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 1jva_1_A DATA FIRST_RESID 282 DATA SEQUENCE VGSFAKGTNV LMADGSIECI ENIEVGNKVM GKDGRPREVI KLPRGRETMY DATA SEQUENCE SVVQKSXXXX XXXXXXXEVP ELLKFTCNAT NELVVRTPRS VRRLSRTIKG DATA SEQUENCE VEYFEVITFE MGQKKAPDGR IVELVKEVSK SYPISEGPER ANELVESYRK DATA SEQUENCE ASNKAYFEWT IEARDLSLLG SHVRKATYQT YAPILYENDH FFDYMQKSKF DATA SEQUENCE HLTIEGPKVL AYLLGLWIGD GLSDRATFSV DSRDTSLMER VTEYAEKLNL DATA SEQUENCE CAEYKDRKEP QVAKTVNLYS KVXXXXXXXX XXXXENPLWD AIVGLGFLKD DATA SEQUENCE GVKNIPSFLS TDNIGTRETF LAGLIDSDGY VTDEHGIKAT IKTIHTSVRD DATA SEQUENCE GLVSLARSLG LVVSVNAEPX XXXXXXXXXK ISYAIYMSGG DVLLNVLSKC DATA SEQUENCE AGSKKFRPAP AAAFARECRG FYFELQELKE DDYYGITLSD DSDHQFLLAN DATA SEQUENCE QVVVHSSGER 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 282 V HA 0.000 nan 4.120 nan 0.000 0.244 282 V C 0.000 175.954 176.094 -0.234 0.000 1.182 282 V CA 0.000 62.249 62.300 -0.086 0.000 1.235 282 V CB 0.000 31.824 31.823 0.001 0.000 1.184 283 G N 4.253 112.919 108.800 -0.224 0.000 2.432 283 G HA2 0.541 4.502 3.960 0.001 0.000 0.239 283 G HA3 0.541 4.502 3.960 0.001 0.000 0.239 283 G C 0.027 174.688 174.900 -0.398 0.000 1.291 283 G CA 0.719 45.619 45.100 -0.334 0.000 0.863 283 G HN 1.137 nan 8.290 nan 0.000 0.560 284 S N -0.540 114.813 115.700 -0.579 0.000 2.819 284 S HA 0.777 5.247 4.470 0.001 0.000 0.299 284 S C -1.328 172.879 174.600 -0.654 0.000 1.192 284 S CA -0.484 57.427 58.200 -0.481 0.000 0.847 284 S CB 1.107 64.186 63.200 -0.202 0.000 1.224 284 S HN 0.461 nan 8.310 nan 0.000 0.537 285 F N 0.611 120.684 119.950 0.205 0.000 2.654 285 F HA 0.824 5.351 4.527 0.001 0.000 0.334 285 F C 0.556 176.539 175.800 0.305 0.000 1.078 285 F CA -1.015 57.133 58.000 0.246 0.000 0.986 285 F CB 0.656 39.793 39.000 0.229 0.000 1.362 285 F HN 0.662 nan 8.300 nan 0.000 0.498 286 A N 0.551 123.642 122.820 0.453 0.000 2.287 286 A HA 0.409 4.729 4.320 0.001 0.000 0.273 286 A C -0.149 177.597 177.584 0.270 0.000 1.091 286 A CA -0.635 51.610 52.037 0.347 0.000 0.817 286 A CB 0.324 19.470 19.000 0.242 0.000 1.069 286 A HN 0.755 nan 8.150 nan 0.000 0.492 287 K N -0.247 120.263 120.400 0.183 0.000 2.401 287 K HA 0.373 4.694 4.320 0.001 0.000 0.278 287 K C 1.064 177.626 176.600 -0.064 0.000 1.018 287 K CA 0.992 57.202 56.287 -0.129 0.000 0.981 287 K CB 0.025 32.455 32.500 -0.116 0.000 0.933 287 K HN 1.579 nan 8.250 nan 0.000 0.477 288 G N 2.174 110.897 108.800 -0.128 0.000 2.213 288 G HA2 -0.242 3.719 3.960 0.001 0.000 0.236 288 G HA3 -0.242 3.719 3.960 0.001 0.000 0.236 288 G C 0.132 175.017 174.900 -0.025 0.000 0.991 288 G CA 0.202 45.265 45.100 -0.062 0.000 0.629 288 G HN 0.683 nan 8.290 nan 0.000 0.517 289 T N 2.848 117.409 114.554 0.011 0.000 2.822 289 T HA 0.217 4.568 4.350 0.001 0.000 0.288 289 T C 0.449 175.125 174.700 -0.040 0.000 0.991 289 T CA 0.300 62.416 62.100 0.026 0.000 1.176 289 T CB 0.197 69.107 68.868 0.070 0.000 0.951 289 T HN 0.359 nan 8.240 nan 0.000 0.526 290 N N 3.215 121.889 118.700 -0.044 0.000 2.430 290 N HA 0.266 5.007 4.740 0.001 0.000 0.265 290 N C -0.500 174.960 175.510 -0.083 0.000 1.100 290 N CA -0.191 52.823 53.050 -0.059 0.000 0.961 290 N CB 1.353 39.811 38.487 -0.049 0.000 1.075 290 N HN 0.260 nan 8.380 nan 0.000 0.478 291 V N 2.842 122.715 119.914 -0.068 0.000 2.581 291 V HA 0.280 4.401 4.120 0.001 0.000 0.303 291 V C 0.122 176.196 176.094 -0.033 0.000 1.041 291 V CA -0.967 61.308 62.300 -0.042 0.000 0.907 291 V CB 2.004 33.823 31.823 -0.006 0.000 0.994 291 V HN 0.432 nan 8.190 nan 0.000 0.442 292 L N 6.020 127.231 121.223 -0.019 0.000 2.313 292 L HA 0.444 4.784 4.340 0.001 0.000 0.282 292 L C 0.100 176.955 176.870 -0.024 0.000 1.092 292 L CA 0.286 55.111 54.840 -0.025 0.000 0.831 292 L CB 0.701 42.745 42.059 -0.025 0.000 1.159 292 L HN 0.513 nan 8.230 nan 0.000 0.442 293 M N 3.769 123.340 119.600 -0.049 0.000 2.202 293 M HA 0.248 4.729 4.480 0.001 0.000 0.316 293 M C 1.512 177.737 176.300 -0.126 0.000 1.138 293 M CA 0.260 55.513 55.300 -0.078 0.000 1.151 293 M CB 0.278 32.833 32.600 -0.076 0.000 1.422 293 M HN 0.755 nan 8.290 nan 0.000 0.471 294 A N 1.051 123.772 122.820 -0.166 0.000 2.019 294 A HA -0.153 4.168 4.320 0.001 0.000 0.219 294 A C 1.273 178.548 177.584 -0.515 0.000 1.164 294 A CA 1.893 53.763 52.037 -0.278 0.000 0.644 294 A CB -0.779 18.087 19.000 -0.223 0.000 0.805 294 A HN 0.866 nan 8.150 nan 0.000 0.449 295 D N -2.231 117.968 120.400 -0.335 0.000 2.340 295 D HA 0.243 4.884 4.640 0.001 0.000 0.220 295 D C 1.156 177.427 176.300 -0.049 0.000 1.039 295 D CA 0.977 54.808 54.000 -0.282 0.000 0.866 295 D CB -0.454 40.300 40.800 -0.077 0.000 0.913 295 D HN 0.774 nan 8.370 nan 0.000 0.523 296 G N 0.419 109.173 108.800 -0.077 0.000 2.175 296 G HA2 -0.272 3.688 3.960 0.001 0.000 0.244 296 G HA3 -0.272 3.688 3.960 0.001 0.000 0.244 296 G C 0.360 175.281 174.900 0.036 0.000 0.982 296 G CA 0.350 45.502 45.100 0.087 0.000 0.641 296 G HN 0.773 nan 8.290 nan 0.000 0.527 