#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r8u n ASP 221 N 0.00 0.01 -4.86 8.00 2.03 -1.26 -5.11 116.55 115.37 1r8u n ASP 221 Ca 0.00 -0.24 -0.30 0.00 0.52 0.00 0.00 54.79 54.77 1r8u n ASP 221 Cb 0.00 0.44 0.07 0.00 -0.72 0.00 0.00 41.12 40.92 1r8u n ASP 221 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 1r8u s PHE 222 N -0.44 3.05 0.86 -0.67 5.36 -1.26 -5.07 117.98 119.80 1r8u s PHE 222 Ca 0.00 1.00 -0.10 0.00 -0.96 0.00 0.00 56.93 56.87 1r8u s PHE 222 Cb 0.00 -3.20 0.11 0.00 -0.34 0.00 0.00 43.02 39.59 1r8u s PHE 222 CO 0.00 -1.56 1.13 0.42 -1.46 0.00 0.00 175.22 173.74 1r8u s ILE 223 N -3.34 2.56 0.10 3.12 1.01 -1.26 -5.09 121.20 118.30 1r8u s ILE 223 Ca 0.60 0.18 0.04 0.00 0.00 0.00 0.00 60.65 61.47 1r8u s ILE 223 Cb -0.12 -2.39 -0.04 0.00 0.01 0.00 0.00 42.46 39.92 1r8u s ILE 223 CO 0.52 -0.24 -0.11 -0.62 0.00 0.00 0.00 174.94 174.49 1r8u s ASP 224 N -2.96 1.57 0.32 3.58 -1.08 -1.26 -5.04 116.67 111.80 1r8u s ASP 224 Ca 0.65 -0.82 0.04 0.00 -0.52 0.00 0.00 52.55 51.89 1r8u s ASP 224 Cb -0.21 -0.01 0.65 0.00 -1.46 0.00 0.00 42.92 41.90 1r8u s ASP 224 CO 0.57 -0.24 1.89 1.05 0.52 0.00 0.00 175.17 178.95 1r8u h GLU 225 N 3.51 0.86 0.00 4.34 4.11 -2.00 -0.87 114.58 124.53 1r8u h GLU 225 Ca -0.38 -0.05 -0.03 0.00 0.07 0.00 0.00 59.36 58.97 1r8u h GLU 225 Cb 1.19 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 30.24 1r8u h GLU 225 CO 0.53 0.57 -0.16 0.93 0.07 0.00 0.00 179.01 180.95 1r8u h GLU 226 N 0.88 0.00 -0.29 1.06 5.08 -1.98 -2.29 114.58 117.04 1r8u h GLU 226 Ca 0.42 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.69 1r8u h GLU 226 Cb 0.44 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 1r8u h GLU 226 CO -0.19 0.16 -0.19 0.28 -1.00 0.00 0.00 179.01 178.06 1r8u h VAL 227 N 0.00 1.30 -0.46 3.13 2.07 -1.57 0.00 116.25 120.72 1r8u h VAL 227 Ca -0.00 -1.32 -0.13 0.00 0.82 0.00 0.00 66.70 66.07 1r8u h VAL 227 Cb 0.80 1.53 -0.01 0.00 -1.52 0.00 0.00 31.29 32.09 1r8u h VAL 227 CO 0.02 0.42 -0.20 -0.07 0.02 0.00 0.00 177.57 177.76 1r8u h LEU 228 N 0.38 0.98 -1.30 2.57 -0.00 -1.39 -1.48 115.31 115.06 1r8u h LEU 228 Ca 0.06 -0.39 -0.01 0.00 -0.00 0.00 0.00 57.88 57.53 1r8u h LEU 228 Cb 0.73 -0.27 -0.03 0.00 -0.00 0.00 0.00 40.66 41.10 1r8u h LEU 228 CO 0.05 1.16 0.32 0.24 -0.00 0.00 0.00 178.44 180.21 1r8u h MET 229 N 0.80 0.80 -0.47 1.13 2.86 -1.33 0.10 114.93 118.82 1r8u h MET 229 Ca 0.11 -0.08 -0.12 0.00 -2.06 0.00 0.00 59.70 57.54 1r8u h MET 229 Cb 0.77 -0.16 -0.01 0.00 0.06 0.00 0.00 31.60 32.26 1r8u h MET 229 CO 0.06 0.58 -0.19 0.77 1.06 0.00 0.00 176.91 