#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 -2.52 0.00 -1.66 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 -1.51 -0.13 1.20 2.81 -1.26 -4.76 117.12 113.47 1iie n MET 121 Ca 0.00 0.79 -0.25 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 -2.31 1.45 -0.11 2.03 -1.04 -1.26 -4.00 114.28 109.04 1iie n THR 122 Ca -0.15 -0.42 0.16 0.00 -2.04 0.00 0.00 64.05 61.60 1iie n THR 122 Cb 0.50 -1.72 0.56 0.00 -1.82 0.00 0.00 70.33 67.85 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 -0.67 0.29 0.00 -2.82 5.08 -1.96 1.98 114.58 116.47 1iie h GLU 123 Ca -0.64 -0.02 -0.10 0.00 -1.00 0.00 0.00 59.36 57.60 1iie h GLU 123 Cb 1.67 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.84 1iie h GLU 123 CO -0.31 0.19 -0.48 -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 0.33 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.33 1iie h ASP 124 Cb 0.87 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.41 1iie h ASP 124 CO -0.08 0.48 -1.13 1.57 -1.72 0.00 0.00 179.24 178.36 1iie n HIS 125 N -3.37 0.98 0.00 4.55 -0.00 0.22 -2.53 115.22 115.06 1iie n HIS 125 Ca 0.01 0.30 -0.15 0.00 0.46 0.00 0.00 57.72 58.33 1iie n HIS 125 Cb 0.64 -1.00 -0.14 0.00 -0.12 0.00 0.00 29.99 29.38 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 -0.47 3.57 2.07 0.29 -2.73 116.25 119.77 1iie h VAL 126 Ca -0.05 -2.56 -0.08 0.00 0.82 0.00 0.00 66.70 64.83 1iie h VAL 126 Cb 1.17 2.50 -0.02 0.00 -1.52 0.00 0.00 31.29 33.42 1iie h VAL 126 CO 0.01 0.71 -0.03 -0.03 0.02 0.00 0.00 177.57 178.25 1iie h MET 127 N 0.04 0.80 -0.17 1.57 -1.53 0.60 -1.25 114.93 114.98 1iie h MET 127 Ca -0.34 -0.23 -0.19 0.00 -3.44 0.00 0.00 59.70 55.50 1iie h MET 127 Cb 2.02 -0.09 0.00 0.00 -0.55 0.00 0.00 31.60 32.99 1iie h MET 127 CO 0.09 0.83 -0.67 1.25 0.14 0.00 0.00 176.91 178.55 1iie h HIS 128 N 0.74 0.86 0.00 1.39 6.17 -1.59 0.38 115.15 123.11 1iie h HIS 128 Ca 0.14 -0.35 -0.00 0.00 0.71 0.00 0.00 60.37 60.87 1iie h HIS 128 Cb 0.49 -0.15 -0.00 0.00 2.52 0.00 0.00 27.41 30.28 1iie h HIS 128 CO 0.03 1.14 -0.02 -0.07 0.71 0.00 0.00 177.93 179.71 1iie h LEU 129 N 0.47 0.00 0.00 0.26 -0.00 -1.09 -1.28 115.31 113.67 1iie h LEU 129 Ca -0.02 0.00 -0.11 0.00 -0.00 0.00 0.00 57.88 57.75 1iie h LEU 129 Cb 1.26 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.90 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 -3.26 0.06 -0.02 1.67 4.77 -0.52 -3.64 117.00 116.05 1iie n LEU 130 Ca -0.02 0.02 0.15 0.00 -0.03 0.00 0.00 56.01 56.13 1iie n LEU 130 Cb 0.15 0.15 0.71 0.00 -2.33 0.00 0.00 43.42 42.09 1iie n LEU 130 CO 0.24 0.14 0.98 0.00 -1.33 0.00 0.00 177.39 177.42 1iie n GLN 131 N -2.44 0.44 -0.04 3.23 6.02 0.13 -2.64 117.38 122.08 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 0.75 -1.50 -0.09 0.00 1.02 0.00 0.00 30.24 30.42 