#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 -1.18 0.00 -7.48 0.00 -1.26 -4.93 105.19 90.34 1iie n GLY 119 Ca 0.00 0.53 0.00 0.00 0.00 0.00 0.00 46.02 46.55 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 -2.55 0.00 -1.74 1.61 2.85 -1.26 -4.98 115.26 109.19 1iie n ASN 120 Ca -0.06 -1.00 -0.13 0.00 -0.11 0.00 0.00 54.58 53.28 1iie n ASN 120 Cb 0.57 0.00 -0.04 0.00 1.24 0.00 0.00 39.78 41.55 1iie n ASN 120 CO 0.00 0.00 0.00 0.23 -2.11 0.00 0.00 177.26 175.38 1iie n MET 121 N 0.00 -1.59 -0.11 1.20 2.81 -1.26 -4.76 117.12 113.41 1iie n MET 121 Ca 0.00 0.73 -0.23 0.00 -1.81 0.00 0.00 57.70 56.39 1iie n MET 121 Cb 0.39 -5.10 -0.08 0.00 -0.71 0.00 0.00 33.22 27.72 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 -2.41 1.23 -0.18 2.03 -1.04 -1.26 -4.09 114.28 108.56 1iie n THR 122 Ca -0.14 -0.33 0.24 0.00 -2.04 0.00 0.00 64.05 61.77 1iie n THR 122 Cb 0.50 -1.74 0.63 0.00 -1.82 0.00 0.00 70.33 67.90 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 -0.71 0.16 0.00 -2.82 5.08 -1.96 2.10 114.58 116.43 1iie h GLU 123 Ca -0.56 -0.01 -0.14 0.00 -1.00 0.00 0.00 59.36 57.65 1iie h GLU 123 Cb 1.53 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.72 1iie h GLU 123 CO -0.31 0.11 -0.66 -0.44 -1.00 0.00 0.00 179.01 176.70 1iie h ASP 124 N 0.17 0.00 1.14 1.42 5.19 -1.96 0.65 116.42 123.03 1iie h ASP 124 Ca 0.42 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.82 1iie h ASP 124 Cb 1.39 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.90 1iie h ASP 124 CO -0.08 0.66 -0.86 -0.74 -3.12 0.00 0.00 179.24 175.10 1iie h HIS 125 N 0.00 0.00 0.05 4.55 2.76 0.70 -2.57 115.15 120.64 1iie h HIS 125 Ca -0.01 0.00 -0.34 0.00 -2.20 0.00 0.00 60.37 57.83 1iie h HIS 125 Cb 1.42 0.00 -0.04 0.00 1.55 0.00 0.00 27.41 30.34 1iie h HIS 125 CO 0.00 0.02 -1.96 0.28 -1.30 0.00 0.00 177.93 174.98 1iie n VAL 126 N -2.75 1.65 -0.18 5.26 0.31 0.63 -2.50 118.33 120.75 1iie n VAL 126 Ca 0.00 -0.73 -0.07 0.00 -0.01 0.00 0.00 64.34 63.54 1iie n VAL 126 Cb 0.56 -1.31 0.08 0.00 -0.91 0.00 0.00 33.84 32.26 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 0.03 0.97 -0.16 5.55 -1.53 0.24 -1.28 114.93 118.76 1iie h MET 127 Ca -0.39 -0.28 -0.17 0.00 -3.44 0.00 0.00 59.70 55.41 1iie h MET 127 Cb 2.03 -0.10 -0.00 0.00 -0.55 0.00 0.00 31.60 32.98 1iie h MET 127 CO 0.06 0.95 -0.62 0.45 0.14 0.00 0.00 176.91 177.89 1iie h HIS 128 N 0.90 0.72 0.00 1.39 3.86 -1.57 0.15 115.15 120.60 1iie h HIS 