REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 3my0_1_T DATA FIRST_RESID 0 DATA SEQUENCE MXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXQRTVA DATA SEQUENCE RQVALVECVG KGRYGEVWRG LWHGESVAVK IFSSRDEQSW FRETEIYNTV DATA SEQUENCE LLRHDNILGF IASDMXXXXX XXQLWLITHY HEHGSLYDFL QRQTLEPHLA DATA SEQUENCE LRLAVSAACG LAHLHVEIFG TQGKPAIAHR DFKSRNVLVK SNLQCCIADL DATA SEQUENCE GLAVMHSQGS DYLDIGNNPR VGTKRYMAPE VLDEQIRTDC FESYKWTDIW DATA SEQUENCE AFGLVLWEIA RRTIVNGIVE DYRPPFYDVV PNDPSFEDMK KVVCVDQQTP DATA SEQUENCE TIPNRLAADP VLSGLAQMMR ECWYPNPSAR LTALRIKKTL QKI VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 0 M HA 0.000 nan 4.480 nan 0.000 0.227 0 M C 0.000 176.313 176.300 0.022 0.000 1.140 0 M CA 0.000 55.314 55.300 0.024 0.000 0.988 0 M CB 0.000 32.618 32.600 0.031 0.000 1.302 196 R N 1.432 121.952 120.500 0.033 0.000 2.127 196 R HA -0.027 4.312 4.340 -0.000 0.000 0.219 196 R C 1.829 178.147 176.300 0.029 0.000 1.133 196 R CA 2.189 58.309 56.100 0.032 0.000 0.890 196 R CB -1.901 28.415 30.300 0.026 0.000 0.804 196 R HN 0.172 nan 8.270 nan 0.000 0.443 197 T N -0.100 114.473 114.554 0.032 0.000 3.144 197 T HA 0.201 4.551 4.350 -0.000 0.000 0.249 197 T C 1.674 176.414 174.700 0.065 0.000 1.089 197 T CA 0.515 62.635 62.100 0.033 0.000 0.989 197 T CB 0.440 69.323 68.868 0.026 0.000 0.992 197 T HN 0.175 nan 8.240 nan 0.000 0.540 198 V N 1.632 121.593 119.914 0.078 0.000 2.626 198 V HA -0.046 4.074 4.120 -0.000 0.000 0.252 198 V C 2.519 178.654 176.094 0.068 0.000 1.067 198 V CA 1.738 64.092 62.300 0.090 0.000 1.081 198 V CB -0.670 31.203 31.823 0.083 0.000 0.686 198 V HN 0.574 nan 8.190 nan 0.000 0.468 199 A N -0.287 122.578 122.820 0.075 0.000 2.119 199 A HA 0.004 4.324 4.320 -0.000 0.000 0.216 199 A C 2.332 179.940 177.584 0.040 0.000 1.152 199 A CA 1.529 53.635 52.037 0.115 0.000 0.708 199 A CB -0.479 18.569 19.000 0.079 0.000 0.805 199 A HN 0.569 nan 8.150 nan 0.000 0.460 200 R N -0.507 119.999 120.500 0.010 0.000 2.156 200 R HA 0.112 4.452 4.340 -0.000 0.000 0.207 200 R C 1.917 178.229 176.300 0.021 0.000 1.040 200 R CA 1.313 57.404 56.100 -0.014 0.000 1.013 200 R CB -0.871 29.418 30.300 -0.018 0.000 0.931 200 R HN 0.693 nan 8.270 nan 0.000 0.465 201 Q N -0.283 119.542 119.800 0.041 0.000 2.331 201 Q HA 0.183 4.523 4.340 -0.000 0.000 0.203 201 Q C 0.350 176.341 176.000 -0.014 0.000 0.944 201 Q CA 0.192 56.015 55.803 0.033 0.000 0.892 201 Q CB 0.427 29.224 28.738 0.098 0.000 0.983 201 Q HN 0.326 nan 8.270 nan 0.000 0.482 202 V N 1.781 121.700 119.914 0.008 0.000 2.540 202 V HA 0.082 4.202 4.120 -0.000 0.000 0.297 202 V C -0.041 176.063 176.094 0.016 0.000 1.024 202 V CA -0.061 62.236 62.300 -0.006 0.000 1.105 202 V CB 0.513 32.377 31.823 0.069 0.000 0.938 202 V HN 0.225 nan 8.190 nan 0.000 0.482 203 A N 7.345 130.142 122.820 -0.039 0.000 2.292 203 A HA 0.727 5.047 4.320 -0.000 0.000 0.319 203 A C -0.518 177.026 177.584 -0.068 0.000 1.206 203 A CA -0.643 51.371 52.037 -0.038 0.000 0.835 203 A CB 0.519 19.496 19.000 -0.039 0.000 1.164 203 A HN 0.796 nan 8.150 nan 0.000 0.505 204 L N 3.587 124.751 121.223 -0.098 0.000 2.276 204 L HA 0.329 4.669 4.340 -0.000 0.000 0.286 204 L C 0.549 177.404 176.870 -0.026 0.000 1.061 204 L CA -0.491 54.268 54.840 -0.135 0.000 0.807 204 L CB 1.287 43.108 42.059 -0.397 0.000 1.177 204 L HN 0.601 nan 8.230 nan 0.000 0.429 205 V N 1.219 121.176 119.914 0.072 0.000 2.854 205 V HA 0.160 4.280 4.120 -0.000 0.000 0.236 205 V C 0.367 176.583 176.094 0.202 0.000 1.157 205 V CA 0.373 62.726 62.300 0.088 0.000 1.187 205 V CB 0.520 32.345 31.823 0.004 0.000 0.949 205 V HN 0.807 nan 8.190 nan 0.000 0.488 206 E N -0.677 119.662 120.200 0.232 0.000 2.275 206 E HA 0.293 4.643 4.350 -0.000 0.000 0.270 206 E C -1.610 174.924 176.600 -0.110 0.000 0.882 206 E CA -0.487 55.970 56.400 0.094 0.000 0.758 206 E CB 2.207 31.899 29.700 -0.012 0.000 1.195 206 E HN 0.325 nan 8.360 nan 0.000 0.419 207 C N 5.535 124.377 119.300 -0.763 0.000 2.349 207 C HA 0.317 4.777 4.460 -0.000 0.000 0.348 207 C C 1.383 176.017 174.990 -0.594 0.000 1.223 207 C CA -0.223 57.959 59.018 -1.394 0.000 1.746 207 C CB -1.006 25.556 27.740 -1.963 0.000 2.360 207 C HN 0.593 nan 8.230 nan 0.000 0.533 208 V N 4.195 123.883 119.914 -0.376 0.000 3.578 208 V HA 0.569 4.689 4.120 -0.000 0.000 0.290 208 V C 0.748 176.780 176.094 -0.103 0.000 1.376 208 V CA 0.704 62.920 62.300 -0.141 0.000 1.083 208 V CB -0.479 31.361 31.823 0.028 0.000 0.911 208 V HN 1.049 nan 8.190 nan 0.000 0.433 209 G N -0.731 107.971 108.800 -0.163 0.000 2.732 209 G HA2 0.729 4.688 3.960 -0.000 0.000 0.296 209 G HA3 0.729 4.688 3.960 -0.000 0.000 0.296 209 G C -1.275 173.574 174.900 -0.086 0.000 1.448 209 G CA 0.024 45.096 45.100 -0.045 0.000 0.911 209 G HN 0.658 nan 8.290 nan 0.000 0.528 210 K N -0.688 119.663 120.400 -0.081 0.000 2.542 210 K HA 1.006 5.326 4.320 -0.000 0.000 0.259 210 K C -0.006 176.396 176.600 -0.331 0.000 0.932 210 K CA 0.048 56.208 56.287 -0.212 0.000 0.820 210 K CB 1.805 34.207 32.500 -0.164 0.000 1.345 210 K HN 2.491 nan 8.250 nan 0.000 0.432 211 G N -1.136 107.292 108.800 -0.620 0.000 2.427 211 G HA2 0.554 4.513 3.960 -0.000 0.000 0.306 211 G HA3 0.554 4.513 3.960 -0.000 0.000 0.306 211 G C 0.683 175.263 174.900 -0.534 0.000 1.280 211 G CA 0.965 45.710 45.100 -0.592 0.000 0.837 211 G HN 1.320 nan 8.290 nan 0.000 0.482 212 R N -1.249 119.072 120.500 -0.299 0.000 2.148 212 R HA 0.076 4.416 4.340 -0.000 0.000 0.223 212 R C 2.249 178.507 176.300 -0.070 0.000 1.088 212 R CA 2.530 58.559 56.100 -0.118 0.000 0.985 212 R CB -1.690 28.611 30.300 0.001 0.000 0.880 212 R HN 1.130 nan 8.270 nan 0.000 0.451 213 Y N -1.994 118.319 120.300 0.022 0.000 2.421 213 Y HA 0.335 4.885 4.550 -0.000 0.000 0.292 213 Y C 1.265 177.150 175.900 -0.025 0.000 1.136 213 Y CA -0.054 58.055 58.100 0.015 0.000 1.255 213 Y CB -0.226 38.213 38.460 -0.036 0.000 0.991 213 Y HN 0.519 nan 8.280 nan 0.000 0.552 214 G N -0.234 108.367 108.800 -0.332 0.000 2.204 214 G HA2 0.053 4.013 3.960 -0.000 0.000 0.153 214 G HA3 0.053 4.013 3.960 -0.000 0.000 0.153 214 G C -1.372 173.379 174.900 -0.249 0.000 1.295 214 G CA -0.373 44.641 45.100 -0.144 0.000 1.257 214 G HN 0.312 nan 8.290 nan 0.000 0.495 215 E N -1.225 118.986 120.200 0.019 0.000 2.356 215 E HA 0.583 4.932 4.350 -0.000 0.000 0.275 215 E C -1.371 175.337 176.600 0.180 0.000 0.904 215 E CA -0.818 55.629 56.400 0.078 0.000 0.757 215 E CB 3.188 32.987 29.700 0.165 0.000 1.232 215 E HN 0.422 nan 8.360 nan 0.000 0.442 216 V N 1.829 121.806 119.914 0.105 0.000 2.555 216 V HA 0.461 4.581 4.120 -0.000 0.000 0.302 216 V C -1.181 174.888 176.094 -0.042 0.000 1.038 216 V CA -0.669 61.684 62.300 0.088 0.000 0.887 216 V CB 0.897 32.762 31.823 0.070 0.000 0.991 216 V HN 0.594 nan 8.190 nan 0.000 0.434 217 W N 2.688 123.942 121.300 -0.076 0.000 2.761 217 W HA 0.650 5.310 4.660 -0.000 0.000 0.340 217 W C 0.170 176.611 176.519 -0.129 0.000 1.072 217 W CA -0.757 56.525 57.345 -0.105 0.000 1.215 217 W CB 1.404 30.755 29.460 -0.182 0.000 1.420 217 W HN 0.347 nan 8.180 nan 0.000 0.519 218 R N 1.414 121.929 120.500 0.025 0.000 2.340 218 R HA 0.609 4.949 4.340 -0.000 0.000 0.300 218 R C 0.097 176.298 176.300 -0.165 0.000 1.069 218 R CA -0.067 55.846 56.100 -0.311 0.000 0.984 218 R CB 0.303 30.268 30.300 -0.558 0.000 1.003 218 R HN 0.742 nan 8.270 nan 0.000 0.459 219 G N 3.453 112.120 108.800 -0.221 0.000 2.533 219 G HA2 0.433 4.393 3.960 -0.000 0.000 0.304 219 G HA3 0.433 4.393 3.960 -0.000 0.000 0.304 219 G C -1.524 173.278 174.900 -0.163 0.000 1.263 219 G CA -0.649 44.361 45.100 -0.149 0.000 0.964 219 G HN 0.370 nan 8.290 nan 0.000 0.479 220 L N 0.823 121.970 121.223 -0.126 0.000 2.296 220 L HA 0.677 5.017 4.340 -0.000 0.000 0.286 220 L C -0.498 176.279 176.870 -0.155 0.000 1.023 220 L CA -0.366 54.401 54.840 -0.122 0.000 0.812 220 L CB 0.795 42.801 42.059 -0.089 0.000 1.223 220 L HN 0.799 nan 8.230 nan 0.000 0.421 221 W N 2.974 124.152 121.300 -0.203 0.000 2.647 221 W HA 0.446 5.105 4.660 -0.000 0.000 0.328 221 W C 0.320 176.584 176.519 -0.426 0.000 1.018 221 W CA -1.176 55.907 57.345 -0.436 0.000 1.245 221 W CB -0.695 28.509 29.460 -0.427 0.000 1.356 221 W HN 0.940 nan 8.180 nan 0.000 0.443 222 H N 2.397 121.464 119.070 -0.006 0.000 2.506 222 H HA -0.037 4.519 4.556 -0.000 0.000 0.323 222 H C 1.732 177.055 175.328 -0.009 0.000 1.076 222 H CA 1.682 57.726 56.048 -0.006 0.000 1.108 222 H CB -1.066 28.694 29.762 -0.004 0.000 1.569 222 H HN 2.382 nan 8.280 nan 0.000 0.399 223 G N -1.073 107.745 108.800 0.031 0.000 2.417 223 G HA2 -0.382 3.578 3.960 -0.000 0.000 0.233 223 G HA3 -0.382 3.578 3.960 -0.000 0.000 0.233 223 G C 0.311 175.206 174.900 -0.008 0.000 1.103 223 G CA 0.578 45.687 45.100 0.014 0.000 0.647 223 G HN 0.571 nan 8.290 nan 0.000 0.512 224 E N 0.976 121.171 120.200 -0.009 0.000 2.345 224 E HA 0.674 5.023 4.350 -0.000 0.000 0.259 224 E C 0.085 176.653 176.600 -0.053 0.000 1.117 224 E CA 0.075 56.462 56.400 -0.021 0.000 0.913 224 E CB 1.130 30.826 29.700 -0.006 0.000 1.057 224 E HN 0.221 nan 8.360 nan 0.000 0.432 225 S N 0.421 116.093 115.700 -0.046 0.000 2.508 225 S HA 0.533 5.003 4.470 -0.000 0.000 0.284 225 S C -0.693 173.882 174.600 -0.043 0.000 1.192 225 S CA -0.812 57.334 58.200 -0.090 0.000 1.070 225 S CB 0.667 63.821 63.200 -0.077 0.000 1.004 225 S HN 0.370 nan 8.310 nan 0.000 0.493 226 V N 0.127 119.986 119.914 -0.093 0.000 3.040 226 V HA 1.004 5.124 4.120 -0.000 0.000 0.312 226 V C -0.290 175.796 176.094 -0.013 0.000 1.115 226 V CA -1.387 60.908 62.300 -0.009 0.000 0.998 226 V CB 1.412 33.217 31.823 -0.031 0.000 1.042 226 V HN 0.882 nan 8.190 nan 0.000 0.433 227 A N 2.204 125.084 122.820 0.101 0.000 2.290 227 A HA 0.807 5.127 4.320 -0.000 0.000 0.310 227 A C -0.450 177.154 177.584 0.033 0.000 1.202 227 A CA -0.578 51.541 52.037 0.136 0.000 0.837 227 A CB 1.121 20.243 19.000 0.202 0.000 1.139 227 A HN 1.442 nan 8.150 nan 0.000 0.509 228 V N 3.547 123.458 119.914 -0.005 0.000 2.349 228 V HA 0.277 4.397 4.120 -0.000 0.000 0.284 228 V C 0.154 176.201 176.094 -0.078 0.000 1.014 228 V CA -0.592 61.637 62.300 -0.119 0.000 0.826 228 V CB 1.141 32.733 31.823 -0.384 0.000 1.009 228 V HN 0.903 nan 8.190 nan 0.000 0.431 229 K N 5.678 