#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 0.36 0.00 0.54 3.07 -2.02 0.51 114.58 117.04 2kkt h GLU 199 Ca 0.00 -0.16 -0.12 0.00 -0.50 0.00 0.00 59.36 58.59 2kkt h GLU 199 Cb 0.00 -0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 27.88 2kkt h GLU 199 CO 0.00 0.67 -0.56 1.05 -1.40 0.00 0.00 179.01 178.77 2kkt h GLU 200 N 0.03 0.00 -0.34 2.33 4.11 -2.05 -0.04 114.58 118.62 2kkt h GLU 200 Ca 0.04 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.46 2kkt h GLU 200 Cb 0.56 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.80 2kkt h GLU 200 CO 0.03 0.56 0.18 1.25 0.07 0.00 0.00 179.01 181.10 2kkt h LEU 201 N 0.00 0.43 -1.82 3.06 6.46 -1.97 0.32 115.31 121.79 2kkt h LEU 201 Ca -0.01 -0.09 -0.00 0.00 -0.12 0.00 0.00 57.88 57.66 2kkt h LEU 201 Cb 1.30 -0.11 -0.01 0.00 -0.73 0.00 0.00 40.66 41.11 2kkt h LEU 201 CO 0.07 0.40 0.07 -0.09 -0.62 0.00 0.00 178.44 178.27 2kkt h ARG 202 N 0.43 0.18 -0.21 1.25 2.43 -0.52 -0.37 114.38 117.57 2kkt h ARG 202 Ca 0.12 -0.01 -0.20 0.00 -0.81 0.00 0.00 59.98 59.08 2kkt h ARG 202 Cb 0.07 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.58 2kkt h ARG 202 CO -0.02 0.14 -0.65 0.77 -1.51 0.00 0.00 179.97 178.70 2kkt h SER 203 N 0.19 0.88 0.20 -3.80 0.02 -0.17 -3.32 113.55 107.54 2kkt h SER 203 Ca 0.05 -0.52 0.01 0.00 -0.84 0.00 0.00 61.79 60.49 2kkt h SER 203 Cb 0.02 -0.26 -0.04 0.00 0.14 0.00 0.00 62.40 62.26 2kkt h SER 203 CO -0.01 1.31 -0.38 0.25 -1.14 0.00 0.00 176.83 176.86 2kkt h LEU 204 N 0.56 -1.08 0.00 5.07 6.46 0.13 -2.57 115.31 123.88 2kkt h LEU 204 Ca -0.02 0.11 0.00 0.00 -0.12 0.00 0.00 57.88 57.86 2kkt h LEU 204 Cb 1.26 0.39 0.00 0.00 -0.73 0.00 0.00 40.66 41.58 2kkt h LEU 204 CO 0.14 -0.48 0.00 0.18 -0.62 0.00 0.00 178.44 177.66 2kkt n LEU 205 N -5.46 0.00 0.06 2.25 7.99 -0.74 0.19 117.00 121.29 2kkt n LEU 205 Ca -0.08 0.00 -0.06 0.00 -0.01 0.00 0.00 56.01 55.86 2kkt n LEU 205 Cb 0.36 0.00 -0.11 0.00 -0.11 0.00 0.00 43.42 43.57 2kkt n LEU 205 CO 0.23 0.00 0.09 0.74 -1.51 0.00 0.00 177.39 176.94 2kkt h THR 206 N 0.00 1.50 0.00 -5.08 2.02 -1.59 -3.42 112.91 106.34 2kkt h THR 206 Ca 0.00 -3.18 0.00 0.00 0.77 0.00 0.00 66.41 64.00 2kkt h THR 206 Cb 0.00 2.74 0.00 0.00 -1.74 0.00 0.00 68.15 69.15 2kkt h THR 206 CO 0.00 0.86 0.00 1.07 0.37 0.00 0.00 175.52 177.82 2kkt n THR 207 N -3.29 0.00 -3.35 3.16 5.66 -0.53 -5.00 114.28 110.93 2kkt n THR 207 Ca -0.02 0.00 -0.38 0.00 -3.05 0.00 0.00 64.05 60.60 2kkt n THR 207 Cb 0.93 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 69.65 