128 Ca 0.17 -0.28 -0.01 0.00 -1.16 0.00 0.00 60.37 59.09 1iie h HIS 128 Cb 0.51 -0.13 -0.00 0.00 1.06 0.00 0.00 27.41 28.85 1iie h HIS 128 CO 0.03 1.03 -0.04 -0.07 0.86 0.00 0.00 177.93 179.74 1iie h LEU 129 N 0.41 0.00 0.00 2.43 -0.00 -1.13 -1.19 115.31 115.83 1iie h LEU 129 Ca -0.01 0.00 -0.08 0.00 -0.00 0.00 0.00 57.88 57.79 1iie h LEU 129 Cb 1.18 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.83 1iie h LEU 129 CO 0.12 0.04 -1.70 0.18 -0.00 0.00 0.00 178.44 177.08 1iie n LEU 130 N -3.36 0.37 -0.00 1.67 4.77 -0.53 -3.09 117.00 116.82 1iie n LEU 130 Ca -0.02 0.15 0.14 0.00 -0.03 0.00 0.00 56.01 56.25 1iie n LEU 130 Cb 0.18 0.06 0.65 0.00 -2.33 0.00 0.00 43.42 41.99 1iie n LEU 130 CO 0.26 0.04 0.96 0.00 -1.33 0.00 0.00 177.39 177.32 1iie n GLN 131 N -2.54 0.15 -0.05 3.23 6.02 0.48 -2.69 117.38 121.98 1iie n GLN 131 Ca -0.08 -0.01 -0.07 0.00 -0.01 0.00 0.00 57.00 56.84 1iie n GLN 131 Cb 0.69 -1.50 -0.06 0.00 1.02 0.00 0.00 30.24 30.39 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 -1.42 3.05 0.12 1.08 2.85 -0.85 -4.54 115.26 115.55 1iie n ASN 132 Ca 0.09 -0.04 -0.00 0.00 -0.11 0.00 0.00 54.58 54.52 1iie n ASN 132 Cb 0.31 0.07 0.27 0.00 1.24 0.00 0.00 39.78 41.67 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 0.12 1.22 -3.41 5.20 0.00 -1.64 -3.42 119.26 117.33 1iie h ALA 133 Ca -0.25 -0.37 -0.38 0.00 0.00 0.00 0.00 54.91 53.91 1iie h ALA 133 Cb 1.43 -0.08 -0.36 0.00 0.00 0.00 0.00 17.79 18.78 1iie h ALA 133 CO -0.02 0.54 -0.76 -0.51 0.00 0.00 0.00 179.25 178.50 1iie s ASP 134 N -6.89 0.88 0.00 0.00 1.01 -1.09 -5.00 116.67 105.58 1iie s ASP 134 Ca -0.04 -0.04 0.18 0.00 0.71 0.00 0.00 52.55 53.35 1iie s ASP 134 Cb 0.14 -0.30 1.05 0.00 1.01 0.00 0.00 42.92 44.81 1iie s ASP 134 CO 0.76 -0.13 1.53 -0.81 0.21 0.00 0.00 175.17 176.73 1iie n PRO 135 N 4.51 0.79 -0.46 8.23 -0.04 -1.26 -3.21 135.00 143.55 1iie n PRO 135 Ca -0.19 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.34 1iie n PRO 135 Cb 0.50 -1.35 0.19 0.00 -0.04 0.00 0.00 33.50 32.81 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 -0.85 2.71 -4.80 1.53 4.77 -1.26 -5.03 117.00 114.08 1iie n LEU 136 Ca 0.13 -3.65 -0.38 0.00 -0.03 0.00 0.00 56.01 52.07 1iie n LEU 136 Cb 0.06 -0.51 -0.06 0.00 -2.33 0.00 0.00 43.42 40.58 1iie n LEU 136 CO 0.10 1.19 0.21 -0.54 -1.33 0.00 0.00 177.39 177.02 1iie s LYS 137 N -3.13 4.16 -0.06 3.23 -0.14 -1.20 -5.07 119.74 117.53 1iie s LYS 137 Ca 0.37 0.59 -0.09 0.00 -1.36 0.00 0.00 55.97 55.48 1iie s LYS 137 Cb 0.35 -3.28 0.02 0.00 -1.68 0.00 0.00 37.83 33.23 1iie s LYS 137 CO -0.04 0.53 0.22 0.08 -0.76 0.00 0.00 175.35 175.39 1iie s VAL 138 N -0.67 0.02 -0.50 3.17 1.01 -1.26 -4.90 120.40 117.28 1iie s VAL 138 Ca 0.27 -0.20 0.03 0.00 0.00 0.00 0.00 61.98 62.09 1iie s VAL 138 Cb -0.18 -0.39 0.16 0.00 0.00 0.00 0.00 36.38 35.97 1iie s VAL 138 CO 0.16 -0.11 0.34 -0.31 0.00 0.00 0.00 175.10 175.18 1iie s TYR 139 N -0.36 2.03 0.68 5.22 1.51 -1.26 -5.09 117.35 120.08 1iie s TYR 139 Ca -0.05 -2.59 -0.17 0.00 -1.01 0.00 0.00 57.07 53.25 1iie s TYR 139 Cb -0.03 -1.72 -0.01 0.00 -0.11 0.00 0.00 41.96 40.09 1iie s TYR 139 CO 0.01 -0.74 0.97 -0.35 -1.11 0.00 0.00 175.55 174.33 1iie n PRO 140 N 2.90 0.65 -1.90 -1.71 -0.04 -1.26 -4.81 135.00 128.83 1iie n PRO 140 Ca 0.19 0.27 -0.38 0.00 -0.04 0.00 0.00 63.50 63.55 1iie n PRO 140 Cb 0.39 -2.21 -0.03 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 -3.15 2.47 -1.43 0.54 0.04 -1.26 -4.84 135.00 127.37 1iie s PRO 141 Ca 0.75 0.84 -0.11 0.00 0.04 0.00 0.00 61.00 62.52 1iie s PRO 141 Cb -0.37 -4.45 0.05 0.00 0.04 0.00 0.00 34.50 29.78 1iie s PRO 141 CO 0.49 -2.90 2.33 1.28 0.04 0.00 0.00 177.00 178.24 1iie n LEU 142 N 13.69 7.42 0.25 -3.56 4.77 -1.26 -4.64 117.00 133.67 1iie n LEU 142 Ca 0.25 -4.43 0.13 0.00 -0.03 0.00 0.00 56.01 51.93 1iie n LEU 142 Cb 0.53 -1.55 0.60 0.00 -2.33 0.00 0.00 43.42 40.67 1iie n LEU 142 CO 0.71 1.54 0.90 0.11 -1.33 0.00 0.00 177.39 179.31 1iie h LYS 143 N 5.50 0.00 0.00 3.23 1.79 -1.97 -3.44 116.57 121.69 1iie h LYS 143 Ca 0.61 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 59.08 1iie h LYS 143 Cb 0.51 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.16 1iie h LYS 143 CO 1.74 0.15 0.00 0.41 -1.08 0.00 0.00 179.45 180.67 1iie n GLY 144 N -0.11 -2.80 3.99 3.86 0.00 -1.26 -4.99 105.19 103.86 1iie n GLY 144 Ca -0.00 -1.08 -0.20 0.00 0.00 0.00 0.00 46.02 44.74 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 -1.91 5.50 0.32 1.61 0.01 -1.26 -4.70 113.70 113.28 1iie s SER 145 Ca 0.00 -0.14 0.07 0.00 1.31 0.00 0.00 55.95 57.19 1iie s SER 145 Cb 0.00 -0.88 0.77 0.00 0.21 0.00 0.00 66.02 66.12 1iie s SER 145 CO 0.00 -0.92 1.81 0.15 0.41 0.00 0.00 173.24 174.69 1iie h PHE 146 N 0.35 0.97 0.00 2.43 3.57 -1.94 2.18 116.94 124.51 1iie h PHE 146 Ca -0.42 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.11 1iie h PHE 146 Cb 1.28 -0.30 0.00 0.00 2.79 0.00 0.00 