297 S N -0.206 115.492 115.700 -0.003 0.000 2.632 297 S HA 0.777 5.247 4.470 0.001 0.000 0.271 297 S C 0.257 174.839 174.600 -0.030 0.000 1.260 297 S CA -0.748 57.442 58.200 -0.016 0.000 1.010 297 S CB 2.001 65.188 63.200 -0.023 0.000 0.965 297 S HN 0.509 nan 8.310 nan 0.000 0.534 298 I N 1.146 121.696 120.570 -0.033 0.000 2.392 298 I HA 0.521 4.692 4.170 0.001 0.000 0.295 298 I C 0.145 176.237 176.117 -0.042 0.000 0.985 298 I CA -0.336 60.940 61.300 -0.040 0.000 1.221 298 I CB 1.691 39.665 38.000 -0.042 0.000 1.366 298 I HN 0.799 nan 8.210 nan 0.000 0.467 299 E N 3.957 124.128 120.200 -0.047 0.000 2.366 299 E HA 0.397 4.747 4.350 0.001 0.000 0.278 299 E C -1.625 174.941 176.600 -0.056 0.000 0.923 299 E CA -0.625 55.746 56.400 -0.050 0.000 0.761 299 E CB 1.823 31.492 29.700 -0.051 0.000 1.231 299 E HN 0.591 nan 8.360 nan 0.000 0.443 300 C N 4.613 123.877 119.300 -0.060 0.000 2.576 300 C HA 0.208 4.668 4.460 0.001 0.000 0.401 300 C C 2.258 177.198 174.990 -0.083 0.000 1.314 300 C CA -0.323 58.651 59.018 -0.074 0.000 1.855 300 C CB -0.988 26.702 27.740 -0.082 0.000 2.537 300 C HN 0.920 nan 8.230 nan 0.000 0.578 301 I N 3.073 123.595 120.570 -0.080 0.000 2.181 301 I HA -0.274 3.897 4.170 0.001 0.000 0.247 301 I C 2.608 178.692 176.117 -0.056 0.000 1.081 301 I CA 2.042 63.311 61.300 -0.051 0.000 1.340 301 I CB -0.076 37.931 38.000 0.012 0.000 1.036 301 I HN 0.854 nan 8.210 nan 0.000 0.417 302 E N 0.176 120.250 120.200 -0.211 0.000 2.338 302 E HA -0.242 4.109 4.350 0.001 0.000 0.197 302 E C 0.966 177.531 176.600 -0.057 0.000 1.007 302 E CA 1.483 57.739 56.400 -0.239 0.000 0.849 302 E CB -0.892 28.419 29.700 -0.648 0.000 0.774 302 E HN 0.699 nan 8.360 nan 0.000 0.506 303 N N 0.404 119.066 118.700 -0.064 0.000 2.270 303 N HA 0.205 4.946 4.740 0.001 0.000 0.198 303 N C 0.002 175.498 175.510 -0.023 0.000 1.117 303 N CA -0.287 52.742 53.050 -0.034 0.000 0.845 303 N CB 0.445 38.905 38.487 -0.044 0.000 0.980 303 N HN 0.117 nan 8.380 nan 0.000 0.486 304 I N 1.632 122.191 120.570 -0.018 0.000 2.428 304 I HA 0.118 4.288 4.170 0.001 0.000 0.289 304 I C -0.100 176.011 176.117 -0.009 0.000 1.019 304 I CA -0.057 61.227 61.300 -0.027 0.000 1.351 304 I CB 0.936 38.907 38.000 -0.047 0.000 1.412 304 I HN 0.024 nan 8.210 nan 0.000 0.513 305 E N 4.770 124.958 120.200 -0.021 0.000 2.266 305 E HA 0.415 4.766 4.350 0.001 0.000 0.268 305 E C -0.951 175.634 176.600 -0.024 0.000 0.879 305 E CA -1.030 55.363 56.400 -0.012 0.000 0.762 305 E CB 2.373 32.068 29.700 -0.009 0.000 1.199 305 E HN 0.211 nan 8.360 nan 0.000 0.422 306 V N 2.011 121.914 119.914 -0.017 0.000 2.975 306 V HA -0.018 4.102 4.120 0.001 0.000 0.300 306 V C 1.570 177.647 176.094 -0.028 0.000 1.186 306 V CA 2.085 64.371 62.300 -0.024 0.000 1.311 306 V CB 0.032 31.847 31.823 -0.014 0.000 0.917 306 V HN 1.143 nan 8.190 nan 0.000 0.512 307 G N 3.036 111.815 108.800 -0.035 0.000 2.358 307 G HA2 -0.266 3.695 3.960 0.001 0.000 0.224 307 G HA3 -0.266 3.695 3.960 0.001 0.000 0.224 307 G C 0.230 175.103 174.900 -0.046 0.000 1.073 307 G CA 0.282 45.361 45.100 -0.035 0.000 0.635 307 G HN 0.732 nan 8.290 nan 0.000 0.509 308 N N 1.273 119.941 118.700 -0.052 0.000 2.441 308 N HA 0.388 5.128 4.740 0.001 0.000 0.251 308 N C -0.215 175.245 175.510 -0.084 0.000 1.242 308 N CA 0.504 53.515 53.050 -0.065 0.000 0.898 308 N CB 0.287 38.733 38.487 -0.067 0.000 1.100 308 N HN 0.328 nan 8.380 nan 0.000 0.443 309 K N 1.721 122.067 120.400 -0.089 0.000 2.339 309 K HA 0.275 4.595 4.320 0.001 0.000 0.264 309 K C -0.389 176.140 176.600 -0.117 0.000 0.986 309 K CA -0.696 55.530 56.287 -0.102 0.000 0.866 309 K CB 1.467 33.910 32.500 -0.095 0.000 1.103 309 K HN 0.297 nan 8.250 nan 0.000 0.441 310 V N 0.182 120.017 119.914 -0.132 0.000 3.170 310 V HA 0.408 4.528 4.120 0.001 0.000 0.309 310 V C 0.221 176.275 176.094 -0.066 0.000 1.071 310 V CA -1.125 61.108 62.300 -0.111 0.000 1.063 310 V CB 0.853 32.561 31.823 -0.192 0.000 1.123 310 V HN 0.726 nan 8.190 nan 0.000 0.464 311 M N 3.108 122.696 119.600 -0.021 0.000 2.188 311 M HA 0.581 5.061 4.480 0.001 0.000 0.354 311 M C 0.349 176.664 176.300 0.025 0.000 1.342 311 M CA 0.251 55.533 55.300 -0.030 0.000 1.117 311 M CB -0.048 32.533 32.600 -0.032 0.000 1.670 311 M HN 1.098 nan 8.290 nan 0.000 0.466 312 G N 4.240 113.038 108.800 -0.004 0.000 2.420 312 G HA2 0.313 4.273 3.960 0.001 0.000 0.284 312 G HA3 0.313 4.273 3.960 0.001 0.000 0.284 312 G C 0.380 175.283 174.900 0.006 0.000 1.177 312 G CA -0.639 44.467 45.100 0.011 0.000 0.841 312 G HN 0.990 nan 8.290 nan 0.000 0.527 313 K N 0.082 120.483 120.400 0.001 0.000 2.360 313 K HA -0.122 4.199 4.320 0.001 0.000 0.201 313 K C 0.894 177.498 176.600 0.007 0.000 1.046 313 K CA 1.638 57.925 56.287 -0.001 0.000 0.940 313 K CB 0.121 32.615 32.500 -0.010 0.000 0.748 313 K HN 0.483 nan 8.250 nan 0.000 0.465 314 D N -0.352 120.051 120.400 0.005 0.000 2.328 314 D HA 0.063 4.703 4.640 0.001 0.000 0.221 314 D C 1.138 