#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 1.67 -0.83 8.00 2.03 -1.26 -5.07 116.55 121.08 1r8u n ASP 221 Ca 0.00 -0.19 0.00 0.00 0.52 0.00 0.00 54.79 55.12 1r8u n ASP 221 Cb 0.00 1.46 0.00 0.00 -0.72 0.00 0.00 41.12 41.86 1r8u n ASP 221 CO 0.00 0.00 0.00 2.22 -1.92 0.00 0.00 177.20 177.50 1r8u n PHE 222 N -1.80 -0.52 -1.34 -0.67 -1.74 -1.26 -5.17 117.46 104.96 1r8u n PHE 222 Ca -0.01 0.00 -0.37 0.00 -0.56 0.00 0.00 57.45 56.51 1r8u n PHE 222 Cb 0.31 0.00 0.06 0.00 1.52 0.00 0.00 39.48 41.37 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 0.00 2.03 -4.60 1.97 5.41 -1.26 -5.04 119.36 117.87 1r8u n ILE 223 Ca 0.00 -0.44 -0.26 0.00 1.00 0.00 0.00 62.75 63.05 1r8u n ILE 223 Cb 0.00 -0.74 -0.14 0.00 -0.71 0.00 0.00 39.64 38.06 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 -1.36 2.70 0.33 4.38 -1.08 -1.26 -5.05 116.67 115.33 1r8u s ASP 224 Ca 0.67 -0.59 0.08 0.00 -0.52 0.00 0.00 52.55 52.20 1r8u s ASP 224 Cb -0.38 -0.21 0.80 0.00 -1.46 0.00 0.00 42.92 41.67 1r8u s ASP 224 CO 0.56 0.16 1.81 1.05 0.52 0.00 0.00 175.17 179.28 1r8u h GLU 225 N 4.62 0.69 0.00 4.34 9.09 -2.00 -0.09 114.58 131.23 1r8u h GLU 225 Ca -0.45 -0.04 -0.05 0.00 0.05 0.00 0.00 59.36 58.87 1r8u h GLU 225 Cb 1.16 -0.15 -0.01 0.00 -1.65 0.00 0.00 28.75 28.10 1r8u h GLU 225 CO 0.43 0.45 -0.22 0.93 0.05 0.00 0.00 179.01 180.65 1r8u h GLU 226 N 0.71 0.00 -0.30 1.06 5.08 -1.98 -2.26 114.58 116.88 1r8u h GLU 226 Ca 0.53 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.73 1r8u h GLU 226 Cb 0.89 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.13 1r8u h GLU 226 CO -0.29 0.22 -0.41 0.28 -1.00 0.00 0.00 179.01 177.81 1r8u h VAL 227 N 0.00 1.29 -0.49 3.13 2.07 -1.44 -0.23 116.25 120.57 1r8u h VAL 227 Ca -0.00 -1.60 -0.09 0.00 0.82 0.00 0.00 66.70 65.83 1r8u h VAL 227 Cb 0.92 1.58 -0.02 0.00 -1.52 0.00 0.00 31.29 32.25 1r8u h VAL 227 CO 0.03 0.52 -0.04 -0.07 0.02 0.00 0.00 177.57 178.03 1r8u h LEU 228 N 0.59 0.89 -1.54 2.57 -0.00 -1.31 -1.29 115.31 115.22 1r8u h LEU 228 Ca 0.03 -0.32 -0.02 0.00 -0.00 0.00 0.00 57.88 57.57 1r8u h LEU 228 Cb 1.01 -0.24 -0.01 0.00 -0.00 0.00 0.00 40.66 41.42 1r8u h LEU 228 CO 0.10 1.00 0.05 0.24 -0.00 0.00 0.00 178.44 179.83 1r8u h MET 229 N 0.76 0.35 -0.46 1.13 2.86 -1.33 0.63 114.93 118.87 1r8u h MET 229 Ca 0.14 -0.05 -0.14 0.00 -2.06 0.00 0.00 59.70 57.59 1r8u h MET 229 Cb 0.57 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 32.15 1r8u h MET 229 CO 0.03 0.34 -0.27 0.77 1.06 0.00 0.00 176.91 178.84 1r8u h SER 230 N 0.35 1.03 0.03 