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 2.32 0.09 1.08 4.05 -0.76 -4.47 115.26 116.32 1iie n ASN 132 Ca 0.14 0.00 -0.04 0.00 0.45 0.00 0.00 54.58 55.12 1iie n ASN 132 Cb 0.26 0.94 -0.01 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 0.66 0.58 -3.37 5.20 0.00 -1.62 -3.43 119.26 117.27 1iie h ALA 133 Ca -0.23 -0.76 -0.39 0.00 0.00 0.00 0.00 54.91 53.53 1iie h ALA 133 Cb 1.42 -0.13 -0.36 0.00 0.00 0.00 0.00 17.79 18.71 1iie h ALA 133 CO 0.01 1.05 -0.76 -0.51 0.00 0.00 0.00 179.25 179.05 1iie s ASP 134 N -6.73 1.05 0.00 0.00 1.01 -1.08 -4.99 116.67 105.92 1iie s ASP 134 Ca 0.00 -0.04 0.25 0.00 0.71 0.00 0.00 52.55 53.47 1iie s ASP 134 Cb 0.11 -0.32 1.47 0.00 1.01 0.00 0.00 42.92 45.19 1iie s ASP 134 CO 0.79 -0.15 1.86 -0.81 0.21 0.00 0.00 175.17 177.07 1iie n PRO 135 N 4.69 0.74 -0.41 8.23 -0.04 -1.26 -3.08 135.00 143.86 1iie n PRO 135 Ca -0.15 0.01 0.07 0.00 -0.04 0.00 0.00 63.50 63.38 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 -1.03 2.71 -4.75 1.53 7.99 -1.26 -5.01 117.00 117.18 1iie n LEU 136 Ca 0.18 -3.57 -0.35 0.00 -0.01 0.00 0.00 56.01 52.25 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 1.12 -0.17 -0.54 -1.51 0.00 0.00 177.39 176.44 1iie s LYS 137 N -3.10 4.10 0.05 3.23 -0.14 -1.18 -5.08 119.74 117.62 1iie s LYS 137 Ca 0.36 -0.18 0.01 0.00 -1.36 0.00 0.00 55.97 54.80 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 -4.85 120.40 118.60 1iie s VAL 138 Ca 0.10 -1.41 0.03 0.00 0.00 0.00 0.00 61.98 60.70 1iie s VAL 138 Cb -0.11 -0.99 0.16 0.00 0.00 0.00 0.00 36.38 35.44 1iie s VAL 138 CO -0.01 -0.66 0.34 -0.31 0.00 0.00 0.00 175.10 174.46 1iie s TYR 139 N -2.49 1.60 0.60 5.22 1.51 -1.26 -5.10 117.35 117.43 1iie s TYR 139 Ca -0.02 -2.43 -0.19 0.00 -1.01 0.00 0.00 57.07 53.42 1iie s TYR 139 Cb -0.02 -1.36 -0.04 0.00 -0.11 0.00 0.00 41.96 40.43 1iie s TYR 139 CO -0.03 -0.77 1.15 -0.35 -1.11 0.00 0.00 175.55 174.44 1iie n PRO 140 N 2.93 1.16 -1.79 -1.71 -0.04 -1.26 -4.81 135.00 129.48 1iie n PRO 140 Ca 0.23 0.44 -0.39 0.00 -0.04 0.00 0.00 63.50 63.74 1iie n PRO 140 Cb 0.42 -2.36 -0.03 0.00 -0.04 0.00 0.00 33.50 31.49 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 2.65 -1.24 0.54 0.04 -1.26 -4.87 135.00 127.93 1iie s PRO 141 Ca 0.77 1.29 -0.11 0.00 0.04 0.00 0.00 61.00 62.98 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 -2.66 1.65 1.28 0.04 0.00 0.00 177.00 177.77 1iie n LEU 142 N 13.24 5.99 0.05 -3.56 4.77 -1.26 -4.67 117.00 131.56 1iie n LEU 142 Ca 0.28 -4.60 0.12 0.00 -0.03 0.00 0.00 56.01 51.78 1iie n LEU 142 Cb 0.51 -1.53 0.14 0.00 -2.33 0.00 0.00 43.42 40.21 1iie n LEU 142 CO 0.70 1.11 0.27 0.29 -1.33 0.00 0.00 177.39 178.42 1iie n LYS 143 N 4.51 0.29 0.00 3.23 5.02 -1.26 -4.49 118.16 125.46 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 -1.67 