#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 -0.14 0.00 0.54 3.07 -2.02 -3.15 114.58 112.87 2kkt h GLU 199 Ca 0.00 0.01 -0.03 0.00 -0.50 0.00 0.00 59.36 58.84 2kkt h GLU 199 Cb 0.00 0.03 -0.00 0.00 -0.84 0.00 0.00 28.75 27.94 2kkt h GLU 199 CO 0.00 0.24 -0.13 1.05 -1.40 0.00 0.00 179.01 178.77 2kkt h GLU 200 N -0.97 0.00 -0.38 2.33 9.09 -2.04 -2.56 114.58 120.05 2kkt h GLU 200 Ca -0.02 0.00 -0.02 0.00 0.05 0.00 0.00 59.36 59.38 2kkt h GLU 200 Cb 0.44 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.53 2kkt h GLU 200 CO 0.02 0.13 0.18 1.25 0.05 0.00 0.00 179.01 180.64 2kkt h LEU 201 N 0.00 0.50 -1.20 3.06 6.46 -1.98 0.70 115.31 122.84 2kkt h LEU 201 Ca -0.00 -0.14 -0.00 0.00 -0.12 0.00 0.00 57.88 57.62 2kkt h LEU 201 Cb 0.80 -0.13 -0.04 0.00 -0.73 0.00 0.00 40.66 40.57 2kkt h LEU 201 CO 0.02 0.50 0.43 -0.09 -0.62 0.00 0.00 178.44 178.68 2kkt h ARG 202 N 0.47 0.98 -0.39 1.25 2.43 -1.42 -0.82 114.38 116.88 2kkt h ARG 202 Ca 0.13 -0.09 -0.15 0.00 -0.81 0.00 0.00 59.98 59.06 2kkt h ARG 202 Cb 0.13 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 29.47 2kkt h ARG 202 CO -0.02 0.69 -0.36 1.03 -1.51 0.00 0.00 179.97 179.80 2kkt h SER 203 N 0.99 0.96 0.25 -3.80 0.87 -1.09 -3.25 113.55 108.49 2kkt h SER 203 Ca 0.26 -0.43 0.01 0.00 -1.23 0.00 0.00 61.79 60.40 2kkt h SER 203 Cb -0.04 -0.27 -0.03 0.00 -0.44 0.00 0.00 62.40 61.62 2kkt h SER 203 CO -0.05 1.21 -0.40 0.25 -0.53 0.00 0.00 176.83 177.31 2kkt h LEU 204 N 0.75 -1.15 -0.93 2.23 6.46 0.14 -1.78 115.31 121.03 2kkt h LEU 204 Ca 0.07 0.11 0.00 0.00 -0.12 0.00 0.00 57.88 57.94 2kkt h LEU 204 Cb 0.94 0.41 0.00 0.00 -0.73 0.00 0.00 40.66 41.28 2kkt h LEU 204 CO 0.09 -0.51 0.21 0.18 -0.62 0.00 0.00 178.44 177.78 2kkt n LEU 205 N -5.48 0.36 0.08 2.25 7.99 -0.41 0.76 117.00 122.55 2kkt n LEU 205 Ca -0.09 0.59 -0.07 0.00 -0.01 0.00 0.00 56.01 56.43 2kkt n LEU 205 Cb 0.38 -0.57 -0.06 0.00 -0.11 0.00 0.00 43.42 43.07 2kkt n LEU 205 CO 0.23 -0.71 0.20 0.74 -1.51 0.00 0.00 177.39 176.34 2kkt h THR 206 N 0.00 1.62 0.00 -5.08 2.02 -1.38 -3.40 112.91 106.69 2kkt h THR 206 Ca 0.00 -3.06 0.00 0.00 0.77 0.00 0.00 66.41 64.12 2kkt h THR 206 Cb 0.41 2.68 0.00 0.00 -1.74 0.00 0.00 68.15 69.50 2kkt h THR 206 CO 0.00 0.88 -0.55 1.07 0.37 0.00 0.00 175.52 177.29 2kkt n THR 207 N -3.49 0.00 -3.90 3.16 5.66 -0.15 -4.96 114.28 110.60 2kkt n THR 207 Ca -0.01 0.00 -0.35 0.00 -3.05 0.00 0.00 64.05 60.63 2kkt n THR 207 Cb 0.87 -0.05 -0.08 0.00 -1.55 0.00 0.00 70.33 69.52 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 -1.28 3.87 0.00 1.09 -1.52 0.23 -3.59 119.66 118.46 2kkt s GLN 208 Ca 0.00 -0.26 0.00 0.00 -1.95 0.00 0.00 55.36 53.15 2kkt s GLN 208 Cb 0.00 -3.25 0.00 0.00 -0.22 0.00 0.00 33.01 29.54 2kkt s GLN 208 CO 0.00 0.42 0.61 0.00 -0.25 0.00 0.00 175.29 176.08 2kkt n GLY 210 N -0.86 0.52 3.72 0.00 0.00 0.23 -4.73 105.19 104.06 2kkt n GLY 210 Ca 0.00 -0.19 -0.42 0.00 0.00 0.00 0.00 46.02 45.41 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 -1.80 4.20 -0.63 1.61 0.11 -1.26 -3.80 120.40 118.82 2kkt s VAL 211 Ca 0.00 1.64 -0.24 0.00 -2.93 0.00 0.00 61.98 60.45 2kkt s VAL 211 Cb 0.00 -4.05 0.05 0.00 -1.53 0.00 0.00 36.38 30.85 2kkt s VAL 211 CO 0.00 0.16 1.02 -0.63 -3.33 0.00 0.00 175.10 172.32 2kkt s ILE 212 N 0.77 4.23 0.23 7.04 1.01 -1.25 -0.56 121.20 132.66 2kkt s ILE 212 Ca 0.55 0.06 -0.06 0.00 0.00 0.00 0.00 60.65 61.20 2kkt s ILE 212 Cb -0.27 -4.68 0.13 0.00 0.01 0.00 0.00 42.46 37.65 2kkt s ILE 212 CO 0.30 -1.40 1.75 -1.28 0.00 0.00 0.00 174.94 174.31 2kkt h SER 213 N 9.56 0.99 -4.68 3.58 0.87 -1.89 -3.46 113.55 118.53 2kkt h SER 213 Ca -0.28 -0.20 0.08 0.00 -1.23 0.00 0.00 61.79 60.16 2kkt h SER 213 Cb 1.07 -0.26 -0.15 0.00 -0.44 0.00 0.00 62.40 62.61 2kkt h SER 213 CO 1.17 0.95 0.43 -0.70 -0.53 0.00 0.00 176.83 178.15 2kkt s GLU 214 N -5.29 0.89 0.51 2.24 2.12 -1.26 -4.99 118.70 112.92 2kkt s GLU 214 Ca -0.11 -0.27 0.16 0.00 0.36 0.00 0.00 54.97 55.11 2kkt s GLU 214 Cb 0.15 0.41 1.22 0.00 0.26 0.00 0.00 34.13 36.18 2kkt s GLU 214 CO 0.83 -0.38 2.13 0.45 -0.54 0.00 0.00 175.26 177.75 2kkt h HIS 215 N 2.10 0.01 0.00 5.30 3.86 -1.92 0.22 115.15 124.72 2kkt h HIS 215 Ca -0.24 0.00 -0.15 0.00 -1.16 0.00 0.00 60.37 58.82 2kkt h HIS 215 Cb 1.24 -0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.68 2kkt h HIS 215 CO 0.26 0.03 -0.92 1.15 0.86 0.00 0.00 177.93 179.32 2kkt h THR 216 N 0.01 0.92 0.02 2.45 2.02 -2.00 -3.29 112.91 113.04 2kkt h THR 216 Ca 0.00 -2.41 -0.26 0.00 0.77 0.00 0.00 66.41 64.52 2kkt h THR 216 Cb 0.04 2.39 -0.03 0.00 -1.74 0.00 0.00 68.15 68.81 2kkt h THR 216 CO 0.00 0.52 -1.39 0.50 0.37 0.00 0.00 175.52 175.53 2kkt h LYS 217 N 0.00 0.04 0.00 6.66 3.64 -1.59 -3.50 116.57 121.83 2kkt h LYS 217 Ca -0.07 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.25 2kkt h LYS 217 Cb 1.55 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.39 2kkt h LYS 217 CO 0.07 0.81 0.00 1.17 -2.27 0.00 0.00 179.45 179.23 2kkt n LYS 218 N -3.24 0.00 -2.17 1.90 4.81 0.64 -4.81 118.16 115.28 2kkt n LYS 218 Ca -0.10 0.00 -0.41 0.00 -0.87 0.00 0.00 58.31 56.93 2kkt n LYS 218 Cb 1.00 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 