02 0.69 -0.11 -0.03 0.02 0.00 0.00 177.57 178.16 1iie h MET 127 N 0.04 0.66 -0.13 1.57 -1.53 0.04 -1.12 114.93 114.45 1iie h MET 127 Ca -0.34 -0.21 -0.19 0.00 -3.44 0.00 0.00 59.70 55.52 1iie h MET 127 Cb 2.02 -0.06 -0.00 0.00 -0.55 0.00 0.00 31.60 33.01 1iie h MET 127 CO 0.09 0.76 -0.70 0.45 0.14 0.00 0.00 176.91 177.65 1iie h HIS 128 N 0.60 0.73 0.00 1.39 3.86 -1.61 0.32 115.15 120.45 1iie h HIS 128 Ca 0.11 -0.31 -0.01 0.00 -1.16 0.00 0.00 60.37 59.00 1iie h HIS 128 Cb 0.54 -0.12 -0.00 0.00 1.06 0.00 0.00 27.41 28.89 1iie h HIS 128 CO 0.02 1.08 -0.06 -0.07 0.86 0.00 0.00 177.93 179.76 1iie h LEU 129 N 0.39 0.00 0.00 2.43 -0.00 -1.05 -1.91 115.31 115.17 1iie h LEU 129 Ca -0.03 0.00 -0.20 0.00 -0.00 0.00 0.00 57.88 57.65 1iie h LEU 129 Cb 1.28 0.00 -0.04 0.00 -0.00 0.00 0.00 40.66 41.90 1iie h LEU 129 CO 0.13 0.06 -1.96 0.18 -0.00 0.00 0.00 178.44 176.85 1iie n LEU 130 N -3.36 0.28 0.00 1.67 4.77 -0.48 -3.44 117.00 116.44 1iie n LEU 130 Ca -0.01 0.12 0.13 0.00 -0.03 0.00 0.00 56.01 56.22 1iie n LEU 130 Cb 0.21 0.22 0.64 0.00 -2.33 0.00 0.00 43.42 42.16 1iie n LEU 130 CO 0.27 0.24 0.94 0.00 -1.33 0.00 0.00 177.39 177.51 1iie n GLN 131 N -2.66 0.26 -0.06 3.23 6.02 0.11 -2.33 117.38 121.95 1iie n GLN 131 Ca -0.17 0.04 -0.07 0.00 -0.01 0.00 0.00 57.00 56.78 1iie n GLN 131 Cb 0.89 -1.50 -0.09 0.00 1.02 0.00 0.00 30.24 30.56 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 -1.36 2.31 0.08 1.08 5.15 -0.82 -4.50 115.26 117.22 1iie n ASN 132 Ca 0.11 -0.03 -0.06 0.00 -0.60 0.00 0.00 54.58 54.00 1iie n ASN 132 Cb 0.24 0.44 0.10 0.00 -0.53 0.00 0.00 39.78 40.04 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 0.39 0.80 -3.23 5.20 0.00 -1.58 -3.42 119.26 117.42 1iie h ALA 133 Ca -0.33 -0.57 -0.51 0.00 0.00 0.00 0.00 54.91 53.50 1iie h ALA 133 Cb 1.67 -0.08 -0.37 0.00 0.00 0.00 0.00 17.79 19.01 1iie h ALA 133 CO -0.01 0.76 -0.80 -0.51 0.00 0.00 0.00 179.25 178.69 1iie s ASP 134 N -6.90 2.01 0.00 0.00 1.01 -0.98 -4.98 116.67 106.82 1iie s ASP 134 Ca -0.04 -0.27 0.23 0.00 0.71 0.00 0.00 52.55 53.18 1iie s ASP 134 Cb 0.12 -0.77 1.30 0.00 1.01 0.00 0.00 42.92 44.58 1iie s ASP 134 CO 0.80 -0.11 1.73 -0.81 0.21 0.00 0.00 175.17 177.00 1iie n PRO 135 N 4.81 0.61 -0.45 8.23 -0.04 -1.26 -3.00 135.00 143.90 1iie n PRO 135 Ca -0.13 0.02 0.07 0.00 -0.04 0.00 0.00 63.50 63.42 1iie n PRO 135 Cb 0.50 -1.50 0.18 0.00 -0.04 0.00 0.00 33.50 32.64 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 -1.07 2.48 -4.74 1.53 4.77 -1.26 -5.02 117.00 113.69 1iie n LEU 136 Ca 0.15 -3.52 -0.36 0.00 -0.03 0.00 0.00 