#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pvx s LYS 202 N 0.00 2.95 0.07 0.03 -0.14 -1.26 -4.88 119.74 116.51 2pvx s LYS 202 Ca 0.00 -1.01 0.08 0.00 -1.36 0.00 0.00 55.97 53.67 2pvx s LYS 202 Cb 0.00 -2.74 -0.03 0.00 -1.68 0.00 0.00 37.83 33.38 2pvx s LYS 202 CO 0.00 -0.18 -0.20 0.15 -0.76 0.00 0.00 175.35 174.36 2pvx s LYS 203 N -4.34 1.22 -0.01 1.68 1.02 -1.26 -1.40 119.74 116.64 2pvx s LYS 203 Ca 0.50 -1.05 0.03 0.00 0.02 0.00 0.00 55.97 55.47 2pvx s LYS 203 Cb -0.10 -1.41 -0.01 0.00 -0.52 0.00 0.00 37.83 35.80 2pvx s LYS 203 CO 0.33 0.34 -0.10 -1.58 -0.92 0.00 0.00 175.35 173.43 2pvx s TRP 204 N -1.00 0.91 -0.11 3.18 0.52 0.03 -0.54 118.94 121.93 2pvx s TRP 204 Ca 0.06 -0.18 -0.03 0.00 0.02 0.00 0.00 56.10 55.97 2pvx s TRP 204 Cb -0.09 -0.60 -0.03 0.00 -1.15 0.00 0.00 33.47 31.59 2pvx s TRP 204 CO 0.03 -0.03 -0.01 0.54 0.02 0.00 0.00 176.95 177.50 2pvx s VAL 205 N -0.15 4.20 -0.17 4.03 0.11 0.34 -0.60 120.40 128.16 2pvx s VAL 205 Ca 0.02 -0.27 -0.29 0.00 -2.93 0.00 0.00 61.98 58.51 2pvx s VAL 205 Cb -0.05 -2.79 -0.02 0.00 -1.53 0.00 0.00 36.38 31.99 2pvx s VAL 205 CO -0.00 0.56 1.44 0.00 -3.33 0.00 0.00 175.10 173.77 2pvx n THR 207 N 5.77 0.22 -0.10 0.00 -2.24 -0.18 -0.59 114.28 117.16 2pvx n THR 207 Ca 0.16 0.05 -0.19 0.00 -2.27 0.00 0.00 64.05 61.80 2pvx n THR 207 Cb 0.45 -0.69 -0.09 0.00 -2.10 0.00 0.00 70.33 67.90 2pvx n THR 207 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 2pvx n VAL 208 N -1.20 1.51 0.04 2.28 0.31 -1.26 -4.79 118.33 115.21 2pvx n VAL 208 Ca 0.12 -0.04 0.00 0.00 -0.01 0.00 0.00 64.34 64.41 2pvx n VAL 208 Cb 0.15 -2.10 -0.00 0.00 -0.91 0.00 0.00 33.84 30.98 2pvx n VAL 208 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2pvx n GLY 210 N 0.87 0.91 3.64 0.00 0.00 0.25 -5.02 105.19 105.84 2pvx n GLY 210 Ca 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.57 2pvx n GLY 210 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 2pvx n TYR 211 N -2.00 1.83 -3.58 1.61 4.19 -1.26 -4.54 117.16 113.40 2pvx n TYR 211 Ca 0.00 0.56 -0.39 0.00 3.31 0.00 0.00 57.90 61.38 2pvx n TYR 211 Cb 0.00 -2.37 -0.11 0.00 0.49 0.00 0.00 39.34 37.35 2pvx n TYR 211 CO 0.00 0.00 0.00 0.42 0.91 0.00 0.00 176.86 178.19 2pvx s ILE 212 N -0.48 5.15 -0.25 2.97 -1.09 -1.26 -0.52 121.20 125.71 2pvx s ILE 212 Ca 0.65 -0.10 -0.24 0.00 -2.23 0.00 0.00 60.65 58.73 2pvx s ILE 212 Cb -0.69 -3.56 -0.00 0.00 -1.58 0.00 0.00 42.46 36.63 2pvx s ILE 212 CO 0.55 0.11 0.81 -0.47 -1.23 0.00 0.00 174.94 174.71 2pvx s TYR 213 N 1.72 3.29 -0.30 3.97 5.04 0.23 -4.93 117.35 126.37 2pvx s TYR 213 Ca 0.06 1.06 -0.08 0.00 -2.44 0.00 0.00 57.07 55.67 