#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 2.48 1.64 2.72 0.00 -1.26 -5.17 105.19 105.60 1iie n GLY 119 Ca 0.00 -1.15 0.00 0.00 0.00 0.00 0.00 46.02 44.87 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 0.00 -0.61 0.24 1.61 5.15 -1.26 -5.00 115.26 115.40 1iie n ASN 120 Ca 0.00 -1.23 0.11 0.00 -0.60 0.00 0.00 54.58 52.86 1iie n ASN 120 Cb 0.00 0.96 0.60 0.00 -0.53 0.00 0.00 39.78 40.81 1iie n ASN 120 CO 0.00 0.00 0.00 0.24 1.40 0.00 0.00 177.26 178.90 1iie h MET 121 N 0.00 0.00 -1.17 1.20 2.86 -2.02 -3.02 114.93 112.78 1iie h MET 121 Ca -0.10 0.00 0.34 0.00 -2.06 0.00 0.00 59.70 57.88 1iie h MET 121 Cb 0.50 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 32.11 1iie h MET 121 CO 0.14 0.18 0.94 1.15 1.06 0.00 0.00 176.91 180.38 1iie h THR 122 N 0.00 0.27 -0.38 2.22 2.02 -1.97 0.53 112.91 115.59 1iie h THR 122 Ca -0.00 0.00 -0.13 0.00 0.77 0.00 0.00 66.41 67.05 1iie h THR 122 Cb 0.53 0.31 -0.01 0.00 -1.74 0.00 0.00 68.15 67.25 1iie h THR 122 CO 0.02 0.00 -0.28 -0.33 0.37 0.00 0.00 175.52 175.30 1iie h GLU 123 N 0.00 0.80 0.00 6.66 5.08 -1.94 1.24 114.58 126.42 1iie h GLU 123 Ca 0.55 -0.36 -0.11 0.00 -1.00 0.00 0.00 59.36 58.45 1iie h GLU 123 Cb 2.43 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 31.65 1iie h GLU 123 CO -0.01 0.98 -0.51 -0.44 -1.00 0.00 0.00 179.01 178.04 1iie h ASP 124 N 0.68 0.00 1.05 1.42 3.32 -0.19 1.28 116.42 123.98 1iie h ASP 124 Ca 0.08 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 57.02 1iie h ASP 124 Cb 0.82 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.35 1iie h ASP 124 CO 0.07 0.51 -1.01 -0.74 -1.72 0.00 0.00 179.24 176.35 1iie h HIS 125 N 0.00 0.00 0.08 4.55 2.76 -0.96 -2.24 115.15 119.34 1iie h HIS 125 Ca -0.01 0.00 -0.32 0.00 -2.20 0.00 0.00 60.37 57.84 1iie h HIS 125 Cb 1.07 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 30.00 1iie h HIS 125 CO 0.00 0.44 -1.76 0.28 -1.30 0.00 0.00 177.93 175.59 1iie h VAL 126 N 0.00 0.86 -0.51 5.26 2.07 0.18 -2.84 116.25 121.27 1iie h VAL 126 Ca -0.08 -2.60 -0.06 0.00 0.82 0.00 0.00 66.70 64.78 1iie h VAL 126 Cb 1.41 2.56 -0.02 0.00 -1.52 0.00 0.00 31.29 33.71 1iie h VAL 126 CO 0.04 0.74 0.08 -0.03 0.02 0.00 0.00 177.57 178.43 1iie h MET 127 N 0.05 0.85 -0.58 1.57 -1.53 0.16 -1.05 114.93 114.40 1iie h MET 127 Ca -0.32 -0.23 -0.08 0.00 -3.44 0.00 0.00 59.70 55.63 1iie h MET 127 Cb 2.02 -0.10 -0.02 0.00 -0.55 0.00 0.00 31.60 32.95 1iie h MET 127 CO 0.11 0.84 0.04 0.45 0.14 0.00 0.00 