#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 -2.16 0.01 -7.48 0.00 -1.26 -5.01 105.19 89.29 1iie n GLY 119 Ca 0.00 0.64 0.00 0.00 0.00 0.00 0.00 46.02 46.66 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 0.49 -0.01 -0.00 1.61 5.15 -1.26 -5.00 115.26 116.24 1iie n ASN 120 Ca 0.02 -1.00 0.10 0.00 -0.60 0.00 0.00 54.58 53.09 1iie n ASN 120 Cb 0.30 0.01 -0.12 0.00 -0.53 0.00 0.00 39.78 39.44 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 0.41 -0.37 1.20 2.81 -1.26 -4.40 117.12 115.51 1iie n MET 121 Ca 0.00 -0.02 0.35 0.00 -1.81 0.00 0.00 57.70 56.23 1iie n MET 121 Cb 0.00 -1.45 0.71 0.00 -0.71 0.00 0.00 33.22 31.78 1iie n MET 121 CO 0.00 0.00 0.00 1.15 1.51 0.00 0.00 175.97 178.63 1iie h THR 122 N 0.00 0.37 -0.35 2.03 2.02 -1.97 0.48 112.91 115.49 1iie h THR 122 Ca 0.00 -0.02 -0.12 0.00 0.77 0.00 0.00 66.41 67.03 1iie h THR 122 Cb 0.51 0.29 -0.01 0.00 -1.74 0.00 0.00 68.15 67.20 1iie h THR 122 CO 0.00 0.01 -0.28 -0.33 0.37 0.00 0.00 175.52 175.29 1iie h GLU 123 N 0.07 0.73 0.00 6.66 5.08 -1.97 1.56 114.58 126.71 1iie h GLU 123 Ca 0.62 -0.32 -0.07 0.00 -1.00 0.00 0.00 59.36 58.59 1iie h GLU 123 Cb 2.32 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 31.54 1iie h GLU 123 CO -0.08 0.93 -0.34 -0.44 -1.00 0.00 0.00 179.01 178.08 1iie h ASP 124 N 0.63 0.00 0.94 1.42 3.32 -0.39 1.27 116.42 123.61 1iie h ASP 124 Ca 0.08 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 57.00 1iie h ASP 124 Cb 0.80 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.33 1iie h ASP 124 CO 0.07 0.34 -1.13 -0.74 -1.72 0.00 0.00 179.24 176.06 1iie h HIS 125 N 0.00 0.00 0.08 4.55 2.76 -0.56 -2.30 115.15 119.69 1iie h HIS 125 Ca -0.00 0.00 -0.32 0.00 -2.20 0.00 0.00 60.37 57.84 1iie h HIS 125 Cb 0.94 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 29.88 1iie h HIS 125 CO 0.00 0.46 -1.76 0.28 -1.30 0.00 0.00 177.93 175.61 1iie h VAL 126 N 0.00 0.86 -0.52 5.26 2.07 0.25 -2.79 116.25 121.38 1iie h VAL 126 Ca -0.10 -2.59 -0.07 0.00 0.82 0.00 0.00 66.70 64.75 1iie h VAL 126 Cb 1.44 2.56 -0.02 0.00 -1.52 0.00 0.00 31.29 33.75 1iie h VAL 126 CO 0.04 0.75 0.05 -0.03 0.02 0.00 0.00 177.57 178.40 1iie h MET 127 N 0.05 0.88 -0.36 1.57 -1.53 0.15 -1.61 114.93 114.09 1iie h MET 127 Ca -0.32 -0.26 -0.09 0.00 -3.44 0.00 0.00 59.70 55.59 1iie h MET 127 Cb 2.02 -0.09 -0.02 0.00 -0.55 0.00 0.00 31.60 32.96 1iie h MET 127 CO 0.11 0.88 -0.15 0.45 0.14 0.00 0.00 176.91 178.35 1iie h HIS 128 N 0.76 0.71 