#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kbl s HIS 0 N 0.00 3.14 0.39 7.33 5.04 -1.26 -4.98 115.29 124.95 3kbl s HIS 0 Ca 0.00 1.61 -0.27 0.00 -1.54 0.00 0.00 55.06 54.86 3kbl s HIS 0 Cb 0.00 -3.08 -0.11 0.00 0.04 0.00 0.00 32.58 29.44 3kbl s HIS 0 CO 0.00 -0.69 1.44 -1.91 -2.34 0.00 0.00 174.74 171.24 3kbl n GLU 144 N -0.54 2.47 -2.93 2.88 2.13 -1.26 -4.92 120.64 118.47 3kbl n GLU 144 Ca 0.07 0.87 -0.43 0.00 0.66 0.00 0.00 57.16 58.33 3kbl n GLU 144 Cb 0.51 -2.60 -0.05 0.00 0.27 0.00 0.00 31.44 29.57 3kbl n GLU 144 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3kbl s ALA 145 N -1.13 3.27 0.10 4.31 0.00 -1.26 -4.91 121.76 122.13 3kbl s ALA 145 Ca 0.55 -1.03 0.03 0.00 0.00 0.00 0.00 51.96 51.52 3kbl s ALA 145 Cb -0.48 -3.53 -0.04 0.00 0.00 0.00 0.00 23.12 19.07 3kbl s ALA 145 CO 0.62 -2.01 -0.09 0.95 0.00 0.00 0.00 175.76 175.23 3kbl s THR 146 N 3.43 0.85 0.28 0.00 -4.23 -1.26 -4.81 115.64 109.90 3kbl s THR 146 Ca 0.30 -1.76 -0.01 0.00 -1.18 0.00 0.00 61.69 59.04 3kbl s THR 146 Cb -0.12 -1.49 0.28 0.00 1.34 0.00 0.00 72.50 72.51 3kbl s THR 146 CO 0.22 -0.69 1.90 0.58 -0.54 0.00 0.00 174.62 176.10 3kbl h VAL 147 N 3.31 1.09 -0.63 2.29 2.07 -1.97 -2.04 116.25 120.37 3kbl h VAL 147 Ca -0.36 -0.39 -0.08 0.00 0.82 0.00 0.00 66.70 66.69 3kbl h VAL 147 Cb 1.18 -0.14 -0.03 0.00 -1.52 0.00 0.00 31.29 30.79 3kbl h VAL 147 CO 0.58 0.20 0.08 -0.08 0.02 0.00 0.00 177.57 178.38 3kbl h GLU 148 N 1.12 1.04 -0.50 1.57 4.81 -1.99 -1.51 114.58 119.13 3kbl h GLU 148 Ca 0.41 -0.28 -0.10 0.00 -0.13 0.00 0.00 59.36 59.26 3kbl h GLU 148 Cb 0.17 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.41 3kbl h GLU 148 CO -0.16 0.97 -0.09 -0.92 -0.73 0.00 0.00 179.01 178.08 3kbl h TYR 149 N 0.98 1.05 -0.85 0.92 3.20 -1.83 -1.63 116.97 118.81 3kbl h TYR 149 Ca 0.19 -0.22 0.06 0.00 3.14 0.00 0.00 58.73 61.91 3kbl h TYR 149 Cb 0.45 -0.26 -0.06 0.00 1.54 0.00 0.00 36.73 38.39 3kbl h TYR 149 CO 0.03 1.00 0.53 1.25 -1.64 0.00 0.00 178.16 179.33 3kbl h LEU 150 N 0.80 0.82 -0.39 2.82 5.85 -1.01 0.11 115.31 124.32 3kbl h LEU 150 Ca 0.13 0.02 -0.17 0.00 0.84 0.00 0.00 57.88 58.70 3kbl h LEU 150 Cb 0.64 -0.16 -0.00 0.00 0.37 0.00 0.00 40.66 41.51 3kbl h LEU 150 CO 0.04 0.53 -0.43 0.00 -0.34 0.00 0.00 178.44 178.24 3kbl h ALA 151 N 1.40 0.57 -0.36 1.25 0.00 -1.04 -1.06 119.26 120.01 3kbl h ALA 151 Ca 0.37 -0.47 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 3kbl h ALA 151 Cb 0.17 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 