176.91 178.48 1iie h HIS 128 N 0.72 1.03 0.00 1.39 3.86 -1.51 0.96 115.15 121.61 1iie h HIS 128 Ca 0.15 -0.15 -0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1iie h HIS 128 Cb 0.40 -0.28 -0.00 0.00 1.06 0.00 0.00 27.41 28.59 1iie h HIS 128 CO 0.03 0.90 -0.02 -0.07 0.86 0.00 0.00 177.93 179.63 1iie h LEU 129 N 0.90 0.00 0.00 2.43 -0.00 -1.15 -1.53 115.31 115.96 1iie h LEU 129 Ca 0.17 0.00 -0.13 0.00 -0.00 0.00 0.00 57.88 57.93 1iie h LEU 129 Cb 0.47 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.10 1iie h LEU 129 CO 0.02 0.02 -2.07 0.18 -0.00 0.00 0.00 178.44 176.58 1iie n LEU 130 N -3.21 0.06 0.00 1.67 4.77 -0.21 -3.46 117.00 116.62 1iie n LEU 130 Ca -0.02 0.02 0.15 0.00 -0.03 0.00 0.00 56.01 56.14 1iie n LEU 130 Cb 0.16 0.16 0.77 0.00 -2.33 0.00 0.00 43.42 42.18 1iie n LEU 130 CO 0.24 0.16 1.03 0.00 -1.33 0.00 0.00 177.39 177.49 1iie n GLN 131 N -2.45 0.45 -0.03 3.23 6.02 0.32 -2.98 117.38 121.93 1iie n GLN 131 Ca -0.13 0.00 -0.03 0.00 -0.01 0.00 0.00 57.00 56.82 1iie n GLN 131 Cb 0.77 -1.50 -0.05 0.00 1.02 0.00 0.00 30.24 30.48 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 -1.27 3.52 0.15 1.08 4.13 -0.86 -4.56 115.26 117.45 1iie n ASN 132 Ca 0.15 -0.00 0.01 0.00 1.68 0.00 0.00 54.58 56.41 1iie n ASN 132 Cb 0.24 0.59 0.23 0.00 -1.54 0.00 0.00 39.78 39.30 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 0.27 1.02 -3.27 5.41 0.00 -1.62 -3.43 119.26 117.64 1iie h ALA 133 Ca -0.16 -0.48 -0.25 0.00 0.00 0.00 0.00 54.91 54.01 1iie h ALA 133 Cb 1.36 -0.09 -0.32 0.00 0.00 0.00 0.00 17.79 18.74 1iie h ALA 133 CO 0.01 0.67 -0.61 -0.51 0.00 0.00 0.00 179.25 178.80 1iie s ASP 134 N -6.75 -0.04 0.00 0.00 1.01 -1.16 -5.00 116.67 104.74 1iie s ASP 134 Ca -0.01 0.27 0.24 0.00 0.71 0.00 0.00 52.55 53.76 1iie s ASP 134 Cb 0.12 0.16 1.36 0.00 1.01 0.00 0.00 42.92 45.58 1iie s ASP 134 CO 0.74 -0.15 1.81 -0.81 0.21 0.00 0.00 175.17 176.96 1iie n PRO 135 N 4.28 0.61 -0.31 8.23 -0.04 -1.26 -2.88 135.00 143.62 1iie n PRO 135 Ca -0.25 0.02 0.07 0.00 -0.04 0.00 0.00 63.50 63.30 1iie n PRO 135 Cb 0.51 -1.50 0.21 0.00 -0.04 0.00 0.00 33.50 32.68 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 -1.11 3.40 -4.70 1.53 4.77 -1.26 -4.98 117.00 114.66 1iie n LEU 136 Ca 0.16 -2.54 -0.40 0.00 -0.03 0.00 0.00 56.01 53.20 1iie n LEU 136 Cb 0.12 -0.39 -0.04 0.00 -2.33 0.00 0.00 43.42 40.78 1iie n LEU 136 CO 0.15 0.70 0.49 -0.54 -1.33 0.00 0.00 177.39 176.86 1iie s LYS 137 N -1.96 4.39 0.04 3.23 -0.14 -1.14 -5.04 119.74 119.11 1iie s LYS 137 Ca 0.33 0.95 0.01 0.00 -1.36 0.00 0.00 55.97 55.90 1iie s LYS 137 Cb 0.23 -3.50 -0.02 0.00 -1.68 0.00 0.00 37.83 32.86 1iie s LYS 137 CO 0.12 -0.09 -0.05 0.08 -0.76 0.00 0.00 175.35 174.65 1iie s VAL 138 N 1.31 0.35 -0.43 3.17 1.01 -1.26 -4.84 120.40 119.70 1iie s VAL 138 Ca 0.38 -1.09 0.03 0.00 0.00 0.00 0.00 61.98 61.30 1iie s VAL 138 Cb -0.18 -0.56 0.16 0.00 0.00 0.00 0.00 36.38 35.80 1iie s VAL 138 CO 0.17 -0.49 0.31 -0.31 0.00 0.00 0.00 175.10 174.77 1iie s TYR 139 N -1.66 1.39 0.73 5.22 1.51 -1.26 -5.10 117.35 118.19 1iie s TYR 139 Ca -0.11 -2.26 -0.16 0.00 -1.01 0.00 0.00 57.07 53.54 1iie s TYR 139 Cb -0.08 -1.26 0.01 0.00 -0.11 0.00 0.00 41.96 40.52 1iie s TYR 139 CO -0.01 -0.79 0.99 -0.35 -1.11 0.00 0.00 175.55 174.28 1iie n PRO 140 N 3.19 0.48 -1.95 -1.71 -0.04 -1.26 -4.81 135.00 128.90 1iie n PRO 140 Ca 0.21 0.22 -0.37 0.00 -0.04 0.00 0.00 63.50 63.51 1iie n PRO 140 Cb 0.41 -2.25 -0.03 0.00 -0.04 0.00 0.00 33.50 31.60 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 -3.42 2.51 -0.70 0.54 0.04 -1.26 -4.91 135.00 127.80 1iie s PRO 141 Ca 0.73 0.72 -0.21 0.00 0.04 0.00 0.00 61.00 62.29 1iie s PRO 141 Cb -0.34 -4.45 0.09 0.00 0.04 0.00 0.00 34.50 29.84 1iie s PRO 141 CO 0.50 -2.87 0.96 -0.51 0.04 0.00 0.00 177.00 175.12 1iie s LEU 142 N 9.75 4.68 -0.00 -3.56 1.43 -1.26 -4.77 118.68 124.95 1iie s LEU 142 Ca 0.73 -1.28 0.06 0.00 -1.03 0.00 0.00 54.13 52.62 1iie s LEU 142 Cb -0.13 -2.40 -0.08 0.00 0.03 0.00 0.00 46.19 43.61 1iie s LEU 142 CO 0.21 -1.31 0.22 0.29 0.23 0.00 0.00 176.35 175.98 1iie n LYS 143 N 7.25 3.17 0.00 1.70 4.76 -1.26 -4.78 118.16 129.00 1iie n LYS 143 Ca 0.01 -0.02 0.00 0.00 -2.87 0.00 0.00 58.31 55.43 1iie n LYS 143 Cb 0.46 -0.93 0.00 0.00 -1.84 0.00 0.00 35.03 32.72 1iie n LYS 143 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1iie n GLY 144 N 1.51 -3.11 3.74 0.72 0.00 -1.26 -4.96 105.19 101.84 1iie n GLY 144 Ca 0.00 0.28 -0.04 0.00 0.00 0.00 0.00 46.02 46.26 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 -2.38 -0.21 0.34 1.61 0.01 -1.26 -4.94 113.70 106.87 1iie s SER 145 Ca 0.00 -0.39 0.02 0.00 1.31 0.00 0.00 55.95 56.89 1iie s SER 145 Cb 0.00 0.51 0.60 0.00 0.21 0.00 0.00 66.02 67.34 1iie s SER 145 CO 0.00 -0.93 1.96 0.15 0.41 0.00 0.00 173.24 174.83 1iie h PHE 146 N 2.00 0.76 0.00 2.43 3.57 -1.93 2.59 116.94 126.36 1iie h PHE 146 Ca -0.23 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.26 1iie h PHE 146 