#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bqp s THR 189 N 0.00 5.02 0.02 2.52 2.01 -1.26 -5.09 115.64 118.87 1bqp s THR 189 Ca 0.00 0.92 0.01 0.00 0.31 0.00 0.00 61.69 62.93 1bqp s THR 189 Cb 0.00 -3.77 -0.01 0.00 0.01 0.00 0.00 72.50 68.73 1bqp s THR 189 CO 0.00 0.51 -0.05 -0.55 -0.69 0.00 0.00 174.62 173.84 1bqp s SER 190 N -0.63 0.50 -0.01 3.53 0.15 -1.26 -5.15 113.70 110.83 1bqp s SER 190 Ca 0.25 -0.32 0.02 0.00 0.70 0.00 0.00 55.95 56.60 1bqp s SER 190 Cb -0.17 0.02 -0.00 0.00 -1.71 0.00 0.00 66.02 64.15 1bqp s SER 190 CO 0.13 -0.12 -0.07 -0.31 1.20 0.00 0.00 173.24 174.07 1bqp s TYR 191 N -0.81 0.67 0.04 3.44 2.02 -1.26 -5.15 117.35 116.30 1bqp s TYR 191 Ca -0.06 -0.13 0.02 0.00 -0.37 0.00 0.00 57.07 56.53 1bqp s TYR 191 Cb -0.06 -0.44 -0.02 0.00 -0.40 0.00 0.00 41.96 41.03 1bqp s TYR 191 CO -0.00 -0.02 -0.08 -0.08 -1.57 0.00 0.00 175.55 173.80 1bqp s THR 192 N -0.11 0.54 -0.04 -0.71 -1.32 -1.26 -5.15 115.64 107.60 1bqp s THR 192 Ca 0.02 -1.02 -0.13 0.00 -1.21 0.00 0.00 61.69 59.34 1bqp s THR 192 Cb -0.04 -0.59 0.02 0.00 -1.51 0.00 0.00 72.50 70.38 1bqp s THR 192 CO -0.00 -0.35 0.30 -0.22 -2.21 0.00 0.00 174.62 172.14 1bqp s LEU 193 N -1.48 0.90 0.09 9.08 2.96 -1.26 -5.17 118.68 123.80 1bqp s LEU 193 Ca -0.09 0.18 -0.20 0.00 -0.22 0.00 0.00 54.13 53.80 1bqp s LEU 193 Cb -0.09 1.18 0.05 0.00 0.50 0.00 0.00 46.19 47.82 1bqp s LEU 193 CO 0.00 -0.37 0.48 -0.94 -1.32 0.00 0.00 176.35 174.20 1bqp s SER 194 N -1.01 -0.37 0.02 3.68 1.04 -1.26 -5.17 113.70 110.63 1bqp s SER 194 Ca -0.11 -0.06 -0.29 0.00 0.48 0.00 0.00 55.95 55.97 1bqp s SER 194 Cb -0.05 0.50 0.10 0.00 0.10 0.00 0.00 66.02 66.67 1bqp s SER 194 CO 0.03 -0.80 1.06 -0.62 0.98 0.00 0.00 173.24 173.89 1bqp s ASP 195 N -2.42 -0.19 -0.07 7.02 -1.08 -1.26 -5.14 116.67 113.54 1bqp s ASP 195 Ca -0.01 -0.17 -0.21 0.00 -0.52 0.00 0.00 52.55 51.64 1bqp s ASP 195 Cb 0.00 0.33 -0.04 0.00 -1.46 0.00 0.00 42.92 41.75 1bqp s ASP 195 CO -0.08 -0.58 0.58 -0.69 0.52 0.00 0.00 175.17 174.93 1bqp s VAL 196 N -2.89 5.06 -0.17 1.11 1.01 -1.26 -5.05 120.40 118.20 1bqp s VAL 196 Ca 0.10 1.20 -0.02 0.00 0.00 0.00 0.00 61.98 63.26 1bqp s VAL 196 Cb 0.00 -3.92 0.05 0.00 0.00 0.00 0.00 36.38 32.51 1bqp s VAL 196 CO -0.03 0.33 0.02 -0.69 0.00 0.00 0.00 175.10 174.73 1bqp s VAL 197 N 0.42 0.61 -1.36 2.92 1.01 -1.26 -5.05 120.40 117.68 1bqp s VAL 197 Ca 0.31 -0.48 -0.16 0.00 0.00 0.00 0.00 61.98 61.66 1bqp s VAL 197 Cb -0.17 -1.01 0.07 0.00 0.00 0.00 0.00 36.38 