3kbl h ALA 151 CO -0.17 0.68 0.15 0.22 0.00 0.00 0.00 179.25 180.13 3kbl h ASP 152 N 0.72 0.50 -0.10 0.00 3.58 -0.56 0.58 116.42 121.14 3kbl h ASP 152 Ca 0.05 -0.16 0.03 0.00 0.42 0.00 0.00 57.03 57.37 3kbl h ASP 152 Cb 1.03 -0.13 -0.04 0.00 1.72 0.00 0.00 39.33 41.91 3kbl h ASP 152 CO 0.10 0.52 -0.13 -0.07 -2.88 0.00 0.00 179.24 176.78 3kbl h LEU 153 N 0.44 -0.39 -0.82 2.28 3.38 -0.65 -0.00 115.31 119.55 3kbl h LEU 153 Ca 0.12 0.07 0.01 0.00 0.09 0.00 0.00 57.88 58.18 3kbl h LEU 153 Cb 0.17 0.18 -0.04 0.00 0.09 0.00 0.00 40.66 41.06 3kbl h LEU 153 CO -0.01 -0.17 0.54 0.58 0.09 0.00 0.00 178.44 179.47 3kbl h VAL 154 N -0.17 1.20 -0.04 1.22 2.07 -0.90 0.83 116.25 120.47 3kbl h VAL 154 Ca 0.08 -0.38 -0.00 0.00 0.82 0.00 0.00 66.70 67.22 3kbl h VAL 154 Cb 0.28 -0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.04 3kbl h VAL 154 CO -0.19 0.20 0.01 0.50 0.02 0.00 0.00 177.57 178.11 3kbl h LYS 155 N 1.10 0.06 -0.51 1.57 3.64 -0.61 -0.07 116.57 121.76 3kbl h LYS 155 Ca 0.31 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.65 3kbl h LYS 155 Cb -0.11 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.67 3kbl h LYS 155 CO -0.07 0.24 0.24 0.93 -2.27 0.00 0.00 179.45 178.52 3kbl h GLU 156 N -0.13 0.71 -0.41 1.90 5.08 -0.59 -2.10 114.58 119.04 3kbl h GLU 156 Ca 0.01 -0.09 -0.08 0.00 -1.00 0.00 0.00 59.36 58.21 3kbl h GLU 156 Cb 0.21 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 3kbl h GLU 156 CO -0.00 0.56 -0.06 -0.22 -1.00 0.00 0.00 179.01 178.29 3kbl h LYS 157 N 0.71 0.76 -0.59 2.33 3.64 -0.48 -1.79 116.57 121.15 3kbl h LYS 157 Ca 0.18 -0.27 0.12 0.00 -1.27 0.00 0.00 60.65 59.40 3kbl h LYS 157 Cb 0.09 -0.05 -0.09 0.00 -0.41 0.00 0.00 32.23 31.76 3kbl h LYS 157 CO -0.02 0.87 0.06 0.87 -2.27 0.00 0.00 179.45 178.96 3kbl h LYS 158 N 0.58 0.18 -0.28 1.90 1.57 -0.33 -2.07 116.57 118.12 3kbl h LYS 158 Ca 0.11 -0.01 -0.15 0.00 -1.87 0.00 0.00 60.65 58.73 3kbl h LYS 158 Cb 0.57 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.83 3kbl h LYS 158 CO 0.03 0.12 -0.41 0.45 -0.57 0.00 0.00 179.45 179.07 3kbl h HIS 159 N 0.18 0.96 0.00 -1.35 3.86 -1.32 -3.31 115.15 114.17 3kbl h HIS 159 Ca 0.31 -0.32 -0.11 0.00 -1.16 0.00 0.00 60.37 59.09 3kbl h HIS 159 Cb 0.49 -0.19 -0.02 0.00 1.06 0.00 0.00 27.41 28.75 3kbl h HIS 159 CO -0.30 1.11 -0.53 -0.07 0.86 0.00 0.00 177.93 179.00 3kbl h LEU 160 N 0.53 0.00 0.00 2.43 3.38 -0.97 -2.47 115.31 118.21 3kbl h LEU 160 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 3kbl h LEU 160 Cb 1.