56.01 52.25 1iie n LEU 136 Cb 0.10 -0.47 -0.07 0.00 -2.33 0.00 0.00 43.42 40.65 1iie n LEU 136 CO 0.14 1.12 -0.03 -0.54 -1.33 0.00 0.00 177.39 176.75 1iie s LYS 137 N -2.95 4.20 0.05 3.23 -0.14 -1.16 -5.07 119.74 117.89 1iie s LYS 137 Ca 0.35 0.07 0.03 0.00 -1.36 0.00 0.00 55.97 55.06 1iie s LYS 137 Cb 0.33 -3.40 -0.02 0.00 -1.68 0.00 0.00 37.83 33.05 1iie s LYS 137 CO -0.04 0.29 -0.10 0.08 -0.76 0.00 0.00 175.35 174.82 1iie s VAL 138 N 0.32 0.72 -0.52 3.17 1.01 -1.26 -4.87 120.40 118.96 1iie s VAL 138 Ca 0.16 -1.10 0.04 0.00 0.00 0.00 0.00 61.98 61.08 1iie s VAL 138 Cb -0.13 -0.74 0.16 0.00 0.00 0.00 0.00 36.38 35.67 1iie s VAL 138 CO 0.04 -0.30 0.35 -0.31 0.00 0.00 0.00 175.10 174.88 1iie s TYR 139 N -1.27 2.30 0.56 5.22 1.51 -1.26 -5.06 117.35 119.36 1iie s TYR 139 Ca -0.07 -2.72 -0.20 0.00 -1.01 0.00 0.00 57.07 53.07 1iie s TYR 139 Cb -0.10 -1.92 -0.05 0.00 -0.11 0.00 0.00 41.96 39.78 1iie s TYR 139 CO 0.01 -0.71 1.15 -0.35 -1.11 0.00 0.00 175.55 174.53 1iie n PRO 140 N 2.82 1.28 -1.83 -1.71 -0.04 -1.26 -4.82 135.00 129.44 1iie n PRO 140 Ca 0.18 0.48 -0.39 0.00 -0.04 0.00 0.00 63.50 63.73 1iie n PRO 140 Cb 0.38 -2.33 -0.03 0.00 -0.04 0.00 0.00 33.50 31.48 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 -2.75 2.57 -1.41 0.54 0.04 -1.26 -4.84 135.00 127.88 1iie s PRO 141 Ca 0.73 1.11 -0.09 0.00 0.04 0.00 0.00 61.00 62.80 1iie s PRO 141 Cb -0.43 -4.43 0.07 0.00 0.04 0.00 0.00 34.50 29.74 1iie s PRO 141 CO 0.49 -2.77 2.40 1.28 0.04 0.00 0.00 177.00 178.44 1iie n LEU 142 N 13.49 7.77 0.29 -3.56 4.77 -1.26 -4.63 117.00 133.88 1iie n LEU 142 Ca 0.27 -4.60 0.18 0.00 -0.03 0.00 0.00 56.01 51.83 1iie n LEU 142 Cb 0.52 -1.48 0.78 0.00 -2.33 0.00 0.00 43.42 40.91 1iie n LEU 142 CO 0.70 1.79 1.02 0.11 -1.33 0.00 0.00 177.39 179.68 1iie h LYS 143 N 5.15 0.00 0.00 3.23 1.79 -1.98 -3.43 116.57 121.33 1iie h LYS 143 Ca 0.66 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 59.13 1iie h LYS 143 Cb 0.42 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.07 1iie h LYS 143 CO 1.65 0.01 0.00 0.41 -1.08 0.00 0.00 179.45 180.44 1iie n GLY 144 N -0.20 -2.81 3.98 3.86 0.00 -1.26 -5.00 105.19 103.77 1iie n GLY 144 Ca -0.00 -1.07 -0.21 0.00 0.00 0.00 0.00 46.02 44.74 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 -1.91 5.21 0.34 1.61 0.01 -1.26 -4.72 113.70 112.98 1iie s SER 145 Ca 0.00 -0.12 0.04 0.00 1.31 0.00 0.00 55.95 57.18 1iie s SER 145 Cb 0.00 -0.72 0.67 0.00 0.21 0.00 0.00 66.02 66.18 1iie s SER 145 CO 0.00 -1.18 1.95 0.15 0.41 0.00 0.00 173.24 174.57 1iie h PHE 146 N 0.07 0.85 