#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 0.07 0.06 0.54 4.39 -2.03 0.24 114.58 117.85 2kkt h GLU 199 Ca 0.00 -0.07 -0.00 0.00 0.34 0.00 0.00 59.36 59.63 2kkt h GLU 199 Cb 0.00 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.67 2kkt h GLU 199 CO 0.00 0.81 -0.03 1.49 -1.16 0.00 0.00 179.01 180.12 2kkt h GLU 200 N 0.04 -0.08 -0.56 2.33 4.57 -2.05 -0.02 114.58 118.82 2kkt h GLU 200 Ca -0.02 0.01 -0.02 0.00 -1.18 0.00 0.00 59.36 58.15 2kkt h GLU 200 Cb 1.36 0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 29.94 2kkt h GLU 200 CO 0.11 0.12 0.27 1.25 -1.18 0.00 0.00 179.01 179.57 2kkt h LEU 201 N -0.26 0.72 -1.43 1.64 6.46 -1.95 0.77 115.31 121.28 2kkt h LEU 201 Ca -0.01 -0.13 -0.04 0.00 -0.12 0.00 0.00 57.88 57.59 2kkt h LEU 201 Cb 0.23 -0.19 -0.01 0.00 -0.73 0.00 0.00 40.66 39.96 2kkt h LEU 201 CO 0.01 0.65 -0.02 -0.09 -0.62 0.00 0.00 178.44 178.37 2kkt h ARG 202 N 0.75 0.35 0.00 1.25 2.43 -0.44 -0.72 114.38 118.00 2kkt h ARG 202 Ca 0.19 -0.06 -0.12 0.00 -0.81 0.00 0.00 59.98 59.18 2kkt h ARG 202 Cb 0.11 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.59 2kkt h ARG 202 CO -0.02 0.40 -0.57 0.77 -1.51 0.00 0.00 179.97 179.04 2kkt h SER 203 N 0.34 0.00 0.54 -3.80 0.02 0.03 -3.24 113.55 107.44 2kkt h SER 203 Ca 0.08 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 61.00 2kkt h SER 203 Cb 0.26 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.81 2kkt h SER 203 CO 0.01 0.57 -0.26 0.25 -1.14 0.00 0.00 176.83 176.26 2kkt h LEU 204 N 0.00 -0.61 -0.08 5.07 6.46 0.48 -3.21 115.31 123.42 2kkt h LEU 204 Ca -0.01 -0.05 0.00 0.00 -0.12 0.00 0.00 57.88 57.70 2kkt h LEU 204 Cb 1.17 0.16 0.00 0.00 -0.73 0.00 0.00 40.66 41.26 2kkt h LEU 204 CO 0.07 -0.27 0.11 0.18 -0.62 0.00 0.00 178.44 177.91 2kkt n LEU 205 N -5.31 0.03 -0.01 2.25 7.99 -0.43 -0.22 117.00 121.30 2kkt n LEU 205 Ca -0.11 0.41 -0.07 0.00 -0.01 0.00 0.00 56.01 56.23 2kkt n LEU 205 Cb 0.33 -0.41 0.11 0.00 -0.11 0.00 0.00 43.42 43.33 2kkt n LEU 205 CO 0.31 -0.42 0.60 0.74 -1.51 0.00 0.00 177.39 177.11 2kkt h THR 206 N 0.00 1.30 0.00 -5.08 2.02 -1.65 -3.39 112.91 106.11 2kkt h THR 206 Ca 0.00 -1.56 0.00 0.00 0.77 0.00 0.00 66.41 65.62 2kkt h THR 206 Cb 0.22 1.54 0.00 0.00 -1.74 0.00 0.00 68.15 68.17 2kkt h THR 206 CO 0.00 0.49 0.00 1.07 0.37 0.00 0.00 175.52 177.45 2kkt n THR 207 N -4.03 0.00 -4.64 3.16 5.66 -0.45 -5.02 114.28 108.95 2kkt n THR 207 Ca -0.02 0.00 -0.33 0.00 -3.05 0.00 0.00 64.05 60.65 2kkt n THR 207 Cb 0.51 1.73 -0.13 0.00 -1.55 0.00 0.00 70.33 70.89 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 