179.20 1r8u h SER 230 N 0.81 0.98 0.17 1.22 0.02 -0.79 -2.50 113.55 113.45 1r8u h SER 230 Ca 0.21 -0.39 -0.11 0.00 -0.84 0.00 0.00 61.79 60.65 1r8u h SER 230 Cb 0.02 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.27 1r8u h SER 230 CO -0.03 1.15 -0.41 0.25 -1.14 0.00 0.00 176.83 176.65 1r8u h LEU 231 N 0.80 0.33 -0.34 5.07 6.46 -0.62 0.09 115.31 127.09 1r8u h LEU 231 Ca 0.11 -0.14 0.04 0.00 -0.12 0.00 0.00 57.88 57.77 1r8u h LEU 231 Cb 0.76 -0.09 -0.04 0.00 -0.73 0.00 0.00 40.66 40.57 1r8u h LEU 231 CO 0.06 0.70 0.13 0.58 -0.62 0.00 0.00 178.44 179.29 1r8u h VAL 232 N 0.26 0.91 -0.28 1.05 2.07 -0.73 -0.24 116.25 119.30 1r8u h VAL 232 Ca 0.02 -0.09 -0.15 0.00 0.82 0.00 0.00 66.70 67.30 1r8u h VAL 232 Cb 0.84 0.61 -0.01 0.00 -1.52 0.00 0.00 31.29 31.21 1r8u h VAL 232 CO 0.07 0.05 -0.43 0.40 0.02 0.00 0.00 177.57 177.68 1r8u h ILE 233 N 0.28 1.29 -0.25 4.57 2.04 -1.19 0.15 117.51 124.40 1r8u h ILE 233 Ca 0.15 -1.61 -0.01 0.00 1.00 0.00 0.00 64.86 64.39 1r8u h ILE 233 Cb 0.12 1.53 -0.01 0.00 -0.74 0.00 0.00 36.82 37.72 1r8u h ILE 233 CO -0.15 0.52 0.12 -0.08 0.00 0.00 0.00 178.15 178.56 1r8u h GLU 234 N 0.57 0.36 0.00 2.37 4.57 -0.64 -3.10 114.58 118.71 1r8u h GLU 234 Ca 0.04 -0.05 -0.09 0.00 -1.18 0.00 0.00 59.36 58.08 1r8u h GLU 234 Cb 0.98 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 29.49 1r8u h GLU 234 CO 0.09 0.35 -0.41 0.52 -1.18 0.00 0.00 179.01 178.38 1r8u h MET 235 N 0.28 0.00 0.00 1.92 2.86 -1.05 -3.48 114.93 115.45 1r8u h MET 235 Ca 0.09 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.73 1r8u h MET 235 Cb 0.11 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.77 1r8u h MET 235 CO -0.01 0.41 0.00 0.41 1.06 0.00 0.00 176.91 178.78 1r8u n GLY 236 N 1.17 0.59 0.26 8.32 0.00 0.30 -4.99 105.19 110.85 1r8u n GLY 236 Ca 0.02 -0.78 0.18 0.00 0.00 0.00 0.00 46.02 45.44 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 0.00 0.00 -1.37 0.99 3.38 -1.25 -2.63 115.31 114.43 1r8u h LEU 237 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1r8u h LEU 237 Cb 0.76 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.51 1r8u h LEU 237 CO 0.00 0.00 0.00 -2.24 0.09 0.00 0.00 178.44 176.29 1r8u h ASP 238 N 0.00 0.00 -0.02 -0.43 2.03 -1.95 -2.24 116.42 113.81 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 0.31 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.81 1r8u h ASP 238 CO 0.00 0.00 -0.08 0.54 -1.03 0.00 0.00 179.24 178.67 1r8u n ARG 239 N -2.35 2.10 -1.87 4.15 1.74 -0.99 -4.96 116.66 114.48 1r8u n ARG 239 Ca -0.01 -1.71 -0.42 0.00 -0.77 0.00 0.00 57.85 54.94 