#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 -0.83 0.00 0.54 4.81 -2.01 -0.30 114.58 116.79 2kkt h GLU 199 Ca 0.00 0.06 -0.19 0.00 -0.13 0.00 0.00 59.36 59.10 2kkt h GLU 199 Cb 0.00 0.19 -0.03 0.00 0.63 0.00 0.00 28.75 29.54 2kkt h GLU 199 CO 0.00 -0.54 -0.90 1.05 -0.73 0.00 0.00 179.01 177.89 2kkt h GLU 200 N -0.90 0.00 -0.41 1.92 9.09 -2.05 -2.66 114.58 119.57 2kkt h GLU 200 Ca -0.09 0.00 0.02 0.00 0.05 0.00 0.00 59.36 59.34 2kkt h GLU 200 Cb 0.67 0.00 -0.03 0.00 -1.65 0.00 0.00 28.75 27.74 2kkt h GLU 200 CO 0.14 0.90 0.23 1.25 0.05 0.00 0.00 179.01 181.58 2kkt h LEU 201 N 0.00 0.36 -1.33 3.06 6.46 -1.98 0.22 115.31 122.10 2kkt h LEU 201 Ca -0.01 0.01 -0.02 0.00 -0.12 0.00 0.00 57.88 57.74 2kkt h LEU 201 Cb 1.69 -0.06 -0.02 0.00 -0.73 0.00 0.00 40.66 41.54 2kkt h LEU 201 CO 0.12 0.26 0.18 -0.09 -0.62 0.00 0.00 178.44 178.29 2kkt h ARG 202 N 0.46 0.64 -0.47 1.25 2.43 -1.01 0.49 114.38 118.17 2kkt h ARG 202 Ca 0.17 -0.08 -0.12 0.00 -0.81 0.00 0.00 59.98 59.14 2kkt h ARG 202 Cb 0.04 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.45 2kkt h ARG 202 CO -0.09 0.53 -0.17 1.03 -1.51 0.00 0.00 179.97 179.75 2kkt h SER 203 N 0.64 0.93 0.39 -3.80 0.87 -0.92 -3.02 113.55 108.64 2kkt h SER 203 Ca 0.16 -0.33 -0.01 0.00 -1.23 0.00 0.00 61.79 60.38 2kkt h SER 203 Cb 0.12 -0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 61.81 2kkt h SER 203 CO -0.02 1.09 -0.37 0.25 -0.53 0.00 0.00 176.83 177.25 2kkt h LEU 204 N 0.81 -0.99 0.00 2.23 6.46 0.54 -2.67 115.31 121.69 2kkt h LEU 204 Ca 0.12 0.08 0.00 0.00 -0.12 0.00 0.00 57.88 57.96 2kkt h LEU 204 Cb 0.72 0.33 0.00 0.00 -0.73 0.00 0.00 40.66 40.98 2kkt h LEU 204 CO 0.06 -0.52 0.00 0.18 -0.62 0.00 0.00 178.44 177.54 2kkt n LEU 205 N -5.48 0.00 0.08 2.25 7.99 0.05 0.50 117.00 122.40 2kkt n LEU 205 Ca -0.10 0.16 -0.04 0.00 -0.01 0.00 0.00 56.01 56.02 2kkt n LEU 205 Cb 0.38 -0.16 -0.08 0.00 -0.11 0.00 0.00 43.42 43.44 2kkt n LEU 205 CO 0.29 -0.16 0.22 0.74 -1.51 0.00 0.00 177.39 176.97 2kkt h THR 206 N 0.00 1.47 0.00 -5.08 2.02 -1.35 -3.42 112.91 106.55 2kkt h THR 206 Ca 0.00 -3.08 0.00 0.00 0.77 0.00 0.00 66.41 64.10 2kkt h THR 206 Cb 0.01 2.72 0.00 0.00 -1.74 0.00 0.00 68.15 69.14 2kkt h THR 206 CO 0.00 0.84 0.00 1.07 0.37 0.00 0.00 175.52 177.80 2kkt n THR 207 N -3.31 0.00 -3.42 3.16 5.66 -0.47 -5.01 114.28 110.90 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 0.88 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 69.60 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 -0.49 4.14 0.00 1.09 -1.52 0.18 -1.37 119.66 121.69 2kkt s GLN 208 Ca 0.00 0.42 0.00 0.00 -1.95 0.00 0.00 55.36 53.83 2kkt s GLN 208 Cb 0.00 -3.33 0.00 0.00 -0.22 0.00 0.00 33.01 29.46 2kkt s GLN 208 CO 0.00 0.43 0.69 0.00 -0.25 0.00 0.00 175.29 176.16 2kkt n GLY 210 N -0.92 0.74 3.67 0.00 0.00 0.26 -4.82 105.19 104.13 2kkt n GLY 210 Ca 0.00 0.00 -0.42 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 -3.12 3.57 0.19 1.61 0.11 -1.26 -3.66 120.40 117.85 2kkt s VAL 211 Ca 0.00 0.81 -0.30 0.00 -2.93 0.00 0.00 61.98 59.56 2kkt s VAL 211 Cb 0.00 -3.52 -0.08 0.00 -1.53 0.00 0.00 36.38 31.25 2kkt s VAL 211 CO 0.00 -0.05 1.14 -0.63 -3.33 0.00 0.00 175.10 172.24 2kkt s ILE 212 N 3.46 3.68 -0.85 7.04 1.01 -1.25 -0.27 121.20 134.02 2kkt s ILE 212 Ca 0.70 1.46 -0.19 0.00 0.00 0.00 0.00 60.65 62.62 2kkt s ILE 212 Cb -0.33 -3.93 -0.13 0.00 0.01 0.00 0.00 42.46 38.08 2kkt s ILE 212 CO 0.28 0.26 1.98 -0.24 0.00 0.00 0.00 174.94 177.22 2kkt n SER 213 N 2.27 2.96 0.00 3.58 2.88 -1.19 -4.76 113.62 119.36 2kkt n SER 213 Ca 0.03 -2.65 0.00 0.00 -1.33 0.00 0.00 58.87 54.92 2kkt n SER 213 Cb 0.45 -1.16 0.00 0.00 -0.75 0.00 0.00 64.21 62.76 2kkt n SER 213 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2kkt n GLU 214 N 6.55 0.00 -2.00 -1.46 4.71 -1.26 -4.70 120.64 122.49 2kkt n GLU 214 Ca 0.49 0.00 -0.29 0.00 -0.01 0.00 0.00 57.16 57.36 2kkt n GLU 214 Cb 0.37 0.00 0.06 0.00 -1.01 0.00 0.00 31.44 30.86 2kkt n GLU 214 CO 0.00 0.00 0.00 -1.01 0.09 0.00 0.00 177.13 176.21 2kkt s HIS 215 N 0.00 3.12 -1.16 -0.32 3.76 -1.26 -4.90 115.29 114.53 2kkt s HIS 215 Ca 0.00 0.80 -0.22 0.00 -0.15 0.00 0.00 55.06 55.49 2kkt s HIS 215 Cb 0.00 -3.21 -0.08 0.00 1.11 0.00 0.00 32.58 30.40 2kkt s HIS 215 CO 0.00 -1.39 1.92 2.41 -0.85 0.00 0.00 174.74 176.82 2kkt n THR 216 N -3.06 2.09 0.00 1.30 -1.04 -1.26 -4.60 114.28 107.71 2kkt n THR 216 Ca 0.07 -2.15 0.00 0.00 -2.04 0.00 0.00 64.05 59.94 2kkt n THR 216 Cb 0.59 -2.20 0.00 0.00 -1.82 0.00 0.00 70.33 66.90 2kkt n THR 216 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 2kkt n LYS 217 N 8.14 0.00 -0.41 -2.82 4.76 -1.26 -5.10 118.16 121.47 2kkt n LYS 217 Ca 0.46 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.90 2kkt n LYS 217 Cb 0.46 -0.02 0.00 0.00 -1.84 0.00 0.00 35.03 33.63 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 -0.92 0.00 -4.45 1.97 2.85 -1.26 -5.04 118.16 111.31 2kkt n LYS 218 Ca 0.00 0.00 -0.32 0.00 -1.05 0.00 0.00 58.31 56.94 2kkt n LYS 218 Cb 0.00 0.00 -0.10 0.00 -0.65 0.00 0.00 35.03 34.28 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 -0.22 2.52 0.32 -1.58 -1.94 -1.26 -3.14 119.30 113.99 2kkt s MET 219 Ca 0.00 -0.74 -0.29 0.00 -1.71 0.00 0.00 55.69 52.95 2kkt s MET 219 Cb 0.00 -2.49 -0.10 0.00 2.01 0.00 0.00 34.83 34.25 2kkt s MET 219 CO 0.00 0.60 1.31 0.00 -0.01 0.00 0.00 175.02 176.91 2kkt n THR 221 N 1.03 0.00 -1.47 0.00 -2.24 -1.26 0.92 114.28 111.26 2kkt n THR 221 Ca 0.01 -0.43 0.00 0.00 -2.27 0.00 0.00 64.05 61.36 2kkt n THR 221 Cb 0.42 1.30 0.00 0.00 -2.10 0.00 0.00 70.33 69.95 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 0.56 0.34 -1.18 -0.78 1.74 -1.26 -4.81 116.66 111.27 2kkt n ARG 222 Ca 0.09 0.00 -0.29 0.00 -0.77 0.00 0.00 57.85 56.88 2kkt n ARG 222 Cb 0.41 0.00 0.17 0.00 -1.02 0.00 0.00 32.46 32.02 2kkt n ARG 222 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 2kkt s SER 223 N -1.00 2.71 0.17 0.55 1.04 -1.26 0.38 113.70 116.28 2kkt s SER 223 Ca 0.00 1.22 -0.20 0.00 0.48 0.00 0.00 55.95 57.44 2kkt s SER 223 Cb 0.00 -1.88 0.09 0.00 0.10 0.00 0.00 66.02 64.33 2kkt s SER 223 CO 0.00 -3.08 1.63 -0.07 0.98 0.00 0.00 173.24 172.69 2kkt h LEU 224 N -1.86 -0.77 0.00 2.42 3.38 -1.44 -2.08 115.31 114.96 2kkt h LEU 224 Ca -0.54 0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.59 2kkt h LEU 224 Cb 1.32 0.39 0.00 0.00 0.09 0.00 0.00 40.66 42.47 2kkt h LEU 224 CO 0.57 -0.26 0.00 -1.14 0.09 0.00 0.00 178.44 177.71 2kkt n ARG 225 N -5.39 0.12 0.00 1.13 3.00 -1.26 -4.67 116.66 109.59 2kkt n ARG 225 Ca 0.02 0.16 0.00 0.00 -0.00 0.00 0.00 57.85 58.03 2kkt n ARG 225 Cb 0.30 -1.50 0.00 0.00 0.00 0.00 0.00 32.46 31.26 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 -1.61 0.00 -0.23 0.00 -0.04 -1.26 -4.95 135.00 126.91 2kkt n PRO 227 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 2kkt n PRO 227 Cb 0.00 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 33.47 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 -0.18 0.18 -1.57 0.54 7.27 -1.26 -5.05 117.38 117.30 2kkt n GLN 228 Ca 0.00 -0.85 -0.42 0.00 0.07 0.00 0.00 57.00 55.79 2kkt n GLN 228 Cb 0.00 -0.56 -0.04 0.00 2.41 0.00 0.00 30.24 32.05 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 -0.08 1.81 -1.69 3.69 8.25 -1.26 -4.93 115.22 121.01 2kkt n HIS 229 Ca 0.01 -0.04 -0.29 0.00 -0.26 0.00 0.00 57.72 57.14 2kkt n HIS 229 Cb 0.59 -2.69 0.16 0.00 1.12 0.00 0.00 29.99 29.17 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 9.02 1.94 0.45 1.59 -4.23 -1.26 -4.70 115.64 118.45 2kkt s THR 230 