#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iv5 s VAL 114 N 0.00 -0.02 -0.16 -4.37 0.11 -1.26 -5.13 120.40 109.57 1iv5 s VAL 114 Ca 0.00 0.08 -0.24 0.00 -2.93 0.00 0.00 61.98 58.90 1iv5 s VAL 114 Cb 0.00 -0.31 -0.02 0.00 -1.53 0.00 0.00 36.38 34.52 1iv5 s VAL 114 CO 0.00 0.03 0.75 0.21 -3.33 0.00 0.00 175.10 172.76 1iv5 s ASN 115 N 0.68 6.88 0.12 3.54 2.47 -1.26 -4.97 114.94 122.40 1iv5 s ASN 115 Ca -0.05 1.08 -0.17 0.00 0.42 0.00 0.00 52.86 54.14 1iv5 s ASN 115 Cb -0.06 -2.41 -0.02 0.00 -1.45 0.00 0.00 41.25 37.30 1iv5 s ASN 115 CO -0.04 -0.31 1.66 0.50 -3.72 0.00 0.00 177.10 175.20 1iv5 h LYS 116 N 7.26 0.53 -0.47 0.43 3.11 -1.98 0.19 116.57 125.65 1iv5 h LYS 116 Ca -0.32 -0.10 -0.06 0.00 -2.81 0.00 0.00 60.65 57.36 1iv5 h LYS 116 Cb 1.15 -0.08 -0.02 0.00 -1.00 0.00 0.00 32.23 32.28 1iv5 h LYS 116 CO 0.80 0.53 0.06 -0.44 -2.81 0.00 0.00 179.45 177.59 1iv5 h ASP 117 N 0.42 0.76 -0.46 4.20 3.45 -1.96 -1.76 116.42 121.08 1iv5 h ASP 117 Ca 0.12 -0.27 -0.03 0.00 0.43 0.00 0.00 57.03 57.27 1iv5 h ASP 117 Cb 0.20 -0.20 -0.02 0.00 -0.56 0.00 0.00 39.33 38.75 1iv5 h ASP 117 CO -0.01 0.85 0.15 -0.61 -1.57 0.00 0.00 179.24 178.05 1iv5 h GLN 118 N 0.66 0.70 0.00 3.56 -0.00 -1.92 -2.30 115.11 115.81 1iv5 h GLN 118 Ca 0.14 -0.15 -0.08 0.00 -0.00 0.00 0.00 58.65 58.56 1iv5 h GLN 118 Cb 0.42 -0.10 -0.01 0.00 0.00 0.00 0.00 27.48 27.78 1iv5 h GLN 118 CO 0.01 0.67 -0.39 0.97 0.00 0.00 0.00 178.83 180.09 1iv5 h ILE 119 N 0.60 0.85 -0.57 2.39 6.09 -0.54 -0.81 117.51 125.52 1iv5 h ILE 119 Ca 0.15 -1.62 -0.07 0.00 -1.37 0.00 0.00 64.86 61.95 1iv5 h ILE 119 Cb 0.25 2.01 -0.02 0.00 0.47 0.00 0.00 36.82 39.53 1iv5 h ILE 119 CO -0.01 0.38 0.09 0.00 -3.07 0.00 0.00 178.15 175.54 1iv5 h ALA 120 N 1.61 1.08 -0.23 0.18 0.00 -0.79 -1.06 119.26 120.05 1iv5 h ALA 120 Ca -0.00 -0.24 -0.13 0.00 0.00 0.00 0.00 54.91 54.54 1iv5 h ALA 120 Cb 0.98 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 1iv5 h ALA 120 CO 0.05 0.60 -0.39 -0.22 0.00 0.00 0.00 179.25 179.29 1iv5 h LYS 121 N 0.87 0.52 -0.40 0.00 3.64 -0.89 -0.24 116.57 120.07 1iv5 h LYS 121 Ca 0.18 -0.25 -0.06 0.00 -1.27 0.00 0.00 60.65 59.25 1iv5 h LYS 121 Cb 0.39 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.19 1iv5 h LYS 121 CO 0.01 0.82 0.02 -0.44 -2.27 0.00 0.00 179.45 177.59 1iv5 h ASP 122 N 0.43 0.67 -0.16 4.20 3.45 -0.84 -0.55 116.42 123.63 1iv5 h ASP 122 Ca 0.04 -0.29 -0.13 0.00 0.43 0.00 0.00 57.03 57.07 1iv5 h ASP 122 Cb 0.87 -0.18 -0.01 0.00 -0.56 0.00 0.00 39.33 39.45 1iv5 h ASP 122 CO 0.07 0.80 -0.36 0.58 -1.57 0.00 0.00 179.24 178.76 1iv5 h VAL 123 N 0.52 1.29 -0.34 -1.35 2.07 -0.51 -0.75 116.25 117.19 1iv5 h VAL 123 Ca 0.12 -1.52 -0.00 0.00 0.82 0.00 0.00 66.70 66.11 1iv5 h VAL 123 Cb 0.44 1.45 -0.02 0.00 -1.52 0.00 0.00 31.29 31.65 1iv5 h VAL 123 CO 0.02 0.49 0.20 0.50 0.02 0.00 0.00 177.57 178.79 1iv5 h LYS 124 N 0.57 0.46 -0.04 1.57 3.64 -0.81 -0.26 116.57 121.70 1iv5 h LYS 124 