#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jfz n MET 201 N 0.00 0.00 -1.98 1.61 -0.00 -1.26 -5.07 117.12 110.42 1jfz n MET 201 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 57.70 57.67 1jfz n MET 201 Cb 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 33.22 33.24 1jfz n MET 201 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 175.97 177.60 1jfz n LYS 202 N -0.29 -0.71 0.04 3.17 4.76 -1.26 -5.03 118.16 118.83 1jfz n LYS 202 Ca 0.00 0.19 -0.02 0.00 -2.87 0.00 0.00 58.31 55.60 1jfz n LYS 202 Cb 0.00 -2.63 -0.01 0.00 -1.84 0.00 0.00 35.03 30.55 1jfz n LYS 202 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1jfz h MET 203 N -0.28 -0.15 -1.09 1.97 -0.00 -2.02 -3.35 114.93 110.01 1jfz h MET 203 Ca -0.13 0.01 0.36 0.00 -0.00 0.00 0.00 59.70 59.94 1jfz h MET 203 Cb 1.07 0.03 -0.14 0.00 -0.00 0.00 0.00 31.60 32.56 1jfz h MET 203 CO 0.10 -0.10 0.64 -0.07 -0.00 0.00 0.00 176.91 177.48 1jfz h LEU 204 N -0.66 0.41 0.00 -0.10 -0.00 -1.96 -3.44 115.31 109.57 1jfz h LEU 204 Ca -0.02 0.18 -0.00 0.00 -0.00 0.00 0.00 57.88 58.04 1jfz h LEU 204 Cb 0.12 0.15 -0.00 0.00 -0.00 0.00 0.00 40.66 40.93 1jfz h LEU 204 CO 0.03 -0.18 0.00 1.21 -0.00 0.00 0.00 178.44 179.50 1jfz n GLU 205 N -4.96 0.01 0.00 1.13 0.00 -1.26 -4.92 120.64 110.64 1jfz n GLU 205 Ca 0.34 -0.02 0.00 0.00 0.00 0.00 0.00 57.16 57.48 1jfz n GLU 205 Cb 1.14 0.02 0.00 0.00 0.00 0.00 0.00 31.44 32.60 1jfz n GLU 205 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.13 178.07 1jfz n GLN 206 N -0.00 0.00 0.12 5.31 7.27 -1.26 -4.66 117.38 124.15 1jfz n GLN 206 Ca -0.00 0.00 -0.00 0.00 0.07 0.00 0.00 57.00 57.07 1jfz n GLN 206 Cb 0.00 0.00 0.28 0.00 2.41 0.00 0.00 30.24 32.94 1jfz n GLN 206 CO 0.00 0.00 0.00 1.25 0.07 0.00 0.00 177.06 178.38 1jfz h LEU 207 N 0.00 0.17 -0.55 1.69 5.85 -1.92 -2.93 115.31 117.61 1jfz h LEU 207 Ca 0.00 -0.06 -0.04 0.00 0.84 0.00 0.00 57.88 58.62 1jfz h LEU 207 Cb 0.00 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 40.96 1jfz h LEU 207 CO 0.00 0.53 0.18 -0.33 -0.34 0.00 0.00 178.44 178.48 1jfz h GLU 208 N 0.14 0.85 0.00 1.25 5.08 -1.95 -0.69 114.58 119.26 1jfz h GLU 208 Ca 0.02 -0.18 -0.03 0.00 -1.00 0.00 0.00 59.36 58.17 1jfz h GLU 208 Cb 0.72 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.84 1jfz h GLU 208 CO 0.05 0.77 -0.12 -0.22 -1.00 0.00 0.00 179.01 178.49 1jfz h LYS 209 N 0.76 0.00 0.19 2.33 3.64 -1.79 0.34 116.57 122.04 1jfz h LYS 209 Ca 0.18 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.55 1jfz h LYS 209 Cb 0.27 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.09 1jfz h LYS 209 CO -0.01 0.12 -0.09 0.87 -2.27 0.00 0.00 179.45 178.07 1jfz h LYS 210 N 0.00 -0.25 0.00 1.90 1.57 -1.33 -3.26 116.57 115.21 1jfz h LYS 210 Ca -0.00 0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.78 1jfz h LYS 210 Cb 0.68 0.06 -0.00 0.00 0.08 0.00 0.00 32.23 33.04 1jfz h LYS 210 CO 0.02 0.16 -0.09 -0.07 -0.57 0.00 0.00 179.45 178.89 1jfz h LEU 211 N -0.79 0.00 0.57 2.94 3.38 -0.70 -3.46 115.31 117.24 1jfz h LEU 211 Ca -0.03 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.83 1jfz h LEU 211 Cb 0.52 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.25 1jfz h LEU 211 CO 0.04 0.09 -0.12 0.61 0.09 0.00 0.00 178.44 179.15 1jfz n GLY 212 N -0.91 0.41 2.87 0.83 0.00 0.11 -4.98 105.19 103.53 1jfz n GLY 212 Ca -0.02 -0.72 -0.14 0.00 0.00 0.00 0.00 46.02 45.13 1jfz n GLY 212 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1jfz s TYR 213 N -2.24 -0.12 -0.20 1.61 5.04 -0.75 -5.02 117.35 115.66 1jfz s TYR 213 Ca 0.00 0.42 -0.12 0.00 -2.44 0.00 0.00 57.07 54.93 1jfz s TYR 213 Cb 0.00 -0.15 -0.05 0.00 0.35 0.00 0.00 41.96 42.11 1jfz s TYR 213 CO 0.00 -0.17 0.23 0.99 -1.34 0.00 0.00 175.55 175.26 1jfz s THR 214 N 1.33 5.33 0.44 4.34 2.01 -1.26 -4.58 115.64 123.25 1jfz s THR 214 Ca -0.07 0.36 -0.24 0.00 0.31 0.00 0.00 61.69 62.05 1jfz s THR 214 Cb -0.12 -3.56 -0.08 0.00 0.01 0.00 0.00 72.50 68.75 1jfz s THR 214 CO -0.05 0.36 1.18 -0.36 -0.69 0.00 0.00 174.62 175.06 1jfz s PHE 215 N 0.78 2.93 0.05 4.92 0.40 -1.26 -4.95 117.98 120.84 1jfz s PHE 215 Ca 0.12 1.53 -0.10 0.00 -0.60 0.00 0.00 56.93 57.88 1jfz s PHE 215 Cb -0.13 -3.41 -0.32 0.00 0.51 0.00 0.00 43.02 39.67 1jfz s PHE 215 CO 0.03 -1.51 1.05 0.87 0.70 0.00 0.00 175.22 176.36 1jfz h LYS 216 N 2.28 0.40 -4.85 0.44 1.79 -1.98 -3.42 116.57 111.23 1jfz h LYS 216 Ca -0.49 -0.68 -0.67 0.00 -2.18 0.00 0.00 60.65 56.62 1jfz h LYS 216 Cb 1.24 0.25 -0.35 0.00 -1.58 0.00 0.00 32.23 31.80 1jfz h LYS 216 CO 0.61 1.32 -0.77 0.34 -1.08 0.00 0.00 179.45 179.87 1jfz s ASP 217 N -7.35 4.50 0.31 0.86 2.15 -1.26 -5.00 116.67 110.89 1jfz s ASP 217 Ca -0.07 -1.29 0.01 0.00 0.43 0.00 0.00 52.55 51.63 1jfz s ASP 217 Cb 0.06 -1.60 0.50 0.00 -0.30 0.00 0.00 42.92 41.58 1jfz s ASP 217 CO 0.91 -0.20 1.90 0.11 -0.17 0.00 0.00 175.17 177.72 1jfz h LYS 218 N 7.86 0.81 0.00 4.34 6.56 -2.01 -2.46 116.57 131.67 1jfz h LYS 218 Ca -0.22 -0.12 0.00 0.00 -1.06 0.00 0.00 60.65 59.25 1jfz h LYS 218 Cb 1.06 -0.14 0.00 0.00 -0.57 0.00 0.00 32.23 32.57 1jfz h LYS 218 CO 0.50 0.66 0.00 -1.13 -2.06 0.00 0.00 179.45 177.42 1jfz n SER 219 