35.95 39.73 1iie h PHE 146 CO 0.39 0.27 0.00 -1.00 -2.23 0.00 0.00 178.31 175.75 1iie h PRO 147 N 0.75 0.00 0.10 6.41 0.13 -1.98 0.13 132.00 137.54 1iie h PRO 147 Ca 0.53 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 65.34 1iie h PRO 147 Cb 0.84 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.96 1iie h PRO 147 CO -0.30 0.00 -1.76 0.93 -0.23 0.00 0.00 178.00 176.64 1iie h GLU 148 N 0.00 0.22 -0.33 0.86 5.08 -0.38 -2.57 114.58 117.46 1iie h GLU 148 Ca 0.00 -0.38 0.03 0.00 -1.00 0.00 0.00 59.36 58.01 1iie h GLU 148 Cb 0.67 0.14 -0.02 0.00 0.50 0.00 0.00 28.75 30.04 1iie h GLU 148 CO 0.00 1.18 0.22 -0.91 -1.00 0.00 0.00 179.01 178.50 1iie h ASN 149 N -0.19 0.28 0.06 1.42 -0.26 0.35 1.44 115.58 118.67 1iie h ASN 149 Ca -0.39 -0.00 -0.08 0.00 -0.56 0.00 0.00 56.30 55.27 1iie h ASN 149 Cb 1.86 -0.06 0.01 0.00 -1.06 0.00 0.00 38.32 39.06 1iie h ASN 149 CO 0.03 0.19 -0.37 -0.07 -1.06 0.00 0.00 177.43 176.15 1iie h LEU 150 N 0.32 0.18 -1.57 1.61 3.38 -0.82 -1.78 115.31 116.63 1iie h LEU 150 Ca 0.13 -0.96 -0.03 0.00 0.09 0.00 0.00 57.88 57.11 1iie h LEU 150 Cb 0.14 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 40.82 1iie h LEU 150 CO -0.03 1.18 -0.12 0.03 0.09 0.00 0.00 178.44 179.58 1iie h ARG 151 N -0.75 0.00 0.08 1.13 2.47 -1.05 0.92 114.38 117.18 1iie h ARG 151 Ca -0.07 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.65 1iie h ARG 151 Cb 1.27 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.59 1iie h ARG 151 CO 0.05 0.12 -0.04 1.25 0.56 0.00 0.00 179.97 181.92 1iie h HIS 152 N 0.00 -0.10 -0.87 3.04 2.76 0.20 1.22 115.15 121.39 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 0.51 0.03 -0.07 0.00 1.55 0.00 0.00 27.41 29.44 1iie h HIS 152 CO 0.00 0.45 0.56 -0.07 -1.30 0.00 0.00 177.93 177.57 1iie h LEU 153 N -0.86 0.62 0.16 0.26 3.38 -1.04 1.92 115.31 119.76 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 0.59 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.26 1iie h LEU 153 CO 0.02 0.32 -0.08 0.50 0.09 0.00 0.00 178.44 179.29 1iie h LYS 154 N 0.66 -0.21 0.00 1.13 3.11 -0.72 1.16 116.57 121.71 1iie h LYS 154 Ca 0.43 0.01 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 0.22 0.00 -1.71 -2.81 0.00 0.00 179.45 174.96 1iie n ASN 155 N -4.93 0.00 0.03 4.20 2.85 0.42 -4.13 115.26 113.69 1iie n ASN 155 Ca -0.08 0.19 -0.01 0.00 -0.11 0.00 0.00 54.58 54.57 1iie n ASN 155 Cb 0.27 -0.36 -0.00 0.00 1.24 0.00 0.00 39.78 40.92 