#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 -3.86 8.00 9.92 -1.26 -5.11 116.55 124.25 1r8u n ASP 221 Ca 0.00 -0.23 -0.09 0.00 -0.53 0.00 0.00 54.79 53.94 1r8u n ASP 221 Cb 0.00 0.43 -0.04 0.00 -0.64 0.00 0.00 41.12 40.88 1r8u n ASP 221 CO 0.00 0.00 0.00 0.12 0.13 0.00 0.00 177.20 177.45 1r8u s PHE 222 N -0.43 0.02 0.82 1.24 5.36 -1.26 -5.18 117.98 118.55 1r8u s PHE 222 Ca 0.00 -0.41 -0.10 0.00 -0.96 0.00 0.00 56.93 55.46 1r8u s PHE 222 Cb 0.00 0.41 0.08 0.00 -0.34 0.00 0.00 43.02 43.18 1r8u s PHE 222 CO 0.00 -1.03 1.11 0.42 -1.46 0.00 0.00 175.22 174.26 1r8u s ILE 223 N -3.93 2.95 0.09 3.12 1.09 -1.26 -5.10 121.20 118.15 1r8u s ILE 223 Ca 0.14 0.31 0.04 0.00 -1.10 0.00 0.00 60.65 60.04 1r8u s ILE 223 Cb -0.02 -2.66 -0.03 0.00 -1.06 0.00 0.00 42.46 38.69 1r8u s ILE 223 CO 0.04 -0.40 -0.10 -0.62 -0.10 0.00 0.00 174.94 173.76 1r8u s ASP 224 N -3.18 1.40 0.39 3.58 2.15 -1.26 -5.05 116.67 114.70 1r8u s ASP 224 Ca 0.63 -0.77 0.10 0.00 0.43 0.00 0.00 52.55 52.94 1r8u s ASP 224 Cb -0.19 0.01 0.87 0.00 -0.30 0.00 0.00 42.92 43.31 1r8u s ASP 224 CO 0.57 -0.24 1.95 1.05 -0.17 0.00 0.00 175.17 178.32 1r8u h GLU 225 N 3.72 0.59 0.00 4.34 4.11 -2.00 -0.78 114.58 124.56 1r8u h GLU 225 Ca -0.37 -0.04 -0.06 0.00 0.07 0.00 0.00 59.36 58.96 1r8u h GLU 225 Cb 1.19 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.30 1r8u h GLU 225 CO 0.51 0.39 -0.29 0.93 0.07 0.00 0.00 179.01 180.61 1r8u h GLU 226 N 0.61 0.00 -0.25 1.06 5.08 -1.98 -1.30 114.58 117.79 1r8u h GLU 226 Ca 0.33 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.60 1r8u h GLU 226 Cb 0.48 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.72 1r8u h GLU 226 CO -0.11 0.29 -0.21 0.28 -1.00 0.00 0.00 179.01 178.26 1r8u h VAL 227 N 0.00 1.31 -0.43 3.13 2.07 -1.56 -0.56 116.25 120.21 1r8u h VAL 227 Ca -0.00 -1.36 -0.14 0.00 0.82 0.00 0.00 66.70 66.02 1r8u h VAL 227 Cb 0.67 1.63 -0.01 0.00 -1.52 0.00 0.00 31.29 32.06 1r8u h VAL 227 CO 0.04 0.42 -0.27 -0.07 0.02 0.00 0.00 177.57 177.71 1r8u h LEU 228 N 0.30 0.99 -1.30 2.57 -0.00 -1.29 -1.83 115.31 114.75 1r8u h LEU 228 Ca 0.05 -0.42 0.00 0.00 -0.00 0.00 0.00 57.88 57.51 1r8u h LEU 228 Cb 0.76 -0.27 -0.03 0.00 -0.00 0.00 0.00 40.66 41.11 1r8u h LEU 228 CO 0.05 1.20 0.45 0.24 -0.00 0.00 0.00 178.44 180.38 1r8u h MET 229 N 0.78 0.92 -0.66 1.13 2.86 -1.19 0.17 114.93 118.94 1r8u h MET 229 Ca 0.09 -0.06 -0.07 0.00 -2.06 0.00 0.00 59.70 57.59 1r8u h MET 229 Cb 0.85 -0.21 -0.03 0.00 0.06 0.00 0.00 31.60 32.28 1r8u h MET 229 CO 0.08 0.62 0.13 0.77 1.06 0.00 0.00 176.91 179.56 1r8u h SER 230 N 0.95 1.03 