#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 -0.35 0.00 0.54 4.57 -2.00 -0.26 114.58 117.08 2kkt h GLU 199 Ca 0.00 0.02 -0.09 0.00 -1.18 0.00 0.00 59.36 58.11 2kkt h GLU 199 Cb 0.00 0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 28.66 2kkt h GLU 199 CO 0.00 -0.00 -0.43 1.05 -1.18 0.00 0.00 179.01 178.45 2kkt h GLU 200 N -0.85 0.00 -0.33 1.92 9.09 -2.04 0.13 114.58 122.50 2kkt h GLU 200 Ca -0.04 0.00 -0.04 0.00 0.05 0.00 0.00 59.36 59.33 2kkt h GLU 200 Cb 0.51 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.60 2kkt h GLU 200 CO 0.06 0.43 0.06 1.25 0.05 0.00 0.00 179.01 180.86 2kkt h LEU 201 N 0.00 0.53 -1.34 3.06 6.46 -1.98 0.34 115.31 122.37 2kkt h LEU 201 Ca -0.00 -0.26 -0.06 0.00 -0.12 0.00 0.00 57.88 57.43 2kkt h LEU 201 Cb 0.95 -0.14 -0.01 0.00 -0.73 0.00 0.00 40.66 40.73 2kkt h LEU 201 CO 0.06 0.65 -0.27 -0.09 -0.62 0.00 0.00 178.44 178.17 2kkt h ARG 202 N 0.38 0.09 -0.47 1.25 2.43 -0.45 -0.89 114.38 116.72 2kkt h ARG 202 Ca 0.10 -0.03 -0.10 0.00 -0.81 0.00 0.00 59.98 59.14 2kkt h ARG 202 Cb 0.35 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.87 2kkt h ARG 202 CO 0.01 0.36 -0.12 1.03 -1.51 0.00 0.00 179.97 179.73 2kkt h SER 203 N 0.08 0.88 0.25 -3.80 0.87 -0.32 -3.06 113.55 108.44 2kkt h SER 203 Ca 0.01 -0.28 0.01 0.00 -1.23 0.00 0.00 61.79 60.30 2kkt h SER 203 Cb 0.52 -0.24 -0.03 0.00 -0.44 0.00 0.00 62.40 62.22 2kkt h SER 203 CO 0.04 1.01 -0.33 0.25 -0.53 0.00 0.00 176.83 177.27 2kkt h LEU 204 N 0.79 -0.92 -0.15 2.23 6.46 0.96 -2.46 115.31 122.22 2kkt h LEU 204 Ca 0.13 0.09 0.00 0.00 -0.12 0.00 0.00 57.88 57.98 2kkt h LEU 204 Cb 0.65 0.33 0.00 0.00 -0.73 0.00 0.00 40.66 40.90 2kkt h LEU 204 CO 0.04 -0.45 0.06 0.18 -0.62 0.00 0.00 178.44 177.66 2kkt n LEU 205 N -5.43 0.06 0.12 2.25 7.99 -0.52 0.35 117.00 121.82 2kkt n LEU 205 Ca -0.08 0.47 0.02 0.00 -0.01 0.00 0.00 56.01 56.40 2kkt n LEU 205 Cb 0.34 -0.48 0.35 0.00 -0.11 0.00 0.00 43.42 43.53 2kkt n LEU 205 CO 0.26 -0.49 0.82 0.74 -1.51 0.00 0.00 177.39 177.20 2kkt h THR 206 N 0.00 1.22 0.00 -5.08 2.02 -1.38 -3.39 112.91 106.30 2kkt h THR 206 Ca 0.00 -1.00 0.00 0.00 0.77 0.00 0.00 66.41 66.18 2kkt h THR 206 Cb 0.12 1.37 0.00 0.00 -1.74 0.00 0.00 68.15 67.91 2kkt h THR 206 CO 0.00 0.30 -0.03 1.07 0.37 0.00 0.00 175.52 177.23 2kkt n THR 207 N -4.20 0.00 -2.92 3.16 5.66 -0.52 -4.99 114.28 110.48 2kkt n THR 207 Ca -0.01 0.00 -0.40 0.00 -3.05 0.00 0.00 64.05 60.59 2kkt n THR 207 Cb 0.33 -0.02 -0.05 0.00 -1.55 0.00 0.00 70.33 69.04 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 -0.87 4.55 0.06 1.09 -0.21 0.16 -0.72 119.66 123.70 2kkt s GLN 208 Ca 0.00 1.16 -0.15 0.00 0.02 0.00 0.00 55.36 56.40 2kkt s GLN 208 Cb 0.00 -3.37 -0.05 0.00 1.00 0.00 0.00 33.01 30.60 2kkt s GLN 208 CO 0.00 0.26 1.25 0.00 -2.12 0.00 0.00 175.29 174.68 2kkt n GLY 210 N -1.16 1.45 3.63 0.00 0.00 0.18 -4.66 105.19 104.62 2kkt n GLY 210 Ca -0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.80 3.44 -0.21 1.61 0.11 -1.26 -3.37 120.40 117.92 2kkt s VAL 211 Ca 0.00 0.49 -0.29 0.00 -2.93 0.00 0.00 61.98 59.25 2kkt s VAL 211 Cb 0.00 -3.46 -0.02 0.00 -1.53 0.00 0.00 36.38 31.37 2kkt s VAL 211 CO 0.00 -0.20 1.46 -0.63 -3.33 0.00 0.00 175.10 172.40 2kkt s ILE 212 N 5.79 3.92 -1.16 7.04 1.01 -1.25 -1.14 121.20 135.40 2kkt s ILE 212 Ca 0.80 1.06 -0.19 0.00 0.00 0.00 0.00 60.65 62.32 2kkt s ILE 212 Cb -0.29 -3.86 -0.04 0.00 0.01 0.00 0.00 42.46 38.28 2kkt s ILE 212 CO 0.33 -0.29 1.96 -1.20 0.00 0.00 0.00 174.94 175.74 2kkt n SER 213 N 7.72 3.55 0.00 3.58 7.64 -0.67 -4.75 113.62 130.68 2kkt n SER 213 Ca 0.17 -2.78 0.00 0.00 1.01 0.00 0.00 58.87 57.26 2kkt n SER 213 Cb 0.45 -1.54 0.00 0.00 -1.01 0.00 0.00 64.21 62.11 2kkt n SER 213 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 2kkt n GLU 214 N 7.37 0.00 -3.57 1.43 2.13 -1.26 -3.91 120.64 122.84 2kkt n GLU 214 Ca 0.49 0.00 -0.13 0.00 0.66 0.00 0.00 57.16 58.18 2kkt n GLU 214 Cb 0.43 0.00 -0.06 0.00 0.27 0.00 0.00 31.44 32.08 2kkt n GLU 214 CO 0.00 0.00 0.00 -3.38 -0.41 0.00 0.00 177.13 173.34 2kkt s HIS 215 N 0.00 -0.52 0.00 4.31 -3.43 -1.26 -4.96 115.29 109.43 2kkt s HIS 215 Ca 0.00 0.97 0.00 0.00 -0.80 0.00 0.00 55.06 55.23 2kkt s HIS 215 Cb 0.00 0.41 0.00 0.00 -1.43 0.00 0.00 32.58 31.56 2kkt s HIS 215 CO 0.00 -0.43 0.00 2.41 -2.00 0.00 0.00 174.74 174.72 2kkt n THR 216 N 1.09 0.00 0.58 -5.38 -1.04 -1.26 -4.51 114.28 103.77 2kkt n THR 216 Ca -0.14 0.00 0.13 0.00 -2.04 0.00 0.00 64.05 62.00 2kkt n THR 216 Cb 0.57 0.00 0.35 0.00 -1.82 0.00 0.00 70.33 69.43 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 0.00 0.00 0.00 -2.82 1.63 -1.94 -3.49 116.57 109.95 2kkt h LYS 217 Ca 0.00 0.00 0.02 0.00 -0.85 0.00 0.00 60.65 59.82 2kkt h LYS 217 Cb 0.00 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 31.62 2kkt h LYS 217 CO 0.00 0.00 -0.03 0.36 -3.45 0.00 0.00 179.45 176.33 2kkt n LYS 218 N -2.31 -0.16 -1.73 1.90 2.85 -1.26 -4.64 118.16 112.81 2kkt n LYS 218 Ca 0.05 0.10 -0.42 0.00 -1.05 0.00 0.00 58.31 56.99 2kkt n LYS 218 Cb 0.44 -0.19 -0.01 0.00 -0.65 0.00 0.00 35.03 34.62 2kkt n LYS 218 