Ca 0.05 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1iv5 h LYS 124 Cb 0.89 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 32.61 1iv5 h LYS 124 CO 0.08 0.37 0.02 0.37 -2.27 0.00 0.00 179.45 178.02 1iv5 h GLN 125 N 0.43 0.05 -0.99 1.90 4.15 -0.92 -0.68 115.11 119.05 1iv5 h GLN 125 Ca 0.12 -0.01 0.17 0.00 0.77 0.00 0.00 58.65 59.71 1iv5 h GLN 125 Cb 0.03 -0.01 -0.10 0.00 0.21 0.00 0.00 27.48 27.61 1iv5 h GLN 125 CO -0.02 0.11 0.61 0.35 -1.93 0.00 0.00 178.83 177.95 1iv5 h PHE 126 N -0.02 1.01 -0.19 3.99 3.57 0.04 -0.40 116.94 124.95 1iv5 h PHE 126 Ca 0.01 0.03 -0.21 0.00 3.53 0.00 0.00 57.97 61.34 1iv5 h PHE 126 Cb 0.07 -0.31 0.01 0.00 2.79 0.00 0.00 35.95 38.51 1iv5 h PHE 126 CO -0.05 0.28 -0.70 -0.92 -2.23 0.00 0.00 178.31 174.68 1iv5 h TYR 127 N 0.77 1.04 -0.44 0.41 3.20 -0.37 -3.05 116.97 118.53 1iv5 h TYR 127 Ca 0.54 -0.43 0.09 0.00 3.14 0.00 0.00 58.73 62.07 1iv5 h TYR 127 Cb 0.84 -0.17 -0.08 0.00 1.54 0.00 0.00 36.73 38.85 1iv5 h TYR 127 CO -0.00 1.25 -0.11 -0.44 -1.64 0.00 0.00 178.16 177.23 1iv5 h ASP 128 N 0.56 -0.40 -0.34 -2.11 3.45 0.42 0.20 116.42 118.20 1iv5 h ASP 128 Ca -0.03 0.13 0.03 0.00 0.43 0.00 0.00 57.03 57.59 1iv5 h ASP 128 Cb 1.32 0.27 -0.03 0.00 -0.56 0.00 0.00 39.33 40.32 1iv5 h ASP 128 CO 0.15 -0.14 0.13 1.56 -1.57 0.00 0.00 179.24 179.37 1iv5 h GLN 129 N 0.00 0.28 -0.19 3.56 1.08 -1.41 0.59 115.11 119.02 1iv5 h GLN 129 Ca 0.21 -0.02 -0.14 0.00 -1.45 0.00 0.00 58.65 57.26 1iv5 h GLN 129 Cb 0.32 -0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 27.68 1iv5 h GLN 129 CO -0.45 0.18 -0.46 0.00 -0.95 0.00 0.00 178.83 177.16 1iv5 h ALA 130 N 1.20 0.85 -0.06 3.87 0.00 -1.32 -1.29 119.26 122.51 1iv5 h ALA 130 Ca 0.15 -0.46 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 1iv5 h ALA 130 Cb 0.10 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1iv5 h ALA 130 CO -0.14 0.66 -0.00 1.25 0.00 0.00 0.00 179.25 181.02 1iv5 h LEU 131 N 0.40 0.11 -1.85 0.00 5.85 0.33 0.33 115.31 120.48 1iv5 h LEU 131 Ca 0.03 -0.32 0.19 0.00 0.84 0.00 0.00 57.88 58.61 1iv5 h LEU 131 Cb 0.96 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.92 1iv5 h LEU 131 CO 0.08 0.41 0.51 1.56 -0.34 0.00 0.00 178.44 180.67 1iv5 h GLN 132 N -0.19 0.13 0.00 1.25 1.08 0.37 -1.09 115.11 116.67 1iv5 h GLN 132 Ca 0.02 -0.01 -0.23 0.00 -1.45 0.00 0.00 58.65 56.98 1iv5 h GLN 132 Cb 0.35 -0.03 -0.04 0.00 -0.05 0.00 0.00 27.48 27.71 1iv5 h GLN 132 CO 0.00 0.09 -1.73 1.04 -0.95 0.00 0.00 178.83 177.28 1iv5 n GLN 133 N -4.38 0.64 0.18 1.46 6.02 -0.51 -3.72 117.38 117.07 1iv5 n GLN 133 Ca 0.15 0.17 0.13 0.00 -0.01 0.00 0.00 57.00 57.44 1iv5 n GLN 133 Cb 0.71 -1.73 0.33 0.00 1.02 0.00 0.00 30.24 30.58 1iv5 n GLN 133 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1iv5 h ALA 134 N 1.25 1.00 0.02 -1.58 0.00 0.66 -3.33 119.26 117.27 1iv5 h ALA 134 Ca -0.27 0.00 -0.33 0.00 0.00 0.00 0.00 54.91 54.31 1iv5 h ALA 134 Cb 1.81 