#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 0.09 0.00 0.54 4.11 -2.02 0.39 114.58 117.69 2kkt h GLU 199 Ca 0.00 -0.02 -0.08 0.00 0.07 0.00 0.00 59.36 59.33 2kkt h GLU 199 Cb 0.00 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 2kkt h GLU 199 CO 0.00 0.27 -0.36 1.05 0.07 0.00 0.00 179.01 180.03 2kkt h GLU 200 N -0.10 0.00 -0.49 1.06 4.11 -2.04 -2.44 114.58 114.68 2kkt h GLU 200 Ca 0.02 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.41 2kkt h GLU 200 Cb 0.21 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.44 2kkt h GLU 200 CO -0.00 0.36 0.13 1.25 0.07 0.00 0.00 179.01 180.82 2kkt h LEU 201 N 0.00 0.72 -1.59 3.06 6.46 -1.93 0.47 115.31 122.50 2kkt h LEU 201 Ca -0.00 -0.22 0.06 0.00 -0.12 0.00 0.00 57.88 57.59 2kkt h LEU 201 Cb 1.12 -0.19 -0.03 0.00 -0.73 0.00 0.00 40.66 40.83 2kkt h LEU 201 CO 0.05 0.76 0.36 -0.09 -0.62 0.00 0.00 178.44 178.89 2kkt h ARG 202 N 0.66 0.49 0.02 1.25 9.65 -0.70 -0.00 114.38 125.75 2kkt h ARG 202 Ca 0.15 -0.03 -0.21 0.00 -1.10 0.00 0.00 59.98 58.79 2kkt h ARG 202 Cb 0.30 -0.11 -0.02 0.00 -1.39 0.00 0.00 29.97 28.76 2kkt h ARG 202 CO -0.00 0.32 -0.97 0.77 2.80 0.00 0.00 179.97 182.89 2kkt h SER 203 N 0.50 0.16 0.68 -3.80 0.02 -0.81 -3.32 113.55 106.98 2kkt h SER 203 Ca 0.23 -0.15 -0.03 0.00 -0.84 0.00 0.00 61.79 61.00 2kkt h SER 203 Cb 0.28 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.77 2kkt h SER 203 CO -0.06 1.03 -0.35 0.25 -1.14 0.00 0.00 176.83 176.55 2kkt h LEU 204 N 0.05 -0.86 0.00 5.07 6.46 0.10 -2.83 115.31 123.30 2kkt h LEU 204 Ca -0.04 0.04 0.00 0.00 -0.12 0.00 0.00 57.88 57.75 2kkt h LEU 204 Cb 1.66 0.23 0.00 0.00 -0.73 0.00 0.00 40.66 41.82 2kkt h LEU 204 CO 0.14 -0.58 0.00 0.18 -0.62 0.00 0.00 178.44 177.56 2kkt n LEU 205 N -5.51 0.00 0.10 2.25 7.99 -0.12 0.63 117.00 122.34 2kkt n LEU 205 Ca -0.14 0.00 -0.18 0.00 -0.01 0.00 0.00 56.01 55.68 2kkt n LEU 205 Cb 0.39 0.00 -0.12 0.00 -0.11 0.00 0.00 43.42 43.59 2kkt n LEU 205 CO 0.37 0.00 -0.02 0.74 -1.51 0.00 0.00 177.39 176.97 2kkt h THR 206 N 0.00 1.40 0.00 -5.08 2.02 -1.60 -3.42 112.91 106.23 2kkt h THR 206 Ca 0.00 -2.74 0.00 0.00 0.77 0.00 0.00 66.41 64.44 2kkt h THR 206 Cb 0.00 2.78 0.00 0.00 -1.74 0.00 0.00 68.15 69.19 2kkt h THR 206 CO 0.00 0.81 -0.36 1.07 0.37 0.00 0.00 175.52 177.41 2kkt n THR 207 N -3.66 0.00 -3.44 3.16 5.66 -0.45 -5.02 114.28 110.52 2kkt n THR 207 Ca -0.10 0.00 -0.38 0.00 -3.05 0.00 0.00 64.05 60.52 2kkt n THR 207 Cb 0.98 -0.28 -0.06 0.00 -1.55 0.00 0.00 70.33 69.42 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 -1.26 4.07 0.00 1.09 -0.21 0.20 -2.76 119.66 120.79 2kkt s GLN 208 Ca 0.00 0.42 0.00 0.00 0.02 0.00 0.00 55.36 55.80 2kkt s GLN 208 Cb 0.00 -3.30 0.00 0.00 1.00 0.00 0.00 33.01 30.71 2kkt s GLN 208 CO 0.00 0.51 0.55 0.00 -2.12 0.00 0.00 175.29 174.23 2kkt n GLY 210 N -0.83 0.37 3.67 0.00 0.00 0.14 -4.82 105.19 103.72 2kkt n GLY 210 Ca 0.00 -0.01 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 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 -1.73 4.19 -0.27 1.61 0.11 -1.26 -3.74 120.40 119.31 2kkt s VAL 211 Ca 0.00 1.47 -0.29 0.00 -2.93 0.00 0.00 61.98 60.23 2kkt s VAL 211 Cb 0.00 -3.95 -0.01 0.00 -1.53 0.00 0.00 36.38 30.90 2kkt s VAL 211 CO 0.00 -0.09 1.37 -0.63 -3.33 0.00 0.00 175.10 172.42 2kkt s ILE 212 N 3.19 4.05 -0.56 7.04 1.01 -1.25 -0.88 121.20 133.80 2kkt s ILE 212 Ca 0.57 1.18 -0.25 0.00 0.00 0.00 0.00 60.65 62.15 2kkt s ILE 212 Cb -0.24 -4.05 0.04 0.00 0.01 0.00 0.00 42.46 38.22 2kkt s ILE 212 CO 0.18 -0.42 1.02 -0.44 0.00 0.00 0.00 174.94 175.28 2kkt s SER 213 N 3.07 6.38 0.82 3.58 0.01 -0.33 -4.81 113.70 122.42 2kkt s SER 213 Ca 0.60 -0.19 0.00 0.00 1.31 0.00 0.00 55.95 57.67 2kkt s SER 213 Cb -0.19 -2.47 0.00 0.00 0.21 0.00 0.00 66.02 63.57 2kkt s SER 213 CO 0.24 -1.31 0.00 -0.62 0.41 0.00 0.00 173.24 171.97 2kkt n GLU 214 N 7.77 0.00 0.02 12.44 1.02 -1.26 -2.16 120.64 138.47 2kkt n GLU 214 Ca 0.04 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.18 2kkt n GLU 214 Cb 0.48 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.90 2kkt n GLU 214 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 2kkt n HIS 215 N 0.00 -1.65 -0.08 -0.32 8.25 -1.26 -4.89 115.22 115.27 2kkt n HIS 215 Ca 0.00 0.12 0.02 0.00 -0.26 0.00 0.00 57.72 57.60 2kkt n HIS 215 Cb 0.00 0.72 0.34 0.00 1.12 0.00 0.00 29.99 32.17 2kkt n HIS 215 CO 0.00 0.00 0.00 1.15 0.64 0.00 0.00 176.34 178.13 2kkt h THR 216 N 0.00 1.15 0.00 1.59 2.02 -2.00 -2.82 112.91 112.84 2kkt h THR 216 Ca 0.00 -0.34 -0.19 0.00 0.77 0.00 0.00 66.41 66.65 2kkt h THR 216 Cb 0.00 0.42 -0.03 0.00 -1.74 0.00 0.00 68.15 66.80 2kkt h THR 216 CO 0.00 0.16 -1.14 0.50 0.37 0.00 0.00 175.52 175.41 2kkt h LYS 217 N 0.72 0.00 0.00 6.66 3.64 -1.79 -3.50 116.57 122.30 2kkt h LYS 217 Ca 0.19 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.57 2kkt h LYS 217 Cb -0.02 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.80 2kkt h LYS 217 CO -0.03 0.56 0.00 1.63 -2.27 0.00 0.00 179.45 179.33 2kkt n LYS 218 N -3.12 0.00 -2.04 1.90 4.76 -1.07 -4.80 118.16 113.79 2kkt n LYS 218 Ca -0.06 0.00 -0.41 0.00 -2.87 0.00 0.00 58.31 54.97 2kkt n LYS 218 Cb 0.88 0.00 -0.02 0.00 -1.84 0.00 0.00 35.03 34.05 2kkt n LYS 218 CO 0.00 0.00 0.00 -1.64 -1.37 0.00 0.00 177.40 174.39 2kkt s MET 219 N 0.00 4.29 0.64 1.97 -1.94 -1.26 -1.19 119.30 121.81 2kkt s MET 219 Ca 0.00 2.27 -0.12 0.00 -1.71 0.00 0.00 55.69 56.13 2kkt s MET 219 Cb 0.00 -3.10 -0.02 0.00 2.01 0.00 0.00 34.83 33.71 2kkt s MET 219 CO 0.00 -0.36 1.04 0.00 -0.01 0.00 0.00 175.02 175.69 2kkt n THR 221 N -2.67 1.22 -0.14 0.00 5.66 -1.26 0.29 114.28 117.38 2kkt n THR 221 Ca 0.07 -0.28 -0.19 0.00 -3.05 0.00 0.00 64.05 60.60 2kkt n THR 221 Cb 0.54 -1.82 0.18 0.00 -1.55 0.00 0.00 70.33 67.68 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 -4.00 -3.74 -0.67 1.09 1.74 -1.26 -4.00 116.66 105.83 2kkt n ARG 222 Ca -0.42 -0.89 -0.31 0.00 -0.77 0.00 0.00 57.85 55.45 2kkt n ARG 222 Cb 0.79 -1.18 0.18 0.00 -1.02 0.00 0.00 32.46 31.23 2kkt n ARG 222 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2kkt n SER 223 N -4.68 -1.78 -0.25 0.55 2.88 -1.26 0.49 113.62 109.57 2kkt n SER 223 Ca 0.08 0.08 -0.03 0.00 -1.33 0.00 0.00 58.87 57.67 2kkt n SER 223 Cb 0.37 -1.17 0.08 0.00 -0.75 0.00 0.00 64.21 62.74 2kkt n SER 223 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 2kkt h LEU 224 N -2.04 0.72 -3.08 2.46 3.38 -1.76 -1.14 115.31 113.85 2kkt h LEU 224 Ca -0.51 -0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.23 2kkt h LEU 224 Cb 1.32 -0.16 -0.14 0.00 0.09 0.00 0.00 40.66 41.78 2kkt h LEU 224 CO 0.40 0.50 0.29 -1.14 0.09 0.00 0.00 178.44 178.58 2kkt n ARG 225 N -4.66 2.35 -0.31 1.13 0.63 -1.26 -4.53 116.66 110.00 2kkt n ARG 225 Ca 0.07 -1.96 -0.00 0.00 -0.92 0.00 0.00 57.85 55.03 2kkt n ARG 225 Cb 0.08 -1.83 0.06 0.00 0.45 0.00 0.00 32.46 31.22 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 -5.49 0.00 -0.42 0.00 -0.05 -1.26 -4.98 135.00 122.80 2kkt n PRO 227 Ca 0.10 0.00 0.00 0.00 -0.05 0.00 0.00 63.50 63.55 2kkt n PRO 227 Cb 0.40 0.00 0.00 0.00 -0.05 0.00 0.00 33.50 33.85 2kkt n PRO 227 CO 0.00 0.00 0.00 0.94 -0.05 0.00 0.00 175.50 176.39 2kkt n GLN 228 N 0.00 0.00 -1.51 0.54 7.27 -1.26 -5.06 117.38 117.36 2kkt n GLN 228 Ca 0.00 -0.89 -0.46 0.00 0.07 0.00 0.00 57.00 55.72 2kkt n GLN 228 Cb 0.00 -0.48 -0.05 0.00 2.41 0.00 0.00 30.24 32.11 2kkt n GLN 228 CO 0.00 0.00 0.00 0.72 0.07 0.00 0.00 177.06 177.85 2kkt n HIS 229 N 0.00 1.69 -1.98 3.69 8.25 -1.26 -4.89 115.22 120.72 2kkt n HIS 229 Ca 0.00 0.11 -0.28 0.00 -0.26 0.00 0.00 57.72 57.29 2kkt n HIS 229 Cb 0.66 -2.61 0.09 0.00 1.12 0.00 0.00 29.99 29.25 2kkt n HIS 229 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 2kkt s THR 230 N 8.21 2.07 