177.450 176.300 0.021 0.000 1.072 314 D CA 0.589 54.593 54.000 0.008 0.000 0.850 314 D CB 0.383 41.183 40.800 0.000 0.000 0.922 314 D HN 0.443 nan 8.370 nan 0.000 0.516 315 G N 0.545 109.363 108.800 0.030 0.000 2.217 315 G HA2 -0.296 3.665 3.960 0.001 0.000 0.246 315 G HA3 -0.296 3.665 3.960 0.001 0.000 0.246 315 G C 0.387 175.310 174.900 0.039 0.000 0.990 315 G CA -0.083 45.057 45.100 0.066 0.000 0.627 315 G HN 0.456 nan 8.290 nan 0.000 0.522 316 R N 1.514 122.016 120.500 0.004 0.000 2.532 316 R HA 0.513 4.854 4.340 0.001 0.000 0.272 316 R C -2.112 174.153 176.300 -0.058 0.000 1.032 316 R CA -1.525 54.562 56.100 -0.022 0.000 1.089 316 R CB 1.042 31.334 30.300 -0.012 0.000 1.098 316 R HN 0.178 nan 8.270 nan 0.000 0.526 317 P HA 0.060 nan 4.420 nan 0.000 0.272 317 P C -0.911 176.350 177.300 -0.066 0.000 1.230 317 P CA -0.077 62.968 63.100 -0.092 0.000 0.788 317 P CB 0.777 32.417 31.700 -0.100 0.000 0.949 318 R N 1.293 121.750 120.500 -0.072 0.000 2.545 318 R HA 0.239 4.579 4.340 0.001 0.000 0.289 318 R C 0.066 176.312 176.300 -0.091 0.000 1.327 318 R CA -0.626 55.433 56.100 -0.068 0.000 1.040 318 R CB 0.627 30.899 30.300 -0.047 0.000 1.176 318 R HN 0.616 nan 8.270 nan 0.000 0.518 319 E N 2.338 122.493 120.200 -0.075 0.000 2.465 319 E HA 0.050 4.400 4.350 0.001 0.000 0.260 319 E C -0.524 176.026 176.600 -0.083 0.000 0.980 319 E CA -0.082 56.274 56.400 -0.073 0.000 0.927 319 E CB 0.852 30.521 29.700 -0.051 0.000 0.934 319 E HN 0.110 nan 8.360 nan 0.000 0.459 320 V N 7.416 127.274 119.914 -0.094 0.000 2.461 320 V HA 0.070 4.191 4.120 0.001 0.000 0.275 320 V C 1.042 177.103 176.094 -0.055 0.000 1.047 320 V CA 0.079 62.321 62.300 -0.097 0.000 0.955 320 V CB 0.795 32.551 31.823 -0.112 0.000 0.988 320 V HN 0.715 nan 8.190 nan 0.000 0.471 321 I N 0.694 121.241 120.570 -0.038 0.000 4.181 321 I HA 0.481 4.651 4.170 0.001 0.000 0.331 321 I C 0.602 176.715 176.117 -0.006 0.000 1.312 321 I CA 0.252 61.542 61.300 -0.017 0.000 1.146 321 I CB 0.210 38.207 38.000 -0.006 0.000 1.074 321 I HN 0.413 nan 8.210 nan 0.000 0.402 322 K N 1.379 121.776 120.400 -0.005 0.000 2.533 322 K HA 0.637 4.958 4.320 0.001 0.000 0.284 322 K C -1.466 175.145 176.600 0.019 0.000 1.025 322 K CA -0.727 55.566 56.287 0.010 0.000 0.900 322 K CB 3.072 35.584 32.500 0.020 0.000 1.519 322 K HN -0.011 nan 8.250 nan 0.000 0.432 323 L N 2.143 123.387 121.223 0.035 0.000 2.489 323 L HA 0.297 4.638 4.340 0.001 0.000 0.257 323 L C -2.580 174.333 176.870 0.072 0.000 1.215 323 L CA -1.749 53.129 54.840 0.062 0.000 0.915 323 L CB 1.424 43.520 42.059 0.062 0.000 1.146 323 L HN 0.233 nan 8.230 nan 0.000 0.494 324 P HA 0.145 nan 4.420 nan 0.000 0.266 324 P C -0.536 176.829 177.300 0.107 0.000 1.193 324 P CA 0.078 63.254 63.100 0.127 0.000 0.770 324 P CB 0.605 32.409 31.700 0.175 0.000 0.836 325 R N 1.170 121.677 120.500 0.012 0.000 2.774 325 R HA 0.848 5.188 4.340 0.001 0.000 0.272 325 R C -0.096 175.884 176.300 -0.533 0.000 1.000 325 R CA -0.612 55.325 56.100 -0.272 0.000 0.906 325 R CB 2.259 32.408 30.300 -0.253 0.000 1.227 325 R HN 0.791 nan 8.270 nan 0.000 0.468 326 G N 0.835 109.015 108.800 -1.033 0.000 2.359 326 G HA2 0.117 4.078 3.960 0.001 0.000 0.293 326 G HA3 0.117 4.078 3.960 0.001 0.000 0.293 326 G C -1.556 172.626 174.900 -1.197 0.000 1.300 326 G CA -0.921 43.541 45.100 -1.064 0.000 0.888 326 G HN 0.260 nan 8.290 nan 0.000 0.541 327 R N 0.130 120.327 120.500 -0.505 0.000 2.828 327 R HA 0.882 5.223 4.340 0.001 0.000 0.264 327 R C -0.329 176.079 176.300 0.179 0.000 1.022 327 R CA -0.629 55.383 56.100 -0.145 0.000 1.021 327 R CB 1.944 32.200 30.300 -0.073 0.000 1.163 327 R HN 0.915 nan 8.270 nan 0.000 0.494 328 E N -0.070 120.268 120.200 0.230 0.000 2.418 328 E HA 0.037 4.387 4.350 0.001 0.000 0.283 328 E C -1.390 175.301 176.600 0.151 0.000 1.178 328 E CA -0.280 56.253 56.400 0.222 0.000 0.929 328 E CB 1.070 30.947 29.700 0.295 0.000 1.177 328 E HN 0.480 nan 8.360 nan 0.000 0.429 329 T N 3.554 118.167 114.554 0.099 0.000 2.937 329 T HA 0.177 4.527 4.350 0.001 0.000 0.316 329 T C 0.157 174.905 174.700 0.079 0.000 1.079 329 T CA 0.175 62.307 62.100 0.053 0.000 1.131 329 T CB 0.159 69.048 68.868 0.035 0.000 1.000 329 T HN 0.239 nan 8.240 nan 0.000 0.549 330 M N 2.000 121.603 119.600 0.006 0.000 2.644 330 M HA 0.476 4.957 4.480 0.001 0.000 0.316 330 M C -1.166 175.095 176.300 -0.066 0.000 1.200 330 M CA -0.782 54.552 55.300 0.055 0.000 0.944 330 M CB 1.583 34.224 32.600 0.069 0.000 1.691 330 M HN 0.582 nan 8.290 nan 0.000 0.471 331 Y N -0.241 120.060 120.300 0.001 0.000 2.354 331 Y HA 0.340 4.891 4.550 0.001 0.000 0.330 331 Y C 0.163 176.036 175.900 -0.045 0.000 1.011 331 Y CA -0.840 57.249 58.100 -0.019 0.000 1.099 331 Y CB 1.923 40.365 38.460 -0.031 0.000 1.179 331 Y HN 0.680 nan 8.280 nan 0.000 0.442 332 S N 2.139 117.880 115.700 0.070 0.000 2.513 332 S HA 0.686 5.156 4.470 0.001 0.000 0.276 332 S C -0.696 173.862 174.600 -0.070 0.000 1.254 332 S