#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 -4.81 0.00 2.98 0.00 -1.26 -5.07 105.19 97.03 1iie n GLY 119 Ca 0.00 1.22 0.00 0.00 0.00 0.00 0.00 46.02 47.24 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 1.32 0.00 0.26 1.61 4.05 -1.26 -4.99 115.26 116.25 1iie n ASN 120 Ca -0.31 -0.33 0.16 0.00 0.45 0.00 0.00 54.58 54.55 1iie n ASN 120 Cb 0.47 0.00 0.58 0.00 1.23 0.00 0.00 39.78 42.06 1iie n ASN 120 CO 0.00 0.00 0.00 0.24 -3.05 0.00 0.00 177.26 174.45 1iie h MET 121 N 0.00 0.00 -0.96 1.20 2.86 -2.02 -3.08 114.93 112.93 1iie h MET 121 Ca 0.00 0.00 0.28 0.00 -2.06 0.00 0.00 59.70 57.92 1iie h MET 121 Cb 0.00 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 31.62 1iie h MET 121 CO 0.00 0.03 0.70 1.15 1.06 0.00 0.00 176.91 179.85 1iie h THR 122 N 0.00 0.49 -0.53 2.22 2.02 -1.97 0.26 112.91 115.40 1iie h THR 122 Ca -0.00 0.00 -0.11 0.00 0.77 0.00 0.00 66.41 67.07 1iie h THR 122 Cb 0.62 0.51 -0.02 0.00 -1.74 0.00 0.00 68.15 67.52 1iie h THR 122 CO 0.00 0.00 -0.08 -0.33 0.37 0.00 0.00 175.52 175.48 1iie h GLU 123 N 0.00 1.00 0.00 6.66 5.08 -1.95 1.42 114.58 126.79 1iie h GLU 123 Ca 0.45 -0.36 -0.06 0.00 -1.00 0.00 0.00 59.36 58.40 1iie h GLU 123 Cb 1.85 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 31.03 1iie h GLU 123 CO -0.00 1.04 -0.27 -0.44 -1.00 0.00 0.00 179.01 178.33 1iie h ASP 124 N 0.87 0.00 0.82 1.42 3.32 -0.76 1.31 116.42 123.40 1iie h ASP 124 Ca 0.14 0.00 -0.20 0.00 0.02 0.00 0.00 57.03 56.99 1iie h ASP 124 Cb 0.64 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.16 1iie h ASP 124 CO 0.04 0.27 -1.28 -0.74 -1.72 0.00 0.00 179.24 175.81 1iie h HIS 125 N 0.00 0.00 0.10 4.55 2.76 -0.56 -2.42 115.15 119.58 1iie h HIS 125 Ca -0.00 0.00 -0.32 0.00 -2.20 0.00 0.00 60.37 57.85 1iie h HIS 125 Cb 0.84 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 29.79 1iie h HIS 125 CO 0.00 0.75 -1.67 0.28 -1.30 0.00 0.00 177.93 175.99 1iie h VAL 126 N 0.00 0.98 -0.55 5.26 2.07 0.22 -2.50 116.25 121.73 1iie h VAL 126 Ca -0.15 -2.67 -0.06 0.00 0.82 0.00 0.00 66.70 64.64 1iie h VAL 126 Cb 1.70 2.65 -0.02 0.00 -1.52 0.00 0.00 31.29 34.09 1iie h VAL 126 CO 0.07 0.78 0.08 -0.03 0.02 0.00 0.00 177.57 178.50 1iie h MET 127 N 0.06 0.88 -0.16 1.57 -1.53 0.16 -0.89 114.93 115.01 1iie h MET 127 Ca -0.29 -0.21 -0.17 0.00 -3.44 0.00 0.00 59.70 55.59 1iie h MET 127 Cb 2.02 -0.12 -0.00 0.00 -0.55 0.00 0.00 31.60 32.95 1iie h MET 127 CO 0.13 0.82 -0.60 0.45 0.14 0.00 0.00 176.91 177.85 1iie h HIS 128 N 0.83 0.69 