Ca 1.02 0.00 0.26 0.00 -1.18 0.00 0.00 61.69 61.78 2kkt s THR 230 Cb -0.36 -2.85 0.28 0.00 1.34 0.00 0.00 72.50 70.91 2kkt s THR 230 CO 0.35 0.00 2.09 -2.24 -0.54 0.00 0.00 174.62 174.28 2kkt h ASP 231 N -1.62 0.00 -0.26 3.99 2.03 -1.96 0.94 116.42 119.54 2kkt h ASP 231 Ca -0.46 0.00 -0.15 0.00 -0.73 0.00 0.00 57.03 55.69 2kkt h ASP 231 Cb 1.29 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 39.79 2kkt h ASP 231 CO 0.50 0.11 -0.41 -0.33 -1.03 0.00 0.00 179.24 178.08 2kkt h GLU 232 N 0.00 0.74 -0.13 4.15 5.08 -1.98 0.09 114.58 122.53 2kkt h GLU 232 Ca -0.00 -0.45 -0.11 0.00 -1.00 0.00 0.00 59.36 57.80 2kkt h GLU 232 Cb 0.28 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 2kkt h GLU 232 CO 0.01 1.07 -0.42 1.96 -1.00 0.00 0.00 179.01 180.64 2kkt h GLN 233 N 0.48 0.29 -0.14 2.33 4.20 -1.51 0.45 115.11 121.21 2kkt h GLN 233 Ca 0.02 -0.14 -0.17 0.00 0.06 0.00 0.00 58.65 58.42 2kkt h GLN 233 Cb 1.01 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.78 2kkt h GLN 233 CO 0.09 0.67 -0.62 0.00 -0.67 0.00 0.00 178.83 178.30 2kkt h ARG 234 N 0.25 0.49 0.00 1.46 2.47 -0.63 -3.30 114.38 115.13 2kkt h ARG 234 Ca 0.02 -0.34 -0.00 0.00 -1.26 0.00 0.00 59.98 58.40 2kkt h ARG 234 Cb 0.84 0.05 0.00 0.00 -1.65 0.00 0.00 29.97 29.22 2kkt h ARG 234 CO 0.07 0.96 -0.00 -0.09 0.56 0.00 0.00 179.97 181.47 2kkt h ARG 235 N 0.36 -0.00 -0.39 0.04 9.65 -0.23 -3.31 114.38 120.50 2kkt h ARG 235 Ca -0.01 0.00 0.07 0.00 -1.10 0.00 0.00 59.98 58.95 2kkt h ARG 235 Cb 1.17 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 29.73 2kkt h ARG 235 CO 0.11 0.85 0.27 0.00 2.80 0.00 0.00 179.97 184.00 2kkt h THR 236 N -0.88 0.91 0.16 0.20 1.03 -0.23 -0.97 112.91 113.13 2kkt h THR 236 Ca -0.00 -0.07 -0.31 0.00 -0.01 0.00 0.00 66.41 66.02 2kkt h THR 236 Cb 0.86 0.69 0.01 0.00 -1.07 0.00 0.00 68.15 68.64 2kkt h THR 236 CO 0.00 0.04 -1.45 1.62 -0.01 0.00 0.00 175.52 175.72 2kkt h VAL 237 N 0.20 1.28 -0.27 0.00 3.04 -1.70 -2.09 116.25 116.71 2kkt h VAL 237 Ca 0.18 -2.84 -0.17 0.00 -1.01 0.00 0.00 66.70 62.86 2kkt h VAL 237 Cb 0.45 2.90 0.00 0.00 -2.01 0.00 0.00 31.29 32.62 2kkt h VAL 237 CO -0.03 0.85 -0.50 0.03 -1.01 0.00 0.00 177.57 176.91 2kkt h ARG 238 N 0.09 0.81 -0.32 4.17 3.08 -1.43 0.10 114.38 120.88 2kkt h ARG 238 Ca -0.22 -0.51 -0.09 0.00 0.07 0.00 0.00 59.98 59.23 2kkt h ARG 238 Cb 2.05 0.06 -0.02 0.00 0.08 0.00 0.00 29.97 32.14 2kkt h ARG 238 CO 0.21 1.14 -0.17 -0.24 -1.07 0.00 0.00 179.97 179.84 2kkt h VAL 239 N 0.57 1.25 0.14 2.04 3.04 -1.28 