CA -0.704 57.489 58.200 -0.013 0.000 1.053 332 S CB 0.926 64.127 63.200 0.001 0.000 0.958 332 S HN 0.336 nan 8.310 nan 0.000 0.491 333 V N 4.048 123.781 119.914 -0.301 0.000 2.370 333 V HA 0.647 4.767 4.120 0.001 0.000 0.279 333 V C -0.010 175.999 176.094 -0.141 0.000 1.029 333 V CA -0.678 61.416 62.300 -0.342 0.000 0.870 333 V CB 1.026 32.244 31.823 -1.009 0.000 0.984 333 V HN 0.831 nan 8.190 nan 0.000 0.451 334 V N 5.046 125.010 119.914 0.083 0.000 2.789 334 V HA 0.479 4.600 4.120 0.001 0.000 0.311 334 V C -0.222 176.050 176.094 0.297 0.000 1.073 334 V CA -0.543 61.845 62.300 0.148 0.000 0.921 334 V CB 2.005 33.885 31.823 0.094 0.000 1.009 334 V HN 1.024 nan 8.190 nan 0.000 0.426 335 Q N 4.318 124.309 119.800 0.318 0.000 2.337 335 Q HA 0.257 4.598 4.340 0.001 0.000 0.270 335 Q C -0.462 175.699 176.000 0.268 0.000 1.002 335 Q CA 0.012 56.066 55.803 0.418 0.000 0.888 335 Q CB 0.651 29.585 28.738 0.326 0.000 1.222 335 Q HN 0.690 nan 8.270 nan 0.000 0.400 336 K N 2.451 123.017 120.400 0.277 0.000 2.297 336 K HA 0.288 4.608 4.320 0.001 0.000 0.286 336 K C -0.630 176.065 176.600 0.158 0.000 1.053 336 K CA -0.161 56.230 56.287 0.174 0.000 0.940 336 K CB 1.110 33.692 32.500 0.137 0.000 1.019 336 K HN 0.761 nan 8.250 nan 0.000 0.475 350 V N 2.406 122.383 119.914 0.105 0.000 2.403 350 V HA 0.128 4.248 4.120 0.001 0.000 0.265 350 V C -1.962 174.154 176.094 0.037 0.000 1.034 350 V CA -1.097 61.251 62.300 0.081 0.000 1.036 350 V CB -0.451 31.431 31.823 0.098 0.000 1.032 350 V HN 0.251 nan 8.190 nan 0.000 0.478 351 P HA 0.111 nan 4.420 nan 0.000 0.265 351 P C 0.130 177.419 177.300 -0.019 0.000 1.193 351 P CA 0.266 63.371 63.100 0.008 0.000 0.765 351 P CB 0.406 32.111 31.700 0.010 0.000 0.823 352 E N 2.275 122.459 120.200 -0.026 0.000 3.956 352 E HA 0.133 4.483 4.350 0.001 0.000 0.177 352 E C -0.336 176.218 176.600 -0.076 0.000 1.028 352 E CA -0.130 56.235 56.400 -0.059 0.000 1.463 352 E CB 0.051 29.713 29.700 -0.064 0.000 1.145 352 E HN 0.406 nan 8.360 nan 0.000 0.423 353 L N 1.182 122.376 121.223 -0.049 0.000 2.453 353 L HA 0.200 4.540 4.340 0.001 0.000 0.272 353 L C 0.688 177.496 176.870 -0.103 0.000 1.182 353 L CA 0.067 54.879 54.840 -0.046 0.000 0.858 353 L CB 0.291 42.356 42.059 0.011 0.000 1.120 353 L HN 0.014 nan 8.230 nan 0.000 0.474 354 L N 4.829 125.935 121.223 -0.194 0.000 2.349 354 L HA 0.407 4.747 4.340 0.001 0.000 0.275 354 L C 0.121 176.936 176.870 -0.092 0.000 1.115 354 L CA 0.008 54.664 54.840 -0.307 0.000 0.820 354 L CB 0.842 42.395 42.059 -0.844 0.000 1.135 354 L HN 0.718 nan 8.230 nan 0.000 0.445 355 K N 2.951 123.358 120.400 0.011 0.000 2.615 355 K HA 0.763 5.083 4.320 0.001 0.000 0.291 355 K C -1.412 175.327 176.600 0.232 0.000 1.017 355 K CA -0.899 55.435 56.287 0.080 0.000 0.882 355 K CB 2.204 34.719 32.500 0.027 0.000 1.522 355 K HN 0.400 nan 8.250 nan 0.000 0.412 356 F N -2.682 117.311 119.950 0.071 0.000 2.765 356 F HA 0.398 4.926 4.527 0.001 0.000 0.313 356 F C -1.895 173.989 175.800 0.141 0.000 1.136 356 F CA -0.804 57.251 58.000 0.090 0.000 0.952 356 F CB 1.378 40.430 39.000 0.086 0.000 1.268 356 F HN 0.431 nan 8.300 nan 0.000 0.441 357 T N 2.273 117.013 114.554 0.310 0.000 2.824 357 T HA 0.664 5.014 4.350 0.001 0.000 0.280 357 T C -0.319 174.627 174.700 0.411 0.000 0.995 357 T CA -0.314 61.918 62.100 0.220 0.000 1.009 357 T CB 0.983 69.953 68.868 0.170 0.000 0.955 357 T HN 1.060 nan 8.240 nan 0.000 0.452 358 C N 2.521 121.983 119.300 0.270 0.000 3.161 358 C HA 0.889 5.350 4.460 0.001 0.000 0.330 358 C C -0.113 174.921 174.990 0.073 0.000 1.396 358 C CA -1.309 57.805 59.018 0.160 0.000 1.536 358 C CB 0.882 28.695 27.740 0.121 0.000 1.978 358 C HN 0.882 nan 8.230 nan 0.000 0.454 359 N N 0.608 119.258 118.700 -0.082 0.000 2.447 359 N HA 0.507 5.247 4.740 0.001 0.000 0.271 359 N C 0.726 176.232 175.510 -0.007 0.000 1.226 359 N CA -0.090 52.929 53.050 -0.052 0.000 0.980 359 N CB 0.792 39.100 38.487 -0.299 0.000 1.206 359 N HN 1.067 nan 8.380 nan 0.000 0.558 360 A N -0.549 122.321 122.820 0.084 0.000 1.972 360 A HA -0.121 4.199 4.320 0.001 0.000 0.219 360 A C 1.855 179.368 177.584 -0.119 0.000 1.169 360 A CA 1.948 54.026 52.037 0.067 0.000 0.635 360 A CB -1.160 17.962 19.000 0.203 0.000 0.810 360 A HN 0.812 nan 8.150 nan 0.000 0.446 361 T N -0.270 114.199 114.554 -0.142 0.000 3.129 361 T HA 0.020 4.371 4.350 0.001 0.000 0.251 361 T C 0.657 175.230 174.700 -0.212 0.000 1.117 361 T CA -0.194 61.805 62.100 -0.168 0.000 1.034 361 T CB -0.941 67.832 68.868 -0.158 0.000 0.968 361 T HN 0.571 nan 8.240 nan 0.000 0.526 362 N N 2.095 120.651 118.700 -0.241 0.000 2.468 362 N HA -0.026 4.714 4.740 0.001 0.000 0.265 362 N C -0.674 174.709 175.510 -0.213 0.000 1.199 362 N CA 0.160 53.050 53.050 -0.266 0.000 0.928 362 N CB 0.534 38.826 38.487 -0.325 0.000 1.059 362 N HN 0.448 nan 8.380 nan 0.000 0.467 363 E N 3.844 123.915 120.200 -0.216 0.000 2.180 363 E HA 0.122 4.472 4.350 0.001 0.000 0.283 363 E