#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 -1.16 0.00 -7.48 0.00 -1.26 -4.92 105.19 90.37 1iie n GLY 119 Ca 0.00 0.52 0.00 0.00 0.00 0.00 0.00 46.02 46.54 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 -2.54 0.00 -1.64 1.61 5.15 -1.26 -4.97 115.26 111.61 1iie n ASN 120 Ca -0.08 -1.00 -0.14 0.00 -0.60 0.00 0.00 54.58 52.76 1iie n ASN 120 Cb 0.58 0.00 -0.05 0.00 -0.53 0.00 0.00 39.78 39.78 1iie n ASN 120 CO 0.00 0.00 0.00 0.23 1.40 0.00 0.00 177.26 178.89 1iie n MET 121 N 0.00 -1.49 -0.13 1.20 2.81 -1.26 -4.76 117.12 113.48 1iie n MET 121 Ca 0.00 0.79 -0.26 0.00 -1.81 0.00 0.00 57.70 56.42 1iie n MET 121 Cb 0.37 -5.13 -0.10 0.00 -0.71 0.00 0.00 33.22 27.65 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 -2.29 1.47 -0.12 2.03 -1.04 -1.26 -3.99 114.28 109.08 1iie n THR 122 Ca -0.15 -0.43 0.17 0.00 -2.04 0.00 0.00 64.05 61.61 1iie n THR 122 Cb 0.50 -1.73 0.56 0.00 -1.82 0.00 0.00 70.33 67.84 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 -0.69 0.29 0.00 -2.82 5.08 -1.96 1.98 114.58 116.46 1iie h GLU 123 Ca -0.65 -0.02 -0.10 0.00 -1.00 0.00 0.00 59.36 57.59 1iie h GLU 123 Cb 1.68 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.85 1iie h GLU 123 CO -0.32 0.19 -0.47 -0.44 -1.00 0.00 0.00 179.01 176.97 1iie h ASP 124 N 0.30 0.00 0.91 1.42 3.32 -1.96 0.83 116.42 121.23 1iie h ASP 124 Ca 0.34 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.34 1iie h ASP 124 Cb 0.90 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.44 1iie h ASP 124 CO -0.08 0.47 -1.13 1.57 -1.72 0.00 0.00 179.24 178.35 1iie n HIS 125 N -3.37 0.98 -0.00 4.55 -0.00 0.22 -2.54 115.22 115.06 1iie n HIS 125 Ca 0.01 0.30 -0.14 0.00 0.46 0.00 0.00 57.72 58.34 1iie n HIS 125 Cb 0.64 -1.00 -0.14 0.00 -0.12 0.00 0.00 29.99 29.37 1iie n HIS 125 CO 0.00 0.00 0.00 0.28 0.46 0.00 0.00 176.34 177.08 1iie h VAL 126 N 0.00 0.79 -0.43 3.57 2.07 0.29 -2.74 116.25 119.79 1iie h VAL 126 Ca -0.05 -2.57 -0.09 0.00 0.82 0.00 0.00 66.70 64.82 1iie h VAL 126 Cb 1.17 2.49 -0.02 0.00 -1.52 0.00 0.00 31.29 33.41 1iie h VAL 126 CO 0.01 0.69 -0.08 -0.03 0.02 0.00 0.00 177.57 178.18 1iie h MET 127 N 0.04 0.76 -0.16 1.57 -1.53 0.60 -1.30 114.93 114.90 1iie h MET 127 Ca -0.34 -0.24 -0.19 0.00 -3.44 0.00 0.00 59.70 55.49 1iie h MET 127 Cb 2.02 -0.07 0.00 0.00 -0.55 0.00 0.00 31.60 33.00 1iie h MET 127 CO 0.09 0.82 -0.68 1.25 0.14 0.00 0.00 176.91 178.53 1iie h HIS 128 N 0.69 0.86 0.00 1.39 6.17 -1.59 0.37 115.15 123.04 1iie h