1r8u n ARG 239 Cb 0.10 -1.46 -0.03 0.00 -1.02 0.00 0.00 32.46 30.04 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 -2.08 2.45 -0.21 0.55 -1.09 -0.84 -4.93 121.20 115.05 1r8u s ILE 240 Ca 0.27 0.32 -0.12 0.00 -2.23 0.00 0.00 60.65 58.90 1r8u s ILE 240 Cb 0.20 -3.21 -0.19 0.00 -1.58 0.00 0.00 42.46 37.68 1r8u s ILE 240 CO 0.35 0.02 0.06 1.17 -1.23 0.00 0.00 174.94 175.31 1r8u n LYS 241 N 3.98 0.64 -3.57 2.79 3.00 -1.26 -4.92 118.16 118.82 1r8u n LYS 241 Ca 0.14 0.34 -0.14 0.00 -0.00 0.00 0.00 58.31 58.66 1r8u n LYS 241 Cb 0.37 -1.64 -0.12 0.00 0.00 0.00 0.00 35.03 33.64 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 -2.48 0.20 -0.16 1.64 2.02 -1.26 -5.14 118.70 113.52 1r8u s GLU 242 Ca -0.30 0.60 -0.39 0.00 0.02 0.00 0.00 54.97 54.90 1r8u s GLU 242 Cb 0.09 -0.37 -0.16 0.00 0.10 0.00 0.00 34.13 33.79 1r8u s GLU 242 CO 0.63 -0.43 1.64 -0.11 0.02 0.00 0.00 175.26 177.01 1r8u n LEU 243 N 5.35 2.25 -4.73 1.80 7.94 -1.26 -4.99 117.00 123.36 1r8u n LEU 243 Ca -0.06 1.08 -0.30 0.00 -1.11 0.00 0.00 56.01 55.63 1r8u n LEU 243 Cb 0.50 -1.17 0.20 0.00 0.53 0.00 0.00 43.42 43.48 1r8u n LEU 243 CO 0.04 -0.58 0.71 -2.16 -1.11 0.00 0.00 177.39 174.30 1r8u s PRO 244 N 2.71 -0.14 0.13 1.96 0.04 -1.26 -5.08 135.00 133.35 1r8u s PRO 244 Ca 0.94 -0.05 0.04 0.00 0.04 0.00 0.00 61.00 61.97 1r8u s PRO 244 Cb -1.01 -1.72 -0.04 0.00 0.04 0.00 0.00 34.50 31.77 1r8u s PRO 244 CO 0.59 -2.99 0.12 -1.21 0.04 0.00 0.00 177.00 173.55 1r8u s GLU 245 N -5.48 2.93 0.03 4.56 2.02 -1.26 -5.14 118.70 116.36 1r8u s GLU 245 Ca 0.70 -0.78 -0.08 0.00 0.02 0.00 0.00 54.97 54.84 1r8u s GLU 245 Cb -0.10 -2.70 -0.00 0.00 0.10 0.00 0.00 34.13 31.43 1r8u s GLU 245 CO 0.55 0.52 0.15 -0.51 0.02 0.00 0.00 175.26 175.99 1r8u s LEU 246 N -2.82 1.53 -0.45 1.80 1.02 -1.26 -5.11 118.68 113.39 1r8u s LEU 246 Ca 0.31 -0.36 0.09 0.00 0.02 0.00 0.00 54.13 54.19 1r8u s LEU 246 Cb -0.11 0.78 0.32 0.00 0.02 0.00 0.00 46.19 47.21 1r8u s LEU 246 CO 0.23 -0.49 0.76 0.79 0.02 0.00 0.00 176.35 177.66 1r8u n TRP 247 N 0.95 1.37 0.24 0.29 7.02 -1.26 -4.95 117.44 121.10 1r8u n TRP 247 Ca -0.20 -3.85 0.14 0.00 -1.02 0.00 0.00 57.50 52.57 1r8u n TRP 247 Cb 0.58 -0.44 0.80 0.00 -2.42 0.00 0.00 31.31 29.82 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 3.23 0.00 -0.57 -0.99 4.07 -2.00 -2.19 115.31 116.87 1r8u h LEU 248 Ca 0.11 0.00 -0.16 0.00 0.08 0.00 0.00 57.88 57.92 1r8u h LEU 248 Cb 0.81 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.54 1r8u h LEU 248 CO 0.60 0.00 -0.56 1.23 -1.08 0.00 0.00 178.44 178.63 1r8u h GLY 249 N 0.00 0.51 -1.34 