#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 1.76 0.00 2.98 0.00 -1.26 -4.72 105.19 103.95 1iie n GLY 119 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.22 0.35 -1.14 1.61 5.15 -1.26 -4.99 115.26 113.76 1iie n ASN 120 Ca -0.19 -1.08 -0.14 0.00 -0.60 0.00 0.00 54.58 52.57 1iie n ASN 120 Cb 0.63 0.00 -0.06 0.00 -0.53 0.00 0.00 39.78 39.82 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 -0.04 -1.56 -0.10 1.20 2.81 -1.26 -4.80 117.12 113.37 1iie n MET 121 Ca 0.00 0.94 -0.17 0.00 -1.81 0.00 0.00 57.70 56.66 1iie n MET 121 Cb 0.26 -5.27 -0.06 0.00 -0.71 0.00 0.00 33.22 27.44 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 -2.12 1.40 -0.27 2.03 -1.04 -1.26 -3.82 114.28 109.20 1iie n THR 122 Ca -0.14 -0.09 0.17 0.00 -2.04 0.00 0.00 64.05 61.95 1iie n THR 122 Cb 0.57 -2.04 0.45 0.00 -1.82 0.00 0.00 70.33 67.49 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 -0.87 0.51 0.00 -2.82 5.08 -1.95 2.32 114.58 116.86 1iie h GLU 123 Ca -0.31 -0.03 -0.09 0.00 -1.00 0.00 0.00 59.36 57.93 1iie h GLU 123 Cb 1.21 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.33 1iie h GLU 123 CO -0.19 0.34 -0.42 -0.44 -1.00 0.00 0.00 179.01 177.30 1iie h ASP 124 N 0.53 0.00 1.01 1.42 5.19 -1.96 0.95 116.42 123.55 1iie h ASP 124 Ca 0.48 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.88 1iie h ASP 124 Cb 1.03 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.54 1iie h ASP 124 CO -0.22 0.42 -1.00 -0.74 -3.12 0.00 0.00 179.24 174.58 1iie h HIS 125 N 0.00 0.00 0.06 4.55 2.76 0.78 -2.73 115.15 120.57 1iie h HIS 125 Ca -0.00 0.00 -0.34 0.00 -2.20 0.00 0.00 60.37 57.83 1iie h HIS 125 Cb 1.06 0.00 -0.04 0.00 1.55 0.00 0.00 27.41 29.99 1iie h HIS 125 CO 0.00 0.04 -1.94 0.28 -1.30 0.00 0.00 177.93 175.02 1iie n VAL 126 N -2.71 1.68 -0.25 5.26 0.31 0.70 -2.47 118.33 120.84 1iie n VAL 126 Ca -0.01 -0.72 -0.07 0.00 -0.01 0.00 0.00 64.34 63.53 1iie n VAL 126 Cb 0.57 -1.37 0.05 0.00 -0.91 0.00 0.00 33.84 32.18 1iie n VAL 126 CO 0.00 0.00 0.00 -0.03 -1.32 0.00 0.00 176.83 175.48 1iie h MET 127 N 0.04 1.12 -0.31 5.55 -1.53 0.84 -1.42 114.93 119.21 1iie h MET 127 Ca -0.39 -0.26 -0.16 0.00 -3.44 0.00 0.00 59.70 55.45 1iie h MET 127 Cb 2.03 -0.15 -0.01 0.00 -0.55 0.00 0.00 31.60 32.92 1iie h MET 127 CO 0.07 0.98 -0.44 1.25 0.14 0.00 0.00 176.91 178.91 1iie h HIS 128 N 1.06 0.96 0.00 1.39 6.17 -1.59 0.43 115.15 123.57 1iie h HIS 128 Ca 0.22 -0.30 0.00 0.00 0.71 0.00 0.00 60.37 61.00 1iie h HIS 