#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 -0.16 0.00 0.54 5.08 -2.02 -0.54 114.58 117.48 2kkt h GLU 199 Ca 0.00 0.01 -0.10 0.00 -1.00 0.00 0.00 59.36 58.27 2kkt h GLU 199 Cb 0.00 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 2kkt h GLU 199 CO 0.00 0.30 -0.46 1.05 -1.00 0.00 0.00 179.01 178.90 2kkt h GLU 200 N -0.71 0.00 -0.24 2.33 9.09 -2.04 0.53 114.58 123.54 2kkt h GLU 200 Ca -0.02 0.00 -0.01 0.00 0.05 0.00 0.00 59.36 59.38 2kkt h GLU 200 Cb 0.53 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.62 2kkt h GLU 200 CO 0.03 0.46 0.11 1.25 0.05 0.00 0.00 179.01 180.91 2kkt h LEU 201 N 0.00 0.32 -0.89 3.06 6.46 -1.97 0.51 115.31 122.80 2kkt h LEU 201 Ca -0.00 -0.13 0.01 0.00 -0.12 0.00 0.00 57.88 57.64 2kkt h LEU 201 Cb 0.89 -0.08 -0.05 0.00 -0.73 0.00 0.00 40.66 40.69 2kkt h LEU 201 CO 0.06 0.36 0.59 -0.09 -0.62 0.00 0.00 178.44 178.74 2kkt h ARG 202 N 0.26 1.16 -0.07 1.25 2.43 -0.55 -0.99 114.38 117.87 2kkt h ARG 202 Ca 0.08 -0.07 -0.11 0.00 -0.81 0.00 0.00 59.98 59.08 2kkt h ARG 202 Cb 0.13 -0.26 -0.01 0.00 -0.42 0.00 0.00 29.97 29.40 2kkt h ARG 202 CO -0.01 0.77 -0.44 1.03 -1.51 0.00 0.00 179.97 179.81 2kkt h SER 203 N 1.19 0.16 0.78 -3.80 0.87 -0.61 -3.12 113.55 109.02 2kkt h SER 203 Ca 0.33 -0.07 -0.04 0.00 -1.23 0.00 0.00 61.79 60.78 2kkt h SER 203 Cb -0.12 -0.05 0.01 0.00 -0.44 0.00 0.00 62.40 61.80 2kkt h SER 203 CO -0.08 0.58 -0.37 0.25 -0.53 0.00 0.00 176.83 176.68 2kkt h LEU 204 N 0.13 -0.89 -0.68 2.23 6.46 0.10 -2.82 115.31 119.85 2kkt h LEU 204 Ca 0.01 0.02 0.00 0.00 -0.12 0.00 0.00 57.88 57.79 2kkt h LEU 204 Cb 0.83 0.23 0.00 0.00 -0.73 0.00 0.00 40.66 40.99 2kkt h LEU 204 CO 0.06 -0.61 0.10 0.18 -0.62 0.00 0.00 178.44 177.55 2kkt n LEU 205 N -5.53 0.26 0.17 2.25 7.99 -0.48 0.67 117.00 122.34 2kkt n LEU 205 Ca -0.14 0.57 0.04 0.00 -0.01 0.00 0.00 56.01 56.47 2kkt n LEU 205 Cb 0.42 -0.58 0.23 0.00 -0.11 0.00 0.00 43.42 43.38 2kkt n LEU 205 CO 0.38 -0.66 0.60 0.74 -1.51 0.00 0.00 177.39 176.95 2kkt h THR 206 N 0.00 0.90 0.00 -5.08 2.02 -1.50 -3.40 112.91 105.85 2kkt h THR 206 Ca 0.00 -1.79 0.00 0.00 0.77 0.00 0.00 66.41 65.39 2kkt h THR 206 Cb 0.20 2.11 0.00 0.00 -1.74 0.00 0.00 68.15 68.71 2kkt h THR 206 CO 0.00 0.42 0.00 1.07 0.37 0.00 0.00 175.52 177.38 2kkt n THR 207 N -3.43 0.00 -3.48 3.16 5.66 -0.08 -5.03 114.28 111.09 2kkt n THR 207 Ca 0.00 0.00 -0.38 0.00 -3.05 0.00 0.00 64.05 60.63 2kkt n THR 207 Cb 0.59 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 69.31 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 -0.45 4.01 0.05 1.09 -1.52 0.21 -2.00 119.66 121.05 2kkt s GLN 208 Ca 0.00 0.39 -0.11 0.00 -1.95 0.00 0.00 55.36 53.69 2kkt s GLN 208 Cb 0.00 -3.27 -0.03 0.00 -0.22 0.00 0.00 33.01 29.49 2kkt s GLN 208 CO 0.00 0.58 1.19 0.00 -0.25 0.00 0.00 175.29 176.80 2kkt n GLY 210 N -1.10 1.07 3.63 0.00 0.00 0.21 -4.78 105.19 104.22 2kkt n GLY 210 Ca 0.00 0.00 -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 -2.53 4.38 -0.22 1.61 0.11 -1.26 -3.39 120.40 119.11 2kkt s VAL 211 Ca 0.00 1.58 -0.29 0.00 -2.93 0.00 0.00 61.98 60.35 2kkt s VAL 211 Cb 0.00 -4.34 -0.04 0.00 -1.53 0.00 0.00 36.38 30.47 2kkt s VAL 211 CO 0.00 -0.50 1.89 -0.63 -3.33 0.00 0.00 175.10 172.54 2kkt s ILE 212 N 3.88 3.35 0.00 7.04 1.01 -1.25 -0.82 121.20 134.41 2kkt s ILE 212 Ca 0.49 0.37 0.00 0.00 0.00 0.00 0.00 60.65 61.51 2kkt s ILE 212 Cb -0.13 -3.40 0.00 0.00 0.01 0.00 0.00 42.46 38.93 2kkt s ILE 212 CO 0.18 -0.21 0.59 -0.24 0.00 0.00 0.00 174.94 175.26 2kkt n SER 213 N 9.89 0.00 -2.82 3.58 2.88 -1.02 -4.55 113.62 121.58 2kkt n SER 213 Ca 0.23 0.59 -0.09 0.00 -1.33 0.00 0.00 58.87 58.27 2kkt n SER 213 Cb 0.45 -0.09 0.02 0.00 -0.75 0.00 0.00 64.21 63.84 2kkt n SER 213 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 2kkt n GLU 214 N -1.29 0.70 0.00 -1.46 4.07 -1.26 -5.03 120.64 116.37 2kkt n GLU 214 Ca 0.00 -1.99 0.00 0.00 -0.06 0.00 0.00 57.16 55.11 2kkt n GLU 214 Cb 0.00 -1.45 0.00 0.00 -0.06 0.00 0.00 31.44 29.93 2kkt n GLU 214 CO 0.00 0.00 0.00 -2.39 -0.06 0.00 0.00 177.13 174.68 2kkt n HIS 215 N 1.93 0.00 0.72 4.31 1.44 -1.26 -4.32 115.22 118.04 2kkt n HIS 215 Ca 0.13 0.00 0.03 0.00 -2.01 0.00 0.00 57.72 55.87 2kkt n HIS 215 Cb 0.60 0.00 0.13 0.00 0.12 0.00 0.00 29.99 30.84 2kkt n HIS 215 CO 0.00 0.00 0.00 0.25 -2.81 0.00 0.00 176.34 173.78 2kkt n THR 216 N 0.00 0.68 -4.12 0.61 -2.24 -1.26 -4.77 114.28 103.18 2kkt n THR 216 Ca 0.00 -0.42 -0.10 0.00 -2.27 0.00 0.00 64.05 61.26 2kkt n THR 216 Cb 0.00 -0.17 -0.04 0.00 -2.10 0.00 0.00 70.33 68.02 2kkt n THR 216 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2kkt n LYS 217 N 0.22 0.23 -0.75 -0.78 4.76 -1.26 -5.11 118.16 115.46 2kkt n LYS 217 Ca 0.09 -1.71 0.00 0.00 -2.87 0.00 0.00 58.31 53.82 2kkt n LYS 217 Cb 0.42 1.42 0.00 0.00 -1.84 0.00 0.00 35.03 35.03 2kkt n LYS 217 CO 0.00 0.00 0.00 0.36 -1.37 0.00 0.00 177.40 176.39 2kkt n LYS 218 N -0.33 2.90 -1.99 1.97 2.85 -1.26 -4.69 118.16 117.61 2kkt n LYS 218 Ca 0.04 0.00 -0.40 0.00 -1.05 0.00 0.00 58.31 56.90 2kkt n LYS 218 Cb 0.31 0.00 -0.00 0.00 -0.65 0.00 0.00 35.03 