#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k6t n HIS 0 N 0.00 2.19 -1.78 7.33 -0.00 -1.26 -4.92 115.22 116.78 3k6t n HIS 0 Ca 0.00 0.55 -0.41 0.00 0.46 0.00 0.00 57.72 58.32 3k6t n HIS 0 Cb 0.00 -2.41 0.00 0.00 -0.12 0.00 0.00 29.99 27.46 3k6t n HIS 0 CO 0.00 0.00 0.00 -1.83 0.46 0.00 0.00 176.34 174.97 3k6t s GLU 144 N -1.63 3.99 -0.61 1.57 -1.05 -1.26 -4.94 118.70 114.78 3k6t s GLU 144 Ca 0.57 2.56 -0.26 0.00 -0.15 0.00 0.00 54.97 57.70 3k6t s GLU 144 Cb -0.59 -2.89 0.04 0.00 -0.44 0.00 0.00 34.13 30.25 3k6t s GLU 144 CO 0.60 -0.62 1.09 0.00 0.95 0.00 0.00 175.26 177.28 3k6t s ALA 145 N -1.14 3.02 0.27 -0.84 0.00 -1.26 -4.92 121.76 116.90 3k6t s ALA 145 Ca 0.55 -1.20 0.07 0.00 0.00 0.00 0.00 51.96 51.37 3k6t s ALA 145 Cb -0.46 -3.95 -0.06 0.00 0.00 0.00 0.00 23.12 18.65 3k6t s ALA 145 CO 0.62 -2.69 -0.07 0.95 0.00 0.00 0.00 175.76 174.57 3k6t s THR 146 N 4.63 1.67 0.27 0.00 -4.23 -1.26 -4.83 115.64 111.89 3k6t s THR 146 Ca 0.34 -2.14 0.09 0.00 -1.18 0.00 0.00 61.69 58.81 3k6t s THR 146 Cb -0.11 -2.39 -0.03 0.00 1.34 0.00 0.00 72.50 71.32 3k6t s THR 146 CO 0.19 -0.34 1.61 1.62 -0.54 0.00 0.00 174.62 177.16 3k6t h VAL 147 N 2.32 1.43 -0.47 2.29 3.04 -1.97 -1.85 116.25 121.03 3k6t h VAL 147 Ca -0.40 -2.07 -0.08 0.00 -1.01 0.00 0.00 66.70 63.15 3k6t h VAL 147 Cb 1.23 2.10 -0.02 0.00 -2.01 0.00 0.00 31.29 32.60 3k6t h VAL 147 CO 0.66 0.59 -0.01 -0.33 -1.01 0.00 0.00 177.57 177.47 3k6t h GLU 148 N 0.03 0.84 -0.07 4.17 3.07 -1.99 0.07 114.58 120.71 3k6t h GLU 148 Ca -0.01 -0.28 0.01 0.00 -0.50 0.00 0.00 59.36 58.58 3k6t h GLU 148 Cb 1.08 -0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 28.91 3k6t h GLU 148 CO 0.08 0.90 0.02 -0.92 -1.40 0.00 0.00 179.01 177.69 3k6t h TYR 149 N 0.70 0.03 -0.46 4.33 3.20 -1.88 -1.10 116.97 121.80 3k6t h TYR 149 Ca 0.13 0.00 0.09 0.00 3.14 0.00 0.00 58.73 62.09 3k6t h TYR 149 Cb 0.52 -0.01 -0.08 0.00 1.54 0.00 0.00 36.73 38.71 3k6t h TYR 149 CO 0.04 0.02 -0.03 1.25 -1.64 0.00 0.00 178.16 177.80 3k6t h LEU 150 N 0.05 -0.25 -0.35 2.82 5.85 -1.11 -0.79 115.31 121.53 3k6t h LEU 150 Ca 0.03 0.11 0.07 0.00 0.84 0.00 0.00 57.88 58.93 3k6t h LEU 150 Cb 0.02 0.21 -0.07 0.00 0.37 0.00 0.00 40.66 41.19 3k6t h LEU 150 CO -0.03 -0.08 -0.08 0.00 -0.34 0.00 0.00 178.44 177.90 3k6t h ALA 151 N 1.42 0.23 -0.57 1.25 0.00 -0.65 -0.21 119.26 120.73 3k6t h ALA 151 Ca 0.23 0.14 0.02 0.00 0.00 0.00 0.00 54.91 55.29 3k6t h ALA 151 Cb 0.34 0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 3k6t h ALA 151 CO -0.40 -0.46 0.36 -0.44 0.00 0.00 0.00 179.25 178.32 3k6t h ASP 152 N 0.00 0.61 -0.19 0.00 3.32 -0.38 -0.32 116.42 119.47 3k6t h ASP 152 Ca 0.17 