#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 0.10 0.00 0.54 5.08 -2.01 0.29 114.58 118.58 2kkt h GLU 199 Ca 0.00 -0.07 -0.06 0.00 -1.00 0.00 0.00 59.36 58.23 2kkt h GLU 199 Cb 0.00 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 2kkt h GLU 199 CO 0.00 0.70 -0.28 1.05 -1.00 0.00 0.00 179.01 179.48 2kkt h GLU 200 N -0.48 0.00 -0.25 2.33 9.09 -2.05 -0.23 114.58 123.01 2kkt h GLU 200 Ca -0.00 0.00 -0.03 0.00 0.05 0.00 0.00 59.36 59.38 2kkt h GLU 200 Cb 0.70 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.79 2kkt h GLU 200 CO 0.02 0.28 0.03 1.25 0.05 0.00 0.00 179.01 180.64 2kkt h LEU 201 N 0.00 0.40 -1.62 3.06 6.46 -1.97 0.11 115.31 121.75 2kkt h LEU 201 Ca -0.00 -0.27 -0.03 0.00 -0.12 0.00 0.00 57.88 57.45 2kkt h LEU 201 Cb 0.83 -0.11 -0.01 0.00 -0.73 0.00 0.00 40.66 40.65 2kkt h LEU 201 CO 0.04 0.57 -0.13 -0.09 -0.62 0.00 0.00 178.44 178.21 2kkt h ARG 202 N 0.21 0.08 0.00 1.25 2.43 -0.39 0.02 114.38 117.98 2kkt h ARG 202 Ca 0.07 -0.01 -0.10 0.00 -0.81 0.00 0.00 59.98 59.13 2kkt h ARG 202 Cb 0.35 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.87 2kkt h ARG 202 CO 0.01 0.21 -0.48 0.77 -1.51 0.00 0.00 179.97 178.97 2kkt h SER 203 N 0.08 0.00 0.41 -3.80 0.02 -0.70 -3.30 113.55 106.26 2kkt h SER 203 Ca 0.02 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.95 2kkt h SER 203 Cb 0.28 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.82 2kkt h SER 203 CO 0.02 0.48 -0.20 0.25 -1.14 0.00 0.00 176.83 176.24 2kkt h LEU 204 N 0.00 -0.47 -1.09 5.07 6.46 0.12 -3.19 115.31 122.21 2kkt h LEU 204 Ca -0.00 -0.11 0.00 0.00 -0.12 0.00 0.00 57.88 57.64 2kkt h LEU 204 Cb 1.10 0.12 0.00 0.00 -0.73 0.00 0.00 40.66 41.15 2kkt h LEU 204 CO 0.06 -0.12 0.19 0.18 -0.62 0.00 0.00 178.44 178.13 2kkt n LEU 205 N -5.21 0.42 -0.27 2.25 7.99 -0.79 0.11 117.00 121.50 2kkt n LEU 205 Ca -0.10 0.63 -0.04 0.00 -0.01 0.00 0.00 56.01 56.49 2kkt n LEU 205 Cb 0.29 -0.62 0.11 0.00 -0.11 0.00 0.00 43.42 43.08 2kkt n LEU 205 CO 0.31 -0.78 1.08 0.74 -1.51 0.00 0.00 177.39 177.23 2kkt h THR 206 N 0.00 1.25 0.00 -5.08 2.02 -1.66 -3.40 112.91 106.04 2kkt h THR 206 Ca 0.00 -0.74 0.00 0.00 0.77 0.00 0.00 66.41 66.44 2kkt h THR 206 Cb 0.38 0.29 0.00 0.00 -1.74 0.00 0.00 68.15 67.08 2kkt h THR 206 CO 0.00 0.31 0.00 1.07 0.37 0.00 0.00 175.52 177.27 2kkt n THR 207 N -4.30 0.00 -3.40 3.16 5.66 -0.54 -5.00 114.28 109.85 2kkt n THR 207 Ca 0.07 0.00 -0.37 0.00 -3.05 0.00 0.00 64.05 60.70 2kkt n THR 207 Cb 0.16 0.08 -0.07 0.00 -1.55 0.00 0.00 70.33 68.95 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 