126.077 120.400 -0.001 0.000 2.284 229 K HA 0.512 4.832 4.320 -0.000 0.000 0.287 229 K C -0.664 175.949 176.600 0.021 0.000 1.081 229 K CA -0.401 55.884 56.287 -0.003 0.000 0.910 229 K CB 0.502 32.970 32.500 -0.053 0.000 1.088 229 K HN 0.632 nan 8.250 nan 0.000 0.478 230 I N 5.790 126.349 120.570 -0.019 0.000 2.312 230 I HA 0.174 4.343 4.170 -0.000 0.000 0.291 230 I C -0.180 176.041 176.117 0.173 0.000 1.031 230 I CA -0.629 60.721 61.300 0.083 0.000 1.293 230 I CB 0.451 38.453 38.000 0.004 0.000 1.403 230 I HN 0.442 nan 8.210 nan 0.000 0.484 231 F N 3.975 124.041 119.950 0.193 0.000 2.389 231 F HA 0.223 4.750 4.527 -0.000 0.000 0.337 231 F C 1.228 177.103 175.800 0.125 0.000 1.112 231 F CA -0.206 57.911 58.000 0.194 0.000 1.192 231 F CB 1.209 40.337 39.000 0.213 0.000 1.185 231 F HN 0.479 nan 8.300 nan 0.000 0.552 232 S N 0.431 116.295 115.700 0.272 0.000 2.617 232 S HA 0.149 4.619 4.470 -0.000 0.000 0.269 232 S C 0.866 175.567 174.600 0.167 0.000 1.292 232 S CA -0.583 57.716 58.200 0.164 0.000 1.010 232 S CB 1.375 64.633 63.200 0.097 0.000 0.944 232 S HN 0.616 nan 8.310 nan 0.000 0.536 233 S N 1.398 117.159 115.700 0.101 0.000 2.400 233 S HA -0.097 4.373 4.470 -0.000 0.000 0.232 233 S C 2.408 177.057 174.600 0.081 0.000 1.025 233 S CA 1.353 59.596 58.200 0.071 0.000 0.993 233 S CB -0.858 62.367 63.200 0.042 0.000 0.808 233 S HN 0.925 nan 8.310 nan 0.000 0.478 234 R N 0.982 121.536 120.500 0.090 0.000 2.316 234 R HA 0.082 4.422 4.340 -0.000 0.000 0.202 234 R C 1.245 177.623 176.300 0.131 0.000 1.029 234 R CA 1.451 57.606 56.100 0.091 0.000 1.018 234 R CB -0.742 29.603 30.300 0.076 0.000 0.888 234 R HN 0.363 nan 8.270 nan 0.000 0.471 235 D N -1.103 119.412 120.400 0.192 0.000 2.599 235 D HA 0.114 4.754 4.640 -0.000 0.000 0.249 235 D C 0.806 177.286 176.300 0.300 0.000 1.313 235 D CA -0.189 53.976 54.000 0.275 0.000 0.815 235 D CB 0.170 41.198 40.800 0.379 0.000 1.077 235 D HN 0.569 nan 8.370 nan 0.000 0.492 236 E N -0.125 120.191 120.200 0.192 0.000 2.171 236 E HA -0.214 4.136 4.350 -0.000 0.000 0.197 236 E C 1.549 178.270 176.600 0.202 0.000 0.997 236 E CA 0.930 57.413 56.400 0.138 0.000 0.810 236 E CB 0.188 29.922 29.700 0.057 0.000 0.738 236 E HN 0.433 nan 8.360 nan 0.000 0.467 237 Q N -0.121 119.784 119.800 0.175 0.000 2.297 237 Q HA -0.054 4.286 4.340 -0.000 0.000 0.204 237 Q C 2.191 178.315 176.000 0.207 0.000 0.962 237 Q CA 0.712 56.630 55.803 0.191 0.000 0.879 237 Q CB 0.185 28.997 28.738 0.123 0.000 0.947 237 Q HN 0.146 nan 8.270 nan 0.000 0.462 238 S N 0.219 116.038 115.700 0.200 0.000 2.387 238 S HA -0.140 4.329 4.470 -0.000 0.000 0.226 238 S C 1.211 175.843 174.600 0.054 0.000 1.026 238 S CA 0.732 59.050 58.200 0.196 0.000 0.972 238 S CB -0.299 63.126 63.200 0.374 0.000 0.814 238 S HN 0.568 nan 8.310 nan 0.000 0.477 239 W N 1.411 122.426 121.300 -0.476 0.000 2.363 239 W HA -0.147 4.513 4.660 -0.000 0.000 0.296 239 W C 1.741 178.137 176.519 -0.205 0.000 1.212 239 W CA 1.018 57.883 57.345 -0.799 0.000 1.260 239 W CB -0.428 28.365 29.460 -1.111 0.000 1.131 239 W HN 0.268 nan 8.180 nan 0.000 0.530 240 F N 1.602 121.497 119.950 -0.092 0.000 2.113 240 F HA -0.100 4.427 4.527 -0.000 0.000 0.297 240 F C 2.593 178.219 175.800 -0.291 0.000 1.103 240 F CA 2.264 60.115 58.000 -0.248 0.000 1.248 240 F CB -0.869 38.158 39.000 0.045 0.000 0.999 240 F HN -0.227 nan 8.300 nan 0.000 0.475 241 R N 0.939 121.365 120.500 -0.123 0.000 2.081 241 R HA -0.179 4.161 4.340 -0.000 0.000 0.235 241 R C 2.206 178.319 176.300 -0.311 0.000 1.131 241 R CA 2.073 58.045 56.100 -0.213 0.000 0.960 241 R CB -0.849 29.413 30.300 -0.063 0.000 0.856 241 R HN 0.491 nan 8.270 nan 0.000 0.436 242 E N -1.518 118.525 120.200 -0.261 0.000 2.107 242 E HA -0.094 4.256 4.350 -0.000 0.000 0.191 242 E C 1.303 177.727 176.600 -0.293 0.000 0.982 242 E CA 1.504 57.770 56.400 -0.222 0.000 0.809 242 E CB 0.108 29.816 29.700 0.012 0.000 0.756 242 E HN 0.348 nan 8.360 nan 0.000 0.459 243 T N 0.522 114.771 114.554 -0.509 0.000 2.777 243 T HA -0.152 4.198 4.350 -0.000 0.000 0.266 243 T C 1.622 176.000 174.700 -0.536 0.000 1.040 243 T CA 1.153 62.903 62.100 -0.583 0.000 1.141 243 T CB -0.153 68.125 68.868 -0.984 0.000 0.868 243 T HN 0.251 nan 8.240 nan 0.000 0.444 244 E N 0.656 120.481 120.200 -0.625 0.000 2.023 244 E HA -0.128 4.222 4.350 -0.000 0.000 0.196 244 E C 2.210 178.576 176.600 -0.389 0.000 1.003 244 E CA 1.161 57.242 56.400 -0.531 0.000 0.809 244 E CB -0.206 29.126 29.700 -0.613 0.000 0.755 244 E HN 0.449 nan 8.360 nan 0.000 0.449 245 I N 0.061 120.395 120.570 -0.394 0.000 2.226 245 I HA -0.285 3.885 4.170 -0.000 0.000 0.245 245 I C 2.189 178.081 176.117 -0.376 0.000 1.100 245 I CA 1.123 62.201 61.300 -0.371 0.000 1.374 245 I CB -0.320 37.424 38.000 -0.427 0.000 1.057 245 I HN 0.216 nan 8.210 nan 0.000 0.413 246 Y N 0.855 120.865 120.300 -0.483 0.000 2.293 246 Y HA -0.130 4.420 4.550 -0.000 0.000 0.291 246 Y C 2.355 177.885 175.900 -0.616 0.000 1.137 246 Y CA 1.024 58.715 58.100 -0.682 0.000 1.202 246 Y CB -0.487 37.160 38.460 -1.355 0.000 0.990 246 Y HN 0.223 nan 8.280 nan 0.000 0.537 247 N N -1.533 116.957 118.700 -0.349 0.000 2.446 247 N HA -0.044 4.695 4.740 -0.000 0.000 0.179 247 N C 1.263 176.697 175.510 -0.127 0.000 1.054 247 N CA 1.109 54.047 53.050 -0.187 0.000 0.905 247 N CB 0.169 38.559 38.487 -0.162 0.000 0.973 247 N HN 0.266 nan 8.380 nan 0.000 0.448 248 T N -0.483 113.976 114.554 -0.158 0.000 2.999 248 T HA 0.210 4.560 4.350 -0.000 0.000 0.247 248 T C 0.483 175.117 174.700 -0.109 0.000 1.012 248 T CA 0.070 62.093 62.100 -0.129 0.000 1.048 248 T CB 1.114 69.886 68.868 -0.161 0.000 1.020 248 T HN -0.213 nan 8.240 nan 0.000 0.478 249 V N 2.918 122.759 119.914 -0.122 0.000 2.417 249 V HA 0.455 4.574 4.120 -0.000 0.000 0.291 249 V C -0.529 175.537 176.094 -0.046 0.000 1.024 249 V CA -1.040 61.199 62.300 -0.101 0.000 0.861 249 V CB 1.690 33.427 31.823 -0.143 0.000 0.985 249 V HN 0.224 nan 8.190 nan 0.000 0.436 250 L N 5.464 126.676 121.223 -0.018 0.000 2.536 250 L HA 0.221 4.561 4.340 -0.000 0.000 0.282 250 L C 0.481 177.398 176.870 0.078 0.000 1.147 250 L CA 0.802 55.663 54.840 0.035 0.000 0.936 250 L CB 0.137 42.217 42.059 0.034 0.000 1.279 250 L HN 0.703 nan 8.230 nan 0.000 0.461 251 L N 3.129 124.426 121.223 0.123 0.000 2.781 251 L HA 0.337 4.677 4.340 -0.000 0.000 0.245 251 L C 1.098 178.149 176.870 0.301 0.000 1.118 251 L CA -0.021 54.943 54.840 0.207 0.000 0.918 251 L CB -0.208 41.917 42.059 0.111 0.000 1.246 251 L HN 0.577 nan 8.230 nan 0.000 0.526 252 R N 1.108 121.741 120.500 0.222 0.000 2.481 252 R HA -0.067 4.273 4.340 -0.000 0.000 0.291 252 R C -0.990 175.403 176.300 0.154 0.000 0.934 252 R CA 0.812 57.023 56.100 0.184 0.000 1.116 252 R CB -0.205 30.174 30.300 0.131 0.000 0.895 252 R HN 0.307 nan 8.270 nan 0.000 0.410 253 H N 2.861 121.938 119.070 0.011 0.000 3.121 253 H HA 0.031 4.586 4.556 -0.000 0.000 0.337 253 H C -0.329 174.985 175.328 -0.023 0.000 1.198 253 H CA -0.601 55.374 56.048 -0.122 0.000 1.274 253 H CB 1.520 31.019 29.762 -0.438 0.000 1.954 253 H HN 0.673 nan 8.280 nan 0.000 0.531 254 D N 2.214 122.498 120.400 -0.193 0.000 2.190 254 D HA -0.138 4.502 4.640 -0.000 0.000 0.200 254 D C 0.384 176.797 176.300 0.187 0.000 0.992 254 D CA 1.353 55.361 54.000 0.014 0.000 0.854 254 D CB 0.180 40.923 40.800 -0.095 0.000 0.936 254 D HN 0.510 nan 8.370 nan 0.000 0.462 255 N N -0.537 118.423 118.700 0.433 0.000 2.320 255 N HA 0.258 4.998 4.740 -0.000 0.000 0.237 255 N C -0.354 175.257 175.510 0.167 0.000 1.129 255 N CA -0.032 53.151 53.050 0.222 0.000 0.854 255 N CB 1.022 39.600 38.487 0.151 0.000 1.083 255 N HN 0.086 nan 8.380 nan 0.000 0.504 256 I N 0.789 121.487 120.570 0.213 0.000 2.619 256 I HA 0.202 4.372 4.170 -0.000 0.000 0.292 256 I C -0.847 175.419 176.117 0.248 0.000 1.100 256 I CA -1.218 60.215 61.300 0.221 0.000 1.043 256 I CB 2.275 40.419 38.000 0.240 0.000 1.239 256 I HN -0.067 nan 8.210 nan 0.000 0.420 257 L N 5.468 126.849 121.223 0.264 0.000 2.559 257 L HA 0.289 4.629 4.340 -0.000 0.000 0.274 257 L C 0.699 177.690 176.870 0.202 0.000 1.205 257 L CA 0.536 55.536 54.840 0.267 0.000 0.907 257 L CB 0.369 42.583 42.059 0.259 0.000 1.153 257 L HN 0.679 nan 8.230 nan 0.000 0.490 258 G N 4.875 113.710 108.800 0.059 0.000 2.378 258 G HA2 0.186 4.146 3.960 -0.000 0.000 0.255 258 G HA3 0.186 4.146 3.960 -0.000 0.000 0.255 258 G C -0.813 173.830 174.900 -0.429 0.000 1.270 258 G CA -0.453 44.471 45.100 -0.293 0.000 0.876 258 G HN 0.661 nan 8.290 nan 0.000 0.521 259 F N 2.889 122.529 119.950 -0.517 0.000 2.404 259 F HA 0.556 5.083 4.527 -0.000 0.000 0.339 259 F C 0.803 176.388 175.800 -0.358 0.000 1.105 259 F CA -0.896 56.735 58.000 -0.615 0.000 1.087 259 F CB 1.107 39.574 39.000 -0.888 0.000 1.143 259 F HN 0.307 nan 8.300 nan 0.000 0.491 260 I N 3.653 123.621 120.570 -1.003 0.000 3.443 260 I HA 0.423 4.592 4.170 -0.000 0.000 0.277 260 I C 0.366 175.931 176.117 -0.920 0.000 1.169 260 I CA 0.093 60.972 61.300 -0.702 0.000 1.419 260 I CB 0.397 38.193 38.000 -0.339 0.000 1.331 260 I HN 0.648 nan 8.210 nan 0.000 0.458 261 A N -0.214 121.949 122.820 -1.095 0.000 2.586 261 A HA 0.706 5.026 4.320 -0.000 0.000 0.290 261 A C -1.179 176.274 177.584 -0.218 0.000 1.086 261 A CA -0.332 51.347 52.037 -0.595 0.000 0.665 261 A CB 1.744 20.639 19.000 -0.174 0.000 1.279 261 A HN -0.052 nan 8.150 nan 0.000 0.423 262 S N -0.886 114.916 115.700 0.170 0.000 2.571 262 S HA 0.746 5.216 4.470 -0.000 0.000 0.284 262 S C -0.804 174.023 174.600 0.377 0.000 1.128 262 S CA 0.761 59.187 58.200 0.377 0.000 0.970 262 S CB 1.236 64.638 63.200 0.337 0.000 1.039 262 S HN 1.902 nan 8.310 nan 0.000 0.485 263 D N 2.553 123.247 120.400 0.490 0.000 2.570 263 D HA 0.706 5.346 4.640 -0.000 0.000 0.244 263 D C -0.515 175.903 176.300 0.197 0.000 1.178 263 D CA -0.571 53.599 54.000 0.284 0.000 0.881 263 D CB 1.776 42.633 40.800 0.095 0.000 1.453 263 D HN 0.719 nan 8.370 nan 0.000 0.447 273 L N 0.881 122.033 121.223 -0.119 0.000 2.305 273 L HA 0.654 4.994 4.340 -0.000 0.000 0.284 273 L C -1.287 175.764 176.870 0.301 0.000 1.013 273 L CA -0.487 54.117 54.840 -0.393 0.000 0.819 273 L CB 0.694 42.082 42.059 -1.118 0.000 1.227 273 L HN 0.519 nan 8.230 nan 0.000 0.417 