#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kkt h GLU 199 N 0.00 0.40 0.00 0.54 5.08 -2.01 -0.84 114.58 117.75 2kkt h GLU 199 Ca 0.00 -0.48 -0.05 0.00 -1.00 0.00 0.00 59.36 57.83 2kkt h GLU 199 Cb 0.00 0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 2kkt h GLU 199 CO 0.00 1.15 -0.26 1.05 -1.00 0.00 0.00 179.01 179.95 2kkt h GLU 200 N -0.13 0.00 -0.16 2.33 9.09 -2.04 -0.50 114.58 123.17 2kkt h GLU 200 Ca -0.09 0.00 -0.01 0.00 0.05 0.00 0.00 59.36 59.30 2kkt h GLU 200 Cb 1.41 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.51 2kkt h GLU 200 CO 0.13 0.26 0.05 1.25 0.05 0.00 0.00 179.01 180.75 2kkt h LEU 201 N 0.00 0.23 -0.84 3.06 6.46 -1.96 0.40 115.31 122.66 2kkt h LEU 201 Ca -0.00 -0.20 0.06 0.00 -0.12 0.00 0.00 57.88 57.62 2kkt h LEU 201 Cb 0.92 -0.06 -0.06 0.00 -0.73 0.00 0.00 40.66 40.73 2kkt h LEU 201 CO 0.03 0.37 0.52 -0.09 -0.62 0.00 0.00 178.44 178.65 2kkt h ARG 202 N 0.08 0.91 -0.29 1.25 2.43 -0.69 0.12 114.38 118.19 2kkt h ARG 202 Ca 0.05 -0.05 -0.08 0.00 -0.81 0.00 0.00 59.98 59.08 2kkt h ARG 202 Cb 0.22 -0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 29.55 2kkt h ARG 202 CO -0.00 0.60 -0.17 0.77 -1.51 0.00 0.00 179.97 179.65 2kkt h SER 203 N 0.93 0.51 0.90 -3.80 0.02 -0.82 -2.66 113.55 108.62 2kkt h SER 203 Ca 0.37 -0.15 -0.04 0.00 -0.84 0.00 0.00 61.79 61.13 2kkt h SER 203 Cb 0.19 -0.14 0.01 0.00 0.14 0.00 0.00 62.40 62.60 2kkt h SER 203 CO -0.18 0.70 -0.46 0.25 -1.14 0.00 0.00 176.83 176.00 2kkt h LEU 204 N 0.47 -1.12 -1.62 5.07 6.46 0.12 -2.65 115.31 122.03 2kkt h LEU 204 Ca 0.08 0.05 0.00 0.00 -0.12 0.00 0.00 57.88 57.89 2kkt h LEU 204 Cb 0.57 0.30 0.00 0.00 -0.73 0.00 0.00 40.66 40.80 2kkt h LEU 204 CO 0.04 -0.76 0.38 -0.07 -0.62 0.00 0.00 178.44 177.41 2kkt h LEU 205 N -1.24 0.00 -0.92 2.25 -0.00 -0.70 0.73 115.31 115.43 2kkt h LEU 205 Ca -0.12 0.00 -0.11 0.00 -0.00 0.00 0.00 57.88 57.64 2kkt h LEU 205 Cb 0.97 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.61 2kkt h LEU 205 CO 0.18 0.00 -0.54 0.74 -0.00 0.00 0.00 178.44 178.82 2kkt h THR 206 N 0.00 1.39 0.00 0.22 2.02 -1.11 -3.39 112.91 112.03 2kkt h THR 206 Ca 0.00 -1.84 0.00 0.00 0.77 0.00 0.00 66.41 65.34 2kkt h THR 206 Cb 0.76 1.99 0.00 0.00 -1.74 0.00 0.00 68.15 69.16 2kkt h THR 206 CO 0.00 0.53 0.00 1.07 0.37 0.00 0.00 175.52 177.49 2kkt n THR 207 N -3.90 0.00 -4.09 3.16 5.66 0.08 -5.06 114.28 110.12 2kkt n THR 207 Ca -0.01 0.00 -0.36 0.00 -3.05 0.00 0.00 64.05 60.63 2kkt n THR 207 Cb 0.55 0.43 -0.08 0.00 -1.55 0.00 0.00 70.33 69.68 2kkt n THR 207 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 175.07 170.92 2kkt s GLN 208 N 