4.29 0.02 1.09 -1.52 0.12 -2.07 119.66 121.59 2kkt s GLN 208 Ca 0.00 0.29 -0.05 0.00 -1.95 0.00 0.00 55.36 53.65 2kkt s GLN 208 Cb 0.00 -3.45 -0.01 0.00 -0.22 0.00 0.00 33.01 29.33 2kkt s GLN 208 CO 0.00 0.16 0.93 0.00 -0.25 0.00 0.00 175.29 176.12 2kkt n GLY 210 N -1.04 2.07 3.64 0.00 0.00 0.20 -4.64 105.19 105.42 2kkt n GLY 210 Ca 0.00 0.00 -0.43 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 -3.38 3.79 -0.01 1.61 0.11 -1.26 -3.27 120.40 117.99 2kkt s VAL 211 Ca 0.00 0.91 -0.30 0.00 -2.93 0.00 0.00 61.98 59.66 2kkt s VAL 211 Cb 0.00 -3.76 -0.06 0.00 -1.53 0.00 0.00 36.38 31.03 2kkt s VAL 211 CO 0.00 -0.27 1.58 -0.63 -3.33 0.00 0.00 175.10 172.45 2kkt s ILE 212 N 4.79 3.48 0.59 7.04 1.01 -1.26 -0.44 121.20 136.41 2kkt s ILE 212 Ca 0.68 0.76 0.38 0.00 0.00 0.00 0.00 60.65 62.47 2kkt s ILE 212 Cb -0.25 -3.49 0.40 0.00 0.01 0.00 0.00 42.46 39.14 2kkt s ILE 212 CO 0.27 -0.03 2.29 0.28 0.00 0.00 0.00 174.94 177.75 2kkt h SER 213 N 8.77 0.00 0.00 3.58 0.02 -1.40 -3.46 113.55 121.06 2kkt h SER 213 Ca -0.39 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.56 2kkt h SER 213 Cb 1.18 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.72 2kkt h SER 213 CO 0.94 0.01 0.00 1.21 -1.14 0.00 0.00 176.83 177.85 2kkt n GLU 214 N -3.40 0.00 -1.91 3.45 4.07 -1.26 -4.81 120.64 116.78 2kkt n GLU 214 Ca -0.03 0.00 -0.38 0.00 -0.06 0.00 0.00 57.16 56.69 2kkt n GLU 214 Cb 0.10 -1.76 0.04 0.00 -0.06 0.00 0.00 31.44 29.76 2kkt n GLU 214 CO 0.00 0.00 0.00 0.72 -0.06 0.00 0.00 177.13 177.79 2kkt n HIS 215 N -1.86 3.05 -1.22 4.31 8.25 -1.26 -4.82 115.22 121.67 2kkt n HIS 215 Ca 0.00 -2.47 -0.07 0.00 -0.26 0.00 0.00 57.72 54.91 2kkt n HIS 215 Cb 0.00 -1.10 -0.03 0.00 1.12 0.00 0.00 29.99 29.97 2kkt n HIS 215 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 2kkt n THR 216 N -0.58 0.00 -0.05 1.59 -1.04 -1.26 -4.83 114.28 108.11 2kkt n THR 216 Ca 0.53 0.00 -0.06 0.00 -2.04 0.00 0.00 64.05 62.48 2kkt n THR 216 Cb 0.33 -1.09 -0.15 0.00 -1.82 0.00 0.00 70.33 67.60 2kkt n THR 216 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 2kkt n LYS 217 N -1.68 0.66 0.00 -2.82 0.00 -1.26 -5.08 118.16 107.98 2kkt n LYS 217 Ca -0.07 0.08 0.00 0.00 0.00 0.00 0.00 58.31 58.31 2kkt n LYS 217 Cb 0.38 -1.63 0.00 0.00 0.00 0.00 0.00 35.03 33.79 2kkt n LYS 217 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 2kkt n LYS 218 N -2.79 0.00 -1.65 1.64 5.02 -1.26 -4.89 118.16 114.23 2kkt n LYS 218 Ca -0.23 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.64 2kkt n LYS 218 Cb 1.03 