0.00 1.39 3.86 -1.50 0.37 115.15 120.79 1iie h HIS 128 Ca 0.17 -0.26 0.00 0.00 -1.16 0.00 0.00 60.37 59.12 1iie h HIS 128 Cb 0.38 -0.12 0.00 0.00 1.06 0.00 0.00 27.41 28.73 1iie h HIS 128 CO 0.02 1.01 0.00 -0.07 0.86 0.00 0.00 177.93 179.75 1iie h LEU 129 N 0.40 0.00 0.00 2.43 -0.00 -0.87 -1.92 115.31 115.35 1iie h LEU 129 Ca -0.00 0.00 -0.16 0.00 -0.00 0.00 0.00 57.88 57.71 1iie h LEU 129 Cb 1.16 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 41.79 1iie h LEU 129 CO 0.11 0.00 -2.16 0.18 -0.00 0.00 0.00 178.44 176.57 1iie n LEU 130 N -3.03 0.00 0.00 1.67 4.77 -0.42 -3.62 117.00 116.38 1iie n LEU 130 Ca -0.01 0.00 0.13 0.00 -0.03 0.00 0.00 56.01 56.09 1iie n LEU 130 Cb 0.18 0.22 0.59 0.00 -2.33 0.00 0.00 43.42 42.08 1iie n LEU 130 CO 0.23 0.22 0.92 0.00 -1.33 0.00 0.00 177.39 177.43 1iie n GLN 131 N -2.47 0.14 -0.07 3.23 6.02 0.12 -2.20 117.38 122.16 1iie n GLN 131 Ca -0.17 0.05 -0.08 0.00 -0.01 0.00 0.00 57.00 56.79 1iie n GLN 131 Cb 0.83 -1.50 -0.09 0.00 1.02 0.00 0.00 30.24 30.50 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 2.25 0.03 1.08 5.15 -0.92 -4.48 115.26 116.96 1iie n ASN 132 Ca 0.09 -0.04 -0.07 0.00 -0.60 0.00 0.00 54.58 53.96 1iie n ASN 132 Cb 0.27 0.36 0.10 0.00 -0.53 0.00 0.00 39.78 39.97 1iie n ASN 132 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1iie h ALA 133 N 0.36 0.82 -3.21 5.20 0.00 -1.62 -3.41 119.26 117.40 1iie h ALA 133 Ca -0.35 -0.49 -0.50 0.00 0.00 0.00 0.00 54.91 53.56 1iie h ALA 133 Cb 1.69 -0.09 -0.37 0.00 0.00 0.00 0.00 17.79 19.01 1iie h ALA 133 CO -0.01 0.68 -0.79 -0.51 0.00 0.00 0.00 179.25 178.61 1iie s ASP 134 N -6.90 2.04 0.00 0.00 1.01 -0.93 -4.99 116.67 106.91 1iie s ASP 134 Ca -0.06 -0.26 0.21 0.00 0.71 0.00 0.00 52.55 53.15 1iie s ASP 134 Cb 0.12 -0.73 1.18 0.00 1.01 0.00 0.00 42.92 44.50 1iie s ASP 134 CO 0.82 -0.14 1.64 -0.81 0.21 0.00 0.00 175.17 176.88 1iie n PRO 135 N 5.00 0.54 -0.28 8.23 -0.04 -1.26 -2.86 135.00 144.32 1iie n PRO 135 Ca -0.11 0.03 0.08 0.00 -0.04 0.00 0.00 63.50 63.46 1iie n PRO 135 Cb 0.50 -1.50 0.17 0.00 -0.04 0.00 0.00 33.50 32.63 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 -1.10 2.74 -4.66 1.53 4.77 -1.26 -5.00 117.00 114.02 1iie n LEU 136 Ca 0.14 -3.30 -0.39 0.00 -0.03 0.00 0.00 56.01 52.43 1iie n LEU 136 Cb 0.10 -0.48 -0.07 0.00 -2.33 0.00 0.00 43.42 40.64 1iie n LEU 136 CO 0.13 0.89 0.19 -0.54 -1.33 0.00 0.00 177.39 176.72 1iie s LYS 137 N -2.97 4.18 0.14 3.23 -0.14 -1.14 -5.06 119.74 117.98 1iie s LYS 137 Ca 