0.14 1.22 0.02 -0.89 -2.16 113.55 113.87 1r8u h SER 230 Ca 0.25 -0.25 -0.13 0.00 -0.84 0.00 0.00 61.79 60.82 1r8u h SER 230 Cb -0.09 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.16 1r8u h SER 230 CO -0.05 1.02 -0.47 -0.07 -1.14 0.00 0.00 176.83 176.12 1r8u h LEU 231 N 1.00 0.42 -0.59 5.07 3.38 -0.43 0.33 115.31 124.49 1r8u h LEU 231 Ca 0.20 -0.20 0.02 0.00 0.09 0.00 0.00 57.88 58.00 1r8u h LEU 231 Cb 0.41 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 41.01 1r8u h LEU 231 CO 0.01 0.83 0.37 0.58 0.09 0.00 0.00 178.44 180.32 1r8u h VAL 232 N 0.31 1.09 -0.27 1.22 2.07 -0.54 0.27 116.25 120.41 1r8u h VAL 232 Ca 0.02 -0.25 -0.19 0.00 0.82 0.00 0.00 66.70 67.10 1r8u h VAL 232 Cb 0.94 0.29 0.00 0.00 -1.52 0.00 0.00 31.29 31.00 1r8u h VAL 232 CO 0.08 0.13 -0.57 0.40 0.02 0.00 0.00 177.57 177.64 1r8u h ILE 233 N 0.74 1.28 -0.35 4.57 2.04 -1.22 0.20 117.51 124.77 1r8u h ILE 233 Ca 0.23 -1.76 -0.01 0.00 1.00 0.00 0.00 64.86 64.33 1r8u h ILE 233 Cb -0.01 1.67 -0.02 0.00 -0.74 0.00 0.00 36.82 37.73 1r8u h ILE 233 CO -0.09 0.57 0.18 -0.08 0.00 0.00 0.00 178.15 178.73 1r8u h GLU 234 N 0.64 0.49 0.00 2.37 4.57 -0.57 -3.14 114.58 118.93 1r8u h GLU 234 Ca 0.01 -0.06 -0.14 0.00 -1.18 0.00 0.00 59.36 57.98 1r8u h GLU 234 Cb 1.17 -0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 29.65 1r8u h GLU 234 CO 0.12 0.42 -0.69 0.52 -1.18 0.00 0.00 179.01 178.21 1r8u h MET 235 N 0.43 0.00 -0.69 1.92 2.86 -0.99 -3.49 114.93 114.96 1r8u h MET 235 Ca 0.12 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.74 1r8u h MET 235 Cb 0.09 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.75 1r8u h MET 235 CO -0.02 0.67 -0.03 0.41 1.06 0.00 0.00 176.91 179.01 1r8u n GLY 236 N 1.27 0.62 0.10 8.32 0.00 -0.04 -4.97 105.19 110.49 1r8u n GLY 236 Ca 0.01 -0.74 0.08 0.00 0.00 0.00 0.00 46.02 45.38 1r8u n GLY 236 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1r8u n LEU 237 N -0.43 0.39 0.21 0.99 4.77 -0.59 -2.34 117.00 120.00 1r8u n LEU 237 Ca -0.01 0.64 0.15 0.00 -0.03 0.00 0.00 56.01 56.76 1r8u n LEU 237 Cb 0.51 -0.64 0.72 0.00 -2.33 0.00 0.00 43.42 41.67 1r8u n LEU 237 CO 0.02 -0.65 0.93 -2.24 -1.33 0.00 0.00 177.39 174.13 1r8u h ASP 238 N 0.00 0.00 1.45 -1.43 2.03 -1.94 -2.52 116.42 114.02 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 0.14 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.64 1r8u h ASP 238 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 179.24 178.75 1r8u n ARG 239 N -2.52 0.27 -1.76 4.15 3.00 -0.99 -4.87 116.66 113.94 1r8u n ARG 239 Ca -0.01 0.23 -0.42 0.00 -0.01 0.00 0.00 