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 -0.44 4.27 0.00 1.09 -1.52 0.13 -1.27 119.66 121.93 2kkt s GLN 208 Ca 0.00 0.45 0.00 0.00 -1.95 0.00 0.00 55.36 53.86 2kkt s GLN 208 Cb 0.00 -3.40 0.00 0.00 -0.22 0.00 0.00 33.01 29.39 2kkt s GLN 208 CO 0.00 0.26 0.79 0.00 -0.25 0.00 0.00 175.29 176.09 2kkt n GLY 210 N -0.99 0.45 3.66 0.00 0.00 0.16 -4.78 105.19 103.68 2kkt n GLY 210 Ca 0.00 -0.14 -0.43 0.00 0.00 0.00 0.00 46.02 45.45 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 -1.83 4.25 -0.34 1.61 0.11 -1.26 -3.93 120.40 119.01 2kkt s VAL 211 Ca 0.00 1.51 -0.29 0.00 -2.93 0.00 0.00 61.98 60.27 2kkt s VAL 211 Cb 0.00 -3.98 0.01 0.00 -1.53 0.00 0.00 36.38 30.88 2kkt s VAL 211 CO 0.00 -0.12 1.30 -0.63 -3.33 0.00 0.00 175.10 172.32 2kkt s ILE 212 N 3.41 4.11 0.30 7.04 1.01 -1.25 -1.05 121.20 134.76 2kkt s ILE 212 Ca 0.56 1.22 -0.29 0.00 0.00 0.00 0.00 60.65 62.14 2kkt s ILE 212 Cb -0.22 -4.21 -0.09 0.00 0.01 0.00 0.00 42.46 37.94 2kkt s ILE 212 CO 0.16 -0.58 1.12 -0.55 0.00 0.00 0.00 174.94 175.09 2kkt s SER 213 N 2.97 7.13 0.17 3.58 0.15 -0.99 -4.90 113.70 121.82 2kkt s SER 213 Ca 0.56 2.29 0.15 0.00 0.70 0.00 0.00 55.95 59.65 2kkt s SER 213 Cb -0.15 -2.62 0.73 0.00 -1.71 0.00 0.00 66.02 62.26 2kkt s SER 213 CO 0.25 -0.24 1.46 1.21 1.20 0.00 0.00 173.24 177.12 2kkt n GLU 214 N 0.96 0.09 -0.01 5.44 2.13 -1.26 -1.56 120.64 126.43 2kkt n GLU 214 Ca -0.00 0.50 0.00 0.00 0.66 0.00 0.00 57.16 58.32 2kkt n GLU 214 Cb 0.45 -1.75 0.01 0.00 0.27 0.00 0.00 31.44 30.42 2kkt n GLU 214 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 2kkt n HIS 215 N -1.93 0.04 -2.74 4.31 8.25 -1.26 -4.80 115.22 117.08 2kkt n HIS 215 Ca 0.00 -0.01 -0.19 0.00 -0.26 0.00 0.00 57.72 57.26 2kkt n HIS 215 Cb 0.08 -0.04 0.02 0.00 1.12 0.00 0.00 29.99 31.17 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 -0.26 -1.50 0.55 1.59 -1.04 -0.60 -4.86 114.28 108.15 2kkt n THR 216 Ca 0.01 0.00 0.13 0.00 -2.04 0.00 0.00 64.05 62.14 2kkt n THR 216 Cb 0.12 -3.05 0.35 0.00 -1.82 0.00 0.00 70.33 65.93 2kkt n THR 216 CO 0.00 0.00 0.00 0.50 -0.64 0.00 0.00 175.07 174.93 2kkt h LYS 217 N -0.84 0.00 0.00 -2.82 1.63 -1.83 -3.50 116.57 109.21 2kkt h LYS 217 Ca -0.46 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.34 2kkt h LYS 217 Cb 1.33 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.96 2kkt h LYS 217 CO 0.51 0.00 0.00 1.63 -3.45 0.00 0.00 179.45 178.14 2kkt n LYS 218 N -2.41 0.00 -1.75 1.90 5.02 -1.26 -4.86 118.16 114.81 2kkt n LYS 218 Ca 0.05 0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 