0.00 1.39 3.86 -1.51 0.49 115.15 120.85 1iie h HIS 128 Ca 0.15 -0.13 0.00 0.00 -1.16 0.00 0.00 60.37 59.23 1iie h HIS 128 Cb 0.45 -0.18 0.00 0.00 1.06 0.00 0.00 27.41 28.74 1iie h HIS 128 CO 0.03 0.76 0.00 -0.07 0.86 0.00 0.00 177.93 179.51 1iie h LEU 129 N 0.59 0.00 0.00 2.43 -0.00 -1.11 -1.73 115.31 115.48 1iie h LEU 129 Ca 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.98 1iie h LEU 129 Cb 0.59 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.25 1iie h LEU 129 CO 0.04 0.00 -0.73 0.18 -0.00 0.00 0.00 178.44 177.92 1iie n LEU 130 N -2.74 0.56 0.04 1.67 4.77 -0.33 -3.97 117.00 117.01 1iie n LEU 130 Ca -0.00 -0.45 0.12 0.00 -0.03 0.00 0.00 56.01 55.65 1iie n LEU 130 Cb 0.18 0.00 0.15 0.00 -2.33 0.00 0.00 43.42 41.42 1iie n LEU 130 CO 0.20 0.14 0.28 0.00 -1.33 0.00 0.00 177.39 176.68 1iie n GLN 131 N -1.38 0.25 -0.09 3.23 6.02 0.16 -3.27 117.38 122.29 1iie n GLN 131 Ca 0.02 0.05 -0.11 0.00 -0.01 0.00 0.00 57.00 56.95 1iie n GLN 131 Cb 0.22 -1.64 -0.11 0.00 1.02 0.00 0.00 30.24 29.74 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 -1.98 1.74 0.10 1.08 4.13 -0.99 -4.36 115.26 114.98 1iie n ASN 132 Ca 0.03 -0.06 -0.00 0.00 1.68 0.00 0.00 54.58 56.23 1iie n ASN 132 Cb 0.42 0.27 0.29 0.00 -1.54 0.00 0.00 39.78 39.22 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 0.38 1.27 -3.36 5.41 0.00 -1.72 -3.41 119.26 117.84 1iie h ALA 133 Ca -0.45 -0.32 -0.42 0.00 0.00 0.00 0.00 54.91 53.72 1iie h ALA 133 Cb 1.85 -0.09 -0.36 0.00 0.00 0.00 0.00 17.79 19.18 1iie h ALA 133 CO -0.03 0.49 -0.77 -0.51 0.00 0.00 0.00 179.25 178.44 1iie s ASP 134 N -6.87 1.22 0.00 0.00 1.01 -1.20 -4.99 116.67 105.83 1iie s ASP 134 Ca -0.05 -0.09 0.25 0.00 0.71 0.00 0.00 52.55 53.36 1iie s ASP 134 Cb 0.14 -0.42 1.48 0.00 1.01 0.00 0.00 42.92 45.13 1iie s ASP 134 CO 0.76 -0.13 1.88 -0.81 0.21 0.00 0.00 175.17 177.07 1iie n PRO 135 N 4.63 0.86 -0.25 8.23 -0.04 -1.26 -3.18 135.00 144.00 1iie n PRO 135 Ca -0.16 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.39 1iie n PRO 135 Cb 0.50 -1.45 0.17 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 -0.95 2.63 -4.68 1.53 7.99 -1.26 -5.00 117.00 117.26 1iie n LEU 136 Ca 0.19 -3.29 -0.36 0.00 -0.01 0.00 0.00 56.01 52.53 1iie n LEU 136 Cb 0.08 -0.47 -0.09 0.00 -0.11 0.00 0.00 43.42 42.84 1iie n LEU 136 CO 0.14 0.88 -0.15 -0.54 -1.51 0.00 0.00 177.39 176.22 1iie s LYS 137 N -2.97 4.12 0.15 3.23 -0.14 -1.19 -5.07 119.74 117.87 1iie s LYS 137 Ca 0.35 -0.20 0.03 