N -4.33 0.00 0.10 0.86 3.41 -1.26 0.00 113.62 112.40 1jfz n SER 219 Ca 0.05 -0.04 -0.21 0.00 -0.26 0.00 0.00 58.87 58.40 1jfz n SER 219 Cb 0.16 -0.25 -0.15 0.00 -0.26 0.00 0.00 64.21 63.71 1jfz n SER 219 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1jfz h LEU 220 N 0.00 0.62 -0.08 1.04 3.38 -1.85 -1.49 115.31 116.93 1jfz h LEU 220 Ca 0.00 -0.78 -0.21 0.00 0.09 0.00 0.00 57.88 56.97 1jfz h LEU 220 Cb 0.14 -0.20 0.01 0.00 0.09 0.00 0.00 40.66 40.70 1jfz h LEU 220 CO 0.00 1.64 -0.79 0.25 0.09 0.00 0.00 178.44 179.63 1jfz h LEU 221 N 0.11 0.83 -0.11 1.67 6.46 -1.36 -3.00 115.31 119.91 1jfz h LEU 221 Ca -0.27 -0.68 0.04 0.00 -0.12 0.00 0.00 57.88 56.85 1jfz h LEU 221 Cb 2.09 -0.25 -0.05 0.00 -0.73 0.00 0.00 40.66 41.72 1jfz h LEU 221 CO 0.21 1.39 -0.18 -0.33 -0.62 0.00 0.00 178.44 178.90 1jfz h GLU 222 N 0.34 -0.23 -0.81 1.25 5.08 -0.50 -2.69 114.58 117.02 1jfz h GLU 222 Ca -0.08 0.02 0.15 0.00 -1.00 0.00 0.00 59.36 58.45 1jfz h GLU 222 Cb 1.44 0.05 -0.10 0.00 0.50 0.00 0.00 28.75 30.65 1jfz h GLU 222 CO 0.16 -0.16 0.38 -0.22 -1.00 0.00 0.00 179.01 178.17 1jfz h LYS 223 N -0.24 0.52 -0.73 2.33 3.64 -1.29 -2.03 116.57 118.77 1jfz h LYS 223 Ca 0.09 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.42 1jfz h LYS 223 Cb 0.37 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 32.04 1jfz h LYS 223 CO -0.25 0.34 0.36 0.00 -2.27 0.00 0.00 179.45 177.64 1jfz h ALA 224 N 1.56 0.94 -0.27 5.00 0.00 -1.33 -1.87 119.26 123.28 1jfz h ALA 224 Ca 0.45 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.21 1jfz h ALA 224 Cb 0.66 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1jfz h ALA 224 CO -0.39 0.49 0.00 1.28 0.00 0.00 0.00 179.25 180.64 1jfz n LEU 225 N -4.43 2.21 -4.28 0.00 4.77 -0.79 -4.42 117.00 110.07 1jfz n LEU 225 Ca 0.06 -1.11 -0.34 0.00 -0.03 0.00 0.00 56.01 54.58 1jfz n LEU 225 Cb 0.12 -0.37 -0.14 0.00 -2.33 0.00 0.00 43.42 40.70 1jfz n LEU 225 CO 0.39 0.41 -0.42 -0.89 -1.33 0.00 0.00 177.39 175.54 1jfz s THR 226 N -1.65 3.07 -0.02 -5.08 2.01 -1.01 0.11 115.64 113.07 1jfz s THR 226 Ca 0.21 -0.60 -0.07 0.00 0.31 0.00 0.00 61.69 61.54 1jfz s THR 226 Cb 0.13 -2.37 -0.05 0.00 0.01 0.00 0.00 72.50 70.23 1jfz s THR 226 CO 0.11 0.46 0.25 -2.28 -0.69 0.00 0.00 174.62 172.47 1jfz s HIS 227 N 1.30 3.60 0.21 4.92 2.46 -1.03 0.18 115.29 126.93 1jfz s HIS 227 Ca 0.04 0.60 0.02 0.00 0.47 0.00 0.00 55.06 56.19 1jfz s HIS 227 Cb -0.14 -2.01 0.54 0.00 -0.13 0.00 0.00 32.58 30.84 1jfz s HIS 227 CO -0.04 0.64 1.06 0.28 -2.47 0.00 0.00 174.74 174.21 1jfz n VAL 228 N 1.36 -0.28 0.30 0.89 0.31 -1.26 0.49 118.33 120.15 1jfz n VAL 228 Ca -0.13 1.49 0.20 0.00 -0.01 0.00 0.00 64.34 65.89 1jfz n VAL 228 Cb 0.53 -2.18 1.08 0.00 -0.91 0.00 0.00 33.84 32.36 1jfz n VAL 228 CO 0.00 0.00 0.00 0.77 -1.32 0.00 0.00 176.83 176.28 1jfz h SER 229 N 0.00 0.00 0.00 4.52 4.64 -1.94 -2.07 113.55 118.70 1jfz h SER 229 Ca 0.42 0.00 -0.31 0.00 -0.47 0.00 0.00 61.79 61.43 1jfz h SER 229 Cb 0.88 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.92 1jfz h SER 229 CO -0.63 0.00 -2.17 0.00 -0.87 0.00 0.00 176.83 173.16 1jfz n TYR 230 N -2.91 0.00 -3.55 4.77 4.19 0.18 -4.45 117.16 115.39 1jfz n TYR 230 Ca -0.03 0.00 -0.14 0.00 3.31 0.00 0.00 57.90 61.05 1jfz n TYR 230 Cb 0.07 -0.79 -0.12 0.00 0.49 0.00 0.00 39.34 39.00 1jfz n TYR 230 CO 0.00 0.00 0.00 0.45 0.91 0.00 0.00 176.86 178.22 1jfz s SER 231 N -5.96 0.60 0.43 2.98 0.15 -0.78 -4.99 113.70 106.12 1jfz s SER 231 Ca -0.27 0.30 0.23 0.00 0.70 0.00 0.00 55.95 56.92 1jfz s SER 231 Cb 0.07 0.73 0.48 0.00 -1.71 0.00 0.00 66.02 65.59 1jfz s SER 231 CO 0.48 -0.28 1.65 0.11 1.20 0.00 0.00 173.24 176.40 1jfz h LYS 232 N 8.27 0.00 0.30 5.44 1.57 -1.86 -3.27 116.57 127.02 1jfz h LYS 232 Ca -0.16 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.60 1jfz h LYS 232 Cb 1.13 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.45 1jfz h LYS 232 CO 0.20 0.10 -0.14 0.87 -0.57 0.00 0.00 179.45 179.91 1jfz h LYS 233 N 0.00 -0.39 -2.95 3.15 1.57 -1.94 -3.43 116.57 112.59 1jfz h LYS 233 Ca -0.00 0.03 -0.54 0.00 -1.87 0.00 0.00 60.65 58.27 1jfz h LYS 233 Cb 0.98 0.09 -0.40 0.00 0.08 0.00 0.00 32.23 32.98 1jfz h LYS 233 CO 0.01 -0.08 -0.77 -1.21 -0.57 0.00 0.00 179.45 176.83 1jfz s GLU 234 N -3.59 0.29 0.40 3.15 0.41 -1.26 -5.13 118.70 112.98 1jfz s GLU 234 Ca -0.11 -0.63 0.08 0.00 -0.41 0.00 0.00 54.97 53.89 1jfz s GLU 234 Cb 0.01 -1.34 -0.05 0.00 -1.78 0.00 0.00 34.13 30.97 1jfz s GLU 234 CO 0.39 -1.01 0.20 -3.38 -0.49 0.00 0.00 175.26 170.97 1jfz s HIS 235 N 2.00 2.63 -2.00 1.61 -3.43 -1.23 -4.72 115.29 110.15 1jfz s HIS 235 Ca 0.09 -0.55 0.02 0.00 -0.80 0.00 0.00 55.06 53.83 1jfz s HIS 235 Cb -0.16 -1.94 0.13 0.00 -1.43 0.00 0.00 32.58 29.18 1jfz s HIS 235 CO -0.34 0.17 0.64 2.48 -2.00 0.00 0.00 174.74 175.69 1jfz n TYR 236 N -1.26 0.00 0.02 0.38 0.18 0.13 -4.35 117.16 112.25 1jfz n TYR 236 Ca -0.01 0.00 -0.10 0.00 1.88 0.00 0.00 57.90 59.67 1jfz n TYR 236 Cb 0.64 0.00 -0.04 0.00 -0.38 0.00 0.00 39.34 39.55 1jfz n TYR 236 CO 0.00 0.00 0.00 1.49 -2.08 0.00 0.00 176.86 176.27 1jfz h GLU 237 N 0.00 -0.10 -0.15 -3.48 4.81 -1.87 -1.54 114.58 112.25 1jfz h