128 Cb 0.35 -0.20 0.00 0.00 2.52 0.00 0.00 27.41 30.08 1iie h HIS 128 CO 0.03 1.09 0.00 -0.07 0.71 0.00 0.00 177.93 179.68 1iie h LEU 129 N 0.64 0.00 0.00 0.26 -0.00 -1.09 -1.41 115.31 113.71 1iie h LEU 129 Ca 0.04 0.00 -0.09 0.00 -0.00 0.00 0.00 57.88 57.84 1iie h LEU 129 Cb 1.01 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.65 1iie h LEU 129 CO 0.10 0.00 -1.90 0.18 -0.00 0.00 0.00 178.44 176.82 1iie n LEU 130 N -2.79 0.00 0.00 1.67 4.77 -0.59 -3.92 117.00 116.14 1iie n LEU 130 Ca -0.02 0.00 0.13 0.00 -0.03 0.00 0.00 56.01 56.09 1iie n LEU 130 Cb 0.11 0.12 0.63 0.00 -2.33 0.00 0.00 43.42 41.94 1iie n LEU 130 CO 0.18 0.12 0.94 0.00 -1.33 0.00 0.00 177.39 177.30 1iie n GLN 131 N -2.26 0.21 -0.06 3.23 6.02 0.15 -2.29 117.38 122.37 1iie n GLN 131 Ca -0.10 0.04 -0.06 0.00 -0.01 0.00 0.00 57.00 56.87 1iie n GLN 131 Cb 0.63 -1.50 -0.11 0.00 1.02 0.00 0.00 30.24 30.28 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 -1.38 1.66 0.11 1.08 4.13 -0.95 -4.43 115.26 115.48 1iie n ASN 132 Ca 0.10 0.00 -0.02 0.00 1.68 0.00 0.00 54.58 56.34 1iie n ASN 132 Cb 0.26 0.87 0.03 0.00 -1.54 0.00 0.00 39.78 39.40 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 0.70 0.63 -3.43 5.41 0.00 -1.67 -3.43 119.26 117.46 1iie h ALA 133 Ca -0.35 -0.67 -0.44 0.00 0.00 0.00 0.00 54.91 53.45 1iie h ALA 133 Cb 1.79 -0.12 -0.34 0.00 0.00 0.00 0.00 17.79 19.12 1iie h ALA 133 CO 0.02 0.92 -0.78 -0.51 0.00 0.00 0.00 179.25 178.89 1iie s ASP 134 N -6.65 1.21 0.00 0.00 1.01 -0.97 -5.00 116.67 106.27 1iie s ASP 134 Ca 0.01 -0.17 0.22 0.00 0.71 0.00 0.00 52.55 53.32 1iie s ASP 134 Cb 0.10 -0.55 1.29 0.00 1.01 0.00 0.00 42.92 44.78 1iie s ASP 134 CO 0.77 -0.04 1.76 -0.81 0.21 0.00 0.00 175.17 177.06 1iie n PRO 135 N 4.09 0.88 -1.85 8.23 -0.04 -1.26 -3.50 135.00 141.55 1iie n PRO 135 Ca -0.23 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.21 1iie n PRO 135 Cb 0.51 -1.38 0.06 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 -0.88 2.16 -4.56 1.53 4.77 -1.26 -5.05 117.00 113.70 1iie n LEU 136 Ca 0.16 -3.13 -0.37 0.00 -0.03 0.00 0.00 56.01 52.64 1iie n LEU 136 Cb 0.07 -0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.05 1iie n LEU 136 CO 0.12 1.10 -0.22 -0.54 -1.33 0.00 0.00 177.39 176.53 1iie s LYS 137 N -2.40 3.88 0.16 3.23 -0.14 -1.23 -5.08 119.74 118.16 1iie s LYS 137 Ca 0.35 -0.37 0.07 0.00 -1.36 0.00 0.00 55.97 54.66 1iie s LYS 137 Cb 0.37 -3.46 -0.04 0.00 -1.68 0.00 0.00 37.83 33.01 1iie s LYS 