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 -1.36 1.12 -0.27 -0.44 -1.04 0.64 -5.00 114.28 107.93 1iie n THR 156 Ca 0.07 0.33 -0.30 0.00 -2.04 0.00 0.00 64.05 62.12 1iie n THR 156 Cb 0.18 -1.62 0.29 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 -3.50 -4.52 -1.91 -2.82 0.00 0.40 -4.85 117.12 99.93 1iie n MET 157 Ca -0.02 -1.34 -0.42 0.00 0.00 0.00 0.00 57.70 55.93 1iie n MET 157 Cb 0.07 -1.95 -0.03 0.00 0.00 0.00 0.00 33.22 31.31 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 -4.93 4.20 0.49 3.17 2.02 -1.26 -4.79 118.70 117.60 1iie s GLU 158 Ca 0.67 2.37 0.30 0.00 0.02 0.00 0.00 54.97 58.34 1iie s GLU 158 Cb -0.14 -3.36 1.40 0.00 0.10 0.00 0.00 34.13 32.13 1iie s GLU 158 CO 0.58 -0.68 1.80 1.15 0.02 0.00 0.00 175.26 178.13 1iie h THR 159 N 4.37 0.45 0.00 3.63 2.02 -1.89 1.62 112.91 123.12 1iie h THR 159 Ca -0.43 -0.04 -0.17 0.00 0.77 0.00 0.00 66.41 66.53 1iie h THR 159 Cb 1.20 0.32 -0.03 0.00 -1.74 0.00 0.00 68.15 67.90 1iie h THR 159 CO 0.92 0.02 -0.92 -0.29 0.37 0.00 0.00 175.52 175.63 1iie h ILE 160 N 0.13 1.21 0.00 3.11 2.10 -1.96 0.88 117.51 122.98 1iie h ILE 160 Ca 0.56 -2.78 -0.17 0.00 1.08 0.00 0.00 64.86 63.55 1iie h ILE 160 Cb 1.97 2.58 -0.02 0.00 -1.09 0.00 0.00 36.82 40.26 1iie h ILE 160 CO -0.11 0.69 -0.82 0.44 -1.08 0.00 0.00 178.15 177.28 1iie h ASP 161 N 0.00 0.00 0.21 2.19 5.19 0.98 -0.77 116.42 124.22 1iie h ASP 161 Ca -0.05 0.00 -0.20 0.00 -0.62 0.00 0.00 57.03 56.17 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 0.09 0.82 -0.78 -0.25 -3.12 0.00 0.00 179.24 176.00 1iie h TRP 162 N 0.00 0.64 -0.10 4.55 2.91 0.20 0.89 115.95 125.04 1iie h TRP 162 Ca -0.01 -0.30 0.01 0.00 1.13 0.00 0.00 58.89 59.73 1iie h TRP 162 Cb 1.47 -0.09 -0.01 0.00 -0.51 0.00 0.00 29.16 30.02 1iie h TRP 162 CO 0.00 1.08 0.00 0.87 -1.03 0.00 0.00 178.44 179.36 1iie h LYS 163 N 0.31 0.04 -0.44 2.65 1.79 0.12 0.78 116.57 121.82 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 1.38 -0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 32.00 1iie h LYS 163 CO 0.14 0.02 -0.20 0.28 -1.08 0.00 0.00 179.45 178.61 1iie h VAL 164 N 0.04 1.27 -0.34 0.50 2.07 -1.02 -0.15 116.25 118.61 1iie h VAL 164 Ca 0.04 -1.33 -0.05 0.00 0.82 0.00 0.00 66.70 66.19 1iie h VAL 164 Cb 0.05 1.15 -0.01 0.00 -1.52 0.00 0.00 31.29 30.95 1iie h VAL 164 CO -0.07 0.45 0.03 0.15 0.02 0.00 0.00 177.57 178.15 1iie h PHE 165 N 0.75 0.62 -0.63 1.57 3.57 0.16 0.76 116.94 123.75 1iie h PHE 165 Ca 0.11 -0.10 -0.00 0.00 3.53 0.00 0.00 57.97 61.51 1iie h PHE 165 Cb 0.73 -0.17 -0.03 0.00 2.79 0.00 0.00 35.95 39.28 1iie h PHE 165 CO 0.04 0.66 0.38 0.93 -2.23 0.00 0.00 178.31 178.09 1iie h GLU 166 N 0.40 0.85 -0.15 1.11 4.39 0.71 0.98 114.58 122.88 1iie h GLU 166 Ca 0.10 -0.08 -0.04 0.00 0.34 0.00 0.00 59.36 59.68 1iie h GLU 166 Cb 0.39 -0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 28.85 1iie h GLU 166 CO 0.01 0.61 -0.11 1.03 -1.16 0.00 0.00 179.01 179.40 1iie h SER 167 N 0.85 0.21 -0.15 1.42 0.87 -0.59 0.76 113.55 116.92 1iie h SER 167 Ca 0.23 -0.04 -0.17 0.00 -1.23 0.00 0.00 61.79 60.58 1iie h SER 167 Cb -0.02 -0.05 -0.00 0.00 -0.44 0.00 0.00 62.40 61.88 1iie h SER 167 CO -0.04 0.35 -0.52 -0.25 -0.53 0.00 0.00 176.83 175.83 1iie h TRP 168 N 0.22 0.91 -0.17 2.24 7.01 0.34 0.28 115.95 126.77 1iie h TRP 168 Ca 0.05 -0.31 -0.17 0.00 2.11 0.00 0.00 58.89 60.56 1iie h TRP 168 Cb 0.33 -0.17 -0.00 0.00 -2.10 0.00 0.00 29.16 27.21 1iie h TRP 168 CO 0.00 1.09 -0.59 0.52 -2.79 0.00 0.00 178.44 176.68 1iie h MET 169 N 0.57 0.55 -0.12 2.65 2.86 0.20 0.44 114.93 122.07 1iie h MET 169 Ca 0.02 -0.36 -0.02 0.00 -2.06 0.00 0.00 59.70 57.28 1iie h MET 169 Cb 1.10 0.05 -0.00 0.00 0.06 0.00 0.00 31.60 32.80 1iie h MET 169 CO 0.11 0.98 0.01 1.25 1.06 0.00 0.00 176.91 180.32 1iie h HIS 170 N 0.41 0.23 -0.33 -0.22 -0.00 0.74 0.82 115.15 116.80 1iie h HIS 170 Ca -0.00 -0.04 -0.03 0.00 -0.00 0.00 0.00 60.37 60.31 1iie h HIS 170 Cb 1.14 -0.06 -0.01 0.00 -0.00 0.00 0.00 27.41 28.48 1iie h HIS 170 CO 0.05 0.42 0.10 0.45 -0.00 0.00 0.00 177.93 178.95 1iie h HIS 171 N -0.04 0.53 -0.95 5.26 -0.00 -0.35 0.27 115.15 119.87 1iie h HIS 171 Ca 0.04 -0.05 0.15 0.00 -0.00 0.00 0.00 60.37 60.50 1iie h HIS 171 Cb 0.33 -0.15 -0.09 0.00 -0.00 0.00 0.00 27.41 27.49 1iie h HIS 171 CO 0.03 0.53 0.56 2.35 -0.00 0.00 0.00 177.93 181.39 1iie h TRP 172 N 0.37 0.99 0.57 2.45 7.01 0.12 -0.27 115.95 127.20 1iie h TRP 172 Ca 0.10 0.03 -0.03 0.00 2.11 0.00 0.00 58.89 61.11 1iie h TRP 172 Cb 0.26 -0.30 0.01 0.00 -2.10 0.00 0.00 29.16 27.02 1iie h TRP 172 CO 0.01 0.29 -0.27 1.25 -2.79 0.00 0.00 178.44 176.92 1iie h LEU 173 N 0.79 -0.65 -0.05 0.65 5.85 0.22 -2.44 115.31 119.68 1iie h LEU 173 Ca 0.51 -0.03 0.01 0.00 0.84 0.00 0.00 57.88 59.21 1iie h LEU 173 Cb 0.68 0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.84 1iie h LEU 173 CO -0.34 -0.28 -0.31 -0.07 -0.34 0.00 0.00 178.44 177.11 1iie h LEU 174 N -1.08 -0.96 -0.36 2.25 3.38 0.00 0.67 115.31 119.21 1iie h LEU 174 Ca -0.08 0.11 0.03 0.00 0.09 0.00 0.00 57.88 58.04 1iie h LEU 174 Cb 0.64 0.37 -0.04 0.00 0.09 0.00 0.00 40.66 41.72 1iie h LEU 174 CO 0.13 -0.28 -0.21 0.33 0.09 0.00 0.00 178.44 178.49 1iie n PHE 175 N -4.17 -0.16 -0.07 1.13 -0.00 -0.16 0.17 117.46 114.20 1iie n PHE 175 Ca -0.04 0.45 0.18 0.00 -0.00 0.00 0.00 57.45 58.04 1iie n PHE 175 Cb 0.22 -0.50 0.61 0.00 -0.00 0.00 0.00 39.48 39.80 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 0.18 0.12 -4.13 5.08 -1.20 0.48 114.58 115.10 1iie h GLU 176 Ca 0.06 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.40 1iie h GLU 176 Cb 0.15 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.36 1iie h GLU 176 CO -0.34 0.12 -0.06 1.98 -1.00 0.00 0.00 179.01 179.71 1iie h MET 177 N 0.18 -0.15 -1.00 2.33 4.05 0.30 -3.13 114.93 117.51 1iie h MET 177 Ca 0.30 0.01 0.17 0.00 -0.28 0.00 0.00 59.70 59.90 1iie h MET 177 Cb 0.93 0.03 -0.10 0.00 -0.80 0.00 0.00 31.60 31.66 1iie h MET 177 CO -0.05 0.17 0.61 0.66 0.23 0.00 0.00 176.91 178.54 1iie h SER 178 N -0.99 0.83 -0.34 1.39 4.64 0.23 0.41 113.55 119.72 1iie h SER 178 Ca -0.02 0.08 -0.19 0.00 -0.47 0.00 0.00 61.79 61.20 1iie h SER 178 Cb 0.40 -0.07 -0.11 0.00 -0.31 0.00 0.00 62.40 62.31 1iie h SER 178 CO 0.03 0.34 0.24 -2.11 -0.87 0.00 0.00 176.83 174.46 1iie n ARG 179 N -4.72 1.45 -0.71 4.77 -4.01 0.16 -4.26 116.66 109.33 1iie n ARG 179 Ca 0.22 -1.05 -0.03 0.00 -1.04 0.00 0.00 57.85 55.95 1iie n ARG 179 Cb 0.50 -1.41 0.23 0.00 -3.04 0.00 0.00 32.46 28.73 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 0.02 1.71 0.22 2.89 -0.00 0.13 -4.22 115.22 115.98 1iie n HIS 180 Ca 0.21 -0.85 0.11 0.00 0.46 0.00 0.00 57.72 57.65 1iie n HIS 180 Cb 0.87 -0.52 0.28 0.00 -0.12 0.00 0.00 29.99 30.50 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 2.02 0.00 0.00 0.26 4.64 -1.83 -3.28 113.55 115.36 1iie h SER 181 Ca 0.16 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 61.15 1iie h SER 181 Cb 1.82 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.85 1iie h SER 181 CO 0.50 0.10 -2.31 0.18 -0.87 0.00 0.00 176.83 174.44 1iie n LEU 182 N -3.15 0.00 -2.36 5.97 4.77 -1.26 -4.48 117.00 116.49 1iie n LEU 182 Ca 0.03 0.00 -0.22 0.00 -0.03 0.00 0.00 56.01 55.79 1iie n LEU 182 Cb 0.50 0.46 -0.10 0.00 -2.33 0.00 0.00 43.42 41.95 1iie n LEU 182 CO 0.34 0.46 1.70 -0.62 -1.33 0.00 0.00 177.39 177.93 1iie n GLU 183 N -2.69 2.38 -4.52 3.23 