3.44 0.03 1.09 -1.52 0.69 -3.67 119.66 119.72 2kkt s GLN 208 Ca 0.00 -0.62 -0.07 0.00 -1.95 0.00 0.00 55.36 52.73 2kkt s GLN 208 Cb 0.00 -2.73 -0.02 0.00 -0.22 0.00 0.00 33.01 30.04 2kkt s GLN 208 CO 0.00 0.26 1.11 0.00 -0.25 0.00 0.00 175.29 176.41 2kkt n GLY 210 N -1.07 1.27 3.70 0.00 0.00 0.93 -4.83 105.19 105.19 2kkt n GLY 210 Ca -0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 -3.06 3.23 -0.17 1.61 0.11 -1.26 -3.51 120.40 117.34 2kkt s VAL 211 Ca 0.00 0.77 -0.29 0.00 -2.93 0.00 0.00 61.98 59.53 2kkt s VAL 211 Cb 0.00 -3.49 -0.02 0.00 -1.53 0.00 0.00 36.38 31.33 2kkt s VAL 211 CO 0.00 0.02 1.42 -0.63 -3.33 0.00 0.00 175.10 172.59 2kkt s ILE 212 N 1.91 3.99 -0.65 7.04 1.01 -1.26 0.00 121.20 133.25 2kkt s ILE 212 Ca 0.68 1.18 -0.27 0.00 0.00 0.00 0.00 60.65 62.24 2kkt s ILE 212 Cb -0.37 -3.85 0.00 0.00 0.01 0.00 0.00 42.46 38.25 2kkt s ILE 212 CO 0.30 -0.20 1.59 -0.55 0.00 0.00 0.00 174.94 176.08 2kkt s SER 213 N 2.82 5.71 -0.47 3.58 0.15 0.11 -3.95 113.70 121.65 2kkt s SER 213 Ca 0.62 0.04 0.00 0.00 0.70 0.00 0.00 55.95 57.31 2kkt s SER 213 Cb -0.24 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.53 2kkt s SER 213 CO 0.22 -2.09 0.00 -0.62 1.20 0.00 0.00 173.24 171.95 2kkt n GLU 214 N 9.20 -1.88 0.00 5.44 4.71 -1.26 -2.00 120.64 134.86 2kkt n GLU 214 Ca 0.13 0.64 0.00 0.00 -0.01 0.00 0.00 57.16 57.91 2kkt n GLU 214 Cb 0.50 -5.04 0.00 0.00 -1.01 0.00 0.00 31.44 25.89 2kkt n GLU 214 CO 0.00 0.00 0.00 0.72 0.09 0.00 0.00 177.13 177.94 2kkt n HIS 215 N -2.01 0.00 0.15 -0.32 8.25 -1.25 -4.60 115.22 115.43 2kkt n HIS 215 Ca -0.04 0.00 0.02 0.00 -0.26 0.00 0.00 57.72 57.44 2kkt n HIS 215 Cb 0.52 -0.02 0.13 0.00 1.12 0.00 0.00 29.99 31.74 2kkt n HIS 215 CO 0.00 0.00 0.00 1.79 0.64 0.00 0.00 176.34 178.77 2kkt h THR 216 N 0.00 1.03 0.00 1.59 1.35 -1.94 -3.41 112.91 111.53 2kkt h THR 216 Ca 0.00 -2.12 0.00 0.00 -0.55 0.00 0.00 66.41 63.74 2kkt h THR 216 Cb 0.00 2.28 0.00 0.00 -1.73 0.00 0.00 68.15 68.70 2kkt h THR 216 CO 0.00 0.52 0.00 1.17 -0.25 0.00 0.00 175.52 176.96 2kkt n LYS 217 N -3.39 0.00 -1.11 4.72 4.81 -0.84 -5.11 118.16 117.23 2kkt n LYS 217 Ca 0.01 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.45 2kkt n LYS 217 Cb 0.67 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.72 2kkt n LYS 217 CO 0.00 0.00 0.00 0.36 1.17 0.00 0.00 177.40 178.93 2kkt n LYS 218 N 0.00 0.00 -2.72 1.64 2.85 -1.25 -4.98 118.16 113.70 2kkt n LYS 218 Ca 0.00 0.00 -0.32 0.00 -1.05 0.00 0.00 58.31 56.94 2kkt n LYS 218 Cb 0.00 0.00 -0.05 0.00 -0.65 0.00 0.00 35.03 34.33 2kkt n LYS 218 CO 0.00 0.00 0.00 -1.64 -0.05 0.00 0.00 177.40 175.71 2kkt s MET 219 N -0.74 3.99 0.45 -1.58 -1.94 -1.26 0.05 119.30 118.27 2kkt s MET 219 Ca 0.00 0.84 -0.20 0.00 -1.71 0.00 0.00 55.69 54.62 2kkt s MET 219 Cb 0.00 -2.25 -0.10 0.00 2.01 0.00 0.00 34.83 34.49 2kkt s MET 219 CO 0.00 -0.09 0.96 0.00 -0.01 0.00 0.00 175.02 175.88 2kkt n THR 221 N -0.91 0.00 -1.28 0.00 5.66 -1.26 -0.05 114.28 116.44 2kkt n THR 221 Ca 0.07 -0.46 -0.04 0.00 -3.05 0.00 0.00 64.05 60.57 2kkt n THR 221 Cb 0.54 1.07 0.03 0.00 -1.55 0.00 0.00 70.33 70.42 2kkt n THR 221 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 2kkt n ARG 222 N -0.07 -0.09 -0.83 1.09 3.00 -1.26 -4.76 116.66 113.74 2kkt n ARG 222 Ca 0.00 -0.31 -0.28 0.00 -0.01 0.00 0.00 57.85 57.25 2kkt n ARG 222 Cb 0.02 -0.18 0.22 0.00 0.00 0.00 0.00 32.46 32.52 2kkt n ARG 222 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 2kkt s SER 223 N -1.68 1.51 0.09 0.55 0.15 -1.26 0.59 113.70 113.66 2kkt s SER 223 Ca 0.11 1.28 -0.31 0.00 0.70 0.00 0.00 55.95 57.73 2kkt s SER 223 Cb -0.00 -2.00 -0.13 0.00 -1.71 0.00 0.00 66.02 62.17 2kkt s SER 223 CO 0.07 -3.84 1.62 -0.07 1.20 0.00 0.00 173.24 172.22 2kkt h LEU 224 N -2.38 -0.92 -0.05 3.45 3.38 -1.82 -2.76 115.31 114.22 2kkt h LEU 224 Ca -0.58 0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.46 2kkt h LEU 224 Cb 1.34 0.31 0.00 0.00 0.09 0.00 0.00 40.66 42.40 2kkt h LEU 224 CO 0.53 -0.49 0.00 -2.11 0.09 0.00 0.00 178.44 176.46 2kkt n ARG 225 N -5.45 0.64 -0.16 1.13 -4.01 -1.26 -4.56 116.66 102.98 2kkt n ARG 225 Ca -0.10 0.00 -0.04 0.00 -1.04 0.00 0.00 57.85 56.67 2kkt n ARG 225 Cb 0.36 -1.02 -0.04 0.00 -3.04 0.00 0.00 32.46 28.72 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 -3.87 0.00 -0.03 0.00 -0.04 -1.26 -4.97 135.00 124.83 2kkt n PRO 227 Ca 0.01 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.52 2kkt n PRO 227 Cb 0.10 0.00 0.06 0.00 -0.04 0.00 0.00 33.50 33.62 2kkt n PRO 227 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 2kkt n GLN 228 N 0.00 0.83 -1.83 0.54 7.27 -1.26 -4.94 117.38 117.98 2kkt n GLN 228 Ca 0.00 -1.24 -0.42 0.00 0.07 0.00 0.00 57.00 55.41 2kkt n GLN 228 Cb 0.00 -1.19 -0.03 0.00 2.41 0.00 0.00 30.24 31.43 2kkt n GLN 228 CO 0.00 0.00 0.00 -1.01 0.07 0.00 0.00 177.06 176.12 2kkt s HIS 229 N -0.83 2.30 0.64 3.69 3.76 -1.26 -4.98 115.29 118.61 2kkt s HIS 229 Ca 0.13 0.17 0.02 0.00 -0.15 0.00 0.00 55.06 55.22 2kkt s HIS 229 Cb 0.08 -4.06 0.09 0.00 1.11 0.00 0.00 32.58 29.81 2kkt s HIS 229 CO 0.12 -4.31 0.89 0.95 -0.85 0.00 0.00 174.74 171.54 2kkt s THR 230 N 2.69 2.29 0.36 1.30 -4.23 -1.26 -4.76 115.64 