0.00 2.43 3.57 -1.94 2.06 116.94 123.98 1iie h PHE 146 Ca -0.41 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.10 1iie h PHE 146 Cb 1.29 -0.28 -0.00 0.00 2.79 0.00 0.00 35.95 39.75 1iie h PHE 146 CO 0.32 0.46 -0.04 -1.00 -2.23 0.00 0.00 178.31 175.81 1iie h PRO 147 N 0.85 0.00 0.12 6.41 0.13 -1.98 0.22 132.00 137.75 1iie h PRO 147 Ca 0.33 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 65.18 1iie h PRO 147 Cb 0.20 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.33 1iie h PRO 147 CO -0.11 0.04 -1.41 0.93 -0.23 0.00 0.00 178.00 177.22 1iie h GLU 148 N 0.00 0.26 -0.31 0.86 4.39 -1.15 -2.12 114.58 116.51 1iie h GLU 148 Ca -0.00 -0.45 0.00 0.00 0.34 0.00 0.00 59.36 59.25 1iie h GLU 148 Cb 0.80 0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 29.60 1iie h GLU 148 CO 0.01 1.22 0.20 -0.91 -1.16 0.00 0.00 179.01 178.36 1iie h ASN 149 N -0.26 0.36 0.04 1.42 -0.26 0.33 1.45 115.58 118.66 1iie h ASN 149 Ca -0.30 -0.01 -0.08 0.00 -0.56 0.00 0.00 56.30 55.35 1iie h ASN 149 Cb 1.79 -0.09 0.01 0.00 -1.06 0.00 0.00 38.32 38.97 1iie h ASN 149 CO 0.08 0.27 -0.34 -0.07 -1.06 0.00 0.00 177.43 176.31 1iie h LEU 150 N 0.43 0.22 -1.52 1.61 3.38 -0.61 -1.20 115.31 117.62 1iie h LEU 150 Ca 0.11 -0.92 -0.03 0.00 0.09 0.00 0.00 57.88 57.14 1iie h LEU 150 Cb -0.04 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 40.64 1iie h LEU 150 CO -0.02 1.12 -0.12 0.03 0.09 0.00 0.00 178.44 179.53 1iie h ARG 151 N -0.64 0.00 0.10 1.13 2.47 -1.01 0.13 114.38 116.56 1iie h ARG 151 Ca -0.06 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.66 1iie h ARG 151 Cb 1.21 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.53 1iie h ARG 151 CO 0.06 0.12 -0.05 1.25 0.56 0.00 0.00 179.97 181.92 1iie h HIS 152 N 0.00 -0.12 -0.86 3.04 2.76 0.20 1.23 115.15 121.40 1iie h HIS 152 Ca -0.00 -0.00 0.12 0.00 -2.20 0.00 0.00 60.37 58.29 1iie h HIS 152 Cb 0.53 0.04 -0.06 0.00 1.55 0.00 0.00 27.41 29.47 1iie h HIS 152 CO 0.00 0.39 0.56 -0.07 -1.30 0.00 0.00 177.93 177.51 1iie h LEU 153 N -0.87 0.67 0.13 0.26 3.38 -0.95 2.02 115.31 119.96 1iie h LEU 153 Ca -0.01 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 1iie h LEU 153 Cb 0.57 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.21 1iie h LEU 153 CO 0.02 0.37 -0.06 0.50 0.09 0.00 0.00 178.44 179.36 1iie h LYS 154 N 0.73 -0.17 0.00 1.13 3.11 -0.65 1.25 116.57 121.97 1iie h LYS 154 Ca 0.42 0.01 0.00 0.00 -2.81 0.00 0.00 60.65 58.27 1iie h LYS 154 Cb 0.59 0.04 0.00 0.00 -1.00 0.00 0.00 32.23 31.86 1iie h LYS 154 CO -0.18 0.29 0.00 -1.71 -2.81 0.00 0.00 