0.00 0.00 -0.02 0.00 0.00 35.03 33.73 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 1.34 -3.20 3.56 0.72 0.00 -1.26 -4.94 105.19 101.41 1iie n GLY 144 Ca 0.03 0.37 -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 -4.94 113.70 106.61 1iie s SER 145 Ca 0.00 0.15 0.04 0.00 1.31 0.00 0.00 55.95 57.45 1iie s SER 145 Cb 0.00 0.29 0.70 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 0.93 0.00 2.43 3.57 -1.92 3.04 116.94 127.19 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 1.19 -0.27 0.00 0.00 2.79 0.00 0.00 35.95 39.67 1iie h PHE 146 CO 0.27 0.17 0.00 -1.00 -2.23 0.00 0.00 178.31 175.52 1iie h PRO 147 N 0.66 0.00 0.13 6.41 0.13 -1.98 0.23 132.00 137.58 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 0.89 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.00 1iie h PRO 147 CO -0.41 0.00 -1.89 0.93 -0.23 0.00 0.00 178.00 176.40 1iie h GLU 148 N 0.00 0.27 -0.25 0.86 4.39 -0.45 -2.62 114.58 116.78 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 29.55 1iie h GLU 148 CO 0.00 1.22 -0.03 -0.91 -1.16 0.00 0.00 179.01 178.13 1iie h ASN 149 N -0.01 0.34 0.08 1.42 2.35 0.53 1.34 115.58 121.64 1iie h ASN 149 Ca -0.40 -0.06 -0.15 0.00 -0.55 0.00 0.00 56.30 55.14 1iie h ASN 149 Cb 1.99 -0.09 0.02 0.00 0.05 0.00 0.00 38.32 40.28 1iie h ASN 149 CO 0.08 0.43 -0.63 -0.07 -1.65 0.00 0.00 177.43 175.59 1iie h LEU 150 N 0.36 0.41 -1.26 1.61 3.38 -0.64 -1.52 115.31 117.65 1iie h LEU 150 Ca 0.08 -0.90 -0.05 0.00 0.09 0.00 0.00 57.88 57.10 1iie h LEU 150 Cb 0.29 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 1iie h LEU 150 CO 0.01 1.28 -0.23 0.03 0.09 0.00 0.00 178.44 179.62 1iie h ARG 151 N -0.40 0.00 0.10 1.13 2.47 -1.18 0.38 114.38 116.88 1iie h ARG 151 Ca -0.10 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.61 1iie h ARG 151 Cb 1.45 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.77 1iie h ARG 151 CO 0.12 0.23 -0.05 1.25 0.56 0.00 0.00 179.97 182.08 1iie h HIS 152 N 0.00 -0.12 -0.86 3.04 2.76 0.18 1.23 115.15 121.37 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 0.68 0.04 -0.07 0.00 1.55 0.00 0.00 27.41 29.62 1iie h HIS 152 CO 0.00 0.40 0.56 -0.07 -1.30 0.00 0.00 177.93 177.52 1iie h LEU 153 N -0.83 0.62 0.18 0.26 3.38 -1.10 1.97 115.31 119.79 1iie h LEU 153 Ca -0.01 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 1iie h LEU 153 Cb 0.58 -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 0.66 -0.24 0.00 1.13 3.11 -0.79 1.20 116.57 121.64 1iie h LYS 154 Ca 0.43 0.02 0.00 0.00 -2.81 0.00 0.00 60.65 58.29 1iie h LYS 154 Cb 0.71 0.05 0.00 0.00 -1.00 0.00 0.00 32.23 31.99 1iie h LYS 154 CO -0.19 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 54.88 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 0.66 -5.01 114.28 111.40 