#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 -2.83 0.00 2.98 0.00 -1.26 -5.05 105.19 99.04 1iie n GLY 119 Ca 0.00 0.77 0.00 0.00 0.00 0.00 0.00 46.02 46.79 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 0.19 0.00 0.22 1.61 5.15 -1.26 -5.01 115.26 116.17 1iie n ASN 120 Ca 0.05 -0.21 0.14 0.00 -0.60 0.00 0.00 54.58 53.96 1iie n ASN 120 Cb 0.20 0.00 0.42 0.00 -0.53 0.00 0.00 39.78 39.87 1iie n ASN 120 CO 0.00 0.00 0.00 0.24 1.40 0.00 0.00 177.26 178.90 1iie h MET 121 N 0.00 0.00 -0.81 1.20 2.86 -2.01 -3.19 114.93 112.97 1iie h MET 121 Ca 0.00 0.00 0.21 0.00 -2.06 0.00 0.00 59.70 57.85 1iie h MET 121 Cb 0.00 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 31.61 1iie h MET 121 CO 0.00 0.00 0.56 1.15 1.06 0.00 0.00 176.91 179.68 1iie h THR 122 N 0.00 0.66 -0.50 2.22 2.02 -1.97 0.20 112.91 115.54 1iie h THR 122 Ca 0.00 -0.07 -0.10 0.00 0.77 0.00 0.00 66.41 67.01 1iie h THR 122 Cb 0.74 0.45 -0.02 0.00 -1.74 0.00 0.00 68.15 67.57 1iie h THR 122 CO 0.00 0.04 -0.10 -0.33 0.37 0.00 0.00 175.52 175.50 1iie h GLU 123 N 0.20 0.92 0.00 6.66 5.08 -1.96 1.47 114.58 126.95 1iie h GLU 123 Ca 0.40 -0.32 -0.08 0.00 -1.00 0.00 0.00 59.36 58.36 1iie h GLU 123 Cb 1.28 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.45 1iie h GLU 123 CO -0.08 0.97 -0.39 -0.44 -1.00 0.00 0.00 179.01 178.06 1iie h ASP 124 N 0.82 0.00 0.98 1.42 5.19 -0.89 1.29 116.42 125.23 1iie h ASP 124 Ca 0.14 0.00 -0.15 0.00 -0.62 0.00 0.00 57.03 56.40 1iie h ASP 124 Cb 0.62 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.11 1iie h ASP 124 CO 0.04 0.39 -1.09 -0.74 -3.12 0.00 0.00 179.24 174.72 1iie h HIS 125 N 0.00 0.00 0.08 4.55 2.76 -0.31 -2.12 115.15 120.11 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 0.98 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 29.92 1iie h HIS 125 CO 0.00 0.56 -1.74 0.28 -1.30 0.00 0.00 177.93 175.73 1iie h VAL 126 N 0.00 0.87 -0.55 5.26 2.07 0.22 -2.69 116.25 121.44 1iie h VAL 126 Ca -0.10 -2.61 -0.05 0.00 0.82 0.00 0.00 66.70 64.75 1iie h VAL 126 Cb 1.52 2.56 -0.02 0.00 -1.52 0.00 0.00 31.29 33.83 1iie h VAL 126 CO 0.06 0.74 0.15 -0.03 0.02 0.00 0.00 177.57 178.51 1iie h MET 127 N 0.05 0.86 -0.32 1.57 -1.53 0.16 -1.18 114.93 114.53 1iie h MET 127 Ca -0.32 -0.20 -0.10 0.00 -3.44 0.00 0.00 59.70 55.64 1iie h MET 127 Cb 2.02 -0.12 -0.01 0.00 -0.55 0.00 0.00 31.60 32.94 1iie h MET 127 CO 0.11 0.80 -0.22 0.45 0.14 0.00 0.00 176.91 178.19 1iie h HIS 128 N 0.77 0.69 0.00 1.39 3.86 -1.48 0.71 