274 W N 4.140 125.511 121.300 0.117 0.000 2.689 274 W HA 0.640 5.300 4.660 -0.000 0.000 0.340 274 W C -0.834 176.041 176.519 0.594 0.000 1.060 274 W CA -0.987 56.567 57.345 0.348 0.000 1.218 274 W CB 1.724 31.301 29.460 0.194 0.000 1.410 274 W HN 0.148 nan 8.180 nan 0.000 0.528 275 L N 4.198 125.866 121.223 0.740 0.000 2.376 275 L HA 0.611 4.951 4.340 -0.000 0.000 0.275 275 L C -1.115 175.930 176.870 0.291 0.000 0.987 275 L CA -0.375 54.801 54.840 0.560 0.000 0.828 275 L CB 0.886 43.356 42.059 0.685 0.000 1.249 275 L HN 0.289 nan 8.230 nan 0.000 0.409 276 I N 4.401 125.055 120.570 0.140 0.000 2.377 276 I HA 0.651 4.820 4.170 -0.000 0.000 0.293 276 I C 0.233 176.270 176.117 -0.133 0.000 0.987 276 I CA -0.086 61.218 61.300 0.007 0.000 1.185 276 I CB 1.934 39.936 38.000 0.004 0.000 1.341 276 I HN 0.736 nan 8.210 nan 0.000 0.455 277 T N 0.335 114.842 114.554 -0.079 0.000 2.778 277 T HA 0.450 4.800 4.350 -0.000 0.000 0.293 277 T C -0.321 174.355 174.700 -0.039 0.000 1.144 277 T CA -0.920 61.101 62.100 -0.133 0.000 1.010 277 T CB 0.764 69.599 68.868 -0.055 0.000 1.325 277 T HN 0.501 nan 8.240 nan 0.000 0.515 278 H N -0.490 118.533 119.070 -0.077 0.000 2.929 278 H HA 0.254 4.810 4.556 -0.000 0.000 0.358 278 H C -1.040 174.161 175.328 -0.212 0.000 1.111 278 H CA -0.100 55.860 56.048 -0.147 0.000 1.409 278 H CB 0.300 29.949 29.762 -0.188 0.000 1.373 278 H HN 0.543 nan 8.280 nan 0.000 0.610 279 Y N 1.545 121.696 120.300 -0.249 0.000 2.360 279 Y HA 0.233 4.783 4.550 -0.000 0.000 0.337 279 Y C -0.867 174.771 175.900 -0.438 0.000 1.039 279 Y CA -0.908 57.037 58.100 -0.258 0.000 1.109 279 Y CB 0.800 39.186 38.460 -0.123 0.000 1.201 279 Y HN 0.629 nan 8.280 nan 0.000 0.458 280 H N 4.434 123.109 119.070 -0.658 0.000 2.708 280 H HA 0.249 4.805 4.556 -0.000 0.000 0.320 280 H C 0.523 175.402 175.328 -0.748 0.000 0.991 280 H CA -0.573 55.162 56.048 -0.521 0.000 1.243 280 H CB 1.602 31.209 29.762 -0.259 0.000 1.446 280 H HN 0.799 nan 8.280 nan 0.000 0.502 281 E N 1.559 121.489 120.200 -0.450 0.000 2.085 281 E HA -0.219 4.131 4.350 -0.000 0.000 0.194 281 E C 0.791 177.327 176.600 -0.107 0.000 0.994 281 E CA 1.164 57.399 56.400 -0.275 0.000 0.801 281 E CB 0.052 29.677 29.700 -0.124 0.000 0.743 281 E HN 0.737 nan 8.360 nan 0.000 0.453 282 H N -0.238 118.798 119.070 -0.058 0.000 2.518 282 H HA -0.017 4.539 4.556 -0.000 0.000 0.289 282 H C 1.274 176.607 175.328 0.008 0.000 1.051 282 H CA 0.004 56.064 56.048 0.019 0.000 1.280 282 H CB 0.087 29.843 29.762 -0.009 0.000 1.380 282 H HN 0.273 nan 8.280 nan 0.000 0.566 283 G N 0.203 109.023 108.800 0.033 0.000 2.553 283 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.242 283 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.242 283 G C 0.154 175.067 174.900 0.021 0.000 1.277 283 G CA -0.106 44.999 45.100 0.007 0.000 0.910 283 G HN 0.547 nan 8.290 nan 0.000 0.576 284 S N -0.702 115.018 115.700 0.033 0.000 2.624 284 S HA 0.490 4.960 4.470 -0.000 0.000 0.263 284 S C 1.513 176.145 174.600 0.053 0.000 1.287 284 S CA 0.315 58.528 58.200 0.022 0.000 0.990 284 S CB 1.470 64.686 63.200 0.026 0.000 0.950 284 S HN 1.765 nan 8.310 nan 0.000 0.561 285 L N 0.526 121.763 121.223 0.023 0.000 2.083 285 L HA -0.016 4.324 4.340 -0.000 0.000 0.209 285 L C 2.118 179.035 176.870 0.079 0.000 1.083 285 L CA 1.741 56.613 54.840 0.052 0.000 0.752 285 L CB -1.397 40.666 42.059 0.006 0.000 0.899 285 L HN 0.864 nan 8.230 nan 0.000 0.433 286 Y N 0.506 120.769 120.300 -0.062 0.000 2.097 286 Y HA -0.316 4.234 4.550 -0.000 0.000 0.282 286 Y C 2.348 178.112 175.900 -0.227 0.000 1.152 286 Y CA 2.300 60.305 58.100 -0.158 0.000 1.136 286 Y CB -0.319 38.082 38.460 -0.098 0.000 0.975 286 Y HN 0.325 nan 8.280 nan 0.000 0.498 287 D N -0.451 119.982 120.400 0.054 0.000 2.104 287 D HA -0.229 4.411 4.640 -0.000 0.000 0.194 287 D C 2.057 178.312 176.300 -0.075 0.000 0.994 287 D CA 1.665 55.656 54.000 -0.014 0.000 0.830 287 D CB -0.762 40.089 40.800 0.085 0.000 0.959 287 D HN 0.402 nan 8.370 nan 0.000 0.452 288 F N 1.658 121.513 119.950 -0.158 0.000 2.102 288 F HA -0.096 4.431 4.527 -0.000 0.000 0.298 288 F C 2.264 177.936 175.800 -0.213 0.000 1.105 288 F CA 1.039 58.932 58.000 -0.178 0.000 1.239 288 F CB -0.332 38.574 39.000 -0.156 0.000 0.991 288 F HN -0.141 nan 8.300 nan 0.000 0.474 289 L N -0.252 120.876 121.223 -0.158 0.000 2.265 289 L HA -0.195 4.145 4.340 -0.000 0.000 0.215 289 L C 2.318 178.962 176.870 -0.378 0.000 1.117 289 L CA 1.033 55.725 54.840 -0.246 0.000 0.782 289 L CB -0.812 41.185 42.059 -0.104 0.000 0.914 289 L HN 0.261 nan 8.230 nan 0.000 0.441 290 Q N 0.639 120.124 119.800 -0.525 0.000 2.016 290 Q HA -0.194 4.146 4.340 -0.000 0.000 0.200 290 Q C 2.628 178.454 176.000 -0.290 0.000 0.978 290 Q CA 2.811 58.331 55.803 -0.471 0.000 0.833 290 Q CB -0.059 28.397 28.738 -0.470 0.000 0.895 290 Q HN 0.419 nan 8.270 nan 0.000 0.427 291 R N -0.439 119.881 120.500 -0.300 0.000 2.112 291 R HA 0.151 4.491 4.340 -0.000 0.000 0.216 291 R C 0.980 177.093 176.300 -0.312 0.000 1.080 291 R CA 0.771 56.717 56.100 -0.256 0.000 0.996 291 R CB -0.401 29.767 30.300 -0.220 0.000 0.902 291 R HN 0.182 nan 8.270 nan 0.000 0.449 292 Q N 0.935 120.446 119.800 -0.482 0.000 2.235 292 Q HA 0.346 4.686 4.340 -0.000 0.000 0.256 292 Q C -0.712 175.054 176.000 -0.391 0.000 0.951 292 Q CA -0.059 55.420 55.803 -0.541 0.000 0.890 292 Q CB 1.918 30.026 28.738 -1.051 0.000 1.279 292 Q HN 0.564 nan 8.270 nan 0.000 0.444 293 T N -0.649 113.744 114.554 -0.269 0.000 2.929 293 T HA 0.743 5.093 4.350 -0.000 0.000 0.284 293 T C -0.009 174.607 174.700 -0.139 0.000 1.014 293 T CA -0.756 61.237 62.100 -0.179 0.000 1.051 293 T CB 0.670 69.460 68.868 -0.131 0.000 1.028 293 T HN 0.385 nan 8.240 nan 0.000 0.485 294 L N 2.018 123.188 121.223 -0.088 0.000 2.305 294 L HA 0.488 4.828 4.340 -0.000 0.000 0.284 294 L C 0.601 177.460 176.870 -0.017 0.000 1.013 294 L CA -1.003 53.819 54.840 -0.029 0.000 0.819 294 L CB 1.475 43.533 42.059 -0.001 0.000 1.227 294 L HN 0.811 nan 8.230 nan 0.000 0.417 295 E N 5.052 125.255 120.200 0.005 0.000 2.415 295 E HA 0.042 4.392 4.350 -0.000 0.000 0.262 295 E C -1.715 174.910 176.600 0.043 0.000 1.038 295 E CA -1.321 55.091 56.400 0.019 0.000 0.921 295 E CB 1.233 30.949 29.700 0.027 0.000 0.950 295 E HN 0.331 nan 8.360 nan 0.000 0.438 296 P HA -0.209 nan 4.420 nan 0.000 0.216 296 P C 0.837 178.174 177.300 0.062 0.000 1.154 296 P CA 1.699 64.819 63.100 0.033 0.000 0.865 296 P CB -0.051 31.663 31.700 0.024 0.000 0.789 297 H N -1.069 117.999 119.070 -0.003 0.000 2.319 297 H HA -0.171 4.385 4.556 -0.000 0.000 0.297 297 H C 1.825 177.158 175.328 0.009 0.000 1.097 297 H CA 1.539 57.589 56.048 0.003 0.000 1.285 297 H CB -0.686 29.078 29.762 0.003 0.000 1.368 297 H HN -0.070 nan 8.280 nan 0.000 0.495 298 L N 0.310 121.653 121.223 0.200 0.000 2.072 298 L HA 0.043 4.383 4.340 -0.000 0.000 0.205 298 L C 2.486 179.401 176.870 0.074 0.000 1.079 298 L CA 1.801 56.728 54.840 0.145 0.000 0.752 298 L CB -1.251 40.891 42.059 0.139 0.000 0.906 298 L HN 0.398 nan 8.230 nan 0.000 0.436 299 A N -0.500 122.351 122.820 0.051 0.000 1.917 299 A HA -0.224 4.096 4.320 -0.000 0.000 0.219 299 A C 2.335 179.919 177.584 0.000 0.000 1.182 299 A CA 2.094 54.143 52.037 0.021 0.000 0.633 299 A CB -0.963 18.036 19.000 -0.002 0.000 0.819 299 A HN 0.491 nan 8.150 nan 0.000 0.448 300 L N -1.079 120.132 121.223 -0.021 0.000 2.109 300 L HA -0.094 4.246 4.340 -0.000 0.000 0.207 300 L C 2.667 179.512 176.870 -0.041 0.000 1.086 300 L CA 1.659 56.474 54.840 -0.043 0.000 0.760 300 L CB -0.546 41.459 42.059 -0.089 0.000 0.910 300 L HN 0.515 nan 8.230 nan 0.000 0.437 301 R N -0.118 120.354 120.500 -0.047 0.000 2.081 301 R HA -0.170 4.170 4.340 -0.000 0.000 0.235 301 R C 2.353 178.651 176.300 -0.005 0.000 1.131 301 R CA 1.285 57.368 56.100 -0.028 0.000 0.960 301 R CB -0.150 30.153 30.300 0.005 0.000 0.856 301 R HN 0.349 nan 8.270 nan 0.000 0.436 302 L N 0.038 121.260 121.223 -0.001 0.000 2.056 302 L HA -0.118 4.222 4.340 -0.000 0.000 0.207 302 L C 2.708 179.592 176.870 0.024 0.000 1.078 302 L CA 1.332 56.168 54.840 -0.007 0.000 0.749 302 L CB -0.498 41.555 42.059 -0.010 0.000 0.901 302 L HN 0.278 nan 8.230 nan 0.000 0.433 303 A N -0.684 122.152 122.820 0.027 0.000 1.902 303 A HA -0.177 4.143 4.320 -0.000 0.000 0.217 303 A C 2.413 180.077 177.584 0.134 0.000 1.181 303 A CA 1.866 53.942 52.037 0.065 0.000 0.623 303 A CB -0.904 18.120 19.000 0.040 0.000 0.818 303 A HN 0.205 nan 8.150 nan 0.000 0.443 304 V N 0.806 120.764 119.914 0.073 0.000 2.358 304 V HA -0.186 3.934 4.120 -0.000 0.000 0.246 304 V C 2.828 178.967 176.094 0.075 0.000 1.047 304 V CA 2.875 65.214 62.300 0.065 0.000 1.035 304 V CB -0.458 31.376 31.823 0.019 0.000 0.658 304 V HN 0.786 nan 8.190 nan 0.000 0.452 305 S N 0.677 116.417 115.700 0.066 0.000 2.371 305 S HA -0.044 4.426 4.470 -0.000 0.000 0.224 305 S C 2.164 176.825 174.600 0.102 0.000 1.029 305 S CA 1.227 59.467 58.200 0.068 0.000 0.978 305 S CB -0.708 62.514 63.200 0.037 0.000 0.833 305 S HN 0.789 nan 8.310 nan 0.000 0.466 306 A N 2.405 125.314 122.820 0.148 0.000 1.908 306 A HA 0.212 4.532 4.320 -0.000 0.000 0.218 306 A C 2.550 180.321 177.584 0.313 0.000 1.181 306 A CA 1.920 54.116 52.037 0.264 0.000 0.627 306 A CB -1.533 17.654 19.000 0.312 0.000 0.818 306 A HN 0.873 nan 8.150 nan 0.000 0.445 307 A N -1.235 121.756 122.820 0.284 0.000 1.972 307 A HA -0.163 4.157 4.320 -0.000 0.000 0.219 307 A C 2.289 179.829 177.584 -0.073 0.000 1.169 307 A CA 1.663 53.700 52.037 0.000 0.000 0.635 307 A CB -1.215 17.773 19.000 -0.020 0.000 0.810 307 A HN 0.600 nan 8.150 nan 0.000 0.446 308 C N -1.136 118.163 119.300 -0.001 0.000 2.446 308 C HA 0.032 4.492 4.460 -0.000 0.000 0.277 308 C C 3.022 177.946 174.990 -0.110 0.000 1.275 308 C CA 0.563 59.563 59.018 -0.028 0.000 1.727 308 C CB -1.562 26.205 27.740 0.044 0.000 2.010 308 C HN 0.704 nan 8.230 nan 0.000 0.486 309 G N 0.306 109.072 108.800 -0.057 0.000 2.514 309 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.217 309 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.217 309 G C 1.497 176.380 174.900 -0.030 0.000 1.198 309 G CA 1.143 46.216 45.100 -0.045 0.000 0.780 309 G HN 0.434 nan 8.290 nan 0.000 0.565 310 L