#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 0.45 -0.38 0.54 4.11 -2.01 0.19 114.58 117.48 2kkt h GLU 199 Ca 0.00 -0.24 -0.10 0.00 0.07 0.00 0.00 59.36 59.09 2kkt h GLU 199 Cb 0.00 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.25 2kkt h GLU 199 CO 0.00 0.82 -0.17 0.93 0.07 0.00 0.00 179.01 180.66 2kkt h GLU 200 N 0.11 0.70 -0.04 1.06 4.39 -2.05 -1.83 114.58 116.93 2kkt h GLU 200 Ca 0.03 -0.25 0.01 0.00 0.34 0.00 0.00 59.36 59.48 2kkt h GLU 200 Cb 0.74 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.33 2kkt h GLU 200 CO 0.05 0.83 -0.00 1.25 -1.16 0.00 0.00 179.01 179.97 2kkt h LEU 201 N 0.63 -0.02 -0.84 1.33 6.46 -1.96 0.52 115.31 121.43 2kkt h LEU 201 Ca 0.10 0.01 0.15 0.00 -0.12 0.00 0.00 57.88 58.02 2kkt h LEU 201 Cb 0.63 0.02 -0.10 0.00 -0.73 0.00 0.00 40.66 40.48 2kkt h LEU 201 CO 0.04 -0.00 0.41 -0.09 -0.62 0.00 0.00 178.44 178.18 2kkt h ARG 202 N 0.01 0.56 -0.36 1.25 1.12 -0.38 0.01 114.38 116.59 2kkt h ARG 202 Ca 0.02 -0.03 -0.13 0.00 -1.11 0.00 0.00 59.98 58.72 2kkt h ARG 202 Cb 0.02 -0.13 -0.01 0.00 -0.01 0.00 0.00 29.97 29.84 2kkt h ARG 202 CO -0.03 0.37 -0.30 1.03 -3.11 0.00 0.00 179.97 177.93 2kkt h SER 203 N 0.57 0.80 0.50 -3.80 0.87 -0.36 -3.18 113.55 108.95 2kkt h SER 203 Ca 0.47 -0.32 -0.02 0.00 -1.23 0.00 0.00 61.79 60.69 2kkt h SER 203 Cb 0.69 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 62.43 2kkt h SER 203 CO -0.39 1.04 -0.31 0.25 -0.53 0.00 0.00 176.83 176.90 2kkt h LEU 204 N 0.66 -0.78 -0.15 2.23 6.46 0.16 -2.83 115.31 121.05 2kkt h LEU 204 Ca 0.08 0.05 0.00 0.00 -0.12 0.00 0.00 57.88 57.88 2kkt h LEU 204 Cb 0.82 0.23 0.00 0.00 -0.73 0.00 0.00 40.66 40.99 2kkt h LEU 204 CO 0.07 -0.49 0.08 0.18 -0.62 0.00 0.00 178.44 177.66 2kkt n LEU 205 N -5.44 0.06 0.12 2.25 7.99 -0.17 0.48 117.00 122.29 2kkt n LEU 205 Ca -0.12 0.46 -0.02 0.00 -0.01 0.00 0.00 56.01 56.33 2kkt n LEU 205 Cb 0.34 -0.46 0.07 0.00 -0.11 0.00 0.00 43.42 43.25 2kkt n LEU 205 CO 0.34 -0.48 0.39 0.74 -1.51 0.00 0.00 177.39 176.87 2kkt h THR 206 N 0.00 1.36 0.00 -5.08 2.02 -1.52 -3.41 112.91 106.28 2kkt h THR 206 Ca 0.00 -2.52 0.00 0.00 0.77 0.00 0.00 66.41 64.66 2kkt h THR 206 Cb 0.15 2.42 0.00 0.00 -1.74 0.00 0.00 68.15 68.98 2kkt h THR 206 CO 0.00 0.69 0.00 1.07 0.37 0.00 0.00 175.52 177.65 2kkt n THR 207 N -3.49 0.00 -4.04 3.16 5.66 -0.30 -5.00 114.28 110.26 2kkt n THR 207 Ca -0.00 0.00 -0.36 0.00 -3.05 0.00 0.00 64.05 60.64 2kkt n THR 207 Cb 0.74 0.18 -0.08 0.00 -1.55 0.00 0.00 70.33 69.61 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 