1.22 0.02 -0.73 -2.68 113.55 112.79 1r8u h SER 230 Ca 0.08 -0.42 -0.10 0.00 -0.84 0.00 0.00 61.79 60.52 1r8u h SER 230 Cb 0.15 -0.29 -0.01 0.00 0.14 0.00 0.00 62.40 62.40 1r8u h SER 230 CO -0.00 1.22 -0.31 -0.07 -1.14 0.00 0.00 176.83 176.53 1r8u h LEU 231 N 0.84 0.42 -0.40 5.07 3.38 -0.41 0.26 115.31 124.47 1r8u h LEU 231 Ca 0.10 -0.16 0.05 0.00 0.09 0.00 0.00 57.88 57.96 1r8u h LEU 231 Cb 0.86 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 41.45 1r8u h LEU 231 CO 0.08 0.72 0.14 0.58 0.09 0.00 0.00 178.44 180.05 1r8u h VAL 232 N 0.36 0.89 -0.38 1.22 2.07 -0.81 -0.01 116.25 119.59 1r8u h VAL 232 Ca 0.05 -0.11 -0.14 0.00 0.82 0.00 0.00 66.70 67.33 1r8u h VAL 232 Cb 0.73 0.55 -0.01 0.00 -1.52 0.00 0.00 31.29 31.04 1r8u h VAL 232 CO 0.06 0.06 -0.29 0.40 0.02 0.00 0.00 177.57 177.81 1r8u h ILE 233 N 0.31 1.28 -0.41 4.57 2.04 -1.19 0.48 117.51 124.58 1r8u h ILE 233 Ca 0.18 -1.45 0.00 0.00 1.00 0.00 0.00 64.86 64.59 1r8u h ILE 233 Cb 0.16 1.37 -0.02 0.00 -0.74 0.00 0.00 36.82 37.59 1r8u h ILE 233 CO -0.18 0.48 0.27 -0.08 0.00 0.00 0.00 178.15 178.64 1r8u h GLU 234 N 0.67 0.55 0.00 2.37 4.57 -0.61 -3.02 114.58 119.11 1r8u h GLU 234 Ca 0.07 -0.04 -0.07 0.00 -1.18 0.00 0.00 59.36 58.14 1r8u h GLU 234 Cb 0.87 -0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 29.33 1r8u h GLU 234 CO 0.08 0.37 -0.38 0.52 -1.18 0.00 0.00 179.01 178.42 1r8u h MET 235 N 0.55 0.00 -0.18 1.92 2.86 -1.02 -3.49 114.93 115.58 1r8u h MET 235 Ca 0.15 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.79 1r8u h MET 235 Cb -0.05 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.61 1r8u h MET 235 CO -0.03 0.34 0.00 0.41 1.06 0.00 0.00 176.91 178.69 1r8u n GLY 236 N 1.19 0.49 0.13 8.32 0.00 -0.03 -4.97 105.19 110.32 1r8u n GLY 236 Ca 0.02 -0.84 0.11 0.00 0.00 0.00 0.00 46.02 45.31 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 -0.09 0.58 0.25 0.99 4.77 -0.10 -2.49 117.00 120.91 1r8u n LEU 237 Ca 0.00 0.68 0.17 0.00 -0.03 0.00 0.00 56.01 56.83 1r8u n LEU 237 Cb 0.49 -0.64 0.85 0.00 -2.33 0.00 0.00 43.42 41.80 1r8u n LEU 237 CO 0.00 -0.65 1.00 -2.24 -1.33 0.00 0.00 177.39 174.18 1r8u h ASP 238 N 0.00 0.00 0.35 -1.43 2.03 -1.94 -2.59 116.42 112.84 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 0.25 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.75 1r8u h ASP 238 CO 0.00 0.00 -0.35 0.54 -1.03 0.00 0.00 179.24 178.40 1r8u n ARG 239 N -2.70 0.49 -1.89 4.15 1.74 -1.04 -4.93 116.66 112.47 1r8u n ARG 239 Ca -0.01 -0.28 -0.42 0.00 -0.77 0.00 0.00 57.85 56.37 1r8u