137 CO -0.08 -0.08 -0.14 0.08 -0.76 0.00 0.00 175.35 174.37 1iie s VAL 138 N 1.39 1.54 -0.41 3.17 1.01 -1.26 -4.79 120.40 121.05 1iie s VAL 138 Ca 0.06 -1.97 0.02 0.00 0.00 0.00 0.00 61.98 60.10 1iie s VAL 138 Cb -0.15 -1.81 0.16 0.00 0.00 0.00 0.00 36.38 34.58 1iie s VAL 138 CO 0.06 -0.50 0.29 -0.31 0.00 0.00 0.00 175.10 174.64 1iie s TYR 139 N -2.56 1.21 0.60 5.22 1.51 -1.26 -5.10 117.35 116.97 1iie s TYR 139 Ca 0.16 -2.16 -0.19 0.00 -1.01 0.00 0.00 57.07 53.87 1iie s TYR 139 Cb -0.03 -1.13 -0.04 0.00 -0.11 0.00 0.00 41.96 40.65 1iie s TYR 139 CO 0.05 -0.81 1.05 -0.35 -1.11 0.00 0.00 175.55 174.38 1iie n PRO 140 N 3.27 1.01 -1.88 -1.71 -0.04 -1.26 -4.80 135.00 129.59 1iie n PRO 140 Ca 0.21 0.39 -0.34 0.00 -0.04 0.00 0.00 63.50 63.72 1iie n PRO 140 Cb 0.42 -2.25 -0.04 0.00 -0.04 0.00 0.00 33.50 31.59 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 -2.83 2.39 -1.39 0.54 0.04 -1.26 -4.83 135.00 127.66 1iie s PRO 141 Ca 0.76 0.64 -0.13 0.00 0.04 0.00 0.00 61.00 62.31 1iie s PRO 141 Cb -0.42 -4.58 -0.03 0.00 0.04 0.00 0.00 34.50 29.51 1iie s PRO 141 CO 0.47 -3.13 2.41 1.28 0.04 0.00 0.00 177.00 178.07 1iie n LEU 142 N 14.26 7.00 0.24 -3.56 4.77 -1.26 -4.56 117.00 133.89 1iie n LEU 142 Ca 0.30 -3.98 0.15 0.00 -0.03 0.00 0.00 56.01 52.45 1iie n LEU 142 Cb 0.51 -1.53 0.47 0.00 -2.33 0.00 0.00 43.42 40.55 1iie n LEU 142 CO 0.68 1.20 0.92 0.11 -1.33 0.00 0.00 177.39 178.97 1iie h LYS 143 N 5.93 0.00 0.00 3.23 1.79 -1.98 -3.44 116.57 122.10 1iie h LYS 143 Ca 0.64 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 59.11 1iie h LYS 143 Cb 0.50 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.15 1iie h LYS 143 CO 1.84 0.00 0.00 0.41 -1.08 0.00 0.00 179.45 180.62 1iie n GLY 144 N 0.48 -2.99 3.94 3.86 0.00 -1.26 -4.97 105.19 104.24 1iie n GLY 144 Ca 0.02 -1.07 -0.25 0.00 0.00 0.00 0.00 46.02 44.72 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 -1.95 5.64 0.30 1.61 0.01 -1.26 -4.69 113.70 113.35 1iie s SER 145 Ca 0.00 0.48 0.04 0.00 1.31 0.00 0.00 55.95 57.78 1iie s SER 145 Cb 0.00 -1.55 0.66 0.00 0.21 0.00 0.00 66.02 65.34 1iie s SER 145 CO 0.00 -0.94 1.81 0.15 0.41 0.00 0.00 173.24 174.67 1iie h PHE 146 N 0.06 1.10 0.00 2.43 3.57 -1.93 2.05 116.94 124.22 1iie h PHE 146 Ca -0.45 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.03 1iie h PHE 146 Cb 1.26 -0.34 -0.01 0.00 2.79 0.00 0.00 35.95 39.65 1iie h PHE 146 CO 0.45 0.34 -0.22 -1.00 -2.23 0.00 0.00 178.31 175.65 1iie h