Cb 1.23 -0.25 0.00 0.00 2.79 0.00 0.00 35.95 39.73 1iie h PHE 146 CO 0.38 0.54 0.00 -1.00 -2.23 0.00 0.00 178.31 176.00 1iie h PRO 147 N 0.79 0.00 0.11 6.41 0.13 -1.98 -0.61 132.00 136.84 1iie h PRO 147 Ca 0.20 0.00 -0.36 0.00 -0.87 0.00 0.00 66.00 64.97 1iie h PRO 147 Cb 0.03 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.14 1iie h PRO 147 CO -0.03 0.00 -2.03 0.39 -0.23 0.00 0.00 178.00 176.10 1iie n GLU 148 N -2.88 0.74 0.16 0.86 1.02 -0.44 -2.61 120.64 117.50 1iie n GLU 148 Ca 0.04 0.26 0.06 0.00 -0.02 0.00 0.00 57.16 57.49 1iie n GLU 148 Cb 0.46 -1.69 0.52 0.00 -0.02 0.00 0.00 31.44 30.72 1iie n GLU 148 CO 0.00 0.00 0.00 -0.91 1.18 0.00 0.00 177.13 177.40 1iie h ASN 149 N 0.01 0.16 0.01 1.62 -0.26 0.45 1.28 115.58 118.86 1iie h ASN 149 Ca -0.44 -0.01 -0.02 0.00 -0.56 0.00 0.00 56.30 55.27 1iie h ASN 149 Cb 1.99 -0.04 0.00 0.00 -1.06 0.00 0.00 38.32 39.21 1iie h ASN 149 CO 0.05 0.18 -0.09 -0.07 -1.06 0.00 0.00 177.43 176.45 1iie h LEU 150 N 0.18 0.06 -1.78 1.61 3.38 -1.20 -1.44 115.31 116.12 1iie h LEU 150 Ca 0.05 -0.93 -0.02 0.00 0.09 0.00 0.00 57.88 57.06 1iie h LEU 150 Cb 0.10 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 40.83 1iie h LEU 150 CO -0.00 0.98 -0.11 0.03 0.09 0.00 0.00 178.44 179.43 1iie h ARG 151 N -0.86 0.00 0.10 1.13 2.47 -1.22 0.12 114.38 116.12 1iie h ARG 151 Ca -0.01 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.70 1iie h ARG 151 Cb 1.01 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.33 1iie h ARG 151 CO 0.02 0.11 -0.05 1.25 0.56 0.00 0.00 179.97 181.86 1iie h HIS 152 N 0.00 -0.13 -0.88 3.04 2.76 0.16 1.23 115.15 121.34 1iie h HIS 152 Ca -0.00 -0.00 0.13 0.00 -2.20 0.00 0.00 60.37 58.30 1iie h HIS 152 Cb 0.42 0.04 -0.07 0.00 1.55 0.00 0.00 27.41 29.35 1iie h HIS 152 CO 0.00 0.39 0.57 -0.07 -1.30 0.00 0.00 177.93 177.51 1iie h LEU 153 N -0.79 0.66 0.22 0.26 3.38 -0.81 1.95 115.31 120.19 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 0.57 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.23 1iie h LEU 153 CO 0.02 0.35 -0.11 0.50 0.09 0.00 0.00 178.44 179.29 1iie h LYS 154 N 0.70 -0.29 0.00 1.13 3.11 -0.60 1.20 116.57 121.83 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 0.67 0.07 0.00 0.00 -1.00 0.00 0.00 32.23 31.96 1iie h LYS 154 CO -0.19 0.09 0.00 -1.71 -2.81 0.00 0.00 179.45 174.83 1iie n ASN 155 N -5.00 0.00 0.01 4.20 5.15 0.42 -4.11 115.26 115.93 1iie n ASN 155 Ca -0.08 0.44 -0.02 0.00 -0.60 0.00 0.00 54.58 54.31 1iie