57.85 57.64 1r8u n ARG 239 Cb 0.12 -1.82 -0.03 0.00 0.00 0.00 0.00 32.46 30.73 1r8u n ARG 239 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 1r8u s ILE 240 N -3.11 2.74 -0.20 0.55 -1.09 -0.95 -4.90 121.20 114.24 1r8u s ILE 240 Ca 0.10 0.15 -0.01 0.00 -2.23 0.00 0.00 60.65 58.66 1r8u s ILE 240 Cb 0.12 -3.09 -0.21 0.00 -1.58 0.00 0.00 42.46 37.70 1r8u s ILE 240 CO 0.59 -0.00 0.04 1.17 -1.23 0.00 0.00 174.94 175.50 1r8u n LYS 241 N 6.04 0.70 -3.63 2.79 4.81 -1.26 -4.92 118.16 122.69 1r8u n LYS 241 Ca 0.18 0.19 -0.10 0.00 -0.87 0.00 0.00 58.31 57.71 1r8u n LYS 241 Cb 0.39 -1.60 -0.10 0.00 0.02 0.00 0.00 35.03 33.74 1r8u n LYS 241 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 1r8u s GLU 242 N -2.54 0.27 -0.11 1.64 0.41 -1.26 -5.14 118.70 111.98 1r8u s GLU 242 Ca -0.28 0.91 -0.37 0.00 -0.41 0.00 0.00 54.97 54.82 1r8u s GLU 242 Cb 0.08 0.15 -0.14 0.00 -1.78 0.00 0.00 34.13 32.44 1r8u s GLU 242 CO 0.68 -0.30 1.74 -0.11 -0.49 0.00 0.00 175.26 176.78 1r8u n LEU 243 N 5.38 2.83 -4.74 1.80 7.94 -1.26 -4.98 117.00 123.97 1r8u n LEU 243 Ca -0.07 1.04 -0.29 0.00 -1.11 0.00 0.00 56.01 55.58 1r8u n LEU 243 Cb 0.50 -1.28 0.15 0.00 0.53 0.00 0.00 43.42 43.32 1r8u n LEU 243 CO 0.01 -0.33 0.68 -2.16 -1.11 0.00 0.00 177.39 174.49 1r8u s PRO 244 N 3.11 0.85 0.10 1.96 0.04 -1.26 -5.07 135.00 134.72 1r8u s PRO 244 Ca 0.92 0.41 -0.02 0.00 0.04 0.00 0.00 61.00 62.35 1r8u s PRO 244 Cb -0.85 -1.80 -0.05 0.00 0.04 0.00 0.00 34.50 31.84 1r8u s PRO 244 CO 0.54 -2.42 0.28 -1.21 0.04 0.00 0.00 177.00 174.23 1r8u s GLU 245 N -5.13 3.51 0.02 4.56 2.02 -1.26 -5.12 118.70 117.30 1r8u s GLU 245 Ca 0.64 -0.29 -0.07 0.00 0.02 0.00 0.00 54.97 55.27 1r8u s GLU 245 Cb -0.16 -2.96 -0.00 0.00 0.10 0.00 0.00 34.13 31.10 1r8u s GLU 245 CO 0.55 0.55 0.13 -0.51 0.02 0.00 0.00 175.26 176.00 1r8u s LEU 246 N -2.58 1.64 -0.44 1.80 1.02 -1.26 -5.12 118.68 113.75 1r8u s LEU 246 Ca 0.38 -0.36 0.10 0.00 0.02 0.00 0.00 54.13 54.26 1r8u s LEU 246 Cb -0.13 0.67 0.35 0.00 0.02 0.00 0.00 46.19 47.10 1r8u s LEU 246 CO 0.27 -0.45 0.80 0.79 0.02 0.00 0.00 176.35 177.78 1r8u n TRP 247 N 1.08 1.46 0.13 0.29 7.02 -1.26 -4.94 117.44 121.21 1r8u n TRP 247 Ca -0.21 -3.88 0.09 0.00 -1.02 0.00 0.00 57.50 52.48 1r8u n TRP 247 Cb 0.57 -0.44 0.46 0.00 -2.42 0.00 0.00 31.31 29.48 1r8u n TRP 247 CO 0.00 0.00 0.00 1.28 -2.02 0.00 0.00 177.69 176.95 1r8u n LEU 248 N 0.12 0.44 0.06 -0.99 4.32 -1.26 -1.68 117.00 118.02 1r8u n LEU 248 Ca 0.27 0.70 0.12 0.00 -0.02 0.00 0.00 56.01 57.08 1r8u n LEU 248 Cb 0.57 -0.76 0.11 0.00 -1.62 0.00 0.00 43.42 41.72 1r8u n LEU 