GLU 237 Ca 0.00 0.01 -0.17 0.00 -0.13 0.00 0.00 59.36 59.07 1jfz h GLU 237 Cb 0.00 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.40 1jfz h GLU 237 CO 0.00 -0.07 -0.61 1.15 -0.73 0.00 0.00 179.01 178.76 1jfz h THR 238 N -0.10 1.34 -0.13 0.32 2.02 -1.99 -2.77 112.91 111.59 1jfz h THR 238 Ca 0.06 -1.90 -0.01 0.00 0.77 0.00 0.00 66.41 65.33 1jfz h THR 238 Cb 0.19 1.88 -0.01 0.00 -1.74 0.00 0.00 68.15 68.47 1jfz h THR 238 CO -0.14 0.58 0.04 -0.07 0.37 0.00 0.00 175.52 176.30 1jfz h LEU 239 N 0.38 0.19 -1.35 2.58 3.38 -1.81 -2.29 115.31 116.39 1jfz h LEU 239 Ca -0.01 -0.21 0.10 0.00 0.09 0.00 0.00 57.88 57.85 1jfz h LEU 239 Cb 1.16 -0.05 -0.06 0.00 0.09 0.00 0.00 40.66 41.80 1jfz h LEU 239 CO 0.11 0.35 0.52 1.05 0.09 0.00 0.00 178.44 180.57 1jfz h GLU 240 N 0.02 0.69 0.10 1.13 4.11 -1.29 1.27 114.58 120.62 1jfz h GLU 240 Ca 0.04 -0.04 0.02 0.00 0.07 0.00 0.00 59.36 59.44 1jfz h GLU 240 Cb 0.23 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.30 1jfz h GLU 240 CO -0.00 0.46 -0.20 0.35 0.07 0.00 0.00 179.01 179.69 1jfz h PHE 241 N 0.71 -0.52 0.29 2.06 3.04 -1.21 0.29 116.94 121.61 1jfz h PHE 241 Ca 0.38 0.01 -0.01 0.00 3.98 0.00 0.00 57.97 62.33 1jfz h PHE 241 Cb 0.49 0.22 -0.01 0.00 2.56 0.00 0.00 35.95 39.21 1jfz h PHE 241 CO -0.00 -0.29 -0.20 1.25 -2.02 0.00 0.00 178.31 177.05 1jfz h LEU 242 N -0.37 -0.51 -1.90 0.59 5.85 -0.34 -3.02 115.31 115.62 1jfz h LEU 242 Ca 0.03 0.04 0.22 0.00 0.84 0.00 0.00 57.88 59.01 1jfz h LEU 242 Cb 0.40 0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.55 1jfz h LEU 242 CO -0.11 -0.31 0.58 1.23 -0.34 0.00 0.00 178.44 179.48 1jfz h GLY 243 N -0.48 0.18 0.60 3.75 0.00 0.18 -1.13 103.07 106.17 1jfz h GLY 243 Ca -0.02 -0.04 -0.00 0.00 0.00 0.00 0.00 47.33 47.26 1jfz h GLY 243 CO 0.01 -0.00 -0.38 -1.80 0.00 0.00 0.00 176.54 174.37 1jfz h ASP 244 N 0.08 -1.03 -0.60 0.19 1.82 -0.28 -1.25 116.42 115.35 1jfz h ASP 244 Ca 0.40 0.09 -0.07 0.00 -0.39 0.00 0.00 57.03 57.06 1jfz h ASP 244 Cb 1.44 0.35 -0.03 0.00 0.68 0.00 0.00 39.33 41.77 1jfz h ASP 244 CO -0.04 -0.53 0.13 0.00 -1.61 0.00 0.00 179.24 177.19 1jfz h ALA 245 N -0.36 1.04 0.15 -0.78 0.00 -1.31 -0.92 119.26 117.07 1jfz h ALA 245 Ca -0.03 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 1jfz h ALA 245 Cb 0.70 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 1jfz h ALA 245 CO -0.07 0.62 -0.10 1.25 0.00 0.00 0.00 179.25 180.96 1jfz h LEU 246 N 0.95 -0.25 -1.76 0.00 6.46 -1.31 -2.81 115.31 116.60 1jfz h LEU 246 Ca 0.20 0.01 -0.03 0.00 -0.12 0.00 0.00 57.88 57.94 1jfz h LEU 246 Cb 0.38 0.07 -0.00 0.00 -0.73 0.00 0.00 40.66 40.37 1jfz h LEU 246 CO 0.01 -0.14 -0.13 0.58 -0.62 0.00 0.00 178.44 178.13 1jfz h VAL 247 N -0.23 1.05 -0.39 1.05 2.07 -1.25 -2.01 116.25 116.54 1jfz h VAL 247 Ca -0.02 -0.47 0.06 0.00 0.82 0.00 0.00 66.70 67.10 1jfz h VAL 247 Cb 0.19 1.25 -0.06 0.00 -1.52 0.00 0.00 31.29 31.15 1jfz h VAL 247 CO 0.02 0.13 0.05 -1.13 0.02 0.00 0.00 177.57 176.66 1jfz h ASN 248 N 0.00 -0.05 -0.37 0.57 -1.24 -1.14 -1.69 115.58 111.67 1jfz h ASN 248 Ca -0.00 0.07 -0.14 0.00 0.71 0.00 0.00 56.30 56.94 1jfz h ASN 248 Cb 0.24 0.11 -0.01 0.00 0.73 0.00 0.00 38.32 39.40 1jfz h ASN 248 CO 0.02 0.01 -0.29 0.15 -1.29 0.00 0.00 177.43 176.03 1jfz h PHE 249 N 0.17 1.04 -0.21 0.67 3.57 -1.16 -1.84 116.94 119.17 1jfz h PHE 249 Ca 0.19 -0.27 0.03 0.00 3.53 0.00 0.00 57.97 61.45 1jfz h PHE 249 Cb 0.24 -0.23 -0.03 0.00 2.79 0.00 0.00 35.95 38.72 1jfz h PHE 249 CO -0.22 1.06 0.02 0.74 -2.23 0.00 0.00 178.31 177.69 1jfz h PHE 250 N 0.75 0.04 0.17 0.41 0.04 -1.00 -1.50 116.94 115.84 1jfz h PHE 250 Ca 0.09 0.01 -0.01 0.00 2.80 0.00 0.00 57.97 60.86 1jfz h PHE 250 Cb 0.85 0.01 0.00 0.00 2.20 0.00 0.00 35.95 39.02 1jfz h PHE 250 CO 0.05 0.00 -0.08 0.82 -0.60 0.00 0.00 178.31 178.50 1jfz h ILE 251 N 0.10 0.92 -1.01 -0.55 5.03 -1.22 -2.90 117.51 117.89 1jfz h ILE 251 Ca 0.10 -0.38 0.10 0.00 -0.12 0.00 0.00 64.86 64.55 1jfz h ILE 251 Cb 0.10 1.15 -0.08 0.00 -3.03 0.00 0.00 36.82 34.97 1jfz h ILE 251 CO -0.14 0.09 0.64 0.58 -0.68 0.00 0.00 178.15 178.64 1jfz h VAL 252 N -0.41 1.00 -0.95 1.67 2.07 -1.29 0.07 116.25 118.41 1jfz h VAL 252 Ca -0.02 -0.37 0.01 0.00 0.82 0.00 0.00 66.70 67.13 1jfz h VAL 252 Cb 0.32 -0.18 -0.05 0.00 -1.52 0.00 0.00 31.29 29.86 1jfz h VAL 252 CO 0.04 0.20 0.61 -0.78 0.02 0.00 0.00 177.57 177.66 1jfz h ASP 253 N 1.08 1.10 -0.13 0.57 3.58 -1.14 -0.09 116.42 121.40 1jfz h ASP 253 Ca 0.47 -0.04 -0.03 0.00 0.42 0.00 0.00 57.03 57.85 1jfz h ASP 253 Cb 0.34 -0.27 -0.00 0.00 1.72 0.00 0.00 39.33 41.11 1jfz h ASP 253 CO -0.22 0.81 -0.03 -0.07 -2.88 0.00 0.00 179.24 176.84 1jfz h LEU 254 N 1.29 0.25 -0.38 2.28 4.07 -1.06 -2.83 115.31 118.93 1jfz h LEU 254 Ca 0.34 -0.37 0.07 0.00 0.08 0.00 0.00 57.88 58.00 1jfz h LEU 254 Cb -0.13 -0.07 -0.06 0.00 1.08 0.00 0.00 40.66 41.49 1jfz h LEU 254 CO -0.07 0.56 0.02 0.25 -1.08 0.00 0.00 178.44 178.12 1jfz h LEU 255 N -0.07 -0.11 -0.53 1.67 6.46 -0.62 0.20 115.31 122.31 1jfz h LEU 255 Ca 0.03 0.08 -0.01 0.00 -0.12 0.00 0.00 57.88 57.86 1jfz h LEU 255 Cb 0.46 0.13 -0.03 0.00 -0.73 0.00 0.00 40.66 40.50 1jfz h LEU 255 CO 0.01 -0.02 0.30 