#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 0.39 0.70 2.72 0.00 -1.26 0.16 105.19 107.90 1iie n GLY 119 Ca 0.00 0.40 0.02 0.00 0.00 0.00 0.00 46.02 46.44 1iie n GLY 119 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1iie n ASN 120 N 2.51 1.84 0.00 1.61 3.02 -1.26 -4.82 115.26 118.16 1iie n ASN 120 Ca 0.00 -2.17 0.00 0.00 -0.03 0.00 0.00 54.58 52.38 1iie n ASN 120 Cb 0.00 -0.42 0.00 0.00 -0.61 0.00 0.00 39.78 38.75 1iie n ASN 120 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 1iie n MET 121 N 0.12 -1.24 0.06 3.52 2.81 0.41 -4.29 117.12 118.52 1iie n MET 121 Ca 0.07 0.31 0.00 0.00 -1.81 0.00 0.00 57.70 56.27 1iie n MET 121 Cb 0.39 -4.36 0.00 0.00 -0.71 0.00 0.00 33.22 28.54 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 -2.25 0.00 -0.00 2.03 -1.04 -1.16 -4.61 114.28 107.24 1iie n THR 122 Ca 0.00 0.00 0.23 0.00 -2.04 0.00 0.00 64.05 62.24 1iie n THR 122 Cb 0.31 0.00 0.72 0.00 -1.82 0.00 0.00 70.33 69.54 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 0.02 -2.82 5.08 -1.78 1.91 114.58 117.00 1iie h GLU 123 Ca 0.00 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 58.14 1iie h GLU 123 Cb 0.00 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 1iie h GLU 123 CO 0.00 0.00 -1.02 -0.44 -1.00 0.00 0.00 179.01 176.55 1iie h ASP 124 N 0.00 0.07 1.02 1.42 5.19 -1.89 0.38 116.42 122.60 1iie h ASP 124 Ca 0.28 -0.07 -0.00 0.00 -0.62 0.00 0.00 57.03 56.61 1iie h ASP 124 Cb 1.32 -0.02 -0.00 0.00 0.18 0.00 0.00 39.33 40.81 1iie h ASP 124 CO -0.00 1.04 -0.98 -0.74 -3.12 0.00 0.00 179.24 175.43 1iie h HIS 125 N 0.01 0.00 0.06 4.55 2.76 0.49 -2.91 115.15 120.12 1iie h HIS 125 Ca -0.03 0.00 -0.32 0.00 -2.20 0.00 0.00 60.37 57.82 1iie h HIS 125 Cb 1.76 0.00 -0.03 0.00 1.55 0.00 0.00 27.41 30.69 1iie h HIS 125 CO 0.01 0.00 -1.82 0.28 -1.30 0.00 0.00 177.93 175.10 1iie h VAL 126 N 0.00 0.77 -0.49 5.26 2.07 0.25 -2.71 116.25 121.40 1iie h VAL 126 Ca -0.00 -2.55 -0.07 0.00 0.82 0.00 0.00 66.70 64.89 1iie h VAL 126 Cb 1.00 2.49 -0.02 0.00 -1.52 0.00 0.00 31.29 33.24 1iie h VAL 126 CO 0.00 0.70 0.01 -0.03 0.02 0.00 0.00 177.57 178.27 1iie h MET 127 N 0.04 0.81 -0.29 1.57 -1.53 -0.33 -0.89 114.93 114.31 1iie h MET 127 Ca -0.34 -0.21 -0.17 0.00 -3.44 0.00 0.00 59.70 55.53 1iie h MET 127 Cb 2.02 -0.10 -0.00 0.00 -0.55 0.00 0.00 31.60 32.97 1iie h MET 127 CO 0.09 0.81 -0.51 0.45 0.14 0.00 0.00 176.91 177.89 1iie h HIS 128 N 0.76 1.02 0.00 1.39 3.86 -1.60 0.31 115.15 120.88 1iie