179.45 175.05 1iie n ASN 155 N -4.91 0.00 0.02 4.20 5.15 0.42 -4.16 115.26 115.97 1iie n ASN 155 Ca -0.08 0.29 -0.01 0.00 -0.60 0.00 0.00 54.58 54.17 1iie n ASN 155 Cb 0.27 -0.41 -0.00 0.00 -0.53 0.00 0.00 39.78 39.11 1iie n ASN 155 CO 0.00 0.00 0.00 0.41 1.40 0.00 0.00 177.26 179.07 1iie n THR 156 N -1.41 1.05 -0.31 -0.44 -1.04 0.68 -5.00 114.28 107.80 1iie n THR 156 Ca 0.07 0.31 -0.28 0.00 -2.04 0.00 0.00 64.05 62.11 1iie n THR 156 Cb 0.20 -1.60 0.26 0.00 -1.82 0.00 0.00 70.33 67.37 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 -3.45 -4.14 -1.99 -2.82 0.00 0.43 -4.83 117.12 100.32 1iie n MET 157 Ca -0.02 -1.22 -0.42 0.00 0.00 0.00 0.00 57.70 56.04 1iie n MET 157 Cb 0.07 -1.86 -0.03 0.00 0.00 0.00 0.00 33.22 31.40 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 -4.68 4.23 0.50 3.17 2.02 -1.26 -4.78 118.70 117.91 1iie s GLU 158 Ca 0.62 2.28 0.32 0.00 0.02 0.00 0.00 54.97 58.20 1iie s GLU 158 Cb -0.13 -3.31 1.43 0.00 0.10 0.00 0.00 34.13 32.23 1iie s GLU 158 CO 0.53 -0.61 1.80 1.15 0.02 0.00 0.00 175.26 178.15 1iie h THR 159 N 4.31 0.44 0.00 3.63 2.02 -1.88 1.72 112.91 123.15 1iie h THR 159 Ca -0.42 -0.03 -0.18 0.00 0.77 0.00 0.00 66.41 66.54 1iie h THR 159 Cb 1.20 0.33 -0.03 0.00 -1.74 0.00 0.00 68.15 67.91 1iie h THR 159 CO 0.91 0.02 -0.98 -0.29 0.37 0.00 0.00 175.52 175.55 1iie h ILE 160 N 0.10 1.18 -0.00 3.11 2.10 -1.95 0.79 117.51 122.84 1iie h ILE 160 Ca 0.57 -2.77 -0.17 0.00 1.08 0.00 0.00 64.86 63.57 1iie h ILE 160 Cb 2.05 2.56 -0.02 0.00 -1.09 0.00 0.00 36.82 40.31 1iie h ILE 160 CO -0.09 0.67 -0.80 0.44 -1.08 0.00 0.00 178.15 177.29 1iie h ASP 161 N 0.00 0.06 0.06 2.19 5.19 0.12 -1.02 116.42 123.01 1iie h ASP 161 Ca -0.06 -0.04 -0.20 0.00 -0.62 0.00 0.00 57.03 56.11 1iie h ASP 161 Cb 1.65 -0.02 0.00 0.00 0.18 0.00 0.00 39.33 41.15 1iie h ASP 161 CO 0.09 0.83 -0.73 -0.25 -3.12 0.00 0.00 179.24 176.07 1iie h TRP 162 N 0.02 0.79 -0.56 4.55 2.91 0.22 1.03 115.95 124.90 1iie h TRP 162 Ca -0.01 -0.34 0.05 0.00 1.13 0.00 0.00 58.89 59.72 1iie h TRP 162 Cb 1.41 -0.12 -0.05 0.00 -0.51 0.00 0.00 29.16 29.89 1iie h TRP 162 CO 0.01 1.13 0.29 0.87 -1.03 0.00 0.00 178.44 179.70 1iie h LYS 163 N 0.41 0.54 -0.11 2.65 1.79 0.11 0.88 116.57 122.84 1iie h LYS 163 Ca -0.03 -0.03 -0.20 0.00 -2.18 0.00 0.00 60.65 58.21 1iie h LYS 163 Cb 1.32 -0.12 0.00 0.00 -1.58 0.00 0.00 32.23 31.85 1iie h LYS 163 CO 0.14 0.36 -0.73 0.28 -1.08 0.00 0.00 179.45 178.41 1iie h VAL 164 N 0.56 1.34 -0.52 0.50 2.07 -0.96 -1.37 116.25 117.86 1iie h VAL 164 Ca 0.25 -2.06 -0.12 0.00 0.82 0.00 0.00 66.70 