#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r8u h ASP 221 N 0.00 0.00 -1.53 3.42 3.58 -2.13 -3.46 116.42 116.29 1r8u h ASP 221 Ca 0.00 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.44 1r8u h ASP 221 Cb 0.00 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.05 1r8u h ASP 221 CO 0.00 0.23 -0.00 2.22 -2.88 0.00 0.00 179.24 178.81 1r8u n PHE 222 N -4.03 -0.54 -1.17 0.28 -1.74 -1.26 -5.17 117.46 103.83 1r8u n PHE 222 Ca -0.02 -0.05 -0.36 0.00 -0.56 0.00 0.00 57.45 56.46 1r8u n PHE 222 Cb 0.30 0.01 0.08 0.00 1.52 0.00 0.00 39.48 41.39 1r8u n PHE 222 CO 0.00 0.00 0.00 -0.89 -0.56 0.00 0.00 176.76 175.31 1r8u n ILE 223 N -0.01 1.37 -4.36 1.97 5.41 -1.26 -5.05 119.36 117.43 1r8u n ILE 223 Ca -0.00 -0.36 -0.25 0.00 1.00 0.00 0.00 62.75 63.14 1r8u n ILE 223 Cb 0.01 -0.69 -0.13 0.00 -0.71 0.00 0.00 39.64 38.13 1r8u n ILE 223 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1r8u s ASP 224 N -1.56 2.60 0.36 4.38 -1.08 -1.26 -5.05 116.67 115.05 1r8u s ASP 224 Ca 0.63 -0.66 0.09 0.00 -0.52 0.00 0.00 52.55 52.09 1r8u s ASP 224 Cb -0.32 -0.16 0.83 0.00 -1.46 0.00 0.00 42.92 41.81 1r8u s ASP 224 CO 0.60 0.09 1.87 1.05 0.52 0.00 0.00 175.17 179.30 1r8u h GLU 225 N 4.20 0.66 0.00 4.34 9.09 -2.00 -0.60 114.58 130.27 1r8u h GLU 225 Ca -0.46 -0.04 -0.10 0.00 0.05 0.00 0.00 59.36 58.81 1r8u h GLU 225 Cb 1.18 -0.15 -0.01 0.00 -1.65 0.00 0.00 28.75 28.11 1r8u h GLU 225 CO 0.40 0.44 -0.50 0.93 0.05 0.00 0.00 179.01 180.33 1r8u h GLU 226 N 0.68 0.00 -0.37 1.06 5.08 -1.99 -2.50 114.58 116.54 1r8u h GLU 226 Ca 0.45 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.75 1r8u h GLU 226 Cb 0.75 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.98 1r8u h GLU 226 CO -0.21 0.50 -0.02 0.28 -1.00 0.00 0.00 179.01 178.56 1r8u h VAL 227 N 0.00 1.26 -0.47 3.13 2.07 -1.53 -0.31 116.25 120.41 1r8u h VAL 227 Ca -0.00 -1.03 -0.12 0.00 0.82 0.00 0.00 66.70 66.37 1r8u h VAL 227 Cb 0.92 1.19 -0.01 0.00 -1.52 0.00 0.00 31.29 31.87 1r8u h VAL 227 CO 0.06 0.34 -0.17 -0.07 0.02 0.00 0.00 177.57 177.76 1r8u h LEU 228 N 0.48 0.95 -1.30 2.57 -0.00 -1.41 -1.60 115.31 115.00 1r8u h LEU 228 Ca 0.10 -0.38 -0.02 0.00 -0.00 0.00 0.00 57.88 57.58 1r8u h LEU 228 Cb 0.49 -0.26 -0.03 0.00 -0.00 0.00 0.00 40.66 40.87 1r8u h LEU 228 CO 0.02 1.12 0.24 0.24 -0.00 0.00 0.00 178.44 180.06 1r8u h MET 229 N 0.78 0.72 -0.51 1.13 2.86 -1.34 0.93 114.93 119.50 1r8u h MET 229 Ca 0.11 -0.09 -0.10 0.00 -2.06 0.00 0.00 59.70 57.56 1r8u h MET 229 Cb 0.73 -0.14 -0.02 0.00 0.06 0.00 0.00 31.60 32.24 1r8u h MET 229 CO 0.06 0.57 -0.10 0.77 1.06 0.00 0.00 176.91 179.27 1r8u h SER 230 N 0.72 