55.93 2kkt n LYS 218 Cb 0.45 0.00 -0.00 0.00 -0.02 0.00 0.00 35.03 35.46 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 -0.25 2.46 -2.67 1.97 2.81 -1.26 -2.34 117.12 117.84 2kkt n MET 219 Ca 0.00 0.86 -0.40 0.00 -1.81 0.00 0.00 57.70 56.35 2kkt n MET 219 Cb 0.00 -2.55 -0.05 0.00 -0.71 0.00 0.00 33.22 29.91 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 1.61 0.00 -1.65 0.00 -2.24 -1.26 0.36 114.28 111.10 2kkt n THR 221 Ca -0.01 -0.31 -0.04 0.00 -2.27 0.00 0.00 64.05 61.42 2kkt n THR 221 Cb 0.47 1.29 0.02 0.00 -2.10 0.00 0.00 70.33 70.01 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 0.29 0.13 -1.28 -0.78 5.12 -1.26 -4.82 116.66 114.05 2kkt n ARG 222 Ca 0.10 -0.34 -0.29 0.00 -1.93 0.00 0.00 57.85 55.39 2kkt n ARG 222 Cb 0.50 -0.15 0.20 0.00 -1.16 0.00 0.00 32.46 31.84 2kkt n ARG 222 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 2kkt s SER 223 N -1.65 2.12 0.13 0.55 0.15 -1.26 0.47 113.70 114.21 2kkt s SER 223 Ca 0.10 0.81 -0.26 0.00 0.70 0.00 0.00 55.95 57.30 2kkt s SER 223 Cb -0.00 -1.22 -0.04 0.00 -1.71 0.00 0.00 66.02 63.05 2kkt s SER 223 CO 0.07 -3.40 1.62 -0.07 1.20 0.00 0.00 173.24 172.66 2kkt h LEU 224 N -2.09 -0.89 -0.82 3.45 3.38 -1.41 -2.26 115.31 114.68 2kkt h LEU 224 Ca -0.49 0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.60 2kkt h LEU 224 Cb 1.31 0.37 0.00 0.00 0.09 0.00 0.00 40.66 42.42 2kkt h LEU 224 CO 0.47 -0.35 0.00 -2.11 0.09 0.00 0.00 178.44 176.54 2kkt n ARG 225 N -5.40 0.88 -0.26 1.13 -4.01 -1.26 -4.50 116.66 103.25 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 0.31 -1.36 -0.06 0.00 -3.04 0.00 0.00 32.46 28.31 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 -4.40 0.00 -0.04 0.00 -0.04 -1.26 -4.98 135.00 124.28 2kkt n PRO 227 Ca 0.01 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.50 2kkt n PRO 227 Cb 0.16 0.00 0.04 0.00 -0.04 0.00 0.00 33.50 33.66 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 2.10 -1.75 0.54 -0.06 -1.26 -4.97 117.38 111.97 2kkt n GLN 228 Ca 0.00 -1.69 -0.43 0.00 -2.00 0.00 0.00 57.00 52.88 2kkt n GLN 228 Cb 0.00 -1.07 -0.03 0.00 -4.06 0.00 0.00 30.24 25.08 2kkt n GLN 228 CO 0.00 0.00 0.00 -1.01 -0.20 0.00 0.00 177.06 175.85 2kkt s HIS 229 N -1.39 1.40 1.00 3.69 3.76 -1.26 -4.93 115.29 117.56 2kkt s HIS 229 Ca 0.09 0.56 -0.16 0.00 -0.15 0.00 0.00 55.06 55.40 2kkt s HIS 229 Cb 0.08 -4.00 0.20 0.00 1.11 0.00 0.00 32.58 29.97 2kkt s HIS 229 CO 0.01 -3.70 1.22 0.95 -0.85 0.00 0.00 174.74 172.37 2kkt s THR 230 N 7.72 1.90 0.32 1.30 -4.23 -1.26 -4.71 115.64 116.68 2kkt s THR 230 Ca 0.93 0.00 0.21 0.00 -1.18 0.00 0.00 61.69 61.65 2kkt s THR 230 Cb -0.29 -2.83 0.20 0.00 1.34 0.00 0.00 72.50 70.93 2kkt s THR 230 CO 0.35 0.00 1.91 -2.24 -0.54 0.00 0.00 174.62 174.10 2kkt h ASP 231 N -1.81 0.00 0.16 3.99 2.03 -1.96 -1.52 116.42 117.32 2kkt h ASP 231 Ca -0.46 0.00 -0.22 0.00 -0.73 0.00 0.00 57.03 55.63 2kkt h ASP 231 Cb 1.27 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.78 2kkt h ASP 231 CO 0.44 0.24 -0.85 -0.33 -1.03 0.00 0.00 179.24 177.71 2kkt h GLU 232 N 0.00 0.53 -0.19 4.15 5.08 -1.98 0.11 114.58 122.29 2kkt h GLU 232 Ca -0.00 -0.49 -0.04 0.00 -1.00 0.00 0.00 59.36 57.83 2kkt h GLU 232 Cb 0.57 0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.93 2kkt h GLU 232 CO 0.03 1.12 -0.06 1.96 -1.00 0.00 0.00 179.01 181.07 2kkt h GLN 233 N 0.34 0.28 -0.01 2.33 4.20 -1.74 0.31 115.11 120.81 2kkt h GLN 233 Ca -0.06 -0.05 -0.20 0.00 0.06 0.00 0.00 58.65 58.39 2kkt h GLN 233 Cb 1.46 -0.04 0.02 0.00 0.30 0.00 0.00 27.48 29.22 2kkt h GLN 233 CO 0.16 0.36 -0.79 0.00 -0.67 0.00 0.00 178.83 177.88 2kkt h ARG 234 N 0.27 0.56 0.32 1.46 2.47 -0.84 -3.30 114.38 115.32 2kkt h ARG 234 Ca 0.06 -0.58 -0.01 0.00 -1.26 0.00 0.00 59.98 58.19 2kkt h ARG 234 Cb 0.29 0.16 -0.00 0.00 -1.65 0.00 0.00 29.97 28.76 2kkt h ARG 234 CO 0.01 1.20 -0.19 -0.09 0.56 0.00 0.00 179.97 181.47 2kkt h ARG 235 N 0.15 -0.47 -0.62 0.04 2.43 0.08 -2.37 114.38 113.62 2kkt h ARG 235 Ca -0.09 0.03 0.10 0.00 -0.81 0.00 0.00 59.98 59.21 2kkt h ARG 235 Cb 1.47 0.11 -0.04 0.00 -0.42 0.00 0.00 29.97 31.09 2kkt h ARG 235 CO 0.16 -0.31 0.41 0.00 -1.51 0.00 0.00 179.97 178.72 2kkt h THR 236 N -0.49 0.90 0.22 0.20 1.03 -0.55 0.12 112.91 114.34 2kkt h THR 236 Ca -0.03 -0.15 -0.31 0.00 -0.01 0.00 0.00 66.41 65.91 2kkt h THR 236 Cb 0.40 0.42 0.03 0.00 -1.07 0.00 0.00 68.15 67.93 2kkt h THR 236 CO 0.04 0.08 -1.39 0.58 -0.01 0.00 0.00 175.52 174.82 2kkt h VAL 237 N 0.43 1.27 -0.32 0.00 2.07 -1.58 -2.03 116.25 116.09 2kkt h VAL 237 Ca 0.29 -2.63 -0.17 0.00 0.82 0.00 0.00 66.70 65.01 2kkt h VAL 237 Cb 0.54 3.03 -0.00 0.00 -1.52 0.00 0.00 31.29 33.34 2kkt h VAL 237 CO -0.08 0.79 -0.46 0.03 0.02 0.00 0.00 177.57 177.88 2kkt h ARG 238 N 0.02 0.85 0.00 1.57 3.08 -0.85 0.24 114.38 119.28 2kkt h ARG 238 Ca -0.25 -0.48 -0.11 0.00 0.07 0.00 0.00 59.98 59.21 2kkt h ARG 238 Cb 2.04 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 32.11 2kkt h ARG 238 CO 0.23 1.12 -0.52 -0.24 -1.07 0.00 0.00 179.97 179.49 2kkt h VAL 239 N 0.68 1.27 0.12 2.04 3.04 -0.87 0.22 116.25 122.73 2kkt h VAL 239 Ca 0.04 -1.85 -0.01 0.00 -1.01 0.00 0.00 66.70 63.87 2kkt h VAL 239 Cb 1.04 2.03 0.00 0.00 -2.01 0.00 0.00 31.29 32.35 2kkt h VAL 239 CO 0.10 0.51 -0.06 0.22 -1.01 0.00 0.00 177.57 177.34 2kkt h TYR 240 N 0.00 -0.15 0.03 3.17 3.20 -0.99 -3.01 116.97 119.22 2kkt h TYR 240 Ca -0.01 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.86 2kkt h TYR 240 Cb 0.99 0.05 0.00 0.00 1.54 0.00 0.00 36.73 39.31 2kkt h TYR 240 CO 0.00 0.33 -0.02 0.74 -1.64 0.00 0.00 178.16 177.57 2kkt h PHE 241 N -0.74 -0.04 -0.62 -3.82 0.04 -0.40 -3.37 116.94 107.99 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 0.54 0.01 0.00 0.00 2.20 0.00 0.00 35.95 38.71 2kkt h PHE 241 CO 0.09 0.63 0.00 1.47 -0.60 0.00 0.00 178.31 179.90 2kkt n LEU 242 N -4.73 3.71 0.00 1.54 -0.00 0.75 -5.05 117.00 113.21 2kkt n LEU 242 Ca -0.08 -1.92 0.00 0.00 -0.00 0.00 0.00 56.01 54.01 2kkt n LEU 242 Cb 0.34 -0.41 0.00 0.00 -0.00 0.00 0.00 43.42 43.34 2kkt n LEU 242 CO 0.27 0.91 0.00 0.61 -0.00 0.00 0.00 177.39 179.18 2kkt n GLY 243 N 1.43 2.62 0.07 1.47 0.00 -1.14 -4.54 105.19 105.11 2kkt n GLY 243 Ca 0.22 -1.97 0.07 0.00 0.00 0.00 0.00 46.02 44.34 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 0.45 0.08 -0.58 1.61 -0.04 -1.21 -1.10 135.00 134.21 2kkt n PRO 244 Ca 0.00 0.45 0.08 0.00 -0.04 0.00 0.00 63.50 63.99 2kkt n PRO 244 Cb 0.00 -1.70 0.32 0.00 -0.04 0.00 0.00 33.50 32.08 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 -1.86 4.56 0.00 3.54 7.64 -1.26 -4.27 113.62 121.97 2kkt n SER 245 Ca 0.01 -2.63 0.15 0.00 1.01 0.00 0.00 58.87 57.41 2kkt n SER 245 Cb 0.11 -0.55 0.81 0.00 -1.01 0.00 0.00 64.21 63.56 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 0.56 2.53 -3.62 -0.43 0.00 -0.26 -4.27 120.51 115.02 2kkt n ALA 246 Ca 0.24 -0.16 -0.22 0.00 0.00 0.00 0.00 53.44 53.29 2kkt n ALA 246 Cb 0.90 -1.49 -0.17 0.00 0.00 0.00 0.00 19.45 18.70 2kkt n ALA 246 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2kkt s VAL 247 N -2.38 -0.15 0.38 0.00 0.11 -1.26 -4.81 120.40 112.29 2kkt s VAL 247 Ca 0.34 0.07 -0.05 0.00 -2.93 0.00 0.00 61.98 59.41 2kkt s VAL 247 Cb 0.20 -0.44 -0.05 0.00 -1.53 0.00 0.00 36.38 34.57 2kkt s VAL 247 CO 0.42 -0.09 0.66 -0.76 -3.33 0.00 0.00 175.10 172.00 2kkt s LEU 248 N 2.19 3.89 0.00 2.54 1.43 -1.26 -5.01 118.68 122.46 2kkt s LEU 248 Ca 0.04 0.80 0.02 0.00 -1.03 0.00 0.00 54.13 53.95 2kkt s LEU 248 Cb -0.14 -3.68 0.10 0.00 0.03 0.00 0.00 46.19 42.50 2kkt s LEU 248 CO -0.07 -0.36 0.59 -2.65 0.23 0.00 0.00 176.35 174.08