0.83 0.00 -1.92 -3.44 103.07 97.71 1r8u h GLY 249 Ca 0.05 -0.60 -0.50 0.00 0.00 0.00 0.00 47.33 46.28 1r8u h GLY 249 CO -0.00 0.53 0.39 1.20 0.00 0.00 0.00 176.54 178.66 1r8u s GLN 250 N -3.93 3.38 0.59 4.80 -1.52 -0.82 -4.98 119.66 117.18 1r8u s GLN 250 Ca -0.06 0.60 0.36 0.00 -1.95 0.00 0.00 55.36 54.31 1r8u s GLN 250 Cb 0.11 -2.10 1.87 0.00 -0.22 0.00 0.00 33.01 32.68 1r8u s GLN 250 CO 0.83 -0.67 2.20 -0.97 -0.25 0.00 0.00 175.29 176.43 1r8u h ASN 251 N -0.36 0.00 -0.66 5.90 -0.73 -1.89 -3.21 115.58 114.63 1r8u h ASN 251 Ca -0.45 0.00 0.16 0.00 1.87 0.00 0.00 56.30 57.88 1r8u h ASN 251 Cb 1.21 0.00 -0.04 0.00 0.27 0.00 0.00 38.32 39.76 1r8u h ASN 251 CO 0.62 0.04 0.46 -0.33 -0.37 0.00 0.00 177.43 177.85 1r8u h GLU 252 N 0.00 0.20 -1.88 6.67 4.39 -1.94 -3.36 114.58 118.66 1r8u h GLU 252 Ca -0.00 -0.01 -0.39 0.00 0.34 0.00 0.00 59.36 59.30 1r8u h GLU 252 Cb 0.20 -0.04 -0.30 0.00 -0.10 0.00 0.00 28.75 28.50 1r8u h GLU 252 CO 0.00 0.13 -0.74 0.12 -1.16 0.00 0.00 179.01 177.37 1r8u s PHE 253 N -5.20 -0.14 -1.31 4.33 5.36 -1.21 -5.05 117.98 114.76 1r8u s PHE 253 Ca -0.06 -1.25 -0.18 0.00 -0.96 0.00 0.00 56.93 54.47 1r8u s PHE 253 Cb 0.20 -0.41 0.06 0.00 -0.34 0.00 0.00 43.02 42.53 1r8u s PHE 253 CO 0.75 -0.99 1.81 -3.47 -1.46 0.00 0.00 175.22 171.86 1r8u n ASP 254 N 3.51 4.68 -0.24 6.13 -0.08 -1.26 -4.30 116.55 124.99 1r8u n ASP 254 Ca 0.19 -2.90 0.30 0.00 -1.51 0.00 0.00 54.79 50.87 1r8u n ASP 254 Cb 0.48 -1.73 0.47 0.00 2.34 0.00 0.00 41.12 42.68 1r8u n ASP 254 CO 0.00 0.00 0.00 2.19 0.12 0.00 0.00 177.20 179.51 1r8u h PHE 255 N 7.50 0.00 0.00 -0.67 -0.00 -1.95 -0.45 116.94 121.37 1r8u h PHE 255 Ca 0.45 0.00 -0.07 0.00 -0.00 0.00 0.00 57.97 58.35 1r8u h PHE 255 Cb 0.84 0.00 -0.15 0.00 -0.00 0.00 0.00 35.95 36.64 1r8u h PHE 255 CO 1.42 0.00 -0.64 -1.33 -0.00 0.00 0.00 178.31 177.76 1r8u n MET 256 N -3.31 0.55 0.00 6.09 2.81 -1.26 -5.12 117.12 116.88 1r8u n MET 256 Ca 0.24 -2.15 0.00 0.00 -1.81 0.00 0.00 57.70 53.98 1r8u n MET 256 Cb 1.54 -0.70 0.00 0.00 -0.71 0.00 0.00 33.22 33.35 1r8u n MET 256 CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89 1r8u n THR 257 N -0.26 0.00 -3.74 2.03 -1.04 -0.18 -5.00 114.28 106.09 1r8u n THR 257 Ca 0.09 0.00 -0.14 0.00 -2.04 0.00 0.00 64.05 61.96 1r8u n THR 257 Cb 0.87 0.00 -0.14 0.00 -1.82 0.00 0.00 70.33 69.23 1r8u n THR 257 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1r8u s ASP 258 N 0.00 -0.05 0.00 8.00 -1.08 -1.26 -5.06 116.67 117.22 1r8u s ASP 258 Ca 0.00 0.32 0.03 0.00 -0.52 0.00 0.00 52.55 52.38 1r8u s ASP 258 Cb 0.00 0.21 0.14 0.00 -1.46 0.00 0.00 42.92 41.81 1r8u s ASP 258 CO 0.00 -0.16 0.98 0.49 0.52 0.00 0.00 175.17 177.01 1r8u n PHE 259 N 4.30 0.00 0.35 -5.34 3.72 -1.26 -1.96 117.46 117.28 1r8u n PHE 259 Ca -0.25 0.00 0.10 0.00 -0.05 0.00 0.00 57.45 57.25 1r8u n PHE 259 Cb 0.52 -0.37 0.45 0.00 -0.94 0.00 0.00 39.48 39.13 1r8u n PHE 259 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 176.76 178.04 1r8u n VAL 260 N -1.37 0.96 -1.57 -4.37 0.24 -1.26 -4.87 118.33 106.09 1r8u n VAL 260 Ca 0.01 0.34 -0.40 0.00 -2.04 0.00 0.00 64.34 62.25 1r8u n VAL 260 Cb 0.03 -1.25 0.02 0.00 -1.47 0.00 0.00 33.84 31.17 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 -2.14 0.84 0.26 0.00 1.02 -1.26 -5.15 119.74 113.32 1r8u s LYS 262 Ca 0.67 -1.35 -0.30 0.00 0.02 0.00 0.00 55.97 55.01 1r8u s LYS 262 Cb -0.51 0.24 -0.10 0.00 -0.52 0.00 0.00 37.83 36.93 1r8u s LYS 262 CO 0.54 -0.22 1.47 -0.65 -0.92 0.00 0.00 175.35 175.57 1r8u s GLN 263 N -4.00 4.23 0.18 1.68 -0.21 -1.26 -4.99 119.66 115.29 1r8u s GLN 263 Ca 0.18 2.37 -0.30 0.00 0.02 0.00 0.00 55.36 57.63 1r8u s GLN 263 Cb 0.07 -3.09 -0.08 0.00 1.00 0.00 0.00 33.01 30.91 1r8u s GLN 263 CO -0.02 -0.47 1.28 -0.65 -2.12 0.00 0.00 175.29 173.31 1r8u s GLN 264 N -0.44 4.41 0.87 2.91 -0.21 -1.26 -5.04 119.66 120.90 1r8u s GLN 264 Ca 0.60 1.99 -0.12 0.00 0.02 0.00 0.00 55.36 57.85 1r8u s GLN 264 Cb -0.43 -3.22 0.11 0.00 1.00 0.00 0.00 33.01 30.47 1r8u s GLN 264 CO 0.45 -0.22 1.13 -1.25 -2.12 0.00 0.00 175.29 173.27 1r8u s PRO 265 N 0.03 1.49 0.60 2.91 0.04 -1.26 -4.96 135.00 133.85 1r8u s PRO 265 Ca 0.56 0.35 0.38 0.00 0.04 0.00 0.00 61.00 62.34 1r8u s PRO 265 Cb -0.35 -1.87 1.88 0.00 0.04 0.00 0.00 34.50 34.20 1r8u s PRO 265 CO 0.37 -1.97 2.18 0.66 0.04 0.00 0.00 177.00 178.27 1r8u h SER 266 N -1.34 0.00 0.37 6.66 4.64 -1.98 -3.19 113.55 118.71 1r8u h SER 266 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 1r8u h SER 266 Cb 1.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.41 1r8u h SER 266 CO 0.62 0.01 0.00 0.54 -0.87 0.00 0.00 176.83 177.13 1r8u n ARG 267 N -3.15 0.08 0.28 4.77 1.74 -1.26 -3.87 116.66 115.25 1r8u n ARG 267 Ca -0.01 0.22 0.12 0.00 -0.77 0.00 0.00 57.85 57.41 1r8u n ARG 267 Cb 0.19 -1.50 0.79 0.00 -1.02 0.00 0.00 32.46 30.92 1r8u n ARG 267 CO 0.00 0.00 0.00 -0.39 -1.52 0.00 0.00 177.63 175.72 1r8u h VAL 268 N 0.00 0.70 0.00 1.55 -1.51 -1.95 -3.56 116.25 111.48 1r8u h VAL 268 Ca 0.00 -0.12 0.00 0.00 -1.23 0.00 0.00 66.70 65.35 1r8u h VAL 268 Cb 0.18 1.07 0.00 0.00 -2.13 0.00 0.00 31.29 30.41 1r8u h VAL 268 CO 0.00 0.03 0.00 -0.24 -1.23 0.00 0.00 177.57 176.13