115.15 121.09 1iie h HIS 128 Ca 0.17 -0.15 -0.01 0.00 -1.16 0.00 0.00 60.37 59.23 1iie h HIS 128 Cb 0.31 -0.17 -0.00 0.00 1.06 0.00 0.00 27.41 28.61 1iie h HIS 128 CO 0.02 0.79 -0.03 -0.07 0.86 0.00 0.00 177.93 179.49 1iie h LEU 129 N 0.54 0.00 0.00 2.43 -0.00 -1.03 -2.02 115.31 115.24 1iie h LEU 129 Ca 0.08 0.00 -0.29 0.00 -0.00 0.00 0.00 57.88 57.68 1iie h LEU 129 Cb 0.67 0.00 -0.05 0.00 -0.00 0.00 0.00 40.66 41.28 1iie h LEU 129 CO 0.05 0.03 -2.21 0.18 -0.00 0.00 0.00 178.44 176.49 1iie n LEU 130 N -3.23 0.11 0.00 1.67 4.77 -0.51 -3.29 117.00 116.52 1iie n LEU 130 Ca -0.01 0.05 0.11 0.00 -0.03 0.00 0.00 56.01 56.12 1iie n LEU 130 Cb 0.20 0.36 0.50 0.00 -2.33 0.00 0.00 43.42 42.16 1iie n LEU 130 CO 0.25 0.38 0.84 0.00 -1.33 0.00 0.00 177.39 177.54 1iie n GLN 131 N -2.69 0.15 -0.04 3.23 6.02 0.24 -1.32 117.38 122.97 1iie n GLN 131 Ca -0.25 0.11 -0.04 0.00 -0.01 0.00 0.00 57.00 56.81 1iie n GLN 131 Cb 1.03 -1.50 -0.06 0.00 1.02 0.00 0.00 30.24 30.72 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 -1.39 2.99 0.04 1.08 2.85 -0.82 -4.59 115.26 115.41 1iie n ASN 132 Ca 0.08 0.00 -0.05 0.00 -0.11 0.00 0.00 54.58 54.50 1iie n ASN 132 Cb 0.21 0.73 -0.10 0.00 1.24 0.00 0.00 39.78 41.87 1iie n ASN 132 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1iie h ALA 133 N 0.42 0.60 -3.25 5.20 0.00 -1.53 -3.44 119.26 117.25 1iie h ALA 133 Ca -0.21 -1.00 -0.49 0.00 0.00 0.00 0.00 54.91 53.20 1iie h ALA 133 Cb 1.46 0.15 -0.37 0.00 0.00 0.00 0.00 17.79 19.03 1iie h ALA 133 CO 0.01 1.19 -0.79 -0.51 0.00 0.00 0.00 179.25 179.15 1iie s ASP 134 N -6.28 1.86 0.00 0.00 1.01 -0.44 -4.99 116.67 107.83 1iie s ASP 134 Ca -0.01 -0.23 0.22 0.00 0.71 0.00 0.00 52.55 53.25 1iie s ASP 134 Cb 0.09 -0.69 1.09 0.00 1.01 0.00 0.00 42.92 44.41 1iie s ASP 134 CO 0.81 -0.12 1.72 -0.81 0.21 0.00 0.00 175.17 176.98 1iie n PRO 135 N 4.80 0.25 -0.27 8.23 -0.04 -1.26 -2.86 135.00 143.84 1iie n PRO 135 Ca -0.13 0.09 0.07 0.00 -0.04 0.00 0.00 63.50 63.48 1iie n PRO 135 Cb 0.50 -1.50 0.19 0.00 -0.04 0.00 0.00 33.50 32.65 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 -1.34 3.24 -4.64 1.53 4.77 -1.26 -4.97 117.00 114.34 1iie n LEU 136 Ca 0.09 -2.51 -0.42 0.00 -0.03 0.00 0.00 56.01 53.14 1iie n LEU 136 Cb 0.20 -0.36 -0.03 0.00 -2.33 0.00 0.00 43.42 40.89 1iie n LEU 136 CO 0.18 0.69 0.76 -0.54 -1.33 0.00 0.00 177.39 177.15 1iie s LYS 137 N -1.91 4.10 0.04 3.23 -0.14 -1.14 -5.02 119.74 118.91 1iie s LYS 137 Ca 0.30 0.94 0.06 0.00 -1.36 0.00 