2pvx s TYR 213 Cb -0.17 -3.07 -0.00 0.00 0.35 0.00 0.00 41.96 39.07 2pvx s TYR 213 CO 0.10 -0.43 0.12 0.34 -1.34 0.00 0.00 175.55 174.34 2pvx s ASP 214 N 1.40 5.35 0.43 4.32 -1.08 -1.26 -0.79 116.67 125.04 2pvx s ASP 214 Ca 0.34 -0.54 0.13 0.00 -0.52 0.00 0.00 52.55 51.96 2pvx s ASP 214 Cb -0.15 -1.95 1.01 0.00 -1.46 0.00 0.00 42.92 40.37 2pvx s ASP 214 CO 0.08 -0.17 1.99 -0.33 0.52 0.00 0.00 175.17 177.26 2pvx h GLU 215 N 8.30 0.41 -0.66 4.34 5.08 -1.48 -0.05 114.58 130.53 2pvx h GLU 215 Ca -0.33 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.00 2pvx h GLU 215 Cb 1.14 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 30.27 2pvx h GLU 215 CO 0.61 0.27 0.37 -0.44 -1.00 0.00 0.00 179.01 178.82 2pvx h ASP 216 N 0.42 0.80 0.77 1.42 3.45 -1.88 0.13 116.42 121.53 2pvx h ASP 216 Ca 0.26 -0.06 -0.25 0.00 0.43 0.00 0.00 57.03 57.41 2pvx h ASP 216 Cb 0.46 -0.20 -0.04 0.00 -0.56 0.00 0.00 39.33 38.99 2pvx h ASP 216 CO -0.07 0.64 -1.31 0.00 -1.57 0.00 0.00 179.24 176.93 2pvx h ALA 217 N 1.50 0.53 -0.77 3.45 0.00 -1.41 -3.00 119.26 119.56 2pvx h ALA 217 Ca 0.23 -1.15 0.00 0.00 0.00 0.00 0.00 54.91 53.99 2pvx h ALA 217 Cb 0.01 0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.92 2pvx h ALA 217 CO -0.04 1.39 0.00 0.41 0.00 0.00 0.00 179.25 181.01 2pvx n GLY 218 N 1.44 2.10 2.75 0.00 0.00 -0.66 -3.96 105.19 106.86 2pvx n GLY 218 Ca -0.07 -0.42 -0.06 0.00 0.00 0.00 0.00 46.02 45.46 2pvx n GLY 218 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2pvx n ASP 219 N -0.81 -3.22 0.09 1.61 2.03 -0.03 -4.78 116.55 111.45 2pvx n ASP 219 Ca 0.00 -3.08 0.03 0.00 0.52 0.00 0.00 54.79 52.26 2pvx n ASP 219 Cb 0.00 1.78 0.41 0.00 -0.72 0.00 0.00 41.12 42.59 2pvx n ASP 219 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 2pvx h PRO 220 N 4.58 0.33 0.00 -0.67 0.11 -1.60 -1.41 132.00 133.35 2pvx h PRO 220 Ca -0.03 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.03 2pvx h PRO 220 Cb 1.08 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.13 2pvx h PRO 220 CO 0.15 0.36 0.00 -3.47 -0.21 0.00 0.00 178.00 174.82 2pvx n ASP 221 N -4.36 0.00 -0.52 -2.05 2.03 -1.26 -2.37 116.55 108.02 2pvx n ASP 221 Ca 0.00 0.39 0.07 0.00 0.52 0.00 0.00 54.79 55.78 2pvx n ASP 221 Cb 0.19 -0.45 0.19 0.00 -0.72 0.00 0.00 41.12 40.33 2pvx n ASP 221 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 2pvx n ASN 222 N -1.45 2.79 0.00 1.67 2.85 -0.61 -4.96 115.26 115.55 2pvx n ASN 222 Ca 0.06 -3.24 0.00 0.00 -0.11 0.00 0.00 54.58 51.29 2pvx n ASN 222 Cb 0.21 -0.50 0.00 0.00 1.24 0.00 0.00 39.78 40.73 2pvx n ASN 222 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2pvx n GLY 