0.00 3.42 0.00 1.09 -1.52 0.23 -3.84 119.66 119.05 2kkt s GLN 208 Ca 0.00 -0.29 0.00 0.00 -1.95 0.00 0.00 55.36 53.12 2kkt s GLN 208 Cb 0.00 -3.05 0.00 0.00 -0.22 0.00 0.00 33.01 29.74 2kkt s GLN 208 CO 0.00 0.61 0.52 0.00 -0.25 0.00 0.00 175.29 176.17 2kkt n GLY 210 N -0.87 1.15 3.70 0.00 0.00 0.26 -4.76 105.19 104.67 2kkt n GLY 210 Ca 0.00 -0.55 -0.41 0.00 0.00 0.00 0.00 46.02 45.06 2kkt n GLY 210 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kkt s VAL 211 N -2.36 4.90 -0.26 1.61 0.11 -1.26 -3.92 120.40 119.22 2kkt s VAL 211 Ca 0.00 1.81 -0.29 0.00 -2.93 0.00 0.00 61.98 60.57 2kkt s VAL 211 Cb 0.00 -4.21 0.01 0.00 -1.53 0.00 0.00 36.38 30.65 2kkt s VAL 211 CO 0.00 0.12 1.14 -0.63 -3.33 0.00 0.00 175.10 172.41 2kkt s ILE 212 N 1.41 4.44 0.26 7.04 1.01 -1.26 -0.59 121.20 133.52 2kkt s ILE 212 Ca 0.45 1.69 -0.01 0.00 0.00 0.00 0.00 60.65 62.77 2kkt s ILE 212 Cb -0.19 -4.26 0.24 0.00 0.01 0.00 0.00 42.46 38.26 2kkt s ILE 212 CO 0.20 -0.34 1.77 -1.28 0.00 0.00 0.00 174.94 175.29 2kkt h SER 213 N 8.18 0.56 0.00 3.58 0.87 -1.88 -3.46 113.55 121.40 2kkt h SER 213 Ca -0.22 0.08 0.00 0.00 -1.23 0.00 0.00 61.79 60.42 2kkt h SER 213 Cb 1.08 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 63.02 2kkt h SER 213 CO 1.01 0.26 0.00 1.21 -0.53 0.00 0.00 176.83 178.77 2kkt n GLU 214 N -4.84 0.00 0.20 2.24 4.07 -1.26 -5.00 120.64 116.05 2kkt n GLU 214 Ca 0.16 0.00 0.14 0.00 -0.06 0.00 0.00 57.16 57.40 2kkt n GLU 214 Cb 0.41 0.00 0.71 0.00 -0.06 0.00 0.00 31.44 32.50 2kkt n GLU 214 CO 0.00 0.00 0.00 0.45 -0.06 0.00 0.00 177.13 177.52 2kkt h HIS 215 N 0.00 0.00 0.00 4.31 3.86 -1.97 0.69 115.15 122.04 2kkt h HIS 215 Ca 0.00 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.17 2kkt h HIS 215 Cb 0.00 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.46 2kkt h HIS 215 CO 0.00 0.00 -0.17 1.15 0.86 0.00 0.00 177.93 179.77 2kkt h THR 216 N 0.00 0.94 -1.25 2.45 2.02 -1.99 -3.44 112.91 111.63 2kkt h THR 216 Ca 0.00 -0.63 0.00 0.00 0.77 0.00 0.00 66.41 66.55 2kkt h THR 216 Cb 0.04 1.36 0.00 0.00 -1.74 0.00 0.00 68.15 67.81 2kkt h THR 216 CO 0.00 0.17 0.00 0.29 0.37 0.00 0.00 175.52 176.35 2kkt n LYS 217 N -4.06 3.21 0.00 6.66 4.76 0.24 -5.14 118.16 123.82 2kkt n LYS 217 Ca -0.02 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.42 2kkt n LYS 217 Cb 0.25 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.44 2kkt n LYS 217 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2kkt n LYS 218 N 0.00 0.00 -1.82 1.97 5.02 -1.26 -4.77 118.16 117.30 2kkt n LYS 218 Ca 0.00 0.00 -0.40 0.00 -2.02 0.00 0.00 58.31 55.89 2kkt n LYS 218 Cb 0.00 0.00 0.02 0.00 -0.02 0.00 0.00 35.03 35.03 2kkt n LYS 218 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 2kkt s MET 219 N 1.21 3.68 0.39 1.97 -1.94 -1.26 -3.12 119.30 120.24 2kkt s MET 219 Ca 0.00 2.38 -0.24 0.00 -1.71 0.00 0.00 55.69 56.13 2kkt s MET 219 Cb 0.00 -2.64 -0.10 0.00 2.01 0.00 0.00 34.83 34.10 2kkt s MET 219 CO 0.00 -0.81 1.00 0.00 -0.01 0.00 0.00 175.02 175.20 2kkt n THR 221 N -0.12 0.00 -1.81 0.00 -2.24 -1.26 0.92 114.28 109.77 2kkt n THR 221 Ca 0.05 -0.48 0.00 0.00 -2.27 0.00 0.00 64.05 61.35 2kkt n THR 221 Cb 0.51 1.26 0.00 0.00 -2.10 0.00 0.00 70.33 70.00 2kkt n THR 221 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2kkt n ARG 222 N 0.60 0.61 -1.05 -0.78 1.74 -1.26 -4.82 116.66 111.71 2kkt n ARG 222 Ca 0.07 0.00 -0.29 0.00 -0.77 0.00 0.00 57.85 56.86 2kkt n ARG 222 Cb 0.33 0.00 0.22 0.00 -1.02 0.00 0.00 32.46 31.98 2kkt n ARG 222 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2kkt s SER 223 N -1.00 1.58 0.09 0.55 0.15 -1.26 0.48 113.70 114.28 2kkt s SER 223 Ca 0.00 0.94 -0.20 0.00 0.70 0.00 0.00 55.95 57.39 2kkt s SER 223 Cb 0.00 -1.43 -0.10 0.00 -1.71 0.00 0.00 66.02 62.78 2kkt s SER 223 CO 0.00 -3.75 1.64 -0.07 1.20 0.00 0.00 173.24 172.26 2kkt h LEU 224 N -2.32 0.23 -0.67 3.45 3.38 -1.82 -2.48 115.31 115.09 2kkt h LEU 224 Ca -0.51 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.32 2kkt h LEU 224 Cb 1.32 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 42.01 2kkt h LEU 224 CO 0.46 0.31 0.00 -2.11 0.09 0.00 0.00 178.44 177.19 2kkt n ARG 225 N -4.87 0.98 -0.37 1.13 -4.01 -1.26 -4.46 116.66 103.81 2kkt n ARG 225 Ca -0.04 0.00 -0.07 0.00 -1.04 0.00 0.00 57.85 56.70 2kkt n ARG 225 Cb 0.11 -1.33 -0.05 0.00 -3.04 0.00 0.00 32.46 28.15 2kkt n ARG 225 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 2kkt n PRO 227 N -5.21 0.00 -0.80 0.00 -0.04 -1.26 -4.98 135.00 122.71 2kkt n PRO 227 Ca 0.04 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.54 2kkt n PRO 227 Cb 0.28 0.00 0.05 0.00 -0.04 0.00 0.00 33.50 33.79 2kkt n PRO 227 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 2kkt n GLN 228 N 0.00 0.36 -1.74 0.54 1.13 -1.26 -5.01 117.38 111.39 2kkt n GLN 228 Ca 0.00 -1.83 -0.40 0.00 -1.94 0.00 0.00 57.00 52.83 2kkt n GLN 228 Cb 0.00 -0.59 -0.03 0.00 0.11 0.00 0.00 30.24 29.73 2kkt n GLN 228 CO 0.00 0.00 0.00 -1.01 -1.44 0.00 0.00 177.06 174.61 2kkt s HIS 229 N -0.76 1.35 0.78 1.08 3.76 -1.26 -4.92 115.29 115.31 2kkt s HIS 229 Ca 0.21 0.93 -0.06 0.00 -0.15 0.00 0.00 55.06 55.98 2kkt s HIS 229 Cb 0.22 -3.88 0.13 0.00 1.11 0.00 0.00 32.58 30.15 2kkt s HIS 229 CO -0.06 -3.07 1.08 0.95 -0.85 0.00 0.00 174.74 