n ASN 155 Cb 0.26 -0.47 -0.01 0.00 -0.53 0.00 0.00 39.78 39.03 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 -1.47 1.13 -0.24 -0.44 -1.04 0.66 -5.01 114.28 107.87 1iie n THR 156 Ca 0.05 0.31 -0.31 0.00 -2.04 0.00 0.00 64.05 62.06 1iie n THR 156 Cb 0.20 -1.71 0.30 0.00 -1.82 0.00 0.00 70.33 67.29 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 -3.59 -4.77 -1.98 -2.82 0.00 0.41 -4.84 117.12 99.53 1iie n MET 157 Ca -0.03 -1.41 -0.42 0.00 0.00 0.00 0.00 57.70 55.83 1iie n MET 157 Cb 0.12 -1.94 -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 -5.03 4.22 0.50 3.17 2.02 -1.26 -4.78 118.70 117.54 1iie s GLU 158 Ca 0.68 2.28 0.31 0.00 0.02 0.00 0.00 54.97 58.26 1iie s GLU 158 Cb -0.13 -3.48 1.42 0.00 0.10 0.00 0.00 34.13 32.04 1iie s GLU 158 CO 0.57 -0.67 1.80 1.15 0.02 0.00 0.00 175.26 178.13 1iie h THR 159 N 4.62 0.44 0.00 3.63 2.02 -1.88 1.77 112.91 123.50 1iie h THR 159 Ca -0.42 -0.04 -0.17 0.00 0.77 0.00 0.00 66.41 66.56 1iie h THR 159 Cb 1.20 0.32 -0.02 0.00 -1.74 0.00 0.00 68.15 67.91 1iie h THR 159 CO 0.92 0.02 -0.88 -0.29 0.37 0.00 0.00 175.52 175.66 1iie h ILE 160 N 0.11 1.17 0.00 3.11 6.09 -1.95 0.98 117.51 127.02 1iie h ILE 160 Ca 0.57 -2.72 -0.17 0.00 -1.37 0.00 0.00 64.86 61.17 1iie h ILE 160 Cb 2.02 2.56 -0.02 0.00 0.47 0.00 0.00 36.82 41.85 1iie h ILE 160 CO -0.10 0.67 -0.81 -0.78 -3.07 0.00 0.00 178.15 174.06 1iie h ASP 161 N 0.00 0.00 0.18 2.19 1.82 0.11 -1.43 116.42 119.29 1iie h ASP 161 Ca -0.04 0.00 -0.20 0.00 -0.39 0.00 0.00 57.03 56.40 1iie h ASP 161 Cb 1.60 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.62 1iie h ASP 161 CO 0.09 0.81 -0.79 -0.25 -1.61 0.00 0.00 179.24 177.50 1iie h TRP 162 N 0.00 0.68 -0.31 0.28 2.91 0.24 0.85 115.95 120.61 1iie h TRP 162 Ca -0.01 -0.32 0.03 0.00 1.13 0.00 0.00 58.89 59.73 1iie h TRP 162 Cb 1.52 -0.10 -0.03 0.00 -0.51 0.00 0.00 29.16 30.04 1iie h TRP 162 CO 0.00 1.10 0.11 0.87 -1.03 0.00 0.00 178.44 179.49 1iie h LYS 163 N 0.33 0.24 -0.38 2.65 1.79 0.14 0.92 116.57 122.25 1iie h LYS 163 Ca -0.05 -0.01 -0.15 0.00 -2.18 0.00 0.00 60.65 58.26 1iie h LYS 163 Cb 1.39 -0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 31.97 1iie h LYS 163 CO 0.14 0.16 -0.36 0.28 -1.08 0.00 0.00 179.45 178.59 1iie h VAL 164 N 0.24 1.28 -0.58 0.50 2.07 -1.10 -0.57 116.25 118.09 1iie h VAL 164 Ca 0.14 -1.53 -0.09 0.00 0.82 0.00 0.00 66.70 66.04 1iie h VAL 164 Cb 0.10 1.37 -0.02 0.00 -1.52 0.00 0.00 31.29 31.22 1iie h VAL 164 CO -0.14 0.51 