223 N -1.07 0.73 3.23 8.20 0.00 -1.00 -5.01 105.19 110.27 2pvx n GLY 223 Ca 0.20 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.84 2pvx n GLY 223 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2pvx s ILE 224 N -2.42 3.82 0.62 -0.61 -1.09 -0.75 -4.99 121.20 115.79 2pvx s ILE 224 Ca 0.00 -1.47 -0.18 0.00 -2.23 0.00 0.00 60.65 56.76 2pvx s ILE 224 Cb 0.00 -3.34 -0.02 0.00 -1.58 0.00 0.00 42.46 37.51 2pvx s ILE 224 CO 0.00 -0.43 1.26 -0.44 -1.23 0.00 0.00 174.94 174.09 2pvx s SER 225 N 1.83 4.89 0.51 3.58 0.01 -1.26 -0.85 113.70 122.41 2pvx s SER 225 Ca 0.02 2.52 -0.22 0.00 1.31 0.00 0.00 55.95 59.59 2pvx s SER 225 Cb -0.22 -2.61 -0.07 0.00 0.21 0.00 0.00 66.02 63.33 2pvx s SER 225 CO 0.01 -1.81 1.05 -2.65 0.41 0.00 0.00 173.24 170.25 2pvx n PRO 226 N -1.73 1.26 -0.85 12.44 -0.02 -1.25 -2.69 135.00 142.16 2pvx n PRO 226 Ca 0.15 0.47 0.00 0.00 -2.02 0.00 0.00 63.50 62.09 2pvx n PRO 226 Cb 0.49 -2.19 0.00 0.00 -0.02 0.00 0.00 33.50 31.77 2pvx n PRO 226 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2pvx n GLY 227 N 1.14 0.52 3.60 -1.23 0.00 0.43 -4.85 105.19 104.80 2pvx n GLY 227 Ca 0.11 -0.49 -0.42 0.00 0.00 0.00 0.00 46.02 45.21 2pvx n GLY 227 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2pvx s THR 228 N -2.00 4.64 0.49 2.61 2.01 -1.09 -4.93 115.64 117.36 2pvx s THR 228 Ca 0.00 1.08 -0.23 0.00 0.31 0.00 0.00 61.69 62.85 2pvx s THR 228 Cb 0.00 -4.29 -0.07 0.00 0.01 0.00 0.00 72.50 68.15 2pvx s THR 228 CO 0.00 -0.50 1.36 -0.54 -0.69 0.00 0.00 174.62 174.25 2pvx s LYS 229 N 3.35 3.45 0.26 4.92 1.02 -1.26 -4.58 119.74 126.89 2pvx s LYS 229 Ca 0.36 2.26 -0.02 0.00 0.02 0.00 0.00 55.97 58.58 2pvx s LYS 229 Cb -0.12 -2.45 0.47 0.00 -0.52 0.00 0.00 37.83 35.20 2pvx s LYS 229 CO 0.18 -0.95 1.80 0.35 -0.92 0.00 0.00 175.35 175.81 2pvx h PHE 230 N 1.91 0.88 0.00 3.18 3.04 -1.95 0.82 116.94 124.82 2pvx h PHE 230 Ca -0.51 0.03 -0.01 0.00 3.98 0.00 0.00 57.97 61.47 2pvx h PHE 230 Cb 1.28 -0.26 -0.00 0.00 2.56 0.00 0.00 35.95 39.52 2pvx h PHE 230 CO 0.49 0.31 -0.03 0.93 -2.02 0.00 0.00 178.31 177.99 2pvx h GLU 231 N 0.77 0.00 -0.01 1.11 3.07 -2.02 -1.65 114.58 115.86 2pvx h GLU 231 Ca 0.44 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.30 2pvx h GLU 231 Cb 0.48 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.39 2pvx h GLU 231 CO -0.29 0.03 -0.10 0.39 -1.40 0.00 0.00 179.01 177.65 2pvx n GLU 232 N -4.16 1.24 -1.84 2.33 1.02 0.26 -4.88 120.64 114.61 2pvx n GLU 232 Ca -0.03 -0.67 -0.37 0.00 -0.02 0.00 0.00 57.16 56.07 2pvx n GLU 232 Cb 0.12 -1.49 0.05 0.00 -0.02 0.00 0.00 31.44 30.10 2pvx n GLU 232 