4.71 -1.24 -4.89 120.64 117.62 1iie n GLU 183 Ca -0.30 -1.83 -0.24 0.00 -0.01 0.00 0.00 57.16 54.78 1iie n GLU 183 Cb 1.11 -2.13 -0.11 0.00 -1.01 0.00 0.00 31.44 29.30 1iie n GLU 183 CO 0.00 0.00 0.00 -1.14 0.09 0.00 0.00 177.13 176.08 1iie s GLN 184 N -0.41 1.77 0.15 3.49 0.74 -1.26 -5.01 119.66 119.13 1iie s GLN 184 Ca 0.63 -1.99 0.06 0.00 0.05 0.00 0.00 55.36 54.11 1iie s GLN 184 Cb 0.34 -1.21 -0.04 0.00 1.10 0.00 0.00 33.01 33.20 1iie s GLN 184 CO -0.12 -0.11 0.05 0.15 -0.55 0.00 0.00 175.29 174.71 1iie s LYS 185 N -3.80 2.64 -0.38 1.67 1.02 -1.26 -5.06 119.74 114.56 1iie s LYS 185 Ca 0.35 -0.95 -0.29 0.00 0.02 0.00 0.00 55.97 55.11 1iie s LYS 185 Cb 0.09 -2.52 -0.00 0.00 -0.52 0.00 0.00 37.83 34.88 1iie s LYS 185 CO 0.16 0.49 1.57 -1.25 -0.92 0.00 0.00 175.35 175.40 1iie s PRO 186 N -2.85 3.47 0.12 -1.68 0.04 -1.26 -4.91 135.00 127.93 1iie s PRO 186 Ca 0.28 1.12 -0.15 0.00 0.04 0.00 0.00 61.00 62.30 1iie s PRO 186 Cb -0.10 -4.10 0.05 0.00 0.04 0.00 0.00 34.50 30.39 1iie s PRO 186 CO 0.20 -1.69 0.72 -2.37 0.04 0.00 0.00 177.00 173.90 1iie n THR 187 N 7.22 0.00 -3.15 1.26 5.66 -1.26 -5.15 114.28 118.86 1iie n THR 187 Ca 0.19 -0.37 0.05 0.00 -3.05 0.00 0.00 64.05 60.87 1iie n THR 187 Cb 0.47 0.52 -0.00 0.00 -1.55 0.00 0.00 70.33 69.78 1iie n THR 187 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 1iie s ASP 188 N -2.69 -0.77 -0.31 1.09 2.15 -1.26 -5.12 116.67 109.76 1iie s ASP 188 Ca 0.16 0.15 -0.02 0.00 0.43 0.00 0.00 52.55 53.27 1iie s ASP 188 Cb -0.02 1.51 0.11 0.00 -0.30 0.00 0.00 42.92 44.22 1iie s ASP 188 CO 0.04 -0.14 0.13 0.00 -0.17 0.00 0.00 175.17 175.03 1iie s ALA 189 N 2.92 0.99 0.47 3.66 0.00 -1.26 -5.12 121.76 123.42 1iie s ALA 189 Ca 0.19 -1.41 -0.20 0.00 0.00 0.00 0.00 51.96 50.54 1iie s ALA 189 Cb -0.06 -1.50 -0.09 0.00 0.00 0.00 0.00 23.12 21.47 1iie s ALA 189 CO -0.22 -1.72 1.01 -1.25 0.00 0.00 0.00 175.76 173.58 1iie s PRO 190 N 1.77 3.93 -0.23 0.00 0.04 -1.26 -4.99 135.00 134.27 1iie s PRO 190 Ca 0.11 1.27 -0.29 0.00 0.04 0.00 0.00 61.00 62.12 1iie s PRO 190 Cb -0.17 -2.12 -0.00 0.00 0.04 0.00 0.00 34.50 32.24 1iie s PRO 190 CO -0.28 -0.31 1.22 -1.25 0.04 0.00 0.00 177.00 176.43 1iie s PRO 191 N -3.26 4.13 0.00 0.56 0.04 -1.26 -5.37 135.00 129.85 1iie s PRO 191 Ca 0.65 1.45 0.31 0.00 0.04 0.00 0.00 61.00 63.45 1iie s PRO 191 Cb -0.14 -3.77 1.77 0.00 0.04 0.00 0.00 34.50 32.40 1iie s PRO 191 CO 0.18 -0.83 2.15 1.63 0.04 0.00 0.00 177.00 180.18