65.60 1iie h VAL 164 Cb 0.16 2.04 -0.02 0.00 -1.52 0.00 0.00 31.29 31.96 1iie h VAL 164 CO -0.17 0.63 -0.13 0.15 0.02 0.00 0.00 177.57 178.07 1iie h PHE 165 N 0.38 1.11 -0.01 1.57 3.57 0.23 0.56 116.94 124.34 1iie h PHE 165 Ca -0.04 -0.23 -0.00 0.00 3.53 0.00 0.00 57.97 61.23 1iie h PHE 165 Cb 1.33 -0.27 -0.00 0.00 2.79 0.00 0.00 35.95 39.79 1iie h PHE 165 CO 0.06 1.04 0.00 0.93 -2.23 0.00 0.00 178.31 178.11 1iie h GLU 166 N 0.87 0.01 -0.15 1.11 4.39 0.80 0.68 114.58 122.29 1iie h GLU 166 Ca 0.13 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.83 1iie h GLU 166 Cb 0.69 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.33 1iie h GLU 166 CO 0.05 0.23 0.10 1.03 -1.16 0.00 0.00 179.01 179.26 1iie h SER 167 N -0.20 0.16 -0.41 1.42 0.87 -1.03 0.78 113.55 115.13 1iie h SER 167 Ca 0.00 -0.00 -0.14 0.00 -1.23 0.00 0.00 61.79 60.42 1iie h SER 167 Cb 0.22 -0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 62.13 1iie h SER 167 CO -0.00 0.12 -0.29 -0.25 -0.53 0.00 0.00 176.83 175.88 1iie h TRP 168 N 0.19 1.08 -0.30 2.24 7.01 0.13 0.32 115.95 126.62 1iie h TRP 168 Ca 0.06 -0.29 -0.14 0.00 2.11 0.00 0.00 58.89 60.62 1iie h TRP 168 Cb -0.00 -0.24 -0.01 0.00 -2.10 0.00 0.00 29.16 26.81 1iie h TRP 168 CO -0.00 1.11 -0.38 0.52 -2.79 0.00 0.00 178.44 176.89 1iie h MET 169 N 0.74 0.70 -0.21 2.65 2.86 0.26 0.49 114.93 122.42 1iie h MET 169 Ca 0.08 -0.36 -0.03 0.00 -2.06 0.00 0.00 59.70 57.34 1iie h MET 169 Cb 0.87 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.53 1iie h MET 169 CO 0.08 0.97 0.03 1.25 1.06 0.00 0.00 176.91 180.30 1iie h HIS 170 N 0.58 0.38 -0.27 -0.22 -0.00 0.78 0.98 115.15 117.38 1iie h HIS 170 Ca 0.05 -0.05 -0.03 0.00 -0.00 0.00 0.00 60.37 60.34 1iie h HIS 170 Cb 0.92 -0.10 -0.01 0.00 -0.00 0.00 0.00 27.41 28.21 1iie h HIS 170 CO 0.05 0.50 0.05 0.45 -0.00 0.00 0.00 177.93 178.97 1iie h HIS 171 N 0.15 0.47 -0.95 5.26 -0.00 -0.20 0.32 115.15 120.20 1iie h HIS 171 Ca 0.06 -0.06 0.15 0.00 -0.00 0.00 0.00 60.37 60.52 1iie h HIS 171 Cb 0.32 -0.13 -0.09 0.00 -0.00 0.00 0.00 27.41 27.51 1iie h HIS 171 CO 0.02 0.54 0.56 2.35 -0.00 0.00 0.00 177.93 181.40 1iie h TRP 172 N 0.26 0.99 0.45 2.45 7.01 0.25 -0.42 115.95 126.95 1iie h TRP 172 Ca 0.08 0.03 -0.02 0.00 2.11 0.00 0.00 58.89 61.09 1iie h TRP 172 Cb 0.31 -0.30 0.00 0.00 -2.10 0.00 0.00 29.16 27.08 1iie h TRP 172 CO 0.02 0.30 -0.22 1.25 -2.79 0.00 0.00 178.44 177.00 1iie h LEU 173 N 0.80 -0.52 -0.03 0.65 5.85 0.22 -2.64 115.31 119.65 1iie h LEU 173 Ca 0.51 -0.09 0.01 0.00 0.84 0.00 0.00 57.88 59.15 1iie h LEU 173 Cb 0.66 