h HIS 128 Ca 0.15 -0.35 -0.01 0.00 -1.16 0.00 0.00 60.37 59.01 1iie h HIS 128 Cb 0.44 -0.20 -0.00 0.00 1.06 0.00 0.00 27.41 28.71 1iie h HIS 128 CO 0.02 1.15 -0.03 -0.07 0.86 0.00 0.00 177.93 179.86 1iie h LEU 129 N 0.64 0.00 0.00 2.43 -0.00 -1.06 -1.00 115.31 116.32 1iie h LEU 129 Ca 0.02 0.00 -0.11 0.00 -0.00 0.00 0.00 57.88 57.80 1iie h LEU 129 Cb 1.10 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.74 1iie h LEU 129 CO 0.11 0.03 -1.78 0.18 -0.00 0.00 0.00 178.44 176.98 1iie n LEU 130 N -3.45 0.32 0.00 1.67 4.77 -0.40 -3.43 117.00 116.49 1iie n LEU 130 Ca -0.02 0.13 0.14 0.00 -0.03 0.00 0.00 56.01 56.23 1iie n LEU 130 Cb 0.15 0.10 0.73 0.00 -2.33 0.00 0.00 43.42 42.06 1iie n LEU 130 CO 0.26 0.09 1.00 0.00 -1.33 0.00 0.00 177.39 177.41 1iie n GLN 131 N -2.55 0.39 -0.06 3.23 6.02 0.10 -2.43 117.38 122.07 1iie n GLN 131 Ca -0.10 0.01 -0.07 0.00 -0.01 0.00 0.00 57.00 56.83 1iie n GLN 131 Cb 0.74 -1.50 -0.09 0.00 1.02 0.00 0.00 30.24 30.41 1iie n GLN 131 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1iie n ASN 132 N -1.30 2.33 0.10 1.08 4.13 -0.84 -4.49 115.26 116.27 1iie n ASN 132 Ca 0.13 -0.02 -0.05 0.00 1.68 0.00 0.00 54.58 56.32 1iie n ASN 132 Cb 0.24 0.49 0.09 0.00 -1.54 0.00 0.00 39.78 39.07 1iie n ASN 132 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1iie h ALA 133 N 0.41 0.79 -3.26 5.41 0.00 -1.58 -3.42 119.26 117.60 1iie h ALA 133 Ca -0.32 -0.61 -0.47 0.00 0.00 0.00 0.00 54.91 53.52 1iie h ALA 133 Cb 1.66 -0.09 -0.37 0.00 0.00 0.00 0.00 17.79 18.99 1iie h ALA 133 CO -0.00 0.81 -0.78 -0.51 0.00 0.00 0.00 179.25 178.76 1iie s ASP 134 N -6.88 1.70 0.00 0.00 1.01 -1.02 -4.99 116.67 106.49 1iie s ASP 134 Ca -0.03 -0.17 0.22 0.00 0.71 0.00 0.00 52.55 53.28 1iie s ASP 134 Cb 0.12 -0.59 1.29 0.00 1.01 0.00 0.00 42.92 44.75 1iie s ASP 134 CO 0.80 -0.14 1.71 -0.81 0.21 0.00 0.00 175.17 176.93 1iie n PRO 135 N 4.88 0.79 -0.74 8.23 -0.04 -1.26 -3.19 135.00 143.67 1iie n PRO 135 Ca -0.12 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.40 1iie n PRO 135 Cb 0.50 -1.43 0.16 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 -0.93 2.26 -4.68 1.53 4.77 -1.26 -5.03 117.00 113.66 1iie n LEU 136 Ca 0.16 -3.37 -0.38 0.00 -0.03 0.00 0.00 56.01 52.39 1iie n LEU 136 Cb 0.07 -0.40 -0.08 0.00 -2.33 0.00 0.00 43.42 40.69 1iie n LEU 136 CO 0.12 1.13 0.06 -0.54 -1.33 0.00 0.00 177.39 176.83 1iie s LYS 137 N -2.46 4.18 0.01 3.23 -0.14 -1.19 -5.06 119.74 118.30 1iie s LYS 137 Ca 