172.79 2kkt s THR 230 N 9.39 2.15 0.29 1.30 -4.23 -1.26 -4.55 115.64 118.72 2kkt s THR 230 Ca 0.90 -0.37 0.03 0.00 -1.18 0.00 0.00 61.69 61.07 2kkt s THR 230 Cb -0.22 -2.78 0.29 0.00 1.34 0.00 0.00 72.50 71.13 2kkt s THR 230 CO 0.30 0.00 1.68 -0.78 -0.54 0.00 0.00 174.62 175.27 2kkt h ASP 231 N -0.83 0.20 0.21 3.99 3.58 -1.98 0.28 116.42 121.86 2kkt h ASP 231 Ca -0.40 0.17 -0.01 0.00 0.42 0.00 0.00 57.03 57.20 2kkt h ASP 231 Cb 1.27 0.18 0.00 0.00 1.72 0.00 0.00 39.33 42.50 2kkt h ASP 231 CO 0.44 -0.06 -0.10 -0.33 -2.88 0.00 0.00 179.24 176.31 2kkt h GLU 232 N 0.32 -0.27 -0.15 0.28 5.08 -1.98 -1.77 114.58 116.08 2kkt h GLU 232 Ca 0.55 0.02 -0.11 0.00 -1.00 0.00 0.00 59.36 58.82 2kkt h GLU 232 Cb 1.07 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.37 2kkt h GLU 232 CO -0.57 -0.17 -0.37 1.96 -1.00 0.00 0.00 179.01 178.86 2kkt h GLN 233 N -0.28 0.33 0.00 2.33 4.20 -1.47 0.20 115.11 120.41 2kkt h GLN 233 Ca -0.03 -0.15 -0.18 0.00 0.06 0.00 0.00 58.65 58.35 2kkt h GLN 233 Cb 0.22 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 27.97 2kkt h GLN 233 CO 0.05 0.66 -0.83 0.00 -0.67 0.00 0.00 178.83 178.03 2kkt h ARG 234 N 0.28 0.09 0.08 1.46 2.47 -0.38 -3.19 114.38 115.18 2kkt h ARG 234 Ca 0.03 -0.10 -0.22 0.00 -1.26 0.00 0.00 59.98 58.43 2kkt h ARG 234 Cb 0.78 0.03 0.02 0.00 -1.65 0.00 0.00 29.97 29.15 2kkt h ARG 234 CO 0.06 0.87 -0.92 -0.09 0.56 0.00 0.00 179.97 180.45 2kkt h ARG 235 N 0.05 0.49 -0.84 0.04 2.43 -0.75 -3.35 114.38 112.44 2kkt h ARG 235 Ca -0.02 -0.63 0.19 0.00 -0.81 0.00 0.00 59.98 58.71 2kkt h ARG 235 Cb 1.46 0.20 -0.12 0.00 -0.42 0.00 0.00 29.97 31.09 2kkt h ARG 235 CO 0.12 1.25 0.33 1.15 -1.51 0.00 0.00 179.97 181.32 2kkt h THR 236 N 0.01 0.52 0.00 0.20 2.02 -0.62 -0.20 112.91 114.84 2kkt h THR 236 Ca -0.14 -0.13 -0.21 0.00 0.77 0.00 0.00 66.41 66.70 2kkt h THR 236 Cb 1.64 0.09 -0.03 0.00 -1.74 0.00 0.00 68.15 68.11 2kkt h THR 236 CO 0.18 0.07 -1.06 0.58 0.37 0.00 0.00 175.52 175.66 2kkt h VAL 237 N 0.39 1.49 -0.01 3.16 2.07 -1.69 -0.72 116.25 120.94 2kkt h VAL 237 Ca 0.50 -3.18 -0.24 0.00 0.82 0.00 0.00 66.70 64.61 2kkt h VAL 237 Cb 0.90 2.73 0.01 0.00 -1.52 0.00 0.00 31.29 33.41 2kkt h VAL 237 CO -0.50 0.85 -0.95 0.03 0.02 0.00 0.00 177.57 177.01 2kkt h ARG 238 N 0.00 0.52 -0.26 1.57 3.08 -1.36 0.24 114.38 118.17 2kkt h ARG 238 Ca -0.05 -0.54 -0.10 0.00 0.07 0.00 0.00 59.98 59.36 2kkt h ARG 238 Cb 1.76 0.15 -0.01 0.00 0.08 0.00 0.00 29.97 31.95 2kkt h ARG 238 CO 0.11 1.17 -0.26 0.28 -1.07 0.00 0.00 179.97 180.21 2kkt h VAL 239 N 0.30 1.27 0.06 2.04 2.07 -1.10 0.39 116.25 121.28 2kkt h VAL 239 Ca -0.09 -1.28 -0.00 0.00 