0.03 0.15 0.02 0.00 0.00 177.57 178.14 1iie h PHE 165 N 0.73 1.09 -0.31 1.57 3.57 0.17 0.81 116.94 124.56 1iie h PHE 165 Ca 0.07 -0.18 -0.02 0.00 3.53 0.00 0.00 57.97 61.37 1iie h PHE 165 Cb 0.94 -0.29 -0.01 0.00 2.79 0.00 0.00 35.95 39.37 1iie h PHE 165 CO 0.06 0.96 0.10 0.93 -2.23 0.00 0.00 178.31 178.14 1iie h GLU 166 N 0.90 0.48 -0.16 1.11 4.39 0.97 0.94 114.58 123.21 1iie h GLU 166 Ca 0.17 -0.10 -0.03 0.00 0.34 0.00 0.00 59.36 59.74 1iie h GLU 166 Cb 0.51 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.08 1iie h GLU 166 CO 0.02 0.52 -0.01 1.03 -1.16 0.00 0.00 179.01 179.41 1iie h SER 167 N 0.35 0.22 -0.35 1.42 0.87 -0.73 0.83 113.55 116.16 1iie h SER 167 Ca 0.10 -0.03 -0.16 0.00 -1.23 0.00 0.00 61.79 60.48 1iie h SER 167 Cb 0.23 -0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 62.13 1iie h SER 167 CO -0.00 0.27 -0.40 -0.25 -0.53 0.00 0.00 176.83 175.92 1iie h TRP 168 N 0.23 1.10 -0.24 2.24 7.01 0.23 0.37 115.95 126.88 1iie h TRP 168 Ca 0.06 -0.33 -0.15 0.00 2.11 0.00 0.00 58.89 60.57 1iie h TRP 168 Cb 0.19 -0.23 -0.01 0.00 -2.10 0.00 0.00 29.16 27.01 1iie h TRP 168 CO 0.00 1.16 -0.46 0.52 -2.79 0.00 0.00 178.44 176.87 1iie h MET 169 N 0.74 0.63 -0.11 2.65 2.86 0.24 0.49 114.93 122.42 1iie h MET 169 Ca 0.06 -0.35 -0.01 0.00 -2.06 0.00 0.00 59.70 57.33 1iie h MET 169 Cb 0.99 0.02 -0.00 0.00 0.06 0.00 0.00 31.60 32.67 1iie h MET 169 CO 0.10 0.95 0.01 1.25 1.06 0.00 0.00 176.91 180.28 1iie h HIS 170 N 0.50 0.20 -0.24 -0.22 -0.00 0.91 0.76 115.15 117.07 1iie h HIS 170 Ca 0.03 -0.03 -0.01 0.00 -0.00 0.00 0.00 60.37 60.36 1iie h HIS 170 Cb 0.99 -0.05 -0.01 0.00 -0.00 0.00 0.00 27.41 28.34 1iie h HIS 170 CO 0.04 0.40 0.10 0.45 -0.00 0.00 0.00 177.93 178.93 1iie h HIS 171 N -0.06 0.35 -0.91 5.26 -0.00 -0.12 0.36 115.15 120.03 1iie h HIS 171 Ca 0.03 -0.02 0.14 0.00 -0.00 0.00 0.00 60.37 60.52 1iie h HIS 171 Cb 0.31 -0.11 -0.09 0.00 -0.00 0.00 0.00 27.41 27.52 1iie h HIS 171 CO 0.02 0.36 0.52 2.35 -0.00 0.00 0.00 177.93 181.18 1iie h TRP 172 N 0.24 0.92 0.42 2.45 7.01 0.20 -0.37 115.95 126.82 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 0.15 -0.27 0.00 0.00 -2.10 0.00 0.00 29.16 26.94 1iie h TRP 172 CO -0.02 0.27 -0.20 1.25 -2.79 0.00 0.00 178.44 176.95 1iie h LEU 173 N 0.75 -0.48 -0.02 0.65 5.85 0.20 -2.26 115.31 120.00 1iie h LEU 173 Ca 0.49 -0.11 0.01 0.00 0.84 0.00 0.00 57.88 59.11 1iie h LEU 173 Cb 0.63 0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.76 1iie h LEU 173 