0.58 -0.62 0.00 0.00 178.44 178.69 1jfz h VAL 256 N 0.13 1.17 0.00 1.05 2.07 -1.04 -0.52 116.25 119.11 1jfz h VAL 256 Ca 0.18 -0.43 -0.19 0.00 0.82 0.00 0.00 66.70 67.08 1jfz h VAL 256 Cb 0.25 0.50 -0.03 0.00 -1.52 0.00 0.00 31.29 30.49 1jfz h VAL 256 CO -0.29 0.19 -1.00 1.56 0.02 0.00 0.00 177.57 178.04 1jfz h GLN 257 N 0.71 0.00 0.00 1.57 4.20 -1.21 -3.39 115.11 116.98 1jfz h GLN 257 Ca 0.19 0.00 -0.28 0.00 0.06 0.00 0.00 58.65 58.62 1jfz h GLN 257 Cb 0.03 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 27.76 1jfz h GLN 257 CO -0.03 0.72 -2.27 0.66 -0.67 0.00 0.00 178.83 177.24 1jfz n TYR 258 N -3.23 0.00 -1.75 2.96 4.01 0.66 -4.94 117.16 114.87 1jfz n TYR 258 Ca -0.03 0.00 -0.38 0.00 -0.16 0.00 0.00 57.90 57.33 1jfz n TYR 258 Cb 0.89 -0.87 0.05 0.00 -0.31 0.00 0.00 39.34 39.10 1jfz n TYR 258 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1jfz n SER 259 N -2.62 2.68 -0.11 7.72 2.88 -0.21 -4.90 113.62 119.06 1jfz n SER 259 Ca -0.26 0.96 -0.14 0.00 -1.33 0.00 0.00 58.87 58.11 1jfz n SER 259 Cb 1.01 -1.58 -0.03 0.00 -0.75 0.00 0.00 64.21 62.87 1jfz n SER 259 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 1jfz h PRO 260 N 1.35 0.92 -5.10 -1.46 0.13 -1.92 -3.41 132.00 122.51 1jfz h PRO 260 Ca -0.51 -0.51 -0.65 0.00 -0.87 0.00 0.00 66.00 63.46 1jfz h PRO 260 Cb 1.31 0.03 -0.16 0.00 0.13 0.00 0.00 31.00 32.31 1jfz h PRO 260 CO 0.57 1.16 -0.19 -0.80 -0.23 0.00 0.00 178.00 178.51 1jfz s ASN 261 N -6.88 6.25 -0.06 1.44 -0.87 -1.26 -4.95 114.94 108.60 1jfz s ASN 261 Ca -0.11 -0.03 0.10 0.00 -1.57 0.00 0.00 52.86 51.25 1jfz s ASN 261 Cb 0.11 -2.22 0.40 0.00 -0.02 0.00 0.00 41.25 39.51 1jfz s ASN 261 CO 0.88 -0.35 1.23 0.29 -2.57 0.00 0.00 177.10 176.58 1jfz n LYS 262 N 5.49 2.51 -3.11 -0.60 4.01 -1.26 -4.56 118.16 120.65 1jfz n LYS 262 Ca -0.07 -1.56 -0.35 0.00 -0.51 0.00 0.00 58.31 55.81 1jfz n LYS 262 Cb 0.49 -1.62 -0.06 0.00 -0.51 0.00 0.00 35.03 33.34 1jfz n LYS 262 CO 0.00 0.00 0.00 1.03 -1.11 0.00 0.00 177.40 177.32 1jfz s ARG 263 N -1.71 4.21 0.50 1.97 1.81 -1.26 -4.95 118.95 119.51 1jfz s ARG 263 Ca 0.28 0.83 0.17 0.00 -1.72 0.00 0.00 55.73 55.29 1jfz s ARG 263 Cb 0.18 -2.80 1.21 0.00 -0.45 0.00 0.00 34.95 33.09 1jfz s ARG 263 CO 0.13 0.35 2.09 1.49 -0.68 0.00 0.00 175.30 178.68 1jfz h GLU 264 N 3.22 0.00 -0.17 3.54 4.22 -1.99 -1.94 114.58 121.46 1jfz h GLU 264 Ca -0.48 0.00 0.03 0.00 0.08 0.00 0.00 59.36 58.99 1jfz h GLU 264 Cb 1.19 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.41 1jfz h GLU 264 CO 0.65 0.08 -0.01 0.78 -2.18 0.00 0.00 179.01 178.33 1jfz h GLY 265 N 0.27 0.15 1.58 1.92 0.00 -1.97 -2.61 103.07 102.41 1jfz h GLY 265 Ca -0.00 0.03 -0.28 0.00 0.00 0.00 0.00 47.33 47.08 1jfz h GLY 265 CO 0.01 -0.04 -1.28 -2.75 0.00 0.00 0.00 176.54 172.48 1jfz h PHE 266 N 0.04 0.54 -0.67 5.60 3.57 -1.83 -3.34 116.94 120.85 1jfz h PHE 266 Ca 0.08 -0.39 -0.07 0.00 3.53 0.00 0.00 57.97 61.12 1jfz h PHE 266 Cb 0.11 -0.02 -0.03 0.00 2.79 0.00 0.00 35.95 38.80 1jfz h PHE 266 CO -0.17 1.31 0.13 -0.07 -2.23 0.00 0.00 178.31 177.29 1jfz h LEU 267 N 0.08 1.03 0.30 0.59 3.38 -1.32 -3.34 115.31 116.03 1jfz h LEU 267 Ca -0.15 -0.23 -0.01 0.00 0.09 0.00 0.00 57.88 57.58 1jfz h LEU 267 Cb 1.99 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 42.48 1jfz h LEU 267 CO 0.21 1.00 -0.14 0.28 0.09 0.00 0.00 178.44 179.88 1jfz h SER 268 N 1.02 -0.34 -0.05 -0.43 0.02 -1.59 -0.86 113.55 111.32 1jfz h SER 268 Ca 0.21 -0.08 0.01 0.00 -0.84 0.00 0.00 61.79 61.09 1jfz h SER 268 Cb 0.40 0.09 -0.00 0.00 0.14 0.00 0.00 62.40 63.02 1jfz h SER 268 CO 0.01 -0.13 0.04 1.55 -1.14 0.00 0.00 176.83 177.15 1jfz h PRO 269 N -0.54 0.00 -0.17 3.45 0.13 -1.77 -0.62 132.00 132.49 1jfz h PRO 269 Ca -0.04 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.92 1jfz h PRO 269 Cb 0.40 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.53 1jfz h PRO 269 CO 0.07 0.00 -0.55 1.25 -0.23 0.00 0.00 178.00 178.54 1jfz h LEU 270 N 0.00 0.78 -1.19 1.56 5.85 -1.60 -3.25 115.31 117.46 1jfz h LEU 270 Ca 0.02 -0.60 -0.01 0.00 0.84 0.00 0.00 57.88 58.14 1jfz h LEU 270 Cb 0.10 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 40.87 1jfz h LEU 270 CO -0.00 1.24 0.41 0.50 -0.34 0.00 0.00 178.44 180.25 1jfz h LYS 271 N 0.37 0.96 0.00 1.25 3.11 0.30 -1.34 116.57 121.22 1jfz h LYS 271 Ca -0.02 -0.09 -0.03 0.00 -2.81 0.00 0.00 60.65 57.70 1jfz h LYS 271 Cb 1.18 -0.20 -0.00 0.00 -1.00 0.00 0.00 32.23 32.20 1jfz h LYS 271 CO 0.12 0.69 -0.13 0.00 -2.81 0.00 0.00 179.45 177.32 1jfz h ALA 272 N 1.47 1.02 0.16 5.00 0.00 -1.31 -2.73 119.26 122.88 1jfz h ALA 272 Ca 0.25 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1jfz h ALA 272 Cb -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1jfz h ALA 272 CO -0.05 0.16 -0.08 -0.92 0.00 0.00 0.00 179.25 178.37 1jfz h TYR 273 N 0.00 -0.20 0.00 0.00 3.20 -1.31 -3.14 116.97 115.52 1jfz h TYR 273 Ca -0.00 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.86 1jfz h TYR 273 Cb 0.66 0.07 0.00 0.00 1.54 0.00 0.00 36.73 38.99 1jfz h TYR 273 CO 0.00 0.23 0.00 1.28 -1.64 0.00 0.00 178.16 178.03 1jfz n LEU 274 N -4.91 0.00 -0.32 2.82 4.77 -0.77 -1.33 117.00 117.26 