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2pvx s LEU 233 N -2.22 3.66 0.47 -4.62 1.43 -0.62 -4.92 118.68 111.86 2pvx s LEU 233 Ca 0.33 2.58 -0.23 0.00 -1.03 0.00 0.00 54.13 55.78 2pvx s LEU 233 Cb 0.20 -4.54 -0.09 0.00 0.03 0.00 0.00 46.19 41.80 2pvx s LEU 233 CO 0.42 -1.78 0.98 -2.65 0.23 0.00 0.00 176.35 173.54 2pvx n PRO 234 N -1.61 1.22 -0.11 1.29 -0.02 -1.26 -4.84 135.00 129.67 2pvx n PRO 234 Ca 0.14 0.45 0.22 0.00 -2.02 0.00 0.00 63.50 62.29 2pvx n PRO 234 Cb 0.48 -2.07 0.65 0.00 -0.02 0.00 0.00 33.50 32.54 2pvx n PRO 234 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 2pvx h ASP 235 N 1.24 0.11 -0.66 2.55 3.32 -1.94 -0.64 116.42 120.41 2pvx h ASP 235 Ca -0.46 0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.60 2pvx h ASP 235 Cb 1.35 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.88 2pvx h ASP 235 CO 0.55 0.05 0.00 -0.90 -1.72 0.00 0.00 179.24 177.22 2pvx n ASP 236 N -4.37 4.39 -4.76 6.45 5.75 -1.26 -4.76 116.55 117.98 2pvx n ASP 236 Ca 0.14 -2.31 -0.39 0.00 -0.01 0.00 0.00 54.79 52.23 2pvx n ASP 236 Cb 0.72 -0.54 0.01 0.00 -1.03 0.00 0.00 41.12 40.28 2pvx n ASP 236 CO 0.00 0.00 0.00 0.86 -0.11 0.00 0.00 177.20 177.95 2pvx s TRP 237 N -1.61 2.58 0.14 2.11 -0.00 -0.25 -5.01 118.94 116.90 2pvx s TRP 237 Ca 0.49 1.35 0.05 0.00 -0.00 0.00 0.00 56.10 57.99 2pvx s TRP 237 Cb 0.30 -3.78 -0.04 0.00 -0.00 0.00 0.00 33.47 29.95 2pvx s TRP 237 CO 0.26 -2.55 -0.12 0.14 -0.00 0.00 0.00 176.95 174.69 2pvx s VAL 238 N -1.26 1.31 0.12 5.86 -7.23 -1.26 -3.67 120.40 114.26 2pvx s VAL 238 Ca 0.61 -1.93 -0.34 0.00 -1.81 0.00 0.00 61.98 58.51 2pvx s VAL 238 Cb -0.40 -1.73 -0.14 0.00 0.56 0.00 0.00 36.38 34.67 2pvx s VAL 238 CO 0.51 -0.59 1.63 0.00 -0.31 0.00 0.00 175.10 176.34 2pvx h PRO 240 N 6.45 0.00 0.02 0.00 0.11 -1.96 -1.22 132.00 135.40 2pvx h PRO 240 Ca -0.45 0.00 -0.39 0.00 0.11 0.00 0.00 66.00 65.27 2pvx h PRO 240 Cb 1.26 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.31 2pvx h PRO 240 CO 0.90 0.02 -2.27 1.28 -0.21 0.00 0.00 178.00 177.72 2pvx n LEU 241 N -3.27 2.52 -0.02 2.35 4.77 -1.26 -4.74 117.00 117.35 2pvx n LEU 241 Ca -0.02 0.12 0.03 0.00 -0.03 0.00 0.00 56.01 56.11 2pvx n LEU 241 Cb 0.15 -0.93 -0.03 0.00 -2.33 0.00 0.00 43.42 40.27 2pvx n LEU 241 CO 0.24 0.75 0.01 0.00 -1.33 0.00 0.00 177.39 177.06 2pvx n GLY 243 N 1.10 0.82 3.81 0.00 0.00 -0.46 -4.98 105.19 105.48 2pvx n GLY 243 Ca 0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.73 2pvx n GLY 243 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pvx s VAL 244 N -3.19 3.43 0.79 1.61 0.11 -1.26 -4.48 120.40 117.41 2pvx s VAL 244 Ca 0.00 0.46 -0.07 0.00 -2.93 0.00 0.00 61.98 