0.00 55.97 55.91 1iie s LYS 137 Cb 0.22 -3.69 -0.02 0.00 -1.68 0.00 0.00 37.83 32.65 1iie s LYS 137 CO 0.11 -0.69 -0.16 0.08 -0.76 0.00 0.00 175.35 173.93 1iie s VAL 138 N 3.16 1.29 -0.52 3.17 1.01 -1.26 -4.81 120.40 122.43 1iie s VAL 138 Ca 0.39 -1.08 0.04 0.00 0.00 0.00 0.00 61.98 61.32 1iie s VAL 138 Cb -0.14 -1.15 0.16 0.00 0.00 0.00 0.00 36.38 35.25 1iie s VAL 138 CO 0.11 0.05 0.37 -0.31 0.00 0.00 0.00 175.10 175.32 1iie s TYR 139 N -0.86 2.19 0.69 5.22 2.02 -1.26 -5.08 117.35 120.28 1iie s TYR 139 Ca 0.03 -2.71 -0.17 0.00 -0.37 0.00 0.00 57.07 53.86 1iie s TYR 139 Cb -0.08 -1.78 -0.00 0.00 -0.40 0.00 0.00 41.96 39.69 1iie s TYR 139 CO 0.02 -0.71 1.04 -0.35 -1.57 0.00 0.00 175.55 173.97 1iie n PRO 140 N 2.69 0.67 -1.87 -1.71 -0.04 -1.26 -4.81 135.00 128.66 1iie n PRO 140 Ca 0.21 0.28 -0.38 0.00 -0.04 0.00 0.00 63.50 63.57 1iie n PRO 140 Cb 0.40 -2.28 -0.03 0.00 -0.04 0.00 0.00 33.50 31.55 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 2.54 -1.36 0.54 0.04 -1.26 -4.85 135.00 127.37 1iie s PRO 141 Ca 0.76 0.98 -0.08 0.00 0.04 0.00 0.00 61.00 62.70 1iie s PRO 141 Cb -0.36 -4.43 0.10 0.00 0.04 0.00 0.00 34.50 29.85 1iie s PRO 141 CO 0.48 -2.81 2.28 1.28 0.04 0.00 0.00 177.00 178.27 1iie n LEU 142 N 13.50 7.61 0.29 -3.56 4.77 -1.26 -4.64 117.00 133.70 1iie n LEU 142 Ca 0.26 -4.70 0.18 0.00 -0.03 0.00 0.00 56.01 51.72 1iie n LEU 142 Cb 0.52 -1.44 0.80 0.00 -2.33 0.00 0.00 43.42 40.97 1iie n LEU 142 CO 0.71 1.78 1.03 0.11 -1.33 0.00 0.00 177.39 179.68 1iie h LYS 143 N 5.12 0.00 0.00 3.23 1.57 -1.98 -3.43 116.57 121.08 1iie h LYS 143 Ca 0.61 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.39 1iie h LYS 143 Cb 0.43 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.74 1iie h LYS 143 CO 1.59 0.03 0.00 0.41 -0.57 0.00 0.00 179.45 180.91 1iie n GLY 144 N -0.28 -3.03 3.97 3.86 0.00 -1.26 -4.99 105.19 103.45 1iie n GLY 144 Ca -0.00 -1.16 -0.23 0.00 0.00 0.00 0.00 46.02 44.62 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 -1.90 4.82 0.32 1.61 0.01 -1.26 -4.65 113.70 112.65 1iie s SER 145 Ca 0.00 0.01 0.03 0.00 1.31 0.00 0.00 55.95 57.30 1iie s SER 145 Cb 0.00 -0.66 0.61 0.00 0.21 0.00 0.00 66.02 66.18 1iie s SER 145 CO 0.00 -1.52 1.92 0.15 0.41 0.00 0.00 173.24 174.21 1iie h PHE 146 N -0.32 0.95 0.00 2.43 3.57 -1.94 2.29 116.94 123.91 1iie h PHE 146 Ca -0.41 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.11 1iie h PHE 146 Cb 1.29 -0.31 0.00 0.00 2.79 0.00 0.00 35.95 39.72 1iie h PHE 146 