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.76 3kbl h LEU 160 CO 0.10 0.53 0.00 0.35 0.09 0.00 0.00 178.44 179.51 3kbl n THR 161 N -3.90 1.85 0.50 0.22 -2.24 -0.81 -0.31 114.28 109.59 3kbl n THR 161 Ca -0.01 0.46 0.11 0.00 -2.27 0.00 0.00 64.05 62.34 3kbl n THR 161 Cb 0.54 -1.44 0.43 0.00 -2.10 0.00 0.00 70.33 67.77 3kbl n THR 161 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3kbl n LEU 162 N -1.48 0.43 -3.20 3.22 4.77 -0.93 -3.96 117.00 115.84 3kbl n LEU 162 Ca 0.00 0.59 -0.23 0.00 -0.03 0.00 0.00 56.01 56.34 3kbl n LEU 162 Cb 0.02 -0.52 -0.06 0.00 -2.33 0.00 0.00 43.42 40.53 3kbl n LEU 162 CO 0.01 -0.38 -0.17 0.49 -1.33 0.00 0.00 177.39 176.01 3kbl n PHE 163 N -1.96 0.96 0.20 -1.77 3.72 0.57 -4.95 117.46 114.24 3kbl n PHE 163 Ca 0.03 -3.78 0.05 0.00 -0.05 0.00 0.00 57.45 53.70 3kbl n PHE 163 Cb 0.24 -0.42 0.43 0.00 -0.94 0.00 0.00 39.48 38.79 3kbl n PHE 163 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 3kbl h PRO 164 N 3.65 0.00 0.00 -1.08 0.11 -1.73 -1.69 132.00 131.26 3kbl h PRO 164 Ca 0.11 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 66.17 3kbl h PRO 164 Cb 0.83 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.93 3kbl h PRO 164 CO 0.58 0.32 -0.22 1.12 -0.21 0.00 0.00 178.00 179.58 3kbl h HIS 165 N 0.00 0.00 0.00 0.65 2.07 -1.94 -3.15 115.15 112.79 3kbl h HIS 165 Ca -0.00 0.00 -0.18 0.00 -2.85 0.00 0.00 60.37 57.34 3kbl h HIS 165 Cb 0.61 0.00 -0.03 0.00 2.57 0.00 0.00 27.41 30.56 3kbl h HIS 165 CO 0.00 0.22 -2.02 -1.33 -3.07 0.00 0.00 177.93 171.74 3kbl n MET 166 N -3.44 0.96 -1.98 5.12 2.81 -0.70 -4.68 117.12 115.21 3kbl n MET 166 Ca -0.00 -0.07 -0.11 0.00 -1.81 0.00 0.00 57.70 55.70 3kbl n MET 166 Cb 0.41 -1.43 0.06 0.00 -0.71 0.00 0.00 33.22 31.54 3kbl n MET 166 CO 0.00 0.00 0.00 1.19 1.51 0.00 0.00 175.97 178.67 3kbl n PHE 167 N -2.41 1.74 -0.10 2.03 3.72 -0.84 -4.84 117.46 116.76 3kbl n PHE 167 Ca -0.17 -1.96 -0.07 0.00 -0.05 0.00 0.00 57.45 55.19 3kbl n PHE 167 Cb 0.80 -0.28 0.10 0.00 -0.94 0.00 0.00 39.48 39.16 3kbl n PHE 167 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 3kbl h SER 168 N 2.03 0.80 -0.08 4.37 4.64 -1.81 0.14 113.55 123.65 3kbl h SER 168 Ca 0.14 -0.27 -0.02 0.00 -0.47 0.00 0.00 61.79 61.17 3kbl h SER 168 Cb 1.42 -0.22 -0.00 0.00 -0.31 0.00 0.00 62.40 63.29 3kbl h SER 168 CO 0.45 0.96 -0.03 0.00 -0.87 0.00 0.00 176.83 177.34 3kbl h ALA 169 N 1.10 0.11 -0.63 5.18 0.00 -1.90 -2.56 119.26 120.55 3kbl