0.48 1.59 -4.23 -1.26 -4.57 115.64 117.93 2kkt s THR 230 Ca 1.06 -0.07 0.33 0.00 -1.18 0.00 0.00 61.69 61.83 2kkt s THR 230 Cb -0.61 -2.99 0.36 0.00 1.34 0.00 0.00 72.50 70.60 2kkt s THR 230 CO 0.42 0.00 2.18 -2.24 -0.54 0.00 0.00 174.62 174.44 2kkt h ASP 231 N -1.00 0.00 -0.15 3.99 2.03 -1.97 0.28 116.42 119.60 2kkt h ASP 231 Ca -0.45 0.00 -0.05 0.00 -0.73 0.00 0.00 57.03 55.80 2kkt h ASP 231 Cb 1.32 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 39.81 2kkt h ASP 231 CO 0.62 0.05 -0.09 -0.33 -1.03 0.00 0.00 179.24 178.46 2kkt h GLU 232 N 0.00 0.33 -0.15 4.15 5.08 -1.98 -0.65 114.58 121.37 2kkt h GLU 232 Ca -0.00 -0.15 -0.10 0.00 -1.00 0.00 0.00 59.36 58.10 2kkt h GLU 232 Cb 0.20 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 2kkt h GLU 232 CO 0.01 0.67 -0.36 1.96 -1.00 0.00 0.00 179.01 180.28 2kkt h GLN 233 N -0.01 0.31 0.00 2.33 4.20 -1.40 0.80 115.11 121.33 2kkt h GLN 233 Ca 0.03 -0.13 -0.10 0.00 0.06 0.00 0.00 58.65 58.50 2kkt h GLN 233 Cb 0.58 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.33 2kkt h GLN 233 CO 0.03 0.63 -0.50 0.00 -0.67 0.00 0.00 178.83 178.32 2kkt h ARG 234 N 0.26 0.00 0.04 1.46 2.47 -0.43 -3.18 114.38 115.01 2kkt h ARG 234 Ca 0.03 0.00 -0.11 0.00 -1.26 0.00 0.00 59.98 58.64 2kkt h ARG 234 Cb 0.77 0.00 0.01 0.00 -1.65 0.00 0.00 29.97 29.10 2kkt h ARG 234 CO 0.06 0.50 -0.45 -0.09 0.56 0.00 0.00 179.97 180.55 2kkt h ARG 235 N 0.00 0.22 -0.58 0.04 2.43 -0.49 -3.34 114.38 112.67 2kkt h ARG 235 Ca -0.00 -0.30 0.12 0.00 -0.81 0.00 0.00 59.98 58.98 2kkt h ARG 235 Cb 1.23 0.10 -0.11 0.00 -0.42 0.00 0.00 29.97 30.76 2kkt h ARG 235 CO 0.06 1.07 -0.14 1.15 -1.51 0.00 0.00 179.97 180.60 2kkt h THR 236 N -0.48 0.42 -0.03 0.20 2.02 -0.86 -0.59 112.91 113.59 2kkt h THR 236 Ca -0.07 -0.00 -0.16 0.00 0.77 0.00 0.00 66.41 66.95 2kkt h THR 236 Cb 1.26 0.42 -0.01 0.00 -1.74 0.00 0.00 68.15 68.08 2kkt h THR 236 CO 0.09 0.00 -0.69 0.58 0.37 0.00 0.00 175.52 175.87 2kkt h VAL 237 N 0.00 1.44 0.05 3.16 2.07 -1.69 0.15 116.25 121.44 2kkt h VAL 237 Ca 0.28 -2.22 -0.28 0.00 0.82 0.00 0.00 66.70 65.30 2kkt h VAL 237 Cb 0.43 2.18 0.02 0.00 -1.52 0.00 0.00 31.29 32.40 2kkt h VAL 237 CO -0.60 0.65 -1.13 0.03 0.02 0.00 0.00 177.57 176.54 2kkt h ARG 238 N 0.12 0.68 -0.03 1.57 3.08 -1.46 0.38 114.38 118.71 2kkt h ARG 238 Ca -0.02 -0.79 -0.00 0.00 0.07 0.00 0.00 59.98 59.24 2kkt h ARG 238 Cb 1.23 0.24 -0.00 0.00 0.08 0.00 0.00 29.97 31.51 2kkt h ARG 238 CO 0.10 1.35 0.00 0.28 -1.07 0.00 0.00 179.97 180.64 2kkt h VAL 239 N 0.35 1.22 -0.06 2.04 2.07 -1.07 0.35 116.25 121.14 2kkt h VAL 