CO 0.15 0.48 0.00 -1.00 -2.23 0.00 0.00 178.31 175.71 1iie h PRO 147 N 0.92 0.00 0.11 6.41 0.13 -1.98 0.73 132.00 138.31 1iie h PRO 147 Ca 0.37 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 65.19 1iie h PRO 147 Cb 0.26 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.38 1iie h PRO 147 CO -0.14 0.00 -1.65 0.93 -0.23 0.00 0.00 178.00 176.91 1iie h GLU 148 N 0.00 0.24 -0.13 0.86 4.39 -1.24 -2.50 114.58 116.20 1iie h GLU 148 Ca 0.00 -0.40 -0.00 0.00 0.34 0.00 0.00 59.36 59.30 1iie h GLU 148 Cb 0.81 0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 29.60 1iie h GLU 148 CO 0.00 1.19 0.07 -0.91 -1.16 0.00 0.00 179.01 178.20 1iie h ASN 149 N -0.22 0.15 0.01 1.42 2.35 0.38 1.49 115.58 121.16 1iie h ASN 149 Ca -0.36 -0.01 -0.02 0.00 -0.55 0.00 0.00 56.30 55.36 1iie h ASN 149 Cb 1.84 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 40.17 1iie h ASN 149 CO 0.04 0.12 -0.08 -0.07 -1.65 0.00 0.00 177.43 175.79 1iie h LEU 150 N 0.17 0.05 -1.81 1.61 3.38 -0.92 -1.62 115.31 116.18 1iie h LEU 150 Ca 0.05 -0.97 -0.02 0.00 0.09 0.00 0.00 57.88 57.03 1iie h LEU 150 Cb 0.00 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 40.73 1iie h LEU 150 CO -0.01 1.02 -0.09 0.03 0.09 0.00 0.00 178.44 179.47 1iie h ARG 151 N -0.90 0.00 0.07 1.13 2.47 -1.04 0.13 114.38 116.23 1iie h ARG 151 Ca -0.01 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.70 1iie h ARG 151 Cb 1.04 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.36 1iie h ARG 151 CO 0.02 0.09 -0.03 1.25 0.56 0.00 0.00 179.97 181.86 1iie h HIS 152 N 0.00 -0.08 -0.89 3.04 2.76 0.21 1.25 115.15 121.44 1iie h HIS 152 Ca -0.00 -0.00 0.14 0.00 -2.20 0.00 0.00 60.37 58.31 1iie h HIS 152 Cb 0.41 0.03 -0.07 0.00 1.55 0.00 0.00 27.41 29.33 1iie h HIS 152 CO 0.00 0.50 0.57 -0.07 -1.30 0.00 0.00 177.93 177.63 1iie h LEU 153 N -0.83 0.66 0.19 0.26 3.38 -0.85 1.91 115.31 120.03 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 0.62 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.28 1iie h LEU 153 CO 0.02 0.34 -0.09 0.50 0.09 0.00 0.00 178.44 179.29 1iie h LYS 154 N 0.70 -0.25 0.00 1.13 3.11 -0.64 1.21 116.57 121.84 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 0.70 0.06 0.00 0.00 -1.00 0.00 0.00 32.23 31.99 1iie h LYS 154 CO -0.20 0.15 0.00 -1.71 -2.81 0.00 0.00 179.45 174.88 1iie n ASN 155 N -4.96 0.00 0.02 4.20 2.85 0.43 -4.12 115.26 113.68 1iie n ASN 155 Ca -0.08 0.26 -0.01 0.00 -0.11 0.00 0.00 54.58 54.64 1iie n ASN 155 Cb 0.26 -0.39 -0.00 