PRO 147 N 0.87 0.00 0.16 6.41 0.13 -1.98 0.18 132.00 137.77 1iie h PRO 147 Ca 0.54 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 65.43 1iie h PRO 147 Cb 0.70 0.00 0.02 0.00 0.13 0.00 0.00 31.00 31.85 1iie h PRO 147 CO -0.32 0.22 -1.10 0.93 -0.23 0.00 0.00 178.00 177.50 1iie h GLU 148 N 0.00 0.34 -0.39 0.86 4.39 -0.82 0.27 114.58 119.24 1iie h GLU 148 Ca -0.00 -0.58 0.07 0.00 0.34 0.00 0.00 59.36 59.18 1iie h GLU 148 Cb 0.85 0.22 -0.02 0.00 -0.10 0.00 0.00 28.75 29.70 1iie h GLU 148 CO 0.03 1.28 0.27 -0.91 -1.16 0.00 0.00 179.01 178.51 1iie h ASN 149 N -0.24 0.20 0.00 1.42 -0.26 0.34 1.27 115.58 118.31 1iie h ASN 149 Ca -0.21 0.00 -0.12 0.00 -0.56 0.00 0.00 56.30 55.42 1iie h ASN 149 Cb 1.79 -0.04 -0.02 0.00 -1.06 0.00 0.00 38.32 38.99 1iie h ASN 149 CO 0.16 0.13 -0.64 -0.07 -1.06 0.00 0.00 177.43 175.95 1iie h LEU 150 N 0.22 0.00 -1.93 1.61 3.38 -0.58 -2.68 115.31 115.34 1iie h LEU 150 Ca 0.18 -0.73 -0.02 0.00 0.09 0.00 0.00 57.88 57.39 1iie h LEU 150 Cb 0.41 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.16 1iie h LEU 150 CO -0.03 1.24 -0.12 0.03 0.09 0.00 0.00 178.44 179.65 1iie h ARG 151 N -1.00 0.00 0.10 1.13 2.47 -0.64 0.18 114.38 116.62 1iie h ARG 151 Ca -0.17 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.54 1iie h ARG 151 Cb 1.13 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.45 1iie h ARG 151 CO -0.11 0.12 -0.05 1.25 0.56 0.00 0.00 179.97 181.74 1iie h HIS 152 N 0.00 -0.12 -0.88 3.04 2.76 0.15 1.27 115.15 121.37 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 0.31 0.04 -0.07 0.00 1.55 0.00 0.00 27.41 29.24 1iie h HIS 152 CO 0.00 0.39 0.57 -0.07 -1.30 0.00 0.00 177.93 177.52 1iie h LEU 153 N -0.78 0.71 0.12 0.26 3.38 -1.06 1.78 115.31 119.73 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 0.39 -0.06 0.50 0.09 0.00 0.00 178.44 179.38 1iie h LYS 154 N 0.77 -0.16 0.00 1.13 3.11 -0.52 1.13 116.57 122.03 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 0.57 0.04 0.00 0.00 -1.00 0.00 0.00 32.23 31.84 1iie h LYS 154 CO -0.19 0.32 0.00 0.09 -2.81 0.00 0.00 179.45 176.86 1iie n ASN 155 N -4.90 0.00 0.02 4.20 5.03 0.44 -4.15 115.26 115.89 1iie n ASN 155 Ca -0.08 0.30 -0.01 0.00 0.87 0.00 0.00 54.58 55.66 1iie n ASN 155 Cb 0.28 -0.41 -0.00 0.00 -1.02 0.00 0.00 39.78 38.62 1iie n ASN 155 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.26 175.84 1iie n THR 156 N -1.41 1.10 -0.27 3.41 -1.04 0.60 -5.00 114.28 111.66 1iie n THR 156 Ca 0.06 0.32 -0.29 0.00 -2.04 0.00 0.00 64.05 62.10 1iie n THR 156 Cb 0.19 -1.64 0.28 0.00 -1.82 0.00 0.00 70.33 67.34 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 -3.51 -4.55 -2.03 -2.82 0.00 0.39 -4.84 117.12 99.76 1iie n MET 157 Ca -0.02 -1.35 -0.42 0.00 0.00 0.00 0.00 57.70 55.91 1iie n MET 157 Cb 0.09 -1.87 -0.03 0.00 0.00 0.00 0.00 33.22 31.41 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 -4.86 4.24 0.49 3.17 2.02 -1.26 -4.79 118.70 117.70 1iie s GLU 158 Ca 0.63 2.22 0.30 0.00 0.02 0.00 0.00 54.97 58.15 1iie s GLU 158 Cb -0.12 -3.44 1.39 0.00 0.10 0.00 0.00 34.13 32.06 1iie s GLU 158 CO 0.53 -0.63 1.79 1.15 0.02 0.00 0.00 175.26 178.12 1iie h THR 159 N 4.58 0.44 0.00 3.63 2.02 -1.88 1.68 112.91 123.37 1iie h THR 159 Ca -0.42 -0.05 -0.17 0.00 0.77 0.00 0.00 66.41 66.54 1iie h THR 159 Cb 1.20 0.29 -0.03 0.00 -1.74 0.00 0.00 68.15 67.87 1iie h THR 159 CO 0.91 0.03 -0.87 -0.29 0.37 0.00 0.00 175.52 175.66 1iie h ILE 160 N 0.14 1.28 0.00 3.11 2.10 -1.96 0.93 117.51 123.11 1iie h ILE 160 Ca 0.58 -2.85 -0.17 0.00 1.08 0.00 0.00 64.86 63.50 1iie h ILE 160 Cb 2.01 2.62 -0.02 0.00 -1.09 0.00 0.00 36.82 40.33 1iie h ILE 160 CO -0.12 0.73 -0.81 0.44 -1.08 0.00 0.00 178.15 177.30 1iie h ASP 161 N 0.00 0.00 0.20 2.19 5.19 0.12 -0.88 116.42 123.24 1iie h ASP 161 Ca -0.03 0.00 -0.19 0.00 -0.62 0.00 0.00 57.03 56.19 1iie h ASP 161 Cb 1.63 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 41.14 1iie h ASP 161 CO 0.10 0.81 -0.75 -0.25 -3.12 0.00 0.00 179.24 176.03 1iie h TRP 162 N 0.00 0.63 -0.11 4.55 2.91 0.22 0.97 115.95 125.12 1iie h TRP 162 Ca -0.01 -0.28 0.01 0.00 1.13 0.00 0.00 58.89 59.74 1iie h TRP 162 Cb 1.48 -0.10 -0.01 0.00 -0.51 0.00 0.00 29.16 30.02 1iie h TRP 162 CO 0.00 1.06 0.02 0.87 -1.03 0.00 0.00 178.44 179.36 1iie h LYS 163 N 0.31 0.07 -0.37 2.65 1.79 0.14 0.89 116.57 122.05 1iie h LYS 163 Ca -0.04 -0.00 -0.12 0.00 -2.18 0.00 0.00 60.65 58.31 1iie h LYS 163 Cb 1.34 -0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 31.96 1iie h LYS 163 CO 0.13 0.04 -0.27 0.28 -1.08 0.00 0.00 179.45 178.56 1iie h VAL 164 N 0.07 1.28 -0.44 0.50 2.07 -1.03 -1.91 116.25 116.79 1iie h VAL 164 Ca 0.05 -1.40 -0.11 0.00 0.82 0.00 0.00 66.70 66.06 1iie h VAL 164 Cb 0.04 1.28 -0.01 0.00 -1.52 0.00 0.00 31.29 31.07 1iie h VAL 164 CO -0.06 0.46 -0.17 0.15 0.02 0.00 0.00 177.57 177.98 1iie h PHE 165 N 0.65 1.00 -0.33 1.57 3.57 0.18 0.52 116.94 124.11 1iie h PHE 165 Ca 0.08 -0.24 -0.00 0.00 3.53 