35.27 1bqp s VAL 197 CO 0.15 -0.08 1.93 -0.24 0.00 0.00 0.00 175.10 176.86 1bqp n SER 198 N 5.03 4.52 -0.33 3.32 2.88 -1.26 -4.80 113.62 122.98 1bqp n SER 198 Ca -0.09 -2.90 0.12 0.00 -1.33 0.00 0.00 58.87 54.67 1bqp n SER 198 Cb 0.48 -1.70 0.25 0.00 -0.75 0.00 0.00 64.21 62.49 1bqp n SER 198 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 1bqp h LEU 199 N 11.24 -0.52 -1.83 2.46 4.07 -1.97 -0.29 115.31 128.47 1bqp h LEU 199 Ca 0.49 0.27 0.24 0.00 0.08 0.00 0.00 57.88 58.96 1bqp h LEU 199 Cb 0.77 0.48 -0.05 0.00 1.08 0.00 0.00 40.66 42.94 1bqp h LEU 199 CO 1.63 -0.32 0.61 0.50 -1.08 0.00 0.00 178.44 179.78 1bqp h LYS 200 N 0.02 0.13 -0.01 1.13 3.64 -1.87 -0.53 116.57 119.09 1bqp h LYS 200 Ca 0.56 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.93 1bqp h LYS 200 Cb 1.09 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.88 1bqp h LYS 200 CO -0.90 0.09 -0.54 -0.25 -2.27 0.00 0.00 179.45 175.58 1bqp n ASP 201 N -4.36 1.18 -0.08 4.20 8.00 -0.12 -4.53 116.55 120.83 1bqp n ASP 201 Ca 0.18 -0.94 -0.13 0.00 0.71 0.00 0.00 54.79 54.61 1bqp n ASP 201 Cb 0.86 0.45 -0.07 0.00 -0.02 0.00 0.00 41.12 42.34 1bqp n ASP 201 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1bqp n VAL 202 N -0.86 0.93 -4.18 2.53 0.31 -0.31 -5.05 118.33 111.70 1bqp n VAL 202 Ca 0.08 -0.32 -0.24 0.00 -0.01 0.00 0.00 64.34 63.85 1bqp n VAL 202 Cb 0.37 -1.27 -0.06 0.00 -0.91 0.00 0.00 33.84 31.97 1bqp n VAL 202 CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 1bqp s VAL 203 N -2.32 4.00 1.02 2.52 -7.23 -0.60 -5.12 120.40 112.66 1bqp s VAL 203 Ca -0.22 -1.48 -0.14 0.00 -1.81 0.00 0.00 61.98 58.33 1bqp s VAL 203 Cb 0.07 -3.10 0.20 0.00 0.56 0.00 0.00 36.38 34.11 1bqp s VAL 203 CO 0.35 -0.25 1.11 -2.84 -0.31 0.00 0.00 175.10 173.17 1bqp s PRO 204 N -3.42 0.28 0.31 4.82 0.02 -1.26 -4.74 135.00 131.01 1bqp s PRO 204 Ca 0.31 0.33 -0.01 0.00 0.02 0.00 0.00 61.00 61.64 1bqp s PRO 204 Cb -0.08 -1.74 0.48 0.00 0.02 0.00 0.00 34.50 33.18 1bqp s PRO 204 CO 0.22 -2.79 1.95 0.93 -0.33 0.00 0.00 177.00 176.98 1bqp h GLU 205 N -1.93 0.98 -6.30 5.54 5.08 -1.97 -3.41 114.58 112.58 1bqp h GLU 205 Ca -0.52 -0.09 -0.68 0.00 -1.00 0.00 0.00 59.36 57.08 1bqp h GLU 205 Cb 1.33 -0.21 -0.18 0.00 0.50 0.00 0.00 28.75 30.19 1bqp h GLU 205 CO 0.55 0.69 -0.71 -1.58 -1.00 0.00 0.00 179.01 176.95 1bqp s TRP 206 N -5.74 2.86 0.27 4.33 0.52 -1.26 -5.12 118.94 114.81 1bqp s TRP 206 Ca -0.11 -0.05 -0.04 0.00 0.02 0.00 0.00 56.10 55.92 1bqp s TRP 206 Cb 0.17 -1.61 -0.02 0.00 -1.15 0.00 0.00 33.47 30.87 1bqp s TRP 206 CO 0.79 0.35 0.35 0.14 0.02 0.00 0.00 176.95 178.60 1bqp s VAL 207 N -0.96 0.00 0.04 4.03 -7.23 -1.26 -5.13 120.40 109.89 1bqp s VAL 207 Ca 0.16 -1.70 0.07 0.00 -1.81 0.00 0.00 61.98 58.70 1bqp s VAL 207 Cb -0.11 -2.45 -0.02 0.00 0.56 0.00 0.00 36.38 34.35 1bqp s VAL 207 CO 0.06 0.00 -0.19 -0.13 -0.31 0.00 0.00 175.10 174.53 1bqp s ARG 208 N -3.72 1.28 0.17 4.82 0.52 -1.26 -5.15 118.95 115.61 1bqp s ARG 208 Ca 0.32 -0.89 0.10 0.00 -0.52 0.00 0.00 55.73 54.74 1bqp s ARG 208 Cb 0.02 -1.37 -0.04 0.00 0.52 0.00 0.00 34.95 34.08 1bqp s ARG 208 CO 0.15 0.35 -0.21 0.96 0.02 0.00 0.00 175.30 176.57 1bqp s ILE 209 N -0.81 2.56 0.00 1.52 -4.36 -1.26 -5.11 121.20 113.74 1bqp s ILE 209 Ca 0.06 -1.83 0.00 0.00 -0.26 0.00 0.00 60.65 58.62 1bqp s ILE 209 Cb -0.09 -2.21 0.00 0.00 1.25 0.00 0.00 42.46 41.42 1bqp s ILE 209 CO 0.02 -0.04 0.00 0.61 0.24 0.00 0.00 174.94 175.77 1bqp n GLY 210 N 0.44 0.83 3.41 6.27 0.00 -1.26 -5.16 105.19 109.72 1bqp n GLY 210 Ca -0.14 -0.81 -0.26 0.00 0.00 0.00 0.00 46.02 44.81 1bqp n GLY 210 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1bqp s PHE 211 N -3.33 2.23 0.01 1.61 0.40 -1.26 -5.14 117.98 112.50 1bqp s PHE 211 Ca 0.00 -0.37 -0.03 0.00 -0.60 0.00 0.00 56.93 55.93 1bqp s PHE 211 Cb 0.00 -1.11 -0.01 0.00 0.51 0.00 0.00 43.02 42.41 1bqp s PHE 211 CO 0.00 0.47 0.04 0.45 0.70 0.00 0.00 175.22 176.88 1bqp s SER 212 N -2.63 0.13 -0.21 1.36 0.15 -1.26 -5.16 113.70 106.08 1bqp s SER 212 Ca 0.20 -0.33 -0.22 0.00 0.70 0.00 0.00 55.95 56.30 1bqp s SER 212 Cb -0.08 0.14 0.06 0.00 -1.71 0.00 0.00 66.02 64.43 1bqp s SER 212 CO 0.09 -0.29 0.62 0.00 1.20 0.00 0.00 173.24 174.86 1bqp s ALA 213 N -1.26 -1.54 0.14 5.45 0.00 -1.26 -5.17 121.76 118.13 1bqp s ALA 213 Ca -0.14 1.68 -0.00 0.00 0.00 0.00 0.00 51.96 53.50 1bqp s ALA 213 Cb -0.08 -0.90 -0.04 0.00 0.00 0.00 0.00 23.12 22.09 1bqp s ALA 213 CO -0.00 -0.30 0.05 0.95 0.00 0.00 0.00 175.76 176.46 1bqp s THR 214 N 0.15 0.22 0.19 0.00 -4.23 -1.26 -5.11 115.64 105.61 1bqp s THR 214 Ca -0.01 -1.92 0.01 0.00 -1.18 0.00 0.00 61.69 58.59 1bqp s THR 214 Cb -0.04 -2.06 -0.05 0.00 1.34 0.00 0.00 72.50 71.69 1bqp s THR 214 CO 0.02 -0.47 0.03 0.42 -0.54 0.00 0.00 174.62 174.08 1bqp s THR 215 N -3.97 0.58 0.00 3.99 -4.23 -1.26 -4.88 115.64 105.87 1bqp s THR 215 Ca 0.24 -1.98 0.00 0.00 -1.18 0.00 0.00 61.69 58.77 1bqp s THR 215 Cb 0.07 -2.24 0.00 0.00 1.34 0.00 0.00 72.50 71.67 1bqp s THR 215 CO 0.02 -0.35 0.00 0.61 -0.54 0.00 0.00 174.62 174.36 1bqp n GLY 216 N -0.28 4.17 0.19 3.99 0.00 -1.26 -4.96 105.19 107.04 1bqp n GLY 216 Ca -0.05 -0.47 0.05 0.00 0.00 0.00 0.00 46.02 45.55 1bqp n GLY 216 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bqp h ALA 217 N 1.14 1.19 -1.88 4.61 0.00 -2.08 -3.43 119.26 118.82 1bqp h ALA 217 Ca 0.00 -0.33 -0.57 0.00 0.00 0.00 0.00 54.91 54.01 1bqp h ALA 217 Cb 0.00 -0.06 -0.10 0.00 0.00 0.00 0.00 17.79 17.63 1bqp h ALA 217 CO 0.00 0.45 -0.59 -1.21 0.00 0.00 0.00 179.25 177.90 1bqp s GLU 218 N -3.92 2.16 0.29 0.00 2.02 -1.26 -5.15 118.70 112.83 1bqp s GLU 218 Ca -0.02 -1.71 -0.19 0.00 0.02 0.00 0.00 54.97 53.06 1bqp s GLU 218 Cb 0.13 -1.99 0.05 0.00 0.10 0.00 0.00 34.13 32.42 1bqp s GLU 218 CO 0.69 0.10 0.85 1.52 0.02 0.00 0.00 175.26 178.45 1bqp s TYR 219 N -2.51 0.01 -0.04 1.61 1.13 -1.26 -4.70 117.35 111.59 1bqp s TYR 219 Ca 0.36 -0.53 -0.31 0.00 -1.41 0.00 0.00 57.07 55.18 1bqp s TYR 219 Cb -0.00 0.76 0.11 0.00 -1.10 0.00 0.00 41.96 41.73 1bqp s TYR 219 CO 0.20 -1.26 1.14 0.00 -2.51 0.00 0.00 175.55 173.13 1bqp s ALA 220 N -2.75 -2.02 0.02 9.51 0.00 -1.26 -5.09 121.76 120.17 1bqp s ALA 220 Ca 0.15 0.94 -0.20 0.00 0.00 0.00 0.00 51.96 52.86 1bqp s ALA 220 Cb -0.04 0.26 -0.06 0.00 0.00 0.00 0.00 23.12 23.28 1bqp s ALA 220 CO 0.08 -0.85 0.58 0.00 0.00 0.00 0.00 175.76 175.57 1bqp s ALA 221 N -2.68 3.53 -0.13 0.00 0.00 -1.26 -4.93 121.76 116.29 1bqp s ALA 221 Ca 0.11 0.02 0.02 0.00 0.00 0.00 0.00 51.96 52.10 1bqp s ALA 221 Cb 0.01 -2.69 0.02 0.00 0.00 0.00 0.00 23.12 20.45 1bqp s ALA 221 CO -0.04 0.25 -0.18 -1.01 0.00 0.00 0.00 175.76 174.78 1bqp s HIS 222 N -0.49 2.29 0.07 0.00 3.76 -1.26 -5.13 115.29 114.53 1bqp s HIS 222 Ca 0.30 -1.17 0.03 0.00 -0.15 0.00 0.00 55.06 54.06 1bqp s HIS 222 Cb -0.18 -1.62 -0.03 0.00 1.11 0.00 0.00 32.58 31.86 1bqp s HIS 222 CO 0.17 -0.58 -0.08 -1.21 -0.85 0.00 0.00 174.74 172.19 1bqp s GLU 223 N 1.05 0.67 -0.07 1.40 2.02 -1.26 -5.08 118.70 117.43 1bqp s GLU 223 Ca -0.04 -0.97 0.05 0.00 0.02 0.00 0.00 54.97 54.03 1bqp s GLU 223 Cb -0.15 -0.35 -0.00 0.00 0.10 0.00 0.00 34.13 33.73 1bqp s GLU 223 CO -0.04 0.05 -0.23 0.08 0.02 0.00 0.00 175.26 175.14 1bqp s VAL 224 N -2.06 1.94 -0.12 2.63 1.01 -1.26 -5.05 120.40 117.50 1bqp s VAL 224 Ca -0.02 -0.98 0.20 0.00 0.00 0.00 0.00 61.98 61.18 1bqp s VAL 224 Cb -0.05 -1.66 -0.29 0.00 0.00 0.00 0.00 36.38 34.38 1bqp s VAL 224 CO -0.01 0.54 0.26 0.18 0.00 0.00 0.00 175.10 176.07 1bqp n LEU 225 N 3.26 