0.00 1.24 0.00 0.00 39.78 40.89 1iie n ASN 155 CO 0.00 0.00 0.00 0.41 -2.11 0.00 0.00 177.26 175.56 1iie n THR 156 N -1.39 1.01 -0.23 -0.44 -1.04 0.64 -5.00 114.28 107.83 1iie n THR 156 Ca 0.06 0.31 -0.26 0.00 -2.04 0.00 0.00 64.05 62.12 1iie n THR 156 Cb 0.17 -1.57 0.25 0.00 -1.82 0.00 0.00 70.33 67.36 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 -3.41 -4.24 -2.09 -2.82 0.00 0.42 -4.85 117.12 100.14 1iie n MET 157 Ca -0.02 -1.25 -0.42 0.00 0.00 0.00 0.00 57.70 56.02 1iie n MET 157 Cb 0.06 -1.69 -0.03 0.00 0.00 0.00 0.00 33.22 31.57 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 -4.70 4.26 0.51 3.17 2.02 -1.26 -4.80 118.70 117.90 1iie s GLU 158 Ca 0.57 2.15 0.32 0.00 0.02 0.00 0.00 54.97 58.04 1iie s GLU 158 Cb -0.10 -3.45 1.45 0.00 0.10 0.00 0.00 34.13 32.13 1iie s GLU 158 CO 0.48 -0.59 1.79 1.15 0.02 0.00 0.00 175.26 178.10 1iie h THR 159 N 4.61 0.42 0.00 3.63 2.02 -1.89 1.71 112.91 123.42 1iie h THR 159 Ca -0.41 -0.03 -0.18 0.00 0.77 0.00 0.00 66.41 66.56 1iie h THR 159 Cb 1.20 0.31 -0.03 0.00 -1.74 0.00 0.00 68.15 67.89 1iie h THR 159 CO 0.90 0.02 -0.93 -0.29 0.37 0.00 0.00 175.52 175.59 1iie h ILE 160 N 0.10 1.19 0.00 3.11 6.09 -1.96 0.78 117.51 126.82 1iie h ILE 160 Ca 0.59 -2.76 -0.17 0.00 -1.37 0.00 0.00 64.86 61.15 1iie h ILE 160 Cb 2.12 2.57 -0.02 0.00 0.47 0.00 0.00 36.82 41.95 1iie h ILE 160 CO -0.09 0.68 -0.79 -0.78 -3.07 0.00 0.00 178.15 174.10 1iie h ASP 161 N 0.00 0.00 0.20 2.19 1.82 0.11 -1.51 116.42 119.23 1iie h ASP 161 Ca -0.05 0.00 -0.20 0.00 -0.39 0.00 0.00 57.03 56.39 1iie h ASP 161 Cb 1.63 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 41.64 1iie h ASP 161 CO 0.09 0.79 -0.79 -0.25 -1.61 0.00 0.00 179.24 177.47 1iie h TRP 162 N 0.00 0.65 -0.27 0.28 2.91 0.22 0.95 115.95 120.70 1iie h TRP 162 Ca -0.01 -0.30 0.03 0.00 1.13 0.00 0.00 58.89 59.73 1iie h TRP 162 Cb 1.51 -0.09 -0.03 0.00 -0.51 0.00 0.00 29.16 30.04 1iie h TRP 162 CO 0.00 1.09 0.10 0.87 -1.03 0.00 0.00 178.44 179.47 1iie h LYS 163 N 0.31 0.22 -0.35 2.65 1.79 0.96 0.80 116.57 122.95 1iie h LYS 163 Ca -0.05 -0.01 -0.14 0.00 -2.18 0.00 0.00 60.65 58.28 1iie h LYS 163 Cb 1.38 -0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 31.98 1iie h LYS 163 CO 0.14 0.15 -0.31 0.28 -1.08 0.00 0.00 179.45 178.62 1iie h VAL 164 N 0.23 1.29 -0.71 0.50 2.07 -1.13 -0.81 116.25 117.68 1iie h VAL 164 Ca 0.12 -1.48 -0.06 0.00 0.82 0.00 0.00 66.70 66.10 1iie h VAL 164 Cb 0.07 1.45 -0.03 0.00 -1.52 0.00 0.00 31.29 31.27 