0.35 0.33 0.07 0.00 -1.36 0.00 0.00 55.97 55.37 1iie s LYS 137 Cb 0.32 -3.56 -0.04 0.00 -1.68 0.00 0.00 37.83 32.87 1iie s LYS 137 CO 0.01 -0.12 -0.17 0.08 -0.76 0.00 0.00 175.35 174.40 1iie s VAL 138 N 1.55 1.58 -0.44 3.17 1.01 -1.26 -4.83 120.40 121.18 1iie s VAL 138 Ca 0.22 -1.76 0.03 0.00 0.00 0.00 0.00 61.98 60.47 1iie s VAL 138 Cb -0.15 -1.65 0.16 0.00 0.00 0.00 0.00 36.38 34.73 1iie s VAL 138 CO 0.09 -0.32 0.31 -0.31 0.00 0.00 0.00 175.10 174.87 1iie s TYR 139 N -1.93 1.49 0.61 5.22 1.51 -1.26 -5.10 117.35 117.89 1iie s TYR 139 Ca 0.11 -2.31 -0.18 0.00 -1.01 0.00 0.00 57.07 53.67 1iie s TYR 139 Cb -0.06 -1.33 -0.04 0.00 -0.11 0.00 0.00 41.96 40.42 1iie s TYR 139 CO 0.05 -0.78 1.05 -0.35 -1.11 0.00 0.00 175.55 174.40 1iie n PRO 140 N 3.14 0.97 -1.90 -1.71 -0.04 -1.26 -4.81 135.00 129.38 1iie n PRO 140 Ca 0.20 0.38 -0.36 0.00 -0.04 0.00 0.00 63.50 63.68 1iie n PRO 140 Cb 0.41 -2.26 -0.03 0.00 -0.04 0.00 0.00 33.50 31.58 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 -2.89 2.45 -1.52 0.54 0.04 -1.26 -4.83 135.00 127.52 1iie s PRO 141 Ca 0.77 0.73 -0.10 0.00 0.04 0.00 0.00 61.00 62.44 1iie s PRO 141 Cb -0.41 -4.51 -0.01 0.00 0.04 0.00 0.00 34.50 29.61 1iie s PRO 141 CO 0.46 -2.99 2.65 1.28 0.04 0.00 0.00 177.00 178.44 1iie n LEU 142 N 13.87 8.14 0.27 -3.56 4.77 -1.26 -4.58 117.00 134.66 1iie n LEU 142 Ca 0.27 -4.43 0.18 0.00 -0.03 0.00 0.00 56.01 52.00 1iie n LEU 142 Cb 0.52 -1.54 0.84 0.00 -2.33 0.00 0.00 43.42 40.91 1iie n LEU 142 CO 0.69 1.84 1.03 0.11 -1.33 0.00 0.00 177.39 179.74 1iie h LYS 143 N 5.18 0.00 0.00 3.23 1.57 -1.98 -3.43 116.57 121.14 1iie h LYS 143 Ca 0.76 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.54 1iie h LYS 143 Cb 0.38 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.69 1iie h LYS 143 CO 1.75 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 181.04 1iie n GLY 144 N -0.47 -3.31 3.92 3.86 0.00 -1.26 -4.97 105.19 102.95 1iie n GLY 144 Ca -0.01 -1.17 -0.26 0.00 0.00 0.00 0.00 46.02 44.58 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 -1.96 6.21 0.30 1.61 0.01 -1.26 -4.65 113.70 113.95 1iie s SER 145 Ca 0.00 0.78 0.05 0.00 1.31 0.00 0.00 55.95 58.09 1iie s SER 145 Cb 0.00 -2.13 0.76 0.00 0.21 0.00 0.00 66.02 64.86 1iie s SER 145 CO 0.00 -0.55 1.72 0.15 0.41 0.00 0.00 173.24 174.97 1iie h PHE 146 N 0.33 0.80 0.00 2.43 3.57 -1.93 2.50 116.94 124.64 1iie h PHE 146 Ca -0.47 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.06 1iie h PHE 146 Cb 1.21 -0.21 0.00 