0.36 0.15 0.05 0.00 -1.36 0.00 0.00 55.97 55.16 1iie s LYS 137 Cb 0.36 -3.52 -0.02 0.00 -1.68 0.00 0.00 37.83 32.97 1iie s LYS 137 CO -0.08 0.01 -0.15 0.08 -0.76 0.00 0.00 175.35 174.45 1iie s VAL 138 N 1.15 1.22 -0.53 3.17 1.01 -1.26 -4.89 120.40 120.27 1iie s VAL 138 Ca 0.18 -0.78 0.04 0.00 0.00 0.00 0.00 61.98 61.41 1iie s VAL 138 Cb -0.14 -1.04 0.15 0.00 0.00 0.00 0.00 36.38 35.35 1iie s VAL 138 CO 0.07 0.25 0.33 -0.31 0.00 0.00 0.00 175.10 175.44 1iie s TYR 139 N -0.51 2.62 0.64 5.22 1.51 -1.26 -5.04 117.35 120.53 1iie s TYR 139 Ca 0.05 -2.86 -0.18 0.00 -1.01 0.00 0.00 57.07 53.07 1iie s TYR 139 Cb -0.07 -2.23 -0.04 0.00 -0.11 0.00 0.00 41.96 39.52 1iie s TYR 139 CO 0.00 -0.71 0.93 -0.35 -1.11 0.00 0.00 175.55 174.32 1iie n PRO 140 N 2.88 0.76 -1.92 -1.71 -0.04 -1.26 -4.78 135.00 128.94 1iie n PRO 140 Ca 0.14 0.30 -0.24 0.00 -0.04 0.00 0.00 63.50 63.66 1iie n PRO 140 Cb 0.36 -2.15 -0.05 0.00 -0.04 0.00 0.00 33.50 31.61 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 -2.88 2.31 -0.78 0.54 0.04 -1.26 -4.87 135.00 128.10 1iie s PRO 141 Ca 0.75 0.00 -0.26 0.00 0.04 0.00 0.00 61.00 61.54 1iie s PRO 141 Cb -0.40 -4.94 -0.00 0.00 0.04 0.00 0.00 34.50 29.21 1iie s PRO 141 CO 0.48 -3.59 1.67 -0.51 0.04 0.00 0.00 177.00 175.08 1iie s LEU 142 N 11.22 3.26 -0.01 -3.56 1.43 -1.26 -4.68 118.68 125.08 1iie s LEU 142 Ca 0.76 -0.41 0.16 0.00 -1.03 0.00 0.00 54.13 53.62 1iie s LEU 142 Cb -0.09 -2.55 -0.23 0.00 0.03 0.00 0.00 46.19 43.35 1iie s LEU 142 CO 0.03 -2.18 0.49 0.29 0.23 0.00 0.00 176.35 175.21 1iie n LYS 143 N 9.10 0.94 0.00 1.70 4.76 -1.26 -4.91 118.16 128.50 1iie n LYS 143 Ca 0.23 -0.09 0.00 0.00 -2.87 0.00 0.00 58.31 55.58 1iie n LYS 143 Cb 0.50 -1.35 0.00 0.00 -1.84 0.00 0.00 35.03 32.34 1iie n LYS 143 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1iie n GLY 144 N 1.49 -2.49 3.91 0.72 0.00 -1.26 -4.97 105.19 102.59 1iie n GLY 144 Ca -0.01 -1.08 -0.27 0.00 0.00 0.00 0.00 46.02 44.67 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 -1.85 6.36 0.35 1.61 0.01 -1.26 -4.66 113.70 114.26 1iie s SER 145 Ca 0.00 0.72 0.14 0.00 1.31 0.00 0.00 55.95 58.12 1iie s SER 145 Cb 0.00 -2.15 1.02 0.00 0.21 0.00 0.00 66.02 65.10 1iie s SER 145 CO 0.00 -0.34 1.71 0.15 0.41 0.00 0.00 173.24 175.17 1iie h PHE 146 N 0.99 0.89 0.00 2.43 3.57 -1.95 2.22 116.94 125.09 1iie h PHE 146 Ca -0.48 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.05 1iie h PHE 146 Cb 1.20 -0.25 0.00 0.00 2.79 0.00 