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 -3.70 -1.93 -2.82 0.00 0.41 -4.83 117.12 100.88 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 0.50 3.17 8.01 -1.26 -4.77 118.70 124.04 1iie s GLU 158 Ca 0.62 2.35 0.31 0.00 0.01 0.00 0.00 54.97 58.26 1iie s GLU 158 Cb -0.14 -3.32 1.42 0.00 -4.31 0.00 0.00 34.13 27.78 1iie s GLU 158 CO 0.56 -0.65 1.78 1.15 0.01 0.00 0.00 175.26 178.11 1iie h THR 159 N 4.31 0.42 0.00 3.63 2.02 -1.88 1.76 112.91 123.17 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 0.30 -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 1.33 0.00 3.11 2.10 -1.96 1.00 117.51 123.21 1iie h ILE 160 Ca 0.59 -2.94 -0.18 0.00 1.08 0.00 0.00 64.86 63.41 1iie h ILE 160 Cb 2.08 2.64 -0.02 0.00 -1.09 0.00 0.00 36.82 40.43 1iie h ILE 160 CO -0.11 0.76 -0.83 0.44 -1.08 0.00 0.00 178.15 177.33 1iie h ASP 161 N 0.00 0.07 0.16 2.19 5.19 0.12 -0.67 116.42 123.49 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 1.68 -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 0.65 -0.16 4.55 2.91 0.23 0.88 115.95 125.04 1iie h TRP 162 Ca -0.02 -0.28 0.02 0.00 1.13 0.00 0.00 58.89 59.74 1iie h TRP 162 Cb 1.46 -0.10 -0.02 0.00 -0.51 0.00 0.00 29.16 29.98 1iie h TRP 162 CO 0.01 1.05 0.04 0.87 -1.03 0.00 0.00 178.44 179.38 1iie h LYS 163 N 0.34 0.11 -0.33 2.65 1.79 0.15 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 31.91 1iie h LYS 163 CO 0.13 0.08 -0.25 0.28 -1.08 0.00 0.00 179.45 178.60 1iie h VAL 164 N 0.12 1.27 -0.36 0.50 2.07 -0.95 -0.04 116.25 118.86 1iie h VAL 164 Ca 0.07 -1.34 -0.10 0.00 0.82 0.00 0.00 66.70 66.14 1iie h VAL 164 Cb 0.05 1.30 -0.01 0.00 -1.52 0.00 0.00 31.29 31.11 1iie h VAL 164 CO -0.08 0.44 -0.18 0.15 0.02 0.00 0.00 177.57 177.91 1iie h PHE 165 N 0.57 0.87 -0.32 1.57 3.57 0.19 0.48 116.94 123.87 1iie h PHE 165 Ca 0.08 -0.22 -0.01 0.00 3.53 0.00 0.00 57.97 61.35 1iie h PHE 165 Cb 0.73 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 39.26 1iie h PHE 165 CO 0.03 0.95 0.17 0.93 -2.23 0.00 0.00 178.31 178.16 1iie h GLU 166 N 0.54 0.45 -0.28 1.11 4.39 0.12 0.76 114.58 121.67 1iie h GLU 166 Ca 0.08 -0.05 -0.01 0.00 0.34 0.00 0.00 59.36 59.71 1iie h GLU 166 Cb 0.73 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 29.28 1iie h GLU 166 CO 0.05 0.38 0.11 0.77 -1.16 0.00 0.00 179.01 179.17 1iie h SER 167 N 0.39 0.34 -0.43 1.42 0.02 -0.78 0.84 113.55 115.36 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 0.07 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 62.51 1iie h SER 167 CO -0.02 0.32 -0.25 -0.25 -1.14 0.00 0.00 176.83 175.49 1iie h TRP 168 N 0.39 1.10 -0.20 3.45 7.01 0.20 0.46 115.95 128.36 1iie h TRP 168 Ca 0.10 -0.28 -0.16 0.00 2.11 0.00 0.00 58.89 60.66 1iie h TRP 168 Cb 0.09 -0.25 -0.01 0.00 -2.10 0.00 0.00 29.16 26.89 1iie h TRP 168 CO 0.00 1.09 -0.55 0.52 -2.79 0.00 0.00 178.44 176.71 1iie h MET 169 N 0.81 0.60 -0.24 2.65 2.86 0.21 0.47 114.93 122.29 1iie h MET 169 Ca 0.10 -0.38 -0.04 0.00 -2.06 0.00 0.00 59.70 57.32 1iie h MET 169 Cb 0.83 0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.52 1iie h MET 169 CO 0.07 0.99 0.01 1.25 1.06 0.00 0.00 176.91 180.30 1iie h HIS 170 N 0.46 0.45 -0.27 -0.22 -0.00 0.98 0.88 115.15 117.43 1iie h HIS 170 Ca 0.01 -0.08 -0.04 0.00 -0.00 0.00 0.00 60.37 60.27 1iie h HIS 170 Cb 1.10 -0.12 -0.01 0.00 -0.00 0.00 0.00 27.41 28.38 1iie h HIS 170 CO 0.05 0.58 0.02 0.45 -0.00 0.00 0.00 177.93 179.03 1iie h HIS 171 N 0.20 0.50 -0.99 5.26 -0.00 0.04 0.28 115.15 120.43 1iie h HIS 171 Ca 0.07 -0.08 0.15 0.00 -0.00 0.00 0.00 60.37 60.51 1iie h HIS 171 Cb 0.39 -0.13 -0.09 0.00 -0.00 0.00 0.00 27.41 27.57 1iie h HIS 171 CO 0.03 0.59 0.61 2.35 -0.00 0.00 0.00 177.93 181.51 1iie h TRP 172 N 0.26 1.09 0.49 2.45 7.01 0.19 -0.14 115.95 127.31 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 0.37 -0.34 0.00 0.00 -2.10 0.00 0.00 29.16 27.10 1iie h TRP 172 CO 0.03 0.34 -0.24 1.25 -2.79 0.00 0.00 178.44 177.03 1iie h LEU 173 N 0.87 -0.56 -0.07 0.65 5.85 0.20 -2.45 115.31 119.80 1iie h LEU 173 Ca 0.53 -0.06 0.02 0.00 0.84 0.00 0.00 57.88 59.21 1iie h LEU 173 Cb 0.67 0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.81 1iie h LEU 173 CO -0.32 -0.17 -0.35 -0.07 -0.34 0.00 0.00 178.44 177.19 1iie h LEU 174 N -1.05 -1.12 -0.28 2.25 3.38 0.01 0.29 115.31 118.80 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 0.59 0.43 -0.03 0.00 0.09 0.00 0.00 40.66 41.74 1iie h LEU 174 CO 0.11 -0.32 -0.17 0.33 0.09 0.00 0.00 178.44 178.48 1iie n PHE 175 N -4.43 -0.12 -0.11 1.13 -0.00 -0.11 0.18 117.46 113.99 1iie n PHE 175 Ca -0.04 0.35 0.20 0.00 -0.00 0.00 0.00 57.45 57.96 1iie n PHE 175 Cb 0.25 -0.50 0.62 0.00 -0.00 0.00 0.00 39.48 39.85 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 0.16 0.10 -4.13 5.08 -1.20 0.67 114.58 115.26 1iie h GLU 176 Ca 0.04 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1iie h GLU 176 Cb 0.12 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.33 1iie h GLU 176 CO -0.26 0.11 -0.05 1.98 -1.00 0.00 0.00 179.01 179.79 1iie h MET 177 N 0.17 -0.13 -0.96 2.33 4.05 0.25 -3.12 114.93 117.52 1iie h MET 177 Ca 0.35 0.01 0.16 0.00 -0.28 0.00 0.00 59.70 59.94 1iie h MET 177 Cb 1.13 0.03 -0.10 0.00 -0.80 0.00 0.00 31.60 31.86 1iie h MET 177 CO -0.06 0.17 0.57 0.66 0.23 0.00 0.00 176.91 178.48 1iie h SER 178 N -1.00 0.76 -0.32 1.39 4.64 0.25 0.47 113.55 119.74 1iie h SER 178 Ca -0.01 0.08 -0.18 0.00 -0.47 0.00 0.00 61.79 61.21 1iie h SER 178 Cb 0.35 -0.05 -0.10 0.00 -0.31 0.00 0.00 62.40 62.29 1iie h SER 178 CO 0.02 0.32 0.23 -2.11 -0.87 0.00 0.00 176.83 174.42 1iie n ARG 179 N -4.76 1.43 -0.89 4.77 -4.01 0.23 -4.14 