1jfz n LEU 274 Ca -0.07 0.37 0.07 0.00 -0.03 0.00 0.00 56.01 56.34 1jfz n LEU 274 Cb 0.26 -0.37 0.11 0.00 -2.33 0.00 0.00 43.42 41.08 1jfz n LEU 274 CO 0.24 -0.33 0.44 2.30 -1.33 0.00 0.00 177.39 178.71 1jfz n ILE 275 N -1.37 1.34 -2.94 -0.08 -6.64 -1.04 -4.82 119.36 103.81 1jfz n ILE 275 Ca 0.01 -1.73 -0.32 0.00 -1.77 0.00 0.00 62.75 58.94 1jfz n ILE 275 Cb 0.03 0.02 -0.06 0.00 -1.44 0.00 0.00 39.64 38.19 1jfz n ILE 275 CO 0.00 0.00 0.00 -0.94 -1.77 0.00 0.00 176.55 173.84 1jfz s SER 276 N -2.39 6.76 0.25 7.28 1.04 -0.44 -4.92 113.70 121.28 1jfz s SER 276 Ca 0.25 1.39 -0.03 0.00 0.48 0.00 0.00 55.95 58.04 1jfz s SER 276 Cb 0.22 -2.42 0.50 0.00 0.10 0.00 0.00 66.02 64.42 1jfz s SER 276 CO 0.00 -0.31 1.73 -0.08 0.98 0.00 0.00 173.24 175.56 1jfz h GLU 277 N 1.88 0.47 0.14 4.02 4.81 -1.92 0.33 114.58 124.31 1jfz h GLU 277 Ca -0.48 -0.03 0.01 0.00 -0.13 0.00 0.00 59.36 58.73 1jfz h GLU 277 Cb 1.18 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 30.42 1jfz h GLU 277 CO 0.64 0.31 -0.40 0.93 -0.73 0.00 0.00 179.01 179.76 1jfz h GLU 278 N 0.48 -0.58 -0.80 1.92 3.07 -1.91 0.25 114.58 117.01 1jfz h GLU 278 Ca 0.44 0.04 -0.04 0.00 -0.50 0.00 0.00 59.36 59.30 1jfz h GLU 278 Cb 0.67 0.13 -0.04 0.00 -0.84 0.00 0.00 28.75 28.68 1jfz h GLU 278 CO -0.41 -0.39 0.35 0.35 -1.40 0.00 0.00 179.01 177.51 1jfz h PHE 279 N -0.60 1.20 -0.83 4.33 3.57 -1.74 -1.39 116.94 121.48 1jfz h PHE 279 Ca -0.01 -0.08 0.08 0.00 3.53 0.00 0.00 57.97 61.49 1jfz h PHE 279 Cb 0.59 -0.36 -0.06 0.00 2.79 0.00 0.00 35.95 38.91 1jfz h PHE 279 CO -0.38 0.89 0.54 0.74 -2.23 0.00 0.00 178.31 177.87 1jfz h PHE 280 N 1.16 0.88 -0.32 0.41 -1.00 0.01 -0.98 116.94 117.10 1jfz h PHE 280 Ca 0.27 0.02 -0.02 0.00 2.81 0.00 0.00 57.97 61.05 1jfz h PHE 280 Cb 0.18 -0.29 -0.01 0.00 3.61 0.00 0.00 35.95 39.44 1jfz h PHE 280 CO 0.02 0.44 0.12 -0.91 -1.61 0.00 0.00 178.31 176.37 1jfz h ASN 281 N 0.84 0.44 -0.16 2.17 2.35 0.58 -0.25 115.58 121.56 1jfz h ASN 281 Ca 0.37 -0.17 0.05 0.00 -0.55 0.00 0.00 56.30 55.99 1jfz h ASN 281 Cb 0.33 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.58 1jfz h ASN 281 CO -0.14 0.49 0.13 0.25 -1.65 0.00 0.00 177.43 176.52 1jfz h LEU 282 N 0.36 0.00 -0.00 1.61 6.46 -0.73 0.37 115.31 123.38 1jfz h LEU 282 Ca 0.10 0.00 -0.25 0.00 -0.12 0.00 0.00 57.88 57.61 1jfz h LEU 282 Cb 0.19 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.13 1jfz h LEU 282 CO -0.01 0.00 -1.12 -0.07 -0.62 0.00 0.00 178.44 176.62 1jfz h LEU 283 N 0.00 0.47 -0.42 2.25 3.38 -0.42 -3.30 115.31 117.27 1jfz h LEU 283 Ca 0.08 -0.45 -0.16 0.00 0.09 0.00 0.00 57.88 57.44 1jfz h LEU 283 Cb 0.35 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 1jfz h LEU 283 CO -0.00 1.30 -0.78 0.00 0.09 0.00 0.00 178.44 179.05 1jfz h ALA 284 N 0.65 0.69 -0.32 1.53 0.00 0.97 -3.11 119.26 119.66 1jfz h ALA 284 Ca -0.11 -0.71 0.09 0.00 0.00 0.00 0.00 54.91 54.18 1jfz h ALA 284 Cb 1.81 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 19.46 1jfz h ALA 284 CO 0.19 0.98 0.24 1.96 0.00 0.00 0.00 179.25 182.62 1jfz h GLN 285 N 0.00 0.00 0.00 0.00 1.08 -0.49 0.64 115.11 116.34 1jfz h GLN 285 Ca -0.01 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.19 1jfz h GLN 285 Cb 1.40 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.83 1jfz h GLN 285 CO 0.10 0.00 0.00 1.63 -0.95 0.00 0.00 178.83 179.61 1jfz n LYS 286 N -4.33 0.30 0.00 1.46 5.02 -1.18 -2.47 118.16 116.97 1jfz n LYS 286 Ca 0.05 0.09 0.01 0.00 -2.02 0.00 0.00 58.31 56.44 1jfz n LYS 286 Cb 0.41 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.93 1jfz n LYS 286 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1jfz n LEU 287 N -1.28 0.76 -3.77 -0.35 4.77 0.22 -4.99 117.00 112.35 1jfz n LEU 287 Ca 0.10 -0.82 -0.29 0.00 -0.03 0.00 0.00 56.01 54.97 1jfz n LEU 287 Cb 0.16 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.27 1jfz n LEU 287 CO 0.15 0.18 0.08 -0.62 -1.33 0.00 0.00 177.39 175.85 1jfz n GLU 288 N -0.31 -5.11 -0.24 3.23 1.02 -0.75 -4.82 120.64 113.66 1jfz n GLU 288 Ca 0.01 0.60 -0.00 0.00 -0.02 0.00 0.00 57.16 57.74 1jfz n GLU 288 Cb 0.04 -5.46 0.11 0.00 -0.02 0.00 0.00 31.44 26.11 1jfz n GLU 288 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1jfz h LEU 289 N -1.85 0.52 -1.17 -4.62 6.46 -1.82 -0.11 115.31 112.70 1jfz h LEU 289 Ca -0.55 0.04 0.34 0.00 -0.12 0.00 0.00 57.88 57.59 1jfz h LEU 289 Cb 1.36 -0.05 -0.13 0.00 -0.73 0.00 0.00 40.66 41.11 1jfz h LEU 289 CO 0.65 0.32 0.66 1.12 -0.62 0.00 0.00 178.44 180.56 1jfz h HIS 290 N 0.65 0.78 -0.88 1.25 2.07 -1.87 0.43 115.15 117.57 1jfz h HIS 290 Ca 0.32 0.03 0.05 0.00 -2.85 0.00 0.00 60.37 57.92 1jfz h HIS 290 Cb 0.26 -0.21 -0.05 0.00 2.57 0.00 0.00 27.41 29.98 1jfz h HIS 290 CO -0.09 -0.13 0.58 -0.22 -3.07 0.00 0.00 177.93 175.00 1jfz h LYS 291 N 0.28 1.03 0.00 5.12 3.64 -1.36 -3.04 116.57 122.25 1jfz h LYS 291 Ca 0.73 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 60.04 1jfz h LYS 291 Cb 1.86 -0.23 0.00 0.00 -0.41 0.00 0.00 32.23 33.44 1jfz h LYS 291 CO -0.50 0.68 -0.83 1.19 -2.27 0.00 0.00 179.45 177.72 1jfz n PHE 292 N -4.46 0.03 -2.29 1.91 3.72 0.11 -4.95 117.46 111.54 1jfz n PHE 292 Ca 