N 1.309 122.485 121.223 -0.079 0.000 2.046 310 L HA 0.173 4.513 4.340 -0.000 0.000 0.208 310 L C 3.156 179.814 176.870 -0.353 0.000 1.077 310 L CA 1.992 56.669 54.840 -0.272 0.000 0.747 310 L CB -0.725 41.018 42.059 -0.527 0.000 0.896 310 L HN 0.269 nan 8.230 nan 0.000 0.432 311 A N -1.560 121.105 122.820 -0.259 0.000 1.908 311 A HA -0.304 4.015 4.320 -0.000 0.000 0.218 311 A C 2.409 179.971 177.584 -0.036 0.000 1.181 311 A CA 1.863 53.808 52.037 -0.154 0.000 0.627 311 A CB -1.088 17.851 19.000 -0.101 0.000 0.818 311 A HN 0.701 nan 8.150 nan 0.000 0.445 312 H N -0.197 118.786 119.070 -0.145 0.000 2.353 312 H HA -0.054 4.502 4.556 -0.000 0.000 0.300 312 H C 1.966 177.272 175.328 -0.037 0.000 1.090 312 H CA 1.701 57.675 56.048 -0.122 0.000 1.327 312 H CB -0.124 29.443 29.762 -0.325 0.000 1.383 312 H HN 0.424 nan 8.280 nan 0.000 0.508 313 L N -0.186 121.011 121.223 -0.043 0.000 2.012 313 L HA -0.227 4.112 4.340 -0.000 0.000 0.210 313 L C 2.671 179.602 176.870 0.101 0.000 1.073 313 L CA 1.524 56.369 54.840 0.008 0.000 0.748 313 L CB -0.658 41.485 42.059 0.140 0.000 0.891 313 L HN 0.461 nan 8.230 nan 0.000 0.431 314 H N -1.769 117.276 119.070 -0.042 0.000 2.395 314 H HA -0.012 4.544 4.556 -0.000 0.000 0.299 314 H C 0.724 176.061 175.328 0.016 0.000 1.070 314 H CA 0.136 56.188 56.048 0.006 0.000 1.356 314 H CB 0.402 30.140 29.762 -0.041 0.000 1.401 314 H HN 0.040 nan 8.280 nan 0.000 0.524 315 V N 2.472 122.440 119.914 0.090 0.000 2.461 315 V HA -0.004 4.116 4.120 -0.000 0.000 0.275 315 V C -0.007 176.055 176.094 -0.054 0.000 1.047 315 V CA -0.331 61.999 62.300 0.050 0.000 0.955 315 V CB 1.161 33.022 31.823 0.064 0.000 0.988 315 V HN 0.330 nan 8.190 nan 0.000 0.471 316 E N 6.046 126.182 120.200 -0.107 0.000 2.299 316 E HA 0.197 4.547 4.350 -0.000 0.000 0.272 316 E C -0.525 175.873 176.600 -0.336 0.000 1.043 316 E CA -0.207 55.965 56.400 -0.380 0.000 0.895 316 E CB 0.628 29.875 29.700 -0.754 0.000 1.011 316 E HN 0.702 nan 8.360 nan 0.000 0.432 317 I N 5.887 126.299 120.570 -0.264 0.000 2.325 317 I HA 0.173 4.343 4.170 -0.000 0.000 0.291 317 I C -0.361 175.651 176.117 -0.174 0.000 1.019 317 I CA -0.311 60.944 61.300 -0.075 0.000 1.302 317 I CB 0.378 38.369 38.000 -0.015 0.000 1.401 317 I HN 0.511 nan 8.210 nan 0.000 0.485 318 F N 3.956 123.897 119.950 -0.015 0.000 2.408 318 F HA 0.791 5.318 4.527 -0.000 0.000 0.325 318 F C 1.047 176.841 175.800 -0.011 0.000 1.082 318 F CA 0.004 57.992 58.000 -0.020 0.000 1.032 318 F CB 1.422 40.414 39.000 -0.014 0.000 1.259 318 F HN 0.598 nan 8.300 nan 0.000 0.503 319 G N 0.170 109.080 108.800 0.183 0.000 2.483 319 G HA2 -0.096 3.863 3.960 -0.000 0.000 0.521 319 G HA3 -0.096 3.863 3.960 -0.000 0.000 0.521 319 G C 0.444 175.374 174.900 0.050 0.000 1.278 319 G CA -0.352 44.808 45.100 0.100 0.000 0.965 319 G HN 0.915 nan 8.290 nan 0.000 0.504 320 T N -1.954 112.622 114.554 0.036 0.000 2.569 320 T HA -0.100 4.250 4.350 -0.000 0.000 0.263 320 T C 1.645 176.350 174.700 0.009 0.000 1.074 320 T CA 2.144 64.255 62.100 0.019 0.000 1.176 320 T CB -0.341 68.538 68.868 0.019 0.000 0.863 320 T HN 0.701 nan 8.240 nan 0.000 0.410 321 Q N 2.221 122.030 119.800 0.016 0.000 2.412 321 Q HA 0.429 4.769 4.340 -0.000 0.000 0.298 321 Q C 0.995 177.000 176.000 0.008 0.000 0.938 321 Q CA -0.561 55.249 55.803 0.011 0.000 0.968 321 Q CB 0.208 28.959 28.738 0.022 0.000 1.187 321 Q HN 0.652 nan 8.270 nan 0.000 0.421 322 G N 1.716 110.510 108.800 -0.009 0.000 2.479 322 G HA2 0.107 4.067 3.960 -0.000 0.000 0.275 322 G HA3 0.107 4.067 3.960 -0.000 0.000 0.275 322 G C -0.225 174.632 174.900 -0.071 0.000 1.421 322 G CA -0.201 44.877 45.100 -0.037 0.000 1.059 322 G HN 0.238 nan 8.290 nan 0.000 0.535 323 K N -0.066 120.252 120.400 -0.137 0.000 2.570 323 K HA 0.258 4.577 4.320 -0.000 0.000 0.256 323 K C -3.165 173.288 176.600 -0.246 0.000 0.939 323 K CA -1.338 54.852 56.287 -0.161 0.000 0.833 323 K CB 2.876 35.299 32.500 -0.129 0.000 1.318 323 K HN 0.294 nan 8.250 nan 0.000 0.433 324 P HA 0.104 nan 4.420 nan 0.000 0.274 324 P C -0.560 176.564 177.300 -0.292 0.000 1.260 324 P CA -0.357 62.550 63.100 -0.321 0.000 0.793 324 P CB 0.517 32.034 31.700 -0.306 0.000 1.048 325 A N 1.204 123.828 122.820 -0.327 0.000 2.440 325 A HA 0.449 4.768 4.320 -0.000 0.000 0.251 325 A C 0.195 177.720 177.584 -0.099 0.000 1.089 325 A CA -0.130 51.796 52.037 -0.184 0.000 0.779 325 A CB -0.822 18.080 19.000 -0.163 0.000 1.022 325 A HN 0.424 nan 8.150 nan 0.000 0.492 326 I N 1.537 122.174 120.570 0.112 0.000 2.498 326 I HA 0.549 4.719 4.170 -0.000 0.000 0.290 326 I C 0.318 176.572 176.117 0.228 0.000 1.032 326 I CA -0.333 61.053 61.300 0.142 0.000 1.073 326 I CB 2.170 40.171 38.000 0.002 0.000 1.251 326 I HN 0.679 nan 8.210 nan 0.000 0.426 327 A N 4.166 127.090 122.820 0.174 0.000 2.317 327 A HA 0.403 4.723 4.320 -0.000 0.000 0.327 327 A C 0.469 178.114 177.584 0.101 0.000 1.178 327 A CA -0.419 51.632 52.037 0.023 0.000 0.817 327 A CB 0.651 19.495 19.000 -0.259 0.000 1.189 327 A HN 0.900 nan 8.150 nan 0.000 0.489 328 H N 2.176 121.325 119.070 0.132 0.000 2.284 328 H HA -0.042 4.514 4.556 -0.000 0.000 0.304 328 H C 1.949 177.341 175.328 0.107 0.000 1.069 328 H CA 3.028 59.161 56.048 0.141 0.000 1.327 328 H CB 0.295 30.212 29.762 0.258 0.000 1.387 328 H HN 1.287 nan 8.280 nan 0.000 0.498 329 R N 0.221 120.924 120.500 0.338 0.000 3.840 329 R HA -0.187 4.153 4.340 -0.000 0.000 0.464 329 R C 0.489 176.981 176.300 0.320 0.000 0.986 329 R CA 1.804 58.057 56.100 0.256 0.000 1.305 329 R CB -2.945 27.407 30.300 0.086 0.000 1.950 329 R HN 0.528 nan 8.270 nan 0.000 0.526 330 D N -1.783 118.933 120.400 0.527 0.000 3.078 330 D HA 0.360 4.999 4.640 -0.000 0.000 0.363 330 D C -0.827 175.606 176.300 0.222 0.000 1.391 330 D CA -0.499 53.724 54.000 0.371 0.000 0.754 330 D CB -0.383 40.584 40.800 0.277 0.000 1.238 330 D HN 0.444 nan 8.370 nan 0.000 0.500 331 F N 2.602 122.539 119.950 -0.022 0.000 2.472 331 F HA 0.341 4.867 4.527 -0.000 0.000 0.364 331 F C 0.385 176.026 175.800 -0.265 0.000 1.090 331 F CA 0.263 58.086 58.000 -0.295 0.000 1.188 331 F CB 0.213 39.136 39.000 -0.127 0.000 1.105 331 F HN 0.007 nan 8.300 nan 0.000 0.536 332 K N 1.639 121.531 120.400 -0.846 0.000 2.615 332 K HA 0.321 4.640 4.320 -0.000 0.000 0.291 332 K C -0.041 176.155 176.600 -0.673 0.000 1.017 332 K CA -0.273 55.456 56.287 -0.929 0.000 0.882 332 K CB 1.087 32.878 32.500 -1.182 0.000 1.522 332 K HN 0.352 nan 8.250 nan 0.000 0.412 333 S N 0.082 115.586 115.700 -0.326 0.000 2.447 333 S HA -0.095 4.374 4.470 -0.000 0.000 0.233 333 S C 1.626 176.173 174.600 -0.089 0.000 1.006 333 S CA 0.687 58.822 58.200 -0.108 0.000 0.957 333 S CB -0.359 62.951 63.200 0.184 0.000 0.773 333 S HN 0.612 nan 8.310 nan 0.000 0.507 334 R N 1.381 121.796 120.500 -0.143 0.000 2.236 334 R HA 0.218 4.558 4.340 -0.000 0.000 0.208 334 R C 0.677 176.870 176.300 -0.178 0.000 1.036 334 R CA 0.716 56.728 56.100 -0.147 0.000 1.001 334 R CB -0.088 30.084 30.300 -0.214 0.000 0.896 334 R HN 0.332 nan 8.270 nan 0.000 0.464 335 N N -0.234 118.313 118.700 -0.254 0.000 2.279 335 N HA 0.089 4.829 4.740 -0.000 0.000 0.226 335 N C -1.197 174.175 175.510 -0.230 0.000 1.126 335 N CA 0.220 53.143 53.050 -0.212 0.000 0.846 335 N CB 1.346 39.718 38.487 -0.191 0.000 1.050 335 N HN -0.121 nan 8.380 nan 0.000 0.502 336 V N 1.555 121.330 119.914 -0.232 0.000 2.531 336 V HA 0.426 4.546 4.120 -0.000 0.000 0.301 336 V C 0.037 176.070 176.094 -0.102 0.000 1.034 336 V CA -0.764 61.433 62.300 -0.172 0.000 0.865 336 V CB 2.258 33.944 31.823 -0.227 0.000 0.995 336 V HN -0.021 nan 8.190 nan 0.000 0.424 337 L N 4.347 125.523 121.223 -0.080 0.000 2.375 337 L HA 0.648 4.988 4.340 -0.000 0.000 0.268 337 L C -0.387 176.377 176.870 -0.178 0.000 1.058 337 L CA -0.698 54.084 54.840 -0.096 0.000 0.803 337 L CB 1.910 43.941 42.059 -0.047 0.000 1.212 337 L HN 0.362 nan 8.230 nan 0.000 0.451 338 V N 1.888 121.683 119.914 -0.199 0.000 2.384 338 V HA 0.327 4.447 4.120 -0.000 0.000 0.287 338 V C 0.059 175.997 176.094 -0.259 0.000 1.020 338 V CA -0.922 61.206 62.300 -0.287 0.000 0.850 338 V CB 1.327 32.849 31.823 -0.503 0.000 0.987 338 V HN 0.640 nan 8.190 nan 0.000 0.436 339 K N 2.241 122.453 120.400 -0.312 0.000 2.117 339 K HA 0.345 4.665 4.320 -0.000 0.000 0.240 339 K C 1.337 177.869 176.600 -0.114 0.000 1.031 339 K CA -0.314 55.807 56.287 -0.276 0.000 0.909 339 K CB 0.514 32.849 32.500 -0.276 0.000 1.097 339 K HN 0.582 nan 8.250 nan 0.000 0.492 340 S N 1.231 116.876 115.700 -0.091 0.000 2.374 340 S HA -0.178 4.292 4.470 -0.000 0.000 0.227 340 S C 1.146 175.741 174.600 -0.009 0.000 1.037 340 S CA 1.967 60.116 58.200 -0.084 0.000 1.024 340 S CB -0.482 62.683 63.200 -0.059 0.000 0.861 340 S HN 0.689 nan 8.310 nan 0.000 0.456 341 N N 1.802 120.491 118.700 -0.019 0.000 2.413 341 N HA 0.136 4.876 4.740 -0.000 0.000 0.207 341 N C 0.115 175.617 175.510 -0.014 0.000 1.206 341 N CA 0.009 53.057 53.050 -0.004 0.000 0.832 341 N CB -1.024 37.460 38.487 -0.006 0.000 1.037 341 N HN 0.365 nan 8.380 nan 0.000 0.467 342 L N -3.046 118.154 121.223 -0.038 0.000 3.737 342 L HA -0.312 4.028 4.340 -0.000 0.000 0.418 342 L C 0.407 177.212 176.870 -0.109 0.000 1.216 342 L CA 0.984 55.757 54.840 -0.111 0.000 0.915 342 L CB -2.741 39.289 42.059 -0.047 0.000 1.834 342 L HN 0.627 nan 8.230 nan 0.000 0.943 343 Q N -0.898 118.841 119.800 -0.101 0.000 2.257 343 Q HA 0.638 4.978 4.340 -0.000 0.000 0.262 343 Q C 0.006 175.933 176.000 -0.121 0.000 0.997 343 Q CA -0.058 55.697 55.803 -0.079 0.000 0.873 343 Q CB 1.864 30.579 28.738 -0.037 0.000 1.312 343 Q HN 0.343 nan 8.270 nan 0.000 0.450 344 C N 0.969 120.222 119.300 -0.079 0.000 2.443 344 C HA 0.846 5.306 4.460 -0.000 0.000 0.369 344 C C 0.792 175.753 174.990 -0.048 0.000 1.241 344 C CA -0.341 58.628 59.018 -0.081 0.000 2.413 344 C CB -0.047 27.680 27.740 -0.022 0.000 2.451 344 C HN 1.139 nan 8.230 nan 0.000 0.595 345 C N 1.352 120.617 119.300 -0.057 0.000 2.782 345 C HA 0.692 5.151 4.460 -0.000 0.000 0.328 345 C C -0.707 174.320 174.990 0.061 0.000 1.145 345 C CA -0.940 58.094 59.018 0.026 0.000 1.358 345 C CB -0.759 27.000 27.740 0.031 0.000 1.841 345 C HN 0.815 nan 8.230 nan 0.000 0.477 346 I N 3.206 123.853 120.570 0.129 0.000 2.529 346 