0.00 2.79 0.00 0.00 35.95 39.74 1iie h PHE 146 CO 0.55 0.02 0.00 -1.00 -2.23 0.00 0.00 178.31 175.66 1iie h PRO 147 N 0.50 0.00 0.10 6.41 0.13 -1.98 0.19 132.00 137.35 1iie h PRO 147 Ca 0.58 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 65.43 1iie h PRO 147 Cb 1.07 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.19 1iie h PRO 147 CO -0.49 0.00 -1.47 0.93 -0.23 0.00 0.00 178.00 176.74 1iie h GLU 148 N 0.00 0.22 -0.24 0.86 4.39 0.39 -2.41 114.58 117.79 1iie h GLU 148 Ca 0.00 -0.37 0.03 0.00 0.34 0.00 0.00 59.36 59.36 1iie h GLU 148 Cb 0.66 0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 29.44 1iie h GLU 148 CO 0.00 1.18 0.16 -0.91 -1.16 0.00 0.00 179.01 178.28 1iie h ASN 149 N -0.33 0.17 0.01 1.42 2.35 0.40 1.43 115.58 121.02 1iie h ASN 149 Ca -0.32 -0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.40 1iie h ASN 149 Cb 1.74 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 40.08 1iie h ASN 149 CO 0.03 0.12 -0.12 -0.07 -1.65 0.00 0.00 177.43 175.74 1iie h LEU 150 N 0.19 0.04 -1.89 1.61 3.38 -0.68 -1.76 115.31 116.20 1iie h LEU 150 Ca 0.10 -0.98 -0.02 0.00 0.09 0.00 0.00 57.88 57.08 1iie h LEU 150 Cb 0.17 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 1iie h LEU 150 CO -0.02 1.05 -0.08 0.03 0.09 0.00 0.00 178.44 179.51 1iie h ARG 151 N -0.94 0.00 0.08 1.13 2.47 -0.99 0.19 114.38 116.31 1iie h ARG 151 Ca -0.03 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.69 1iie h ARG 151 Cb 1.07 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.39 1iie h ARG 151 CO 0.01 0.08 -0.04 1.25 0.56 0.00 0.00 179.97 181.83 1iie h HIS 152 N 0.00 -0.09 -0.86 3.04 2.76 0.19 1.23 115.15 121.42 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 0.37 0.03 -0.07 0.00 1.55 0.00 0.00 27.41 29.30 1iie h HIS 152 CO 0.00 0.47 0.56 -0.07 -1.30 0.00 0.00 177.93 177.59 1iie h LEU 153 N -0.86 0.63 0.17 0.26 3.38 -0.86 1.91 115.31 119.94 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 0.60 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.26 1iie h LEU 153 CO 0.02 0.33 -0.08 0.50 0.09 0.00 0.00 178.44 179.29 1iie h LYS 154 N 0.67 -0.22 0.00 1.13 3.11 -0.54 1.21 116.57 121.93 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 0.69 0.05 0.00 0.00 -1.00 0.00 0.00 32.23 31.97 1iie h LYS 154 CO -0.19 0.20 0.00 -1.71 -2.81 0.00 0.00 179.45 174.94 1iie n ASN 155 N -4.94 0.00 0.03 4.20 5.15 0.42 -4.14 115.26 115.97 1iie n ASN 155 Ca -0.08 0.19 -0.01 0.00 -0.60 0.00 0.00 54.58 54.08 1iie n ASN 155 Cb 