0.00 -1.36 0.00 0.00 55.97 54.78 1iie s LYS 137 Cb 0.31 -3.50 -0.05 0.00 -1.68 0.00 0.00 37.83 32.91 1iie s LYS 137 CO 0.01 0.12 -0.04 0.08 -0.76 0.00 0.00 175.35 174.77 1iie s VAL 138 N 0.87 0.82 -0.39 3.17 1.01 -1.26 -4.80 120.40 119.82 1iie s VAL 138 Ca 0.09 -1.99 0.02 0.00 0.00 0.00 0.00 61.98 60.10 1iie s VAL 138 Cb -0.13 -1.97 0.15 0.00 0.00 0.00 0.00 36.38 34.43 1iie s VAL 138 CO 0.03 -0.62 0.28 -0.31 0.00 0.00 0.00 175.10 174.48 1iie s TYR 139 N -3.56 0.95 0.58 5.22 1.51 -1.26 -5.11 117.35 115.68 1iie s TYR 139 Ca 0.20 -2.00 -0.19 0.00 -1.01 0.00 0.00 57.07 54.07 1iie s TYR 139 Cb 0.05 -0.95 -0.06 0.00 -0.11 0.00 0.00 41.96 40.89 1iie s TYR 139 CO 0.01 -0.83 0.98 -0.35 -1.11 0.00 0.00 175.55 174.26 1iie n PRO 140 N 3.43 0.99 -1.87 -1.71 -0.04 -1.26 -4.80 135.00 129.74 1iie n PRO 140 Ca 0.21 0.38 -0.38 0.00 -0.04 0.00 0.00 63.50 63.67 1iie n PRO 140 Cb 0.42 -2.17 -0.03 0.00 -0.04 0.00 0.00 33.50 31.68 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 -2.67 2.44 -1.46 0.54 0.04 -1.26 -4.84 135.00 127.79 1iie s PRO 141 Ca 0.74 0.88 -0.11 0.00 0.04 0.00 0.00 61.00 62.55 1iie s PRO 141 Cb -0.43 -4.46 0.03 0.00 0.04 0.00 0.00 34.50 29.68 1iie s PRO 141 CO 0.48 -2.93 2.43 1.28 0.04 0.00 0.00 177.00 178.31 1iie n LEU 142 N 13.87 7.63 0.26 -3.56 4.77 -1.26 -4.61 117.00 134.11 1iie n LEU 142 Ca 0.26 -4.41 0.17 0.00 -0.03 0.00 0.00 56.01 52.00 1iie n LEU 142 Cb 0.53 -1.55 0.66 0.00 -2.33 0.00 0.00 43.42 40.73 1iie n LEU 142 CO 0.71 1.61 0.98 0.11 -1.33 0.00 0.00 177.39 179.47 1iie h LYS 143 N 5.42 0.00 0.00 3.23 1.79 -1.98 -3.43 116.57 121.60 1iie h LYS 143 Ca 0.66 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 59.13 1iie h LYS 143 Cb 0.47 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.12 1iie h LYS 143 CO 1.75 0.00 0.00 0.41 -1.08 0.00 0.00 179.45 180.53 1iie n GLY 144 N 0.05 -2.84 3.96 3.86 0.00 -1.26 -4.99 105.19 103.97 1iie n GLY 144 Ca 0.01 -1.07 -0.22 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 -1.92 5.74 0.31 1.61 0.01 -1.26 -4.72 113.70 113.46 1iie s SER 145 Ca 0.00 0.15 0.05 0.00 1.31 0.00 0.00 55.95 57.46 1iie s SER 145 Cb 0.00 -1.35 0.69 0.00 0.21 0.00 0.00 66.02 65.57 1iie s SER 145 CO 0.00 -0.75 1.83 0.15 0.41 0.00 0.00 173.24 174.87 1iie h PHE 146 N 0.40 1.03 0.00 2.43 3.57 -1.94 2.24 116.94 124.67 1iie h PHE 146 Ca -0.45 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.08 1iie h PHE 146 Cb 1.26 -0.32 0.00 0.00 2.79 0.00 0.00 35.95 39.68 1iie