#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 -0.73 0.00 0.54 3.07 -2.04 0.22 114.58 115.64 2kkt h GLU 199 Ca 0.00 0.05 -0.09 0.00 -0.50 0.00 0.00 59.36 58.81 2kkt h GLU 199 Cb 0.00 0.17 -0.01 0.00 -0.84 0.00 0.00 28.75 28.06 2kkt h GLU 199 CO 0.00 -0.48 -0.45 1.05 -1.40 0.00 0.00 179.01 177.72 2kkt h GLU 200 N -0.75 0.00 -0.28 2.33 9.09 -2.04 -1.88 114.58 121.04 2kkt h GLU 200 Ca -0.05 0.00 -0.01 0.00 0.05 0.00 0.00 59.36 59.35 2kkt h GLU 200 Cb 0.62 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.71 2kkt h GLU 200 CO 0.04 0.45 0.13 1.25 0.05 0.00 0.00 179.01 180.93 2kkt h LEU 201 N 0.00 0.37 -1.01 3.06 6.46 -1.93 0.47 115.31 122.72 2kkt h LEU 201 Ca -0.00 -0.13 0.04 0.00 -0.12 0.00 0.00 57.88 57.66 2kkt h LEU 201 Cb 1.26 -0.10 -0.06 0.00 -0.73 0.00 0.00 40.66 41.04 2kkt h LEU 201 CO 0.06 0.40 0.66 -0.09 -0.62 0.00 0.00 178.44 178.85 2kkt h ARG 202 N 0.32 1.24 0.00 1.25 2.43 -0.41 -0.96 114.38 118.25 2kkt h ARG 202 Ca 0.10 -0.07 -0.12 0.00 -0.81 0.00 0.00 59.98 59.07 2kkt h ARG 202 Cb 0.13 -0.28 -0.02 0.00 -0.42 0.00 0.00 29.97 29.39 2kkt h ARG 202 CO -0.01 0.82 -0.56 0.77 -1.51 0.00 0.00 179.97 179.48 2kkt h SER 203 N 1.28 0.00 0.78 -3.80 0.02 -1.00 -3.30 113.55 107.53 2kkt h SER 203 Ca 0.40 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 61.31 2kkt h SER 203 Cb -0.01 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.54 2kkt h SER 203 CO -0.12 0.56 -0.37 0.25 -1.14 0.00 0.00 176.83 176.00 2kkt h LEU 204 N 0.00 -0.89 -0.70 5.07 6.46 0.12 -3.11 115.31 122.27 2kkt h LEU 204 Ca -0.01 0.02 0.00 0.00 -0.12 0.00 0.00 57.88 57.77 2kkt h LEU 204 Cb 1.14 0.23 0.00 0.00 -0.73 0.00 0.00 40.66 41.30 2kkt h LEU 204 CO 0.07 -0.58 0.08 0.18 -0.62 0.00 0.00 178.44 177.57 2kkt n LEU 205 N -5.51 0.27 0.17 2.25 7.99 -0.68 0.82 117.00 122.32 2kkt n LEU 205 Ca -0.14 0.58 0.06 0.00 -0.01 0.00 0.00 56.01 56.50 2kkt n LEU 205 Cb 0.42 -0.60 0.10 0.00 -0.11 0.00 0.00 43.42 43.23 2kkt n LEU 205 CO 0.36 -0.68 0.61 0.74 -1.51 0.00 0.00 177.39 176.92 2kkt h THR 206 N 0.00 0.54 0.00 -5.08 2.02 -1.68 -3.40 112.91 105.30 2kkt h THR 206 Ca 0.00 -1.73 0.00 0.00 0.77 0.00 0.00 66.41 65.45 2kkt h THR 206 Cb 0.16 2.24 0.00 0.00 -1.74 0.00 0.00 68.15 68.81 2kkt h THR 206 CO 0.00 0.30 -0.14 1.07 0.37 0.00 0.00 175.52 177.13 2kkt n THR 207 N -3.19 0.00 -3.69 3.16 5.66 -0.00 -4.99 114.28 111.23 2kkt n THR 207 Ca 0.03 0.00 -0.37 0.00 -3.05 0.00 0.00 64.05 60.66 2kkt n THR 207 Cb 0.65 -0.11 -0.06 0.00 -1.55 0.00 0.00 70.33 69.25 