0.14 116.25 122.15 2kkt h VAL 239 Ca 0.01 -1.16 -0.01 0.00 -1.01 0.00 0.00 66.70 64.54 2kkt h VAL 239 Cb 1.10 1.19 0.00 0.00 -2.01 0.00 0.00 31.29 31.57 2kkt h VAL 239 CO 0.11 0.38 -0.07 0.22 -1.01 0.00 0.00 177.57 177.21 2kkt h TYR 240 N 0.53 -0.17 0.06 3.17 3.20 -1.21 -2.88 116.97 119.68 2kkt h TYR 240 Ca 0.09 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.95 2kkt h TYR 240 Cb 0.59 0.06 0.00 0.00 1.54 0.00 0.00 36.73 38.91 2kkt h TYR 240 CO 0.02 0.28 -0.03 0.74 -1.64 0.00 0.00 178.16 177.53 2kkt h PHE 241 N -0.72 -0.08 0.00 -3.82 0.04 -0.64 -3.40 116.94 108.32 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 0.52 0.03 0.00 0.00 2.20 0.00 0.00 35.95 38.70 2kkt h PHE 241 CO 0.08 0.43 -0.01 1.47 -0.60 0.00 0.00 178.31 179.68 2kkt n LEU 242 N -4.87 1.79 0.00 1.54 -0.00 0.46 -5.02 117.00 110.90 2kkt n LEU 242 Ca -0.09 -1.87 0.00 0.00 -0.00 0.00 0.00 56.01 54.06 2kkt n LEU 242 Cb 0.27 -0.04 0.00 0.00 -0.00 0.00 0.00 43.42 43.66 2kkt n LEU 242 CO 0.31 0.46 0.00 0.61 -0.00 0.00 0.00 177.39 178.77 2kkt n GLY 243 N -0.52 2.90 0.07 1.47 0.00 -1.12 -4.95 105.19 103.03 2kkt n GLY 243 Ca 0.01 -0.02 0.08 0.00 0.00 0.00 0.00 46.02 46.10 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 0.00 0.09 -0.05 1.61 -0.04 -1.09 -1.59 135.00 133.92 2kkt n PRO 244 Ca 0.00 0.39 0.12 0.00 -0.04 0.00 0.00 63.50 63.97 2kkt n PRO 244 Cb 0.00 -1.69 0.42 0.00 -0.04 0.00 0.00 33.50 32.19 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 -1.85 1.66 -3.56 3.54 7.64 -1.26 -4.48 113.62 115.32 2kkt n SER 245 Ca 0.02 -1.65 -0.41 0.00 1.01 0.00 0.00 58.87 57.85 2kkt n SER 245 Cb 0.15 -0.07 -0.01 0.00 -1.01 0.00 0.00 64.21 63.27 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 0.31 6.52 -3.64 -0.43 0.00 -0.62 -4.71 120.51 117.94 2kkt n ALA 246 Ca 0.17 -3.98 -0.07 0.00 0.00 0.00 0.00 53.44 49.56 2kkt n ALA 246 Cb 0.35 -3.05 -0.07 0.00 0.00 0.00 0.00 19.45 16.67 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 0.49 0.00 0.26 0.00 0.11 -1.26 -4.54 120.40 115.46 2kkt s VAL 247 Ca 0.54 0.00 0.07 0.00 -2.93 0.00 0.00 61.98 59.66 2kkt s VAL 247 Cb 0.16 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.97 2kkt s VAL 247 CO -0.06 0.00 0.17 -0.76 -3.33 0.00 0.00 175.10 171.11 2kkt s LEU 248 N 0.38 3.70 0.00 2.54 1.43 -1.26 -5.16 118.68 120.32 2kkt s LEU 248 Ca 0.02 -0.33 0.27 0.00 -1.03 0.00 0.00 54.13 53.06 2kkt s LEU 248 Cb -0.05 -2.23 1.60 0.00 0.03 0.00 0.00 46.19 45.54 2kkt s LEU 248 CO -0.09 -0.04 1.95 -2.65 0.23 0.00 0.00 176.35 175.74