C -0.271 176.237 176.600 -0.153 0.000 1.061 363 E CA -0.220 56.033 56.400 -0.244 0.000 0.861 363 E CB 1.090 30.509 29.700 -0.469 0.000 1.056 363 E HN 0.474 nan 8.360 nan 0.000 0.407 364 L N 3.534 124.649 121.223 -0.179 0.000 2.331 364 L HA 0.151 4.491 4.340 0.001 0.000 0.278 364 L C -0.036 176.699 176.870 -0.224 0.000 1.106 364 L CA -0.671 54.067 54.840 -0.170 0.000 0.824 364 L CB 0.895 42.807 42.059 -0.245 0.000 1.142 364 L HN 0.275 nan 8.230 nan 0.000 0.443 365 V N 5.282 125.101 119.914 -0.159 0.000 2.370 365 V HA 0.157 4.277 4.120 0.001 0.000 0.257 365 V C 0.378 176.297 176.094 -0.291 0.000 1.064 365 V CA -0.309 61.895 62.300 -0.160 0.000 0.975 365 V CB 0.806 32.587 31.823 -0.070 0.000 1.067 365 V HN 0.564 nan 8.190 nan 0.000 0.485 366 V N 3.413 123.056 119.914 -0.452 0.000 3.113 366 V HA 0.786 4.907 4.120 0.001 0.000 0.316 366 V C -0.422 175.368 176.094 -0.507 0.000 1.125 366 V CA -1.185 60.780 62.300 -0.558 0.000 1.026 366 V CB 2.415 33.802 31.823 -0.726 0.000 1.080 366 V HN 0.714 nan 8.190 nan 0.000 0.444 367 R N 0.276 120.450 120.500 -0.543 0.000 2.673 367 R HA 0.767 5.107 4.340 0.001 0.000 0.281 367 R C -1.282 174.899 176.300 -0.199 0.000 0.991 367 R CA -0.544 55.353 56.100 -0.337 0.000 0.896 367 R CB 2.610 32.483 30.300 -0.712 0.000 1.201 367 R HN 0.926 nan 8.270 nan 0.000 0.457 368 T N 3.617 118.431 114.554 0.434 0.000 2.886 368 T HA 0.401 4.751 4.350 0.001 0.000 0.292 368 T C -2.636 172.462 174.700 0.663 0.000 1.012 368 T CA -1.509 60.947 62.100 0.593 0.000 0.982 368 T CB 2.157 71.435 68.868 0.683 0.000 1.018 368 T HN 0.356 nan 8.240 nan 0.000 0.451 369 P HA 0.247 nan 4.420 nan 0.000 0.275 369 P C -0.374 177.196 177.300 0.451 0.000 1.228 369 P CA -0.536 62.857 63.100 0.488 0.000 0.786 369 P CB 1.013 32.935 31.700 0.370 0.000 0.927 370 R N 0.958 121.571 120.500 0.189 0.000 2.679 370 R HA 0.501 4.841 4.340 0.001 0.000 0.269 370 R C 0.391 176.799 176.300 0.181 0.000 1.076 370 R CA 0.037 56.219 56.100 0.137 0.000 1.160 370 R CB 0.436 30.622 30.300 -0.191 0.000 1.054 370 R HN 0.502 nan 8.270 nan 0.000 0.507 371 S N 0.674 116.507 115.700 0.222 0.000 2.535 371 S HA 0.484 4.954 4.470 0.001 0.000 0.272 371 S C -1.832 172.625 174.600 -0.240 0.000 1.149 371 S CA -0.734 57.399 58.200 -0.111 0.000 0.888 371 S CB 1.702 64.541 63.200 -0.602 0.000 1.110 371 S HN 0.319 nan 8.310 nan 0.000 0.463 372 V N 5.265 125.046 119.914 -0.223 0.000 2.969 372 V HA 0.938 5.058 4.120 0.001 0.000 0.304 372 V C -1.844 174.150 176.094 -0.166 0.000 1.192 372 V CA -0.559 61.557 62.300 -0.307 0.000 0.962 372 V CB 2.040 33.628 31.823 -0.391 0.000 1.045 372 V HN 1.143 nan 8.190 nan 0.000 0.428 373 R N 4.537 124.950 120.500 -0.144 0.000 2.594 373 R HA 0.668 5.008 4.340 0.001 0.000 0.265 373 R C -1.588 174.673 176.300 -0.066 0.000 1.070 373 R CA -0.976 55.071 56.100 -0.089 0.000 0.909 373 R CB 1.813 32.066 30.300 -0.078 0.000 1.243 373 R HN 0.729 nan 8.270 nan 0.000 0.455 374 R N 3.429 123.899 120.500 -0.049 0.000 2.562 374 R HA 0.627 4.967 4.340 0.001 0.000 0.298 374 R C -0.975 175.324 176.300 -0.002 0.000 0.961 374 R CA -0.774 55.306 56.100 -0.033 0.000 0.881 374 R CB 1.295 31.549 30.300 -0.077 0.000 1.159 374 R HN 0.748 nan 8.270 nan 0.000 0.450 375 L N -0.663 120.588 121.223 0.047 0.000 2.409 375 L HA 0.686 5.027 4.340 0.001 0.000 0.255 375 L C -1.090 175.880 176.870 0.166 0.000 1.027 375 L CA -0.921 53.966 54.840 0.078 0.000 0.834 375 L CB 2.495 44.585 42.059 0.051 0.000 1.426 375 L HN 0.369 nan 8.230 nan 0.000 0.411 376 S N 0.746 116.550 115.700 0.173 0.000 2.449 376 S HA 0.665 5.135 4.470 0.001 0.000 0.310 376 S C -0.748 173.926 174.600 0.123 0.000 1.096 376 S CA -0.658 57.667 58.200 0.209 0.000 1.095 376 S CB 1.359 64.694 63.200 0.226 0.000 1.007 376 S HN 0.654 nan 8.310 nan 0.000 0.474 377 R N 1.453 122.027 120.500 0.124 0.000 2.795 377 R HA 0.525 4.865 4.340 0.001 0.000 0.275 377 R C -1.327 175.046 176.300 0.122 0.000 0.981 377 R CA -0.494 55.662 56.100 0.094 0.000 0.917 377 R CB 1.532 31.872 30.300 0.068 0.000 1.202 377 R HN 0.522 nan 8.270 nan 0.000 0.469 378 T N 4.571 119.179 114.554 0.090 0.000 2.801 378 T HA 0.393 4.743 4.350 0.001 0.000 0.306 378 T C -0.298 174.468 174.700 0.109 0.000 1.020 378 T CA -0.435 61.726 62.100 0.101 0.000 0.948 378 T CB 0.255 69.151 68.868 0.048 0.000 0.962 378 T HN 0.249 nan 8.240 nan 0.000 0.465 379 I N 4.090 124.777 120.570 0.196 0.000 2.330 379 I HA 0.303 4.473 4.170 0.001 0.000 0.289 379 I C 0.692 176.895 176.117 0.144 0.000 1.001 379 I CA -0.731 60.640 61.300 0.118 0.000 1.193 379 I CB 0.879 38.869 38.000 -0.018 0.000 1.345 379 I HN 0.763 nan 8.210 nan 0.000 0.461 380 K N 4.735 125.177 120.400 0.070 0.000 3.156 380 K HA -0.240 4.080 4.320 0.001 0.000 0.266 380 K C 0.987 177.622 176.600 0.058 0.000 0.966 380 K CA 0.604 56.924 56.287 0.056 0.000 0.719 380 K CB -1.604 30.927 32.500 0.052 0.000 1.333 380 K HN 1.153 nan 8.250 nan 0.000 0.468 381 G N -1.778 107.050 108.800 0.048 0.000 