HIS 128 Ca 0.12 -0.35 -0.00 0.00 0.71 0.00 0.00 60.37 60.85 1iie h HIS 128 Cb 0.55 -0.14 -0.00 0.00 2.52 0.00 0.00 27.41 30.33 1iie h HIS 128 CO 0.03 1.14 -0.02 -0.07 0.71 0.00 0.00 177.93 179.72 1iie h LEU 129 N 0.47 0.00 0.00 0.26 -0.00 -1.11 -1.29 115.31 113.64 1iie h LEU 129 Ca -0.02 0.00 -0.12 0.00 -0.00 0.00 0.00 57.88 57.74 1iie h LEU 129 Cb 1.27 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.91 1iie h LEU 129 CO 0.13 0.02 -2.06 0.18 -0.00 0.00 0.00 178.44 176.71 1iie n LEU 130 N -3.28 0.06 -0.02 1.67 4.77 -0.54 -3.65 117.00 116.01 1iie n LEU 130 Ca -0.02 0.03 0.15 0.00 -0.03 0.00 0.00 56.01 56.13 1iie n LEU 130 Cb 0.14 0.15 0.72 0.00 -2.33 0.00 0.00 43.42 42.11 1iie n LEU 130 CO 0.24 0.15 0.99 0.00 -1.33 0.00 0.00 177.39 177.44 1iie n GLN 131 N -2.45 0.45 -0.04 3.23 6.02 0.13 -2.63 117.38 122.09 1iie n GLN 131 Ca -0.13 -0.04 -0.03 0.00 -0.01 0.00 0.00 57.00 56.79 1iie n GLN 131 Cb 0.76 -1.50 -0.08 0.00 1.02 0.00 0.00 30.24 30.44 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 -1.24 2.39 0.10 1.08 4.05 -0.77 -4.47 115.26 116.40 1iie n ASN 132 Ca 0.14 0.00 -0.03 0.00 0.45 0.00 0.00 54.58 55.14 1iie n ASN 132 Cb 0.25 0.94 -0.00 0.00 1.23 0.00 0.00 39.78 42.20 1iie n ASN 132 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1iie h ALA 133 N 0.65 0.58 -3.37 5.20 0.00 -1.62 -3.43 119.26 117.26 1iie h ALA 133 Ca -0.22 -0.73 -0.38 0.00 0.00 0.00 0.00 54.91 53.58 1iie h ALA 133 Cb 1.39 -0.13 -0.36 0.00 0.00 0.00 0.00 17.79 18.68 1iie h ALA 133 CO 0.01 1.00 -0.75 -0.51 0.00 0.00 0.00 179.25 179.00 1iie s ASP 134 N -6.68 0.99 0.00 0.00 1.01 -1.08 -4.99 116.67 105.92 1iie s ASP 134 Ca 0.01 -0.03 0.25 0.00 0.71 0.00 0.00 52.55 53.49 1iie s ASP 134 Cb 0.10 -0.29 1.46 0.00 1.01 0.00 0.00 42.92 45.21 1iie s ASP 134 CO 0.79 -0.16 1.85 -0.81 0.21 0.00 0.00 175.17 177.04 1iie n PRO 135 N 4.73 0.72 -0.42 8.23 -0.04 -1.26 -3.08 135.00 143.88 1iie n PRO 135 Ca -0.15 0.01 0.07 0.00 -0.04 0.00 0.00 63.50 63.39 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 -1.04 2.75 -4.75 1.53 7.99 -1.26 -5.01 117.00 117.21 1iie n LEU 136 Ca 0.18 -3.56 -0.35 0.00 -0.01 0.00 0.00 56.01 52.26 1iie n LEU 136 Cb 0.10 -0.50 -0.08 0.00 -0.11 0.00 0.00 43.42 42.83 1iie n LEU 136 CO 0.15 1.11 -0.16 -0.54 -1.51 0.00 0.00 177.39 176.44 1iie s LYS 137 N -3.09 4.10 0.05 3.23 -0.14 -1.18 -5.08 119.74 117.63 1iie s LYS 137 Ca 0.37 -0.17 0.01 0.00 -1.36 0.00 0.00 55.97 54.81 1iie s LYS 137 Cb 0.34 -3.39 -0.03 0.00 -1.68 