I HA 0.544 4.714 4.170 -0.000 0.000 0.284 346 I C 0.875 177.108 176.117 0.194 0.000 1.082 346 I CA 0.441 61.834 61.300 0.156 0.000 1.406 346 I CB 1.009 39.165 38.000 0.259 0.000 1.405 346 I HN 1.030 nan 8.210 nan 0.000 0.548 347 A N 4.062 126.990 122.820 0.179 0.000 2.387 347 A HA 0.614 4.934 4.320 -0.000 0.000 0.298 347 A C -0.471 177.275 177.584 0.270 0.000 1.165 347 A CA -0.403 51.761 52.037 0.210 0.000 0.814 347 A CB 1.164 20.244 19.000 0.133 0.000 1.357 347 A HN 0.774 nan 8.150 nan 0.000 0.443 348 D N -1.563 118.952 120.400 0.193 0.000 3.830 348 D HA -0.104 4.536 4.640 -0.000 0.000 0.247 348 D C -0.646 175.614 176.300 -0.066 0.000 1.073 348 D CA 0.339 54.412 54.000 0.122 0.000 1.116 348 D CB -1.041 39.825 40.800 0.110 0.000 0.909 348 D HN 0.301 nan 8.370 nan 0.000 0.418 349 L N 1.990 123.146 121.223 -0.112 0.000 2.653 349 L HA 0.368 4.708 4.340 -0.000 0.000 0.232 349 L C 2.503 179.252 176.870 -0.202 0.000 1.169 349 L CA 0.911 55.574 54.840 -0.294 0.000 0.951 349 L CB 0.161 41.996 42.059 -0.373 0.000 1.181 349 L HN 0.502 nan 8.230 nan 0.000 0.460 350 G N -0.717 108.042 108.800 -0.068 0.000 2.470 350 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.220 350 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.220 350 G C 1.323 176.214 174.900 -0.016 0.000 1.121 350 G CA 0.426 45.535 45.100 0.015 0.000 0.766 350 G HN 0.384 nan 8.290 nan 0.000 0.553 351 L N 0.403 121.588 121.223 -0.063 0.000 2.808 351 L HA 0.419 4.759 4.340 -0.000 0.000 0.246 351 L C 1.453 178.252 176.870 -0.118 0.000 1.153 351 L CA -0.569 54.239 54.840 -0.054 0.000 0.956 351 L CB 0.311 42.371 42.059 0.001 0.000 1.270 351 L HN 0.204 nan 8.230 nan 0.000 0.528 352 A N 0.891 123.610 122.820 -0.168 0.000 2.483 352 A HA 0.386 4.706 4.320 -0.000 0.000 0.238 352 A C -0.061 177.428 177.584 -0.157 0.000 1.070 352 A CA -0.007 51.928 52.037 -0.170 0.000 0.770 352 A CB 0.369 19.250 19.000 -0.199 0.000 1.008 352 A HN 0.108 nan 8.150 nan 0.000 0.497 353 V N 0.194 120.027 119.914 -0.136 0.000 2.656 353 V HA 0.823 4.943 4.120 -0.000 0.000 0.307 353 V C -0.418 175.687 176.094 0.018 0.000 1.051 353 V CA -0.880 61.343 62.300 -0.129 0.000 0.893 353 V CB 1.465 33.109 31.823 -0.299 0.000 0.999 353 V HN 0.846 nan 8.190 nan 0.000 0.426 354 M N 4.995 124.531 119.600 -0.106 0.000 2.395 354 M HA 0.590 5.070 4.480 -0.000 0.000 0.307 354 M C -1.027 175.019 176.300 -0.422 0.000 1.091 354 M CA -0.424 54.743 55.300 -0.221 0.000 0.919 354 M CB 2.152 34.622 32.600 -0.217 0.000 1.662 354 M HN 1.006 nan 8.290 nan 0.000 0.440 355 H N 0.909 119.456 119.070 -0.871 0.000 2.768 355 H HA 0.645 5.201 4.556 -0.000 0.000 0.371 355 H C -1.837 173.120 175.328 -0.617 0.000 1.151 355 H CA -0.420 55.108 56.048 -0.867 0.000 1.165 355 H CB 2.046 30.977 29.762 -1.385 0.000 1.722 355 H HN 0.696 nan 8.280 nan 0.000 0.543 356 S N 3.112 118.131 115.700 -1.136 0.000 2.521 356 S HA 0.054 4.524 4.470 -0.000 0.000 0.295 356 S C 1.060 175.112 174.600 -0.914 0.000 1.098 356 S CA -0.709 57.021 58.200 -0.785 0.000 0.999 356 S CB 2.318 65.244 63.200 -0.458 0.000 1.034 356 S HN 0.799 nan 8.310 nan 0.000 0.483 357 Q N 2.867 122.433 119.800 -0.390 0.000 2.096 357 Q HA -0.155 4.185 4.340 -0.000 0.000 0.204 357 Q C 2.092 178.057 176.000 -0.058 0.000 0.982 357 Q CA 2.127 57.906 55.803 -0.040 0.000 0.850 357 Q CB -0.811 28.052 28.738 0.207 0.000 0.901 357 Q HN 1.053 nan 8.270 nan 0.000 0.422 358 G N 0.044 108.797 108.800 -0.079 0.000 2.917 358 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.249 358 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.249 358 G C 0.365 175.241 174.900 -0.041 0.000 1.101 358 G CA 1.368 46.436 45.100 -0.054 0.000 0.732 358 G HN 0.438 nan 8.290 nan 0.000 0.650 359 S N -0.385 115.268 115.700 -0.079 0.000 2.548 359 S HA 0.360 4.830 4.470 -0.000 0.000 0.278 359 S C -1.951 172.659 174.600 0.017 0.000 1.150 359 S CA -0.711 57.483 58.200 -0.010 0.000 0.907 359 S CB 1.635 64.837 63.200 0.004 0.000 1.108 359 S HN 0.355 nan 8.310 nan 0.000 0.459 360 D N 2.784 123.248 120.400 0.106 0.000 2.455 360 D HA 0.343 4.983 4.640 -0.000 0.000 0.234 360 D C -0.485 175.935 176.300 0.201 0.000 1.224 360 D CA 0.132 54.251 54.000 0.199 0.000 0.999 360 D CB -0.277 40.627 40.800 0.172 0.000 1.072 360 D HN 0.403 nan 8.370 nan 0.000 0.514 361 Y N 1.330 121.661 120.300 0.052 0.000 2.570 361 Y HA 0.552 5.102 4.550 -0.000 0.000 0.345 361 Y C -1.932 174.009 175.900 0.068 0.000 1.014 361 Y CA -2.025 56.097 58.100 0.037 0.000 1.063 361 Y CB 1.299 39.751 38.460 -0.014 0.000 1.272 361 Y HN 0.142 nan 8.280 nan 0.000 0.477 362 L N 5.262 126.088 121.223 -0.661 0.000 2.313 362 L HA 0.374 4.714 4.340 -0.000 0.000 0.273 362 L C -0.925 175.485 176.870 -0.768 0.000 1.028 362 L CA -0.303 54.225 54.840 -0.520 0.000 0.871 362 L CB 0.224 42.217 42.059 -0.111 0.000 1.242 362 L HN 0.732 nan 8.230 nan 0.000 0.434 363 D N 5.089 125.036 120.400 -0.755 0.000 2.342 363 D HA 0.395 5.035 4.640 -0.000 0.000 0.260 363 D C -0.393 175.770 176.300 -0.228 0.000 1.278 363 D CA 0.429 54.161 54.000 -0.446 0.000 0.910 363 D CB 0.538 41.156 40.800 -0.304 0.000 1.079 363 D HN 0.469 nan 8.370 nan 0.000 0.496 364 I N 1.508 121.988 120.570 -0.149 0.000 2.619 364 I HA 0.714 4.884 4.170 -0.000 0.000 0.292 364 I C 1.043 177.134 176.117 -0.044 0.000 1.100 364 I CA -0.579 60.650 61.300 -0.118 0.000 1.043 364 I CB 1.392 39.318 38.000 -0.124 0.000 1.239 364 I HN 0.431 nan 8.210 nan 0.000 0.420 365 G N 1.673 110.451 108.800 -0.036 0.000 2.529 365 G HA2 0.316 4.276 3.960 -0.000 0.000 0.277 365 G HA3 0.316 4.276 3.960 -0.000 0.000 0.277 365 G C 0.404 175.329 174.900 0.043 0.000 1.383 365 G CA 0.434 45.549 45.100 0.025 0.000 1.050 365 G HN 0.918 nan 8.290 nan 0.000 0.526 366 N N -0.404 118.338 118.700 0.071 0.000 2.234 366 N HA 0.065 4.805 4.740 -0.000 0.000 0.227 366 N C 0.178 175.719 175.510 0.051 0.000 1.151 366 N CA -0.407 52.675 53.050 0.053 0.000 0.865 366 N CB 0.015 38.530 38.487 0.046 0.000 1.066 366 N HN 0.321 nan 8.380 nan 0.000 0.515 367 N N 1.303 120.038 118.700 0.059 0.000 2.454 367 N HA 0.043 4.782 4.740 -0.000 0.000 0.260 367 N C -1.543 173.999 175.510 0.055 0.000 1.218 367 N CA -0.956 52.134 53.050 0.067 0.000 0.904 367 N CB 1.178 39.709 38.487 0.074 0.000 1.065 367 N HN 0.100 nan 8.380 nan 0.000 0.462 368 P HA 0.002 nan 4.420 nan 0.000 0.225 368 P C 0.201 177.533 177.300 0.054 0.000 1.156 368 P CA 0.673 63.800 63.100 0.046 0.000 0.787 368 P CB 0.091 31.816 31.700 0.042 0.000 0.802 369 R N 1.069 121.614 120.500 0.075 0.000 2.640 369 R HA 0.364 4.704 4.340 -0.000 0.000 0.270 369 R C 0.509 176.857 176.300 0.080 0.000 1.024 369 R CA 0.330 56.482 56.100 0.087 0.000 1.085 369 R CB -1.272 29.098 30.300 0.116 0.000 0.963 369 R HN 0.186 nan 8.270 nan 0.000 0.426 370 V N -0.500 119.465 119.914 0.086 0.000 3.166 370 V HA 0.941 5.061 4.120 -0.000 0.000 0.317 370 V C 0.948 177.118 176.094 0.127 0.000 1.136 370 V CA -0.521 61.837 62.300 0.096 0.000 1.035 370 V CB 1.675 33.546 31.823 0.079 0.000 1.110 370 V HN 1.290 nan 8.190 nan 0.000 0.450 371 G N 0.517 109.408 108.800 0.152 0.000 2.647 371 G HA2 0.355 4.315 3.960 -0.000 0.000 0.234 371 G HA3 0.355 4.315 3.960 -0.000 0.000 0.234 371 G C 0.174 175.189 174.900 0.191 0.000 1.252 371 G CA 0.189 45.400 45.100 0.186 0.000 0.846 371 G HN 1.044 nan 8.290 nan 0.000 0.589 372 T N 1.428 116.105 114.554 0.205 0.000 2.867 372 T HA 0.050 4.400 4.350 -0.000 0.000 0.297 372 T C 1.625 176.491 174.700 0.278 0.000 0.989 372 T CA 0.138 62.373 62.100 0.226 0.000 1.159 372 T CB 1.029 70.031 68.868 0.223 0.000 0.928 372 T HN 0.566 nan 8.240 nan 0.000 0.538 373 K N 2.433 122.968 120.400 0.224 0.000 2.103 373 K HA -0.137 4.183 4.320 -0.000 0.000 0.207 373 K C 2.401 179.102 176.600 0.167 0.000 1.048 373 K CA 1.028 57.430 56.287 0.191 0.000 0.930 373 K CB -0.009 32.584 32.500 0.156 0.000 0.716 373 K HN 0.393 nan 8.250 nan 0.000 0.444 374 R N -0.021 120.603 120.500 0.207 0.000 2.152 374 R HA -0.144 4.196 4.340 -0.000 0.000 0.232 374 R C 0.884 177.248 176.300 0.108 0.000 1.117 374 R CA 1.452 57.622 56.100 0.117 0.000 0.981 374 R CB 0.050 30.422 30.300 0.119 0.000 0.870 374 R HN 0.308 nan 8.270 nan 0.000 0.451 375 Y N -0.863 119.600 120.300 0.271 0.000 2.507 375 Y HA 0.260 4.809 4.550 -0.000 0.000 0.254 375 Y C 0.276 176.434 175.900 0.429 0.000 1.171 375 Y CA -0.522 57.814 58.100 0.394 0.000 1.238 375 Y CB 0.505 39.170 38.460 0.343 0.000 1.148 375 Y HN -0.099 nan 8.280 nan 0.000 0.525 376 M N 1.176 120.986 119.600 0.350 0.000 2.219 376 M HA 0.275 4.755 4.480 -0.000 0.000 0.353 376 M C 0.623 176.842 176.300 -0.135 0.000 1.304 376 M CA -0.264 55.133 55.300 0.161 0.000 1.115 376 M CB 0.621 33.282 32.600 0.101 0.000 1.664 376 M HN 0.231 nan 8.290 nan 0.000 0.459 377 A N 5.759 128.342 122.820 -0.395 0.000 2.386 377 A HA 0.279 4.599 4.320 -0.000 0.000 0.246 377 A C -1.734 175.394 177.584 -0.760 0.000 1.089 377 A CA -1.178 50.170 52.037 -1.147 0.000 0.790 377 A CB -0.433 18.193 19.000 -0.623 0.000 1.042 377 A HN 0.599 nan 8.150 nan 0.000 0.497 378 P HA -0.195 nan 4.420 nan 0.000 0.215 378 P C 1.282 178.412 177.300 -0.284 0.000 1.153 378 P CA 1.685 64.496 63.100 -0.481 0.000 0.853 378 P CB -0.006 31.451 31.700 -0.406 0.000 0.788 379 E N -0.119 119.937 120.200 -0.241 0.000 2.265 379 E HA -0.094 4.256 4.350 -0.000 0.000 0.196 379 E C 1.708 178.259 176.600 -0.081 0.000 0.996 379 E CA 1.174 57.498 56.400 -0.127 0.000 0.832 379 E CB -1.227 28.421 29.700 -0.087 0.000 0.756 379 E HN 0.121 nan 8.360 nan 0.000 0.491 380 V N 1.203 121.064 119.914 -0.088 0.000 2.535 380 V HA -0.130 3.990 4.120 -0.000 0.000 0.246 380 V C 2.510 178.636 176.094 0.053 0.000 1.045 380 V CA 0.990 63.292 62.300 0.004 0.000 1.058 380 V CB -0.389 31.456 31.823 0.036 0.000 0.689 380 V HN 0.139 nan 8.190 nan 0.000 0.461 381 L N -0.268 120.926 121.223 -0.047 0.000 2.156 381 L HA -0.084 4.255 4.340 -0.000 0.000 0.208 381 L C 2.177 178.987 176.870 -0.100 0.000 1.095 381 L CA 1.170 55.945 54.840 -0.109 0.000 0.770 381 L CB -0.540 41.341 42.059 -0.296 0.000 0.914 381 L HN 0.314 nan 8.230 nan 0.000 0.439 382 D N 0.229 120.579 120.400 -0.084 0.000 2.219 382 D HA -0.157 4.482 4.640 -0.000 0.000 0.205 382 D C 0.596 176.911 176.300 0.025 0.000 0.970 382 D CA 0.598 54.569 54.000 -0.049 0.000 0.851 382 D CB 0.029 40.789 40.800 -0.067 0.000 0.943 382 D HN 0.300 nan 8.370 nan 0.000 0.488 383 E N -1.948 118.285 120.200 0.056 0.000 2.637 383 E HA -0.255 4.095 4.350 -0.000 0.000 0.265 383 E C 0.940 177.553 176.600 0.022 0.000 1.073 383 E CA 0.672 57.110 56.400 0.063 0.000 0.778 383 E CB -1.722 28.035 29.700 0.096 0.000 1.362 383 E HN 0.488 nan 8.360 nan 0.000 0.413 384 Q N -0.068 119.731 119.800 -0.003 0.000 2.282 384 Q HA 0.356 4.695 4.340 -0.000 0.000 0.206 384 Q C 0.702 176.687 176.000 -0.024 0.000 0.878 384 Q CA 0.570 56.365 55.803 -0.015 0.000 0.944 384 Q CB 0.229 28.951 28.738 -0.026 0.000 1.100 384 Q HN 0.516 nan 8.270 nan 0.000 0.509 385 I N 1.698 122.250 120.570 -0.031 0.000 2.692 385 I HA 0.245 4.415 4.170 -0.000 0.000 0.284 385 I C -0.389 175.684 176.117 -0.073 0.000 1.159 385 I CA -0.741 60.522 61.300 -0.062 0.000 1.423 385 I CB 1.111 39.054 38.000 -0.094 0.000 1.380 385 I HN 0.296 nan 8.210 nan 0.000 0.580 386 R N 4.767 125.210 120.500 -0.094 0.000 2.272 386 R HA 0.151 4.491 4.340 -0.000 0.000 0.334 386 R C 1.059 177.265 176.300 -0.156 0.000 1.117 386 R CA 0.151 56.202 56.100 -0.082 0.000 0.966 386 R CB -0.216 30.057 30.300 -0.046 0.000 1.049 386 R HN 0.712 nan 8.270 nan 0.000 0.477 387 T N -2.500 112.008 114.554 -0.077 0.000 3.163 387 T HA -0.108 4.242 4.350 -0.000 0.000 0.260 387 T C 0.572 175.331 174.700 0.097 0.000 1.156 387 T CA 0.667 62.764 62.100 -0.004 0.000 1.072 387 T CB -0.212 68.722 68.868 0.111 0.000 0.937 387 T HN 0.556 nan 8.240 nan 0.000 0.528 388 D N -0.268 120.156 120.400 0.039 0.000 2.463 388 D HA 0.246 4.886 4.640 -0.000 0.000 0.224 388 D C -0.173 176.151 176.300 0.040 0.000 1.174 388 D CA -0.793 53.248 54.000 0.069 0.000 0.829 388 D CB -0.761 40.074 40.800 0.057 0.000 0.993 388 D HN 0.375 nan 8.370 nan 0.000 0.497 389 C N 0.329 119.619 119.300 -0.016 0.000 2.364 389 C HA 0.482 4.942 4.460 -0.000 0.000 0.324 389 C C 1.075 176.020 174.990 -0.074 0.000 1.234 389 C CA -1.004 57.980 59.018 -0.056 0.000 1.417 389 C CB -0.749 26.939 27.740 -0.086 0.000 2.101 389 C HN 0.362 nan 8.230 nan 0.000 0.466 390 F N 3.874 123.707 119.950 -0.195 0.000 2.146 390 F HA 0.075 4.602 4.527 -0.000 0.000 0.298 390 F C 2.037 177.645 175.800 -0.321 0.000 1.096 390 F CA 2.722 60.620 58.000 -0.170 0.000 1.275 390 F CB -0.348 38.446 39.000 -0.344 0.000 1.008 390 F HN 0.786 nan 8.300 nan 0.000 0.480 391 E N 0.122 119.997 120.200 -0.543 0.000 2.097 391 E HA -0.222 4.128 4.350 -0.000 0.000 0.196 391 E C 2.182 178.021 176.600 -1.269 0.000 1.000 391 E CA 1.763 57.539 56.400 -1.039 0.000 0.804 391 E CB -1.419 27.663 29.700 -1.030 0.000 0.740 391 E HN 0.538 nan 8.360 nan 0.000 0.454 392 S N 0.040 115.317 115.700 -0.706 0.000 2.368 392 S HA -0.199 4.271 4.470 -0.000 0.000 0.226 392 S C 2.018 176.412 174.600 -0.343 0.000 1.044 392 S CA 1.669 59.684 58.200 -0.309 0.000 1.062 392 S CB -0.588 62.405 63.200 -0.345 0.000 0.931 392 S HN 0.709 nan 8.310 nan 0.000 0.440 393 Y N 1.666 121.750 120.300 -0.360 0.000 2.224 393 Y HA -0.030 4.520 4.550 -0.000 0.000 0.289 393 Y C 2.347 178.035 175.900 -0.355 0.000 1.146 393 Y CA 0.667 58.587 58.100 -0.300 0.000 1.182 393 Y CB -0.366 37.892 38.460 -0.337 0.000 0.983 393 Y HN 0.170 nan 8.280 nan 0.000 0.524 394 K N -1.029 119.033 120.400 -0.563 0.000 2.097 394 K HA -0.204 4.116 4.320 -0.000 0.000 0.206 394 K C 1.783 178.314 176.600 -0.116 0.000 1.049 394 K CA 1.393 57.318 56.287 -0.603 0.000 0.933 394 K CB -0.364 31.541 32.500 -0.991 0.000 0.717 394 K HN 0.353 nan 8.250 nan 0.000 0.442 395 W N 0.993 122.259 121.300 -0.056 0.000 2.425 395 W HA -0.094 4.566 4.660 -0.000 0.000 0.277 395 W C 2.350 178.950 176.519 0.136 0.000 1.231 395 W CA 1.568 58.940 57.345 0.045 0.000 1.248 395 W CB -1.110 28.358 29.460 0.012 0.000 1.117 395 W HN 0.256 nan 8.180 nan 0.000 0.568 396 T N -2.822 111.917 114.554 0.308 0.000 2.942 396 T HA -0.114 4.236 4.350 -0.000 0.000 0.265 396 T C 1.337 176.268 174.700 0.384 0.000 1.062 396 T CA 1.369 63.659 62.100 0.315 0.000 1.139 396 T CB -0.327 68.679 68.868 0.230 0.000 0.883 396 T HN -0.197 nan 8.240 nan 0.000 0.468 397 D N 1.567 122.153 120.400 0.309 0.000 2.123 397 D HA -0.057 4.583 4.640 -0.000 0.000 0.196 397 D C 2.090 178.533 176.300 0.238 0.000 0.992 397 D CA 0.812 54.980 54.000 0.280 0.000 0.833 397 D CB -0.247 40.727 40.800 0.289 0.000 0.954 397 D HN 0.319 nan 8.370 nan 0.000 0.455 398 I N 0.334 121.066 120.570 0.270 0.000 2.142 398 I HA -0.233 3.936 4.170 -0.000 0.000 0.240 398 I C 2.424 178.753 176.117 0.353 0.000 1.078 398 I CA 0.796 62.228 61.300 0.221 0.000 1.343 398 I CB -1.294 36.849 38.000 0.238 0.000 1.046 398 I HN 0.323 nan 8.210 nan 0.000 0.405 399 W N 2.590 124.060 121.300 0.282 0.000 2.289 399 W HA -0.361 4.299 4.660 -0.000 0.000 0.331 399 W C 2.595 179.402 176.519 0.480 0.000 1.283 399 W CA 2.976 60.554 57.345 0.389 0.000 1.252 399 W CB -0.513 29.151 29.460 0.340 0.000 1.153 399 W HN 0.191 nan 8.180 nan 0.000 0.467 400 A N -0.026 123.213 122.820 0.699 0.000 1.986 400 A HA -0.262 4.058 4.320 -0.000 0.000 0.220 400 A C 1.946 179.894 177.584 0.608 0.000 1.171 400 A CA 1.822 54.280 52.037 0.701 0.000 0.640 400 A CB -1.550 17.887 19.000 0.729 0.000 0.811 400 A HN 0.483 nan 8.150 nan 0.000 0.451 401 F N 0.882 120.985 119.950 0.254 0.000 2.113 401 F HA 0.013 4.540 4.527 -0.000 0.000 0.297 401 F C 2.369 178.253 175.800 0.139 0.000 1.103 401 F CA 1.541 59.604 58.000 0.105 0.000 1.248 401 F CB -0.661 38.187 39.000 -0.253 0.000 0.999 401 F HN 0.230 nan 8.300 nan 0.000 0.475 402 G N 0.952 109.884 108.800 0.220 0.000 2.469 402 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.219 402 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.219 402 G C 1.714 176.774 174.900 0.266 0.000 1.150 402 G CA 1.368 46.421 45.100 -0.079 0.000 0.763 402 G HN 0.446 nan 8.290 nan 0.000 0.561 403 L N 0.081 121.558 121.223 0.423 0.000 2.093 403 L HA -0.058 4.282 4.340 -0.000 0.000 0.208 403 L C 2.931 180.020 176.870 0.364 0.000 1.085 403 L CA 0.354 55.391 54.840 0.328 0.000 0.755 403 L CB -0.495 41.642 42.059 0.130 0.000 0.904 403 L HN 0.096 nan 8.230 nan 0.000 0.435 404 V N 0.044 120.145 119.914 0.312 0.000 2.427 404 V HA -0.235 3.885 4.120 -0.000 0.000 0.248 404 V C 2.423 178.552 176.094 0.057 0.000 1.051 404 V CA 1.288 63.710 62.300 0.204 0.000 1.048 404 V CB -0.244 31.664 31.823 0.141 0.000 0.666 404 V HN 0.335 nan 8.190 nan 0.000 0.456 405 L N -1.471 119.713 121.223 -0.066 0.000 2.012 405 L HA -0.236 4.104 4.340 -0.000 0.000 0.210 405 L C 2.328 179.239 176.870 0.068 0.000 1.073 405 L CA 2.372 57.169 54.840 -0.071 0.000 0.748 405 L CB -0.580 41.412 42.059 -0.112 0.000 0.891 405 L HN 0.522 nan 8.230 nan 0.000 0.431 406 W N 1.537 122.845 121.300 0.013 0.000 2.302 406 W HA -0.276 4.384 4.660 -0.000 0.000 0.320 406 W C 2.475 178.989 176.519 -0.008 0.000 1.241 406 W CA 2.163 59.534 57.345 0.044 0.000 1.264 406 W CB -0.145 29.386 29.460 0.117 0.000 1.154 406 W HN 0.126 nan 8.180 nan 0.000 0.483 407 E N -0.177 120.169 120.200 0.243 0.000 2.085 407 E HA -0.271 4.079 4.350 -0.000 0.000 0.194 407 E C 2.104 178.666 176.600 -0.063 0.000 0.994 407 E CA 1.939 58.377 56.400 0.063 0.000 0.801 407 E CB -0.549 29.335 29.700 0.306 0.000 0.743 407 E HN 0.412 nan 8.360 nan 0.000 0.453 408 I N 1.019 121.576 120.570 -0.021 0.000 2.202 408 I HA -0.248 3.922 4.170 -0.000 0.000 0.242 408 I C 2.609 178.655 176.117 -0.119 0.000 1.091 408 I CA 0.882 62.158 61.300 -0.040 0.000 1.368 408 I CB -0.366 37.620 38.000 -0.023 0.000 1.058 408 I HN 0.077 nan 8.210 nan 0.000 0.410 409 A N 0.964 123.683 122.820 -0.168 0.000 1.883 409 A HA -0.275 4.045 4.320 -0.000 0.000 0.217 409 A C 2.430 179.835 177.584 -0.298 0.000 1.186 409 A CA 2.002 53.916 52.037 -0.204 0.000 0.624 409 A CB -0.760 18.122 19.000 -0.195 0.000 0.822 409 A HN 0.372 nan 8.150 nan 0.000 0.444 410 R N -1.078 119.115 120.500 -0.511 0.000 2.139 410 R HA -0.143 4.197 4.340 -0.000 0.000 0.243 410 R C 1.787 177.886 176.300 -0.335 0.000 1.145 410 R CA 1.788 57.551 56.100 -0.561 0.000 0.976 410 R CB -0.123 29.616 30.300 -0.936 0.000 0.866 410 R HN 0.294 nan 8.270 nan 0.000 0.449 411 R N 0.204 120.555 120.500 -0.249 0.000 2.388 411 R HA 0.121 4.460 4.340 -0.000 0.000 0.247 411 R C -0.741 175.484 176.300 -0.125 0.000 0.931 411 R CA 0.249 56.253 56.100 -0.160 0.000 1.082 411 R CB 0.361 30.600 30.300 -0.101 0.000 1.135 411 R HN 0.100 nan 8.270 nan 0.000 0.525 412 T N 0.154 114.632 114.554 -0.126 0.000 2.909 412 T HA 0.392 4.742 4.350 -0.000 0.000 0.286 412 T C 0.284 174.934 174.700 -0.083 0.000 1.002 412 T CA -0.514 61.534 62.100 -0.088 0.000 1.074 412 T CB 1.637 70.459 68.868 -0.077 0.000 0.984 412 T HN -0.028 nan 8.240 nan 0.000 0.495 413 I N 2.314 122.848 120.570 -0.061 0.000 2.352 413 I HA 0.387 4.557 4.170 -0.000 0.000 0.290 413 I C -0.186 175.905 176.117 -0.045 0.000 1.036 413 I CA -0.400 60.867 61.300 -0.055 0.000 1.336 413 I CB 0.783 38.755 38.000 -0.047 0.000 1.407 413 I HN 0.235 nan 8.210 nan 0.000 0.497 414 V N 6.518 126.404 119.914 -0.047 0.000 2.735 414 V HA 0.307 4.427 4.120 -0.000 0.000 0.310 414 V C 0.170 176.245 176.094 -0.032 0.000 1.061 414 V CA -0.697 61.581 62.300 -0.037 0.000 0.913 414 V CB 1.915 33.714 31.823 -0.040 0.000 1.005 414 V HN 0.884 nan 8.190 nan 0.000 0.428 415 N N 3.677 122.362 118.700 -0.025 0.000 2.639 415 N HA -0.245 4.495 4.740 -0.000 0.000 0.247 415 N C 1.162 176.658 175.510 -0.025 0.000 1.113 415 N CA 1.741 54.778 53.050 -0.022 0.000 0.740 415 N CB -1.063 37.413 38.487 -0.020 0.000 1.032 415 N HN 1.526 nan 8.380 nan 0.000 0.547 416 G N -1.773 107.010 108.800 -0.029 0.000 2.162 416 G HA2 -0.323 3.636 3.960 -0.000 0.000 0.260 416 G HA3 -0.323 3.636 3.960 -0.000 0.000 0.260 416 G C 0.091 174.969 174.900 -0.037 0.000 0.976 416 G CA 0.527 45.608 45.100 -0.032 0.000 0.655 416 G HN 0.538 nan 8.290 nan 0.000 0.533 417 I N -0.342 120.204 120.570 -0.040 0.000 2.525 417 I HA 0.738 4.908 4.170 -0.000 0.000 0.301 417 I C -0.145 175.937 176.117 -0.059 0.000 0.992 417 I CA -1.309 59.964 61.300 -0.045 0.000 1.162 417 I CB 2.135 40.111 38.000 -0.039 0.000 1.332 417 I HN -0.009 nan 8.210 nan 0.000 0.458 418 V N 5.285 125.158 119.914 -0.068 0.000 2.711 418 V HA 0.309 4.429 4.120 -0.000 0.000 0.304 418 V