0.26 -0.36 -0.00 0.00 -0.53 0.00 0.00 39.78 39.15 1iie n ASN 155 CO 0.00 0.00 0.00 0.41 1.40 0.00 0.00 177.26 179.07 1iie n THR 156 N -1.36 1.01 -0.34 -0.44 -1.04 0.64 -5.00 114.28 107.75 1iie n THR 156 Ca 0.07 0.31 -0.28 0.00 -2.04 0.00 0.00 64.05 62.12 1iie n THR 156 Cb 0.17 -1.55 0.26 0.00 -1.82 0.00 0.00 70.33 67.39 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 -3.38 -3.90 -1.92 -2.82 0.00 0.42 -4.82 117.12 100.69 1iie n MET 157 Ca -0.01 -1.15 -0.42 0.00 0.00 0.00 0.00 57.70 56.12 1iie n MET 157 Cb 0.05 -1.86 -0.03 0.00 0.00 0.00 0.00 33.22 31.38 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 -4.57 4.21 0.50 3.17 2.02 -1.26 -4.79 118.70 117.97 1iie s GLU 158 Ca 0.61 2.37 0.31 0.00 0.02 0.00 0.00 54.97 58.27 1iie s GLU 158 Cb -0.13 -3.29 1.41 0.00 0.10 0.00 0.00 34.13 32.22 1iie s GLU 158 CO 0.54 -0.65 1.79 1.15 0.02 0.00 0.00 175.26 178.10 1iie h THR 159 N 4.25 0.43 0.00 3.63 2.02 -1.88 1.55 112.91 122.91 1iie h THR 159 Ca -0.43 -0.04 -0.18 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 -0.93 -0.29 0.37 0.00 0.00 175.52 175.61 1iie h ILE 160 N 0.12 1.22 0.00 3.11 2.10 -1.95 0.83 117.51 122.93 1iie h ILE 160 Ca 0.59 -2.80 -0.17 0.00 1.08 0.00 0.00 64.86 63.56 1iie h ILE 160 Cb 2.06 2.58 -0.02 0.00 -1.09 0.00 0.00 36.82 40.35 1iie h ILE 160 CO -0.11 0.69 -0.81 0.44 -1.08 0.00 0.00 178.15 177.29 1iie h ASP 161 N 0.00 0.00 0.21 2.19 3.32 0.12 -0.88 116.42 121.38 1iie h ASP 161 Ca -0.05 -0.00 -0.21 0.00 0.02 0.00 0.00 57.03 56.79 1iie h ASP 161 Cb 1.64 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.19 1iie h ASP 161 CO 0.09 0.81 -0.81 -0.25 -1.72 0.00 0.00 179.24 177.36 1iie h TRP 162 N 0.00 0.67 -0.33 4.55 2.91 0.18 0.87 115.95 124.79 1iie h TRP 162 Ca -0.01 -0.32 0.03 0.00 1.13 0.00 0.00 58.89 59.72 1iie h TRP 162 Cb 1.43 -0.09 -0.03 0.00 -0.51 0.00 0.00 29.16 29.95 1iie h TRP 162 CO 0.00 1.11 0.14 0.87 -1.03 0.00 0.00 178.44 179.53 1iie h LYS 163 N 0.31 0.29 -0.34 2.65 1.79 0.12 0.82 116.57 122.20 1iie h LYS 163 Ca -0.05 -0.02 -0.13 0.00 -2.18 0.00 0.00 60.65 58.27 1iie h LYS 163 Cb 1.42 -0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 32.00 1iie h LYS 163 CO 0.15 0.19 -0.30 0.28 -1.08 0.00 0.00 179.45 178.69 1iie h VAL 164 N 0.30 1.29 -0.66 0.50 2.07 -1.03 -1.15 116.25 117.57 1iie h VAL 164 Ca 0.14 -1.46 -0.03 0.00 0.82 0.00 0.00 66.70 66.17 1iie h VAL 164 Cb 0.09 1.46 -0.03 0.00 -1.52 0.00 0.00 31.29 31.29 1iie h VAL 164 CO -0.13 0.48 0.30 0.15 0.02 0.00 0.00 177.57 178.39 