h ALA 169 Ca 0.11 -0.24 0.10 0.00 0.00 0.00 0.00 54.91 54.88 3kbl h ALA 169 Cb 0.67 -0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.36 3kbl h ALA 169 CO 0.05 -0.14 0.24 0.28 0.00 0.00 0.00 179.25 179.68 3kbl h VAL 170 N -0.21 0.76 -0.71 0.00 2.07 -1.90 -0.68 116.25 115.58 3kbl h VAL 170 Ca 0.02 -0.15 0.05 0.00 0.82 0.00 0.00 66.70 67.44 3kbl h VAL 170 Cb 0.47 0.30 -0.05 0.00 -1.52 0.00 0.00 31.29 30.49 3kbl h VAL 170 CO 0.01 0.08 0.43 -0.33 0.02 0.00 0.00 177.57 177.77 3kbl h GLU 171 N 0.42 0.78 -0.44 1.57 5.08 -0.62 0.17 114.58 121.54 3kbl h GLU 171 Ca 0.32 -0.05 -0.05 0.00 -1.00 0.00 0.00 59.36 58.59 3kbl h GLU 171 Cb 0.41 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.46 3kbl h GLU 171 CO -0.32 0.52 0.09 -0.09 -1.00 0.00 0.00 179.01 178.20 3kbl h ARG 172 N 0.80 0.72 -0.93 2.33 2.43 -1.00 0.24 114.38 118.97 3kbl h ARG 172 Ca 0.30 -0.18 0.09 0.00 -0.81 0.00 0.00 59.98 59.38 3kbl h ARG 172 Cb 0.12 -0.09 -0.07 0.00 -0.42 0.00 0.00 29.97 29.51 3kbl h ARG 172 CO -0.15 0.74 0.58 -0.07 -1.51 0.00 0.00 179.97 179.55 3kbl h LEU 173 N 0.58 0.88 -0.19 3.80 3.38 -0.63 -1.17 115.31 121.97 3kbl h LEU 173 Ca 0.13 0.03 -0.05 0.00 0.09 0.00 0.00 57.88 58.08 3kbl h LEU 173 Cb 0.36 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.95 3kbl h LEU 173 CO 0.01 0.52 -0.10 0.25 0.09 0.00 0.00 178.44 179.21 3kbl h LEU 174 N 0.99 0.41 -1.07 1.67 5.85 0.10 0.69 115.31 123.96 3kbl h LEU 174 Ca 0.43 -0.42 0.06 0.00 0.84 0.00 0.00 57.88 58.80 3kbl h LEU 174 Cb 0.31 -0.11 -0.06 0.00 0.37 0.00 0.00 40.66 41.17 3kbl h LEU 174 CO -0.22 0.74 0.62 0.44 -0.34 0.00 0.00 178.44 179.68 3kbl h ASP 175 N 0.08 0.99 -0.15 1.25 3.32 -0.27 0.14 116.42 121.80 3kbl h ASP 175 Ca 0.04 0.00 -0.18 0.00 0.02 0.00 0.00 57.03 56.91 3kbl h ASP 175 Cb 0.58 -0.21 0.01 0.00 0.22 0.00 0.00 39.33 39.93 3kbl h ASP 175 CO 0.03 0.65 -0.63 0.44 -1.72 0.00 0.00 179.24 178.01 3kbl h ASP 176 N 1.13 0.81 0.01 6.45 3.32 -0.79 -2.18 116.42 125.17 3kbl h ASP 176 Ca 0.41 -0.62 -0.07 0.00 0.02 0.00 0.00 57.03 56.77 3kbl h ASP 176 Cb 0.15 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.45 3kbl h ASP 176 CO -0.15 1.29 -0.18 -0.08 -1.72 0.00 0.00 179.24 178.41 3kbl h GLU 177 N 0.37 0.31 -0.11 3.56 4.57 -0.43 -1.17 114.58 121.68 3kbl h GLU 177 Ca -0.04 -0.09 -0.03 0.00 -1.18 0.00 0.00 59.36 58.03 3kbl h GLU 177 Cb 1.26 -0.03 -0.00 0.00 -0.16 0.00 0.00 28.75 29.81 3kbl h GLU 177 CO 0.13 0.49 -0.04 0.82 -1.18 0.00 0.00 179.01 179.23 3kbl h ILE 178 N 0.29 