248 CO 0.25 -0.86 0.22 1.23 -1.22 0.00 0.00 177.39 177.02 1r8u h GLY 249 N 0.00 0.00 -2.64 -0.72 0.00 -1.92 -3.46 103.07 94.33 1r8u h GLY 249 Ca 0.00 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.80 1r8u h GLY 249 CO 0.00 0.00 -0.56 1.20 0.00 0.00 0.00 176.54 177.18 1r8u s GLN 250 N -3.21 2.59 0.54 4.80 -0.21 -0.68 -5.03 119.66 118.46 1r8u s GLN 250 Ca 0.04 -1.29 0.21 0.00 0.02 0.00 0.00 55.36 54.34 1r8u s GLN 250 Cb 0.13 -2.35 1.44 0.00 1.00 0.00 0.00 33.01 33.23 1r8u s GLN 250 CO 0.75 0.31 2.17 -0.97 -2.12 0.00 0.00 175.29 175.42 1r8u h ASN 251 N 1.61 0.00 -0.46 5.90 -0.73 -1.93 -2.90 115.58 117.07 1r8u h ASN 251 Ca -0.46 0.00 0.13 0.00 1.87 0.00 0.00 56.30 57.85 1r8u h ASN 251 Cb 1.25 0.00 -0.02 0.00 0.27 0.00 0.00 38.32 39.82 1r8u h ASN 251 CO 0.61 0.00 0.36 -0.33 -0.37 0.00 0.00 177.43 177.69 1r8u h GLU 252 N 0.00 0.00 -1.88 6.67 3.07 -1.96 -3.31 114.58 117.17 1r8u h GLU 252 Ca 0.02 0.00 -0.45 0.00 -0.50 0.00 0.00 59.36 58.43 1r8u h GLU 252 Cb 0.08 0.00 -0.31 0.00 -0.84 0.00 0.00 28.75 27.68 1r8u h GLU 252 CO -0.00 0.00 -0.83 0.34 -1.40 0.00 0.00 179.01 177.12 1r8u n PHE 253 N -4.24 -1.82 -2.51 4.33 7.35 -1.09 -5.04 117.46 114.44 1r8u n PHE 253 Ca 0.08 -2.71 -0.43 0.00 -0.76 0.00 0.00 57.45 53.63 1r8u n PHE 253 Cb 0.56 0.62 0.00 0.00 0.35 0.00 0.00 39.48 41.01 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 2.74 4.85 -0.55 -2.13 2.03 -1.25 -4.10 116.55 118.15 1r8u n ASP 254 Ca 0.25 -2.92 0.44 0.00 0.52 0.00 0.00 54.79 53.09 1r8u n ASP 254 Cb 0.51 -1.72 0.74 0.00 -0.72 0.00 0.00 41.12 39.93 1r8u n ASP 254 CO 0.00 0.00 0.00 2.19 -1.92 0.00 0.00 177.20 177.47 1r8u h PHE 255 N 7.30 0.25 -0.12 -0.67 -0.00 -1.92 0.30 116.94 122.08 1r8u h PHE 255 Ca 0.45 0.01 -0.12 0.00 -0.00 0.00 0.00 57.97 58.31 1r8u h PHE 255 Cb 0.84 -0.06 -0.15 0.00 -0.00 0.00 0.00 35.95 36.58 1r8u h PHE 255 CO 1.40 -0.11 -0.67 -1.33 -0.00 0.00 0.00 178.31 177.61 1r8u n MET 256 N -4.32 1.60 -0.12 6.09 2.81 -1.26 -5.08 117.12 116.83 1r8u n MET 256 Ca 0.39 -3.20 0.00 0.00 -1.81 0.00 0.00 57.70 53.08 1r8u n MET 256 Cb 1.68 -1.42 0.00 0.00 -0.71 0.00 0.00 33.22 32.76 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 -0.75 0.00 0.28 2.03 -1.04 0.09 -4.90 114.28 109.99 1r8u n THR 257 Ca 0.20 0.00 0.15 0.00 -2.04 0.00 0.00 64.05 62.35 1r8u n THR 257 Cb 0.82 0.00 0.46 0.00 -1.82 0.00 0.00 70.33 69.78 1r8u n THR 257 CO 0.00 0.00 0.00 -0.78 -0.64 0.00 0.00 175.07 173.65 1r8u h ASP 258 N 0.47 0.00 -1.74 8.00 3.58 -1.98 -3.43 116.42 121.32 1r8u h ASP 258 Ca 0.00 0.00 -0.46 0.00 0.42 0.00 0.00 57.03 56.99 1r8u h ASP 258 Cb 