0.00 3.53 0.00 1.09 -0.21 0.18 -2.06 119.66 122.18 2kkt s GLN 208 Ca 0.00 -0.28 0.00 0.00 0.02 0.00 0.00 55.36 55.10 2kkt s GLN 208 Cb 0.00 -3.10 0.00 0.00 1.00 0.00 0.00 33.01 30.91 2kkt s GLN 208 CO 0.00 0.58 0.60 0.00 -2.12 0.00 0.00 175.29 174.35 2kkt n GLY 210 N -0.96 1.16 3.66 0.00 0.00 0.23 -4.81 105.19 104.47 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 -3.85 3.98 -0.60 1.61 0.11 -1.26 -3.54 120.40 116.85 2kkt s VAL 211 Ca 0.00 1.21 -0.27 0.00 -2.93 0.00 0.00 61.98 59.99 2kkt s VAL 211 Cb 0.00 -3.78 -0.01 0.00 -1.53 0.00 0.00 36.38 31.06 2kkt s VAL 211 CO 0.00 -0.10 1.68 -0.63 -3.33 0.00 0.00 175.10 172.72 2kkt s ILE 212 N 3.57 3.50 0.09 7.04 1.09 -1.25 -0.91 121.20 134.34 2kkt s ILE 212 Ca 0.62 0.34 -0.19 0.00 -1.10 0.00 0.00 60.65 60.33 2kkt s ILE 212 Cb -0.27 -4.17 -0.08 0.00 -1.06 0.00 0.00 42.46 36.89 2kkt s ILE 212 CO 0.21 -1.07 1.54 -1.28 -0.10 0.00 0.00 174.94 174.24 2kkt h SER 213 N 13.28 0.40 -4.80 3.58 0.87 -1.79 -3.47 113.55 121.62 2kkt h SER 213 Ca -0.27 -0.28 0.04 0.00 -1.23 0.00 0.00 61.79 60.05 2kkt h SER 213 Cb 1.13 -0.11 -0.14 0.00 -0.44 0.00 0.00 62.40 62.84 2kkt h SER 213 CO 1.21 0.58 0.36 -0.70 -0.53 0.00 0.00 176.83 177.74 2kkt s GLU 214 N -5.10 1.03 0.53 2.24 2.56 -1.26 -4.99 118.70 113.71 2kkt s GLU 214 Ca -0.14 -0.35 0.26 0.00 0.00 0.00 0.00 54.97 54.75 2kkt s GLU 214 Cb 0.07 0.48 1.46 0.00 2.00 0.00 0.00 34.13 38.14 2kkt s GLU 214 CO 0.74 -0.44 2.10 1.12 -0.56 0.00 0.00 175.26 178.21 2kkt h HIS 215 N 2.05 0.00 0.00 5.30 2.07 -1.91 0.48 115.15 123.14 2kkt h HIS 215 Ca -0.28 0.00 -0.08 0.00 -2.85 0.00 0.00 60.37 57.16 2kkt h HIS 215 Cb 1.27 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 31.24 2kkt h HIS 215 CO 0.25 0.11 -0.38 1.15 -3.07 0.00 0.00 177.93 175.98 2kkt h THR 216 N 0.00 0.86 0.00 6.12 2.02 -2.01 -3.22 112.91 116.69 2kkt h THR 216 Ca -0.00 -1.57 -0.23 0.00 0.77 0.00 0.00 66.41 65.38 2kkt h THR 216 Cb 0.27 1.97 -0.04 0.00 -1.74 0.00 0.00 68.15 68.61 2kkt h THR 216 CO 0.01 0.37 -2.12 1.17 0.37 0.00 0.00 175.52 175.32 2kkt n LYS 217 N -3.49 0.93 0.00 6.66 0.00 -0.27 -5.08 118.16 116.91 2kkt n LYS 217 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 58.31 58.25 2kkt n LYS 217 Cb 0.53 -1.46 0.00 0.00 0.00 0.00 0.00 35.03 34.10 2kkt n LYS 217 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.40 177.76 2kkt n LYS 218 N -2.52 0.00 -1.68 1.64 2.85 0.15 -4.71 118.16 113.90 2kkt n LYS 218 Ca -0.22 0.00 -0.45 0.00 -1.05 0.00 0.00 58.31 56.59 2kkt n LYS 218 Cb 0.91 0.00 -0.04 0.00 -0.65 