0.00 0.00 37.83 33.07 1iie s LYS 137 CO -0.02 0.36 -0.05 0.08 -0.76 0.00 0.00 175.35 174.95 1iie s VAL 138 N 0.18 0.41 -0.46 3.17 1.01 -1.26 -4.85 120.40 118.59 1iie s VAL 138 Ca 0.10 -1.39 0.03 0.00 0.00 0.00 0.00 61.98 60.72 1iie s VAL 138 Cb -0.11 -0.97 0.16 0.00 0.00 0.00 0.00 36.38 35.46 1iie s VAL 138 CO -0.01 -0.66 0.34 -0.31 0.00 0.00 0.00 175.10 174.47 1iie s TYR 139 N -2.46 1.62 0.60 5.22 1.51 -1.26 -5.10 117.35 117.48 1iie s TYR 139 Ca -0.03 -2.44 -0.19 0.00 -1.01 0.00 0.00 57.07 53.40 1iie s TYR 139 Cb -0.03 -1.37 -0.04 0.00 -0.11 0.00 0.00 41.96 40.41 1iie s TYR 139 CO -0.03 -0.77 1.14 -0.35 -1.11 0.00 0.00 175.55 174.43 1iie n PRO 140 N 2.92 1.13 -1.80 -1.71 -0.04 -1.26 -4.81 135.00 129.43 1iie n PRO 140 Ca 0.23 0.43 -0.39 0.00 -0.04 0.00 0.00 63.50 63.73 1iie n PRO 140 Cb 0.42 -2.35 -0.03 0.00 -0.04 0.00 0.00 33.50 31.50 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 -2.94 2.66 -1.24 0.54 0.04 -1.26 -4.87 135.00 127.93 1iie s PRO 141 Ca 0.77 1.26 -0.11 0.00 0.04 0.00 0.00 61.00 62.96 1iie s PRO 141 Cb -0.41 -4.42 0.18 0.00 0.04 0.00 0.00 34.50 29.89 1iie s PRO 141 CO 0.46 -2.65 1.65 1.28 0.04 0.00 0.00 177.00 177.78 1iie n LEU 142 N 13.20 5.98 0.05 -3.56 4.77 -1.26 -4.67 117.00 131.51 1iie n LEU 142 Ca 0.28 -4.59 0.12 0.00 -0.03 0.00 0.00 56.01 51.79 1iie n LEU 142 Cb 0.51 -1.54 0.14 0.00 -2.33 0.00 0.00 43.42 40.21 1iie n LEU 142 CO 0.70 1.10 0.28 0.29 -1.33 0.00 0.00 177.39 178.42 1iie n LYS 143 N 4.56 0.29 0.00 3.23 5.02 -1.26 -4.49 118.16 125.51 1iie n LYS 143 Ca 0.38 0.07 0.00 0.00 -2.02 0.00 0.00 58.31 56.73 1iie n LYS 143 Cb 0.39 -1.66 0.00 0.00 -0.02 0.00 0.00 35.03 33.74 1iie n LYS 143 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1iie n GLY 144 N 1.35 -3.21 3.55 0.72 0.00 -1.26 -4.94 105.19 101.40 1iie n GLY 144 Ca 0.03 0.38 -0.08 0.00 0.00 0.00 0.00 46.02 46.34 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 -2.50 -0.30 0.29 1.61 0.01 -1.26 -4.94 113.70 106.60 1iie s SER 145 Ca 0.00 0.14 0.04 0.00 1.31 0.00 0.00 55.95 57.44 1iie s SER 145 Cb 0.00 0.29 0.69 0.00 0.21 0.00 0.00 66.02 67.21 1iie s SER 145 CO 0.00 -0.41 1.76 0.15 0.41 0.00 0.00 173.24 175.15 1iie h PHE 146 N 2.20 0.95 0.00 2.43 3.57 -1.92 3.05 116.94 127.21 1iie h PHE 146 Ca -0.17 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.36 1iie h PHE 146 Cb 1.20 -0.27 0.00 0.00 2.79 0.00 0.00 35.95 39.66 1iie h PHE 146 CO 0.27 0.18 0.00 -1.00 -2.23 0.00 0.00 178.31 175.53 1iie h PRO 147 N 