0.12 0.01 -0.42 0.00 -0.05 0.00 0.00 57.45 57.11 1jfz n PHE 292 Cb 0.14 -0.16 -0.03 0.00 -0.94 0.00 0.00 39.48 38.50 1jfz n PHE 292 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 1jfz s ILE 293 N -3.03 3.65 -0.85 4.37 1.01 -1.04 -4.88 121.20 120.43 1jfz s ILE 293 Ca 0.08 1.18 -0.17 0.00 0.00 0.00 0.00 60.65 61.75 1jfz s ILE 293 Cb 0.16 -3.76 0.16 0.00 0.01 0.00 0.00 42.46 39.04 1jfz s ILE 293 CO 0.80 0.09 0.94 -0.13 0.00 0.00 0.00 174.94 176.64 1jfz s ARG 294 N 1.09 3.53 -0.01 2.79 0.52 0.30 -4.99 118.95 122.17 1jfz s ARG 294 Ca 0.62 -1.96 0.03 0.00 -0.52 0.00 0.00 55.73 53.89 1jfz s ARG 294 Cb -0.33 -4.64 -0.01 0.00 0.52 0.00 0.00 34.95 30.49 1jfz s ARG 294 CO 0.30 -1.56 -0.10 -1.50 0.02 0.00 0.00 175.30 172.45 1jfz s ILE 295 N 1.74 0.83 0.29 1.52 2.07 -1.26 -2.47 121.20 123.92 1jfz s ILE 295 Ca 0.24 -0.44 -0.04 0.00 -1.41 0.00 0.00 60.65 59.01 1jfz s ILE 295 Cb -0.09 -0.71 -0.05 0.00 0.13 0.00 0.00 42.46 41.74 1jfz s ILE 295 CO -0.07 0.24 0.54 -0.75 -1.91 0.00 0.00 174.94 172.99 1jfz s LYS 296 N -0.14 3.60 2.97 3.50 2.36 -1.26 -4.94 119.74 125.82 1jfz s LYS 296 Ca 0.02 -0.07 0.00 0.00 -2.55 0.00 0.00 55.97 53.37 1jfz s LYS 296 Cb -0.05 -2.67 0.00 0.00 -1.05 0.00 0.00 37.83 34.06 1jfz s LYS 296 CO -0.00 0.22 0.00 0.54 1.55 0.00 0.00 175.35 177.66 1jfz n ARG 297 N -1.02 0.00 -0.01 4.03 5.12 -1.26 -4.62 116.66 118.90 1jfz n ARG 297 Ca -0.02 0.00 0.01 0.00 -1.93 0.00 0.00 57.85 55.91 1jfz n ARG 297 Cb 0.54 0.00 -0.04 0.00 -1.16 0.00 0.00 32.46 31.80 1jfz n ARG 297 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1jfz n GLY 298 N 0.00 -0.22 3.41 -0.13 0.00 -1.26 -4.95 105.19 102.03 1jfz n GLY 298 Ca 0.00 -0.11 -0.43 0.00 0.00 0.00 0.00 46.02 45.49 1jfz n GLY 298 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jfz s LYS 299 N -2.28 2.92 -0.05 1.61 -0.14 -1.26 -4.92 119.74 115.61 1jfz s LYS 299 Ca -0.02 -1.18 -0.01 0.00 -1.36 0.00 0.00 55.97 53.40 1jfz s LYS 299 Cb 0.03 -3.98 -0.00 0.00 -1.68 0.00 0.00 37.83 32.19 1jfz s LYS 299 CO 0.20 -0.86 -0.02 0.97 -0.76 0.00 0.00 175.35 174.88 1jfz h ILE 300 N 5.75 0.00 0.00 2.17 2.10 -1.92 -3.49 117.51 122.12 1jfz h ILE 300 Ca -0.27 -0.45 0.00 0.00 1.08 0.00 0.00 64.86 65.22 1jfz h ILE 300 Cb 1.11 0.00 0.00 0.00 -1.09 0.00 0.00 36.82 36.84 1jfz h ILE 300 CO 0.77 0.00 0.00 -0.46 -1.08 0.00 0.00 178.15 177.38 1jfz n ASN 301 N -3.26 0.00 0.04 2.19 2.04 -1.26 -4.32 115.26 110.68 1jfz n ASN 301 Ca -0.01 0.00 0.12 0.00 -0.44 0.00 0.00 54.58 54.25 1jfz n ASN 301 Cb 0.04 0.00 0.12 0.00 -2.53 0.00 0.00 39.78 37.40 1jfz n ASN 301 CO 0.00 0.00 0.00 -0.62 -0.44 0.00 0.00 177.26 176.20 1jfz n GLU 302 N -0.36 0.25 0.02 -3.83 1.02 -1.26 -3.77 120.64 112.71 1jfz n GLU 302 Ca 0.00 0.04 -0.15 0.00 -0.02 0.00 0.00 57.16 57.03 1jfz n GLU 302 Cb 0.00 -1.62 -0.14 0.00 -0.02 0.00 0.00 31.44 29.66 1jfz n GLU 302 CO 0.00 0.00 0.00 1.15 1.18 0.00 0.00 177.13 179.46 1jfz h THR 303 N 0.00 0.90 -0.36 2.62 2.02 -1.97 -3.26 112.91 112.87 1jfz h THR 303 Ca 0.00 -2.64 -0.16 0.00 0.77 0.00 0.00 66.41 64.38 1jfz h THR 303 Cb 0.71 2.57 -0.00 0.00 -1.74 0.00 0.00 68.15 69.68 1jfz h THR 303 CO 0.00 0.74 -0.40 -0.29 0.37 0.00 0.00 175.52 175.93 1jfz h ILE 304 N 0.04 1.27 0.52 3.11 2.10 -1.75 -2.98 117.51 119.82 1jfz h ILE 304 Ca -0.31 -1.58 -0.03 0.00 1.08 0.00 0.00 64.86 64.03 1jfz h ILE 304 Cb 2.02 1.45 0.01 0.00 -1.09 0.00 0.00 36.82 39.20 1jfz h ILE 304 CO 0.11 0.52 -0.25 0.40 -1.08 0.00 0.00 178.15 177.86 1jfz h ILE 305 N 0.71 0.40 0.00 2.19 2.04 -1.71 1.03 117.51 122.17 1jfz h ILE 305 Ca 0.05 -0.34 -0.03 0.00 1.00 0.00 0.00 64.86 65.55 1jfz h ILE 305 Cb 1.00 0.53 -0.00 0.00 -0.74 0.00 0.00 36.82 37.60 1jfz h ILE 305 CO 0.10 0.05 -0.13 1.23 0.00 0.00 0.00 178.15 179.39 1jfz h GLY 306 N -0.93 0.00 0.92 5.37 0.00 -1.70 1.45 103.07 108.18 1jfz h GLY 306 Ca -0.07 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.16 1jfz h GLY 306 CO 0.12 0.00 -0.22 -0.55 0.00 0.00 0.00 176.54 175.89 1jfz h ASP 307 N 0.00 0.66 0.27 0.19 3.32 -1.34 0.35 116.42 119.87 1jfz h ASP 307 Ca -0.00 -0.45 -0.12 0.00 0.02 0.00 0.00 57.03 56.47 1jfz h ASP 307 Cb 0.26 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 1jfz h ASP 307 CO 0.02 0.97 -0.48 0.58 -1.72 0.00 0.00 179.24 178.61 1jfz h VAL 308 N 0.35 1.34 -0.69 -1.35 2.07 0.27 0.32 116.25 118.56 1jfz h VAL 308 Ca 0.05 -1.68 0.04 0.00 0.82 0.00 0.00 66.70 65.93 1jfz h VAL 308 Cb 0.77 1.79 -0.05 0.00 -1.52 0.00 0.00 31.29 32.28 1jfz h VAL 308 CO 0.06 0.50 0.41 0.15 0.02 0.00 0.00 177.57 178.71 1jfz h PHE 309 N 0.20 0.77 -0.31 1.57 3.57 0.22 0.39 116.94 123.35 1jfz h PHE 309 Ca 0.01 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.47 1jfz h PHE 309 Cb 0.92 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 39.40 1jfz h PHE 309 CO 0.02 0.41 -0.06 0.93 -2.23 0.00 0.00 178.31 177.38 1jfz h GLU 310 N 0.79 0.59 0.00 1.11 5.08 -0.24 -2.87 114.58 119.03 1jfz h GLU 310 Ca 0.29 -0.22 -0.02 0.00 -1.00 0.00 0.00 59.36 58.40 1jfz h GLU 310 Cb 0.09 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.30 1jfz h GLU 310 CO -0.14 0.77 -0.12 0.00 -1.00 0.00 0.00 179.01 178.53 1jfz h ALA 311 N 0.80 1.00 -0.26 3.43 0.00 -0.02 -3.08 119.26 121.14 1jfz h ALA 311 Ca 0.08 -0.10 -0.18 0.00 0.00 0.00 0.00 54.91 54.71 1jfz h ALA 311 Cb 0.54 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1jfz h ALA 311 CO 0.03 0.14 -0.52 1.25 0.00 0.00 0.00 179.25 180.15 1jfz h LEU 312 N 0.00 0.91 -0.01 0.00 5.85 -0.01 -1.59 115.31 120.46 1jfz h LEU 312 Ca -0.00 -0.54 0.00 0.00 0.84 0.00 0.00 57.88 58.18 1jfz h LEU 312 Cb 0.68 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 41.45 1jfz h LEU 312 CO 0.01 1.29 0.00 0.79 -0.34 0.00 0.00 178.44 180.19 1jfz n TRP 313 N -4.06 0.95 0.08 1.25 7.02 -1.13 -2.43 117.44 119.12 1jfz n TRP 313 Ca -0.05 0.28 -0.11 0.00 -1.02 0.00 0.00 57.50 56.60 1jfz n TRP 313 Cb 0.61 -0.95 -0.04 0.00 -2.42 0.00 0.00 31.31 28.51 1jfz n TRP 313 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1jfz h ALA 314 N 2.51 0.42 -0.30 6.99 0.00 -1.45 -2.71 119.26 124.72 1jfz h ALA 314 Ca 0.00 -0.73 -0.15 0.00 0.00 0.00 0.00 54.91 54.03 1jfz h ALA 314 Cb 0.74 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 1jfz h ALA 314 CO 0.00 0.88 -0.41 0.00 0.00 0.00 0.00 179.25 179.72 1jfz h ALA 315 N 0.84 0.71 -0.38 0.00 0.00 -0.94 -2.33 119.26 117.17 1jfz h ALA 315 Ca -0.07 -0.46 0.02 0.00 0.00 0.00 0.00 54.91 54.40 1jfz h ALA 315 Cb 1.57 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 19.23 1jfz h ALA 315 CO 0.15 0.66 0.22 0.28 0.00 0.00 0.00 179.25 180.57 1jfz h VAL 316 N 0.59 1.04 -0.13 0.00 2.07 -1.56 0.11 116.25 118.37 1jfz h VAL 316 Ca 0.05 -0.16 0.04 0.00 0.82 0.00 0.00 66.70 67.45 1jfz h VAL 316 Cb 0.96 0.55 -0.07 0.00 -1.52 0.00 0.00 31.29 31.21 1jfz h VAL 316 CO 0.09 0.08 -0.42 0.22 0.02 0.00 0.00 177.57 177.56 1jfz h TYR 317 N 0.46 -1.22 -0.01 1.57 3.20 -1.31 -0.34 116.97 119.31 1jfz h TYR 317 Ca 0.15 0.05 -0.00 0.00 3.14 0.00 0.00 58.73 62.07 1jfz h TYR 317 Cb 0.00 0.55 -0.00 0.00 1.54 0.00 0.00 36.73 38.82 1jfz h TYR 317 CO -0.07 -0.48 -0.00 0.82 -1.64 0.00 0.00 178.16 176.79 1jfz h ILE 318 N -0.50 1.30 -0.85 1.81 2.04 -1.34 -0.88 117.51 119.10 1jfz h ILE 318 Ca 0.07 -0.90 0.16 0.00 1.00 0.00 0.00 64.86 65.19 1jfz h ILE 318 Cb 0.63 1.90 -0.06 0.00 -0.74 0.00 0.00 36.82 38.54 1jfz h ILE 318 CO -0.40 0.24 0.56 -0.78 0.00 0.00 0.00 178.15 177.77 1jfz h ASP 319 N -0.36 0.52 0.00 1.72 3.58 -0.63 -0.70 116.42 120.56 1jfz h ASP 319 Ca 0.00 0.04 0.00 0.00 0.42 0.00 0.00 57.03 57.49 1jfz h ASP 319 Cb 0.39 -0.07 0.00 0.00 1.72 0.00 0.00 39.33 41.37 1jfz h ASP 319 CO 0.00 0.25 0.00 -1.54 -2.88 0.00 0.00 179.24 175.08 1jfz n SER 320 N -4.53 0.00 0.00 2.28 3.41 -0.15 -4.77 113.62 109.86 1jfz n SER 320 Ca 0.17 -0.58 0.00 0.00 -0.26 0.00 0.00 58.87 58.19 1jfz n SER 320 Cb 0.54 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.49 1jfz n SER 320 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1jfz n GLY 321 N 0.13 0.50 3.49 5.00 0.00 -0.27 -3.90 105.19 110.13 1jfz n GLY 321 Ca 0.13 -0.85 -0.18 0.00 0.00 0.00 0.00 46.02 45.12 1jfz n GLY 321 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jfz n ARG 322 N -1.33 -6.38 -3.08 1.61 1.74 -0.36 -4.94 116.66 103.91 1jfz n ARG 322 Ca 0.00 0.81 -0.45 0.00 -0.77 0.00 0.00 57.85 57.44 1jfz n ARG 322 Cb 0.38 -5.75 -0.03 0.00 -1.02 0.00 0.00 32.46 26.04 1jfz n ARG 322 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1jfz s ASP 323 N -4.31 6.53 0.26 0.55 -1.08 -1.20 -4.86 116.67 112.55 1jfz s ASP 323 Ca 0.03 -2.02 -0.04 0.00 -0.52 0.00 0.00 52.55 50.00 1jfz s ASP 323 Cb -0.01 -2.32 0.32 0.00 -1.46 0.00 0.00 42.92 39.44 1jfz s ASP 323 CO 0.74 -0.96 1.85 0.00 0.52 0.00 0.00 175.17 177.33 1jfz h ALA 324 N 8.67 1.20 0.18 3.66 0.00 -1.92 -1.70 119.26 129.35 1jfz h ALA 324 Ca 0.00 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 1jfz h ALA 324 Cb 1.05 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1jfz h ALA 324 CO 1.01 0.60 -0.09 -0.91 0.00 0.00 0.00 179.25 179.86 1jfz h ASN 325 N 1.04 -0.21 -0.12 0.00 2.35 -1.98 0.33 115.58 116.99 1jfz h ASN 325 Ca 0.25 -0.22 0.02 0.00 -0.55 0.00 0.00 56.30 55.80 1jfz h ASN 325 Cb 0.14 0.05 -0.02 0.00 0.05 0.00 0.00 38.32 38.55 1jfz h ASN 325 CO -0.03 0.12 -0.03 0.15 -1.65 0.00 0.00 177.43 175.99 1jfz h PHE 326 N -0.55 -0.06 -0.65 1.19 3.57 -1.95 0.09 116.94 118.57 1jfz h PHE 326 Ca -0.03 0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.53 1jfz h PHE 326 Cb 0.42 0.05 -0.05 0.00 2.79 0.00 0.00 35.95 39.15 1jfz h PHE 326 CO 0.02 -0.05 0.38 1.15 -2.23 0.00 0.00 178.31 177.58 1jfz h THR 327 N 0.00 1.01 -0.42 4.41 2.02 -1.25 0.15 112.91 118.84 1jfz h THR 327 Ca 0.06 -0.25 0.08 0.00 0.77 0.00 0.00 66.41 67.07 1jfz h THR 327 Cb 0.08 0.23 -0.07 0.00 -1.74 0.00 0.00 68.15 66.65 1jfz h THR 327 CO -0.12 0.13 -0.05 -0.09 0.37 0.00 0.00 175.52 175.76 1jfz h ARG 328 N 0.72 0.05 -0.14 6.66 2.43 0.40 -0.28 114.38 124.21 1jfz h ARG 328 Ca 0.28 -0.00 -0.13 0.00 -0.81 0.00 0.00 59.98 59.32 1jfz h ARG 328 Cb 0.12 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.65 1jfz h ARG 328 CO -0.15 0.03 -0.45 0.93 -1.51 0.00 0.00 179.97 178.82 1jfz h GLU 329 N 0.05 0.36 -0.66 0.20 4.39 0.25 -0.85 114.58 118.32 1jfz h GLU 329 Ca 0.21 -0.19 -0.03 0.00 0.34 0.00 0.00 59.36 59.68 1jfz h GLU 329 Cb 0.31 