1iie h PHE 165 N 0.58 0.96 -0.27 1.57 3.57 0.16 0.65 116.94 124.16 1iie h PHE 165 Ca 0.06 -0.06 -0.00 0.00 3.53 0.00 0.00 57.97 61.50 1iie h PHE 165 Cb 0.87 -0.29 -0.01 0.00 2.79 0.00 0.00 35.95 39.30 1iie h PHE 165 CO 0.07 0.73 0.16 0.93 -2.23 0.00 0.00 178.31 177.97 1iie h GLU 166 N 0.91 0.38 -0.11 1.11 4.39 0.76 0.72 114.58 122.73 1iie h GLU 166 Ca 0.22 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.87 1iie h GLU 166 Cb 0.15 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.72 1iie h GLU 166 CO -0.02 0.31 0.01 0.77 -1.16 0.00 0.00 179.01 178.91 1iie h SER 167 N 0.34 0.14 -0.36 1.42 0.02 -0.57 0.79 113.55 115.33 1iie h SER 167 Ca 0.10 -0.01 -0.16 0.00 -0.84 0.00 0.00 61.79 60.88 1iie h SER 167 Cb 0.03 -0.03 -0.00 0.00 0.14 0.00 0.00 62.40 62.53 1iie h SER 167 CO -0.02 0.16 -0.41 -0.25 -1.14 0.00 0.00 176.83 175.17 1iie h TRP 168 N 0.16 1.10 -0.24 3.45 7.01 0.27 0.43 115.95 128.12 1iie h TRP 168 Ca 0.04 -0.34 -0.16 0.00 2.11 0.00 0.00 58.89 60.54 1iie h TRP 168 Cb 0.09 -0.23 -0.01 0.00 -2.10 0.00 0.00 29.16 26.92 1iie h TRP 168 CO 0.00 1.17 -0.50 0.52 -2.79 0.00 0.00 178.44 176.84 1iie h MET 169 N 0.72 0.67 -0.13 2.65 2.86 0.19 0.55 114.93 122.44 1iie h MET 169 Ca 0.05 -0.40 -0.01 0.00 -2.06 0.00 0.00 59.70 57.28 1iie h MET 169 Cb 1.01 0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.70 1iie h MET 169 CO 0.10 1.01 0.03 1.25 1.06 0.00 0.00 176.91 180.36 1iie h HIS 170 N 0.53 0.23 -0.31 -0.22 -0.00 0.77 1.02 115.15 117.16 1iie h HIS 170 Ca 0.02 -0.03 -0.03 0.00 -0.00 0.00 0.00 60.37 60.33 1iie h HIS 170 Cb 1.05 -0.06 -0.01 0.00 -0.00 0.00 0.00 27.41 28.39 1iie h HIS 170 CO 0.05 0.39 0.07 0.45 -0.00 0.00 0.00 177.93 178.89 1iie h HIS 171 N 0.00 0.52 -0.97 5.26 -0.00 -0.02 0.34 115.15 120.27 1iie h HIS 171 Ca 0.04 -0.06 0.15 0.00 -0.00 0.00 0.00 60.37 60.50 1iie h HIS 171 Cb 0.28 -0.15 -0.09 0.00 -0.00 0.00 0.00 27.41 27.45 1iie h HIS 171 CO 0.01 0.56 0.59 2.35 -0.00 0.00 0.00 177.93 181.44 1iie h TRP 172 N 0.34 1.05 0.51 2.45 7.01 0.38 -0.21 115.95 127.47 1iie h TRP 172 Ca 0.10 0.03 -0.02 0.00 2.11 0.00 0.00 58.89 61.10 1iie h TRP 172 Cb 0.30 -0.32 0.00 0.00 -2.10 0.00 0.00 29.16 27.05 1iie h TRP 172 CO 0.02 0.32 -0.24 1.25 -2.79 0.00 0.00 178.44 176.99 1iie h LEU 173 N 0.84 -0.58 -0.17 0.65 5.85 0.25 -2.45 115.31 119.69 1iie h LEU 173 Ca 0.52 -0.05 0.03 0.00 0.84 0.00 0.00 57.88 59.22 1iie h LEU 173 Cb 0.67 0.15 -0.05 0.00 0.37 0.00 0.00 40.66 41.80 1iie h LEU 173 CO -0.33 -0.18 -0.41 -0.07 -0.34 