0.68 0.00 0.13 6.41 0.13 -1.98 0.23 132.00 137.60 1iie h PRO 147 Ca 0.55 0.00 -0.35 0.00 -0.87 0.00 0.00 66.00 65.33 1iie h PRO 147 Cb 0.87 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.99 1iie h PRO 147 CO -0.40 0.00 -1.91 0.93 -0.23 0.00 0.00 178.00 176.39 1iie h GLU 148 N 0.00 0.27 -0.20 0.86 4.39 -0.46 -2.62 114.58 116.82 1iie h GLU 148 Ca 0.00 -0.46 -0.04 0.00 0.34 0.00 0.00 59.36 59.20 1iie h GLU 148 Cb 0.74 0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 29.54 1iie h GLU 148 CO 0.00 1.22 -0.06 -0.91 -1.16 0.00 0.00 179.01 178.10 1iie h ASN 149 N 0.00 0.29 0.10 1.42 2.35 0.53 1.35 115.58 121.63 1iie h ASN 149 Ca -0.41 -0.05 -0.16 0.00 -0.55 0.00 0.00 56.30 55.14 1iie h ASN 149 Cb 1.99 -0.07 0.02 0.00 0.05 0.00 0.00 38.32 40.31 1iie h ASN 149 CO 0.08 0.39 -0.67 -0.07 -1.65 0.00 0.00 177.43 175.51 1iie h LEU 150 N 0.30 0.41 -1.25 1.61 3.38 -0.63 -1.61 115.31 117.53 1iie h LEU 150 Ca 0.07 -0.93 -0.05 0.00 0.09 0.00 0.00 57.88 57.06 1iie h LEU 150 Cb 0.30 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 1iie h LEU 150 CO 0.01 1.31 -0.23 0.03 0.09 0.00 0.00 178.44 179.65 1iie h ARG 151 N -0.42 0.00 0.10 1.13 2.47 -1.18 0.37 114.38 116.86 1iie h ARG 151 Ca -0.11 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.60 1iie h ARG 151 Cb 1.51 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.83 1iie h ARG 151 CO 0.13 0.23 -0.05 1.25 0.56 0.00 0.00 179.97 182.09 1iie h HIS 152 N 0.00 -0.13 -0.86 3.04 2.76 0.18 1.23 115.15 121.38 1iie h HIS 152 Ca -0.00 -0.00 0.14 0.00 -2.20 0.00 0.00 60.37 58.30 1iie h HIS 152 Cb 0.69 0.04 -0.07 0.00 1.55 0.00 0.00 27.41 29.63 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 -0.83 0.61 0.18 0.26 3.38 -1.12 1.95 115.31 119.74 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 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.24 1iie h LEU 153 CO 0.02 0.32 -0.09 0.50 0.09 0.00 0.00 178.44 179.28 1iie h LYS 154 N 0.65 -0.24 0.00 1.13 3.11 -0.79 1.18 116.57 121.61 1iie h LYS 154 Ca 0.43 0.02 0.00 0.00 -2.81 0.00 0.00 60.65 58.28 1iie h LYS 154 Cb 0.71 0.05 0.00 0.00 -1.00 0.00 0.00 32.23 32.00 1iie h LYS 154 CO -0.18 0.17 0.00 0.09 -2.81 0.00 0.00 179.45 176.71 1iie n ASN 155 N -4.95 0.00 0.01 4.20 3.02 0.42 -4.11 115.26 113.85 1iie n ASN 155 Ca -0.08 0.42 -0.02 0.00 -0.03 0.00 0.00 54.58 54.87 1iie n ASN 155 Cb 0.26 -0.46 -0.01 0.00 -0.61 0.00 0.00 39.78 38.96 1iie n ASN 155 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 1iie