2.179 381 G HA2 -0.311 3.650 3.960 0.001 0.000 0.260 381 G HA3 -0.311 3.650 3.960 0.001 0.000 0.260 381 G C 0.112 175.017 174.900 0.007 0.000 0.977 381 G CA 0.103 45.217 45.100 0.023 0.000 0.641 381 G HN 0.323 nan 8.290 nan 0.000 0.533 382 V N 1.383 121.323 119.914 0.043 0.000 2.409 382 V HA 0.455 4.576 4.120 0.001 0.000 0.291 382 V C 0.207 176.245 176.094 -0.094 0.000 1.020 382 V CA -1.023 61.231 62.300 -0.075 0.000 0.848 382 V CB 1.691 33.439 31.823 -0.125 0.000 0.990 382 V HN 0.370 nan 8.190 nan 0.000 0.430 383 E N 4.036 124.110 120.200 -0.210 0.000 2.289 383 E HA 0.441 4.792 4.350 0.001 0.000 0.278 383 E C -1.526 174.881 176.600 -0.322 0.000 1.032 383 E CA -0.132 56.178 56.400 -0.149 0.000 0.854 383 E CB 1.020 30.622 29.700 -0.164 0.000 1.046 383 E HN 0.603 nan 8.360 nan 0.000 0.409 384 Y N 0.948 121.186 120.300 -0.102 0.000 2.570 384 Y HA 0.369 4.920 4.550 0.001 0.000 0.345 384 Y C -0.462 175.431 175.900 -0.011 0.000 1.014 384 Y CA -1.118 56.933 58.100 -0.083 0.000 1.063 384 Y CB 1.055 39.502 38.460 -0.022 0.000 1.272 384 Y HN 0.398 nan 8.280 nan 0.000 0.477 385 F N 1.542 121.621 119.950 0.215 0.000 2.410 385 F HA 0.381 4.908 4.527 0.000 0.000 0.349 385 F C 0.163 176.033 175.800 0.117 0.000 1.117 385 F CA -1.313 56.774 58.000 0.146 0.000 1.104 385 F CB 1.239 40.334 39.000 0.158 0.000 1.122 385 F HN 0.413 nan 8.300 nan 0.000 0.483 386 E N 2.704 123.063 120.200 0.264 0.000 2.210 386 E HA 0.612 4.962 4.350 0.001 0.000 0.266 386 E C -1.837 174.793 176.600 0.050 0.000 0.883 386 E CA -0.604 55.855 56.400 0.098 0.000 0.761 386 E CB 2.054 31.782 29.700 0.048 0.000 1.156 386 E HN 0.370 nan 8.360 nan 0.000 0.412 387 V N 6.194 126.111 119.914 0.004 0.000 2.378 387 V HA 0.389 4.510 4.120 0.001 0.000 0.288 387 V C -0.127 175.938 176.094 -0.049 0.000 1.016 387 V CA -0.574 61.712 62.300 -0.023 0.000 0.840 387 V CB 1.218 33.036 31.823 -0.008 0.000 0.994 387 V HN 0.655 nan 8.190 nan 0.000 0.431 388 I N 5.243 125.779 120.570 -0.055 0.000 2.336 388 I HA 0.624 4.794 4.170 0.001 0.000 0.292 388 I C 0.393 176.458 176.117 -0.086 0.000 0.991 388 I CA 0.027 61.305 61.300 -0.037 0.000 1.227 388 I CB 2.022 40.022 38.000 -0.001 0.000 1.366 388 I HN 0.769 nan 8.210 nan 0.000 0.466 389 T N 2.106 116.637 114.554 -0.039 0.000 2.883 389 T HA 0.563 4.914 4.350 0.001 0.000 0.296 389 T C -0.825 174.047 174.700 0.286 0.000 1.117 389 T CA -0.694 61.354 62.100 -0.087 0.000 1.006 389 T CB 1.816 70.510 68.868 -0.290 0.000 1.191 389 T HN 0.047 nan 8.240 nan 0.000 0.508 390 F N 2.046 122.043 119.950 0.079 0.000 2.411 390 F HA 0.592 5.120 4.527 0.001 0.000 0.352 390 F C 0.548 176.587 175.800 0.399 0.000 1.123 390 F CA -1.286 56.853 58.000 0.231 0.000 1.044 390 F CB 1.161 40.383 39.000 0.370 0.000 1.135 390 F HN 0.831 nan 8.300 nan 0.000 0.461 391 E N 2.510 122.832 120.200 0.204 0.000 2.433 391 E HA 0.453 4.804 4.350 0.001 0.000 0.278 391 E C -1.234 175.117 176.600 -0.415 0.000 0.976 391 E CA -1.223 55.195 56.400 0.030 0.000 0.793 391 E CB 1.928 31.743 29.700 0.192 0.000 1.311 391 E HN 0.150 nan 8.360 nan 0.000 0.460 392 M N 1.829 121.098 119.600 -0.551 0.000 2.217 392 M HA 0.362 4.842 4.480 0.001 0.000 0.352 392 M C 0.298 176.414 176.300 -0.306 0.000 1.376 392 M CA 0.434 55.401 55.300 -0.556 0.000 1.107 392 M CB 0.315 32.627 32.600 -0.479 0.000 1.723 392 M HN 0.878 nan 8.290 nan 0.000 0.461 393 G N 3.401 112.021 108.800 -0.300 0.000 3.135 393 G HA2 0.705 4.666 3.960 0.001 0.000 0.278 393 G HA3 0.705 4.666 3.960 0.001 0.000 0.278 393 G C -1.364 173.441 174.900 -0.159 0.000 1.302 393 G CA -0.479 44.510 45.100 -0.186 0.000 0.880 393 G HN 0.600 nan 8.290 nan 0.000 0.574 394 Q N -1.003 118.730 119.800 -0.113 0.000 2.433 394 Q HA 0.672 5.012 4.340 0.001 0.000 0.279 394 Q C -1.389 174.567 176.000 -0.073 0.000 1.105 394 Q CA -0.893 54.859 55.803 -0.085 0.000 0.815 394 Q CB 2.785 31.485 28.738 -0.062 0.000 1.403 394 Q HN 0.404 nan 8.270 nan 0.000 0.435 395 K N 0.982 121.347 120.400 -0.057 0.000 2.589 395 K HA 0.196 4.516 4.320 0.001 0.000 0.253 395 K C -1.799 174.780 176.600 -0.035 0.000 0.974 395 K CA -0.509 55.750 56.287 -0.047 0.000 0.835 395 K CB 1.547 34.017 32.500 -0.050 0.000 1.272 395 K HN 0.392 nan 8.250 nan 0.000 0.444 396 K N 3.226 123.608 120.400 -0.030 0.000 2.416 396 K HA 0.429 4.749 4.320 0.001 0.000 0.283 396 K C -0.571 176.016 176.600 -0.021 0.000 1.037 396 K CA -0.005 56.268 56.287 -0.024 0.000 0.995 396 K CB 0.625 33.112 32.500 -0.021 0.000 0.938 396 K HN 0.702 nan 8.250 nan 0.000 0.475 397 A N 5.784 128.593 122.820 -0.018 0.000 2.279 397 A HA 0.348 4.669 4.320 0.001 0.000 0.303 397 A C -1.820 175.757 177.584 -0.012 0.000 1.108 397 A CA -1.595 50.433 52.037 -0.015 0.000 0.830 397 A CB 0.322 19.312 19.000 -0.016 0.000 1.106 397 A HN 0.664 nan 8.150 nan 0.000 0.493 398 P HA -0.199 nan 4.420 nan 0.000 0.217 398 P C 0.403 177.700 177.300 -0.004 0.000 1.151 398 P CA 1.890 64.988 63.100 -0.004 0.000 0.849 398 P CB 0.018 31.719 31.700 