0.00 0.00 178.44 177.11 1iie h LEU 174 N -1.08 -1.32 -0.31 2.25 3.38 0.08 0.13 115.31 118.43 1iie h LEU 174 Ca -0.07 0.16 0.03 0.00 0.09 0.00 0.00 57.88 58.09 1iie h LEU 174 Cb 0.59 0.52 -0.04 0.00 0.09 0.00 0.00 40.66 41.83 1iie h LEU 174 CO 0.11 -0.34 -0.18 0.33 0.09 0.00 0.00 178.44 178.45 1iie n PHE 175 N -4.69 -0.14 -0.21 1.13 -0.00 -0.13 0.15 117.46 113.57 1iie n PHE 175 Ca -0.04 0.39 0.16 0.00 -0.00 0.00 0.00 57.45 57.96 1iie n PHE 175 Cb 0.27 -0.51 0.49 0.00 -0.00 0.00 0.00 39.48 39.73 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 0.44 0.31 -4.13 5.08 -1.07 0.43 114.58 115.64 1iie h GLU 176 Ca 0.05 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.37 1iie h GLU 176 Cb 0.13 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.28 1iie h GLU 176 CO -0.29 0.29 -0.15 1.98 -1.00 0.00 0.00 179.01 179.84 1iie h MET 177 N 0.45 -0.40 -0.90 2.33 4.05 0.28 -0.51 114.93 120.24 1iie h MET 177 Ca 0.42 0.03 0.19 0.00 -0.28 0.00 0.00 59.70 60.05 1iie h MET 177 Cb 0.95 0.09 -0.11 0.00 -0.80 0.00 0.00 31.60 31.74 1iie h MET 177 CO -0.15 -0.16 0.45 0.66 0.23 0.00 0.00 176.91 177.94 1iie h SER 178 N -1.05 0.50 -0.28 1.39 4.64 0.19 0.69 113.55 119.62 1iie h SER 178 Ca -0.04 0.12 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 1iie h SER 178 Cb 0.43 0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.57 1iie h SER 178 CO 0.07 0.14 0.00 -2.11 -0.87 0.00 0.00 176.83 174.06 1iie n ARG 179 N -4.92 2.07 -0.21 4.77 -4.01 0.14 -3.96 116.66 110.55 1iie n ARG 179 Ca 0.20 -1.18 0.04 0.00 -1.04 0.00 0.00 57.85 55.88 1iie n ARG 179 Cb 0.55 -1.47 0.14 0.00 -3.04 0.00 0.00 32.46 28.64 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 0.34 0.53 0.30 2.89 -0.00 0.24 -4.07 115.22 115.45 1iie n HIS 180 Ca 0.11 -0.23 0.19 0.00 0.46 0.00 0.00 57.72 58.25 1iie n HIS 180 Cb 0.41 -0.07 0.92 0.00 -0.12 0.00 0.00 29.99 31.13 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 1.72 0.00 0.11 0.26 4.64 -1.73 -2.77 113.55 115.78 1iie h SER 181 Ca 0.00 0.00 -0.37 0.00 -0.47 0.00 0.00 61.79 60.95 1iie h SER 181 Cb 0.60 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.66 1iie h SER 181 CO 0.06 0.00 -2.09 0.18 -0.87 0.00 0.00 176.83 174.11 1iie n LEU 182 N -2.93 2.66 -3.43 5.97 4.77 -1.26 -4.40 117.00 118.38 1iie n LEU 182 Ca -0.01 0.15 -0.40 0.00 -0.03 0.00 0.00 56.01 55.72 1iie n LEU 182 Cb 0.16 -1.05 -0.02 0.00 -2.33 0.00 0.00 43.42 40.18 1iie n LEU 182 CO 0.21 0.86 2.91 -0.62 -1.33 0.00 0.00 177.39 179.43 1iie n GLU 183 N -3.43 4.00 -3.66 3.23 1.02 -1.05 -4.84 120.64 115.91 1iie n GLU 183 Ca -0.34 -2.78 -0.14 0.00 -0.02 0.00 0.00 57.16 53.88 1iie n GLU 183 Cb 1.04 -2.77 -0.08 0.00 -0.02 0.00 0.00 31.44 29.61 1iie n GLU 183 CO 0.00 0.00 0.00 -1.14 1.18 0.00 0.00 177.13 177.17 1iie s GLN 184 N 0.86 0.74 0.27 3.49 0.74 -1.25 -5.00 119.66 119.51 1iie s GLN 184 Ca 0.61 0.87 -0.22 0.00 0.05 0.00 0.00 55.36 56.67 1iie s GLN 184 Cb 0.18 0.36 -0.09 0.00 1.10 0.00 0.00 33.01 34.55 1iie s GLN 184 CO -0.07 -0.09 0.82 0.15 -0.55 0.00 0.00 175.29 175.55 1iie s LYS 185 N 0.33 4.39 0.27 1.67 1.02 -1.26 -5.02 119.74 121.14 1iie s LYS 185 Ca -0.00 1.07 -0.29 0.00 0.02 0.00 0.00 55.97 56.76 1iie s LYS 185 Cb -0.04 -2.82 -0.09 0.00 -0.52 0.00 0.00 37.83 34.35 1iie s LYS 185 CO 0.01 0.33 1.17 -1.25 -0.92 0.00 0.00 175.35 174.68 1iie s PRO 186 N -2.06 4.55 -0.38 -1.68 0.04 -1.26 -4.95 135.00 129.26 1iie s PRO 186 Ca 0.47 1.91 0.11 0.00 0.04 0.00 0.00 61.00 63.53 1iie s PRO 186 Cb -0.17 -3.17 0.40 0.00 0.04 0.00 0.00 34.50 31.60 1iie s PRO 186 CO 0.22 0.07 1.40 -2.37 0.04 0.00 0.00 177.00 176.36 1iie n THR 187 N 1.34 0.05 -4.37 1.26 5.66 -1.26 -5.14 114.28 111.81 1iie n THR 187 Ca 0.00 -1.42 -0.24 0.00 -3.05 0.00 0.00 64.05 59.35 1iie n THR 187 Cb 0.44 0.99 -0.09 0.00 -1.55 0.00 0.00 70.33 70.13 1iie n THR 187 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 175.07 170.21 1iie s ASP 188 N -1.27 4.10 0.06 1.09 1.11 -1.26 -5.14 116.67 115.36 1iie s ASP 188 Ca 0.18 -0.81 -0.27 0.00 0.18 0.00 0.00 52.55 51.84 1iie s ASP 188 Cb 0.42 -0.59 0.07 0.00 1.07 0.00 0.00 42.92 43.88 1iie s ASP 188 CO -0.10 0.02 0.65 0.00 1.18 0.00 0.00 175.17 176.93 1iie s ALA 189 N -2.37 -1.68 -0.25 5.23 0.00 -1.26 -5.12 121.76 116.31 1iie s ALA 189 Ca 0.30 0.86 -0.29 0.00 0.00 0.00 0.00 51.96 52.83 1iie s ALA 189 Cb -0.06 0.49 -0.01 0.00 0.00 0.00 0.00 23.12 23.54 1iie s ALA 189 CO 0.17 -0.60 1.32 -1.25 0.00 0.00 0.00 175.76 175.41 1iie s PRO 190 N -2.66 4.00 0.71 0.00 0.04 -1.26 -5.01 135.00 130.83 1iie s PRO 190 Ca -0.04 1.42 -0.12 0.00 0.04 0.00 0.00 61.00 62.30 1iie s PRO 190 Cb -0.01 -3.86 0.02 0.00 0.04 0.00 0.00 34.50 30.70 1iie s PRO 190 CO -0.03 -1.01 1.08 -1.25 0.04 0.00 0.00 177.00 175.82 1iie s PRO 191 N 4.01 2.70 0.00 0.56 0.04 -1.26 -5.37 135.00 135.69 1iie s PRO 191 Ca 0.57 1.10 0.00 0.00 0.04 0.00 0.00 61.00 62.71 1iie s PRO 191 Cb -0.19 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 32.39 1iie s PRO 191 CO 0.21 -1.29 0.00 1.63 0.04 0.00 0.00 177.00 177.59