0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.79 1iie h LEU 173 CO -0.33 -0.13 -0.31 -0.07 -0.34 0.00 0.00 178.44 177.26 1iie h LEU 174 N -0.97 -0.97 -0.39 2.25 3.38 0.16 0.56 115.31 119.33 1iie h LEU 174 Ca -0.06 0.11 0.04 0.00 0.09 0.00 0.00 57.88 58.05 1iie h LEU 174 Cb 0.58 0.37 -0.05 0.00 0.09 0.00 0.00 40.66 41.65 1iie h LEU 174 CO 0.10 -0.29 -0.23 0.33 0.09 0.00 0.00 178.44 178.44 1iie n PHE 175 N -4.19 -0.17 -0.32 1.13 -0.00 -0.22 0.18 117.46 113.86 1iie n PHE 175 Ca -0.04 0.49 0.13 0.00 -0.00 0.00 0.00 57.45 58.03 1iie n PHE 175 Cb 0.22 -0.49 0.35 0.00 -0.00 0.00 0.00 39.48 39.56 1iie n PHE 175 CO 0.00 0.00 0.00 1.49 -0.00 0.00 0.00 176.76 178.25 1iie h GLU 176 N 0.00 0.71 0.35 -4.13 4.81 -1.17 0.97 114.58 116.12 1iie h GLU 176 Ca 0.06 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.23 1iie h GLU 176 Cb 0.16 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.38 1iie h GLU 176 CO -0.37 0.47 -0.17 1.98 -0.73 0.00 0.00 179.01 180.19 1iie h MET 177 N 0.73 -0.45 -0.96 1.92 4.05 0.29 -1.58 114.93 118.92 1iie h MET 177 Ca 0.52 0.03 0.17 0.00 -0.28 0.00 0.00 59.70 60.14 1iie h MET 177 Cb 0.84 0.10 -0.10 0.00 -0.80 0.00 0.00 31.60 31.64 1iie h MET 177 CO -0.29 -0.19 0.57 0.66 0.23 0.00 0.00 176.91 177.89 1iie h SER 178 N -1.05 0.73 -0.25 1.39 4.64 0.25 0.41 113.55 119.67 1iie h SER 178 Ca -0.05 0.09 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 1iie h SER 178 Cb 0.47 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.51 1iie h SER 178 CO 0.08 0.29 0.00 -2.11 -0.87 0.00 0.00 176.83 174.22 1iie n ARG 179 N -4.78 2.29 -0.78 4.77 -4.01 0.33 -4.13 116.66 110.36 1iie n ARG 179 Ca 0.21 -1.18 -0.13 0.00 -1.04 0.00 0.00 57.85 55.71 1iie n ARG 179 Cb 0.50 -1.64 0.14 0.00 -3.04 0.00 0.00 32.46 28.43 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 0.28 1.93 0.23 2.89 -0.00 0.14 -4.32 115.22 116.36 1iie n HIS 180 Ca 0.11 -1.25 0.11 0.00 0.46 0.00 0.00 57.72 57.15 1iie n HIS 180 Cb 0.52 -0.66 0.46 0.00 -0.12 0.00 0.00 29.99 30.19 1iie n HIS 180 CO 0.00 0.00 0.00 1.03 0.46 0.00 0.00 176.34 177.83 1iie h SER 181 N 0.96 0.00 0.15 0.26 0.87 -1.77 -2.99 113.55 111.03 1iie h SER 181 Ca 0.36 0.00 -0.34 0.00 -1.23 0.00 0.00 61.79 60.58 1iie h SER 181 Cb 2.12 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 64.02 1iie h SER 181 CO 0.67 0.19 -2.17 0.18 -0.53 0.00 0.00 176.83 175.17 1iie n LEU 182 N -3.32 0.27 -1.18 2.23 4.77 -1.26 -4.19 117.00 114.32 1iie n LEU 182 Ca 0.00 0.13 0.04 0.00 -0.03 0.00 0.00 56.01 56.15 1iie n LEU 182 Cb 0.43 0.39 0.21 0.00 -2.33 0.00 0.00 43.42 