1.30 -0.58 2.32 2.04 -0.88 -0.91 117.51 121.09 3kbl h ILE 178 Ca 0.05 -1.00 0.02 0.00 1.00 0.00 0.00 64.86 64.92 3kbl h ILE 178 Cb 0.49 1.75 -0.03 0.00 -0.74 0.00 0.00 36.82 38.29 3kbl h ILE 178 CO 0.03 0.29 0.37 1.23 0.00 0.00 0.00 178.15 180.06 3kbl h GLY 179 N -0.13 0.82 1.00 5.37 0.00 -1.31 -0.33 103.07 108.49 3kbl h GLY 179 Ca 0.03 -0.28 0.00 0.00 0.00 0.00 0.00 47.33 47.07 3kbl h GLY 179 CO 0.01 0.26 0.34 -0.09 0.00 0.00 0.00 176.54 177.06 3kbl h ARG 180 N 0.74 0.69 -0.21 4.80 2.43 -1.16 -1.88 114.38 119.79 3kbl h ARG 180 Ca 0.22 -0.05 -0.20 0.00 -0.81 0.00 0.00 59.98 59.15 3kbl h ARG 180 Cb -0.04 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 29.36 3kbl h ARG 180 CO -0.07 0.47 -0.64 0.28 -1.51 0.00 0.00 179.97 178.49 3kbl h VAL 181 N 0.70 1.29 -0.45 0.20 2.07 -0.73 -0.15 116.25 119.20 3kbl h VAL 181 Ca 0.19 -1.86 -0.01 0.00 0.82 0.00 0.00 66.70 65.84 3kbl h VAL 181 Cb -0.06 1.81 -0.02 0.00 -1.52 0.00 0.00 31.29 31.50 3kbl h VAL 181 CO -0.04 0.59 0.26 0.03 0.02 0.00 0.00 177.57 178.43 3kbl h ARG 182 N 0.55 0.61 0.42 1.57 3.08 -0.98 -0.11 114.38 119.54 3kbl h ARG 182 Ca -0.01 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 59.96 3kbl h ARG 182 Cb 1.25 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 31.17 3kbl h ARG 182 CO 0.13 0.47 -0.24 0.28 -1.07 0.00 0.00 179.97 179.54 3kbl h VAL 183 N 0.59 0.50 -0.99 2.04 2.07 -1.28 -3.18 116.25 116.00 3kbl h VAL 183 Ca 0.16 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.78 3kbl h VAL 183 Cb 0.03 0.50 -0.08 0.00 -1.52 0.00 0.00 31.29 30.22 3kbl h VAL 183 CO -0.03 0.00 0.62 0.00 0.02 0.00 0.00 177.57 178.18 3kbl h ALA 184 N -0.07 1.44 -0.40 1.67 0.00 -0.77 -1.51 119.26 119.63 3kbl h ALA 184 Ca -0.05 0.01 0.12 0.00 0.00 0.00 0.00 54.91 54.99 3kbl h ALA 184 Cb 0.50 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 3kbl h ALA 184 CO 0.06 0.28 0.42 -0.07 0.00 0.00 0.00 179.25 179.95 3kbl h LEU 185 N 1.03 0.00 -3.01 0.00 3.38 -0.99 0.10 115.31 115.82 3kbl h LEU 185 Ca 0.47 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.44 3kbl h LEU 185 Cb 0.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.13 3kbl h LEU 185 CO -0.23 0.00 0.00 0.49 0.09 0.00 0.00 178.44 178.79 3kbl n PHE 186 N -3.75 0.74 -0.78 1.13 3.72 -0.57 -5.13 117.46 112.82 3kbl n PHE 186 Ca 0.07 -0.61 0.00 0.00 -0.05 0.00 0.00 57.45 56.86 3kbl n PHE 186 Cb 0.60 -0.13 0.00 0.00 -0.94 0.00 0.00 39.48 39.01 3kbl n PHE 186 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75