CO 0.00 0.00 0.00 -1.33 -0.05 0.00 0.00 177.40 176.02 2kkt n MET 219 N -1.60 2.42 -3.00 -1.58 2.81 -1.26 -1.67 117.12 113.24 2kkt n MET 219 Ca 0.00 0.85 -0.36 0.00 -1.81 0.00 0.00 57.70 56.38 2kkt n MET 219 Cb 0.04 -2.54 -0.06 0.00 -0.71 0.00 0.00 33.22 29.94 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 0.66 1.59 -0.38 0.00 -2.24 -1.26 0.48 114.28 113.13 2kkt n THR 221 Ca -0.01 -0.72 -0.02 0.00 -2.27 0.00 0.00 64.05 61.03 2kkt n THR 221 Cb 0.51 -1.20 0.02 0.00 -2.10 0.00 0.00 70.33 67.55 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 -3.16 -1.50 -1.03 -0.78 1.74 -1.26 -4.45 116.66 106.22 2kkt n ARG 222 Ca -0.31 -0.13 -0.30 0.00 -0.77 0.00 0.00 57.85 56.34 2kkt n ARG 222 Cb 1.06 -0.13 0.16 0.00 -1.02 0.00 0.00 32.46 32.53 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 -1.84 3.04 0.18 0.55 0.15 -1.26 0.99 113.70 115.51 2kkt s SER 223 Ca 0.05 1.61 -0.19 0.00 0.70 0.00 0.00 55.95 58.12 2kkt s SER 223 Cb -0.01 -2.26 0.13 0.00 -1.71 0.00 0.00 66.02 62.17 2kkt s SER 223 CO 0.04 -2.93 1.61 -0.07 1.20 0.00 0.00 173.24 173.09 2kkt h LEU 224 N -1.75 -0.93 -0.74 3.45 3.38 -1.14 -1.54 115.31 116.04 2kkt h LEU 224 Ca -0.50 0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.67 2kkt h LEU 224 Cb 1.29 0.48 0.00 0.00 0.09 0.00 0.00 40.66 42.52 2kkt h LEU 224 CO 0.52 -0.28 0.00 -2.11 0.09 0.00 0.00 178.44 176.66 2kkt n ARG 225 N -5.42 1.13 -0.26 1.13 1.85 -1.26 -4.53 116.66 109.29 2kkt n ARG 225 Ca 0.04 -0.12 -0.09 0.00 -1.00 0.00 0.00 57.85 56.67 2kkt n ARG 225 Cb 0.34 -1.34 -0.08 0.00 -1.05 0.00 0.00 32.46 30.32 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 -4.76 0.00 -0.03 0.00 -0.04 -1.26 -4.98 135.00 123.93 2kkt n PRO 227 Ca 0.00 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.48 2kkt n PRO 227 Cb 0.22 0.00 0.03 0.00 -0.04 0.00 0.00 33.50 33.71 2kkt n PRO 227 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 2kkt n GLN 228 N 0.00 1.78 -1.75 0.54 1.13 -1.26 -4.94 117.38 112.88 2kkt n GLN 228 Ca 0.00 -1.31 -0.27 0.00 -1.94 0.00 0.00 57.00 53.48 2kkt n GLN 228 Cb 0.00 -1.06 -0.05 0.00 0.11 0.00 0.00 30.24 29.24 2kkt n GLN 228 CO 0.00 0.00 0.00 -1.01 -1.44 0.00 0.00 177.06 174.61 2kkt s HIS 229 N -0.74 1.35 1.12 1.08 3.76 -1.26 -4.93 115.29 115.66 2kkt s HIS 229 Ca 0.05 1.37 -0.17 0.00 -0.15 0.00 0.00 55.06 56.16 2kkt s HIS 229 Cb 0.03 -3.72 0.25 0.00 1.11 0.00 0.00 32.58 30.24 2kkt s HIS 229 CO 0.04 -2.00 1.14 0.95 -0.85 0.00 0.00 174.74 174.01 2kkt s THR 230 N 12.07 1.75 0.47 1.30 -4.23 -1.26 -4.59 115.64 121.15 2kkt s THR 