0.001 0.000 0.787 399 D N -2.233 118.164 120.400 -0.005 0.000 2.319 399 D HA 0.110 4.750 4.640 0.001 0.000 0.230 399 D C 1.345 177.641 176.300 -0.008 0.000 1.094 399 D CA 0.409 54.406 54.000 -0.005 0.000 0.856 399 D CB -1.041 39.756 40.800 -0.004 0.000 0.915 399 D HN 0.243 nan 8.370 nan 0.000 0.517 400 G N 0.370 109.164 108.800 -0.009 0.000 2.179 400 G HA2 -0.352 3.609 3.960 0.001 0.000 0.260 400 G HA3 -0.352 3.609 3.960 0.001 0.000 0.260 400 G C 0.378 175.270 174.900 -0.013 0.000 0.977 400 G CA 0.024 45.117 45.100 -0.011 0.000 0.641 400 G HN 0.481 nan 8.290 nan 0.000 0.533 401 R N -0.118 120.374 120.500 -0.014 0.000 2.641 401 R HA 0.437 4.777 4.340 0.001 0.000 0.269 401 R C 0.439 176.728 176.300 -0.019 0.000 1.074 401 R CA -0.397 55.693 56.100 -0.017 0.000 1.133 401 R CB 0.578 30.867 30.300 -0.019 0.000 1.029 401 R HN 0.136 nan 8.270 nan 0.000 0.488 402 I N 3.321 123.879 120.570 -0.020 0.000 2.301 402 I HA 0.132 4.302 4.170 0.001 0.000 0.292 402 I C -0.064 176.039 176.117 -0.023 0.000 1.046 402 I CA -0.236 61.050 61.300 -0.023 0.000 1.282 402 I CB 1.168 39.154 38.000 -0.023 0.000 1.409 402 I HN 0.266 nan 8.210 nan 0.000 0.484 403 V N 6.610 126.510 119.914 -0.024 0.000 2.398 403 V HA 0.249 4.369 4.120 0.001 0.000 0.286 403 V C 0.424 176.503 176.094 -0.025 0.000 1.026 403 V CA -0.858 61.433 62.300 -0.015 0.000 0.868 403 V CB 1.822 33.642 31.823 -0.005 0.000 0.982 403 V HN 0.715 nan 8.190 nan 0.000 0.443 404 E N 5.643 125.832 120.200 -0.018 0.000 2.105 404 E HA 0.534 4.884 4.350 0.001 0.000 0.285 404 E C -1.295 175.259 176.600 -0.076 0.000 1.055 404 E CA -0.570 55.793 56.400 -0.062 0.000 0.843 404 E CB 0.709 30.378 29.700 -0.052 0.000 1.067 404 E HN 0.568 nan 8.360 nan 0.000 0.398 405 L N 1.811 122.904 121.223 -0.216 0.000 2.415 405 L HA 0.511 4.851 4.340 0.001 0.000 0.256 405 L C -0.768 175.681 176.870 -0.701 0.000 1.010 405 L CA -1.336 53.248 54.840 -0.427 0.000 0.826 405 L CB 0.622 42.645 42.059 -0.060 0.000 1.405 405 L HN 0.133 nan 8.230 nan 0.000 0.410 406 V N 1.200 120.421 119.914 -1.154 0.000 2.655 406 V HA 0.337 4.458 4.120 0.001 0.000 0.300 406 V C 0.297 176.063 176.094 -0.546 0.000 1.044 406 V CA 0.013 61.763 62.300 -0.915 0.000 1.095 406 V CB 0.393 31.662 31.823 -0.922 0.000 0.952 406 V HN 0.783 nan 8.190 nan 0.000 0.485 407 K N 3.033 123.163 120.400 -0.450 0.000 2.435 407 K HA 0.477 4.797 4.320 0.001 0.000 0.251 407 K C -0.679 175.761 176.600 -0.266 0.000 0.954 407 K CA -0.815 55.279 56.287 -0.323 0.000 0.820 407 K CB 2.485 34.859 32.500 -0.209 0.000 1.292 407 K HN 0.689 nan 8.250 nan 0.000 0.436 408 E N 2.333 122.417 120.200 -0.193 0.000 2.089 408 E HA 0.196 4.546 4.350 0.001 0.000 0.284 408 E C -1.144 175.482 176.600 0.042 0.000 1.023 408 E CA -0.489 55.939 56.400 0.046 0.000 0.819 408 E CB 0.868 30.659 29.700 0.151 0.000 1.076 408 E HN 0.204 nan 8.360 nan 0.000 0.396 409 V N 3.295 123.251 119.914 0.070 0.000 2.547 409 V HA 0.352 4.472 4.120 0.001 0.000 0.299 409 V C -0.040 176.061 176.094 0.012 0.000 1.040 409 V CA -0.562 61.749 62.300 0.019 0.000 0.913 409 V CB 1.811 33.642 31.823 0.013 0.000 0.992 409 V HN 0.608 nan 8.190 nan 0.000 0.449 410 S N 3.985 119.671 115.700 -0.023 0.000 2.521 410 S HA 0.716 5.187 4.470 0.001 0.000 0.295 410 S C -1.013 173.535 174.600 -0.087 0.000 1.098 410 S CA -0.777 57.395 58.200 -0.046 0.000 0.999 410 S CB 1.011 64.182 63.200 -0.049 0.000 1.034 410 S HN 0.728 nan 8.310 nan 0.000 0.483 411 K N 2.256 122.585 120.400 -0.118 0.000 2.513 411 K HA 0.527 4.847 4.320 0.001 0.000 0.251 411 K C -1.410 175.005 176.600 -0.309 0.000 0.939 411 K CA -0.717 55.434 56.287 -0.225 0.000 0.793 411 K CB 2.036 34.422 32.500 -0.191 0.000 1.241 411 K HN 0.675 nan 8.250 nan 0.000 0.431 412 S N 1.379 116.824 115.700 -0.425 0.000 2.536 412 S HA 0.652 5.122 4.470 0.001 0.000 0.287 412 S C -1.236 173.156 174.600 -0.346 0.000 1.101 412 S CA -0.845 57.181 58.200 -0.290 0.000 0.950 412 S CB 0.775 63.868 63.200 -0.178 0.000 1.056 412 S HN 0.445 nan 8.310 nan 0.000 0.481 413 Y N 0.174 120.645 120.300 0.285 0.000 2.462 413 Y HA 0.572 5.122 4.550 0.001 0.000 0.346 413 Y C -2.771 173.254 175.900 0.209 0.000 0.976 413 Y CA -2.456 55.800 58.100 0.259 0.000 1.044 413 Y CB 1.560 40.134 38.460 0.190 0.000 1.230 413 Y HN 0.452 nan 8.280 nan 0.000 0.455 414 P HA 0.026 nan 4.420 nan 0.000 0.266 414 P C 0.782 177.933 177.300 -0.249 0.000 1.195 414 P CA 0.149 63.069 63.100 -0.299 0.000 0.768 414 P CB 0.736 32.266 31.700 -0.282 0.000 0.838 415 I N 1.176 121.470 120.570 -0.460 0.000 2.361 415 I HA -0.187 3.984 4.170 0.001 0.000 0.251 415 I C 1.870 177.799 176.117 -0.313 0.000 1.133 415 I CA 1.692 62.620 61.300 -0.621 0.000 1.413 415 I CB -1.666 35.954 38.000 -0.633 0.000 1.073 415 I HN 0.305 nan 8.210 nan 0.000 0.424 416 S N 0.725 116.289 115.700 -0.228 0.000 2.402 416 S HA -0.210 4.261 4.470 0.001 0.000 0.233 416 S C 1.673 176.229 174.600 -0.073 0.000 1.030 416 S CA 1.304 59.425 58.200 -0.132 0.000 