0.00 0.00 57.97 61.35 1iie h PHE 165 Cb 0.79 -0.24 -0.02 0.00 2.79 0.00 0.00 35.95 39.27 1iie h PHE 165 CO 0.04 1.01 0.21 0.93 -2.23 0.00 0.00 178.31 178.27 1iie h GLU 166 N 0.71 0.44 -0.09 1.11 4.39 0.93 0.57 114.58 122.64 1iie h GLU 166 Ca 0.10 -0.04 -0.02 0.00 0.34 0.00 0.00 59.36 59.75 1iie h GLU 166 Cb 0.72 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 29.27 1iie h GLU 166 CO 0.05 0.33 -0.03 1.03 -1.16 0.00 0.00 179.01 179.23 1iie h SER 167 N 0.43 0.11 -0.14 1.42 0.87 -1.13 0.79 113.55 115.90 1iie h SER 167 Ca 0.12 -0.01 -0.16 0.00 -1.23 0.00 0.00 61.79 60.51 1iie h SER 167 Cb -0.01 -0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 61.92 1iie h SER 167 CO -0.02 0.16 -0.46 -0.25 -0.53 0.00 0.00 176.83 175.72 1iie h TRP 168 N 0.12 0.85 -0.24 2.24 7.01 0.13 0.45 115.95 126.51 1iie h TRP 168 Ca 0.03 -0.27 -0.17 0.00 2.11 0.00 0.00 58.89 60.58 1iie h TRP 168 Cb 0.13 -0.17 -0.00 0.00 -2.10 0.00 0.00 29.16 27.02 1iie h TRP 168 CO 0.00 1.03 -0.55 0.52 -2.79 0.00 0.00 178.44 176.65 1iie h MET 169 N 0.56 0.73 -0.24 2.65 2.86 0.21 0.50 114.93 122.19 1iie h MET 169 Ca 0.03 -0.46 -0.04 0.00 -2.06 0.00 0.00 59.70 57.17 1iie h MET 169 Cb 1.02 0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.72 1iie h MET 169 CO 0.10 1.08 -0.02 1.25 1.06 0.00 0.00 176.91 180.38 1iie h HIS 170 N 0.56 0.49 -0.38 -0.22 -0.00 0.78 0.63 115.15 117.01 1iie h HIS 170 Ca 0.01 -0.09 -0.05 0.00 -0.00 0.00 0.00 60.37 60.24 1iie h HIS 170 Cb 1.13 -0.12 -0.01 0.00 -0.00 0.00 0.00 27.41 28.40 1iie h HIS 170 CO 0.06 0.63 0.04 0.45 -0.00 0.00 0.00 177.93 179.12 1iie h HIS 171 N 0.20 0.69 -0.56 5.26 -0.00 0.00 0.20 115.15 120.94 1iie h HIS 171 Ca 0.07 -0.10 0.10 0.00 -0.00 0.00 0.00 60.37 60.43 1iie h HIS 171 Cb 0.45 -0.19 -0.08 0.00 -0.00 0.00 0.00 27.41 27.60 1iie h HIS 171 CO 0.04 0.70 0.14 2.35 -0.00 0.00 0.00 177.93 181.17 1iie h TRP 172 N 0.48 0.23 0.91 2.45 7.01 0.26 0.95 115.95 128.25 1iie h TRP 172 Ca 0.11 0.03 -0.04 0.00 2.11 0.00 0.00 58.89 61.10 1iie h TRP 172 Cb 0.40 -0.02 0.01 0.00 -2.10 0.00 0.00 29.16 27.45 1iie h TRP 172 CO 0.03 0.01 -0.44 1.25 -2.79 0.00 0.00 178.44 176.50 1iie h LEU 173 N 0.29 -1.05 0.03 0.65 5.85 0.12 -0.99 115.31 120.21 1iie h LEU 173 Ca 0.29 0.04 0.01 0.00 0.84 0.00 0.00 57.88 59.05 1iie h LEU 173 Cb 0.39 0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.67 1iie h LEU 173 CO -0.35 -0.74 -0.23 -0.07 -0.34 0.00 0.00 178.44 176.71 1iie h LEU 174 N -1.23 -0.69 0.00 