1iie h VAL 164 CO -0.11 0.49 0.22 0.15 0.02 0.00 0.00 177.57 178.34 1iie h PHE 165 N 0.61 1.14 -0.05 1.57 3.57 0.16 0.79 116.94 124.73 1iie h PHE 165 Ca 0.06 -0.11 -0.00 0.00 3.53 0.00 0.00 57.97 61.44 1iie h PHE 165 Cb 0.89 -0.33 -0.00 0.00 2.79 0.00 0.00 35.95 39.30 1iie h PHE 165 CO 0.07 0.91 0.02 0.93 -2.23 0.00 0.00 178.31 178.00 1iie h GLU 166 N 1.04 0.07 -0.33 1.11 4.39 0.71 0.76 114.58 122.33 1iie h GLU 166 Ca 0.23 -0.01 0.04 0.00 0.34 0.00 0.00 59.36 59.95 1iie h GLU 166 Cb 0.30 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.92 1iie h GLU 166 CO -0.01 0.23 0.22 1.03 -1.16 0.00 0.00 179.01 179.32 1iie h SER 167 N -0.10 0.24 -0.06 1.42 0.87 -0.71 1.09 113.55 116.31 1iie h SER 167 Ca 0.02 -0.00 -0.14 0.00 -1.23 0.00 0.00 61.79 60.43 1iie h SER 167 Cb 0.18 -0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 62.08 1iie h SER 167 CO -0.00 0.17 -0.44 -0.25 -0.53 0.00 0.00 176.83 175.77 1iie h TRP 168 N 0.28 0.73 -0.17 2.24 7.01 0.20 0.45 115.95 126.70 1iie h TRP 168 Ca 0.14 -0.23 -0.18 0.00 2.11 0.00 0.00 58.89 60.73 1iie h TRP 168 Cb 0.20 -0.15 -0.00 0.00 -2.10 0.00 0.00 29.16 27.11 1iie h TRP 168 CO -0.00 0.94 -0.65 1.98 -2.79 0.00 0.00 178.44 177.92 1iie h MET 169 N 0.49 0.62 -0.24 2.65 4.05 0.41 0.46 114.93 123.36 1iie h MET 169 Ca 0.03 -0.44 -0.05 0.00 -0.28 0.00 0.00 59.70 58.96 1iie h MET 169 Cb 0.97 0.07 -0.01 0.00 -0.80 0.00 0.00 31.60 31.83 1iie h MET 169 CO 0.09 1.06 -0.05 1.25 0.23 0.00 0.00 176.91 179.49 1iie h HIS 170 N 0.45 0.52 -0.22 1.39 -0.00 0.14 0.57 115.15 117.98 1iie h HIS 170 Ca -0.01 -0.11 -0.03 0.00 -0.00 0.00 0.00 60.37 60.22 1iie h HIS 170 Cb 1.23 -0.13 -0.01 0.00 -0.00 0.00 0.00 27.41 28.50 1iie h HIS 170 CO 0.06 0.68 0.04 0.45 -0.00 0.00 0.00 177.93 179.15 1iie h HIS 171 N 0.21 0.39 -0.93 5.26 -0.00 -0.01 0.24 115.15 120.31 1iie h HIS 171 Ca 0.06 -0.05 0.15 0.00 -0.00 0.00 0.00 60.37 60.53 1iie h HIS 171 Cb 0.51 -0.11 -0.09 0.00 -0.00 0.00 0.00 27.41 27.71 1iie h HIS 171 CO 0.05 0.50 0.54 2.35 -0.00 0.00 0.00 177.93 181.37 1iie h TRP 172 N 0.18 0.96 0.54 2.45 7.01 0.11 -0.59 115.95 126.61 1iie h TRP 172 Ca 0.07 0.03 -0.03 0.00 2.11 0.00 0.00 58.89 61.08 1iie h TRP 172 Cb 0.32 -0.29 0.01 0.00 -2.10 0.00 0.00 29.16 27.09 1iie h TRP 172 CO 0.02 0.28 -0.26 1.25 -2.79 0.00 0.00 178.44 176.94 1iie h LEU 173 N 0.77 -0.62 -0.06 0.65 5.85 0.13 -2.57 115.31 119.47 1iie h LEU 173 Ca 0.50 -0.05 0.02 0.00 0.84 0.00 0.00 57.88 59.19 1iie h LEU 173 Cb 0.66 