h PHE 146 CO 0.43 0.35 0.00 -1.00 -2.23 0.00 0.00 178.31 175.86 1iie h PRO 147 N 0.84 0.00 0.11 6.41 0.13 -1.98 0.12 132.00 137.62 1iie h PRO 147 Ca 0.51 0.00 -0.30 0.00 -0.87 0.00 0.00 66.00 65.33 1iie h PRO 147 Cb 0.69 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.81 1iie h PRO 147 CO -0.28 0.00 -1.61 0.93 -0.23 0.00 0.00 178.00 176.81 1iie h GLU 148 N 0.00 0.23 -0.37 0.86 4.39 -0.49 -2.52 114.58 116.67 1iie h GLU 148 Ca 0.00 -0.39 0.04 0.00 0.34 0.00 0.00 59.36 59.35 1iie h GLU 148 Cb 0.66 0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 29.44 1iie h GLU 148 CO 0.00 1.19 0.25 -0.91 -1.16 0.00 0.00 179.01 178.37 1iie h ASN 149 N -0.26 0.30 0.09 1.42 -0.26 0.36 1.42 115.58 118.65 1iie h ASN 149 Ca -0.35 -0.00 -0.13 0.00 -0.56 0.00 0.00 56.30 55.26 1iie h ASN 149 Cb 1.81 -0.07 0.01 0.00 -1.06 0.00 0.00 38.32 39.01 1iie h ASN 149 CO 0.04 0.20 -0.57 -0.07 -1.06 0.00 0.00 177.43 175.97 1iie h LEU 150 N 0.34 0.28 -1.49 1.61 3.38 -0.85 -2.03 115.31 116.56 1iie h LEU 150 Ca 0.16 -0.95 -0.03 0.00 0.09 0.00 0.00 57.88 57.14 1iie h LEU 150 Cb 0.19 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.84 1iie h LEU 150 CO -0.03 1.27 -0.14 0.03 0.09 0.00 0.00 178.44 179.65 1iie h ARG 151 N -0.61 0.00 0.09 1.13 2.47 -0.98 0.69 114.38 117.16 1iie h ARG 151 Ca -0.11 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.61 1iie h ARG 151 Cb 1.41 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.73 1iie h ARG 151 CO 0.08 0.14 -0.04 1.25 0.56 0.00 0.00 179.97 181.96 1iie h HIS 152 N 0.00 -0.11 -0.90 3.04 2.76 0.19 1.19 115.15 121.32 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 0.55 0.04 -0.07 0.00 1.55 0.00 0.00 27.41 29.48 1iie h HIS 152 CO 0.00 0.43 0.58 -0.07 -1.30 0.00 0.00 177.93 177.57 1iie h LEU 153 N -0.85 0.70 0.21 0.26 3.38 -1.12 2.00 115.31 119.90 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 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.24 1iie h LEU 153 CO 0.02 0.36 -0.10 0.50 0.09 0.00 0.00 178.44 179.31 1iie h LYS 154 N 0.74 -0.28 0.00 1.13 3.11 -0.75 1.25 116.57 121.77 1iie h LYS 154 Ca 0.45 0.02 0.00 0.00 -2.81 0.00 0.00 60.65 58.31 1iie h LYS 154 Cb 0.66 0.06 0.00 0.00 -1.00 0.00 0.00 32.23 31.95 1iie h LYS 154 CO -0.21 0.11 0.00 -1.71 -2.81 0.00 0.00 179.45 174.83 1iie n ASN 155 N -4.99 0.00 0.01 4.20 5.15 0.41 -4.12 115.26 115.91 1iie n ASN 155 Ca -0.08 0.38 -0.02 0.00 -0.60 0.00 0.00 54.58 54.26 1iie n ASN 155 Cb 0.26 -0.45 -0.01 0.00 -0.53 