230 Ca 0.85 0.00 0.14 0.00 -1.18 0.00 0.00 61.69 61.49 2kkt s THR 230 Cb -0.13 -2.58 0.22 0.00 1.34 0.00 0.00 72.50 71.36 2kkt s THR 230 CO 0.13 0.00 2.05 -0.78 -0.54 0.00 0.00 174.62 175.49 2kkt h ASP 231 N -2.27 0.07 -0.22 3.99 3.58 -1.92 -1.30 116.42 118.34 2kkt h ASP 231 Ca -0.47 -0.01 -0.10 0.00 0.42 0.00 0.00 57.03 56.88 2kkt h ASP 231 Cb 1.30 -0.02 -0.02 0.00 1.72 0.00 0.00 39.33 42.31 2kkt h ASP 231 CO 0.41 0.14 -0.17 -0.33 -2.88 0.00 0.00 179.24 176.41 2kkt h GLU 232 N 0.08 0.66 -0.38 0.28 5.08 -1.97 0.16 114.58 118.48 2kkt h GLU 232 Ca 0.02 -0.23 -0.13 0.00 -1.00 0.00 0.00 59.36 58.02 2kkt h GLU 232 Cb 0.16 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 2kkt h GLU 232 CO 0.01 0.79 -0.28 1.96 -1.00 0.00 0.00 179.01 180.49 2kkt h GLN 233 N 0.59 0.80 0.00 2.33 4.20 -1.58 0.42 115.11 121.87 2kkt h GLN 233 Ca 0.09 -0.36 -0.14 0.00 0.06 0.00 0.00 58.65 58.31 2kkt h GLN 233 Cb 0.63 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.37 2kkt h GLN 233 CO 0.04 0.98 -0.70 0.00 -0.67 0.00 0.00 178.83 178.48 2kkt h ARG 234 N 0.68 0.00 -0.13 1.46 3.08 -0.95 -3.02 114.38 115.50 2kkt h ARG 234 Ca 0.08 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 60.07 2kkt h ARG 234 Cb 0.82 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.87 2kkt h ARG 234 CO 0.07 0.61 -0.15 -0.09 -1.07 0.00 0.00 179.97 179.34 2kkt h ARG 235 N 0.00 0.33 -0.83 0.04 9.65 -0.30 -1.87 114.38 121.40 2kkt h ARG 235 Ca -0.02 -0.18 0.15 0.00 -1.10 0.00 0.00 59.98 58.83 2kkt h ARG 235 Cb 1.50 0.01 -0.10 0.00 -1.39 0.00 0.00 29.97 30.00 2kkt h ARG 235 CO 0.08 0.74 0.39 1.15 2.80 0.00 0.00 179.97 185.14 2kkt h THR 236 N -0.06 0.68 0.12 0.20 2.02 -0.11 0.21 112.91 115.97 2kkt h THR 236 Ca 0.02 -0.19 -0.29 0.00 0.77 0.00 0.00 66.41 66.72 2kkt h THR 236 Cb 0.69 0.08 -0.00 0.00 -1.74 0.00 0.00 68.15 67.19 2kkt h THR 236 CO 0.04 0.10 -1.39 1.62 0.37 0.00 0.00 175.52 176.26 2kkt h VAL 237 N 0.54 1.32 -0.30 3.16 3.04 -1.41 -2.94 116.25 119.67 2kkt h VAL 237 Ca 0.46 -2.93 -0.04 0.00 -1.01 0.00 0.00 66.70 63.18 2kkt h VAL 237 Cb 0.70 2.85 -0.01 0.00 -2.01 0.00 0.00 31.29 32.82 2kkt h VAL 237 CO -0.40 0.85 0.04 0.03 -1.01 0.00 0.00 177.57 177.08 2kkt h ARG 238 N 0.07 0.50 -0.15 4.17 3.08 -0.66 0.77 114.38 122.15 2kkt h ARG 238 Ca -0.19 -0.14 -0.05 0.00 0.07 0.00 0.00 59.98 59.67 2kkt h ARG 238 Cb 2.00 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 31.98 2kkt h ARG 238 CO 0.18 0.61 -0.14 -0.24 -1.07 0.00 0.00 179.97 179.31 2kkt h VAL 239 N 0.31 1.19 0.09 2.04 3.04 -0.69 0.46 116.25 