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 19.55 1iv5 h ALA 134 CO 0.05 0.00 -2.01 0.28 0.00 0.00 0.00 179.25 177.57 1iv5 n VAL 135 N -2.75 1.57 0.00 0.00 0.31 -0.51 -4.70 118.33 112.25 1iv5 n VAL 135 Ca 0.04 -0.77 0.00 0.00 -0.01 0.00 0.00 64.34 63.60 1iv5 n VAL 135 Cb 0.45 -1.05 0.00 0.00 -0.91 0.00 0.00 33.84 32.33 1iv5 n VAL 135 CO 0.00 0.00 0.00 1.33 -1.32 0.00 0.00 176.83 176.84 1iv5 n VAL 136 N -3.06 0.00 -1.36 2.52 0.24 -1.24 -4.72 118.33 110.71 1iv5 n VAL 136 Ca -0.26 0.00 -0.14 0.00 -2.04 0.00 0.00 64.34 61.90 1iv5 n VAL 136 Cb 1.07 0.00 -0.13 0.00 -1.47 0.00 0.00 33.84 33.31 1iv5 n VAL 136 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1iv5 n ASP 137 N 0.00 -1.09 -2.61 -1.34 8.00 -1.26 -4.84 116.55 113.42 1iv5 n ASP 137 Ca 0.00 -1.06 0.00 0.00 0.71 0.00 0.00 54.79 54.44 1iv5 n ASP 137 Cb 0.00 -0.76 0.00 0.00 -0.02 0.00 0.00 41.12 40.34 1iv5 n ASP 137 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1iv5 n ASP 138 N 7.66 0.00 0.00 -2.24 5.75 -1.26 -4.40 116.55 122.06 1iv5 n ASP 138 Ca 0.43 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 55.21 1iv5 n ASP 138 Cb 0.31 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.40 1iv5 n ASP 138 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1iv5 n ASP 139 N 0.00 0.00 -0.10 -1.12 8.00 -1.26 -4.88 116.55 117.19 1iv5 n ASP 139 Ca 0.00 0.00 -0.06 0.00 0.71 0.00 0.00 54.79 55.44 1iv5 n ASP 139 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 1iv5 n ASP 139 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1iv5 h ALA 140 N 0.00 0.23 0.00 2.24 0.00 -1.91 -3.44 119.26 116.38 1iv5 h ALA 140 Ca 0.00 0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1iv5 h ALA 140 Cb 0.00 0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1iv5 h ALA 140 CO 0.00 -0.46 0.00 0.09 0.00 0.00 0.00 179.25 178.88 1iv5 n ASN 141 N -5.28 0.00 0.00 0.00 4.13 -1.26 -4.62 115.26 108.23 1iv5 n ASN 141 Ca 0.01 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.27 1iv5 n ASN 141 Cb 0.20 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.44 1iv5 n ASN 141 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 1iv5 n ASN 142 N 0.55 0.00 0.02 6.41 4.05 -1.26 0.14 115.26 125.17 1iv5 n ASN 142 Ca 0.00 0.15 0.20 0.00 0.45 0.00 0.00 54.58 55.37 1iv5 n ASN 142 Cb 0.00 0.00 0.47 0.00 1.23 0.00 0.00 39.78 41.48 1iv5 n ASN 142 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1iv5 h ALA 143 N -2.00 2.40 0.09 5.20 0.00 -1.88 0.77 119.26 123.85 1iv5 h ALA 143 Ca 0.00 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.74 1iv5 h ALA 143 Cb 0.00 0.04 0.02 0.00 0.00 0.00 0.00 17.79 17.85 1iv5 h ALA 143 CO 0.00 -1.19 -0.65 -0.22 0.00 0.00 0.00 179.25 177.19 1iv5 h LYS 144 N 0.00 0.28 0.00 0.00 3.64 -1.82 -2.11 116.57 116.56 1iv5 h LYS 144 Ca 0.27 -0.42 -0.09 0.00 -1.27 0.00 0.00 60.65 59.14 1iv5 h LYS 144 Cb 2.06 0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 34.02 1iv5 h LYS 144 CO -0.00 1.17 -0.45 0.00 -2.27 0.00 0.00 179.45 177.90 1iv5 h ALA 145 N 0.13 1.20 -0.01 5.00 0.00 0.78 -0.59 119.26 125.77 1iv5 h ALA 145 Ca -0.11 -0.41 -0.19 0.00 0.00 0.00 0.00 54.91 54.20 1iv5 h ALA 145 Cb 1.47 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.18 1iv5 h ALA 145 CO 0.12 0.56 -0.84 -0.39 0.00 0.00 0.00 179.25 178.71 1iv5 h VAL 146 N 0.00 1.49 -0.39 0.00 -1.51 -1.23 -1.86 116.25 112.75 1iv5 h VAL 146 Ca -0.00 -2.55 -0.12 0.00 -1.23 0.00 0.00 66.70 62.80 1iv5 h VAL 146 Cb 0.82 2.41 -0.01 0.00 -2.13 0.00 0.00 31.29 32.38 1iv5 h VAL 146 CO 0.06 0.74 -0.23 0.58 -1.23 0.00 0.00 177.57 177.49 1iv5 h VAL 147 N 0.11 1.28 -0.34 7.19 2.07 -1.10 -0.12 116.25 125.33 1iv5 h VAL 147 Ca -0.04 -1.37 -0.07 0.00 0.82 0.00 0.00 66.70 66.03 1iv5 h VAL 147 Cb 1.45 1.31 -0.02 0.00 -1.52 0.00 0.00 31.29 32.51 1iv5 h VAL 147 CO 0.13 0.46 -0.10 0.11 0.02 0.00 0.00 177.57 178.18 1iv5 h LYS 148 N 0.66 0.58 0.19 1.57 1.57 -0.89 -0.54 116.57 119.70 1iv5 h LYS 148 Ca 0.08 -0.17 -0.01 0.00 -1.87 0.00 0.00 60.65 58.69 1iv5 h LYS 148 Cb 0.79 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.04 1iv5 h LYS 148 CO 0.06 0.68 -0.09 1.15 -0.57 0.00 0.00 179.45 180.68 1iv5 h THR 149 N 0.53 0.91 -1.00 -0.16 2.02 -1.07 -0.61 112.91 113.54 1iv5 h THR 149 Ca 0.10 -0.79 0.27 0.00 0.77 0.00 0.00 66.41 66.76 1iv5 h THR 149 Cb 0.50 1.36 -0.13 0.00 -1.74 0.00 0.00 68.15 68.13 1iv5 h THR 149 CO 0.03 0.17 0.57 -0.26 0.37 0.00 0.00 175.52 176.40 1iv5 h PHE 150 N -0.67 0.96 -0.06 3.16 -1.00 -0.95 0.31 116.94 118.68 1iv5 h PHE 150 Ca -0.03 0.04 -0.20 0.00 2.81 0.00 0.00 57.97 60.59 1iv5 h PHE 150 Cb 0.48 -0.26 -0.00 0.00 3.61 0.00 0.00 35.95 39.77 1iv5 h PHE 150 CO 0.05 -0.04 -0.79 0.45 -1.61 0.00 0.00 178.31 176.37 1iv5 h HIS 151 N 0.47 0.58 0.14 -0.55 3.86 -0.74 0.25 115.15 119.15 1iv5 h HIS 151 Ca 0.67 -0.28 -0.26 0.00 -1.16 0.00 0.00 60.37 59.35 1iv5 h HIS 151 Cb 1.39 -0.08 0.03 0.00 1.06 0.00 0.00 27.41 29.80 1iv5 h HIS 151 CO -0.02 1.05 -1.08 1.49 0.86 0.00 0.00 177.93 180.23 1iv5 h GLU 152 N 0.27 0.49 0.81 2.45 4.57 -0.70 0.21 114.58 122.69 1iv5 h GLU 152 Ca -0.05 -0.71 -0.04 0.00 -1.18 0.00 0.00 59.36 57.38 1iv5 h GLU 152 Cb 1.39 0.25 0.01 0.00 -0.16 0.00 0.00 28.75 30.23 1iv5 h GLU 152 CO 0.14 1.32 -0.39 1.15 -1.18 0.00 0.00 179.01 180.05 1iv5 h THR 153 N 0.02 0.00 -0.00 0.32 2.02 -0.94 -3.16 112.91 111.17 1iv5 h THR 153 Ca -0.17 -0.20 0.00 0.00 0.77 0.00 0.00 66.41 66.81 1iv5 h THR 153 Cb 1.81 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 68.22 1iv5 h THR 153 CO 0.21 0.00 -0.08 0.18 0.37 0.00 0.00 175.52 176.20 1iv5 n LEU 154 N -5.48 0.52 -3.21 2.58 4.77 0.88 -4.96 117.00 112.10 1iv5 n LEU 154 Ca -0.14 -0.05 -0.15 0.00 -0.03 0.00 0.00 56.01 55.65 1iv5 n LEU 154 Cb 0.43 -0.14 0.07 0.00 -2.33 0.00 0.00 43.42 41.45 1iv5 n LEU 154 CO 0.33 0.09 0.03 -0.67 -1.33 0.00 0.00 177.39 175.84 1iv5 n ASP 155 N -0.84 -6.47 -2.99 -1.43 -0.08 0.74 -4.95 116.55 100.54 1iv5 n ASP 155 Ca 0.16 -0.69 -0.09 0.00 -1.51 0.00 0.00 54.79 52.66 1iv5 n ASP 155 Cb 0.26 -5.10 0.02 0.00 2.34 0.00 0.00 41.12 38.64 1iv5 n ASP 155 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1iv5 s GLY 158 N -0.45 -0.39 0.00 0.00 0.00 -1.26 -3.90 107.32 101.32 1iv5 s GLY 158 Ca 0.02 1.45 0.04 0.00 0.00 0.00 0.00 44.72 46.23 1iv5 s GLY 158 CO -0.01 0.66 1.09 -1.14 0.00 0.00 0.00 173.10 173.70 1iv5 n SER 159 N 0.22 0.00 -3.73 1.64 3.41 -1.26 -1.81 113.62 112.10 1iv5 n SER 159 Ca -0.10 0.42 -0.08 0.00 -0.26 0.00 0.00 58.87 58.85 1iv5 n SER 159 Cb 0.60 -0.44 -0.02 0.00 -0.26 0.00 0.00 64.21 64.09 1iv5 n SER 159 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1iv5 s SER 160 N -2.88 -0.33 0.26 4.04 1.04 -1.26 -4.38 113.70 110.19 1iv5 s SER 160 Ca 0.03 -0.42 -0.04 0.00 0.48 0.00 0.00 55.95 56.00 1iv5 s SER 160 Cb 0.03 0.66 0.33 0.00 0.10 0.00 0.00 66.02 67.14 1iv5 s SER 160 CO 0.07 -1.18 1.92 0.74 0.98 0.00 0.00 173.24 175.78 1iv5 h THR 161 N 2.00 1.21 0.76 2.02 2.02 -1.88 -1.39 112.91 117.65 1iv5 h THR 161 Ca -0.23 -0.44 -0.04 0.00 0.77 0.00 0.00 66.41 66.47 1iv5 h THR 161 Cb 1.26 -0.19 0.01 0.00 -1.74 0.00 0.00 68.15 67.49 1iv5 h THR 161 CO 0.27 0.23 -0.36 -0.07 0.37 0.00 0.00 175.52 175.96 1iv5 h LEU 162 N 1.28 -0.86 -2.10 2.58 3.38 -1.96 -2.06 115.31 115.57 1iv5 h LEU 162 Ca 0.38 0.02 0.02 0.00 0.09 0.00 0.00 57.88 58.39 1iv5 h LEU 162 Cb -0.07 0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 1iv5 h LEU 162 CO -0.10 -0.59 0.06 0.71 0.09 0.00 0.00 178.44 178.60 1iv5 h THR 163 N -1.06 0.85 -0.05 0.22 1.35 -1.92 -0.94 112.91 111.35 1iv5 h THR 163 Ca -0.10 0.00 -0.04 0.00 -0.55 0.00 0.00 66.41 65.71 1iv5 h THR 163 Cb 0.79 0.96 0.00 0.00 -1.73 0.00 0.00 68.15 68.17 1iv5 h THR 163 CO 0.17 0.00 -0.13 0.00 -0.25 0.00 0.00 175.52 175.31 1iv5 h ALA 164 N 1.96 0.09 0.18 6.62 0.00 -1.15 -0.40 119.26 126.56 1iv5 h ALA 164 Ca 0.03 -0.35 0.01 0.00 0.00 0.00 0.00 54.91 54.61 1iv5 h ALA 164 Cb 0.14 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.88 1iv5 h ALA 164 CO -0.00 -0.02 -0.44 -0.07 0.00 0.00 0.00 179.25 178.72 1iv5 h LEU 165 N -0.33 -1.29 -0.38 0.00 3.38 -1.03 0.16 115.31 115.82 1iv5 h LEU 165 Ca -0.00 0.13 0.06 0.00 0.09 0.00 0.00 57.88 58.16 1iv5 h LEU 165 Cb 0.73 0.47 -0.08 0.00 0.09 0.00 0.00 40.66 41.86 1iv5 h LEU 165 CO 0.03 -0.52 -0.50 0.74 0.09 0.00 0.00 178.44 178.28 1iv5 h THR 166 N -0.72 0.05 -0.59 0.22 2.02 -1.21 -0.56 112.91 112.13 1iv5 h THR 166 Ca 0.00 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.28 1iv5 h THR 166 Cb 0.72 0.05 -0.08 0.00 -1.74 0.00 0.00 68.15 67.10 1iv5 h THR 166 CO -0.22 0.00 0.18 0.74 0.37 0.00 0.00 175.52 176.59 1iv5 h THR 167 N -0.38 0.72 -0.14 3.16 2.02 -0.96 0.35 112.91 117.67 1iv5 h THR 167 Ca 0.10 -0.11 -0.02 0.00 0.77 0.00 0.00 66.41 67.14 1iv5 h THR 167 Cb 0.60 0.36 -0.01 0.00 -1.74 0.00 0.00 68.15 67.36 1iv5 h THR 167 CO -0.57 0.06 -0.02 0.77 0.37 0.00 0.00 175.52 176.13 1iv5 h SER 168 N 0.33 