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 -1.04 3.81 0.00 1.09 -1.52 0.24 -1.61 119.66 120.64 2kkt s GLN 208 Ca 0.00 0.07 0.00 0.00 -1.95 0.00 0.00 55.36 53.48 2kkt s GLN 208 Cb 0.00 -3.27 0.00 0.00 -0.22 0.00 0.00 33.01 29.52 2kkt s GLN 208 CO 0.00 0.61 0.74 0.00 -0.25 0.00 0.00 175.29 176.38 2kkt n GLY 210 N -0.99 0.81 3.66 0.00 0.00 0.17 -4.78 105.19 104.06 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 -3.20 4.45 -0.28 1.61 0.11 -1.26 -3.87 120.40 117.96 2kkt s VAL 211 Ca 0.00 1.74 -0.28 0.00 -2.93 0.00 0.00 61.98 60.51 2kkt s VAL 211 Cb 0.00 -4.17 -0.03 0.00 -1.53 0.00 0.00 36.38 30.65 2kkt s VAL 211 CO 0.00 -0.21 1.97 -0.63 -3.33 0.00 0.00 175.10 172.90 2kkt s ILE 212 N 3.46 3.29 0.35 7.04 1.01 -1.26 -0.40 121.20 134.70 2kkt s ILE 212 Ca 0.50 0.29 0.12 0.00 0.00 0.00 0.00 60.65 61.56 2kkt s ILE 212 Cb -0.18 -3.38 0.34 0.00 0.01 0.00 0.00 42.46 39.25 2kkt s ILE 212 CO 0.12 -0.24 1.78 -1.28 0.00 0.00 0.00 174.94 175.32 2kkt h SER 213 N 13.70 0.61 0.00 3.58 0.87 -1.73 -3.43 113.55 127.16 2kkt h SER 213 Ca -0.37 0.09 0.00 0.00 -1.23 0.00 0.00 61.79 60.28 2kkt h SER 213 Cb 1.20 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 63.15 2kkt h SER 213 CO 1.00 0.17 0.00 1.21 -0.53 0.00 0.00 176.83 178.68 2kkt n GLU 214 N -4.71 0.00 0.00 2.24 4.07 -1.26 -5.04 120.64 115.94 2kkt n GLU 214 Ca 0.24 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.34 2kkt n GLU 214 Cb 0.71 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 32.09 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 -1.84 0.00 0.31 4.31 1.44 -1.26 -4.95 115.22 113.23 2kkt n HIS 215 Ca 0.00 0.00 0.16 0.00 -2.01 0.00 0.00 57.72 55.87 2kkt n HIS 215 Cb 0.00 0.00 0.70 0.00 0.12 0.00 0.00 29.99 30.81 2kkt n HIS 215 CO 0.00 0.00 0.00 1.79 -2.81 0.00 0.00 176.34 175.32 2kkt h THR 216 N 0.00 0.00 0.00 0.61 1.35 -1.98 -3.38 112.91 109.50 2kkt h THR 216 Ca 0.00 -0.25 0.00 0.00 -0.55 0.00 0.00 66.41 65.61 2kkt h THR 216 Cb 0.00 1.08 0.00 0.00 -1.73 0.00 0.00 68.15 67.50 2kkt h THR 216 CO 0.00 0.00 0.00 1.17 -0.25 0.00 0.00 175.52 176.44 2kkt n LYS 217 N -2.68 0.00 -3.58 4.72 4.81 -1.26 -5.16 118.16 115.01 2kkt n LYS 217 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 2kkt n LYS 217 Cb 0.20 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.25 2kkt n LYS 217 CO 0.00 0.00 0.00 0.36 1.17 0.00 0.00 177.40 178.93 2kkt n LYS 218 N 0.00 -0.45 -1.68 1.64 2.85 -1.26 -5.04 118.16 114.22 2kkt n LYS 218 Ca 0.00 0.00 -0.38 0.00 -1.05 0.00 0.00 