0.94 0.06 1.22 0.02 -0.85 -2.55 113.55 113.12 1r8u h SER 230 Ca 0.18 -0.29 -0.14 0.00 -0.84 0.00 0.00 61.79 60.70 1r8u h SER 230 Cb 0.09 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.37 1r8u h SER 230 CO -0.02 1.05 -0.46 0.25 -1.14 0.00 0.00 176.83 176.50 1r8u h LEU 231 N 0.85 0.51 -0.55 5.07 6.46 -0.44 0.33 115.31 127.54 1r8u h LEU 231 Ca 0.14 -0.24 0.06 0.00 -0.12 0.00 0.00 57.88 57.72 1r8u h LEU 231 Cb 0.63 -0.14 -0.05 0.00 -0.73 0.00 0.00 40.66 40.36 1r8u h LEU 231 CO 0.04 0.90 0.25 0.58 -0.62 0.00 0.00 178.44 179.59 1r8u h VAL 232 N 0.38 0.89 -0.24 1.05 2.07 -0.71 -0.05 116.25 119.63 1r8u h VAL 232 Ca 0.02 -0.16 -0.15 0.00 0.82 0.00 0.00 66.70 67.23 1r8u h VAL 232 Cb 0.96 0.37 -0.00 0.00 -1.52 0.00 0.00 31.29 31.10 1r8u h VAL 232 CO 0.08 0.09 -0.42 0.40 0.02 0.00 0.00 177.57 177.74 1r8u h ILE 233 N 0.48 1.31 -0.55 4.57 2.04 -1.27 -0.67 117.51 123.41 1r8u h ILE 233 Ca 0.26 -1.63 0.02 0.00 1.00 0.00 0.00 64.86 64.50 1r8u h ILE 233 Cb 0.22 1.74 -0.03 0.00 -0.74 0.00 0.00 36.82 38.01 1r8u h ILE 233 CO -0.21 0.52 0.35 -0.08 0.00 0.00 0.00 178.15 178.73 1r8u h GLU 234 N 0.44 0.68 0.00 2.37 4.57 -0.55 -2.73 114.58 119.37 1r8u h GLU 234 Ca 0.02 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.16 1r8u h GLU 234 Cb 1.02 -0.15 0.00 0.00 -0.16 0.00 0.00 28.75 29.46 1r8u h GLU 234 CO 0.10 0.45 0.00 0.52 -1.18 0.00 0.00 179.01 178.90 1r8u h MET 235 N 0.70 0.00 -1.40 1.92 2.86 -1.06 -3.48 114.93 114.48 1r8u h MET 235 Ca 0.21 0.00 -0.14 0.00 -2.06 0.00 0.00 59.70 57.71 1r8u h MET 235 Cb -0.03 0.00 0.01 0.00 0.06 0.00 0.00 31.60 31.64 1r8u h MET 235 CO -0.07 0.00 -0.19 0.41 1.06 0.00 0.00 176.91 178.11 1r8u n GLY 236 N 1.09 0.16 0.24 8.32 0.00 -0.46 -4.95 105.19 109.60 1r8u n GLY 236 Ca 0.04 -0.53 0.17 0.00 0.00 0.00 0.00 46.02 45.69 1r8u n GLY 236 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1r8u h LEU 237 N -0.21 0.00 -2.19 0.99 3.38 -1.47 -2.45 115.31 113.35 1r8u h LEU 237 Ca -0.18 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.79 1r8u h LEU 237 Cb 1.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.88 1r8u h LEU 237 CO 0.20 0.00 0.01 -2.24 0.09 0.00 0.00 178.44 176.49 1r8u h ASP 238 N 0.00 0.00 1.26 -0.43 2.03 -1.93 -1.88 116.42 115.46 1r8u h ASP 238 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1r8u h ASP 238 Cb 0.12 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.62 1r8u h ASP 238 CO 0.00 0.00 -0.06 0.54 -1.03 0.00 0.00 179.24 178.69 1r8u n ARG 239 N -2.66 0.18 -1.95 4.15 1.74 -0.92 -4.87 116.66 112.32 1r8u n ARG 239 Ca -0.02 0.13 -0.42 0.00 -0.77 0.00 0.00 57.85 56.78 1r8u n ARG 239 Cb 0.06 -1.69 -0.02 0.00 -1.02 0.00 0.00 32.46 29.78 1r8u n ARG 239 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1r8u s ILE 240 N -3.07 2.57 -0.13 0.55 -1.09 -0.71 -4.93 121.20 114.39 1r8u s ILE 240 Ca 0.11 0.45 0.07 0.00 -2.23 0.00 0.00 60.65 59.05 1r8u s ILE 240 Cb 0.15 -3.29 -0.13 0.00 -1.58 0.00 0.00 42.46 37.61 1r8u s ILE 240 CO 0.59 0.06 -0.04 1.17 -1.23 0.00 0.00 174.94 175.49 1r8u n LYS 241 N 2.92 1.32 -3.67 2.79 3.00 -1.26 -4.97 118.16 118.29 1r8u n LYS 241 Ca 0.10 0.04 -0.10 0.00 -0.00 0.00 0.00 58.31 58.34 1r8u n LYS 241 Cb 0.39 -1.31 -0.10 0.00 0.00 0.00 0.00 35.03 34.01 1r8u n LYS 241 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.40 176.19 1r8u s GLU 242 N -2.30 0.32 0.07 1.64 0.41 -1.26 -5.15 118.70 112.44 1r8u s GLU 242 Ca -0.12 0.92 -0.32 0.00 -0.41 0.00 0.00 54.97 55.04 1r8u s GLU 242 Cb 0.04 0.17 -0.11 0.00 -1.78 0.00 0.00 34.13 32.46 1r8u s GLU 242 CO 0.44 -0.22 1.86 -0.11 -0.49 0.00 0.00 175.26 176.73 1r8u n LEU 243 N 5.01 3.91 -4.76 1.80 7.94 -1.26 -5.01 117.00 124.64 1r8u n LEU 243 Ca -0.13 0.97 -0.29 0.00 -1.11 0.00 0.00 56.01 55.45 1r8u n LEU 243 Cb 0.51 -1.50 0.16 0.00 0.53 0.00 0.00 43.42 43.12 1r8u n LEU 243 CO 0.03 0.11 0.71 -2.16 -1.11 0.00 0.00 177.39 174.97 1r8u s PRO 244 N 3.23 0.64 0.20 1.96 0.04 -1.26 -5.08 135.00 134.73 1r8u s PRO 244 Ca 0.85 0.18 0.02 0.00 0.04 0.00 0.00 61.00 62.09 1r8u s PRO 244 Cb -0.52 -1.79 -0.04 0.00 0.04 0.00 0.00 34.50 32.20 1r8u s PRO 244 CO 0.41 -2.52 0.36 -1.21 0.04 0.00 0.00 177.00 174.08 1r8u s GLU 245 N -5.33 3.47 0.07 4.56 2.02 -1.26 -5.13 118.70 117.11 1r8u s GLU 245 Ca 0.66 -0.52 -0.09 0.00 0.02 0.00 0.00 54.97 55.04 1r8u s GLU 245 Cb -0.13 -2.88 0.00 0.00 0.10 0.00 0.00 34.13 31.22 1r8u s GLU 245 CO 0.54 0.43 0.20 -0.51 0.02 0.00 0.00 175.26 175.94 1r8u s LEU 246 N -3.51 1.37 -0.42 1.80 1.02 -1.26 -5.12 118.68 112.56 1r8u s LEU 246 Ca 0.36 -0.55 0.10 0.00 0.02 0.00 0.00 54.13 54.06 1r8u s LEU 246 Cb -0.10 1.04 0.31 0.00 0.02 0.00 0.00 46.19 47.46 1r8u s LEU 246 CO 0.29 -0.68 0.69 0.79 0.02 0.00 0.00 176.35 177.47 1r8u n TRP 247 N 0.17 0.65 0.31 0.29 7.02 -1.26 -4.94 117.44 119.68 1r8u n TRP 247 Ca -0.16 -3.78 0.18 0.00 -1.02 0.00 0.00 57.50 52.71 1r8u n TRP 247 Cb 0.61 -0.42 1.01 0.00 -2.42 0.00 0.00 31.31 30.10 1r8u n TRP 247 CO 0.00 0.00 0.00 -0.07 -2.02 0.00 0.00 177.69 175.60 1r8u h LEU 248 N 3.37 0.00 -0.42 -0.99 4.07 -1.99 -2.13 115.31 117.22 1r8u h LEU 248 Ca 0.10 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.06 1r8u h LEU 248 Cb 0.87 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.61 1r8u h LEU 248 CO 0.54 0.01 0.00 0.61 -1.08 0.00 0.00 178.44 