0.00 0.00 35.03 35.25 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 0.00 2.24 -2.44 -1.58 2.81 -1.26 -2.36 117.12 114.52 2kkt n MET 219 Ca 0.00 0.81 -0.37 0.00 -1.81 0.00 0.00 57.70 56.33 2kkt n MET 219 Cb 0.00 -2.57 -0.03 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 -0.17 1.62 -0.17 0.00 -2.24 -1.26 0.78 114.28 112.84 2kkt n THR 221 Ca 0.06 -0.43 -0.12 0.00 -2.27 0.00 0.00 64.05 61.29 2kkt n THR 221 Cb 0.49 -1.78 0.12 0.00 -2.10 0.00 0.00 70.33 67.06 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 -3.82 -3.02 -0.70 -0.78 1.74 -1.26 -4.31 116.66 104.50 2kkt n ARG 222 Ca -0.39 -0.60 -0.32 0.00 -0.77 0.00 0.00 57.85 55.77 2kkt n ARG 222 Cb 0.91 -0.75 0.16 0.00 -1.02 0.00 0.00 32.46 31.76 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 -4.10 -1.33 -0.20 0.55 2.88 -1.26 0.87 113.62 111.03 2kkt n SER 223 Ca 0.06 0.24 0.01 0.00 -1.33 0.00 0.00 58.87 57.85 2kkt n SER 223 Cb 0.24 -1.27 0.11 0.00 -0.75 0.00 0.00 64.21 62.55 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 -1.86 -0.09 -2.53 2.46 3.38 -1.65 -1.18 115.31 113.83 2kkt h LEU 224 Ca -0.47 0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.63 2kkt h LEU 224 Cb 1.29 0.20 0.00 0.00 0.09 0.00 0.00 40.66 42.24 2kkt h LEU 224 CO 0.38 -0.04 0.00 -2.11 0.09 0.00 0.00 178.44 176.77 2kkt n ARG 225 N -5.18 3.33 -0.29 1.13 -4.01 -1.26 -4.67 116.66 105.71 2kkt n ARG 225 Ca 0.09 -1.94 -0.07 0.00 -1.04 0.00 0.00 57.85 54.88 2kkt n ARG 225 Cb 0.34 -1.93 -0.07 0.00 -3.04 0.00 0.00 32.46 27.76 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 -4.88 0.00 0.00 0.00 -0.04 -1.26 -4.96 135.00 123.85 2kkt n PRO 227 Ca 0.02 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.48 2kkt n PRO 227 Cb 0.19 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.65 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 2.14 -1.93 0.54 -0.06 -1.26 -4.96 117.38 111.85 2kkt n GLN 228 Ca 0.00 -1.27 -0.40 0.00 -2.00 0.00 0.00 57.00 53.33 2kkt n GLN 228 Cb 0.00 -0.97 -0.03 0.00 -4.06 0.00 0.00 30.24 25.18 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 -0.77 1.61 0.95 3.69 3.76 -1.26 -4.94 115.29 118.32 2kkt s HIS 229 Ca 0.00 0.83 -0.15 0.00 -0.15 0.00 0.00 55.06 55.59 2kkt s HIS 229 Cb 0.00 -4.02 0.18 0.00 1.11 0.00 0.00 32.58 29.85 2kkt s HIS 229 CO 0.00 -2.67 1.28 0.95 -0.85 0.00 0.00 174.74 173.45 2kkt s THR 230 N 8.67 1.97 0.34 1.30 -4.23 -1.26 -4.39 115.64 118.05 2kkt s THR 230 Ca 0.78 0.00 0.26 0.00 -1.18 0.00 0.00 61.69 61.55 2kkt s THR 230 Cb -0.18 -2.96 0.27 0.00 1.34 0.00 0.00 