CO -0.33 -0.12 -0.29 -0.07 -0.34 0.00 0.00 178.44 177.29 1iie h LEU 174 N -0.89 -0.89 -0.61 2.25 3.38 0.22 0.21 115.31 118.98 1iie h LEU 174 Ca -0.06 0.10 0.05 0.00 0.09 0.00 0.00 57.88 58.07 1iie h LEU 174 Cb 0.56 0.34 -0.07 0.00 0.09 0.00 0.00 40.66 41.58 1iie h LEU 174 CO 0.10 -0.27 -0.36 0.33 0.09 0.00 0.00 178.44 178.33 1iie n PHE 175 N -4.07 -0.27 -0.10 1.13 -0.00 -0.20 0.18 117.46 114.12 1iie n PHE 175 Ca -0.04 0.76 0.08 0.00 -0.00 0.00 0.00 57.45 58.25 1iie n PHE 175 Cb 0.21 -0.53 0.43 0.00 -0.00 0.00 0.00 39.48 39.59 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 0.56 0.29 -4.13 3.07 -1.04 0.98 114.58 114.31 1iie h GLU 176 Ca 0.10 -0.03 -0.01 0.00 -0.50 0.00 0.00 59.36 58.91 1iie h GLU 176 Cb 0.25 -0.13 0.00 0.00 -0.84 0.00 0.00 28.75 28.04 1iie h GLU 176 CO -0.57 0.37 -0.14 1.98 -1.40 0.00 0.00 179.01 179.25 1iie h MET 177 N 0.57 -0.38 -0.86 2.33 4.05 0.40 -0.27 114.93 120.77 1iie h MET 177 Ca 0.26 0.03 0.18 0.00 -0.28 0.00 0.00 59.70 59.89 1iie h MET 177 Cb 0.31 0.09 -0.11 0.00 -0.80 0.00 0.00 31.60 31.09 1iie h MET 177 CO -0.08 -0.19 0.41 0.66 0.23 0.00 0.00 176.91 177.94 1iie h SER 178 N -1.08 0.42 -0.08 1.39 4.64 0.21 0.77 113.55 119.82 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 0.37 0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.53 1iie h SER 178 CO 0.07 0.12 0.00 -2.11 -0.87 0.00 0.00 176.83 174.03 1iie n ARG 179 N -4.96 1.23 -1.24 4.77 -4.01 0.34 -4.27 116.66 108.52 1iie n ARG 179 Ca 0.19 -0.35 -0.20 0.00 -1.04 0.00 0.00 57.85 56.44 1iie n ARG 179 Cb 0.53 -1.17 -0.09 0.00 -3.04 0.00 0.00 32.46 28.68 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 -0.30 0.95 0.61 2.89 -0.00 0.27 -4.39 115.22 115.26 1iie n HIS 180 Ca 0.08 -1.75 0.12 0.00 0.46 0.00 0.00 57.72 56.63 1iie n HIS 180 Cb 0.11 -1.41 0.28 0.00 -0.12 0.00 0.00 29.99 28.85 1iie n HIS 180 CO 0.00 0.00 0.00 -1.13 0.46 0.00 0.00 176.34 175.67 1iie n SER 181 N 1.46 0.73 -0.13 0.26 3.41 -1.26 -4.21 113.62 113.88 1iie n SER 181 Ca 0.44 0.31 -0.26 0.00 -0.26 0.00 0.00 58.87 59.09 1iie n SER 181 Cb 0.69 -0.24 -0.10 0.00 -0.26 0.00 0.00 64.21 64.29 1iie n SER 181 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1iie n LEU 182 N -2.15 2.06 -4.58 1.04 4.77 -1.26 -4.72 117.00 112.16 1iie n LEU 182 Ca 0.04 0.24 -0.36 0.00 -0.03 0.00 0.00 56.01 55.91 1iie n LEU 182 Cb 0.43 -0.79 -0.03 0.00 -2.33 0.00 0.00 43.42 40.70 1iie n LEU 182 CO 0.34 0.62 1.69 -1.61 -1.33 0.00 0.00 177.39 177.10 1iie s GLU 183 N -2.48 3.24 -0.29 3.23 0.41 -1.26 -4.83 118.70 116.72 1iie s GLU 183 Ca -0.36 -1.45 -0.17 0.00 -0.41 0.00 0.00 54.97 52.58 1iie s GLU 183 Cb 0.13 -5.37 0.12 0.00 -1.78 0.00 0.00 34.13 27.24 1iie s GLU 183 CO 0.48 -3.03 0.88 -0.65 -0.49 0.00 0.00 175.26 172.45 1iie s GLN 184 N 5.41 0.50 0.07 1.61 -1.52 -1.26 -4.98 119.66 119.50 1iie s GLN 184 Ca 0.60 0.84 -0.03 0.00 -1.95 0.00 0.00 55.36 54.82 1iie s GLN 184 Cb 0.01 0.12 -0.05 0.00 -0.22 0.00 0.00 33.01 32.87 1iie s GLN 184 CO 0.08 -0.10 0.27 0.21 -0.25 0.00 0.00 175.29 175.50 1iie s LYS 185 N 1.32 3.52 0.78 2.91 2.20 -1.26 -5.09 119.74 124.12 1iie s LYS 185 Ca -0.08 -0.25 -0.11 0.00 -0.36 0.00 0.00 55.97 55.17 1iie s LYS 185 Cb -0.04 -2.99 0.06 0.00 -1.51 0.00 0.00 37.83 33.34 1iie s LYS 185 CO -0.15 0.58 1.08 -1.25 -0.36 0.00 0.00 175.35 175.25 1iie s PRO 186 N -2.37 2.25 -0.28 4.03 0.04 -1.26 -5.07 135.00 132.34 1iie s PRO 186 Ca 0.35 0.84 -0.14 0.00 0.04 0.00 0.00 61.00 62.09 1iie s PRO 186 Cb -0.13 -1.92 0.09 0.00 0.04 0.00 0.00 34.50 32.59 1iie s PRO 186 CO 0.24 -1.56 0.66 0.99 0.04 0.00 0.00 177.00 177.38 1iie s THR 187 N -3.05 -0.29 -0.06 1.26 2.01 -1.26 -5.17 115.64 109.08 1iie s THR 187 Ca 0.60 0.01 -0.30 0.00 0.31 0.00 0.00 61.69 62.31 1iie s THR 187 Cb -0.15 -0.98 0.09 0.00 0.01 0.00 0.00 72.50 71.47 1iie s THR 187 CO 0.55 0.00 0.80 -0.62 -0.69 0.00 0.00 174.62 174.66 1iie s ASP 188 N 2.00 -0.52 -0.13 3.53 2.15 -1.26 -5.18 116.67 117.27 1iie s ASP 188 Ca -0.09 0.47 -0.29 0.00 0.43 0.00 0.00 52.55 53.06 1iie s ASP 188 Cb -0.07 0.45 0.08 0.00 -0.30 0.00 0.00 42.92 43.08 1iie s ASP 188 CO -0.19 -0.56 0.77 0.00 -0.17 0.00 0.00 175.17 175.02 1iie s ALA 189 N -1.63 -1.82 0.64 3.66 0.00 -1.26 -5.16 121.76 116.19 1iie s ALA 189 Ca -0.05 1.53 -0.15 0.00 0.00 0.00 0.00 51.96 53.29 1iie s ALA 189 Cb -0.00 -0.44 -0.01 0.00 0.00 0.00 0.00 23.12 22.66 1iie s ALA 189 CO 0.03 -0.34 1.09 -1.25 0.00 0.00 0.00 175.76 175.28 1iie s PRO 190 N -0.80 2.99 0.72 0.00 0.04 -1.26 -5.02 135.00 131.66 1iie s PRO 190 Ca -0.06 1.30 -0.11 0.00 0.04 0.00 0.00 61.00 62.17 1iie s PRO 190 Cb -0.01 -1.98 0.02 0.00 0.04 0.00 0.00 34.50 32.57 1iie s PRO 190 CO 0.06 -1.09 1.07 -1.25 0.04 0.00 0.00 177.00 175.83 1iie s PRO 191 N -4.13 2.75 0.00 0.56 0.04 -1.26 -5.37 135.00 127.59 1iie s PRO 191 Ca 0.65 0.93 0.27 0.00 0.04 0.00 0.00 61.00 62.89 1iie s PRO 191 Cb -0.19 -1.97 1.62 0.00 0.04 0.00 0.00 34.50 34.00 1iie s PRO 191 CO 0.40 -1.22 1.97 1.17 0.04 0.00 0.00 177.00 179.36