n ARG 239 Cb 0.10 -1.49 -0.02 0.00 -1.02 0.00 0.00 32.46 30.03 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 -2.71 2.40 -0.26 0.55 -1.09 -0.98 -4.94 121.20 114.18 1r8u s ILE 240 Ca 0.19 0.32 -0.03 0.00 -2.23 0.00 0.00 60.65 58.90 1r8u s ILE 240 Cb 0.19 -3.20 -0.16 0.00 -1.58 0.00 0.00 42.46 37.70 1r8u s ILE 240 CO 0.59 0.04 -0.25 1.17 -1.23 0.00 0.00 174.94 175.27 1r8u n LYS 241 N 2.91 0.63 -3.67 2.79 4.81 -1.26 -4.96 118.16 119.43 1r8u n LYS 241 Ca 0.10 0.19 -0.11 0.00 -0.87 0.00 0.00 58.31 57.62 1r8u n LYS 241 Cb 0.38 -1.52 -0.11 0.00 0.02 0.00 0.00 35.03 33.80 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 -2.52 0.26 -0.11 1.64 0.41 -1.26 -5.14 118.70 111.99 1r8u s GLU 242 Ca -0.36 0.89 -0.36 0.00 -0.41 0.00 0.00 54.97 54.74 1r8u s GLU 242 Cb 0.11 0.16 -0.13 0.00 -1.78 0.00 0.00 34.13 32.48 1r8u s GLU 242 CO 0.57 -0.25 1.79 -0.11 -0.49 0.00 0.00 175.26 176.77 1r8u n LEU 243 N 5.22 3.05 -4.77 1.80 7.94 -1.26 -4.99 117.00 124.00 1r8u n LEU 243 Ca -0.10 1.02 -0.29 0.00 -1.11 0.00 0.00 56.01 55.53 1r8u n LEU 243 Cb 0.50 -1.31 0.15 0.00 0.53 0.00 0.00 43.42 43.30 1r8u n LEU 243 CO 0.02 -0.22 0.71 -2.16 -1.11 0.00 0.00 177.39 174.63 1r8u s PRO 244 N 3.47 0.78 0.26 1.96 0.04 -1.26 -5.08 135.00 135.17 1r8u s PRO 244 Ca 0.93 0.22 -0.01 0.00 0.04 0.00 0.00 61.00 62.17 1r8u s PRO 244 Cb -0.80 -1.80 -0.04 0.00 0.04 0.00 0.00 34.50 31.89 1r8u s PRO 244 CO 0.54 -2.43 0.46 -1.21 0.04 0.00 0.00 177.00 174.40 1r8u s GLU 245 N -5.31 3.53 0.01 4.56 2.02 -1.26 -5.13 118.70 117.12 1r8u s GLU 245 Ca 0.65 -0.29 -0.10 0.00 0.02 0.00 0.00 54.97 55.25 1r8u s GLU 245 Cb -0.14 -2.76 0.01 0.00 0.10 0.00 0.00 34.13 31.34 1r8u s GLU 245 CO 0.54 0.30 0.20 -0.51 0.02 0.00 0.00 175.26 175.81 1r8u s LEU 246 N -3.67 1.32 -0.50 1.80 1.02 -1.26 -5.12 118.68 112.27 1r8u s LEU 246 Ca 0.40 -0.19 0.08 0.00 0.02 0.00 0.00 54.13 54.43 1r8u s LEU 246 Cb -0.10 0.91 0.32 0.00 0.02 0.00 0.00 46.19 47.34 1r8u s LEU 246 CO 0.31 -0.45 0.81 0.79 0.02 0.00 0.00 176.35 177.83 1r8u n TRP 247 N 1.14 2.35 0.34 0.29 7.02 -1.26 -4.88 117.44 122.44 1r8u n TRP 247 Ca -0.21 -3.92 0.05 0.00 -1.02 0.00 0.00 57.50 52.39 1r8u n TRP 247 Cb 0.57 -0.46 0.21 0.00 -2.42 0.00 0.00 31.31 29.21 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 0.21 0.00 -0.71 -0.99 4.32 -1.26 -2.05 117.00 116.51 1r8u n LEU 248 Ca 0.28 0.50 0.06 0.00 -0.02 0.00 0.00 56.01 56.83 1r8u n LEU 248 Cb 0.49 -0.50 0.17 0.00 -1.62 0.00 0.00 43.42 41.96 1r8u n LEU 248 CO 0.29 -0.33 0.64 0.61 -1.22 0.00 0.00 177.39 177.38 1r8u n