0.00 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.02 1r8u h ASP 258 CO 0.00 0.00 1.25 0.12 -2.88 0.00 0.00 179.24 177.73 1r8u s PHE 259 N -3.44 1.65 -0.00 0.28 5.36 -1.26 -4.70 117.98 115.86 1r8u s PHE 259 Ca 0.04 0.82 0.01 0.00 -0.96 0.00 0.00 56.93 56.83 1r8u s PHE 259 Cb 0.08 -4.05 0.01 0.00 -0.34 0.00 0.00 43.02 38.72 1r8u s PHE 259 CO 0.59 -2.22 0.76 1.33 -1.46 0.00 0.00 175.22 174.22 1r8u n VAL 260 N 7.38 0.09 -1.47 3.12 0.24 -1.26 -5.14 118.33 121.28 1r8u n VAL 260 Ca 0.25 -0.10 -0.43 0.00 -2.04 0.00 0.00 64.34 62.02 1r8u n VAL 260 Cb 0.51 0.72 -0.00 0.00 -1.47 0.00 0.00 33.84 33.60 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 -1.51 1.01 0.97 0.00 1.02 -1.26 -5.18 119.74 114.79 1r8u s LYS 262 Ca 0.62 -1.50 -0.15 0.00 0.02 0.00 0.00 55.97 54.97 1r8u s LYS 262 Cb -0.66 0.25 0.18 0.00 -0.52 0.00 0.00 37.83 37.08 1r8u s LYS 262 CO 0.58 -0.30 1.20 -0.65 -0.92 0.00 0.00 175.35 175.26 1r8u s GLN 263 N -4.08 0.65 -0.02 1.68 -0.21 -1.26 -5.12 119.66 111.30 1r8u s GLN 263 Ca 0.29 -0.04 0.01 0.00 0.02 0.00 0.00 55.36 55.65 1r8u s GLN 263 Cb 0.07 -1.81 0.01 0.00 1.00 0.00 0.00 33.01 32.28 1r8u s GLN 263 CO 0.05 -2.47 -0.05 -1.14 -2.12 0.00 0.00 175.29 169.56 1r8u s GLN 264 N -5.55 0.59 0.93 2.91 0.74 -1.26 -5.17 119.66 112.85 1r8u s GLN 264 Ca 0.68 -0.14 -0.12 0.00 0.05 0.00 0.00 55.36 55.83 1r8u s GLN 264 Cb -0.10 -0.60 0.15 0.00 1.10 0.00 0.00 33.01 33.56 1r8u s GLN 264 CO 0.53 0.03 1.11 -1.25 -0.55 0.00 0.00 175.29 175.16 1r8u s PRO 265 N 0.36 1.02 -0.07 1.67 0.04 -1.26 -5.03 135.00 131.74 1r8u s PRO 265 Ca -0.04 0.48 0.10 0.00 0.04 0.00 0.00 61.00 61.58 1r8u s PRO 265 Cb -0.08 -1.81 0.15 0.00 0.04 0.00 0.00 34.50 32.80 1r8u s PRO 265 CO -0.00 -2.32 1.04 0.43 0.04 0.00 0.00 177.00 176.18 1r8u n SER 266 N -3.89 1.54 0.00 6.66 7.64 -1.26 -4.77 113.62 119.55 1r8u n SER 266 Ca 0.06 -2.47 0.00 0.00 1.01 0.00 0.00 58.87 57.47 1r8u n SER 266 Cb 0.58 -0.27 0.00 0.00 -1.01 0.00 0.00 64.21 63.51 1r8u n SER 266 CO 0.00 0.00 0.00 -2.11 -3.01 0.00 0.00 175.04 169.92 1r8u n ARG 267 N -0.82 1.98 0.09 1.43 1.85 -1.26 -4.82 116.66 115.11 1r8u n ARG 267 Ca 0.08 -0.08 -0.11 0.00 -1.00 0.00 0.00 57.85 56.74 1r8u n ARG 267 Cb 0.58 -0.41 -0.07 0.00 -1.05 0.00 0.00 32.46 31.51 1r8u n ARG 267 CO 0.00 0.00 0.00 0.28 -0.01 0.00 0.00 177.63 177.90 1r8u h VAL 268 N 0.18 1.53 0.00 8.89 2.07 -2.02 -3.58 116.25 123.32 1r8u h VAL 268 Ca 0.00 -2.88 0.00 0.00 0.82 0.00 0.00 66.70 64.64 1r8u h VAL 268 Cb 0.09 2.67 0.00 0.00 -1.52 0.00 0.00 31.29 32.53 1r8u h VAL 268 CO 0.00 0.84 0.00 -1.54 0.02 0.00 0.00 177.57 176.89