0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.81 1iie h LEU 173 CO -0.33 -0.26 -0.39 -0.07 -0.34 0.00 0.00 178.44 177.04 1iie h LEU 174 N -1.01 -1.23 -0.34 2.25 3.38 -0.02 0.88 115.31 119.22 1iie h LEU 174 Ca -0.07 0.14 0.03 0.00 0.09 0.00 0.00 57.88 58.07 1iie h LEU 174 Cb 0.63 0.47 -0.04 0.00 0.09 0.00 0.00 40.66 41.81 1iie h LEU 174 CO 0.12 -0.36 -0.20 0.33 0.09 0.00 0.00 178.44 178.42 1iie n PHE 175 N -4.63 -0.15 -0.22 1.13 -0.00 -0.28 0.13 117.46 113.45 1iie n PHE 175 Ca -0.05 0.42 0.08 0.00 -0.00 0.00 0.00 57.45 57.91 1iie n PHE 175 Cb 0.28 -0.47 0.36 0.00 -0.00 0.00 0.00 39.48 39.64 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 0.72 0.42 -4.13 3.07 -1.12 0.41 114.58 113.95 1iie h GLU 176 Ca 0.05 -0.04 -0.02 0.00 -0.50 0.00 0.00 59.36 58.85 1iie h GLU 176 Cb 0.14 -0.16 0.00 0.00 -0.84 0.00 0.00 28.75 27.89 1iie h GLU 176 CO -0.32 0.48 -0.20 1.98 -1.40 0.00 0.00 179.01 179.55 1iie h MET 177 N 0.75 -0.55 -0.93 2.33 4.05 0.28 -1.62 114.93 119.24 1iie h MET 177 Ca 0.37 0.04 0.16 0.00 -0.28 0.00 0.00 59.70 59.99 1iie h MET 177 Cb 0.44 0.12 -0.10 0.00 -0.80 0.00 0.00 31.60 31.27 1iie h MET 177 CO -0.14 -0.26 0.53 0.66 0.23 0.00 0.00 176.91 177.93 1iie h SER 178 N -1.04 0.68 -0.42 1.39 4.64 0.15 0.22 113.55 119.18 1iie h SER 178 Ca -0.06 0.09 -0.15 0.00 -0.47 0.00 0.00 61.79 61.20 1iie h SER 178 Cb 0.54 -0.03 -0.09 0.00 -0.31 0.00 0.00 62.40 62.51 1iie h SER 178 CO 0.10 0.28 0.19 -2.11 -0.87 0.00 0.00 176.83 174.41 1iie n ARG 179 N -4.80 2.23 -0.17 4.77 -4.01 0.14 -4.11 116.66 110.71 1iie n ARG 179 Ca 0.20 -1.57 0.09 0.00 -1.04 0.00 0.00 57.85 55.53 1iie n ARG 179 Cb 0.48 -1.73 0.27 0.00 -3.04 0.00 0.00 32.46 28.44 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 -0.06 0.44 0.30 2.89 -0.00 0.79 -4.13 115.22 115.45 1iie n HIS 180 Ca 0.24 -0.22 0.19 0.00 0.46 0.00 0.00 57.72 58.38 1iie n HIS 180 Cb 0.95 0.00 0.94 0.00 -0.12 0.00 0.00 29.99 31.76 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 2.81 0.00 0.02 0.26 0.87 -1.77 -1.59 113.55 114.15 1iie h SER 181 Ca 0.00 0.00 -0.38 0.00 -1.23 0.00 0.00 61.79 60.18 1iie h SER 181 Cb 0.63 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 62.52 1iie h SER 181 CO 0.00 0.00 -2.40 0.18 -0.53 0.00 0.00 176.83 174.08 1iie n LEU 182 N -2.88 2.59 0.26 2.23 4.32 -1.26 -4.28 117.00 117.97 1iie n LEU 182 Ca -0.02 -0.08 0.15 0.00 -0.02 0.00 0.00 56.01 56.04 1iie n LEU 182 Cb 0.13 -0.76 0.67 0.00 -1.62 0.00 0.00 43.42 41.83 1iie n LEU 182 CO 0.20 0.87 0.95 -0.33 -1.22 0.00 