0.00 35.95 39.69 1iie h PHE 146 CO 0.56 -0.02 0.00 -1.00 -2.23 0.00 0.00 178.31 175.62 1iie h PRO 147 N 0.44 0.00 0.09 6.41 0.13 -1.98 0.25 132.00 137.34 1iie h PRO 147 Ca 0.67 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 65.52 1iie h PRO 147 Cb 1.50 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.62 1iie h PRO 147 CO -0.48 0.00 -1.46 0.93 -0.23 0.00 0.00 178.00 176.77 1iie h GLU 148 N 0.00 0.20 -0.65 0.86 4.39 0.18 -1.45 114.58 118.12 1iie h GLU 148 Ca 0.00 -0.34 0.10 0.00 0.34 0.00 0.00 59.36 59.46 1iie h GLU 148 Cb 0.62 0.13 -0.04 0.00 -0.10 0.00 0.00 28.75 29.36 1iie h GLU 148 CO 0.00 1.16 0.43 -0.91 -1.16 0.00 0.00 179.01 178.54 1iie h ASN 149 N -0.37 0.43 0.00 1.42 -0.26 0.31 1.37 115.58 118.49 1iie h ASN 149 Ca -0.33 0.01 -0.02 0.00 -0.56 0.00 0.00 56.30 55.41 1iie h ASN 149 Cb 1.72 -0.08 -0.00 0.00 -1.06 0.00 0.00 38.32 38.89 1iie h ASN 149 CO 0.02 0.26 -0.10 -0.07 -1.06 0.00 0.00 177.43 176.48 1iie h LEU 150 N 0.48 0.00 -2.19 1.61 3.38 -0.57 -2.14 115.31 115.88 1iie h LEU 150 Ca 0.30 -0.82 -0.01 0.00 0.09 0.00 0.00 57.88 57.44 1iie h LEU 150 Cb 0.53 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.28 1iie h LEU 150 CO -0.09 0.96 -0.06 0.03 0.09 0.00 0.00 178.44 179.37 1iie h ARG 151 N -1.00 0.00 0.07 1.13 2.47 -0.88 0.22 114.38 116.38 1iie h ARG 151 Ca -0.02 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.69 1iie h ARG 151 Cb 0.88 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.20 1iie h ARG 151 CO -0.02 0.06 -0.03 1.25 0.56 0.00 0.00 179.97 181.79 1iie h HIS 152 N 0.00 -0.08 -0.88 3.04 2.76 0.18 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 0.22 0.03 -0.07 0.00 1.55 0.00 0.00 27.41 29.14 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 -0.80 0.69 0.15 0.26 3.38 -0.66 2.00 115.31 120.33 1iie h LEU 153 Ca -0.01 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 1iie h LEU 153 Cb 0.62 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.26 1iie h LEU 153 CO 0.01 0.38 -0.07 0.50 0.09 0.00 0.00 178.44 179.35 1iie h LYS 154 N 0.75 -0.20 0.00 1.13 3.11 -0.47 1.14 116.57 122.04 1iie h LYS 154 Ca 0.43 0.01 0.00 0.00 -2.81 0.00 0.00 60.65 58.28 1iie h LYS 154 Cb 0.60 0.05 0.00 0.00 -1.00 0.00 0.00 32.23 31.87 1iie h LYS 154 CO -0.19 0.24 0.00 -1.71 -2.81 0.00 0.00 179.45 174.98 1iie n ASN 155 N -4.93 0.00 0.01 4.20 4.05 0.42 -4.14 115.26 114.87 1iie n ASN 155 Ca -0.08 0.36 -0.02 0.00 0.45 0.00 0.00 54.58 55.30 1iie n ASN 155 Cb 0.27 -0.44 -0.01 0.00 1.23 0.00 0.00 39.78 40.83 1iie n ASN 155 CO 0.00 0.00 0.00 0.41 -3.05 0.00 0.00 177.26 174.62 1iie n THR 156 N -1.44 1.02 -0.31 -0.44 -1.04 0.67 -5.00 114.28 107.73 1iie n THR 156 Ca 0.06 0.30 -0.28 0.00 -2.04 0.00 0.00 64.05 62.08 1iie n THR 156 Cb 0.20 -1.63 0.27 0.00 -1.82 0.00 0.00 70.33 67.35 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 -3.46 -4.12 -2.01 -2.82 0.00 0.39 -4.83 117.12 100.27 1iie n MET 157 Ca -0.03 -1.22 -0.42 0.00 0.00 0.00 0.00 57.70 56.04 1iie n MET 157 Cb 0.10 -1.88 -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 -4.69 4.24 0.50 3.17 8.01 -1.26 -4.78 118.70 123.89 1iie s GLU 158 Ca 0.62 2.25 0.32 0.00 0.01 0.00 0.00 54.97 58.17 1iie s GLU 158 Cb -0.13 -3.37 1.43 0.00 -4.31 0.00 0.00 34.13 27.75 1iie s GLU 158 CO 0.54 -0.61 1.79 1.15 0.01 0.00 0.00 175.26 178.14 1iie h THR 159 N 4.43 0.42 0.00 3.63 2.02 -1.88 1.60 112.91 123.13 1iie h THR 159 Ca -0.42 -0.04 -0.17 0.00 0.77 0.00 0.00 66.41 66.55 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 0.91 0.02 -0.90 -0.29 0.37 0.00 0.00 175.52 175.63 1iie h ILE 160 N 0.11 1.23 0.00 3.11 2.10 -1.95 0.96 117.51 123.06 1iie h ILE 160 Ca 0.59 -2.79 -0.17 0.00 1.08 0.00 0.00 64.86 63.56 1iie h ILE 160 Cb 2.10 2.59 -0.02 0.00 -1.09 0.00 0.00 36.82 40.39 1iie h ILE 160 CO -0.10 0.70 -0.83 0.44 -1.08 0.00 0.00 178.15 177.28 1iie h ASP 161 N 0.00 0.01 0.12 2.19 5.19 0.13 -1.11 116.42 122.95 1iie h ASP 161 Ca -0.04 -0.01 -0.20 0.00 -0.62 0.00 0.00 57.03 56.16 1iie h ASP 161 Cb 1.63 -0.00 0.00 0.00 0.18 0.00 0.00 39.33 41.13 1iie h ASP 161 CO 0.09 0.83 -0.75 -0.25 -3.12 0.00 0.00 179.24 176.05 1iie h TRP 162 N 0.01 0.73 -0.42 4.55 2.91 0.20 0.90 115.95 124.82 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 1.46 -0.11 -0.04 0.00 -0.51 0.00 0.00 29.16 29.96 1iie h TRP 162 CO 0.00 1.10 0.19 0.87 -1.03 0.00 0.00 178.44 179.58 1iie h LYS 163 N 0.37 0.38 -0.20 2.65 1.79 0.14 0.85 116.57 122.55 1iie h LYS 163 Ca -0.04 -0.02 -0.17 0.00 -2.18 0.00 0.00 60.65 58.24 1iie h LYS 163 Cb 1.34 -0.09 -0.00 0.00 -1.58 0.00 0.00 32.23 31.90 1iie h LYS 163 CO 0.14 0.25 -0.56 0.28 -1.08 0.00 0.00 179.45 178.48 1iie h VAL 164 N 0.39 1.31 -0.40 0.50 2.07 -1.01 -1.58 116.25 117.53 1iie h VAL 164 Ca 0.19 -1.80 -0.09 0.00 0.82 0.00 0.00 66.70 65.81 1iie h VAL 164 Cb 0.12 1.76 -0.01 0.00 -1.52 0.00 0.00 31.29 31.64 1iie h VAL 164 CO -0.15 0.56 -0.12 0.15 0.02 0.00 0.00 177.57 178.04 1iie h PHE 165 N 0.46 0.89 -0.38 1.57 