2.25 3.38 -0.15 0.07 115.31 118.94 1iie h LEU 174 Ca -0.12 0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1iie h LEU 174 Cb 0.94 0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.95 1iie h LEU 174 CO 0.20 -0.23 0.00 0.33 0.09 0.00 0.00 178.44 178.83 1iie n PHE 175 N -3.74 0.00 0.14 1.13 7.35 0.29 0.13 117.46 122.75 1iie n PHE 175 Ca -0.03 0.00 0.19 0.00 -0.76 0.00 0.00 57.45 56.85 1iie n PHE 175 Cb 0.17 -0.44 0.73 0.00 0.35 0.00 0.00 39.48 40.29 1iie n PHE 175 CO 0.00 0.00 0.00 0.93 -0.76 0.00 0.00 176.76 176.93 1iie h GLU 176 N 0.00 0.00 0.04 -4.13 5.08 -1.14 0.91 114.58 115.33 1iie h GLU 176 Ca 0.00 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.30 1iie h GLU 176 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1iie h GLU 176 CO 0.00 0.00 -0.27 1.98 -1.00 0.00 0.00 179.01 179.72 1iie h MET 177 N 0.00 0.08 -0.33 2.33 4.05 0.16 1.79 114.93 123.01 1iie h MET 177 Ca 0.16 -0.13 0.03 0.00 -0.28 0.00 0.00 59.70 59.47 1iie h MET 177 Cb 1.09 0.05 -0.03 0.00 -0.80 0.00 0.00 31.60 31.91 1iie h MET 177 CO -0.00 1.06 0.16 0.77 0.23 0.00 0.00 176.91 179.13 1iie h SER 178 N -0.83 0.23 0.05 1.39 0.02 0.42 -3.30 113.55 111.52 1iie h SER 178 Ca -0.05 0.02 -0.34 0.00 -0.84 0.00 0.00 61.79 60.58 1iie h SER 178 Cb 1.18 -0.02 -0.04 0.00 0.14 0.00 0.00 62.40 63.66 1iie h SER 178 CO 0.03 0.17 -1.88 -2.11 -1.14 0.00 0.00 176.83 171.90 1iie n ARG 179 N -4.96 0.65 -3.34 3.45 -4.01 0.28 -5.04 116.66 103.70 1iie n ARG 179 Ca 0.00 0.36 -0.26 0.00 -1.04 0.00 0.00 57.85 56.91 1iie n ARG 179 Cb 0.08 -1.67 0.03 0.00 -3.04 0.00 0.00 32.46 27.86 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 -3.91 -2.24 -2.51 2.89 -0.00 0.61 -4.98 115.22 105.09 1iie n HIS 180 Ca -0.37 0.94 0.00 0.00 0.46 0.00 0.00 57.72 58.75 1iie n HIS 180 Cb 0.89 -1.94 0.00 0.00 -0.12 0.00 0.00 29.99 28.82 1iie n HIS 180 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 1iie n SER 181 N 0.17 0.00 0.00 0.26 2.88 -1.26 -5.05 113.62 110.61 1iie n SER 181 Ca -0.04 -0.25 0.00 0.00 -1.33 0.00 0.00 58.87 57.25 1iie n SER 181 Cb 0.59 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.05 1iie n SER 181 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1iie n LEU 182 N 0.00 0.00 0.04 2.46 4.32 -1.26 -5.11 117.00 117.44 1iie n LEU 182 Ca 0.00 0.00 -0.00 0.00 -0.02 0.00 0.00 56.01 55.99 1iie n LEU 182 Cb 0.00 0.00 -0.00 0.00 -1.62 0.00 0.00 43.42 41.80 1iie n LEU 182 CO 0.00 0.00 -0.14 -0.62 -1.22 0.00 0.00 177.39 175.41 1iie