58.31 56.88 2kkt n LYS 218 Cb 0.00 0.00 0.06 0.00 -0.65 0.00 0.00 35.03 34.44 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 1.09 -2.84 -1.58 2.81 -1.26 -1.98 117.12 113.36 2kkt n MET 219 Ca 0.00 0.42 -0.40 0.00 -1.81 0.00 0.00 57.70 55.91 2kkt n MET 219 Cb 0.00 -2.38 -0.06 0.00 -0.71 0.00 0.00 33.22 30.07 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 1.60 0.00 -1.68 0.00 -2.24 -1.26 0.46 114.28 111.16 2kkt n THR 221 Ca -0.03 -0.25 -0.18 0.00 -2.27 0.00 0.00 64.05 61.32 2kkt n THR 221 Cb 0.48 1.18 0.12 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 -0.34 -0.70 -0.55 -0.78 1.74 -1.26 -4.79 116.66 109.97 2kkt n ARG 222 Ca 0.07 -1.33 -0.28 0.00 -0.77 0.00 0.00 57.85 55.54 2kkt n ARG 222 Cb 0.38 -0.80 0.25 0.00 -1.02 0.00 0.00 32.46 31.27 2kkt n ARG 222 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 2kkt s SER 223 N -3.98 1.04 0.14 0.55 0.01 -1.26 0.45 113.70 110.65 2kkt s SER 223 Ca 0.46 1.57 -0.24 0.00 1.31 0.00 0.00 55.95 59.04 2kkt s SER 223 Cb -0.01 -2.32 -0.01 0.00 0.21 0.00 0.00 66.02 63.88 2kkt s SER 223 CO 0.32 -4.17 1.63 -0.07 0.41 0.00 0.00 173.24 171.36 2kkt h LEU 224 N -2.60 -0.81 -3.17 2.44 3.38 -1.52 -2.17 115.31 110.85 2kkt h LEU 224 Ca -0.61 0.13 -0.30 0.00 0.09 0.00 0.00 57.88 57.19 2kkt h LEU 224 Cb 1.33 0.35 -0.17 0.00 0.09 0.00 0.00 40.66 42.26 2kkt h LEU 224 CO 0.50 -0.31 0.38 -1.14 0.09 0.00 0.00 178.44 177.96 2kkt n ARG 225 N -5.38 1.73 -0.21 1.13 0.63 -1.26 -4.65 116.66 108.66 2kkt n ARG 225 Ca -0.03 -1.72 -0.11 0.00 -0.92 0.00 0.00 57.85 55.08 2kkt n ARG 225 Cb 0.30 -1.67 -0.08 0.00 0.45 0.00 0.00 32.46 31.45 2kkt n ARG 225 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2kkt n PRO 227 N -4.92 0.00 -0.09 0.00 -0.04 -1.26 -4.96 135.00 123.72 2kkt n PRO 227 Ca -0.01 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.46 2kkt n PRO 227 Cb 0.26 0.00 0.02 0.00 -0.04 0.00 0.00 33.50 33.74 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 1.09 -1.75 0.54 -0.06 -1.26 -5.02 117.38 110.92 2kkt n GLN 228 Ca 0.00 -1.17 -0.43 0.00 -2.00 0.00 0.00 57.00 53.40 2kkt n GLN 228 Cb 0.00 -0.79 -0.03 0.00 -4.06 0.00 0.00 30.24 25.37 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 -0.69 1.39 0.94 3.69 3.76 -1.26 -4.93 115.29 118.18 2kkt s HIS 229 Ca 0.04 0.59 -0.15 0.00 -0.15 0.00 0.00 55.06 55.39 2kkt s HIS 229 Cb 0.04 -3.99 0.18 0.00 1.11 0.00 0.00 32.58 29.91 2kkt s HIS 229 CO 0.00 -3.64 1.28 0.95 -0.85 0.00 0.00 174.74 172.48 2kkt s THR 230 N 7.91 1.98 -0.09 1.30 -4.23 -1.26 -4.53 115.64 116.72 2kkt s THR 230 Ca 0.93 0.00 0.28 0.00 -1.18 0.00 0.00 61.69 61.72 2kkt s THR 230 Cb -0.29 -2.97 0.33 0.00 1.34 0.00 0.00 72.50 70.91 2kkt s THR 230 CO 0.34 0.00 1.81 -2.24 -0.54 0.00 0.00 174.62 173.99 2kkt h ASP 231 N -1.55 0.00 -0.42 3.99 2.03 -1.92 -1.35 116.42 117.19 2kkt h ASP 231 Ca -0.45 0.00 -0.10 0.00 -0.73 0.00 0.00 57.03 55.75 2kkt h ASP 231 Cb 1.26 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.75 2kkt h ASP 231 CO 0.45 0.06 -0.14 -0.33 -1.03 0.00 0.00 179.24 178.25 2kkt h GLU 232 N 0.00 0.83 -0.20 4.15 5.08 -1.99 0.66 114.58 123.12 2kkt h GLU 232 Ca -0.00 -0.34 -0.08 0.00 -1.00 0.00 0.00 59.36 57.94 2kkt h GLU 232 Cb 0.76 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.96 2kkt h GLU 232 CO 0.01 0.97 -0.22 1.96 -1.00 0.00 0.00 179.01 180.73 2kkt h GLN 233 N 0.65 0.35 -0.30 2.33 4.20 -1.81 0.11 115.11 120.65 2kkt h GLN 233 Ca 0.10 -0.11 -0.17 0.00 0.06 0.00 0.00 58.65 58.53 2kkt h GLN 233 Cb 0.69 -0.03 -0.00 0.00 0.30 0.00 0.00 27.48 28.44 2kkt h GLN 233 CO 0.05 0.56 -0.46 0.00 -0.67 0.00 0.00 178.83 178.31 2kkt h ARG 234 N 0.32 0.84 0.44 1.46 2.47 -0.62 -3.26 114.38 116.03 2kkt h ARG 234 Ca 0.05 -0.51 -0.02 0.00 -1.26 0.00 0.00 59.98 58.25 2kkt h ARG 234 Cb 0.57 0.05 0.00 0.00 -1.65 0.00 0.00 29.97 28.94 2kkt h ARG 234 CO 0.04 1.14 -0.21 -0.09 0.56 0.00 0.00 179.97 181.41 2kkt h ARG 235 N 0.61 -0.57 -0.85 0.04 2.43 -0.34 -3.24 114.38 112.47 2kkt h ARG 235 Ca 0.03 0.04 0.14 0.00 -0.81 0.00 0.00 59.98 59.38 2kkt h ARG 235 Cb 1.07 0.13 -0.06 0.00 -0.42 0.00 0.00 29.97 30.68 2kkt h ARG 235 CO 0.11 -0.32 0.55 0.00 -1.51 0.00 0.00 179.97 178.79 2kkt h THR 236 N -0.70 0.83 0.02 0.20 1.03 -0.84 -0.50 112.91 112.95 2kkt h THR 236 Ca -0.06 -0.21 -0.24 0.00 -0.01 0.00 0.00 66.41 65.89 2kkt h THR 236 Cb 0.51 0.16 -0.03 0.00 -1.07 0.00 0.00 68.15 67.72 2kkt h THR 236 CO 0.10 0.11 -1.22 1.62 -0.01 0.00 0.00 175.52 176.12 2kkt h VAL 237 N 0.62 1.46 0.02 0.00 3.04 -1.63 -1.58 116.25 118.18 2kkt h VAL 237 Ca 0.42 -3.18 -0.25 0.00 -1.01 0.00 0.00 66.70 62.67 2kkt h VAL 237 Cb 0.73 2.76 0.01 0.00 -2.01 0.00 0.00 31.29 32.78 2kkt h VAL 237 CO -0.18 0.85 -1.03 0.03 -1.01 0.00 0.00 177.57 176.24 2kkt h ARG 238 N 0.01 0.53 -0.41 4.17 3.08 -1.20 0.20 114.38 120.77 2kkt h ARG 238 Ca -0.10 -0.60 -0.01 0.00 0.07 0.00 0.00 59.98 59.34 2kkt h ARG 238 Cb 1.86 0.18 -0.02 0.00 0.08 0.00 0.00 29.97 32.07 2kkt h ARG 238 CO 0.13 1.22 0.19 0.28 -1.07 0.00 0.00 179.97 180.72 2kkt h VAL 239 N 0.28 1.14 