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 36.04 2kkt n LYS 218 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 2kkt n MET 219 N -0.01 1.70 -2.76 1.97 2.81 -1.26 -1.01 117.12 118.55 2kkt n MET 219 Ca 0.00 0.60 -0.38 0.00 -1.81 0.00 0.00 57.70 56.11 2kkt n MET 219 Cb 0.00 -2.17 -0.06 0.00 -0.71 0.00 0.00 33.22 30.27 2kkt n MET 219 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2kkt n THR 221 N 0.91 0.65 -1.40 0.00 -2.24 -1.26 0.59 114.28 111.53 2kkt n THR 221 Ca 0.00 -0.82 0.00 0.00 -2.27 0.00 0.00 64.05 60.96 2kkt n THR 221 Cb 0.49 0.75 0.00 0.00 -2.10 0.00 0.00 70.33 69.47 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 0.53 0.58 -1.47 -0.78 3.00 -1.26 -4.79 116.66 112.46 2kkt n ARG 222 Ca 0.10 0.00 -0.30 0.00 -0.01 0.00 0.00 57.85 57.64 2kkt n ARG 222 Cb 0.37 0.00 0.11 0.00 0.00 0.00 0.00 32.46 32.94 2kkt n ARG 222 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.63 176.09 2kkt s SER 223 N -1.00 4.11 0.14 0.55 1.04 -1.26 0.75 113.70 118.03 2kkt s SER 223 Ca 0.00 1.30 -0.27 0.00 0.48 0.00 0.00 55.95 57.46 2kkt s SER 223 Cb 0.00 -2.00 -0.02 0.00 0.10 0.00 0.00 66.02 64.10 2kkt s SER 223 CO 0.00 -2.21 1.59 -0.07 0.98 0.00 0.00 173.24 173.53 2kkt h LEU 224 N -1.25 -1.21 -2.97 2.42 3.38 -1.66 -1.88 115.31 112.14 2kkt h LEU 224 Ca -0.48 0.18 -0.24 0.00 0.09 0.00 0.00 57.88 57.42 2kkt h LEU 224 Cb 1.28 0.51 -0.14 0.00 0.09 0.00 0.00 40.66 42.41 2kkt h LEU 224 CO 0.59 -0.38 0.31 -1.14 0.09 0.00 0.00 178.44 177.90 2kkt n ARG 225 N -5.42 1.59 0.02 1.13 0.63 -1.26 -4.59 116.66 108.75 2kkt n ARG 225 Ca -0.03 -1.38 -0.14 0.00 -0.92 0.00 0.00 57.85 55.38 2kkt n ARG 225 Cb 0.35 -1.54 -0.09 0.00 0.45 0.00 0.00 32.46 31.63 2kkt n ARG 225 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2kkt n PRO 227 N -5.45 0.00 -0.11 0.00 -0.04 -1.26 -4.96 135.00 123.18 2kkt n PRO 227 Ca -0.06 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.43 2kkt n PRO 227 Cb 0.38 0.00 0.04 0.00 -0.04 0.00 0.00 33.50 33.88 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 1.37 -1.82 0.54 7.27 -1.26 -4.99 117.38 118.49 2kkt n GLN 228 Ca 0.00 -1.50 -0.39 0.00 0.07 0.00 0.00 57.00 55.18 2kkt n GLN 228 Cb 0.00 -0.95 -0.03 0.00 2.41 0.00 0.00 30.24 31.67 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 -1.14 1.43 0.93 3.69 3.76 -1.26 -4.94 115.29 117.77 2kkt s HIS 229 Ca 0.09 1.00 -0.15 0.00 -0.15 0.00 0.00 55.06 55.85 2kkt s HIS 229 Cb 0.08 -3.90 0.18 0.00 1.11 0.00 0.00 32.58 30.04 2kkt s HIS 229 CO 0.01 -2.68 1.29 0.95 -0.85 0.00 0.00 174.74 173.46 2kkt s THR 230 N 9.69 