112.03 2kkt s THR 230 Ca 0.77 -0.70 0.17 0.00 -1.18 0.00 0.00 61.69 60.75 2kkt s THR 230 Cb -0.43 -2.59 0.16 0.00 1.34 0.00 0.00 72.50 70.99 2kkt s THR 230 CO 0.34 0.00 1.90 -2.24 -0.54 0.00 0.00 174.62 174.08 2kkt h ASP 231 N -0.21 0.00 -0.49 3.99 2.03 -1.95 -2.12 116.42 117.66 2kkt h ASP 231 Ca -0.37 0.00 -0.05 0.00 -0.73 0.00 0.00 57.03 55.89 2kkt h ASP 231 Cb 1.28 0.00 -0.03 0.00 -0.83 0.00 0.00 39.33 39.75 2kkt h ASP 231 CO 0.43 0.28 0.15 -0.33 -1.03 0.00 0.00 179.24 178.74 2kkt h GLU 232 N 0.00 0.83 -0.08 4.15 5.08 -1.99 -1.68 114.58 120.89 2kkt h GLU 232 Ca -0.00 -0.16 -0.16 0.00 -1.00 0.00 0.00 59.36 58.04 2kkt h GLU 232 Cb 0.57 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 2kkt h GLU 232 CO 0.04 0.73 -0.64 1.96 -1.00 0.00 0.00 179.01 180.10 2kkt h GLN 233 N 0.80 0.32 -0.03 2.33 4.20 -1.77 0.12 115.11 121.08 2kkt h GLN 233 Ca 0.18 -0.23 -0.11 0.00 0.06 0.00 0.00 58.65 58.55 2kkt h GLN 233 Cb 0.27 0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.07 2kkt h GLN 233 CO -0.00 0.85 -0.48 0.00 -0.67 0.00 0.00 178.83 178.53 2kkt h ARG 234 N 0.23 0.08 0.01 1.46 2.47 -0.96 -2.12 114.38 115.54 2kkt h ARG 234 Ca -0.01 -0.04 -0.10 0.00 -1.26 0.00 0.00 59.98 58.57 2kkt h ARG 234 Cb 1.17 0.00 0.01 0.00 -1.65 0.00 0.00 29.97 29.50 2kkt h ARG 234 CO 0.10 0.54 -0.38 -0.09 0.56 0.00 0.00 179.97 180.70 2kkt h ARG 235 N 0.06 0.24 -0.54 0.04 2.43 -1.19 -3.30 114.38 112.12 2kkt h ARG 235 Ca 0.00 -0.27 0.11 0.00 -0.81 0.00 0.00 59.98 59.01 2kkt h ARG 235 Cb 0.87 0.08 -0.10 0.00 -0.42 0.00 0.00 29.97 30.39 2kkt h ARG 235 CO 0.07 1.00 -0.13 1.15 -1.51 0.00 0.00 179.97 180.55 2kkt h THR 236 N -0.41 0.47 0.00 0.20 2.02 -0.41 -0.86 112.91 113.92 2kkt h THR 236 Ca -0.05 -0.00 -0.14 0.00 0.77 0.00 0.00 66.41 66.98 2kkt h THR 236 Cb 1.14 0.46 -0.02 0.00 -1.74 0.00 0.00 68.15 67.99 2kkt h THR 236 CO 0.07 0.00 -0.68 1.62 0.37 0.00 0.00 175.52 176.90 2kkt h VAL 237 N 0.01 1.43 0.08 3.16 3.04 -1.53 0.52 116.25 122.96 2kkt h VAL 237 Ca 0.26 -2.37 -0.28 0.00 -1.01 0.00 0.00 66.70 63.29 2kkt h VAL 237 Cb 0.40 2.30 0.03 0.00 -2.01 0.00 0.00 31.29 32.00 2kkt h VAL 237 CO -0.55 0.67 -1.16 0.03 -1.01 0.00 0.00 177.57 175.55 2kkt h ARG 238 N 0.00 0.65 -0.58 4.17 3.08 -1.40 0.16 114.38 120.45 2kkt h ARG 238 Ca -0.01 -0.80 -0.06 0.00 0.07 0.00 0.00 59.98 59.19 2kkt h ARG 238 Cb 1.24 0.25 -0.02 0.00 0.08 0.00 0.00 29.97 31.52 2kkt h ARG 238 CO 0.09 1.36 0.15 0.28 -1.07 0.00 0.00 179.97 180.77 2kkt h VAL 239 N 0.30 1.25 0.12 2.04 2.07 -1.08 0.44 116.25 121.38 2kkt h VAL 239 Ca -0.17 -0.89 -0.01 0.00 0.82 0.00 0.00 66.70 