0.10 2.04 2.07 -1.18 0.57 116.25 121.27 2kkt h VAL 239 Ca -0.11 -0.41 -0.00 0.00 0.82 0.00 0.00 66.70 66.99 2kkt h VAL 239 Cb 1.68 0.63 0.00 0.00 -1.52 0.00 0.00 31.29 32.08 2kkt h VAL 239 CO 0.19 0.17 -0.05 0.22 0.02 0.00 0.00 177.57 178.12 2kkt h TYR 240 N 0.57 -0.12 0.06 1.57 3.20 -0.83 -3.00 116.97 118.42 2kkt h TYR 240 Ca 0.14 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 62.01 2kkt h TYR 240 Cb 0.07 0.04 0.00 0.00 1.54 0.00 0.00 36.73 38.38 2kkt h TYR 240 CO 0.00 0.37 -0.03 0.74 -1.64 0.00 0.00 178.16 177.61 2kkt h PHE 241 N -0.70 -0.07 -0.02 -3.82 0.04 -0.52 -3.39 116.94 108.45 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 0.54 0.02 0.00 0.00 2.20 0.00 0.00 35.95 38.72 2kkt h PHE 241 CO 0.10 0.53 0.00 1.47 -0.60 0.00 0.00 178.31 179.81 2kkt n LEU 242 N -4.78 1.87 0.00 1.54 -0.00 0.20 -5.08 117.00 110.74 2kkt n LEU 242 Ca -0.08 -1.03 0.00 0.00 -0.00 0.00 0.00 56.01 54.90 2kkt n LEU 242 Cb 0.31 -0.01 0.00 0.00 -0.00 0.00 0.00 43.42 43.73 2kkt n LEU 242 CO 0.27 0.37 0.00 0.61 -0.00 0.00 0.00 177.39 178.64 2kkt n GLY 243 N 0.56 3.36 0.00 1.47 0.00 -0.91 -4.80 105.19 104.88 2kkt n GLY 243 Ca 0.06 -1.84 0.03 0.00 0.00 0.00 0.00 46.02 44.27 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 -1.03 0.02 -0.12 1.61 -0.04 -1.22 -1.68 135.00 132.53 2kkt n PRO 244 Ca 0.00 0.36 0.11 0.00 -0.04 0.00 0.00 63.50 63.93 2kkt n PRO 244 Cb 0.00 -1.50 0.31 0.00 -0.04 0.00 0.00 33.50 32.27 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 -1.45 2.29 -1.37 3.54 7.64 -1.26 -4.41 113.62 118.59 2kkt n SER 245 Ca 0.02 -1.82 0.00 0.00 1.01 0.00 0.00 58.87 58.08 2kkt n SER 245 Cb 0.07 -0.16 0.00 0.00 -1.01 0.00 0.00 64.21 63.11 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 0.74 3.50 -1.28 -0.43 0.00 -0.68 -3.71 120.51 118.65 2kkt n ALA 246 Ca 0.17 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.53 2kkt n ALA 246 Cb 0.43 -1.03 0.22 0.00 0.00 0.00 0.00 19.45 19.07 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 1.24 2.74 -0.72 0.00 0.31 -1.26 -4.75 118.33 115.89 2kkt n VAL 247 Ca 0.00 -2.27 -0.30 0.00 -0.01 0.00 0.00 64.34 61.76 2kkt n VAL 247 Cb 0.48 -0.35 0.20 0.00 -0.91 0.00 0.00 33.84 33.26 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 -3.17 1.90 0.00 7.52 1.43 -1.24 -5.19 118.68 119.93 2kkt s LEU 248 Ca 0.49 1.80 0.17 0.00 -1.03 0.00 0.00 54.13 55.55 2kkt s LEU 248 Cb 0.42 -3.98 1.01 0.00 0.03 0.00 0.00 46.19 43.66 2kkt s LEU 248 CO 0.06 -3.50 1.41 -2.65 0.23 0.00 0.00 176.35 171.90