36.03 2kkt n LYS 218 CO 0.00 0.00 0.00 -1.64 1.17 0.00 0.00 177.40 176.93 2kkt s MET 219 N 0.00 4.37 0.53 1.64 -1.94 -1.26 -3.04 119.30 119.59 2kkt s MET 219 Ca 0.00 2.11 -0.19 0.00 -1.71 0.00 0.00 55.69 55.90 2kkt s MET 219 Cb 0.00 -3.17 -0.07 0.00 2.01 0.00 0.00 34.83 33.60 2kkt s MET 219 CO 0.00 -0.28 1.06 0.00 -0.01 0.00 0.00 175.02 175.80 2kkt n THR 221 N -1.33 0.00 -1.15 0.00 -2.24 -1.26 0.76 114.28 109.07 2kkt n THR 221 Ca 0.10 -0.28 -0.17 0.00 -2.27 0.00 0.00 64.05 61.42 2kkt n THR 221 Cb 0.52 0.30 0.13 0.00 -2.10 0.00 0.00 70.33 69.19 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 -1.86 -1.56 -0.85 -0.78 1.74 -1.26 -4.67 116.66 107.41 2kkt n ARG 222 Ca -0.02 -1.10 -0.29 0.00 -0.77 0.00 0.00 57.85 55.68 2kkt n ARG 222 Cb 0.31 -0.88 0.23 0.00 -1.02 0.00 0.00 32.46 31.10 2kkt n ARG 222 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 2kkt s SER 223 N -3.50 1.36 0.15 0.55 0.01 -1.26 0.32 113.70 111.33 2kkt s SER 223 Ca 0.42 1.18 -0.16 0.00 1.31 0.00 0.00 55.95 58.70 2kkt s SER 223 Cb -0.03 -1.81 0.01 0.00 0.21 0.00 0.00 66.02 64.40 2kkt s SER 223 CO 0.31 -3.91 1.81 -0.07 0.41 0.00 0.00 173.24 171.79 2kkt h LEU 224 N -2.43 0.42 0.00 2.44 3.38 -1.80 -2.14 115.31 115.18 2kkt h LEU 224 Ca -0.56 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.41 2kkt h LEU 224 Cb 1.33 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.98 2kkt h LEU 224 CO 0.50 0.31 0.00 -1.14 0.09 0.00 0.00 178.44 178.19 2kkt n ARG 225 N -4.83 0.16 -0.03 1.13 3.00 -1.26 -4.59 116.66 110.23 2kkt n ARG 225 Ca 0.00 0.15 -0.01 0.00 -0.00 0.00 0.00 57.85 58.00 2kkt n ARG 225 Cb 0.03 -1.50 -0.01 0.00 0.00 0.00 0.00 32.46 30.98 2kkt n ARG 225 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2kkt n PRO 227 N -3.51 0.00 -0.34 0.00 -0.04 -1.26 -4.96 135.00 124.89 2kkt n PRO 227 Ca 0.00 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.47 2kkt n PRO 227 Cb 0.02 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 33.49 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 0.22 -1.61 0.54 7.27 -1.26 -5.04 117.38 117.49 2kkt n GLN 228 Ca 0.00 -1.07 -0.43 0.00 0.07 0.00 0.00 57.00 55.57 2kkt n GLN 228 Cb 0.00 -0.61 -0.03 0.00 2.41 0.00 0.00 30.24 32.01 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 -0.32 1.17 0.76 3.69 3.76 -1.26 -4.93 115.29 118.16 2kkt s HIS 229 Ca 0.03 0.52 -0.05 0.00 -0.15 0.00 0.00 55.06 55.42 2kkt s HIS 229 Cb 0.03 -3.93 0.13 0.00 1.11 0.00 0.00 32.58 29.91 2kkt s HIS 229 CO 0.00 -4.10 1.05 0.95 -0.85 0.00 0.00 174.74 171.79 2kkt s THR 230 N 8.25 2.16 