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.20 3k6t h ASP 152 Cb 0.26 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.65 3k6t h ASP 152 CO -0.36 0.44 0.09 -0.07 -1.72 0.00 0.00 179.24 177.62 3k6t h LEU 153 N 0.73 0.25 -1.13 1.55 3.38 -0.65 -0.56 115.31 118.88 3k6t h LEU 153 Ca 0.22 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 3k6t h LEU 153 Cb -0.04 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 40.61 3k6t h LEU 153 CO -0.07 0.31 0.41 0.58 0.09 0.00 0.00 178.44 179.76 3k6t h VAL 154 N 0.19 1.22 -0.46 1.22 2.07 -0.80 -0.84 116.25 118.84 3k6t h VAL 154 Ca 0.07 -0.52 -0.05 0.00 0.82 0.00 0.00 66.70 67.02 3k6t h VAL 154 Cb 0.12 0.21 -0.02 0.00 -1.52 0.00 0.00 31.29 30.08 3k6t h VAL 154 CO -0.01 0.24 0.08 0.50 0.02 0.00 0.00 177.57 178.40 3k6t h LYS 155 N 1.02 0.75 -0.43 1.57 3.64 -0.72 -1.33 116.57 121.07 3k6t h LYS 155 Ca 0.26 -0.20 -0.05 0.00 -1.27 0.00 0.00 60.65 59.40 3k6t h LYS 155 Cb 0.01 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.72 3k6t h LYS 155 CO -0.04 0.76 0.05 0.93 -2.27 0.00 0.00 179.45 178.88 3k6t h GLU 156 N 0.62 0.67 -0.39 1.90 5.08 -0.73 -2.47 114.58 119.26 3k6t h GLU 156 Ca 0.14 -0.14 -0.05 0.00 -1.00 0.00 0.00 59.36 58.30 3k6t h GLU 156 Cb 0.37 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 3k6t h GLU 156 CO 0.01 0.65 0.03 -0.22 -1.00 0.00 0.00 179.01 178.48 3k6t h LYS 157 N 0.64 0.66 -0.88 2.33 3.64 -0.94 -1.38 116.57 120.64 3k6t h LYS 157 Ca 0.14 -0.19 0.13 0.00 -1.27 0.00 0.00 60.65 59.45 3k6t h LYS 157 Cb 0.33 -0.07 -0.09 0.00 -0.41 0.00 0.00 32.23 31.99 3k6t h LYS 157 CO 0.01 0.73 0.50 -0.22 -2.27 0.00 0.00 179.45 178.20 3k6t h LYS 158 N 0.49 0.73 -0.35 1.90 3.64 -1.07 -1.47 116.57 120.45 3k6t h LYS 158 Ca 0.11 -0.04 -0.13 0.00 -1.27 0.00 0.00 60.65 59.32 3k6t h LYS 158 Cb 0.42 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.06 3k6t h LYS 158 CO 0.01 0.48 -0.30 0.45 -2.27 0.00 0.00 179.45 177.83 3k6t h HIS 159 N 0.75 0.98 0.00 1.91 3.86 -1.05 -3.09 115.15 118.51 3k6t h HIS 159 Ca 0.46 -0.28 -0.04 0.00 -1.16 0.00 0.00 60.37 59.35 3k6t h HIS 159 Cb 0.55 -0.21 -0.01 0.00 1.06 0.00 0.00 27.41 28.81 3k6t h HIS 159 CO -0.06 1.06 -0.19 -0.07 0.86 0.00 0.00 177.93 179.54 3k6t h LEU 160 N 0.61 0.00 -0.70 2.43 3.38 -0.82 -2.80 115.31 117.42 3k6t h LEU 160 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3k6t h LEU 160 Cb 0.88 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.63 3k6t h LEU 160 CO 0.08 0.19 0.00 0.35 0.09 0.00 0.00 178.44 179.14 3k6t n THR 161 N -3.89 1.23 0.25 0.22 -2.24 -0.59 -0.82 114.28 108.44 3k6t n THR 161 Ca -0.02 0.49 0.14 0.00 -2.27 0.00 0.00 64.05 62.40 3k6t n THR 161 Cb 0.28 -1.44 0.58 