GLY 249 N -0.48 0.81 3.12 -0.72 0.00 -1.26 -4.89 105.19 101.77 1r8u n GLY 249 Ca 0.02 -0.41 -0.08 0.00 0.00 0.00 0.00 46.02 45.55 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 -1.51 0.71 0.61 1.61 -1.52 -0.87 -5.05 119.66 113.63 1r8u s GLN 250 Ca 0.25 -1.28 0.40 0.00 -1.95 0.00 0.00 55.36 52.78 1r8u s GLN 250 Cb 0.13 0.09 2.00 0.00 -0.22 0.00 0.00 33.01 35.01 1r8u s GLN 250 CO 0.17 -0.10 2.20 -0.97 -0.25 0.00 0.00 175.29 176.34 1r8u h ASN 251 N 3.07 0.00 -0.54 5.90 -0.73 -1.91 -3.18 115.58 118.18 1r8u h ASN 251 Ca -0.34 0.00 0.14 0.00 1.87 0.00 0.00 56.30 57.96 1r8u h ASN 251 Cb 1.15 0.00 -0.03 0.00 0.27 0.00 0.00 38.32 39.72 1r8u h ASN 251 CO 0.65 0.00 0.38 -0.33 -0.37 0.00 0.00 177.43 177.76 1r8u h GLU 252 N 0.00 0.12 -1.79 6.67 4.39 -1.97 -3.33 114.58 118.67 1r8u h GLU 252 Ca 0.00 -0.01 -0.40 0.00 0.34 0.00 0.00 59.36 59.29 1r8u h GLU 252 Cb 0.18 -0.03 -0.29 0.00 -0.10 0.00 0.00 28.75 28.52 1r8u h GLU 252 CO 0.00 0.08 -0.77 0.12 -1.16 0.00 0.00 179.01 177.28 1r8u s PHE 253 N -5.13 -0.08 -1.51 4.33 5.36 -1.20 -5.02 117.98 114.72 1r8u s PHE 253 Ca -0.06 -1.55 -0.10 0.00 -0.96 0.00 0.00 56.93 54.26 1r8u s PHE 253 Cb 0.20 -0.39 -0.00 0.00 -0.34 0.00 0.00 43.02 42.49 1r8u s PHE 253 CO 0.74 -1.02 2.61 -3.47 -1.46 0.00 0.00 175.22 172.62 1r8u n ASP 254 N 2.93 7.25 -0.01 6.13 -0.08 -1.25 -4.20 116.55 127.32 1r8u n ASP 254 Ca 0.24 -2.77 0.00 0.00 -1.51 0.00 0.00 54.79 50.75 1r8u n ASP 254 Cb 0.51 -1.54 0.00 0.00 2.34 0.00 0.00 41.12 42.43 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 3.85 0.01 -0.55 -0.67 -1.74 -1.26 -0.78 117.46 116.32 1r8u n PHE 255 Ca 0.67 0.03 0.06 0.00 -0.56 0.00 0.00 57.45 57.65 1r8u n PHE 255 Cb 0.28 -0.52 0.12 0.00 1.52 0.00 0.00 39.48 40.88 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 -3.98 2.40 -1.46 3.97 2.81 -1.26 -5.07 117.12 114.53 1r8u n MET 256 Ca 0.00 -2.17 -0.36 0.00 -1.81 0.00 0.00 57.70 53.36 1r8u n MET 256 Cb 0.01 -1.35 0.08 0.00 -0.71 0.00 0.00 33.22 31.25 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 -0.65 3.35 -2.04 2.03 5.66 0.04 -4.98 114.28 117.69 1r8u n THR 257 Ca 0.11 -0.41 0.00 0.00 -3.05 0.00 0.00 64.05 60.70 1r8u n THR 257 Cb 0.52 -1.19 -0.00 0.00 -1.55 0.00 0.00 70.33 68.11 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 -1.67 0.04 -4.73 1.09 2.03 -1.26 -5.14 116.55 106.91 1r8u n ASP 258 Ca 0.14 -1.72 -0.34 0.00 0.52 0.00 0.00 54.79 53.38 1r8u n ASP 258 Cb 0.49 -0.13 0.08 0.00 -0.72 0.00 0.00 41.12 40.84 1r8u n ASP 258 CO 0.00 0.00 0.00 0.72 -1.92 0.00 0.00 177.20 176.00 