n THR 156 N -1.46 0.92 -0.36 3.41 -1.04 0.65 -5.01 114.28 111.39 1iie n THR 156 Ca 0.05 0.28 -0.28 0.00 -2.04 0.00 0.00 64.05 62.06 1iie n THR 156 Cb 0.18 -1.58 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 -3.37 -3.71 -1.94 -2.82 0.00 0.40 -4.83 117.12 100.86 1iie n MET 157 Ca -0.02 -1.09 -0.42 0.00 0.00 0.00 0.00 57.70 56.17 1iie n MET 157 Cb 0.09 -1.89 -0.03 0.00 0.00 0.00 0.00 33.22 31.39 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 -4.52 4.21 0.49 3.17 8.01 -1.26 -4.77 118.70 124.03 1iie s GLU 158 Ca 0.62 2.35 0.31 0.00 0.01 0.00 0.00 54.97 58.25 1iie s GLU 158 Cb -0.14 -3.30 1.41 0.00 -4.31 0.00 0.00 34.13 27.79 1iie s GLU 158 CO 0.56 -0.64 1.79 1.15 0.01 0.00 0.00 175.26 178.12 1iie h THR 159 N 4.28 0.43 0.00 3.63 2.02 -1.88 1.78 112.91 123.16 1iie h THR 159 Ca -0.43 -0.04 -0.19 0.00 0.77 0.00 0.00 66.41 66.53 1iie h THR 159 Cb 1.20 0.29 -0.03 0.00 -1.74 0.00 0.00 68.15 67.88 1iie h THR 159 CO 0.92 0.02 -0.95 -0.29 0.37 0.00 0.00 175.52 175.59 1iie h ILE 160 N 0.12 1.32 0.00 3.11 2.10 -1.96 1.03 117.51 123.23 1iie h ILE 160 Ca 0.59 -2.93 -0.18 0.00 1.08 0.00 0.00 64.86 63.42 1iie h ILE 160 Cb 2.06 2.64 -0.02 0.00 -1.09 0.00 0.00 36.82 40.40 1iie h ILE 160 CO -0.12 0.75 -0.83 0.44 -1.08 0.00 0.00 178.15 177.31 1iie h ASP 161 N 0.00 0.08 0.14 2.19 5.19 0.12 -0.64 116.42 123.50 1iie h ASP 161 Ca -0.04 -0.06 -0.19 0.00 -0.62 0.00 0.00 57.03 56.12 1iie h ASP 161 Cb 1.67 -0.02 -0.00 0.00 0.18 0.00 0.00 39.33 41.16 1iie h ASP 161 CO 0.10 0.87 -0.71 -0.25 -3.12 0.00 0.00 179.24 176.13 1iie h TRP 162 N 0.03 0.68 -0.17 4.55 2.91 0.23 0.89 115.95 125.07 1iie h TRP 162 Ca -0.02 -0.29 0.02 0.00 1.13 0.00 0.00 58.89 59.73 1iie h TRP 162 Cb 1.46 -0.11 -0.02 0.00 -0.51 0.00 0.00 29.16 29.98 1iie h TRP 162 CO 0.01 1.06 0.05 0.87 -1.03 0.00 0.00 178.44 179.39 1iie h LYS 163 N 0.35 0.12 -0.35 2.65 1.79 0.16 1.01 116.57 122.30 1iie h LYS 163 Ca -0.03 -0.01 -0.11 0.00 -2.18 0.00 0.00 60.65 58.32 1iie h LYS 163 Cb 1.29 -0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 31.90 1iie h LYS 163 CO 0.13 0.08 -0.23 0.28 -1.08 0.00 0.00 179.45 178.62 1iie h VAL 164 N 0.13 1.27 -0.37 0.50 2.07 -0.95 -0.04 116.25 118.86 1iie h VAL 164 Ca 0.07 -1.33 -0.10 0.00 0.82 0.00 0.00 66.70 66.17 1iie h VAL 164 Cb 0.05 1.25 -0.01 0.00 -1.52 0.00 0.00 31.29 31.07 1iie h VAL 164 CO -0.09 0.44 -0.15 0.15 0.02 0.00 0.00 177.57 177.94 1iie h PHE 165 N 0.61 0.86 -0.32 1.57 3.57 0.19 0.51 116.94 123.92 1iie h PHE 