72.50 70.97 2kkt s THR 230 CO 0.27 0.00 2.00 -2.24 -0.54 0.00 0.00 174.62 174.11 2kkt h ASP 231 N -1.61 0.00 -0.24 3.99 2.03 -1.92 -1.00 116.42 117.68 2kkt h ASP 231 Ca -0.45 0.00 -0.14 0.00 -0.73 0.00 0.00 57.03 55.71 2kkt h ASP 231 Cb 1.26 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 39.76 2kkt h ASP 231 CO 0.43 0.16 -0.41 -0.33 -1.03 0.00 0.00 179.24 178.05 2kkt h GLU 232 N 0.00 0.70 -0.16 4.15 5.08 -1.98 -0.20 114.58 122.17 2kkt h GLU 232 Ca -0.00 -0.44 -0.06 0.00 -1.00 0.00 0.00 59.36 57.86 2kkt h GLU 232 Cb 0.45 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.74 2kkt h GLU 232 CO 0.02 1.06 -0.18 1.96 -1.00 0.00 0.00 179.01 180.87 2kkt h GLN 233 N 0.43 0.27 -0.06 2.33 4.20 -1.79 0.22 115.11 120.70 2kkt h GLN 233 Ca 0.02 -0.07 -0.06 0.00 0.06 0.00 0.00 58.65 58.59 2kkt h GLN 233 Cb 1.01 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.76 2kkt h GLN 233 CO 0.09 0.45 -0.20 0.00 -0.67 0.00 0.00 178.83 178.50 2kkt h ARG 234 N 0.25 0.24 0.04 1.46 2.47 -0.82 -3.28 114.38 114.73 2kkt h ARG 234 Ca 0.05 -0.18 0.00 0.00 -1.26 0.00 0.00 59.98 58.59 2kkt h ARG 234 Cb 0.47 0.03 -0.01 0.00 -1.65 0.00 0.00 29.97 28.81 2kkt h ARG 234 CO 0.03 0.81 -0.05 -0.09 0.56 0.00 0.00 179.97 181.23 2kkt h ARG 235 N -0.29 -0.11 -0.55 0.04 2.43 -0.46 -2.65 114.38 112.80 2kkt h ARG 235 Ca -0.01 0.01 0.16 0.00 -0.81 0.00 0.00 59.98 59.33 2kkt h ARG 235 Cb 0.83 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.39 2kkt h ARG 235 CO 0.04 -0.07 0.41 0.00 -1.51 0.00 0.00 179.97 178.84 2kkt h THR 236 N -0.11 0.69 0.00 0.20 1.03 -0.71 -0.50 112.91 113.51 2kkt h THR 236 Ca 0.01 0.00 -0.21 0.00 -0.01 0.00 0.00 66.41 66.20 2kkt h THR 236 Cb 0.11 0.72 -0.03 0.00 -1.07 0.00 0.00 68.15 67.88 2kkt h THR 236 CO -0.02 0.00 -1.06 0.58 -0.01 0.00 0.00 175.52 175.00 2kkt h VAL 237 N 0.00 1.38 -0.00 0.00 2.07 -1.53 -0.39 116.25 117.77 2kkt h VAL 237 Ca 0.26 -3.04 -0.26 0.00 0.82 0.00 0.00 66.70 64.48 2kkt h VAL 237 Cb 1.07 2.67 0.02 0.00 -1.52 0.00 0.00 31.29 33.52 2kkt h VAL 237 CO -0.00 0.78 -1.01 0.03 0.02 0.00 0.00 177.57 177.39 2kkt h ARG 238 N 0.00 0.63 -0.32 1.57 -0.00 -1.07 0.11 114.38 115.30 2kkt h ARG 238 Ca -0.06 -0.67 -0.04 0.00 -0.50 0.00 0.00 59.98 58.70 2kkt h ARG 238 Cb 1.74 0.19 -0.02 0.00 0.00 0.00 0.00 29.97 31.89 2kkt h ARG 238 CO 0.11 1.27 0.03 0.28 0.00 0.00 0.00 179.97 181.66 2kkt h VAL 239 N 0.36 1.18 0.08 2.04 2.07 -1.43 0.46 116.25 121.00 2kkt h VAL 239 Ca -0.12 -0.67 -0.00 0.00 0.82 0.00 0.00 66.70 66.73 2kkt h VAL 239 Cb 1.66 0.90 0.00 0.00 -1.52 