2.00 0.46 1.30 -4.23 -1.26 -4.44 115.64 119.16 2kkt s THR 230 Ca 0.83 0.00 0.13 0.00 -1.18 0.00 0.00 61.69 61.47 2kkt s THR 230 Cb -0.18 -3.00 0.23 0.00 1.34 0.00 0.00 72.50 70.89 2kkt s THR 230 CO 0.26 0.00 2.05 -2.24 -0.54 0.00 0.00 174.62 174.16 2kkt h ASP 231 N -1.52 0.12 0.32 3.99 2.03 -1.93 -1.37 116.42 118.06 2kkt h ASP 231 Ca -0.45 -0.01 -0.13 0.00 -0.73 0.00 0.00 57.03 55.71 2kkt h ASP 231 Cb 1.25 -0.03 -0.01 0.00 -0.83 0.00 0.00 39.33 39.71 2kkt h ASP 231 CO 0.44 0.17 -0.54 -0.33 -1.03 0.00 0.00 179.24 177.96 2kkt h GLU 232 N 0.13 0.24 -0.34 4.15 5.08 -1.97 0.60 114.58 122.48 2kkt h GLU 232 Ca 0.03 -0.15 -0.16 0.00 -1.00 0.00 0.00 59.36 58.08 2kkt h GLU 232 Cb 0.14 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 2kkt h GLU 232 CO 0.00 0.72 -0.43 1.96 -1.00 0.00 0.00 179.01 180.26 2kkt h GLN 233 N 0.19 0.86 0.00 2.33 4.20 -1.61 -0.41 115.11 120.66 2kkt h GLN 233 Ca 0.00 -0.47 -0.20 0.00 0.06 0.00 0.00 58.65 58.04 2kkt h GLN 233 Cb 1.00 0.03 -0.03 0.00 0.30 0.00 0.00 27.48 28.78 2kkt h GLN 233 CO 0.08 1.12 -1.01 0.00 -0.67 0.00 0.00 178.83 178.34 2kkt h ARG 234 N 0.69 0.00 0.42 1.46 3.08 -1.30 -3.34 114.38 115.40 2kkt h ARG 234 Ca 0.05 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.08 2kkt h ARG 234 Cb 1.02 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.07 2kkt h ARG 234 CO 0.10 0.77 -0.20 -0.09 -1.07 0.00 0.00 179.97 179.48 2kkt h ARG 235 N 0.00 -0.54 -0.33 0.04 9.65 -0.59 -2.32 114.38 120.29 2kkt h ARG 235 Ca -0.06 0.04 0.10 0.00 -1.10 0.00 0.00 59.98 58.96 2kkt h ARG 235 Cb 1.71 0.12 -0.01 0.00 -1.39 0.00 0.00 29.97 30.40 2kkt h ARG 235 CO 0.10 -0.34 0.26 0.00 2.80 0.00 0.00 179.97 182.80 2kkt h THR 236 N -0.61 0.71 0.08 0.20 1.03 -1.19 0.15 112.91 113.28 2kkt h THR 236 Ca -0.06 0.00 -0.25 0.00 -0.01 0.00 0.00 66.41 66.09 2kkt h THR 236 Cb 0.46 0.81 0.00 0.00 -1.07 0.00 0.00 68.15 68.35 2kkt h THR 236 CO 0.09 0.00 -1.13 0.58 -0.01 0.00 0.00 175.52 175.06 2kkt h VAL 237 N 0.00 1.48 -0.03 0.00 2.07 -1.57 0.10 116.25 118.29 2kkt h VAL 237 Ca 0.16 -2.86 -0.26 0.00 0.82 0.00 0.00 66.70 64.56 2kkt h VAL 237 Cb 0.68 2.76 0.02 0.00 -1.52 0.00 0.00 31.29 33.23 2kkt h VAL 237 CO -0.00 0.84 -0.98 0.03 0.02 0.00 0.00 177.57 177.48 2kkt h ARG 238 N 0.12 0.71 -0.42 1.57 3.08 -0.45 0.14 114.38 119.13 2kkt h ARG 238 Ca -0.11 -0.71 -0.07 0.00 0.07 0.00 0.00 59.98 59.16 2kkt h ARG 238 Cb 1.82 0.19 -0.02 0.00 0.08 0.00 0.00 29.97 32.05 2kkt h ARG 238 CO 0.19 1.30 -0.02 0.28 -1.07 0.00 0.00 179.97 180.65 2kkt h VAL 239 N 0.42 1.23 0.06 2.04 2.07 -0.82 0.47 116.25 