42.12 1iie n LEU 182 CO 0.33 0.45 0.58 -0.62 -1.33 0.00 0.00 177.39 176.80 1iie n GLU 183 N -2.83 2.94 -4.31 3.23 1.02 -1.20 -4.81 120.64 114.67 1iie n GLU 183 Ca -0.27 -1.62 -0.24 0.00 -0.02 0.00 0.00 57.16 55.01 1iie n GLU 183 Cb 1.11 -1.85 -0.17 0.00 -0.02 0.00 0.00 31.44 30.51 1iie n GLU 183 CO 0.00 0.00 0.00 -1.14 1.18 0.00 0.00 177.13 177.17 1iie s GLN 184 N -1.88 1.37 -0.20 3.49 0.74 -1.13 -5.07 119.66 116.98 1iie s GLN 184 Ca 0.28 -0.27 -0.01 0.00 0.05 0.00 0.00 55.36 55.40 1iie s GLN 184 Cb 0.21 -1.25 0.06 0.00 1.10 0.00 0.00 33.01 33.12 1iie s GLN 184 CO 0.09 -0.07 -0.01 0.15 -0.55 0.00 0.00 175.29 174.90 1iie s LYS 185 N 0.97 1.09 0.89 1.67 1.02 -1.26 -4.95 119.74 119.17 1iie s LYS 185 Ca -0.09 -0.60 -0.12 0.00 0.02 0.00 0.00 55.97 55.17 1iie s LYS 185 Cb -0.15 -2.21 0.13 0.00 -0.52 0.00 0.00 37.83 35.08 1iie s LYS 185 CO 0.00 -0.58 1.10 -1.25 -0.92 0.00 0.00 175.35 173.71 1iie s PRO 186 N 1.68 1.30 0.51 -1.68 0.04 -1.26 -5.08 135.00 130.50 1iie s PRO 186 Ca -0.02 0.58 0.02 0.00 0.04 0.00 0.00 61.00 61.62 1iie s PRO 186 Cb -0.17 -1.83 0.02 0.00 0.04 0.00 0.00 34.50 32.55 1iie s PRO 186 CO -0.07 -2.15 0.12 2.41 0.04 0.00 0.00 177.00 177.35 1iie n THR 187 N -3.79 0.00 -3.64 1.26 -1.04 -1.26 -5.15 114.28 100.66 1iie n THR 187 Ca 0.06 -2.27 -0.04 0.00 -2.04 0.00 0.00 64.05 59.77 1iie n THR 187 Cb 0.57 0.31 -0.07 0.00 -1.82 0.00 0.00 70.33 69.32 1iie n THR 187 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1iie s ASP 188 N -3.85 -0.49 -0.48 8.00 2.15 -1.26 -5.10 116.67 115.64 1iie s ASP 188 Ca 0.09 0.82 0.06 0.00 0.43 0.00 0.00 52.55 53.95 1iie s ASP 188 Cb -0.01 1.11 0.25 0.00 -0.30 0.00 0.00 42.92 43.97 1iie s ASP 188 CO 0.06 -0.13 0.89 0.00 -0.17 0.00 0.00 175.17 175.82 1iie n ALA 189 N 3.32 -1.26 -1.79 3.66 0.00 -1.26 -5.14 120.51 118.04 1iie n ALA 189 Ca -0.17 -1.47 -0.34 0.00 0.00 0.00 0.00 53.44 51.46 1iie n ALA 189 Cb 0.57 -1.31 -0.03 0.00 0.00 0.00 0.00 19.45 18.68 1iie n ALA 189 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1iie s PRO 190 N 0.61 3.79 -0.52 0.00 0.04 -1.26 -4.95 135.00 132.70 1iie s PRO 190 Ca 0.31 1.41 -0.28 0.00 0.04 0.00 0.00 61.00 62.49 1iie s PRO 190 Cb 0.23 -2.13 -0.00 0.00 0.04 0.00 0.00 34.50 32.64 1iie s PRO 190 CO -0.23 -0.45 1.64 -1.25 0.04 0.00 0.00 177.00 176.75 1iie s PRO 191 N -3.16 3.09 0.00 0.56 0.04 -1.26 -5.37 135.00 128.90 1iie s PRO 191 Ca 0.67 0.73 0.00 0.00 0.04 0.00 0.00 61.00 62.44 1iie s PRO 191 Cb -0.18 -4.22 0.00 0.00 0.04 0.00 0.00 34.50 30.14 1iie s PRO 191 CO 0.21 -2.17 0.00 1.17 0.04 0.00 0.00 177.00 176.25