n GLU 183 N 0.00 0.00 -2.69 3.23 4.71 -1.26 -5.03 120.64 119.61 1iie n GLU 183 Ca 0.00 0.00 -0.39 0.00 -0.01 0.00 0.00 57.16 56.76 1iie n GLU 183 Cb 0.00 -0.50 -0.06 0.00 -1.01 0.00 0.00 31.44 29.87 1iie n GLU 183 CO 0.00 0.00 0.00 -0.65 0.09 0.00 0.00 177.13 176.57 1iie s GLN 184 N -2.00 4.68 -0.30 3.49 -0.21 -1.26 -4.98 119.66 119.07 1iie s GLN 184 Ca -0.00 1.51 -0.29 0.00 0.02 0.00 0.00 55.36 56.60 1iie s GLN 184 Cb 0.00 -3.06 0.00 0.00 1.00 0.00 0.00 33.01 30.95 1iie s GLN 184 CO 0.00 0.33 1.28 0.21 -2.12 0.00 0.00 175.29 175.00 1iie s LYS 185 N -1.60 3.92 -1.08 2.91 2.47 -1.26 -4.91 119.74 120.20 1iie s LYS 185 Ca 0.46 1.22 -0.21 0.00 -1.56 0.00 0.00 55.97 55.88 1iie s LYS 185 Cb -0.25 -3.87 -0.08 0.00 -1.46 0.00 0.00 37.83 32.17 1iie s LYS 185 CO 0.31 -1.11 1.93 -0.35 0.16 0.00 0.00 175.35 176.29 1iie n PRO 186 N 7.29 1.90 -0.54 4.03 -0.04 -1.26 -4.95 135.00 141.43 1iie n PRO 186 Ca 0.14 -2.37 -0.30 0.00 -0.04 0.00 0.00 63.50 60.94 1iie n PRO 186 Cb 0.47 -3.36 0.28 0.00 -0.04 0.00 0.00 33.50 30.84 1iie n PRO 186 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1iie s THR 187 N 7.22 1.35 0.45 0.52 -1.32 -1.26 -5.05 115.64 117.55 1iie s THR 187 Ca 0.61 0.00 0.05 0.00 -1.21 0.00 0.00 61.69 61.14 1iie s THR 187 Cb 0.07 -2.16 -0.04 0.00 -1.51 0.00 0.00 72.50 68.85 1iie s THR 187 CO 0.10 0.00 0.08 -1.81 -2.21 0.00 0.00 174.62 170.79 1iie s ASP 188 N -3.26 4.15 -0.48 8.08 1.11 -1.26 -5.10 116.67 119.91 1iie s ASP 188 Ca 0.69 -1.37 0.06 0.00 0.18 0.00 0.00 52.55 52.11 1iie s ASP 188 Cb -0.13 -0.09 0.24 0.00 1.07 0.00 0.00 42.92 44.01 1iie s ASP 188 CO 0.58 -0.64 0.86 0.00 1.18 0.00 0.00 175.17 177.14 1iie n ALA 189 N -1.19 -1.06 -1.43 5.23 0.00 -1.26 -5.15 120.51 115.66 1iie n ALA 189 Ca -0.08 -1.59 -0.29 0.00 0.00 0.00 0.00 53.44 51.49 1iie n ALA 189 Cb 0.66 -1.29 0.13 0.00 0.00 0.00 0.00 19.45 18.95 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 0.53 1.24 0.34 0.00 0.04 -1.26 -4.95 135.00 130.94 1iie s PRO 190 Ca 0.32 0.48 0.16 0.00 0.04 0.00 0.00 61.00 62.00 1iie s PRO 190 Cb 0.22 -1.83 0.58 0.00 0.04 0.00 0.00 34.50 33.51 1iie s PRO 190 CO -0.24 -2.17 1.70 -1.00 0.04 0.00 0.00 177.00 175.34 1iie h PRO 191 N -1.48 0.00 -0.01 0.56 0.13 -2.09 -3.58 132.00 125.53 1iie h PRO 191 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1iie h PRO 191 Cb 1.31 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.44 1iie h PRO 191 CO 0.60 0.45 0.00 1.17 -0.23 0.00 0.00 178.00 179.99