C -0.450 175.584 176.094 -0.099 0.000 1.097 418 V CA -0.428 61.819 62.300 -0.089 0.000 0.906 418 V CB 2.114 33.883 31.823 -0.091 0.000 1.015 418 V HN 0.723 nan 8.190 nan 0.000 0.427 419 E N 3.247 123.371 120.200 -0.127 0.000 2.383 419 E HA 0.287 4.637 4.350 -0.000 0.000 0.264 419 E C 0.316 176.826 176.600 -0.150 0.000 1.050 419 E CA 0.658 56.974 56.400 -0.140 0.000 0.896 419 E CB 0.904 30.493 29.700 -0.184 0.000 0.982 419 E HN 0.965 nan 8.360 nan 0.000 0.424 420 D N 1.474 121.794 120.400 -0.133 0.000 2.382 420 D HA 0.027 4.667 4.640 -0.000 0.000 0.240 420 D C -0.153 176.051 176.300 -0.160 0.000 1.146 420 D CA -0.110 53.822 54.000 -0.115 0.000 0.897 420 D CB 0.181 40.930 40.800 -0.084 0.000 1.197 420 D HN 0.424 nan 8.370 nan 0.000 0.432 421 Y N 0.506 120.676 120.300 -0.216 0.000 2.620 421 Y HA 0.406 4.956 4.550 -0.000 0.000 0.330 421 Y C 0.774 176.528 175.900 -0.245 0.000 1.186 421 Y CA 0.951 58.905 58.100 -0.243 0.000 1.467 421 Y CB 0.073 38.382 38.460 -0.251 0.000 1.262 421 Y HN 0.838 nan 8.280 nan 0.000 0.550 422 R N 6.602 126.438 120.500 -1.106 0.000 2.725 422 R HA 0.626 4.966 4.340 -0.000 0.000 0.277 422 R C -3.243 172.547 176.300 -0.850 0.000 0.987 422 R CA -1.794 53.768 56.100 -0.897 0.000 0.901 422 R CB 0.549 30.134 30.300 -1.192 0.000 1.207 422 R HN 0.594 nan 8.270 nan 0.000 0.463 423 P HA 0.358 nan 4.420 nan 0.000 0.276 423 P C -2.706 174.676 177.300 0.137 0.000 1.252 423 P CA -1.746 61.411 63.100 0.094 0.000 0.802 423 P CB 0.289 32.164 31.700 0.292 0.000 1.035 424 P HA 0.055 nan 4.420 nan 0.000 0.266 424 P C -0.258 176.861 177.300 -0.301 0.000 1.195 424 P CA 0.446 63.211 63.100 -0.558 0.000 0.768 424 P CB -0.343 30.984 31.700 -0.623 0.000 0.838 425 F N -0.441 119.251 119.950 -0.430 0.000 3.034 425 F HA -0.273 4.253 4.527 -0.000 0.000 0.286 425 F C 1.419 177.113 175.800 -0.178 0.000 0.804 425 F CA 0.808 58.620 58.000 -0.312 0.000 1.161 425 F CB -3.079 35.765 39.000 -0.260 0.000 1.317 425 F HN 0.454 nan 8.300 nan 0.000 0.453 426 Y N 0.607 120.878 120.300 -0.049 0.000 2.298 426 Y HA -0.176 4.373 4.550 -0.000 0.000 0.287 426 Y C 1.889 177.801 175.900 0.020 0.000 1.164 426 Y CA 1.514 59.624 58.100 0.016 0.000 1.229 426 Y CB -0.582 37.894 38.460 0.027 0.000 0.977 426 Y HN 0.310 nan 8.280 nan 0.000 0.538 427 D N 0.276 120.255 120.400 -0.701 0.000 2.350 427 D HA 0.045 4.685 4.640 -0.000 0.000 0.213 427 D C 1.378 177.535 176.300 -0.237 0.000 1.031 427 D CA 0.985 54.655 54.000 -0.550 0.000 0.861 427 D CB 0.021 40.375 40.800 -0.743 0.000 0.926 427 D HN 0.470 nan 8.370 nan 0.000 0.520 428 V N -0.320 119.507 119.914 -0.146 0.000 3.451 428 V HA 0.398 4.517 4.120 -0.000 0.000 0.288 428 V C 0.637 176.697 176.094 -0.056 0.000 1.502 428 V CA 0.737 62.990 62.300 -0.079 0.000 1.026 428 V CB 0.673 32.468 31.823 -0.047 0.000 0.840 428 V HN 0.113 nan 8.190 nan 0.000 0.437 429 V N -2.945 116.952 119.914 -0.028 0.000 3.007 429 V HA 0.869 4.989 4.120 -0.000 0.000 0.311 429 V C -2.909 173.196 176.094 0.019 0.000 1.120 429 V CA -2.091 60.196 62.300 -0.021 0.000 0.980 429 V CB 1.610 33.406 31.823 -0.046 0.000 1.033 429 V HN 0.153 nan 8.190 nan 0.000 0.429 430 P HA 0.186 nan 4.420 nan 0.000 0.274 430 P C 0.713 178.054 177.300 0.068 0.000 1.260 430 P CA 0.123 63.248 63.100 0.043 0.000 0.793 430 P CB 0.572 32.292 31.700 0.032 0.000 1.048 431 N N 0.474 119.222 118.700 0.080 0.000 2.027 431 N HA -0.207 4.533 4.740 -0.000 0.000 0.200 431 N C -0.080 175.493 175.510 0.106 0.000 1.042 431 N CA 1.882 54.994 53.050 0.103 0.000 0.871 431 N CB -0.510 38.033 38.487 0.094 0.000 1.063 431 N HN 0.297 nan 8.380 nan 0.000 0.438 432 D N 0.923 121.374 120.400 0.085 0.000 2.460 432 D HA 0.321 4.960 4.640 -0.000 0.000 0.232 432 D C -2.332 174.011 176.300 0.072 0.000 1.079 432 D CA -1.157 52.895 54.000 0.086 0.000 0.864 432 D CB 1.484 42.330 40.800 0.075 0.000 1.048 432 D HN 0.387 nan 8.370 nan 0.000 0.523 433 P HA 0.125 nan 4.420 nan 0.000 0.281 433 P C -0.133 177.198 177.300 0.051 0.000 1.249 433 P CA -0.529 62.595 63.100 0.040 0.000 0.810 433 P CB 1.002 32.708 31.700 0.010 0.000 1.008 434 S N 1.419 117.141 115.700 0.037 0.000 2.586 434 S HA 0.181 4.650 4.470 -0.000 0.000 0.274 434 S C 1.034 175.684 174.600 0.084 0.000 1.281 434 S CA -0.579 57.665 58.200 0.073 0.000 1.035 434 S CB 0.136 63.374 63.200 0.063 0.000 0.962 434 S HN 0.400 nan 8.310 nan 0.000 0.512 435 F N 2.767 122.711 119.950 -0.010 0.000 2.111 435 F HA -0.161 4.366 4.527 -0.000 0.000 0.300 435 F C 2.548 178.325 175.800 -0.040 0.000 1.088 435 F CA 2.837 60.826 58.000 -0.020 0.000 1.243 435 F CB -1.020 37.976 39.000 -0.006 0.000 0.996 435 F HN 0.851 nan 8.300 nan 0.000 0.483 436 E N 0.046 120.236 120.200 -0.016 0.000 2.107 436 E HA -0.166 4.184 4.350 -0.000 0.000 0.191 436 E C 1.808 178.314 176.600 -0.156 0.000 0.982 436 E CA 1.425 57.748 56.400 -0.127 0.000 0.809 436 E CB -1.119 28.585 29.700 0.008 0.000 0.756 436 E HN 0.551 nan 8.360 nan 0.000 0.459 437 D N 0.028 120.368 120.400 -0.100 0.000 2.104 437 D HA -0.143 4.497 4.640 -0.000 0.000 0.194 437 D C 2.005 178.191 176.300 -0.191 0.000 0.994 437 D CA 1.527 55.458 54.000 -0.114 0.000 0.830 437 D CB -0.131 40.627 40.800 -0.070 0.000 0.959 437 D HN 0.300 nan 8.370 nan 0.000 0.452 438 M N 0.365 119.828 119.600 -0.228 0.000 2.200 438 M HA -0.056 4.423 4.480 -0.000 0.000 0.265 438 M C 2.108 178.194 176.300 -0.357 0.000 1.066 438 M CA 0.849 55.958 55.300 -0.319 0.000 1.127 438 M CB -0.799 31.637 32.600 -0.273 0.000 1.379 438 M HN -0.039 nan 8.290 nan 0.000 0.420 439 K N 0.753 120.906 120.400 -0.411 0.000 2.074 439 K HA -0.229 4.091 4.320 -0.000 0.000 0.209 439 K C 2.138 178.573 176.600 -0.275 0.000 1.048 439 K CA 1.712 57.753 56.287 -0.410 0.000 0.926 439 K CB -0.032 32.146 32.500 -0.537 0.000 0.713 439 K HN 0.204 nan 8.250 nan 0.000 0.444 440 K N 0.188 120.450 120.400 -0.230 0.000 2.026 440 K HA -0.126 4.194 4.320 -0.000 0.000 0.208 440 K C 1.878 178.380 176.600 -0.163 0.000 1.048 440 K CA 1.548 57.736 56.287 -0.165 0.000 0.929 440 K CB -0.019 32.403 32.500 -0.131 0.000 0.713 440 K HN -0.002 nan 8.250 nan 0.000 0.439 441 V N 0.624 120.416 119.914 -0.204 0.000 2.307 441 V HA -0.186 3.934 4.120 -0.000 0.000 0.245 441 V C 2.269 178.241 176.094 -0.203 0.000 1.045 441 V CA 1.482 63.657 62.300 -0.207 0.000 1.024 441 V CB 0.108 31.753 31.823 -0.297 0.000 0.651 441 V HN 0.201 nan 8.190 nan 0.000 0.449 442 V N -1.627 118.124 119.914 -0.271 0.000 2.535 442 V HA -0.137 3.982 4.120 -0.000 0.000 0.246 442 V C 2.204 178.213 176.094 -0.141 0.000 1.045 442 V CA 1.773 63.953 62.300 -0.199 0.000 1.058 442 V CB 0.012 31.672 31.823 -0.272 0.000 0.689 442 V HN 0.614 nan 8.190 nan 0.000 0.461 443 C N -1.040 118.158 119.300 -0.170 0.000 2.587 443 C HA 0.111 4.571 4.460 -0.000 0.000 0.287 443 C C 2.609 177.540 174.990 -0.100 0.000 1.374 443 C CA 0.342 59.278 59.018 -0.138 0.000 1.770 443 C CB -0.192 27.449 27.740 -0.165 0.000 2.137 443 C HN 0.372 nan 8.230 nan 0.000 0.550 444 V N 1.779 121.629 119.914 -0.107 0.000 2.270 444 V HA -0.151 3.968 4.120 -0.000 0.000 0.245 444 V C 1.685 177.742 176.094 -0.062 0.000 1.043 444 V CA 2.214 64.467 62.300 -0.079 0.000 1.014 444 V CB -0.825 30.949 31.823 -0.082 0.000 0.645 444 V HN 0.428 nan 8.190 nan 0.000 0.447 445 D N -0.934 119.425 120.400 -0.069 0.000 2.355 445 D HA 0.030 4.669 4.640 -0.000 0.000 0.218 445 D C 1.371 177.652 176.300 -0.032 0.000 1.004 445 D CA 0.403 54.373 54.000 -0.050 0.000 0.880 445 D CB -0.215 40.550 40.800 -0.058 0.000 0.911 445 D HN 0.487 nan 8.370 nan 0.000 0.528 446 Q N 0.470 120.251 119.800 -0.031 0.000 2.453 446 Q HA -0.204 4.136 4.340 -0.000 0.000 0.294 446 Q C -0.767 175.251 176.000 0.029 0.000 1.295 446 Q CA 0.495 56.300 55.803 0.004 0.000 0.853 446 Q CB -0.908 27.837 28.738 0.012 0.000 1.193 446 Q HN 0.197 nan 8.270 nan 0.000 0.461 447 Q N 0.277 120.092 119.800 0.026 0.000 2.299 447 Q HA 0.482 4.822 4.340 -0.000 0.000 0.246 447 Q C 0.283 176.344 176.000 0.101 0.000 0.935 447 Q CA 0.793 56.624 55.803 0.047 0.000 0.887 447 Q CB 1.545 30.318 28.738 0.060 0.000 1.223 447 Q HN 0.478 nan 8.270 nan 0.000 0.439 448 T N -1.617 112.893 114.554 -0.074 0.000 2.883 448 T HA 0.614 4.964 4.350 -0.000 0.000 0.296 448 T C -2.658 171.641 174.700 -0.668 0.000 1.117 448 T CA -2.179 59.666 62.100 -0.425 0.000 1.006 448 T CB 1.291 69.853 68.868 -0.510 0.000 1.191 448 T HN 0.182 nan 8.240 nan 0.000 0.508 449 P HA 0.242 nan 4.420 nan 0.000 0.268 449 P C -0.213 176.794 177.300 -0.488 0.000 1.204 449 P CA -0.093 62.312 63.100 -1.159 0.000 0.768 449 P CB -0.000 30.519 31.700 -1.969 0.000 0.842 450 T N 4.215 118.655 114.554 -0.190 0.000 2.853 450 T HA 0.150 4.500 4.350 -0.000 0.000 0.298 450 T C 0.653 175.494 174.700 0.236 0.000 0.978 450 T CA 0.165 62.284 62.100 0.032 0.000 1.152 450 T CB -0.336 68.563 68.868 0.052 0.000 0.914 450 T HN 0.141 nan 8.240 nan 0.000 0.539 451 I N 7.046 127.739 120.570 0.205 0.000 2.363 451 I HA 0.233 4.402 4.170 -0.000 0.000 0.292 451 I C -1.809 174.388 176.117 0.133 0.000 1.075 451 I CA -2.007 59.429 61.300 0.228 0.000 1.333 451 I CB 0.150 38.268 38.000 0.196 0.000 1.415 451 I HN 0.403 nan 8.210 nan 0.000 0.502 452 P HA 0.122 nan 4.420 nan 0.000 0.268 452 P C 0.246 177.568 177.300 0.037 0.000 1.205 452 P CA -0.140 62.994 63.100 0.057 0.000 0.771 452 P CB 0.527 32.240 31.700 0.021 0.000 0.858 453 N N 1.877 120.595 118.700 0.029 0.000 2.364 453 N HA -0.156 4.584 4.740 -0.000 0.000 0.183 453 N C 1.637 177.152 175.510 0.009 0.000 1.022 453 N CA 0.682 53.745 53.050 0.020 0.000 0.883 453 N CB -0.441 38.056 38.487 0.017 0.000 0.965 453 N HN 0.468 nan 8.380 nan 0.000 0.438 454 R N 0.773 121.275 120.500 0.002 0.000 2.120 454 R HA -0.079 4.260 4.340 -0.000 0.000 0.234 454 R C 1.483 177.776 176.300 -0.013 0.000 1.123 454 R CA 0.869 56.963 56.100 -0.009 0.000 0.975 454 R CB -0.394 29.896 30.300 -0.018 0.000 0.866 454 R HN 0.098 nan 8.270 nan 0.000 0.446 455 L N 1.424 122.640 121.223 -0.012 0.000 2.042 455 L HA -0.179 4.161 4.340 -0.000 0.000 0.210 455 L C 2.750 179.614 176.870 -0.010 0.000 1.076 455 L CA 2.093 56.923 54.840 -0.016 0.000 0.749 455 L CB -0.777 41.276 42.059 -0.009 0.000 0.893 455 L HN 0.320 nan 8.230 nan 0.000 0.432 456 A N -0.121 122.698 122.820 -0.002 0.000 1.877 456 A HA -0.364 