121.72 2kkt h VAL 239 Ca -0.11 -0.96 -0.00 0.00 0.82 0.00 0.00 66.70 66.45 2kkt h VAL 239 Cb 1.63 0.93 0.00 0.00 -1.52 0.00 0.00 31.29 32.33 2kkt h VAL 239 CO 0.19 0.33 -0.03 0.22 0.02 0.00 0.00 177.57 178.31 2kkt h TYR 240 N 0.64 -0.07 0.01 1.57 3.20 -0.50 -2.96 116.97 118.87 2kkt h TYR 240 Ca 0.13 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 62.00 2kkt h TYR 240 Cb 0.43 0.02 0.00 0.00 1.54 0.00 0.00 36.73 38.73 2kkt h TYR 240 CO 0.02 0.51 -0.01 0.74 -1.64 0.00 0.00 178.16 177.78 2kkt h PHE 241 N -0.77 -0.02 -0.00 -3.82 0.04 -0.64 -3.40 116.94 108.33 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 0.62 0.01 0.00 0.00 2.20 0.00 0.00 35.95 38.78 2kkt h PHE 241 CO 0.14 0.74 -0.51 1.47 -0.60 0.00 0.00 178.31 179.55 2kkt n LEU 242 N -4.68 0.88 0.00 1.54 -0.00 0.15 -5.07 117.00 109.83 2kkt n LEU 242 Ca -0.08 -0.59 0.00 0.00 -0.00 0.00 0.00 56.01 55.34 2kkt n LEU 242 Cb 0.37 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.79 2kkt n LEU 242 CO 0.28 0.20 0.00 0.61 -0.00 0.00 0.00 177.39 178.47 2kkt n GLY 243 N 1.22 4.34 0.26 1.47 0.00 -0.29 -4.77 105.19 107.42 2kkt n GLY 243 Ca 0.03 -1.26 0.10 0.00 0.00 0.00 0.00 46.02 44.89 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 -0.55 1.61 0.13 -1.78 -1.66 132.00 129.75 2kkt h PRO 244 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2kkt h PRO 244 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2kkt h PRO 244 CO 0.00 0.07 0.00 0.43 -0.23 0.00 0.00 178.00 178.27 2kkt n SER 245 N -4.15 2.87 -4.45 1.44 7.64 -1.26 -4.67 113.62 111.04 2kkt n SER 245 Ca -0.03 -2.19 -0.43 0.00 1.01 0.00 0.00 58.87 57.23 2kkt n SER 245 Cb 0.15 -0.41 0.00 0.00 -1.01 0.00 0.00 64.21 62.95 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 0.65 3.87 -2.74 -0.43 0.00 -0.62 -4.50 120.51 116.73 2kkt n ALA 246 Ca 0.15 -3.92 -0.08 0.00 0.00 0.00 0.00 53.44 49.60 2kkt n ALA 246 Cb 0.53 -3.51 0.05 0.00 0.00 0.00 0.00 19.45 16.52 2kkt n ALA 246 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 2kkt n VAL 247 N 5.92 0.00 -2.51 0.00 3.14 -1.26 -4.76 118.33 118.86 2kkt n VAL 247 Ca 0.47 -1.42 -0.42 0.00 -2.96 0.00 0.00 64.34 60.01 2kkt n VAL 247 Cb 0.44 1.46 -0.03 0.00 -1.06 0.00 0.00 33.84 34.66 2kkt n VAL 247 CO 0.00 0.00 0.00 -0.76 -6.46 0.00 0.00 176.83 169.61 2kkt s LEU 248 N -0.72 4.29 0.00 6.55 2.01 -1.26 -5.25 118.68 124.29 2kkt s LEU 248 Ca 0.31 1.78 0.25 0.00 0.01 0.00 0.00 54.13 56.48 2kkt s LEU 248 Cb 0.23 -3.56 0.32 0.00 0.01 0.00 0.00 46.19 43.19 2kkt s LEU 248 CO -0.22 -0.52 1.33 -0.81 1.01 0.00 0.00 176.35 177.13