0.00 -3.53 3.92 4.32 -1.26 -5.04 117.00 118.67 1bqp n LEU 225 Ca -0.18 0.00 -0.10 0.00 -0.02 0.00 0.00 56.01 55.70 1bqp n LEU 225 Cb 0.52 0.25 -0.02 0.00 -1.62 0.00 0.00 43.42 42.56 1bqp n LEU 225 CO 0.26 0.25 0.44 -0.94 -1.22 0.00 0.00 177.39 176.19 1bqp s SER 226 N -4.97 -0.48 -0.27 -1.43 1.04 -1.26 -5.18 113.70 101.14 1bqp s SER 226 Ca -0.09 -0.14 -0.20 0.00 0.48 0.00 0.00 55.95 56.00 1bqp s SER 226 Cb 0.10 0.61 0.08 0.00 0.10 0.00 0.00 66.02 66.90 1bqp s SER 226 CO 0.85 -1.03 0.70 0.86 0.98 0.00 0.00 173.24 175.60 1bqp s TRP 227 N -3.73 -0.94 0.04 5.02 -0.00 -1.26 -5.17 118.94 112.90 1bqp s TRP 227 Ca 0.04 2.04 0.01 0.00 -0.00 0.00 0.00 56.10 58.18 1bqp s TRP 227 Cb -0.02 0.48 -0.03 0.00 -0.00 0.00 0.00 33.47 33.90 1bqp s TRP 227 CO -0.08 -0.46 -0.05 -1.54 -0.00 0.00 0.00 176.95 174.81 1bqp s SER 228 N 1.10 0.61 -0.04 5.86 1.04 -1.26 -5.16 113.70 115.86 1bqp s SER 228 Ca -0.06 -0.61 -0.15 0.00 0.48 0.00 0.00 55.95 55.62 1bqp s SER 228 Cb -0.05 0.08 0.03 0.00 0.10 0.00 0.00 66.02 66.18 1bqp s SER 228 CO -0.11 -0.30 0.32 0.12 0.98 0.00 0.00 173.24 174.26 1bqp s PHE 229 N -1.83 -0.23 -0.18 5.02 5.36 -1.26 -5.15 117.98 119.71 1bqp s PHE 229 Ca -0.09 0.41 -0.10 0.00 -0.96 0.00 0.00 56.93 56.19 1bqp s PHE 229 Cb -0.07 0.11 0.06 0.00 -0.34 0.00 0.00 43.02 42.78 1bqp s PHE 229 CO -0.02 -0.36 0.44 -1.58 -1.46 0.00 0.00 175.22 172.24 1bqp s HIS 230 N -1.04 -0.66 0.06 10.12 5.65 -1.26 -5.16 115.29 122.99 1bqp s HIS 230 Ca -0.11 1.38 0.03 0.00 0.25 0.00 0.00 55.06 56.61 1bqp s HIS 230 Cb -0.05 0.30 -0.03 0.00 -1.18 0.00 0.00 32.58 31.63 1bqp s HIS 230 CO 0.04 -0.37 -0.08 -1.54 -0.65 0.00 0.00 174.74 172.13 1bqp s SER 231 N 1.52 1.01 -0.09 9.88 1.04 -1.26 -5.15 113.70 120.66 1bqp s SER 231 Ca -0.09 -0.64 -0.04 0.00 0.48 0.00 0.00 55.95 55.67 1bqp s SER 231 Cb -0.08 0.03 0.05 0.00 0.10 0.00 0.00 66.02 66.12 1bqp s SER 231 CO -0.13 -0.23 0.18 -0.70 0.98 0.00 0.00 173.24 173.34 1bqp s GLU 232 N -1.98 0.09 -0.15 4.02 2.12 -1.26 -5.13 118.70 116.41 1bqp s GLU 232 Ca -0.05 0.53 0.01 0.00 0.36 0.00 0.00 54.97 55.82 1bqp s GLU 232 Cb -0.07 -0.19 0.01 0.00 0.26 0.00 0.00 34.13 34.13 1bqp s GLU 232 CO -0.00 -0.24 -0.19 -1.17 -0.54 0.00 0.00 175.26 173.12 1bqp s LEU 233 N 1.82 2.28 0.00 2.70 2.96 -1.26 -5.37 118.68 121.81 1bqp s LEU 233 Ca -0.03 -0.55 0.30 0.00 -0.22 0.00 0.00 54.13 53.63 1bqp s LEU 233 Cb -0.12 -1.50 1.77 0.00 0.50 0.00 0.00 46.19 46.84 1bqp s LEU 233 CO -0.07 0.07 2.10 -1.20 -1.32 0.00 0.00 176.35 175.94