165 Ca 0.08 -0.21 -0.00 0.00 3.53 0.00 0.00 57.97 61.37 1iie h PHE 165 Cb 0.72 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 39.25 1iie h PHE 165 CO 0.03 0.93 0.18 0.93 -2.23 0.00 0.00 178.31 178.16 1iie h GLU 166 N 0.54 0.45 -0.25 1.11 4.39 0.12 0.78 114.58 121.71 1iie h GLU 166 Ca 0.08 -0.05 -0.02 0.00 0.34 0.00 0.00 59.36 59.72 1iie h GLU 166 Cb 0.69 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 29.24 1iie h GLU 166 CO 0.05 0.37 0.08 0.77 -1.16 0.00 0.00 179.01 179.12 1iie h SER 167 N 0.40 0.32 -0.45 1.42 0.02 -0.76 0.85 113.55 115.35 1iie h SER 167 Ca 0.11 -0.03 -0.14 0.00 -0.84 0.00 0.00 61.79 60.90 1iie h SER 167 Cb 0.05 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 62.49 1iie h SER 167 CO -0.02 0.31 -0.26 -0.25 -1.14 0.00 0.00 176.83 175.47 1iie h TRP 168 N 0.36 1.13 -0.21 3.45 7.01 0.22 0.46 115.95 128.36 1iie h TRP 168 Ca 0.09 -0.29 -0.16 0.00 2.11 0.00 0.00 58.89 60.64 1iie h TRP 168 Cb 0.11 -0.26 -0.01 0.00 -2.10 0.00 0.00 29.16 26.90 1iie h TRP 168 CO 0.00 1.11 -0.54 0.52 -2.79 0.00 0.00 178.44 176.75 1iie h MET 169 N 0.83 0.62 -0.24 2.65 2.86 0.21 0.48 114.93 122.34 1iie h MET 169 Ca 0.10 -0.39 -0.03 0.00 -2.06 0.00 0.00 59.70 57.32 1iie h MET 169 Cb 0.84 0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.53 1iie h MET 169 CO 0.07 1.00 0.02 1.25 1.06 0.00 0.00 176.91 180.31 1iie h HIS 170 N 0.48 0.44 -0.24 -0.22 -0.00 0.99 0.87 115.15 117.47 1iie h HIS 170 Ca 0.01 -0.07 -0.03 0.00 -0.00 0.00 0.00 60.37 60.28 1iie h HIS 170 Cb 1.09 -0.12 -0.01 0.00 -0.00 0.00 0.00 27.41 28.37 1iie h HIS 170 CO 0.05 0.56 0.03 0.45 -0.00 0.00 0.00 177.93 179.02 1iie h HIS 171 N 0.20 0.44 -1.00 5.26 -0.00 0.03 0.27 115.15 120.34 1iie h HIS 171 Ca 0.07 -0.06 0.16 0.00 -0.00 0.00 0.00 60.37 60.54 1iie h HIS 171 Cb 0.37 -0.12 -0.10 0.00 -0.00 0.00 0.00 27.41 27.56 1iie h HIS 171 CO 0.03 0.54 0.61 2.35 -0.00 0.00 0.00 177.93 181.47 1iie h TRP 172 N 0.20 1.09 0.47 2.45 7.01 0.22 -0.10 115.95 127.30 1iie h TRP 172 Ca 0.07 0.03 -0.02 0.00 2.11 0.00 0.00 58.89 61.08 1iie h TRP 172 Cb 0.35 -0.34 0.00 0.00 -2.10 0.00 0.00 29.16 27.08 1iie h TRP 172 CO 0.02 0.31 -0.23 1.25 -2.79 0.00 0.00 178.44 177.01 1iie h LEU 173 N 0.85 -0.54 -0.05 0.65 5.85 0.19 -2.45 115.31 119.81 1iie h LEU 173 Ca 0.55 -0.07 0.02 0.00 0.84 0.00 0.00 57.88 59.21 1iie h LEU 173 Cb 0.74 0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.87 1iie h LEU 173 CO -0.34 -0.14 -0.36 -0.07 -0.34 0.00 0.00 178.44 177.19 