3.57 0.19 0.38 116.94 123.63 1iie h PHE 165 Ca 0.01 -0.20 -0.00 0.00 3.53 0.00 0.00 57.97 61.30 1iie h PHE 165 Cb 1.12 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 39.62 1iie h PHE 165 CO 0.05 0.93 0.23 0.93 -2.23 0.00 0.00 178.31 178.21 1iie h GLU 166 N 0.60 0.52 -0.10 1.11 4.39 0.75 0.90 114.58 122.75 1iie h GLU 166 Ca 0.10 -0.05 -0.03 0.00 0.34 0.00 0.00 59.36 59.72 1iie h GLU 166 Cb 0.65 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 29.19 1iie h GLU 166 CO 0.04 0.40 -0.06 0.77 -1.16 0.00 0.00 179.01 179.01 1iie h SER 167 N 0.50 0.13 -0.23 1.42 0.02 -1.01 0.82 113.55 115.19 1iie h SER 167 Ca 0.14 -0.02 -0.17 0.00 -0.84 0.00 0.00 61.79 60.90 1iie h SER 167 Cb 0.02 -0.03 -0.00 0.00 0.14 0.00 0.00 62.40 62.52 1iie h SER 167 CO -0.02 0.21 -0.51 -0.25 -1.14 0.00 0.00 176.83 175.12 1iie h TRP 168 N 0.14 1.00 -0.21 3.45 7.01 0.24 0.38 115.95 127.97 1iie h TRP 168 Ca 0.03 -0.34 -0.16 0.00 2.11 0.00 0.00 58.89 60.53 1iie h TRP 168 Cb 0.20 -0.20 -0.01 0.00 -2.10 0.00 0.00 29.16 27.06 1iie h TRP 168 CO 0.00 1.15 -0.54 0.52 -2.79 0.00 0.00 178.44 176.78 1iie h MET 169 N 0.63 0.61 -0.06 2.65 2.86 0.22 0.49 114.93 122.33 1iie h MET 169 Ca 0.02 -0.38 -0.01 0.00 -2.06 0.00 0.00 59.70 57.28 1iie h MET 169 Cb 1.09 0.04 -0.00 0.00 0.06 0.00 0.00 31.60 32.79 1iie h MET 169 CO 0.11 0.99 0.01 1.25 1.06 0.00 0.00 176.91 180.33 1iie h HIS 170 N 0.47 0.12 -0.33 -0.22 -0.00 0.85 0.94 115.15 116.99 1iie h HIS 170 Ca 0.01 -0.02 -0.02 0.00 -0.00 0.00 0.00 60.37 60.35 1iie h HIS 170 Cb 1.09 -0.03 -0.01 0.00 -0.00 0.00 0.00 27.41 28.45 1iie h HIS 170 CO 0.05 0.35 0.13 0.45 -0.00 0.00 0.00 177.93 178.91 1iie h HIS 171 N -0.15 0.50 -0.94 5.26 -0.00 -0.13 0.40 115.15 120.09 1iie h HIS 171 Ca 0.02 -0.04 0.15 0.00 -0.00 0.00 0.00 60.37 60.50 1iie h HIS 171 Cb 0.30 -0.15 -0.09 0.00 -0.00 0.00 0.00 27.41 27.46 1iie h HIS 171 CO 0.02 0.47 0.55 2.35 -0.00 0.00 0.00 177.93 181.32 1iie h TRP 172 N 0.38 0.98 0.46 2.45 7.01 0.23 -0.23 115.95 127.22 1iie h TRP 172 Ca 0.11 0.03 -0.02 0.00 2.11 0.00 0.00 58.89 61.12 1iie h TRP 172 Cb 0.19 -0.29 0.00 0.00 -2.10 0.00 0.00 29.16 26.96 1iie h TRP 172 CO -0.00 0.29 -0.22 1.25 -2.79 0.00 0.00 178.44 176.97 1iie h LEU 173 N 0.79 -0.52 -0.04 0.65 5.85 0.25 -2.64 115.31 119.65 1iie h LEU 173 Ca 0.50 -0.09 0.01 0.00 0.84 0.00 0.00 57.88 59.14 1iie h LEU 173 Cb 0.65 0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.79 1iie h LEU 173 CO -0.33 -0.14 -0.25 -0.07 -0.34 