178.52 1r8u n GLY 249 N -1.18 -0.20 3.13 0.83 0.00 -1.26 -4.75 105.19 101.75 1r8u n GLY 249 Ca -0.03 -0.06 -0.09 0.00 0.00 0.00 0.00 46.02 45.84 1r8u n GLY 249 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1r8u s GLN 250 N -1.74 0.74 0.62 1.61 -1.52 -0.80 -5.05 119.66 113.52 1r8u s GLN 250 Ca 0.04 -1.30 0.34 0.00 -1.95 0.00 0.00 55.36 52.49 1r8u s GLN 250 Cb 0.02 0.07 1.98 0.00 -0.22 0.00 0.00 33.01 34.86 1r8u s GLN 250 CO 0.02 -0.11 2.24 -0.97 -0.25 0.00 0.00 175.29 176.23 1r8u h ASN 251 N 3.03 0.00 -0.13 5.90 -1.24 -1.89 -2.92 115.58 118.33 1r8u h ASN 251 Ca -0.35 0.00 0.04 0.00 0.71 0.00 0.00 56.30 56.70 1r8u h ASN 251 Cb 1.16 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 40.20 1r8u h ASN 251 CO 0.65 0.00 0.11 -0.33 -1.29 0.00 0.00 177.43 176.57 1r8u h GLU 252 N 0.00 0.00 -1.25 6.67 4.39 -1.96 -3.35 114.58 119.07 1r8u h GLU 252 Ca 0.02 0.00 -0.36 0.00 0.34 0.00 0.00 59.36 59.35 1r8u h GLU 252 Cb 0.14 0.00 -0.26 0.00 -0.10 0.00 0.00 28.75 28.53 1r8u h GLU 252 CO -0.00 0.00 -0.74 0.34 -1.16 0.00 0.00 179.01 177.45 1r8u n PHE 253 N -4.18 -2.26 -1.83 4.33 7.35 -1.10 -5.03 117.46 114.73 1r8u n PHE 253 Ca 0.00 -2.41 -0.41 0.00 -0.76 0.00 0.00 57.45 53.88 1r8u n PHE 253 Cb 0.23 0.82 -0.01 0.00 0.35 0.00 0.00 39.48 40.87 1r8u n PHE 253 CO 0.00 0.00 0.00 -3.47 -0.76 0.00 0.00 176.76 172.53 1r8u n ASP 254 N 2.20 6.36 -0.13 -2.13 -0.08 -1.26 -4.24 116.55 117.27 1r8u n ASP 254 Ca 0.19 -2.91 0.11 0.00 -1.51 0.00 0.00 54.79 50.67 1r8u n ASP 254 Cb 0.55 -1.52 0.21 0.00 2.34 0.00 0.00 41.12 42.70 1r8u n ASP 254 CO 0.00 0.00 0.00 2.22 0.12 0.00 0.00 177.20 179.54 1r8u n PHE 255 N 3.92 0.42 -2.25 -0.67 -1.74 -1.26 -1.25 117.46 114.63 1r8u n PHE 255 Ca 0.58 0.49 0.04 0.00 -0.56 0.00 0.00 57.45 58.00 1r8u n PHE 255 Cb 0.31 -0.91 0.08 0.00 1.52 0.00 0.00 39.48 40.48 1r8u n PHE 255 CO 0.00 0.00 0.00 -1.33 -0.56 0.00 0.00 176.76 174.87 1r8u n MET 256 N -4.06 0.62 -0.75 3.97 2.81 -1.26 -5.12 117.12 113.32 1r8u n MET 256 Ca 0.14 -2.50 -0.32 0.00 -1.81 0.00 0.00 57.70 53.21 1r8u n MET 256 Cb 0.47 -0.59 0.14 0.00 -0.71 0.00 0.00 33.22 32.53 1r8u n MET 256 CO 0.00 0.00 0.00 -2.37 1.51 0.00 0.00 175.97 175.11 1r8u n THR 257 N -0.05 0.01 1.12 2.03 5.66 -0.38 -4.90 114.28 117.78 1r8u n THR 257 Ca 0.11 -0.12 0.00 0.00 -3.05 0.00 0.00 64.05 60.99 1r8u n THR 257 Cb 1.00 -0.76 0.00 0.00 -1.55 0.00 0.00 70.33 69.02 1r8u n THR 257 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 1r8u n ASP 258 N -2.41 0.08 -3.94 1.09 2.03 -1.26 -4.69 116.55 107.46 1r8u n ASP 258 Ca 0.09 -1.20 -0.40 0.00 0.52 0.00 0.00 54.79 53.79 1r8u n ASP 258 Cb 0.53 -0.04 -0.03 0.00 -0.72 0.00 0.00 41.12 40.86 1r8u n ASP 258 CO 0.00 0.00 0.00 0.33 -1.92 0.00 0.00 177.20 175.61 1r8u n PHE 259 N -0.41 2.86 0.00 -0.67 7.35 -1.26 -4.25 117.46 121.08 1r8u n PHE 259 Ca 0.00 -2.23 0.00 0.00 -0.76 0.00 0.00 57.45 54.46 1r8u n PHE 259 Cb 0.02 -2.22 0.00 0.00 0.35 0.00 0.00 39.48 37.63 1r8u n PHE 259 CO 0.00 0.00 0.00 1.33 -0.76 0.00 0.00 176.76 177.33 1r8u n VAL 260 N 6.09 0.00 -1.38 -2.13 0.24 -1.26 -5.10 118.33 114.78 1r8u n VAL 260 Ca 0.49 -0.24 -0.30 0.00 -2.04 0.00 0.00 64.34 62.25 1r8u n VAL 260 Cb 0.42 0.92 0.09 0.00 -1.47 0.00 0.00 33.84 33.80 1r8u n VAL 260 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1r8u s LYS 262 N -5.00 4.13 0.52 0.00 2.20 -1.26 -4.93 119.74 115.41 1r8u s LYS 262 Ca 0.61 2.55 0.22 0.00 -0.36 0.00 0.00 55.97 58.99 1r8u s LYS 262 Cb -0.16 -3.02 1.42 0.00 -1.51 0.00 0.00 37.83 34.56 1r8u s LYS 262 CO 0.56 -0.59 2.13 0.37 -0.36 0.00 0.00 175.35 177.45 1r8u h GLN 263 N 4.50 0.00 -2.79 4.03 5.75 -2.03 -3.35 115.11 121.22 1r8u h GLN 263 Ca -0.48 0.00 -0.60 0.00 -0.15 0.00 0.00 58.65 57.42 1r8u h GLN 263 Cb 1.22 0.00 -0.40 0.00 1.07 0.00 0.00 27.48 29.38 1r8u h GLN 263 CO 0.76 0.07 -0.79 -0.65 -2.65 0.00 0.00 178.83 175.57 1r8u s GLN 264 N -4.63 1.20 1.16 1.69 -0.21 -1.26 -5.14 119.66 112.47 1r8u s GLN 264 Ca -0.04 -2.05 -0.16 0.00 0.02 0.00 0.00 55.36 53.12 1r8u s GLN 264 Cb 0.15 -2.07 0.20 0.00 1.00 0.00 0.00 33.01 32.29 1r8u s GLN 264 CO 0.62 -1.23 0.43 -2.30 -2.12 0.00 0.00 175.29 170.68 1r8u n PRO 265 N 3.31 -2.13 -0.01 2.91 -0.02 -1.26 -4.80 135.00 133.00 1r8u n PRO 265 Ca 0.15 -0.60 0.23 0.00 -2.02 0.00 0.00 63.50 61.26 1r8u n PRO 265 Cb 0.38 -1.89 0.71 0.00 -0.02 0.00 0.00 33.50 32.68 1r8u n PRO 265 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1r8u h SER 266 N -2.40 0.00 0.92 2.55 4.64 -2.01 -0.83 113.55 116.41 1r8u h SER 266 Ca -0.58 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.74 1r8u h SER 266 Cb 1.35 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.44 1r8u h SER 266 CO 0.43 0.00 0.00 0.03 -0.87 0.00 0.00 176.83 176.42 1r8u h ARG 267 N 0.00 0.00 0.00 4.77 2.47 -2.05 -3.07 114.38 116.50 1r8u h ARG 267 Ca 0.29 0.00 -0.24 0.00 -1.26 0.00 0.00 59.98 58.77 1r8u h ARG 267 Cb 1.43 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 29.72 1r8u h ARG 267 CO -0.00 0.00 -1.22 0.28 0.56 0.00 0.00 179.97 179.59 1r8u h VAL 268 N 0.00 1.45 0.00 2.04 2.07 -1.45 -3.55 116.25 116.81 1r8u h VAL 268 Ca 0.00 -3.20 0.00 0.00 0.82 0.00 0.00 66.70 64.32 1r8u h VAL 268 Cb 0.46 2.72 0.00 0.00 -1.52 0.00 0.00 31.29 32.95 1r8u h VAL 268 CO 0.00 0.83 0.00 -1.20 0.02 0.00 0.00 177.57 177.22