3.956 4.320 -0.000 0.000 0.218 456 A C 2.394 179.975 177.584 -0.004 0.000 1.301 456 A CA 2.700 54.737 52.037 -0.001 0.000 0.699 456 A CB -1.491 17.511 19.000 0.004 0.000 0.844 456 A HN 0.444 nan 8.150 nan 0.000 0.464 457 A N -1.004 121.814 122.820 -0.004 0.000 2.266 457 A HA 0.179 4.499 4.320 -0.000 0.000 0.219 457 A C 1.090 178.669 177.584 -0.008 0.000 1.178 457 A CA 2.009 54.043 52.037 -0.005 0.000 0.678 457 A CB -1.866 17.131 19.000 -0.006 0.000 0.789 457 A HN 1.041 nan 8.150 nan 0.000 0.486 458 D N -0.021 120.373 120.400 -0.011 0.000 2.373 458 D HA 0.457 5.096 4.640 -0.000 0.000 0.227 458 D C -1.220 175.074 176.300 -0.011 0.000 1.091 458 D CA -1.391 52.602 54.000 -0.012 0.000 0.840 458 D CB 0.550 41.339 40.800 -0.019 0.000 1.060 458 D HN 0.167 nan 8.370 nan 0.000 0.502 459 P HA -0.183 nan 4.420 nan 0.000 0.215 459 P C 1.763 179.056 177.300 -0.011 0.000 1.157 459 P CA 0.736 63.831 63.100 -0.008 0.000 0.874 459 P CB 0.339 32.037 31.700 -0.004 0.000 0.790 460 V N 0.165 120.072 119.914 -0.013 0.000 2.323 460 V HA -0.171 3.949 4.120 -0.000 0.000 0.244 460 V C 2.806 178.886 176.094 -0.023 0.000 1.041 460 V CA 1.430 63.719 62.300 -0.018 0.000 1.025 460 V CB -1.187 30.626 31.823 -0.017 0.000 0.656 460 V HN -0.009 nan 8.190 nan 0.000 0.451 461 L N 0.085 121.293 121.223 -0.024 0.000 2.201 461 L HA -0.134 4.206 4.340 -0.000 0.000 0.212 461 L C 2.669 179.522 176.870 -0.028 0.000 1.105 461 L CA 1.638 56.459 54.840 -0.032 0.000 0.775 461 L CB -0.704 41.332 42.059 -0.038 0.000 0.913 461 L HN 0.436 nan 8.230 nan 0.000 0.440 462 S N 0.529 116.216 115.700 -0.021 0.000 2.355 462 S HA -0.125 4.345 4.470 -0.000 0.000 0.222 462 S C 2.128 176.715 174.600 -0.022 0.000 1.031 462 S CA 1.319 59.508 58.200 -0.017 0.000 0.993 462 S CB -0.493 62.700 63.200 -0.011 0.000 0.859 462 S HN 0.470 nan 8.310 nan 0.000 0.453 463 G N 2.050 110.837 108.800 -0.022 0.000 2.505 463 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.220 463 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.220 463 G C 1.459 176.338 174.900 -0.036 0.000 1.145 463 G CA 1.197 46.283 45.100 -0.024 0.000 0.761 463 G HN 0.541 nan 8.290 nan 0.000 0.571 464 L N 0.473 121.674 121.223 -0.037 0.000 2.093 464 L HA -0.041 4.299 4.340 -0.000 0.000 0.208 464 L C 3.435 180.257 176.870 -0.080 0.000 1.085 464 L CA 0.963 55.773 54.840 -0.050 0.000 0.755 464 L CB -0.607 41.428 42.059 -0.042 0.000 0.904 464 L HN 0.326 nan 8.230 nan 0.000 0.435 465 A N -0.124 122.661 122.820 -0.058 0.000 1.908 465 A HA -0.293 4.026 4.320 -0.000 0.000 0.218 465 A C 2.237 179.767 177.584 -0.091 0.000 1.181 465 A CA 2.011 54.017 52.037 -0.053 0.000 0.627 465 A CB -0.520 18.472 19.000 -0.013 0.000 0.818 465 A HN 0.386 nan 8.150 nan 0.000 0.445 466 Q N -0.702 119.053 119.800 -0.075 0.000 2.119 466 Q HA -0.009 4.331 4.340 -0.000 0.000 0.201 466 Q C 1.977 177.890 176.000 -0.146 0.000 0.972 466 Q CA 1.883 57.639 55.803 -0.079 0.000 0.847 466 Q CB -0.386 28.328 28.738 -0.039 0.000 0.903 466 Q HN 0.671 nan 8.270 nan 0.000 0.433 467 M N -1.051 118.459 119.600 -0.151 0.000 2.175 467 M HA -0.138 4.342 4.480 -0.000 0.000 0.264 467 M C 2.047 178.125 176.300 -0.370 0.000 1.063 467 M CA 1.286 56.470 55.300 -0.194 0.000 1.119 467 M CB -0.112 32.421 32.600 -0.112 0.000 1.377 467 M HN 0.322 nan 8.290 nan 0.000 0.415 468 M N -0.617 118.706 119.600 -0.461 0.000 2.073 468 M HA -0.272 4.208 4.480 -0.000 0.000 0.258 468 M C 2.169 177.750 176.300 -1.197 0.000 1.070 468 M CA 1.777 56.488 55.300 -0.981 0.000 1.103 468 M CB -0.515 31.607 32.600 -0.797 0.000 1.321 468 M HN 0.182 nan 8.290 nan 0.000 0.405 469 R N 0.255 120.404 120.500 -0.584 0.000 2.117 469 R HA -0.166 4.174 4.340 -0.000 0.000 0.243 469 R C 1.574 177.479 176.300 -0.658 0.000 1.143 469 R CA 1.405 57.297 56.100 -0.348 0.000 0.968 469 R CB -0.559 29.659 30.300 -0.137 0.000 0.863 469 R HN 0.601 nan 8.270 nan 0.000 0.444 470 E N -0.685 119.086 120.200 -0.714 0.000 2.489 470 E HA -0.014 4.335 4.350 -0.000 0.000 0.193 470 E C 1.440 177.643 176.600 -0.662 0.000 1.057 470 E CA 0.038 55.844 56.400 -0.990 0.000 0.866 470 E CB 0.202 29.695 29.700 -0.346 0.000 0.916 470 E HN 0.283 nan 8.360 nan 0.000 0.500 471 C N 0.088 119.032 119.300 -0.593 0.000 2.634 471 C HA 0.046 4.506 4.460 -0.000 0.000 0.268 471 C C 1.095 176.008 174.990 -0.129 0.000 1.322 471 C CA -0.342 58.457 59.018 -0.365 0.000 1.737 471 C CB -0.568 26.869 27.740 -0.504 0.000 1.976 471 C HN 0.578 nan 8.230 nan 0.000 0.547 472 W N -0.614 120.549 121.300 -0.229 0.000 2.991 472 W HA 0.373 5.033 4.660 -0.000 0.000 0.391 472 W C -0.136 176.485 176.519 0.170 0.000 1.054 472 W CA -1.293 56.000 57.345 -0.086 0.000 1.856 472 W CB -1.275 27.984 29.460 -0.335 0.000 1.132 472 W HN 0.253 nan 8.180 nan 0.000 0.601 473 Y N 2.509 122.997 120.300 0.314 0.000 2.620 473 Y HA 0.040 4.590 4.550 -0.000 0.000 0.330 473 Y C -0.853 175.173 175.900 0.210 0.000 1.186 473 Y CA -1.789 56.429 58.100 0.198 0.000 1.467 473 Y CB -0.369 38.135 38.460 0.072 0.000 1.262 473 Y HN -0.173 nan 8.280 nan 0.000 0.550 474 P HA -0.173 nan 4.420 nan 0.000 0.217 474 P C 0.146 177.479 177.300 0.055 0.000 1.150 474 P CA 1.295 64.489 63.100 0.158 0.000 0.832 474 P CB 0.200 31.961 31.700 0.102 0.000 0.787 475 N N -0.057 118.658 118.700 0.025 0.000 2.402 475 N HA 0.038 4.778 4.740 -0.000 0.000 0.252 475 N C -1.734 173.679 175.510 -0.160 0.000 1.118 475 N CA -1.386 51.614 53.050 -0.085 0.000 0.945 475 N CB 0.968 39.383 38.487 -0.121 0.000 1.147 475 N HN -0.106 nan 8.380 nan 0.000 0.495 476 P HA -0.149 nan 4.420 nan 0.000 0.216 476 P C 1.162 177.773 177.300 -1.149 0.000 1.150 476 P CA 1.317 64.147 63.100 -0.450 0.000 0.843 476 P CB 0.135 31.652 31.700 -0.305 0.000 0.787 477 S N -1.131 113.845 115.700 -1.207 0.000 2.522 477 S HA 0.088 4.558 4.470 -0.000 0.000 0.227 477 S C 1.913 176.215 174.600 -0.497 0.000 0.986 477 S CA 0.698 58.165 58.200 -1.222 0.000 0.929 477 S CB -0.954 61.796 63.200 -0.749 0.000 0.769 477 S HN 0.115 nan 8.310 nan 0.000 0.529 478 A N 1.397 124.020 122.820 -0.328 0.000 2.167 478 A HA 0.213 4.533 4.320 -0.000 0.000 0.214 478 A C 1.217 178.870 177.584 0.115 0.000 1.151 478 A CA -0.145 51.796 52.037 -0.161 0.000 0.735 478 A CB -0.187 18.633 19.000 -0.300 0.000 0.802 478 A HN 0.464 nan 8.150 nan 0.000 0.467 479 R N -0.421 120.135 120.500 0.093 0.000 2.582 479 R HA 0.448 4.788 4.340 -0.000 0.000 0.271 479 R C -0.363 176.036 176.300 0.166 0.000 1.078 479 R CA -0.496 55.727 56.100 0.205 0.000 1.127 479 R CB 0.462 30.847 30.300 0.143 0.000 1.038 479 R HN 0.315 nan 8.270 nan 0.000 0.500 480 L N 1.325 122.618 121.223 0.117 0.000 2.483 480 L HA 0.048 4.388 4.340 -0.000 0.000 0.275 480 L C 1.114 178.044 176.870 0.100 0.000 1.220 480 L CA 0.123 55.010 54.840 0.078 0.000 0.833 480 L CB 0.369 42.425 42.059 -0.005 0.000 1.102 480 L HN 0.777 nan 8.230 nan 0.000 0.490 481 T N -1.167 113.438 114.554 0.085 0.000 2.874 481 T HA 0.396 4.746 4.350 -0.000 0.000 0.281 481 T C 1.014 175.681 174.700 -0.056 0.000 0.994 481 T CA -0.245 61.902 62.100 0.078 0.000 1.015 481 T CB 1.586 70.510 68.868 0.093 0.000 1.028 481 T HN 0.633 nan 8.240 nan 0.000 0.523 482 A N 0.670 123.420 122.820 -0.115 0.000 1.933 482 A HA 0.031 4.351 4.320 -0.000 0.000 0.218 482 A C 2.130 179.592 177.584 -0.202 0.000 1.175 482 A CA 1.377 53.230 52.037 -0.308 0.000 0.628 482 A CB -1.012 17.713 19.000 -0.459 0.000 0.814 482 A HN 0.797 nan 8.150 nan 0.000 0.444 483 L N -0.028 121.141 121.223 -0.090 0.000 2.017 483 L HA -0.117 4.223 4.340 -0.000 0.000 0.208 483 L C 2.440 179.284 176.870 -0.044 0.000 1.073 483 L CA 2.537 57.350 54.840 -0.046 0.000 0.745 483 L CB -0.672 41.391 42.059 0.006 0.000 0.894 483 L HN 0.478 nan 8.230 nan 0.000 0.432 484 R N -0.414 120.065 120.500 -0.034 0.000 2.096 484 R HA -0.116 4.224 4.340 -0.000 0.000 0.235 484 R C 2.203 178.471 176.300 -0.052 0.000 1.127 484 R CA 1.842 57.927 56.100 -0.025 0.000 0.968 484 R CB -0.465 29.834 30.300 -0.002 0.000 0.861 484 R HN 0.492 nan 8.270 nan 0.000 0.440 485 I N 0.872 121.380 120.570 -0.103 0.000 2.142 485 I HA -0.286 3.883 4.170 -0.000 0.000 0.240 485 I C 2.560 178.621 176.117 -0.092 0.000 1.078 485 I CA 1.510 62.735 61.300 -0.126 0.000 1.343 485 I CB -0.459 37.384 38.000 -0.261 0.000 1.046 485 I HN 0.271 nan 8.210 nan 0.000 0.405 486 K N 1.675 122.006 120.400 -0.114 0.000 2.032 486 K HA -0.299 4.021 4.320 -0.000 0.000 0.218 486 K C 2.134 178.716 176.600 -0.030 0.000 1.054 486 K CA 2.112 58.362 56.287 -0.062 0.000 0.941 486 K CB -0.128 32.335 32.500 -0.060 0.000 0.720 486 K HN 0.227 nan 8.250 nan 0.000 0.449 487 K N -0.360 120.024 120.400 -0.027 0.000 2.032 487 K HA -0.114 4.206 4.320 -0.000 0.000 0.209 487 K C 2.254 178.847 176.600 -0.012 0.000 1.048 487 K CA 2.123 58.403 56.287 -0.012 0.000 0.927 487 K CB -0.257 32.240 32.500 -0.006 0.000 0.712 487 K HN 0.277 nan 8.250 nan 0.000 0.441 488 T N 2.204 116.748 114.554 -0.017 0.000 2.652 488 T HA -0.124 4.225 4.350 -0.000 0.000 0.267 488 T C 1.840 176.532 174.700 -0.013 0.000 1.039 488 T CA 1.016 63.108 62.100 -0.014 0.000 1.153 488 T CB -0.241 68.616 68.868 -0.019 0.000 0.863 488 T HN 0.099 nan 8.240 nan 0.000 0.428 489 L N 0.954 122.170 121.223 -0.012 0.000 1.978 489 L HA -0.258 4.081 4.340 -0.000 0.000 0.218 489 L C 2.953 179.815 176.870 -0.014 0.000 1.075 489 L CA 1.870 56.706 54.840 -0.008 0.000 0.767 489 L CB -0.894 41.169 42.059 0.007 0.000 0.890 489 L HN 0.421 nan 8.230 nan 0.000 0.434 490 Q N -0.092 119.702 119.800 -0.010 0.000 2.082 490 Q HA -0.290 4.050 4.340 -0.000 0.000 0.211 490 Q C 2.202 178.194 176.000 -0.013 0.000 1.002 490 Q CA 1.865 57.661 55.803 -0.011 0.000 0.868 490 Q CB -0.232 28.504 28.738 -0.003 0.000 0.931 490 Q HN 0.473 nan 8.270 nan 0.000 0.414 491 K N -0.310 120.085 120.400 -0.010 0.000 2.160 491 K HA -0.151 4.168 4.320 -0.000 0.000 0.206 491 K C 1.580 178.172 176.600 -0.012 0.000 1.047 491 K CA 1.150 57.432 56.287 -0.008 0.000 0.930 491 K CB -0.896 31.601 32.500 -0.006 0.000 0.720 491 K HN 0.261 nan 8.250 nan 0.000 0.450 492 I N 0.000 120.559 120.570 -0.018 0.000 2.984 492 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 492 I CA 0.000 61.286 61.300 -0.023 0.000 1.566 492 I CB 0.000 37.984 38.000 -0.027 0.000 1.214 492 I HN 0.000 nan 8.210 nan 0.000 0.494