66.46 2kkt h VAL 239 Cb 1.83 0.71 0.00 0.00 -1.52 0.00 0.00 31.29 32.31 2kkt h VAL 239 CO 0.22 0.33 -0.06 0.22 0.02 0.00 0.00 177.57 178.31 2kkt h TYR 240 N 0.84 -0.15 0.02 1.57 5.03 -0.79 -3.03 116.97 120.45 2kkt h TYR 240 Ca 0.18 -0.00 -0.00 0.00 2.58 0.00 0.00 58.73 61.49 2kkt h TYR 240 Cb 0.34 0.05 0.00 0.00 1.55 0.00 0.00 36.73 38.67 2kkt h TYR 240 CO 0.02 0.10 -0.01 0.74 -1.32 0.00 0.00 178.16 177.70 2kkt h PHE 241 N -0.39 -0.02 -0.01 -3.82 0.04 -0.82 -3.41 116.94 108.51 2kkt h PHE 241 Ca -0.02 -0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.75 2kkt h PHE 241 Cb 0.32 0.01 0.00 0.00 2.20 0.00 0.00 35.95 38.47 2kkt h PHE 241 CO 0.00 0.61 -0.17 1.47 -0.60 0.00 0.00 178.31 179.62 2kkt n LEU 242 N -4.70 1.09 0.00 1.54 -0.00 0.14 -5.07 117.00 110.00 2kkt n LEU 242 Ca -0.07 -0.76 0.00 0.00 -0.00 0.00 0.00 56.01 55.18 2kkt n LEU 242 Cb 0.31 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.73 2kkt n LEU 242 CO 0.23 0.22 0.00 0.61 -0.00 0.00 0.00 177.39 178.45 2kkt n GLY 243 N 0.82 3.70 0.08 1.47 0.00 -0.69 -4.85 105.19 105.72 2kkt n GLY 243 Ca 0.03 -1.68 0.08 0.00 0.00 0.00 0.00 46.02 44.46 2kkt n GLY 243 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2kkt n PRO 244 N -1.28 0.10 0.00 1.61 -0.04 -1.25 -1.84 135.00 132.29 2kkt n PRO 244 Ca 0.00 0.44 0.14 0.00 -0.04 0.00 0.00 63.50 64.04 2kkt n PRO 244 Cb 0.00 -1.73 0.68 0.00 -0.04 0.00 0.00 33.50 32.41 2kkt n PRO 244 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2kkt n SER 245 N -1.92 0.00 -0.98 3.54 7.64 -1.26 -3.82 113.62 116.82 2kkt n SER 245 Ca 0.01 0.05 -0.02 0.00 1.01 0.00 0.00 58.87 59.93 2kkt n SER 245 Cb 0.13 -0.35 0.03 0.00 -1.01 0.00 0.00 64.21 63.02 2kkt n SER 245 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2kkt n ALA 246 N -1.35 2.82 -3.40 -0.43 0.00 -0.77 -4.53 120.51 112.86 2kkt n ALA 246 Ca 0.12 -0.33 -0.43 0.00 0.00 0.00 0.00 53.44 52.80 2kkt n ALA 246 Cb 0.25 -1.04 -0.01 0.00 0.00 0.00 0.00 19.45 18.65 2kkt n ALA 246 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2kkt n VAL 247 N 0.21 4.24 -3.06 0.00 0.31 -1.25 -4.79 118.33 113.99 2kkt n VAL 247 Ca 0.06 -5.34 -0.39 0.00 -0.01 0.00 0.00 64.34 58.66 2kkt n VAL 247 Cb 0.55 -2.53 -0.05 0.00 -0.91 0.00 0.00 33.84 30.89 2kkt n VAL 247 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 2kkt s LEU 248 N -1.36 4.49 0.00 7.52 2.01 -1.26 -5.21 118.68 124.87 2kkt s LEU 248 Ca 0.30 1.41 0.13 0.00 0.01 0.00 0.00 54.13 55.99 2kkt s LEU 248 Cb -0.09 -3.14 0.79 0.00 0.01 0.00 0.00 46.19 43.76 2kkt s LEU 248 CO -0.09 0.11 1.22 -2.65 1.01 0.00 0.00 176.35 175.95