34.69 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 -0.01 4.01 0.45 -1.58 -1.94 -1.26 -2.43 119.30 116.55 2kkt s MET 219 Ca 0.00 2.26 -0.21 0.00 -1.71 0.00 0.00 55.69 56.03 2kkt s MET 219 Cb 0.00 -2.82 -0.10 0.00 2.01 0.00 0.00 34.83 33.92 2kkt s MET 219 CO 0.00 -0.49 1.00 0.00 -0.01 0.00 0.00 175.02 175.52 2kkt n THR 221 N -0.74 0.00 -0.82 0.00 5.66 -1.26 0.66 114.28 117.78 2kkt n THR 221 Ca 0.08 -0.49 0.00 0.00 -3.05 0.00 0.00 64.05 60.59 2kkt n THR 221 Cb 0.53 1.00 0.00 0.00 -1.55 0.00 0.00 70.33 70.31 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 -0.65 -0.23 -0.98 1.09 1.74 -1.26 -4.70 116.66 111.68 2kkt n ARG 222 Ca 0.00 0.00 -0.29 0.00 -0.77 0.00 0.00 57.85 56.79 2kkt n ARG 222 Cb 0.01 0.00 0.18 0.00 -1.02 0.00 0.00 32.46 31.63 2kkt n ARG 222 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2kkt s SER 223 N -1.14 2.64 0.24 0.55 0.15 -1.26 0.10 113.70 114.98 2kkt s SER 223 Ca 0.00 1.52 -0.04 0.00 0.70 0.00 0.00 55.95 58.14 2kkt s SER 223 Cb 0.00 -2.19 0.44 0.00 -1.71 0.00 0.00 66.02 62.56 2kkt s SER 223 CO 0.00 -3.17 1.76 -0.07 1.20 0.00 0.00 173.24 172.96 2kkt h LEU 224 N -1.91 0.44 -0.45 3.45 3.38 -1.62 -1.69 115.31 116.91 2kkt h LEU 224 Ca -0.53 0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.53 2kkt h LEU 224 Cb 1.30 0.02 0.00 0.00 0.09 0.00 0.00 40.66 42.07 2kkt h LEU 224 CO 0.53 0.21 0.00 -2.11 0.09 0.00 0.00 178.44 177.15 2kkt n ARG 225 N -4.90 0.56 0.16 1.13 1.85 -1.26 -4.09 116.66 110.11 2kkt n ARG 225 Ca 0.14 0.00 -0.16 0.00 -1.00 0.00 0.00 57.85 56.83 2kkt n ARG 225 Cb 0.37 -1.13 -0.09 0.00 -1.05 0.00 0.00 32.46 30.57 2kkt n ARG 225 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2kkt n PRO 227 N -5.50 0.00 -0.42 0.00 -0.04 -1.26 -5.01 135.00 122.78 2kkt n PRO 227 Ca -0.09 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.43 2kkt n PRO 227 Cb 0.41 0.00 0.10 0.00 -0.04 0.00 0.00 33.50 33.97 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 0.87 -1.85 0.54 -0.06 -1.26 -5.04 117.38 110.58 2kkt n GLN 228 Ca 0.00 -2.23 -0.42 0.00 -2.00 0.00 0.00 57.00 52.35 2kkt n GLN 228 Cb 0.00 -1.11 -0.03 0.00 -4.06 0.00 0.00 30.24 25.04 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 -1.90 2.51 0.58 3.69 3.76 -1.26 -4.96 115.29 117.71 2kkt s HIS 229 Ca 0.25 0.28 0.03 0.00 -0.15 0.00 0.00 55.06 55.47 2kkt s HIS 229 Cb 0.23 -4.03 0.06 0.00 1.11 0.00 0.00 32.58 29.95 2kkt s HIS 229 CO -0.01 -4.11 0.81 0.95 -0.85 0.00 0.00 174.74 171.53 2kkt s THR 230 N 2.24 2.51 0.26 1.30 -4.23 -1.26 -4.94 115.64 111.52 2kkt s THR 