0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 28.93 1jfz h GLU 329 CO -0.39 0.74 0.29 -0.07 -1.16 0.00 0.00 179.01 178.42 1jfz h LEU 330 N 0.29 0.90 0.10 1.33 3.38 -0.37 0.23 115.31 121.16 1jfz h LEU 330 Ca 0.02 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.83 1jfz h LEU 330 Cb 0.92 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.43 1jfz h LEU 330 CO 0.08 0.81 -0.08 0.15 0.09 0.00 0.00 178.44 179.48 1jfz h PHE 331 N 0.93 -0.20 -0.33 1.13 3.04 -0.71 -3.04 116.94 117.76 1jfz h PHE 331 Ca 0.22 -0.00 -0.07 0.00 3.98 0.00 0.00 57.97 62.11 1jfz h PHE 331 Cb 0.17 0.08 -0.02 0.00 2.56 0.00 0.00 35.95 38.74 1jfz h PHE 331 CO 0.01 -0.12 -0.09 1.88 -2.02 0.00 0.00 178.31 177.97 1jfz h TYR 332 N -0.19 0.58 -0.38 0.41 0.05 -0.66 -1.48 116.97 115.31 1jfz h TYR 332 Ca -0.00 -0.08 0.06 0.00 0.05 0.00 0.00 58.73 58.75 1jfz h TYR 332 Cb 0.17 -0.16 -0.02 0.00 1.01 0.00 0.00 36.73 37.73 1jfz h TYR 332 CO -0.10 0.62 0.26 -0.22 -1.05 0.00 0.00 178.16 177.67 1jfz h LYS 333 N 0.51 0.27 0.08 4.88 1.63 -0.44 0.22 116.57 123.72 1jfz h LYS 333 Ca 0.10 -0.02 -0.31 0.00 -0.85 0.00 0.00 60.65 59.57 1jfz h LYS 333 Cb 0.46 -0.06 -0.02 0.00 -0.60 0.00 0.00 32.23 32.01 1jfz h LYS 333 CO 0.02 0.18 -1.70 -0.07 -3.45 0.00 0.00 179.45 174.43 1jfz h LEU 334 N 0.28 0.27 -2.22 5.20 3.38 -1.39 -3.43 115.31 117.40 1jfz h LEU 334 Ca 0.17 -0.79 0.00 0.00 0.09 0.00 0.00 57.88 57.35 1jfz h LEU 334 Cb 0.31 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.97 1jfz h LEU 334 CO -0.03 1.72 0.00 0.49 0.09 0.00 0.00 178.44 180.70 1jfz n PHE 335 N -3.85 0.04 -0.27 1.13 3.72 -0.61 -4.68 117.46 112.93 1jfz n PHE 335 Ca -0.31 -0.30 0.10 0.00 -0.05 0.00 0.00 57.45 56.89 1jfz n PHE 335 Cb 0.91 -0.03 0.35 0.00 -0.94 0.00 0.00 39.48 39.78 1jfz n PHE 335 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 1jfz h LYS 336 N 0.26 0.72 -0.09 -1.08 3.64 -0.75 -1.92 116.57 117.36 1jfz h LYS 336 Ca 0.00 -0.04 0.02 0.00 -1.27 0.00 0.00 60.65 59.36 1jfz h LYS 336 Cb 0.34 -0.16 -0.05 0.00 -0.41 0.00 0.00 32.23 31.95 1jfz h LYS 336 CO 0.00 0.48 -0.42 1.49 -2.27 0.00 0.00 179.45 178.73 1jfz h GLU 337 N 0.75 -0.44 0.00 1.90 4.57 -1.84 -2.13 114.58 117.39 1jfz h GLU 337 Ca 0.43 0.03 -0.07 0.00 -1.18 0.00 0.00 59.36 58.57 1jfz h GLU 337 Cb 0.61 0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 29.29 1jfz h GLU 337 CO -0.19 -0.30 -0.34 -0.44 -1.18 0.00 0.00 179.01 176.56 1jfz h ASP 338 N -0.46 0.00 0.07 1.04 5.19 -1.80 -2.73 116.42 117.73 1jfz h ASP 338 Ca 0.02 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.43 1jfz h ASP 338 Cb 0.53 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.04 1jfz h ASP 338 CO -0.33 0.34 -0.03 0.40 -3.12 0.00 0.00 179.24 176.49 1jfz h ILE 339 N 0.00 1.23 -0.36 0.35 2.04 -1.16 -2.39 117.51 117.22 1jfz h ILE 339 Ca -0.00 -1.30 0.08 0.00 1.00 0.00 0.00 64.86 64.64 1jfz h ILE 339 Cb 0.96 2.03 -0.08 0.00 -0.74 0.00 0.00 36.82 39.00 1jfz h ILE 339 CO 0.04 0.31 -0.18 -0.07 0.00 0.00 0.00 178.15 178.25 1jfz h LEU 340 N -0.71 -0.62 -0.44 1.44 3.38 -1.41 -1.95 115.31 115.00 1jfz h LEU 340 Ca -0.01 0.14 0.08 0.00 0.09 0.00 0.00 57.88 58.18 1jfz h LEU 340 Cb 0.58 0.33 -0.09 0.00 0.09 0.00 0.00 40.66 41.57 1jfz h LEU 340 CO 0.02 -0.22 -0.41 -1.28 0.09 0.00 0.00 178.44 176.64 1jfz h SER 341 N -0.12 -1.36 0.06 -0.43 0.87 -1.49 0.14 113.55 111.21 1jfz h SER 341 Ca 0.18 0.22 -0.00 0.00 -1.23 0.00 0.00 61.79 60.96 1jfz h SER 341 Cb 0.40 0.61 -0.00 0.00 -0.44 0.00 0.00 62.40 62.97 1jfz h SER 341 CO -0.44 -0.35 -0.00 0.00 -0.53 0.00 0.00 176.83 175.51 1jfz h ALA 342 N 0.55 1.05 0.04 6.23 0.00 -1.04 -1.99 119.26 124.10 1jfz h ALA 342 Ca 0.16 -0.00 -0.19 0.00 0.00 0.00 0.00 54.91 54.88 1jfz h ALA 342 Cb 0.57 -0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.38 1jfz h ALA 342 CO -0.59 0.00 -0.75 0.82 0.00 0.00 0.00 179.25 178.73 1jfz h ILE 343 N 0.00 1.42 -0.18 0.00 2.04 0.03 -2.02 117.51 118.79 1jfz h ILE 343 Ca -0.00 -2.23 -0.18 0.00 1.00 0.00 0.00 64.86 63.45 1jfz h ILE 343 Cb 0.03 2.73 -0.00 0.00 -0.74 0.00 0.00 36.82 38.84 1jfz h ILE 343 CO 0.00 0.65 -0.61 0.07 0.00 0.00 0.00 178.15 178.27 1jfz h LYS 344 N -0.09 0.62 -0.04 2.37 2.10 -1.00 -2.81 116.57 117.73 1jfz h LYS 344 Ca -0.11 -0.42 -0.14 0.00 -2.00 0.00 0.00 60.65 57.98 1jfz h LYS 344 Cb 1.48 0.06 -0.01 0.00 -0.90 0.00 0.00 32.23 32.86 1jfz h LYS 344 CO 0.15 1.04 -0.60 0.93 -2.00 0.00 0.00 179.45 178.97 1jfz h GLU 345 N 0.46 0.14 -5.07 0.07 5.08 -1.49 -3.49 114.58 110.29 1jfz h GLU 345 Ca -0.00 -0.10 0.01 0.00 -1.00 0.00 0.00 59.36 58.26 1jfz h GLU 345 Cb 1.18 0.01 -0.08 0.00 0.50 0.00 0.00 28.75 30.36 1jfz h GLU 345 CO 0.12 0.70 -1.37 0.41 -1.00 0.00 0.00 179.01 177.86 1jfz n GLY 346 N 0.23 -4.91 3.62 -3.84 0.00 -0.76 -5.05 105.19 94.48 1jfz n GLY 346 Ca -0.02 1.30 -0.23 0.00 0.00 0.00 0.00 46.02 47.07 1jfz n GLY 346 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1jfz s ARG 347 N -1.05 2.21 0.00 1.61 0.52 -1.26 -5.08 118.95 115.90 1jfz s ARG 347 Ca -0.18 -1.47 0.00 0.00 -0.52 0.00 0.00 55.73 53.56 1jfz s ARG 347 Cb 0.01 -2.11 0.00 0.00 0.52 0.00 0.00 34.95 33.37 1jfz s ARG 347 CO 0.79 0.35 0.00 0.72 0.02 0.00 0.00 175.30 177.19