0.00 0.00 178.44 177.32 1iie h LEU 174 N -0.98 -0.77 -0.31 2.25 3.38 0.30 0.42 115.31 119.60 1iie h LEU 174 Ca -0.06 0.09 0.03 0.00 0.09 0.00 0.00 57.88 58.03 1iie h LEU 174 Cb 0.58 0.30 -0.04 0.00 0.09 0.00 0.00 40.66 41.59 1iie h LEU 174 CO 0.10 -0.22 -0.18 0.33 0.09 0.00 0.00 178.44 178.56 1iie n PHE 175 N -3.85 -0.14 -0.34 1.13 -0.00 -0.15 0.15 117.46 114.26 1iie n PHE 175 Ca -0.03 0.39 0.12 0.00 -0.00 0.00 0.00 57.45 57.93 1iie n PHE 175 Cb 0.17 -0.49 0.31 0.00 -0.00 0.00 0.00 39.48 39.47 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 0.71 0.23 -4.13 5.08 -1.26 1.07 114.58 116.27 1iie h GLU 176 Ca 0.05 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 1iie h GLU 176 Cb 0.13 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.22 1iie h GLU 176 CO -0.29 0.47 -0.11 1.98 -1.00 0.00 0.00 179.01 180.06 1iie h MET 177 N 0.73 -0.29 -0.98 2.33 4.05 0.22 -2.22 114.93 118.77 1iie h MET 177 Ca 0.56 0.02 0.03 0.00 -0.28 0.00 0.00 59.70 60.03 1iie h MET 177 Cb 0.87 0.07 -0.05 0.00 -0.80 0.00 0.00 31.60 31.68 1iie h MET 177 CO -0.39 0.06 0.64 0.66 0.23 0.00 0.00 176.91 178.12 1iie h SER 178 N -0.73 1.08 -0.20 1.39 4.64 0.23 -1.46 113.55 118.51 1iie h SER 178 Ca -0.03 -0.02 -0.00 0.00 -0.47 0.00 0.00 61.79 61.27 1iie h SER 178 Cb 0.49 -0.25 -0.00 0.00 -0.31 0.00 0.00 62.40 62.33 1iie h SER 178 CO 0.05 0.75 0.00 -2.11 -0.87 0.00 0.00 176.83 174.66 1iie n ARG 179 N -4.42 2.32 -0.97 4.77 -4.01 0.36 -4.29 116.66 110.42 1iie n ARG 179 Ca 0.13 -1.08 -0.20 0.00 -1.04 0.00 0.00 57.85 55.66 1iie n ARG 179 Cb 0.07 -1.76 0.05 0.00 -3.04 0.00 0.00 32.46 27.79 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 0.21 1.93 0.34 2.89 -0.00 -0.55 -4.43 115.22 115.61 1iie n HIS 180 Ca 0.10 -2.13 0.15 0.00 0.46 0.00 0.00 57.72 56.29 1iie n HIS 180 Cb 0.58 -1.03 0.52 0.00 -0.12 0.00 0.00 29.99 29.94 1iie n HIS 180 CO 0.00 0.00 0.00 0.66 0.46 0.00 0.00 176.34 177.46 1iie h SER 181 N 1.50 0.00 0.00 0.26 4.64 -1.83 -3.30 113.55 114.81 1iie h SER 181 Ca 0.37 0.00 -0.30 0.00 -0.47 0.00 0.00 61.79 61.38 1iie h SER 181 Cb 1.01 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.05 1iie h SER 181 CO 0.93 0.00 -2.13 0.18 -0.87 0.00 0.00 176.83 174.94 1iie n LEU 182 N -2.78 2.75 -3.09 5.97 4.77 -1.26 -4.62 117.00 118.73 1iie n LEU 182 Ca 0.02 -0.05 -0.34 0.00 -0.03 0.00 0.00 56.01 55.61 1iie n LEU 182 Cb 0.33 -0.68 -0.05 0.00 -2.33 0.00 0.00 43.42 40.69 1iie n LEU 182 CO 0.27 0.77 3.09 -0.62 -1.33 0.00 0.00 177.39 