230 Ca 0.75 -0.73 -0.02 0.00 -1.18 0.00 0.00 61.69 60.51 2kkt s THR 230 Cb -0.43 -2.78 0.25 0.00 1.34 0.00 0.00 72.50 70.88 2kkt s THR 230 CO 0.33 0.00 1.84 -0.78 -0.54 0.00 0.00 174.62 175.47 2kkt h ASP 231 N 0.00 0.87 -0.14 3.99 1.82 -1.99 -1.53 116.42 119.44 2kkt h ASP 231 Ca -0.39 0.03 -0.10 0.00 -0.39 0.00 0.00 57.03 56.18 2kkt h ASP 231 Cb 1.29 -0.14 -0.01 0.00 0.68 0.00 0.00 39.33 41.14 2kkt h ASP 231 CO 0.47 0.51 -0.25 -0.33 -1.61 0.00 0.00 179.24 178.03 2kkt h GLU 232 N 0.98 0.60 -0.51 0.28 5.08 -1.97 0.16 114.58 119.20 2kkt h GLU 232 Ca 0.44 -0.23 -0.13 0.00 -1.00 0.00 0.00 59.36 58.44 2kkt h GLU 232 Cb 0.33 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 2kkt h GLU 232 CO -0.22 0.79 -0.17 1.96 -1.00 0.00 0.00 179.01 180.36 2kkt h GLN 233 N 0.52 1.01 0.05 2.33 4.20 -1.73 0.13 115.11 121.62 2kkt h GLN 233 Ca 0.07 -0.41 -0.24 0.00 0.06 0.00 0.00 58.65 58.13 2kkt h GLN 233 Cb 0.70 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.42 2kkt h GLN 233 CO 0.05 1.09 -1.12 0.00 -0.67 0.00 0.00 178.83 178.19 2kkt h ARG 234 N 0.88 0.10 -0.35 1.46 2.47 -0.78 -2.97 114.38 115.18 2kkt h ARG 234 Ca 0.12 -0.17 -0.00 0.00 -1.26 0.00 0.00 59.98 58.67 2kkt h ARG 234 Cb 0.75 0.06 -0.02 0.00 -1.65 0.00 0.00 29.97 29.12 2kkt h ARG 234 CO 0.06 1.06 0.21 -0.09 0.56 0.00 0.00 179.97 181.77 2kkt h ARG 235 N 0.03 0.48 -0.77 0.04 2.43 -0.56 -0.40 114.38 115.63 2kkt h ARG 235 Ca -0.07 -0.05 0.16 0.00 -0.81 0.00 0.00 59.98 59.22 2kkt h ARG 235 Cb 1.85 -0.10 -0.11 0.00 -0.42 0.00 0.00 29.97 31.20 2kkt h ARG 235 CO 0.15 0.38 0.26 1.15 -1.51 0.00 0.00 179.97 180.41 2kkt h THR 236 N 0.45 0.56 -0.02 0.20 2.02 -0.71 0.22 112.91 115.64 2kkt h THR 236 Ca 0.13 -0.12 -0.13 0.00 0.77 0.00 0.00 66.41 67.05 2kkt h THR 236 Cb 0.03 0.17 0.01 0.00 -1.74 0.00 0.00 68.15 66.61 2kkt h THR 236 CO -0.02 0.07 -0.49 0.58 0.37 0.00 0.00 175.52 176.03 2kkt h VAL 237 N 0.36 1.45 -0.42 3.16 2.07 -1.19 -2.29 116.25 119.39 2kkt h VAL 237 Ca 0.44 -2.00 -0.04 0.00 0.82 0.00 0.00 66.70 65.93 2kkt h VAL 237 Cb 0.74 2.58 -0.02 0.00 -1.52 0.00 0.00 31.29 33.07 2kkt h VAL 237 CO -0.47 0.57 0.12 0.03 0.02 0.00 0.00 177.57 177.84 2kkt h ARG 238 N -0.18 0.67 0.00 1.57 3.08 -0.75 0.12 114.38 118.89 2kkt h ARG 238 Ca -0.06 -0.15 -0.09 0.00 0.07 0.00 0.00 59.98 59.75 2kkt h ARG 238 Cb 1.20 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 31.14 2kkt h ARG 238 CO 0.10 0.67 -0.42 -0.24 -1.07 0.00 0.00 179.97 179.00 2kkt h VAL 239 N 0.55 1.30 0.05 2.04 3.04 -0.63 0.39 116.25 122.99 2kkt h VAL 239 Ca 0.14 -1.44 -0.00 0.00 -1.01 0.00 0.00 66.70 64.38 2kkt h VAL 239 Cb 0.29 1.78 0.00 0.00 -2.01 0.00 0.00 31.29 31.35 2kkt h VAL 239 CO -0.00 0.41 -0.02 0.22 -1.01 0.00 0.00 177.57 177.17 2kkt h TYR 240 N 0.00 -0.06 0.02 3.17 3.20 -1.08 -3.04 116.97 119.18 2kkt h TYR 240 Ca -0.00 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.86 2kkt h TYR 240 Cb 0.74 0.02 0.00 0.00 1.54 0.00 0.00 36.73 39.04 2kkt h TYR 240 CO 0.00 0.54 -0.01 0.74 -1.64 0.00 0.00 178.16 177.79 2kkt h PHE 241 N -0.76 -0.03 -0.02 -3.82 0.04 -0.54 -3.39 116.94 108.41 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 0.63 0.01 0.00 0.00 2.20 0.00 0.00 35.95 38.79 2kkt h PHE 241 CO 0.14 0.57 -0.20 1.47 -0.60 0.00 0.00 178.31 179.69 2kkt n LEU 242 N -4.71 2.55 0.00 1.54 -0.00 0.14 -5.05 117.00 111.46 2kkt n LEU 242 Ca -0.07 -0.88 0.00 0.00 -0.00 0.00 0.00 56.01 55.06 2kkt n LEU 242 Cb 0.30 -0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.71 2kkt n LEU 242 CO 0.22 0.44 0.00 0.61 -0.00 0.00 0.00 177.39 178.66 2kkt n GLY 243 N 1.38 2.81 0.32 1.47 0.00 -1.10 -4.75 105.19 105.31 2kkt n GLY 243 Ca 0.12 -2.09 0.20 0.00 0.00 0.00 0.00 46.02 44.25 2kkt n GLY 243 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2kkt h PRO 244 N 0.00 0.00 -0.01 1.61 0.11 -1.88 -1.04 132.00 130.79 2kkt h PRO 244 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 2kkt h PRO 244 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 2kkt h PRO 244 CO 0.00 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 176.66 2kkt n SER 245 N -3.37 0.26 -1.75 -2.05 3.41 -1.26 -4.00 113.62 104.86 2kkt n SER 245 Ca -0.03 -1.18 -0.15 0.00 -0.26 0.00 0.00 58.87 57.25 2kkt n SER 245 Cb 0.08 -0.00 0.09 0.00 -0.26 0.00 0.00 64.21 64.11 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 -0.75 4.47 -2.32 7.33 0.00 -0.39 -4.63 120.51 124.21 2kkt n ALA 246 Ca 0.21 -1.69 -0.43 0.00 0.00 0.00 0.00 53.44 51.53 2kkt n ALA 246 Cb 0.14 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.30 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 -0.30 4.11 -2.90 0.00 0.31 -1.26 -4.23 118.33 114.07 2kkt n VAL 247 Ca 0.34 -4.13 -0.40 0.00 -0.01 0.00 0.00 64.34 60.14 2kkt n VAL 247 Cb 1.04 -2.43 -0.06 0.00 -0.91 0.00 0.00 33.84 31.48 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 0.97 4.57 0.00 7.52 2.01 -1.26 -5.16 118.68 127.33 2kkt s LEU 248 Ca 0.43 1.70 0.20 0.00 0.01 0.00 0.00 54.13 56.47 2kkt s LEU 248 Cb 0.08 -3.39 1.17 0.00 0.01 0.00 0.00 46.19 44.06 2kkt s LEU 248 CO -0.01 0.13 1.56 -2.65 1.01 0.00 0.00 176.35 176.39