1r8u s PHE 259 N 0.00 2.14 0.00 -0.67 -0.71 -1.26 -4.99 117.98 112.49 1r8u s PHE 259 Ca 0.03 1.59 0.00 0.00 -1.04 0.00 0.00 56.93 57.50 1r8u s PHE 259 Cb 0.03 -3.44 0.00 0.00 -1.21 0.00 0.00 43.02 38.40 1r8u s PHE 259 CO -0.01 -2.49 0.09 1.33 -1.34 0.00 0.00 175.22 172.80 1r8u n VAL 260 N -2.59 0.00 -3.61 -2.49 0.24 -1.26 -5.10 118.33 103.51 1r8u n VAL 260 Ca 0.13 -0.13 -0.15 0.00 -2.04 0.00 0.00 64.34 62.15 1r8u n VAL 260 Cb 0.50 1.49 -0.06 0.00 -1.47 0.00 0.00 33.84 34.30 1r8u n VAL 260 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1r8u h LYS 262 N 3.15 0.44 -6.67 0.00 3.64 -2.06 -3.44 116.57 111.63 1r8u h LYS 262 Ca -0.29 -0.19 -0.50 0.00 -1.27 0.00 0.00 60.65 58.40 1r8u h LYS 262 Cb 1.18 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.96 1r8u h LYS 262 CO 0.40 0.72 0.20 -1.14 -2.27 0.00 0.00 179.45 177.36 1r8u s GLN 263 N -4.34 4.40 0.05 1.90 2.00 -1.26 -5.10 119.66 117.31 1r8u s GLN 263 Ca -0.06 1.06 -0.01 0.00 -2.00 0.00 0.00 55.36 54.34 1r8u s GLN 263 Cb 0.13 -2.90 -0.03 0.00 0.80 0.00 0.00 33.01 31.01 1r8u s GLN 263 CO 0.79 0.38 -0.01 -0.65 -0.50 0.00 0.00 175.29 175.30 1r8u s GLN 264 N -1.90 0.56 0.78 1.67 -0.21 -1.26 -5.05 119.66 114.26 1r8u s GLN 264 Ca 0.44 -1.07 -0.15 0.00 0.02 0.00 0.00 55.36 54.60 1r8u s GLN 264 Cb -0.18 0.20 0.01 0.00 1.00 0.00 0.00 33.01 34.04 1r8u s GLN 264 CO 0.23 -0.11 0.78 -2.30 -2.12 0.00 0.00 175.29 171.77 1r8u n PRO 265 N 0.41 0.23 -2.24 2.91 -0.02 -1.26 -5.06 135.00 129.97 1r8u n PRO 265 Ca -0.16 0.13 -0.04 0.00 -2.02 0.00 0.00 63.50 61.41 1r8u n PRO 265 Cb 0.60 -2.08 0.01 0.00 -0.02 0.00 0.00 33.50 32.01 1r8u n PRO 265 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1r8u n SER 266 N -1.51 -0.96 0.00 2.55 2.88 -1.26 -5.04 113.62 110.29 1r8u n SER 266 Ca 0.11 -1.70 0.00 0.00 -1.33 0.00 0.00 58.87 55.95 1r8u n SER 266 Cb 0.50 1.61 0.00 0.00 -0.75 0.00 0.00 64.21 65.57 1r8u n SER 266 CO 0.00 0.00 0.00 -2.11 -1.23 0.00 0.00 175.04 171.70 1r8u n ARG 267 N -0.23 0.00 0.15 -1.46 0.00 -1.26 -2.87 116.66 110.99 1r8u n ARG 267 Ca -0.03 0.20 0.12 0.00 -0.00 0.00 0.00 57.85 58.14 1r8u n ARG 267 Cb 0.26 -1.52 0.53 0.00 -0.00 0.00 0.00 32.46 31.74 1r8u n ARG 267 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.63 177.24 1r8u h VAL 268 N 0.00 0.00 0.00 8.89 -1.51 -2.00 -3.58 116.25 118.05 1r8u h VAL 268 Ca 0.00 -0.20 0.00 0.00 -1.23 0.00 0.00 66.70 65.27 1r8u h VAL 268 Cb 0.03 0.89 0.00 0.00 -2.13 0.00 0.00 31.29 30.08 1r8u h VAL 268 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 177.57 175.14