0.00 -2.10 0.00 0.00 70.33 67.65 3k6t n THR 161 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 3k6t h LEU 162 N 0.00 0.00 -5.91 3.22 3.38 -1.65 -3.32 115.31 111.02 3k6t h LEU 162 Ca 0.00 0.00 -0.55 0.00 0.09 0.00 0.00 57.88 57.42 3k6t h LEU 162 Cb 0.12 0.00 -0.40 0.00 0.09 0.00 0.00 40.66 40.46 3k6t h LEU 162 CO 0.00 0.09 -0.95 0.49 0.09 0.00 0.00 178.44 178.16 3k6t n PHE 163 N -3.22 1.39 -0.18 1.13 3.72 -0.00 -5.01 117.46 115.30 3k6t n PHE 163 Ca 0.00 -3.83 -0.08 0.00 -0.05 0.00 0.00 57.45 53.49 3k6t n PHE 163 Cb 0.36 -0.44 0.02 0.00 -0.94 0.00 0.00 39.48 38.48 3k6t n PHE 163 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 3k6t h PRO 164 N 3.56 0.73 -0.01 -1.08 0.11 -1.67 -2.80 132.00 130.85 3k6t h PRO 164 Ca 0.12 -0.10 0.00 0.00 0.11 0.00 0.00 66.00 66.13 3k6t h PRO 164 Cb 0.79 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 31.77 3k6t h PRO 164 CO 0.61 0.59 -0.25 0.72 -0.21 0.00 0.00 178.00 179.46 3k6t n HIS 165 N -4.62 0.00 0.08 0.65 8.25 -1.26 -3.18 115.22 115.14 3k6t n HIS 165 Ca 0.02 0.00 0.02 0.00 -0.26 0.00 0.00 57.72 57.51 3k6t n HIS 165 Cb 0.10 -0.14 -0.03 0.00 1.12 0.00 0.00 29.99 31.04 3k6t n HIS 165 CO 0.00 0.00 0.00 1.98 0.64 0.00 0.00 176.34 178.96 3k6t h MET 166 N 1.07 0.00 -0.53 -0.41 -1.53 -1.89 -3.37 114.93 108.26 3k6t h MET 166 Ca 0.00 0.00 -0.38 0.00 -3.44 0.00 0.00 59.70 55.88 3k6t h MET 166 Cb 0.49 0.00 -0.36 0.00 -0.55 0.00 0.00 31.60 31.18 3k6t h MET 166 CO 0.00 0.33 -0.86 1.19 0.14 0.00 0.00 176.91 177.71 3k6t n PHE 167 N -2.99 1.88 -0.23 1.39 3.72 -1.18 -4.89 117.46 115.16 3k6t n PHE 167 Ca -0.04 -2.01 -0.04 0.00 -0.05 0.00 0.00 57.45 55.31 3k6t n PHE 167 Cb 0.77 -0.29 0.13 0.00 -0.94 0.00 0.00 39.48 39.15 3k6t n PHE 167 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 3k6t h SER 168 N 2.06 0.97 -0.17 4.37 4.64 -1.73 0.44 113.55 124.13 3k6t h SER 168 Ca 0.17 -0.14 -0.11 0.00 -0.47 0.00 0.00 61.79 61.24 3k6t h SER 168 Cb 1.42 -0.25 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 3k6t h SER 168 CO 0.49 0.86 -0.32 0.78 -0.87 0.00 0.00 176.83 177.76 3k6t h ASN 169 N 1.03 0.58 -0.97 4.97 2.35 -1.90 -2.82 115.58 118.82 3k6t h ASN 169 Ca 0.24 -0.54 0.08 0.00 -0.55 0.00 0.00 56.30 55.53 3k6t h ASN 169 Cb 0.19 -0.17 -0.07 0.00 0.05 0.00 0.00 38.32 38.32 3k6t h ASN 169 CO -0.02 1.02 0.61 0.58 -1.65 0.00 0.00 177.43 177.97 3k6t h VAL 170 N 0.17 1.02 -0.39 2.81 2.07 -1.86 -1.77 116.25 118.30 3k6t h VAL 170 Ca 0.01 -0.36 -0.08 0.00 0.82 0.00 0.00 66.70 67.08 3k6t h VAL 170 Cb 0.91 -0.14 -0.02 0.00 -1.52 0.00 0.00 31.29 30.53 3k6t h VAL 170 CO 0.07 0.19 -0.10 -0.33 0.02 0.00 0.00 177.57 177.43 3k6t h GLU 171 N 1.06 0.67 -0.35 1.57 5.08 -0.85 -0.84 114.58 120.92 3k6t h GLU 171 Ca 0.44 -0.20 -0.07 0.00 -1.00 0.00 0.00 59.36 58.53 3k6t h GLU 171 Cb 0.28 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 3k6t h GLU 171 CO -0.21 0.75 -0.05 -0.09 -1.00 0.00 0.00 179.01 178.41 3k6t h ARG 172 N 0.61 0.65 -0.82 2.33 2.43 -1.15 -0.58 114.38 117.86 3k6t h ARG 172 Ca 0.11 -0.24 -0.01 0.00 -0.81 0.00 0.00 59.98 59.03 3k6t h ARG 172 Cb 0.53 -0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 29.99 3k6t h ARG 172 CO 0.03 0.80 0.47 -0.07 -1.51 0.00 0.00 179.97 179.69 3k6t h LEU 173 N 0.45 1.01 -0.44 3.80 3.38 -1.08 0.34 115.31 122.76 3k6t h LEU 173 Ca 0.09 -0.09 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 3k6t h LEU 173 Cb 0.54 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 3k6t h LEU 173 CO 0.03 0.80 0.07 0.25 0.09 0.00 0.00 178.44 179.68 3k6t h LEU 174 N 1.13 0.70 -0.81 1.67 5.85 -1.09 -1.15 115.31 121.61 3k6t h LEU 174 Ca 0.29 -0.26 0.02 0.00 0.84 0.00 0.00 57.88 58.77 3k6t h LEU 174 Cb 0.00 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 40.80 3k6t h LEU 174 CO -0.05 0.78 0.53 0.44 -0.34 0.00 0.00 178.44 179.80 3k6t h ASP 175 N 0.59 0.90 -0.71 1.25 3.32 -0.66 0.37 116.42 121.48 3k6t h ASP 175 Ca 0.13 -0.02 -0.04 0.00 0.02 0.00 0.00 57.03 57.13 3k6t h ASP 175 Cb 0.38 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.69 3k6t h ASP 175 CO 0.01 0.64 0.29 0.44 -1.72 0.00 0.00 179.24 178.89 3k6t h ASP 176 N 1.06 0.98 -0.13 6.45 3.32 -0.76 -1.01 116.42 126.33 3k6t h ASP 176 Ca 0.31 -0.17 -0.16 0.00 0.02 0.00 0.00 57.03 57.02 3k6t h ASP 176 Cb -0.07 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 39.22 3k6t h ASP 176 CO -0.08 0.89 -0.50 -0.08 -1.72 0.00 0.00 179.24 177.74 3k6t h GLU 177 N 1.02 0.70 -0.48 3.56 4.57 -0.72 -0.36 114.58 122.88 3k6t h GLU 177 Ca 0.24 -0.42 -0.02 0.00 -1.18 0.00 0.00 59.36 57.98 3k6t h GLU 177 Cb 0.21 0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 28.82 3k6t h GLU 177 CO -0.02 1.04 0.23 0.82 -1.18 0.00 0.00 179.01 179.90 3k6t h ILE 178 N 0.55 1.19 -0.29 2.32 2.04 -0.83 -0.51 117.51 121.97 3k6t h ILE 178 Ca 0.02 -0.53 -0.00 0.00 1.00 0.00 0.00 64.86 65.35 3k6t h ILE 178 Cb 1.06 0.66 -0.01 0.00 -0.74 0.00 0.00 36.82 37.79 3k6t h ILE 178 CO 0.10 0.21 0.17 1.23 0.00 0.00 0.00 178.15 179.86 3k6t h GLY 179 N 0.62 0.43 1.02 5.37 0.00 -1.02 -0.99 103.07 108.50 3k6t h GLY 179 Ca 0.16 -0.19 -0.02 0.00 0.00 0.00 0.00 47.33 47.29 3k6t h GLY 179 CO -0.02 0.18 0.43 -0.09 0.00 0.00 0.00 176.54 177.04 3k6t h ARG 180 N 0.36 1.14 -0.34 4.80 2.43 -0.90 -2.26 114.38 119.61 3k6t h ARG 180 Ca 0.10 -0.14 -0.09 0.00 -0.81 0.00 0.00 59.98 59.04 3k6t h ARG 180 Cb 0.04 -0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 29.36 3k6t h ARG 180 CO -0.02 0.85 -0.15 0.28 -1.51 0.00 0.00 179.97 179.43 3k6t h VAL 181 N 1.13 1.29 -0.31 0.20 2.07 -0.84 -1.36 116.25 118.44 3k6t h VAL 181 Ca 0.28 -1.25 0.00 0.00 0.82 0.00 0.00 66.70 66.55 3k6t h VAL 181 Cb 0.06 1.38 -0.02 0.00 -1.52 0.00 0.00 31.29 31.19 3k6t h VAL 181 CO -0.04 0.41 0.20 0.03 0.02 0.00 0.00 177.57 178.18 3k6t h ARG 182 N 0.47 0.41 -0.19 1.57 3.08 -1.00 -1.18 114.38 117.55 3k6t h ARG 182 Ca 0.08 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.10 3k6t h ARG 182 Cb 0.68 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.63 3k6t h ARG 182 CO 0.05 0.28 0.12 0.28 -1.07 0.00 0.00 179.97 179.63 3k6t h VAL 183 N 0.41 1.05 -0.78 2.04 2.07 -1.39 -2.91 116.25 116.74 3k6t h VAL 183 Ca 0.11 -0.10 0.09 0.00 0.82 0.00 0.00 66.70 67.62 3k6t h VAL 183 Cb -0.03 0.78 -0.07 0.00 -1.52 0.00 0.00 31.29 30.46 3k6t h VAL 183 CO -0.02 0.05 0.43 0.00 0.02 0.00 0.00 177.57 178.05 3k6t h ALA 184 N 1.06 1.09 -0.53 1.67 0.00 -0.87 -2.05 119.26 119.64 3k6t h ALA 184 Ca 0.07 0.04 0.14 0.00 0.00 0.00 0.00 54.91 55.15 3k6t h ALA 184 Cb -0.02 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 3k6t h ALA 184 CO -0.01 0.06 0.37 -0.07 0.00 0.00 0.00 179.25 179.59 3k6t h LEU 185 N 0.73 0.06 -2.72 0.00 3.38 -1.01 -1.95 115.31 113.80 3k6t h LEU 185 Ca 0.37 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.35 3k6t h LEU 185 Cb 0.34 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.08 3k6t h LEU 185 CO -0.24 0.03 0.00 0.49 0.09 0.00 0.00 178.44 178.81 3k6t n PHE 186 N -4.40 0.58 -1.94 1.13 3.01 -0.79 -4.48 117.46 110.56 3k6t n PHE 186 Ca 0.09 -0.45 0.05 0.00 1.01 0.00 0.00 57.45 58.15 3k6t n PHE 186 Cb 0.55 -0.02 0.10 0.00 -0.01 0.00 0.00 39.48 40.11 3k6t n PHE 186 CO 0.00 0.00 0.00 1.04 1.01 0.00 0.00 176.76 178.81 3k6t n GLN 187 N 0.89 0.75 0.17 -1.08 6.02 -0.74 -4.81 117.38 118.59 3k6t n GLN 187 Ca 0.15 -2.46 0.13 0.00 -0.01 0.00 0.00 57.00 54.81 3k6t n GLN 187 Cb 0.48 -0.84 0.57 0.00 1.02 0.00 0.00 30.24 31.47 3k6t n GLN 187 CO 0.00 0.00 0.00 1.79 -1.01 0.00 0.00 177.06 177.84 3k6t h THR 188 N 3.93 0.00 0.00 5.09 1.35 -1.77 -2.64 112.91 118.86 3k6t h THR 188 Ca -0.09 -0.21 -0.14 0.00 -0.55 0.00 0.00 66.41 65.42 3k6t h THR 188 Cb 1.40 0.93 -0.02 0.00 -1.73 0.00 0.00 68.15 68.72 3k6t h THR 188 CO 0.04 0.00 -1.43 -1.84 -0.25 0.00 0.00 175.52 172.04 3k6t n GLU 189 N -2.39 0.62 0.00 4.72 0.00 -1.26 -5.20 120.64 117.13 3k6t n GLU 189 Ca 0.01 0.17 0.01 0.00 0.00 0.00 0.00 57.16 57.35 3k6t n GLU 189 Cb 0.19 -1.78 0.05 0.00 0.00 0.00 0.00 31.44 29.90 3k6t n GLU 189 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.13 178.32