0.18 0.16 4.18 4.64 -0.05 0.33 113.55 123.32 1iv5 h SER 168 Ca 0.30 -0.02 -0.28 0.00 -0.47 0.00 0.00 61.79 61.32 1iv5 h SER 168 Cb 0.40 -0.05 0.03 0.00 -0.31 0.00 0.00 62.40 62.47 1iv5 h SER 168 CO -0.34 0.24 -1.20 0.58 -0.87 0.00 0.00 176.83 175.24 1iv5 h VAL 169 N 0.20 1.33 0.00 0.95 2.07 0.86 -3.30 116.25 118.36 1iv5 h VAL 169 Ca 0.05 -2.51 0.00 0.00 0.82 0.00 0.00 66.70 65.05 1iv5 h VAL 169 Cb 0.17 2.88 0.00 0.00 -1.52 0.00 0.00 31.29 32.82 1iv5 h VAL 169 CO 0.00 0.75 -1.38 0.18 0.02 0.00 0.00 177.57 177.14 1iv5 n LEU 170 N -3.86 0.49 -2.76 2.57 4.77 0.93 -4.66 117.00 114.47 1iv5 n LEU 170 Ca -0.15 0.13 -0.09 0.00 -0.03 0.00 0.00 56.01 55.88 1iv5 n LEU 170 Cb 0.97 -0.04 0.08 0.00 -2.33 0.00 0.00 43.42 42.10 1iv5 n LEU 170 CO 0.57 -0.07 0.28 0.29 -1.33 0.00 0.00 177.39 177.13 1iv5 n LYS 171 N -2.38 1.10 -0.28 3.23 5.02 0.11 -4.99 118.16 119.98 1iv5 n LYS 171 Ca -0.01 -2.23 0.26 0.00 -2.02 0.00 0.00 58.31 54.32 1iv5 n LYS 171 Cb 0.53 -0.74 0.61 0.00 -0.02 0.00 0.00 35.03 35.42 1iv5 n LYS 171 CO 0.00 0.00 0.00 -0.97 -0.52 0.00 0.00 177.40 175.91 1iv5 h ASN 172 N 2.60 0.24 -0.75 4.39 -0.00 -1.60 -2.12 115.58 118.33 1iv5 h ASN 172 Ca -0.15 0.04 0.17 0.00 -0.00 0.00 0.00 56.30 56.36 1iv5 h ASN 172 Cb 1.18 -0.00 -0.12 0.00 -0.00 0.00 0.00 38.32 39.38 1iv5 h ASN 172 CO 0.14 0.06 0.15 -1.13 -0.00 0.00 0.00 177.43 176.65 1iv5 h ASN 173 N 0.22 -0.06 0.16 1.15 -0.00 -1.91 0.91 115.58 116.04 1iv5 h ASN 173 Ca 0.53 0.16 0.00 0.00 -0.00 0.00 0.00 56.30 56.99 1iv5 h ASN 173 Cb 1.68 0.23 0.00 0.00 -0.00 0.00 0.00 38.32 40.23 1iv5 h ASN 173 CO -0.15 -0.08 0.00 0.18 -0.00 0.00 0.00 177.43 177.38 1iv5 n LEU 174 N -5.20 0.00 -4.98 0.34 4.32 -0.80 -4.77 117.00 105.91 1iv5 n LEU 174 Ca 0.15 0.37 -0.20 0.00 -0.02 0.00 0.00 56.01 56.31 1iv5 n LEU 174 Cb 0.49 -0.37 -0.02 0.00 -1.62 0.00 0.00 43.42 41.90 1iv5 n LEU 174 CO 0.10 -0.29 -0.01 0.00 -1.22 0.00 0.00 177.39 175.97 1iv5 n PRO 176 N -1.48 0.86 -0.46 0.00 -0.02 -1.26 -4.74 135.00 127.91 1iv5 n PRO 176 Ca -0.06 0.30 0.41 0.00 -2.02 0.00 0.00 63.50 62.12 1iv5 n PRO 176 Cb 0.57 -1.54 0.76 0.00 -0.02 0.00 0.00 33.50 33.27 1iv5 n PRO 176 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 1iv5 h SER 177 N 1.67 0.04 0.00 2.55 0.02 -1.93 0.16 113.55 116.05 1iv5 h SER 177 Ca -0.36 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.61 1iv5 h SER 177 Cb 1.38 0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.92 1iv5 h SER 177 CO 0.60 -0.01 0.00 0.61 -1.14 0.00 0.00 176.83 176.89 1iv5 n GLY 178 N -1.79 1.24 3.31 -3.77 0.00 -1.26 -5.04 105.19 97.87 1iv5 n GLY 178 Ca 0.32 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.06 1iv5 n GLY 178 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1iv5 n SER 179 N -0.33 -2.57 0.00 1.61 3.41 0.04 -5.06 113.62 110.72 1iv5 n SER 179 Ca 0.00 -0.32 0.00 0.00 -0.26 0.00 0.00 58.87 58.29 1iv5 n SER 179 Cb 0.28 -1.05 0.00 0.00 -0.26 0.00 0.00 64.21 63.18 1iv5 n SER 179 