179.57 1iie n GLU 183 N -3.21 3.44 -3.68 3.23 1.02 -1.24 -4.81 120.64 115.38 1iie n GLU 183 Ca -0.36 -2.02 -0.14 0.00 -0.02 0.00 0.00 57.16 54.62 1iie n GLU 183 Cb 0.86 -2.66 -0.08 0.00 -0.02 0.00 0.00 31.44 29.53 1iie n GLU 183 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 1iie s GLN 184 N 1.90 0.69 0.19 3.49 -1.52 -1.26 -4.99 119.66 118.15 1iie s GLN 184 Ca 0.69 0.53 0.08 0.00 -1.95 0.00 0.00 55.36 54.71 1iie s GLN 184 Cb 0.20 0.33 -0.04 0.00 -0.22 0.00 0.00 33.01 33.28 1iie s GLN 184 CO -0.05 -0.13 -0.03 -1.59 -0.25 0.00 0.00 175.29 173.25 1iie s LYS 185 N -0.17 2.30 0.99 2.91 0.00 -1.26 -5.08 119.74 119.42 1iie s LYS 185 Ca -0.04 -1.18 -0.13 0.00 0.00 0.00 0.00 55.97 54.63 1iie s LYS 185 Cb -0.03 -2.28 0.18 0.00 0.00 0.00 0.00 37.83 35.70 1iie s LYS 185 CO 0.03 0.44 1.11 -1.25 0.00 0.00 0.00 175.35 175.67 1iie s PRO 186 N -2.99 0.52 0.23 1.78 0.04 -1.26 -5.08 135.00 128.24 1iie s PRO 186 Ca 0.27 0.41 0.01 0.00 0.04 0.00 0.00 61.00 61.72 1iie s PRO 186 Cb -0.09 -1.76 -0.04 0.00 0.04 0.00 0.00 34.50 32.65 1iie s PRO 186 CO 0.18 -2.65 0.14 0.99 0.04 0.00 0.00 177.00 175.70 1iie s THR 187 N -3.06 0.11 -0.47 1.26 2.01 -1.26 -5.12 115.64 109.11 1iie s THR 187 Ca 0.65 -2.00 0.04 0.00 0.31 0.00 0.00 61.69 60.69 1iie s THR 187 Cb -0.17 -2.52 0.21 0.00 0.01 0.00 0.00 72.50 70.02 1iie s THR 187 CO 0.56 0.00 0.85 -0.67 -0.69 0.00 0.00 174.62 174.68 1iie n ASP 188 N -0.49 -2.87 -2.98 3.53 2.03 -1.26 -5.07 116.55 109.44 1iie n ASP 188 Ca 0.02 -2.51 -0.13 0.00 0.52 0.00 0.00 54.79 52.69 1iie n ASP 188 Cb 0.66 1.51 -0.02 0.00 -0.72 0.00 0.00 41.12 42.54 1iie n ASP 188 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1iie n ALA 189 N 2.62 -0.01 -1.78 -1.67 0.00 -1.26 -5.13 120.51 113.28 1iie n ALA 189 Ca 0.15 -1.94 -0.35 0.00 0.00 0.00 0.00 53.44 51.30 1iie n ALA 189 Cb 0.60 -1.18 -0.01 0.00 0.00 0.00 0.00 19.45 18.85 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 0.37 3.53 -1.13 0.00 0.04 -1.26 -4.91 135.00 131.64 1iie s PRO 190 Ca 0.32 1.50 -0.22 0.00 0.04 0.00 0.00 61.00 62.64 1iie s PRO 190 Cb 0.07 -2.04 -0.03 0.00 0.04 0.00 0.00 34.50 32.55 1iie s PRO 190 CO -0.14 -0.69 1.84 -1.25 0.04 0.00 0.00 177.00 176.81 1iie s PRO 191 N -3.28 2.96 0.00 0.56 0.04 -1.26 -5.35 135.00 128.66 1iie s PRO 191 Ca 0.70 -1.14 0.12 0.00 0.04 0.00 0.00 61.00 60.72 1iie s PRO 191 Cb -0.21 -5.28 0.69 0.00 0.04 0.00 0.00 34.50 29.74 1iie s PRO 191 CO 0.24 -3.27 1.12 1.17 0.04 0.00 0.00 177.00 176.31