116.66 109.29 1iie n ARG 179 Ca 0.20 -0.98 0.00 0.00 -1.04 0.00 0.00 57.85 56.04 1iie n ARG 179 Cb 0.48 -1.38 0.33 0.00 -3.04 0.00 0.00 32.46 28.84 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 0.15 2.06 0.32 2.89 -0.00 0.15 -4.48 115.22 116.31 1iie n HIS 180 Ca 0.19 -1.04 0.12 0.00 0.46 0.00 0.00 57.72 57.45 1iie n HIS 180 Cb 0.80 -0.57 0.52 0.00 -0.12 0.00 0.00 29.99 30.62 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 -0.03 0.64 -0.12 0.26 7.64 -1.26 -2.97 113.62 117.77 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 63.51 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 2.78 -2.81 -3.43 4.77 -1.26 -4.52 117.00 110.29 1iie n LEU 182 Ca 0.01 -0.04 -0.29 0.00 -0.03 0.00 0.00 56.01 55.66 1iie n LEU 182 Cb 0.16 -0.91 -0.08 0.00 -2.33 0.00 0.00 43.42 40.26 1iie n LEU 182 CO 0.16 0.87 2.67 -0.62 -1.33 0.00 0.00 177.39 179.15 1iie n GLU 183 N -3.45 3.07 -3.76 3.23 -0.58 -1.16 -4.83 120.64 113.17 1iie n GLU 183 Ca -0.47 -1.79 -0.09 0.00 -0.42 0.00 0.00 57.16 54.39 1iie n GLU 183 Cb 0.97 -2.48 -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 1.54 1.53 0.27 3.49 -2.07 -1.26 -5.02 119.66 118.14 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 0.00 175.29 173.93 1iie s LYS 185 N -3.88 3.61 0.12 9.60 1.02 -1.26 -5.05 119.74 123.90 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 -0.07 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 -3.47 4.50 0.10 -1.68 0.04 -1.26 -5.04 135.00 128.19 1iie s PRO 186 Ca 0.43 1.77 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 31.09 1iie s PRO 186 CO 0.29 -0.11 -0.08 -0.08 0.04 0.00 0.00 177.00 177.06 1iie s THR 187 N 0.42 0.80 -0.28 1.26 -1.32 -1.26 -5.16 115.64 110.11 1iie s THR 187 Ca 0.54 -1.85 -0.26 0.00 -1.21 0.00 0.00 61.69 58.92 1iie s THR 187 Cb -0.30 -1.58 0.15 0.00 -1.51 0.00 0.00 72.50 69.26 1iie s THR 187 CO 0.32 -0.77 1.22 -0.62 -2.21 0.00 0.00 174.62 172.56 1iie s ASP 188 N -2.87 -0.26 -0.27 8.08 -1.08 -1.26 -5.14 116.67 113.87 1iie s ASP 188 Ca 0.10 0.48 -0.03 0.00 -0.52 0.00 0.00 52.55 52.58 1iie s ASP 188 Cb 0.02 0.48 0.10 0.00 -1.46 0.00 0.00 42.92 42.07 1iie s ASP 188 CO -0.03 -0.10 0.16 0.00 0.52 0.00 0.00 175.17 175.72 1iie s ALA 189 N -0.00 0.32 -0.28 3.66 0.00 -1.26 -5.10 121.76 119.10 1iie s ALA 189 Ca 0.05 -0.75 -0.29 0.00 0.00 0.00 0.00 51.96 50.97 1iie s ALA 189 Cb -0.05 -1.42 -0.01 0.00 0.00 0.00 0.00 23.12 21.65 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 2.17 3.91 0.00 0.00 0.04 -1.26 -5.01 135.00 134.84 1iie s PRO 190 Ca 0.08 1.35 0.00 0.00 0.04 0.00 0.00 61.00 62.47 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 -1.14 0.00 -0.35 0.04 0.00 0.00 177.00 175.24 1iie n PRO 191 N 7.35 -0.07 0.00 0.56 -0.04 -1.26 -5.39 135.00 136.15 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