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1iv5 n ASN 180 N -3.61 0.00 -0.01 4.04 5.15 -1.26 -4.98 115.26 114.59 1iv5 n ASN 180 Ca 0.04 0.00 -0.02 0.00 -0.60 0.00 0.00 54.58 54.00 1iv5 n ASN 180 Cb 0.56 0.00 -0.01 0.00 -0.53 0.00 0.00 39.78 39.80 1iv5 n ASN 180 CO 0.00 0.00 0.00 -0.38 1.40 0.00 0.00 177.26 178.28 1iv5 n ILE 181 N 0.00 0.43 -0.35 -1.44 -0.00 -1.26 -4.51 119.36 112.23 1iv5 n ILE 181 Ca 0.00 0.31 0.11 0.00 -0.00 0.00 0.00 62.75 63.17 1iv5 n ILE 181 Cb 0.00 -1.58 0.22 0.00 -0.00 0.00 0.00 39.64 38.28 1iv5 n ILE 181 CO 0.00 0.00 0.00 0.40 -0.00 0.00 0.00 176.55 176.95 1iv5 h ILE 182 N -0.21 0.02 -0.70 1.39 1.08 -2.00 0.53 117.51 117.62 1iv5 h ILE 182 Ca 0.00 -0.00 0.15 0.00 -0.39 0.00 0.00 64.86 64.62 1iv5 h ILE 182 Cb 0.21 0.01 -0.11 0.00 -3.07 0.00 0.00 36.82 33.86 1iv5 h ILE 182 CO 0.00 0.00 0.09 0.77 -0.69 0.00 0.00 178.15 178.32 1iv5 h SER 183 N 0.00 -0.14 0.00 1.72 4.64 -2.00 1.18 113.55 118.96 1iv5 h SER 183 Ca 0.54 0.16 0.00 0.00 -0.47 0.00 0.00 61.79 62.02 1iv5 h SER 183 Cb 1.01 0.24 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 1iv5 h SER 183 CO -0.96 -0.09 0.02 0.59 -0.87 0.00 0.00 176.83 175.52 1iv5 n ASN 184 N -5.23 0.29 0.11 4.97 3.02 0.18 -0.09 115.26 118.52 1iv5 n ASN 184 Ca 0.12 0.63 -0.21 0.00 -0.03 0.00 0.00 54.58 55.09 1iv5 n ASN 184 Cb 0.43 -0.66 -0.13 0.00 -0.61 0.00 0.00 39.78 38.80 1iv5 n ASN 184 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 1iv5 h LEU 185 N 0.00 0.75 0.00 3.41 5.85 0.15 -3.40 115.31 122.07 1iv5 h LEU 185 Ca 0.00 -0.73 -0.29 0.00 0.84 0.00 0.00 57.88 57.70 1iv5 h LEU 185 Cb 0.03 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 40.77 1iv5 h LEU 185 CO 0.00 1.55 -2.09 0.49 -0.34 0.00 0.00 178.44 178.05 1iv5 n PHE 186 N -3.72 0.00 -2.06 1.25 3.01 -0.56 -4.97 117.46 110.41 1iv5 n PHE 186 Ca -0.13 0.00 -0.41 0.00 1.01 0.00 0.00 57.45 57.92 1iv5 n PHE 186 Cb 1.01 -0.76 -0.03 0.00 -0.01 0.00 0.00 39.48 39.69 1iv5 n PHE 186 CO 0.00 0.00 0.00 0.21 1.01 0.00 0.00 176.76 177.98 1iv5 s LYS 187 N -2.38 4.30 0.64 -1.08 2.20 0.87 -4.94 119.74 119.34 1iv5 s LYS 187 Ca -0.17 2.24 -0.17 0.00 -0.36 0.00 0.00 55.97 57.50 1iv5 s LYS 187 Cb 0.06 -3.14 -0.11 0.00 -1.51 0.00 0.00 37.83 33.13 1iv5 s LYS 187 CO 0.55 -0.39 0.10 0.39 -0.36 0.00 0.00 175.35 175.64 1iv5 n GLU 188 N 2.53 0.19 -3.93 4.03 1.02 -1.26 -4.82 120.64 118.40 1iv5 n GLU 188 Ca 0.07 0.08 -0.27 0.00 -0.02 0.00 0.00 57.16 57.02 1iv5 n GLU 188 Cb 0.41 -1.36 -0.03 0.00 -0.02 0.00 0.00 31.44 30.43 1iv5 n GLU 188 CO 0.00 0.00 0.00 0.16 1.18 0.00 0.00 177.13 178.47 1iv5 s ASP 189 N -1.16 6.35 0.40 1.62 -4.77 -1.26 -4.74 116.67 113.10 1iv5 s ASP 189 Ca 0.60 0.21 0.27 0.00 -3.30 0.00 0.00 52.55 50.32 1iv5 s ASP 189 Cb -0.41 -1.93 1.40 0.00 -1.09 0.00 0.00 42.92 40.89 1iv5 s ASP 189 CO 0.64 0.08 1.54 0.00 0.70 0.00 0.00 175.17 178.12 1iv5 h HIS 191 N 0.00 0.88 0.06 0.00 -0.00 -1.76 0.14 115.15 114.46 1iv5 h HIS 191 Ca 0.85 -0.15 0.00 0.00 -0.00 0.00 0.00 60.37 61.08 1iv5 h HIS 191 Cb 2.52 -0.23 -0.01 0.00 -0.00 0.00 0.00 27.41 29.69 1iv5 h HIS 191 CO -0.01 0.84 -0.06 1.96 -0.00 0.00 0.00 177.93 180.66 1iv5 h GLN 192 N 0.67 -0.13 0.00 2.45 1.08 0.64 -2.54 115.11 117.27 1iv5 h GLN 192 Ca 0.13 0.01 -0.02 0.00 -1.45 0.00 0.00 58.65 57.32 1iv5 h GLN 192 Cb 0.48 0.03 -0.00 0.00 -0.05 0.00 0.00 27.48 27.93 1iv5 h GLN 192 CO 0.02 -0.08 -0.11 0.87 -0.95 0.00 0.00 178.83 178.57 1iv5 h LYS 193 N -0.13 0.00 -0.22 1.46 1.79 -1.13 -0.09 116.57 118.25 1iv5 h LYS 193 Ca 0.01 0.00 -0.14 0.00 -2.18 0.00 0.00 60.65 58.34 1iv5 h LYS 193 Cb 0.13 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.78 1iv5 h LYS 193 CO -0.02 0.11 -0.41 0.82 -1.08 0.00 0.00 179.45 178.88 1iv5 h ILE 194 N 0.00 1.32 -0.67 1.86 2.04 -0.49 -1.93 117.51 119.63 1iv5 h ILE 194 Ca -0.00 -1.62 -0.03 0.00 1.00 0.00 0.00 64.86 64.21 1iv5 h ILE 194 Cb 0.30 1.80 -0.03 0.00 -0.74 0.00 0.00 36.82 38.15 1iv5 h ILE 194 CO 0.01 0.51 0.32 0.44 0.00 0.00 0.00 178.15 179.43 1iv5 h ASP 195 N 0.37 0.88 -0.66 1.72 3.32 -0.80 -1.86 116.42 119.39 1iv5 h ASP 195 Ca 0.01 -0.13 0.08 0.00 0.02 0.00 0.00 57.03 57.01 1iv5 h ASP 195 Cb 1.01 -0.23 -0.07 0.00 0.22 0.00 0.00 39.33 40.26 1iv5 h ASP 195 CO 0.09 0.77 0.31 0.44 -1.72 0.00 0.00 179.24 179.13 1iv5 h ASP 196 N 0.93 0.39 -0.18 6.45 5.19 -0.98 -1.29 116.42 126.93 1iv5 h ASP 196 Ca 0.23 0.06 -0.01 0.00 -0.62 0.00 0.00 57.03 56.69 1iv5 h ASP 196 Cb 0.12 -0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.62 1iv5 h ASP 196 CO -0.03 0.23 0.08 0.25 -3.12 0.00 0.00 179.24 176.65 1iv5 h LEU 197 N 0.54 0.24 0.00 1.55 5.85 -0.82 0.97 115.31 123.64 1iv5 h LEU 197 Ca 0.32 -0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.89 1iv5 h LEU 197 Cb 0.33 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.30 1iv5 h LEU 197 CO -0.26 0.32 0.00 0.49 -0.34 0.00 0.00 178.44 178.65 1iv5 n PHE 198 N -4.86 0.00 -1.81 1.25 3.01 -0.75 -2.18 117.46 112.12 1iv5 n PHE 198 Ca -0.04 0.00 0.04 0.00 1.01 0.00 0.00 57.45 58.46 1iv5 n PHE 198 Cb 0.11 0.00 0.07 0.00 -0.01 0.00 0.00 39.48 39.65 1iv5 n PHE 198 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 1iv5 n SER 199 N -0.78 1.02 -4.16 4.37 3.41 -0.55 -4.96 113.62 111.96 1iv5 n SER 199 Ca 0.09 -2.52 -0.33 0.00 -0.26 0.00 0.00 58.87 55.86 1iv5 n SER 199 Cb 0.04 -0.32 -0.03 0.00 -0.26 0.00 0.00 64.21 63.64 1iv5 n SER 199 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1iv5 n GLY 200 N -0.41 -0.34 2.66 5.00 0.00 -0.21 -4.82 105.19 107.07 1iv5 n GLY 200 Ca 0.08 0.14 -0.29 0.00 0.00 0.00 0.00 46.02 45.95 1iv5 n GLY 200 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1iv5 n LYS 201 N -4.40 3.41 0.00 1.61 3.00 0.17 -5.03 118.16 116.92 1iv5 n LYS 201 Ca -0.08 -4.52 0.04 0.00 -0.00 0.00 0.00 58.31 53.75 1iv5 n LYS 201 Cb 0.57 -2.26 0.04 0.00 0.00 0.00 0.00 35.03 33.38 1iv5 n LYS 201 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12