0.26 1.30 -4.23 -1.26 -4.61 115.64 117.51 2kkt s THR 230 Ca 1.00 -0.42 -0.02 0.00 -1.18 0.00 0.00 61.69 61.07 2kkt s THR 230 Cb -0.33 -2.74 0.25 0.00 1.34 0.00 0.00 72.50 71.02 2kkt s THR 230 CO 0.35 0.00 1.84 -0.78 -0.54 0.00 0.00 174.62 175.49 2kkt h ASP 231 N -0.74 0.86 -0.81 3.99 3.58 -1.97 0.26 116.42 121.59 2kkt h ASP 231 Ca -0.40 0.04 -0.03 0.00 0.42 0.00 0.00 57.03 57.06 2kkt h ASP 231 Cb 1.27 -0.14 -0.04 0.00 1.72 0.00 0.00 39.33 42.14 2kkt h ASP 231 CO 0.43 0.50 0.38 -0.33 -2.88 0.00 0.00 179.24 177.34 2kkt h GLU 232 N 0.97 1.17 -0.09 0.28 3.07 -1.98 0.46 114.58 118.46 2kkt h GLU 232 Ca 0.44 -0.18 -0.14 0.00 -0.50 0.00 0.00 59.36 58.99 2kkt h GLU 232 Cb 0.34 -0.21 -0.01 0.00 -0.84 0.00 0.00 28.75 28.03 2kkt h GLU 232 CO -0.23 0.91 -0.54 1.96 -1.40 0.00 0.00 179.01 179.70 2kkt h GLN 233 N 1.16 0.26 0.04 2.33 4.20 -1.58 0.32 115.11 121.84 2kkt h GLN 233 Ca 0.28 -0.16 -0.27 0.00 0.06 0.00 0.00 58.65 58.55 2kkt h GLN 233 Cb 0.13 0.02 0.02 0.00 0.30 0.00 0.00 27.48 27.95 2kkt h GLN 233 CO -0.03 0.74 -1.10 0.00 -0.67 0.00 0.00 178.83 177.77 2kkt h ARG 234 N 0.20 0.64 -0.04 1.46 2.47 0.75 -3.33 114.38 116.53 2kkt h ARG 234 Ca 0.00 -0.74 -0.07 0.00 -1.26 0.00 0.00 59.98 57.92 2kkt h ARG 234 Cb 1.02 0.22 0.00 0.00 -1.65 0.00 0.00 29.97 29.57 2kkt h ARG 234 CO 0.09 1.32 -0.23 -0.09 0.56 0.00 0.00 179.97 181.61 2kkt h ARG 235 N 0.34 0.23 -0.61 0.04 2.43 -0.05 -3.34 114.38 113.42 2kkt h ARG 235 Ca -0.14 -0.19 0.15 0.00 -0.81 0.00 0.00 59.98 58.99 2kkt h ARG 235 Cb 1.76 0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 31.32 2kkt h ARG 235 CO 0.21 0.86 0.43 0.00 -1.51 0.00 0.00 179.97 179.95 2kkt h THR 236 N -0.33 0.75 0.01 0.20 1.03 -0.48 -0.46 112.91 113.62 2kkt h THR 236 Ca -0.02 -0.05 -0.21 0.00 -0.01 0.00 0.00 66.41 66.13 2kkt h THR 236 Cb 0.91 0.60 -0.03 0.00 -1.07 0.00 0.00 68.15 68.56 2kkt h THR 236 CO 0.05 0.03 -0.99 0.58 -0.01 0.00 0.00 175.52 175.17 2kkt h VAL 237 N 0.14 1.68 0.01 0.00 2.07 -1.68 -0.02 116.25 118.45 2kkt h VAL 237 Ca 0.29 -3.29 -0.22 0.00 0.82 0.00 0.00 66.70 64.31 2kkt h VAL 237 Cb 0.97 2.80 0.02 0.00 -1.52 0.00 0.00 31.29 33.56 2kkt h VAL 237 CO -0.04 0.94 -0.86 0.03 0.02 0.00 0.00 177.57 177.66 2kkt h ARG 238 N 0.01 0.57 -0.53 1.57 3.08 -1.26 0.11 114.38 117.93 2kkt h ARG 238 Ca -0.02 -0.63 -0.03 0.00 0.07 0.00 0.00 59.98 59.38 2kkt h ARG 238 Cb 1.73 0.18 -0.03 0.00 0.08 0.00 0.00 29.97 31.94 2kkt h ARG 238 CO 0.13 1.24 0.22 0.28 -1.07 0.00 0.00 179.97 180.77 2kkt h VAL 239 N 0.17 1.19 0.10 2.04 2.07 -1.26 0.43 116.25 120.99 2kkt h VAL 239 Ca -0.11 -0.58 -0.00 0.00 0.82 0.00 0.00 66.70 66.82 2kkt h VAL 239 Cb 1.55 0.56 0.00 0.00 -1.52 0.00 0.00 31.29 31.87 2kkt h VAL 239 CO 0.17 0.23 -0.05 0.22 0.02 0.00 0.00 177.57 178.16 2kkt h TYR 240 N 0.75 -0.13 0.09 1.57 5.03 -0.72 -2.72 116.97 120.84 2kkt h TYR 240 Ca 0.18 -0.00 -0.00 0.00 2.58 0.00 0.00 58.73 61.48 2kkt h TYR 240 Cb 0.14 0.04 0.00 0.00 1.55 0.00 0.00 36.73 38.46 2kkt h TYR 240 CO 0.01 0.38 -0.04 0.74 -1.32 0.00 0.00 178.16 177.93 2kkt h PHE 241 N -0.86 -0.11 0.00 -3.82 0.04 -0.68 -3.39 116.94 108.11 2kkt h PHE 241 Ca -0.01 -0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.75 2kkt h PHE 241 Cb 0.57 0.04 0.00 0.00 2.20 0.00 0.00 35.95 38.75 2kkt h PHE 241 CO 0.12 0.43 -1.23 1.47 -0.60 0.00 0.00 178.31 178.49 2kkt n LEU 242 N -4.85 0.50 0.00 1.54 -0.00 0.14 -5.06 117.00 109.27 2kkt n LEU 242 Ca -0.08 -0.30 0.00 0.00 -0.00 0.00 0.00 56.01 55.63 2kkt n LEU 242 Cb 0.29 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.71 2kkt n LEU 242 CO 0.28 0.12 0.00 0.61 -0.00 0.00 0.00 177.39 178.40 2kkt n GLY 243 N 1.44 4.34 0.24 1.47 0.00 -0.48 -4.73 105.19 107.47 2kkt n GLY 243 Ca 0.01 -1.26 0.11 0.00 0.00 0.00 0.00 46.02 44.88 2kkt n GLY 243 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2kkt h PRO 244 N 0.00 0.00 -0.80 1.61 0.13 -1.75 -2.56 132.00 128.63 2kkt h PRO 244 Ca 0.00 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.61 2kkt h PRO 244 Cb 0.00 0.00 -0.29 0.00 0.13 0.00 0.00 31.00 30.84 2kkt h PRO 244 CO 0.00 0.17 0.23 0.45 -0.23 0.00 0.00 178.00 178.63 2kkt n SER 245 N -3.57 5.28 -4.53 1.44 2.88 -1.26 -4.95 113.62 108.91 2kkt n SER 245 Ca -0.01 -3.76 -0.47 0.00 -1.33 0.00 0.00 58.87 53.31 2kkt n SER 245 Cb 0.32 -0.73 -0.05 0.00 -0.75 0.00 0.00 64.21 62.99 2kkt n SER 245 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2kkt n ALA 246 N -0.95 1.46 -2.33 -1.46 0.00 -0.97 -1.00 120.51 115.26 2kkt n ALA 246 Ca 0.52 -0.16 -0.19 0.00 0.00 0.00 0.00 53.44 53.61 2kkt n ALA 246 Cb 0.98 -2.75 -0.01 0.00 0.00 0.00 0.00 19.45 17.67 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 7.46 -0.88 -4.16 0.00 0.31 -1.26 -5.00 118.33 114.81 2kkt n VAL 247 Ca 0.35 0.00 -0.23 0.00 -0.01 0.00 0.00 64.34 64.45 2kkt n VAL 247 Cb 0.35 -2.75 -0.06 0.00 -0.91 0.00 0.00 33.84 30.47 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 -5.48 3.30 0.00 7.52 1.43 -0.17 -5.27 118.68 120.00 2kkt s LEU 248 Ca 0.00 -0.67 0.30 0.00 -1.03 0.00 0.00 54.13 52.72 2kkt s LEU 248 Cb 0.00 -1.80 1.42 0.00 0.03 0.00 0.00 46.19 45.84 2kkt s LEU 248 CO 0.00 -0.18 1.95 -2.65 0.23 0.00 0.00 176.35 175.71