0.00 177.39 177.86 1iie h GLU 183 N 0.01 0.00 -7.20 3.23 4.39 -1.73 -3.43 114.58 109.84 1iie h GLU 183 Ca -0.55 0.00 -0.48 0.00 0.34 0.00 0.00 59.36 58.66 1iie h GLU 183 Cb 1.95 0.00 0.04 0.00 -0.10 0.00 0.00 28.75 30.64 1iie h GLU 183 CO -0.05 0.09 0.38 -1.14 -1.16 0.00 0.00 179.01 177.12 1iie s GLN 184 N -3.79 3.64 -0.28 2.33 0.74 -0.62 -5.04 119.66 116.63 1iie s GLN 184 Ca -0.00 1.06 -0.01 0.00 0.05 0.00 0.00 55.36 56.46 1iie s GLN 184 Cb 0.10 -2.09 0.09 0.00 1.10 0.00 0.00 33.01 32.22 1iie s GLN 184 CO 0.57 -0.53 0.07 0.21 -0.55 0.00 0.00 175.29 175.05 1iie s LYS 185 N -4.12 0.84 0.97 1.67 2.20 -1.26 -5.00 119.74 115.04 1iie s LYS 185 Ca 0.61 -1.00 -0.13 0.00 -0.36 0.00 0.00 55.97 55.08 1iie s LYS 185 Cb -0.13 -2.14 0.17 0.00 -1.51 0.00 0.00 37.83 34.23 1iie s LYS 185 CO 0.35 -0.89 1.14 -1.25 -0.36 0.00 0.00 175.35 174.34 1iie s PRO 186 N 1.59 0.66 0.26 4.03 0.04 -1.26 -5.09 135.00 135.24 1iie s PRO 186 Ca 0.06 0.22 0.01 0.00 0.04 0.00 0.00 61.00 61.34 1iie s PRO 186 Cb -0.17 -1.79 -0.04 0.00 0.04 0.00 0.00 34.50 32.53 1iie s PRO 186 CO -0.20 -2.51 0.13 0.99 0.04 0.00 0.00 177.00 175.45 1iie s THR 187 N -3.24 0.32 0.13 1.26 2.01 -1.26 -5.17 115.64 109.69 1iie s THR 187 Ca 0.66 -2.00 -0.21 0.00 0.31 0.00 0.00 61.69 60.45 1iie s THR 187 Cb -0.14 -2.56 0.06 0.00 0.01 0.00 0.00 72.50 69.87 1iie s THR 187 CO 0.54 0.00 0.53 -0.62 -0.69 0.00 0.00 174.62 174.39 1iie s ASP 188 N -3.29 -0.46 -1.08 3.53 2.15 -1.26 -4.98 116.67 111.29 1iie s ASP 188 Ca 0.38 -0.05 -0.16 0.00 0.43 0.00 0.00 52.55 53.15 1iie s ASP 188 Cb 0.07 0.55 -0.02 0.00 -0.30 0.00 0.00 42.92 43.21 1iie s ASP 188 CO 0.15 -0.89 0.81 0.00 -0.17 0.00 0.00 175.17 175.06 1iie n ALA 189 N -0.19 -2.55 -1.30 3.66 0.00 -1.26 -4.95 120.51 113.92 1iie n ALA 189 Ca -0.17 -0.15 -0.29 0.00 0.00 0.00 0.00 53.44 52.83 1iie n ALA 189 Cb 0.64 -4.16 0.15 0.00 0.00 0.00 0.00 19.45 16.08 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 -5.39 1.04 0.77 0.00 0.04 -1.26 -5.02 135.00 125.18 1iie s PRO 190 Ca 0.42 0.58 -0.11 0.00 0.04 0.00 0.00 61.00 61.93 1iie s PRO 190 Cb -0.13 -1.80 0.05 0.00 0.04 0.00 0.00 34.50 32.66 1iie s PRO 190 CO 0.83 -2.33 1.08 -1.25 0.04 0.00 0.00 177.00 175.37 1iie s PRO 191 N -5.04 2.32 0.00 0.56 0.04 -1.26 -5.31 135.00 126.31 1iie s PRO 191 Ca 0.64 1.09 0.00 0.00 0.04 0.00 0.00 61.00 62.76 1iie s PRO 191 Cb -0.17 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 32.46 1iie s PRO 191 CO 0.56 -1.58 0.00 1.17 0.04 0.00 0.00 177.00 177.19