239 Ca -0.15 -0.66 -0.00 0.00 0.82 0.00 0.00 66.70 66.71 2kkt h VAL 239 Cb 1.79 1.60 -0.00 0.00 -1.52 0.00 0.00 31.29 33.15 2kkt h VAL 239 CO 0.22 0.18 0.04 0.22 0.02 0.00 0.00 177.57 178.24 2kkt h TYR 240 N -0.21 0.08 0.00 1.57 3.20 -0.65 -2.87 116.97 118.09 2kkt h TYR 240 Ca 0.01 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.87 2kkt h TYR 240 Cb 0.28 -0.03 -0.00 0.00 1.54 0.00 0.00 36.73 38.52 2kkt h TYR 240 CO 0.02 0.10 -0.03 0.74 -1.64 0.00 0.00 178.16 177.34 2kkt h PHE 241 N 0.04 0.00 0.00 -3.82 0.04 -0.91 -3.43 116.94 108.86 2kkt h PHE 241 Ca 0.02 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.79 2kkt h PHE 241 Cb 0.04 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.19 2kkt h PHE 241 CO -0.06 0.77 0.00 1.47 -0.60 0.00 0.00 178.31 179.89 2kkt n LEU 242 N -4.65 1.21 0.00 1.54 -0.00 0.11 -5.07 117.00 110.15 2kkt n LEU 242 Ca -0.08 -1.21 0.00 0.00 -0.00 0.00 0.00 56.01 54.72 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 0.26 0.30 0.00 0.61 -0.00 0.00 0.00 177.39 178.56 2kkt n GLY 243 N -0.14 4.60 0.31 1.47 0.00 -0.40 -4.86 105.19 106.16 2kkt n GLY 243 Ca 0.00 -1.06 -0.00 0.00 0.00 0.00 0.00 46.02 44.96 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 0.75 -0.81 1.61 0.13 -1.83 -2.44 132.00 129.42 2kkt h PRO 244 Ca 0.00 -0.10 0.00 0.00 -0.87 0.00 0.00 66.00 65.03 2kkt h PRO 244 Cb 0.00 -0.14 0.00 0.00 0.13 0.00 0.00 31.00 30.99 2kkt h PRO 244 CO 0.00 0.60 0.00 -1.13 -0.23 0.00 0.00 178.00 177.24 2kkt n SER 245 N -4.35 2.34 -0.26 1.44 3.41 -1.26 -3.58 113.62 111.35 2kkt n SER 245 Ca 0.04 -2.26 0.14 0.00 -0.26 0.00 0.00 58.87 56.53 2kkt n SER 245 Cb 0.15 -0.52 0.55 0.00 -0.26 0.00 0.00 64.21 64.13 2kkt n SER 245 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2kkt n ALA 246 N 0.19 2.78 -3.58 7.33 0.00 -0.92 -4.40 120.51 121.91 2kkt n ALA 246 Ca 0.08 -0.36 -0.29 0.00 0.00 0.00 0.00 53.44 52.87 2kkt n ALA 246 Cb 0.51 -1.24 -0.13 0.00 0.00 0.00 0.00 19.45 18.59 2kkt n ALA 246 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2kkt s VAL 247 N -2.27 0.52 0.04 0.00 1.01 -1.23 -4.97 120.40 113.50 2kkt s VAL 247 Ca 0.33 -1.68 -0.30 0.00 0.00 0.00 0.00 61.98 60.32 2kkt s VAL 247 Cb 0.20 -1.39 -0.05 0.00 0.00 0.00 0.00 36.38 35.15 2kkt s VAL 247 CO 0.43 -0.87 1.11 -0.76 0.00 0.00 0.00 175.10 175.01 2kkt s LEU 248 N 1.19 4.37 0.00 3.92 2.01 -1.26 -5.08 118.68 123.83 2kkt s LEU 248 Ca 0.15 1.88 0.16 0.00 0.01 0.00 0.00 54.13 56.33 2kkt s LEU 248 Cb -0.21 -3.58 0.95 0.00 0.01 0.00 0.00 46.19 43.36 2kkt s LEU 248 CO -0.10 -0.38 1.36 -2.65 1.01 0.00 0.00 176.35 175.58