122.68 2kkt h VAL 239 Ca 0.09 -0.82 -0.00 0.00 -1.01 0.00 0.00 66.70 64.95 2kkt h VAL 239 Cb 0.36 1.23 0.00 0.00 -2.01 0.00 0.00 31.29 30.88 2kkt h VAL 239 CO 0.01 0.26 -0.04 0.22 -1.01 0.00 0.00 177.57 177.00 2kkt h TYR 240 N 0.23 -0.11 0.06 3.17 3.20 -1.32 -3.13 116.97 119.07 2kkt h TYR 240 Ca 0.05 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.91 2kkt h TYR 240 Cb 0.40 0.04 0.00 0.00 1.54 0.00 0.00 36.73 38.71 2kkt h TYR 240 CO 0.01 0.43 -0.03 0.74 -1.64 0.00 0.00 178.16 177.66 2kkt h PHE 241 N -0.84 -0.07 -0.19 -3.82 0.04 -0.53 -3.39 116.94 108.14 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 0.59 0.02 0.00 0.00 2.20 0.00 0.00 35.95 38.76 2kkt h PHE 241 CO 0.12 0.53 0.00 1.47 -0.60 0.00 0.00 178.31 179.83 2kkt n LEU 242 N -4.79 2.89 0.00 1.54 -0.00 0.16 -5.01 117.00 111.79 2kkt n LEU 242 Ca -0.08 -1.28 0.00 0.00 -0.00 0.00 0.00 56.01 54.65 2kkt n LEU 242 Cb 0.31 -0.11 0.00 0.00 -0.00 0.00 0.00 43.42 43.62 2kkt n LEU 242 CO 0.28 0.58 0.00 0.61 -0.00 0.00 0.00 177.39 178.86 2kkt n GLY 243 N 1.13 4.08 0.30 1.47 0.00 -1.15 -4.84 105.19 106.19 2kkt n GLY 243 Ca 0.14 -1.46 0.17 0.00 0.00 0.00 0.00 46.02 44.87 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 -1.02 1.61 0.13 -1.87 -1.82 132.00 129.04 2kkt h PRO 244 Ca 0.00 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 64.89 2kkt h PRO 244 Cb 0.00 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 30.99 2kkt h PRO 244 CO 0.00 0.03 0.31 0.43 -0.23 0.00 0.00 178.00 178.54 2kkt n SER 245 N -3.46 3.45 -0.34 1.44 7.64 -1.26 -4.00 113.62 117.09 2kkt n SER 245 Ca -0.02 -2.76 0.03 0.00 1.01 0.00 0.00 58.87 57.13 2kkt n SER 245 Cb 0.14 -0.67 0.10 0.00 -1.01 0.00 0.00 64.21 62.76 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 -0.24 2.47 -3.79 -0.43 0.00 -0.68 -4.19 120.51 113.65 2kkt n ALA 246 Ca 0.28 -0.33 -0.35 0.00 0.00 0.00 0.00 53.44 53.04 2kkt n ALA 246 Cb 1.03 -0.99 -0.12 0.00 0.00 0.00 0.00 19.45 19.37 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 -1.76 3.14 0.10 0.00 1.01 -1.26 -4.82 120.40 116.82 2kkt s VAL 247 Ca 0.13 -2.03 -0.36 0.00 0.00 0.00 0.00 61.98 59.72 2kkt s VAL 247 Cb 0.07 -3.14 -0.17 0.00 0.00 0.00 0.00 36.38 33.14 2kkt s VAL 247 CO 0.09 -0.63 1.26 0.18 0.00 0.00 0.00 175.10 176.01 2kkt n LEU 248 N 4.56 1.44 0.00 3.92 4.32 -1.26 -5.13 117.00 124.85 2kkt n LEU 248 Ca -0.02 1.13 0.00 0.00 -0.02 0.00 0.00 56.01 57.09 2kkt n LEU 248 Cb 0.42 -1.17 0.00 0.00 -1.62 0.00 0.00 43.42 41.05 2kkt n LEU 248 CO 0.31 -1.20 0.20 -2.65 -1.22 0.00 0.00 177.39 172.82