0.00 0.00 31.29 32.33 2kkt h VAL 239 CO 0.19 0.23 -0.04 0.22 0.02 0.00 0.00 177.57 178.20 2kkt h TYR 240 N 0.47 -0.10 0.00 1.57 3.20 -0.75 -3.18 116.97 118.19 2kkt h TYR 240 Ca 0.11 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.97 2kkt h TYR 240 Cb 0.26 0.03 -0.00 0.00 1.54 0.00 0.00 36.73 38.57 2kkt h TYR 240 CO 0.01 0.46 -0.01 0.74 -1.64 0.00 0.00 178.16 177.73 2kkt h PHE 241 N -0.80 0.00 0.00 -3.82 0.04 -0.59 -3.41 116.94 108.36 2kkt h PHE 241 Ca -0.01 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.72 2kkt h PHE 241 Cb 0.60 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.75 2kkt h PHE 241 CO 0.13 0.83 -1.85 1.47 -0.60 0.00 0.00 178.31 178.29 2kkt n LEU 242 N -4.64 0.00 0.00 1.54 -0.00 0.14 -5.08 117.00 108.97 2kkt n LEU 242 Ca -0.08 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.93 2kkt n LEU 242 Cb 0.40 0.05 0.00 0.00 -0.00 0.00 0.00 43.42 43.87 2kkt n LEU 242 CO 0.28 0.05 0.00 0.61 -0.00 0.00 0.00 177.39 178.33 2kkt n GLY 243 N 1.56 4.11 0.15 1.47 0.00 0.03 -4.86 105.19 107.66 2kkt n GLY 243 Ca -0.06 -1.49 0.11 0.00 0.00 0.00 0.00 46.02 44.58 2kkt n GLY 243 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2kkt n PRO 244 N -1.58 0.16 -0.96 1.61 -0.02 -1.21 -2.04 135.00 130.96 2kkt n PRO 244 Ca 0.00 0.57 -0.20 0.00 -2.02 0.00 0.00 63.50 61.85 2kkt n PRO 244 Cb 0.00 -1.93 0.10 0.00 -0.02 0.00 0.00 33.50 31.65 2kkt n PRO 244 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2kkt n SER 245 N -2.24 4.82 -1.68 2.55 2.88 -1.26 -4.63 113.62 114.06 2kkt n SER 245 Ca -0.00 -3.24 -0.04 0.00 -1.33 0.00 0.00 58.87 54.25 2kkt n SER 245 Cb 0.09 -0.85 -0.06 0.00 -0.75 0.00 0.00 64.21 62.65 2kkt n SER 245 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2kkt n ALA 246 N -0.52 4.83 -3.63 -1.46 0.00 -0.87 -4.56 120.51 114.30 2kkt n ALA 246 Ca 0.44 -0.64 -0.10 0.00 0.00 0.00 0.00 53.44 53.13 2kkt n ALA 246 Cb 1.08 -1.47 -0.07 0.00 0.00 0.00 0.00 19.45 18.99 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 0.36 0.00 0.33 0.00 0.11 -1.26 -5.02 120.40 114.92 2kkt s VAL 247 Ca 0.24 0.00 -0.29 0.00 -2.93 0.00 0.00 61.98 59.00 2kkt s VAL 247 Cb 0.11 -1.00 -0.11 0.00 -1.53 0.00 0.00 36.38 33.86 2kkt s VAL 247 CO 0.00 0.00 1.43 -0.76 -3.33 0.00 0.00 175.10 172.44 2kkt s LEU 248 N 0.19 4.37 0.00 2.54 1.43 -1.26 -5.15 118.68 120.79 2kkt s LEU 248 Ca 0.02 2.86 0.22 0.00 -1.03 0.00 0.00 54.13 56.21 2kkt s LEU 248 Cb -0.05 -3.65 0.17 0.00 0.03 0.00 0.00 46.19 42.69 2kkt s LEU 248 CO -0.04 -0.74 1.19 -0.81 0.23 0.00 0.00 176.35 176.18