59.44 2pvx s VAL 244 Cb 0.00 -3.19 0.12 0.00 -1.53 0.00 0.00 36.38 31.78 2pvx s VAL 244 CO 0.00 -0.61 1.10 -0.83 -3.33 0.00 0.00 175.10 171.43 2pvx s GLY 245 N -3.83 1.74 0.47 6.54 0.00 -1.26 -0.32 107.32 110.67 2pvx s GLY 245 Ca 0.60 -1.27 0.20 0.00 0.00 0.00 0.00 44.72 44.24 2pvx s GLY 245 CO 0.55 -0.71 1.94 0.50 0.00 0.00 0.00 173.10 175.38 2pvx h LYS 246 N -0.89 0.24 0.00 2.90 1.57 -1.86 -1.88 116.57 116.66 2pvx h LYS 246 Ca -0.42 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.35 2pvx h LYS 246 Cb 1.28 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.53 2pvx h LYS 246 CO 0.47 0.16 0.00 -0.44 -0.57 0.00 0.00 179.45 179.07 2pvx h ASP 247 N 0.25 0.00 -0.58 0.86 3.45 -1.93 -2.03 116.42 116.43 2pvx h ASP 247 Ca 0.33 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.79 2pvx h ASP 247 Cb 0.95 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.72 2pvx h ASP 247 CO -0.07 0.00 0.00 0.00 -1.57 0.00 0.00 179.24 177.60 2pvx n GLN 248 N -3.02 2.36 -3.86 3.56 3.00 -0.70 -4.90 117.38 113.81 2pvx n GLN 248 Ca -0.02 -2.11 -0.33 0.00 -0.01 0.00 0.00 57.00 54.53 2pvx n GLN 248 Cb 0.11 -1.46 -0.05 0.00 0.00 0.00 0.00 30.24 28.85 2pvx n GLN 248 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.06 177.00 2pvx s PHE 249 N -1.22 3.54 -0.03 1.08 0.08 -0.76 -1.00 117.98 119.65 2pvx s PHE 249 Ca 0.39 0.39 0.06 0.00 0.12 0.00 0.00 56.93 57.89 2pvx s PHE 249 Cb 0.20 -1.86 -0.01 0.00 -0.57 0.00 0.00 43.02 40.78 2pvx s PHE 249 CO 0.27 0.61 -0.21 -1.21 -0.10 0.00 0.00 175.22 174.58 2pvx s GLU 250 N -2.08 1.94 0.21 0.44 0.41 -0.35 -4.92 118.70 114.34 2pvx s GLU 250 Ca 0.30 -0.75 -0.30 0.00 -0.41 0.00 0.00 54.97 53.81 2pvx s GLU 250 Cb -0.13 -1.75 -0.09 0.00 -1.78 0.00 0.00 34.13 30.39 2pvx s GLU 250 CO 0.21 0.38 1.23 0.21 -0.49 0.00 0.00 175.26 176.79 2pvx s LYS 251 N -0.26 4.47 0.42 1.61 2.20 -1.26 -0.50 119.74 126.42 2pvx s LYS 251 Ca 0.02 1.94 -0.24 0.00 -0.36 0.00 0.00 55.97 57.33 2pvx s LYS 251 Cb -0.11 -3.21 -0.08 0.00 -1.51 0.00 0.00 37.83 32.92 2pvx s LYS 251 CO 0.01 -0.11 1.17 -0.51 -0.36 0.00 0.00 175.35 175.55 2pvx s LEU 252 N -0.44 4.12 0.55 5.43 1.02 0.30 -4.89 118.68 124.76 2pvx s LEU 252 Ca 0.53 2.33 -0.22 0.00 0.02 0.00 0.00 54.13 56.79 2pvx s LEU 252 Cb -0.34 -4.11 -0.05 0.00 0.02 0.00 0.00 46.19 41.71 2pvx s LEU 252 CO 0.39 -0.77 1.36 -0.62 0.02 0.00 0.00 176.35 176.72 2pvx n GLU 253 N -0.16 1.70 0.00 1.70 -0.58 -1.26 -4.82 120.64 117.23 2pvx n GLU 253 Ca 0.05 0.62 0.03 0.00 -0.42 0.00 0.00 57.16 57.45 2pvx n GLU 253 Cb 0.47 -2.57 0.18 0.00 -0.57 0.00 0.00 31.44 28.94 2pvx n GLU 253 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40