0.00 0.00 39.78 39.06 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 -1.45 1.12 -0.28 -0.44 -1.04 0.67 -5.00 114.28 107.86 1iie n THR 156 Ca 0.05 0.31 -0.29 0.00 -2.04 0.00 0.00 64.05 62.08 1iie n THR 156 Cb 0.20 -1.68 0.28 0.00 -1.82 0.00 0.00 70.33 67.31 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 -3.56 -4.42 -1.95 -2.82 0.00 0.43 -4.84 117.12 99.97 1iie n MET 157 Ca -0.03 -1.31 -0.42 0.00 0.00 0.00 0.00 57.70 55.94 1iie n MET 157 Cb 0.11 -1.92 -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 -4.86 4.21 0.50 3.17 2.02 -1.26 -4.78 118.70 117.70 1iie s GLU 158 Ca 0.65 2.31 0.31 0.00 0.02 0.00 0.00 54.97 58.26 1iie s GLU 158 Cb -0.13 -3.46 1.41 0.00 0.10 0.00 0.00 34.13 32.05 1iie s GLU 158 CO 0.56 -0.68 1.80 1.15 0.02 0.00 0.00 175.26 178.12 1iie h THR 159 N 4.56 0.45 0.00 3.63 2.02 -1.88 1.77 112.91 123.45 1iie h THR 159 Ca -0.42 -0.04 -0.16 0.00 0.77 0.00 0.00 66.41 66.55 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 -0.86 -0.29 0.37 0.00 0.00 175.52 175.68 1iie h ILE 160 N 0.12 1.13 0.00 3.11 6.09 -1.95 0.92 117.51 126.92 1iie h ILE 160 Ca 0.57 -2.66 -0.18 0.00 -1.37 0.00 0.00 64.86 61.22 1iie h ILE 160 Cb 2.00 2.53 -0.03 0.00 0.47 0.00 0.00 36.82 41.80 1iie h ILE 160 CO -0.10 0.64 -0.84 -0.78 -3.07 0.00 0.00 178.15 174.00 1iie h ASP 161 N 0.00 0.00 0.14 2.19 3.58 0.11 -1.64 116.42 120.80 1iie h ASP 161 Ca -0.04 0.00 -0.20 0.00 0.42 0.00 0.00 57.03 57.20 1iie h ASP 161 Cb 1.59 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.64 1iie h ASP 161 CO 0.09 0.84 -0.79 -0.25 -2.88 0.00 0.00 179.24 176.25 1iie h TRP 162 N 0.00 0.73 -0.40 0.28 2.91 0.23 0.75 115.95 120.45 1iie h TRP 162 Ca -0.01 -0.33 0.04 0.00 1.13 0.00 0.00 58.89 59.72 1iie h TRP 162 Cb 1.56 -0.11 -0.04 0.00 -0.51 0.00 0.00 29.16 30.06 1iie h TRP 162 CO 0.00 1.13 0.17 0.87 -1.03 0.00 0.00 178.44 179.57 1iie h LYS 163 N 0.35 0.33 -0.35 2.65 1.79 0.12 0.82 116.57 122.29 1iie h LYS 163 Ca -0.05 -0.02 -0.16 0.00 -2.18 0.00 0.00 60.65 58.24 1iie h LYS 163 Cb 1.39 -0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 31.96 1iie h LYS 163 CO 0.14 0.22 -0.41 0.28 -1.08 0.00 0.00 179.45 178.60 1iie h VAL 164 N 0.34 1.28 -0.53 0.50 2.07 -1.13 -1.26 116.25 117.52 1iie h VAL 164 Ca 0.18 -1.59 -0.07 0.00 0.82 0.00 0.00 66.70 66.04 1iie h VAL 164 Cb 0.13 1.45 -0.02 0.00 -1.52 0.00 0.00 31.29 31.33 1iie h VAL 164 CO -0.16 0.52 0.07 0.15 0.02 0.00 0.00 177.57 178.17 1iie h PHE 165 N 0.70 0.96 -0.48 1.57 