1iie h LEU 174 N -1.03 -1.13 -0.30 2.25 3.38 0.05 0.26 115.31 118.78 1iie h LEU 174 Ca -0.07 0.13 0.03 0.00 0.09 0.00 0.00 57.88 58.06 1iie h LEU 174 Cb 0.58 0.43 -0.04 0.00 0.09 0.00 0.00 40.66 41.73 1iie h LEU 174 CO 0.11 -0.33 -0.18 0.33 0.09 0.00 0.00 178.44 178.46 1iie n PHE 175 N -4.46 -0.13 -0.10 1.13 -0.00 -0.10 0.18 117.46 113.98 1iie n PHE 175 Ca -0.04 0.38 0.20 0.00 -0.00 0.00 0.00 57.45 57.98 1iie n PHE 175 Cb 0.26 -0.50 0.63 0.00 -0.00 0.00 0.00 39.48 39.86 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 0.15 0.10 -4.13 5.08 -1.20 0.66 114.58 115.23 1iie h GLU 176 Ca 0.05 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1iie h GLU 176 Cb 0.12 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.34 1iie h GLU 176 CO -0.28 0.10 -0.05 1.98 -1.00 0.00 0.00 179.01 179.76 1iie h MET 177 N 0.16 -0.13 -0.98 2.33 4.05 0.25 -3.11 114.93 117.50 1iie h MET 177 Ca 0.34 0.01 0.16 0.00 -0.28 0.00 0.00 59.70 59.93 1iie h MET 177 Cb 1.10 0.03 -0.10 0.00 -0.80 0.00 0.00 31.60 31.83 1iie h MET 177 CO -0.05 0.17 0.59 0.66 0.23 0.00 0.00 176.91 178.50 1iie h SER 178 N -1.00 0.78 -0.33 1.39 4.64 0.25 0.50 113.55 119.77 1iie h SER 178 Ca -0.01 0.08 -0.18 0.00 -0.47 0.00 0.00 61.79 61.20 1iie h SER 178 Cb 0.35 -0.06 -0.10 0.00 -0.31 0.00 0.00 62.40 62.28 1iie h SER 178 CO 0.02 0.33 0.24 -2.11 -0.87 0.00 0.00 176.83 174.44 1iie n ARG 179 N -4.74 1.45 -0.90 4.77 -4.01 0.23 -4.15 116.66 109.30 1iie n ARG 179 Ca 0.21 -1.02 0.00 0.00 -1.04 0.00 0.00 57.85 56.00 1iie n ARG 179 Cb 0.48 -1.40 0.33 0.00 -3.04 0.00 0.00 32.46 28.83 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 0.10 2.08 0.31 2.89 -0.00 0.16 -4.47 115.22 116.30 1iie n HIS 180 Ca 0.20 -1.04 0.12 0.00 0.46 0.00 0.00 57.72 57.46 1iie n HIS 180 Cb 0.82 -0.58 0.53 0.00 -0.12 0.00 0.00 29.99 30.64 1iie n HIS 180 CO 0.00 0.00 0.00 0.43 0.46 0.00 0.00 176.34 177.23 1iie n SER 181 N -0.02 0.64 -0.13 0.26 7.64 -1.26 -2.96 113.62 117.79 1iie n SER 181 Ca 0.34 0.70 -0.20 0.00 1.01 0.00 0.00 58.87 60.72 1iie n SER 181 Cb 1.25 -0.82 -0.12 0.00 -1.01 0.00 0.00 64.21 63.52 1iie n SER 181 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1iie n LEU 182 N -2.25 2.81 -2.83 -3.43 4.77 -1.26 -4.52 117.00 110.29 1iie n LEU 182 Ca 0.01 -0.05 -0.29 0.00 -0.03 0.00 0.00 56.01 55.65 1iie n LEU 182 Cb 0.16 -0.91 -0.08 0.00 -2.33 0.00 0.00 43.42 40.27 1iie n LEU 182 CO 0.16 0.88 2.68 -0.62 -1.33 0.00 0.00 177.39 179.17 1iie n GLU 183 N -3.42 3.10 -3.76 3.23 -0.58 -1.15 -4.83 120.64 113.23 1iie n GLU 183 Ca -0.47 -1.83 -0.09 0.00 -0.42 0.00 0.00 57.16 54.35 1iie n GLU 183 Cb 0.98 -2.49 -0.03 0.00 -0.57 0.00 0.00 31.44 29.33 1iie n GLU 183 CO 0.00 0.00 0.00 1.14 -0.48 0.00 0.00 177.13 177.79 1iie s GLN 184 N 1.50 1.53 0.27 3.49 -2.07 -1.26 -5.02 119.66 118.11 1iie s GLN 184 Ca 0.68 -0.88 -0.04 0.00 -1.82 0.00 0.00 55.36 53.30 1iie s GLN 184 Cb 0.24 0.56 -0.05 0.00 -1.09 0.00 0.00 33.01 32.67 1iie s GLN 184 CO -0.04 -0.67 0.52 0.15 -1.32 0.00 0.00 175.29 173.92 1iie s LYS 185 N -3.88 3.61 0.11 9.60 1.02 -1.26 -5.05 119.74 123.89 1iie s LYS 185 Ca 0.10 -0.06 -0.30 0.00 0.02 0.00 0.00 55.97 55.73 1iie s LYS 185 Cb -0.03 -2.69 -0.06 0.00 -0.52 0.00 0.00 37.83 34.53 1iie s LYS 185 CO 0.00 0.26 1.16 -1.25 -0.92 0.00 0.00 175.35 174.60 1iie s PRO 186 N -3.48 4.49 0.11 -1.68 0.04 -1.26 -5.04 135.00 128.18 1iie s PRO 186 Ca 0.43 1.76 0.03 0.00 0.04 0.00 0.00 61.00 63.26 1iie s PRO 186 Cb -0.11 -3.31 -0.04 0.00 0.04 0.00 0.00 34.50 31.08 1iie s PRO 186 CO 0.29 -0.13 -0.08 -0.08 0.04 0.00 0.00 177.00 177.05 1iie s THR 187 N 0.50 0.85 -0.28 1.26 -1.32 -1.26 -5.16 115.64 110.23 1iie s THR 187 Ca 0.55 -1.88 -0.26 0.00 -1.21 0.00 0.00 61.69 58.90 1iie s THR 187 Cb -0.30 -1.62 0.16 0.00 -1.51 0.00 0.00 72.50 69.23 1iie s THR 187 CO 0.32 -0.77 1.22 -0.62 -2.21 0.00 0.00 174.62 172.57 1iie s ASP 188 N -2.91 -0.26 -0.27 8.08 -1.08 -1.26 -5.14 116.67 113.84 1iie s ASP 188 Ca 0.11 0.47 -0.03 0.00 -0.52 0.00 0.00 52.55 52.58 1iie s ASP 188 Cb 0.02 0.47 0.10 0.00 -1.46 0.00 0.00 42.92 42.06 1iie s ASP 188 CO -0.02 -0.10 0.17 0.00 0.52 0.00 0.00 175.17 175.73 1iie s ALA 189 N 0.00 0.31 -0.27 3.66 0.00 -1.26 -5.10 121.76 119.09 1iie s ALA 189 Ca 0.05 -0.74 -0.29 0.00 0.00 0.00 0.00 51.96 50.98 1iie s ALA 189 Cb -0.05 -1.43 -0.01 0.00 0.00 0.00 0.00 23.12 21.64 1iie s ALA 189 CO -0.10 -1.57 1.37 -1.25 0.00 0.00 0.00 175.76 174.20 1iie s PRO 190 N 2.18 3.91 0.00 0.00 0.04 -1.26 -5.01 135.00 134.85 1iie s PRO 190 Ca 0.08 1.36 0.00 0.00 0.04 0.00 0.00 61.00 62.48 1iie s PRO 190 Cb -0.16 -3.91 0.00 0.00 0.04 0.00 0.00 34.50 30.48 1iie s PRO 190 CO -0.31 -1.13 0.00 -0.35 0.04 0.00 0.00 177.00 175.25 1iie n PRO 191 N 7.35 -0.09 0.00 0.56 -0.04 -1.26 -5.39 135.00 136.13 1iie n PRO 191 Ca 0.16 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.69 1iie n PRO 191 Cb 0.46 0.00 0.07 0.00 -0.04 0.00 0.00 33.50 33.99 1iie n PRO 191 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09