0.82 0.00 0.00 66.70 66.14 2kkt h VAL 239 Cb 1.59 1.36 0.00 0.00 -1.52 0.00 0.00 31.29 32.71 2kkt h VAL 239 CO 0.17 0.41 -0.03 0.22 0.02 0.00 0.00 177.57 178.36 2kkt h TYR 240 N 0.43 -0.08 0.00 1.57 3.20 -0.71 -2.73 116.97 118.66 2kkt h TYR 240 Ca 0.06 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.93 2kkt h TYR 240 Cb 0.68 0.03 0.00 0.00 1.54 0.00 0.00 36.73 38.98 2kkt h TYR 240 CO 0.02 0.49 -0.00 0.74 -1.64 0.00 0.00 178.16 177.77 2kkt h PHE 241 N -0.74 -0.00 -0.09 -3.82 0.04 -0.49 -3.39 116.94 108.44 2kkt h PHE 241 Ca -0.01 -0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.76 2kkt h PHE 241 Cb 0.60 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.75 2kkt h PHE 241 CO 0.13 0.81 0.00 1.47 -0.60 0.00 0.00 178.31 180.12 2kkt n LEU 242 N -4.64 2.73 0.00 1.54 -0.00 0.13 -5.05 117.00 111.70 2kkt n LEU 242 Ca -0.08 -1.12 0.00 0.00 -0.00 0.00 0.00 56.01 54.81 2kkt n LEU 242 Cb 0.39 -0.05 0.00 0.00 -0.00 0.00 0.00 43.42 43.76 2kkt n LEU 242 CO 0.28 0.50 0.00 0.61 -0.00 0.00 0.00 177.39 178.78 2kkt n GLY 243 N 1.11 3.23 0.40 1.47 0.00 -0.67 -4.59 105.19 106.14 2kkt n GLY 243 Ca 0.12 -1.65 0.20 0.00 0.00 0.00 0.00 46.02 44.69 2kkt n GLY 243 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2kkt h PRO 244 N 0.00 0.00 -0.00 1.61 0.11 -1.76 0.21 132.00 132.17 2kkt h PRO 244 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 2kkt h PRO 244 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 2kkt h PRO 244 CO 0.00 0.00 -0.13 0.43 -0.21 0.00 0.00 178.00 178.09 2kkt n SER 245 N -3.49 0.33 -4.47 -2.05 7.64 -1.26 -4.57 113.62 105.74 2kkt n SER 245 Ca 0.08 -0.29 -0.44 0.00 1.01 0.00 0.00 58.87 59.23 2kkt n SER 245 Cb 0.70 -0.14 -0.01 0.00 -1.01 0.00 0.00 64.21 63.76 2kkt n SER 245 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2kkt s ALA 246 N -2.65 3.75 -0.60 -0.43 0.00 0.73 -4.87 121.76 117.70 2kkt s ALA 246 Ca 0.24 -3.14 -0.05 0.00 0.00 0.00 0.00 51.96 49.01 2kkt s ALA 246 Cb 0.20 -4.15 0.16 0.00 0.00 0.00 0.00 23.12 19.32 2kkt s ALA 246 CO 0.51 -2.88 0.43 0.08 0.00 0.00 0.00 175.76 173.90 2kkt s VAL 247 N 2.13 3.90 0.64 0.00 1.01 -1.26 -3.89 120.40 122.93 2kkt s VAL 247 Ca 0.41 -2.66 -0.15 0.00 0.00 0.00 0.00 61.98 59.58 2kkt s VAL 247 Cb -0.03 -3.54 -0.01 0.00 0.00 0.00 0.00 36.38 32.79 2kkt s VAL 247 CO -0.02 -0.86 1.08 -0.76 0.00 0.00 0.00 175.10 174.54 2kkt s LEU 248 N 0.28 3.39 0.00 3.92 1.43 -1.26 -5.18 118.68 121.25 2kkt s LEU 248 Ca 0.15 1.85 0.24 0.00 -1.03 0.00 0.00 54.13 55.34 2kkt s LEU 248 Cb -0.20 -4.53 1.46 0.00 0.03 0.00 0.00 46.19 42.94 2kkt s LEU 248 CO -0.04 -1.41 1.82 -2.65 0.23 0.00 0.00 176.35 174.30