3.57 0.16 0.60 116.94 124.01 1iie h PHE 165 Ca 0.05 -0.14 -0.01 0.00 3.53 0.00 0.00 57.97 61.40 1iie h PHE 165 Cb 0.99 -0.26 -0.02 0.00 2.79 0.00 0.00 35.95 39.45 1iie h PHE 165 CO 0.06 0.86 0.25 0.93 -2.23 0.00 0.00 178.31 178.18 1iie h GLU 166 N 0.78 0.68 -0.13 1.11 5.08 0.73 0.89 114.58 123.73 1iie h GLU 166 Ca 0.16 -0.09 -0.05 0.00 -1.00 0.00 0.00 59.36 58.38 1iie h GLU 166 Cb 0.43 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 1iie h GLU 166 CO 0.01 0.55 -0.15 0.77 -1.00 0.00 0.00 179.01 179.19 1iie h SER 167 N 0.64 0.20 -0.25 1.42 0.02 -0.82 0.79 113.55 115.54 1iie h SER 167 Ca 0.17 -0.04 -0.15 0.00 -0.84 0.00 0.00 61.79 60.93 1iie h SER 167 Cb 0.08 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 62.55 1iie h SER 167 CO -0.02 0.38 -0.37 -0.25 -1.14 0.00 0.00 176.83 175.42 1iie h TRP 168 N 0.20 0.94 -0.15 3.45 7.01 0.22 0.44 115.95 128.06 1iie h TRP 168 Ca 0.04 -0.27 -0.18 0.00 2.11 0.00 0.00 58.89 60.59 1iie h TRP 168 Cb 0.40 -0.20 -0.00 0.00 -2.10 0.00 0.00 29.16 27.26 1iie h TRP 168 CO 0.01 1.04 -0.64 0.52 -2.79 0.00 0.00 178.44 176.58 1iie h MET 169 N 0.65 0.56 -0.24 2.65 2.86 0.19 0.43 114.93 122.04 1iie h MET 169 Ca 0.06 -0.40 -0.04 0.00 -2.06 0.00 0.00 59.70 57.26 1iie h MET 169 Cb 0.92 0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.64 1iie h MET 169 CO 0.08 1.02 -0.01 1.25 1.06 0.00 0.00 176.91 180.31 1iie h HIS 170 N 0.41 0.46 -0.28 -0.22 -0.00 0.88 0.84 115.15 117.25 1iie h HIS 170 Ca -0.01 -0.08 -0.04 0.00 -0.00 0.00 0.00 60.37 60.24 1iie h HIS 170 Cb 1.20 -0.12 -0.01 0.00 -0.00 0.00 0.00 27.41 28.48 1iie h HIS 170 CO 0.05 0.60 0.03 0.45 -0.00 0.00 0.00 177.93 179.07 1iie h HIS 171 N 0.19 0.50 -0.83 5.26 -0.00 -0.02 0.25 115.15 120.50 1iie h HIS 171 Ca 0.07 -0.08 0.14 0.00 -0.00 0.00 0.00 60.37 60.50 1iie h HIS 171 Cb 0.42 -0.14 -0.09 0.00 -0.00 0.00 0.00 27.41 27.61 1iie h HIS 171 CO 0.04 0.58 0.42 2.35 -0.00 0.00 0.00 177.93 181.32 1iie h TRP 172 N 0.28 0.73 0.69 2.45 7.01 0.10 0.48 115.95 127.69 1iie h TRP 172 Ca 0.08 0.03 -0.03 0.00 2.11 0.00 0.00 58.89 61.08 1iie h TRP 172 Cb 0.36 -0.20 0.01 0.00 -2.10 0.00 0.00 29.16 27.23 1iie h TRP 172 CO 0.03 0.18 -0.33 1.25 -2.79 0.00 0.00 178.44 176.78 1iie h LEU 173 N 0.61 -0.78 -0.01 0.65 5.85 0.18 -2.24 115.31 119.57 1iie h LEU 173 Ca 0.44 -0.00 0.01 0.00 0.84 0.00 0.00 57.88 59.17 1iie h LEU 173 Cb 0.61 0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.81 1iie h LEU 173 CO -0.35 -0.45 -0.30 -0.07 -0.34 0.00 0.00 178.44 176.93 1iie h LEU 174 N -1.13 -0.92 -0.31 2.25 3.38 0.03 0.85 115.31 119.46 1iie h LEU 174 Ca -0.09 0.10 0.03 0.00 0.09 0.00 0.00 57.88 58.01 1iie h LEU 174 Cb 0.74 0.35 -0.04 0.00 0.09 0.00 0.00 40.66 41.80 1iie h LEU 174 CO 0.16 -0.29 -0.19 0.33 0.09 0.00 0.00 178.44 178.54 1iie n PHE 175 N -4.12 -0.14 -0.04 1.13 -0.00 0.11 0.18 117.46 114.57 1iie n PHE 175 Ca -0.04 0.39 0.15 0.00 -0.00 0.00 0.00 57.45 57.95 1iie n PHE 175 Cb 0.22 -0.48 0.57 0.00 -0.00 0.00 0.00 39.48 39.78 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 0.25 0.20 -4.13 3.07 -1.20 0.61 114.58 113.38 1iie h GLU 176 Ca 0.05 -0.02 -0.01 0.00 -0.50 0.00 0.00 59.36 58.89 1iie h GLU 176 Cb 0.13 -0.06 0.00 0.00 -0.84 0.00 0.00 28.75 27.98 1iie h GLU 176 CO -0.30 0.17 -0.10 1.98 -1.40 0.00 0.00 179.01 179.36 1iie h MET 177 N 0.26 -0.26 -0.78 2.33 1.85 0.31 -2.33 114.93 116.31 1iie h MET 177 Ca 0.26 0.02 0.13 0.00 -0.61 0.00 0.00 59.70 59.49 1iie h MET 177 Cb 0.68 0.06 -0.09 0.00 0.43 0.00 0.00 31.60 32.68 1iie h MET 177 CO -0.05 0.06 0.38 0.66 -0.40 0.00 0.00 176.91 177.55 1iie h SER 178 N -0.98 0.45 -0.15 1.39 4.64 0.24 0.20 113.55 119.35 1iie h SER 178 Ca -0.03 0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 1iie h SER 178 Cb 0.44 0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.54 1iie h SER 178 CO 0.05 0.21 0.00 -2.11 -0.87 0.00 0.00 176.83 174.11 1iie n ARG 179 N -4.89 1.93 -0.07 4.77 -4.01 0.21 -3.95 116.66 110.63 1iie n ARG 179 Ca 0.14 -0.78 0.08 0.00 -1.04 0.00 0.00 57.85 56.25 1iie n ARG 179 Cb 0.37 -1.64 0.31 0.00 -3.04 0.00 0.00 32.46 28.46 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 0.20 0.22 2.89 -0.00 0.71 -3.98 115.22 115.40 1iie n HIS 180 Ca 0.07 -0.10 0.05 0.00 0.46 0.00 0.00 57.72 58.20 1iie n HIS 180 Cb 0.46 0.00 0.48 0.00 -0.12 0.00 0.00 29.99 30.81 1iie n HIS 180 CO 0.00 0.00 0.00 0.77 0.46 0.00 0.00 176.34 177.57 1iie h SER 181 N 1.38 0.00 1.58 0.26 0.02 -1.77 -1.88 113.55 113.14 1iie h SER 181 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1iie h SER 181 Cb 0.31 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.85 1iie h SER 181 CO 0.00 0.21 -0.32 -0.07 -1.14 0.00 0.00 176.83 175.51 1iie h LEU 182 N 0.00 0.00 -3.05 5.07 4.07 -1.93 -3.25 115.31 116.22 1iie h LEU 182 Ca -0.00 -0.02 -0.16 0.00 0.08 0.00 0.00 57.88 57.78 1iie h LEU 182 Cb 0.38 0.00 -0.10 0.00 1.08 0.00 0.00 40.66 42.02 1iie h LEU 182 CO 0.03 0.01 0.21 -0.62 -1.08 0.00 0.00 178.44 176.98 1iie n GLU 183 N -2.81 2.89 -3.36 1.13 1.02 -0.71 -4.64 120.64 114.16 1iie n GLU 183 Ca 0.03 -2.14 -0.20 0.00 -0.02 0.00 0.00 57.16 54.83 1iie n GLU 183 Cb 0.52 -1.94 -0.08 0.00 -0.02 0.00 0.00 31.44 29.91 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 -2.25 0.67 0.52 3.49 0.74 -1.21 -5.08 119.66 116.54 1iie s GLN 184 Ca 0.39 -1.12 -0.22 0.00 0.05 0.00 0.00 55.36 54.46 1iie s GLN 184 Cb 0.31 -0.89 -0.06 0.00 1.10 0.00 0.00 33.01 33.47 1iie s GLN 184 CO 0.09 -1.23 1.30 0.15 -0.55 0.00 0.00 175.29 175.05 1iie s LYS 185 N 1.16 3.32 -0.54 1.67 1.02 -1.26 -4.90 119.74 120.21 1iie s LYS 185 Ca 0.20 2.08 -0.28 0.00 0.02 0.00 0.00 55.97 57.99 1iie s LYS 185 Cb -0.14 -2.29 0.00 0.00 -0.52 0.00 0.00 37.83 34.87 1iie s LYS 185 CO -0.03 -1.00 1.57 -1.25 -0.92 0.00 0.00 175.35 173.72 1iie s PRO 186 N -2.85 3.15 0.48 -1.68 0.04 -1.26 -4.98 135.00 127.88 1iie s PRO 186 Ca 0.69 0.62 0.05 0.00 0.04 0.00 0.00 61.00 62.40 1iie s PRO 186 Cb -0.37 -4.20 -0.02 0.00 0.04 0.00 0.00 34.50 29.95 1iie s PRO 186 CO 0.43 -2.12 0.13 -0.08 0.04 0.00 0.00 177.00 175.41 1iie s THR 187 N 6.88 1.69 -1.59 1.26 -1.32 -1.26 -4.64 115.64 116.65 1iie s THR 187 Ca 0.59 -1.82 0.00 0.00 -1.21 0.00 0.00 61.69 59.25 1iie s THR 187 Cb -0.13 -2.51 0.00 0.00 -1.51 0.00 0.00 72.50 68.35 1iie s THR 187 CO 0.25 0.00 0.00 -0.67 -2.21 0.00 0.00 174.62 171.99 1iie n ASP 188 N -1.31 -4.57 0.26 8.08 -0.08 -1.26 -4.85 116.55 112.82 1iie n ASP 188 Ca -0.09 0.27 -0.16 0.00 -1.51 0.00 0.00 54.79 53.30 1iie n ASP 188 Cb 0.66 -4.00 -0.08 0.00 2.34 0.00 0.00 41.12 40.04 1iie n ASP 188 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1iie h ALA 189 N 0.69 -0.76 -2.32 -1.67 0.00 -2.01 -3.42 119.26 109.77 1iie h ALA 189 Ca -0.36 -0.14 -0.47 0.00 0.00 0.00 0.00 54.91 53.95 1iie h ALA 189 Cb 1.17 0.44 0.02 0.00 0.00 0.00 0.00 17.79 19.42 1iie h ALA 189 CO 0.48 -0.95 0.38 -1.25 0.00 0.00 0.00 179.25 177.91 1iie s PRO 190 N -6.03 3.87 0.06 0.00 0.04 -1.26 -4.98 135.00 126.70 1iie s PRO 190 Ca -0.17 1.36 -0.16 0.00 0.04 0.00 0.00 61.00 62.07 1iie s PRO 190 Cb 0.05 -2.14 -0.18 0.00 0.04 0.00 0.00 34.50 32.27 1iie s PRO 190 CO 0.63 -0.37 1.24 -1.00 0.04 0.00 0.00 177.00 177.54 1iie h PRO 191 N 1.68 0.60 -0.01 0.56 0.13 -2.03 -3.53 132.00 129.40 1iie h PRO 191 Ca -0.49 -0.51 0.00 0.00 -0.87 0.00 0.00 66.00 64.13 1iie h PRO 191 Cb 1.22 0.11 0.00 0.00 0.13 0.00 0.00 31.00 32.46 1iie h PRO 191 CO 0.59 1.13 0.00 1.63 -0.23 0.00 0.00 178.00 181.13