1.003 416 S CB -0.310 62.816 63.200 -0.122 0.000 0.813 416 S HN 0.572 nan 8.310 nan 0.000 0.477 417 E N 0.447 120.613 120.200 -0.056 0.000 2.481 417 E HA 0.312 4.663 4.350 0.001 0.000 0.195 417 E C 0.988 177.607 176.600 0.031 0.000 1.047 417 E CA 0.147 56.541 56.400 -0.009 0.000 0.867 417 E CB 0.032 29.735 29.700 0.005 0.000 0.858 417 E HN 0.475 nan 8.360 nan 0.000 0.513 418 G N 1.603 110.443 108.800 0.067 0.000 2.746 418 G HA2 -0.187 3.773 3.960 0.001 0.000 0.685 418 G HA3 -0.187 3.773 3.960 0.001 0.000 0.685 418 G C -2.089 173.038 174.900 0.378 0.000 1.350 418 G CA -0.382 44.832 45.100 0.190 0.000 0.837 418 G HN -0.035 nan 8.290 nan 0.000 0.564 419 P HA 0.010 nan 4.420 nan 0.000 0.219 419 P C 1.377 178.674 177.300 -0.006 0.000 1.154 419 P CA 1.477 64.625 63.100 0.080 0.000 0.826 419 P CB 0.118 31.729 31.700 -0.148 0.000 0.795 420 E N 0.342 120.544 120.200 0.004 0.000 2.240 420 E HA -0.304 4.047 4.350 0.001 0.000 0.236 420 E C 2.326 178.901 176.600 -0.042 0.000 1.085 420 E CA 1.955 58.341 56.400 -0.023 0.000 0.979 420 E CB -0.549 29.139 29.700 -0.019 0.000 0.845 420 E HN 0.167 nan 8.360 nan 0.000 0.483 421 R N 0.389 120.844 120.500 -0.074 0.000 2.112 421 R HA -0.224 4.117 4.340 0.001 0.000 0.242 421 R C 2.346 178.614 176.300 -0.054 0.000 1.137 421 R CA 1.791 57.794 56.100 -0.162 0.000 0.944 421 R CB -0.368 29.673 30.300 -0.433 0.000 0.857 421 R HN 0.237 nan 8.270 nan 0.000 0.435 422 A N 0.836 123.682 122.820 0.043 0.000 2.024 422 A HA -0.170 4.150 4.320 0.001 0.000 0.220 422 A C 1.695 179.294 177.584 0.025 0.000 1.164 422 A CA 1.694 53.808 52.037 0.129 0.000 0.643 422 A CB -0.488 18.556 19.000 0.073 0.000 0.806 422 A HN 0.478 nan 8.150 nan 0.000 0.451 423 N N -0.110 118.575 118.700 -0.025 0.000 2.290 423 N HA -0.081 4.659 4.740 0.001 0.000 0.179 423 N C 1.320 176.832 175.510 0.004 0.000 1.016 423 N CA 1.101 54.134 53.050 -0.027 0.000 0.871 423 N CB -0.359 38.099 38.487 -0.047 0.000 0.987 423 N HN 0.631 nan 8.380 nan 0.000 0.431 424 E N 0.418 120.620 120.200 0.003 0.000 2.463 424 E HA -0.126 4.225 4.350 0.001 0.000 0.201 424 E C 1.319 177.947 176.600 0.046 0.000 1.045 424 E CA 0.367 56.775 56.400 0.014 0.000 0.872 424 E CB 0.148 29.846 29.700 -0.004 0.000 0.797 424 E HN 0.158 nan 8.360 nan 0.000 0.538 425 L N -0.666 120.596 121.223 0.066 0.000 2.347 425 L HA 0.002 4.342 4.340 0.001 0.000 0.196 425 L C 2.017 178.948 176.870 0.103 0.000 1.072 425 L CA 0.815 55.716 54.840 0.101 0.000 0.817 425 L CB -0.110 42.030 42.059 0.136 0.000 1.029 425 L HN -0.147 nan 8.230 nan 0.000 0.478 426 V N 0.429 120.381 119.914 0.063 0.000 2.594 426 V HA -0.194 3.926 4.120 0.001 0.000 0.253 426 V C 2.635 178.782 176.094 0.089 0.000 1.069 426 V CA 1.777 64.109 62.300 0.053 0.000 1.082 426 V CB -0.661 31.161 31.823 -0.000 0.000 0.680 426 V HN 0.499 nan 8.190 nan 0.000 0.469 427 E N 0.895 121.132 120.200 0.063 0.000 2.076 427 E HA -0.145 4.205 4.350 0.001 0.000 0.190 427 E C 2.494 179.134 176.600 0.066 0.000 0.979 427 E CA 1.578 58.008 56.400 0.051 0.000 0.807 427 E CB -0.128 29.587 29.700 0.025 0.000 0.761 427 E HN 0.706 nan 8.360 nan 0.000 0.454 428 S N -0.484 115.264 115.700 0.080 0.000 2.423 428 S HA -0.157 4.313 4.470 0.001 0.000 0.231 428 S C 2.123 176.781 174.600 0.095 0.000 1.014 428 S CA 0.842 59.087 58.200 0.074 0.000 0.965 428 S CB -0.644 62.603 63.200 0.077 0.000 0.785 428 S HN 0.368 nan 8.310 nan 0.000 0.495 429 Y N 2.618 122.929 120.300 0.017 0.000 2.153 429 Y HA 0.111 4.661 4.550 0.001 0.000 0.289 429 Y C 2.575 178.471 175.900 -0.007 0.000 1.127 429 Y CA 1.418 59.530 58.100 0.019 0.000 1.131 429 Y CB -0.268 38.211 38.460 0.031 0.000 0.995 429 Y HN 0.113 nan 8.280 nan 0.000 0.505 430 R N 0.563 121.153 120.500 0.150 0.000 2.200 430 R HA -0.146 4.195 4.340 0.001 0.000 0.234 430 R C 1.305 177.577 176.300 -0.047 0.000 1.127 430 R CA 1.685 57.811 56.100 0.044 0.000 0.989 430 R CB -0.291 30.055 30.300 0.076 0.000 0.869 430 R HN 0.399 nan 8.270 nan 0.000 0.459 431 K N -0.976 119.399 120.400 -0.043 0.000 2.537 431 K HA 0.315 4.636 4.320 0.001 0.000 0.206 431 K C 0.907 177.463 176.600 -0.074 0.000 1.041 431 K CA 0.227 56.482 56.287 -0.054 0.000 1.090 431 K CB 1.106 33.591 32.500 -0.024 0.000 0.833 431 K HN -0.040 nan 8.250 nan 0.000 0.493 432 A N 0.210 122.956 122.820 -0.123 0.000 2.147 432 A HA 0.155 4.475 4.320 0.001 0.000 0.211 432 A C 0.616 178.111 177.584 -0.148 0.000 1.160 432 A CA 0.259 52.224 52.037 -0.121 0.000 0.781 432 A CB 0.282 19.198 19.000 -0.139 0.000 0.842 432 A HN 0.300 nan 8.150 nan 0.000 0.475 433 S N -0.415 115.167 115.700 -0.198 0.000 2.536 433 S HA 0.316 4.786 4.470 0.001 0.000 0.271 433 S C 0.230 174.718 174.600 -0.186 0.000 1.134 433 S CA -0.266 57.812 58.200 -0.203 0.000 0.897 433 S CB 0.858 63.878 63.200 -0.300 0.000 1.094 433 S HN 0.438 nan 8.310 nan 0.000 0.473 434 N N 2.996 121.603 118.700 -0.156 0.000 2.467 434 N HA 0.048 4.788 4.740 0.001 0.000 0.184 434 N C -0.112 175.293 175.510 -0.174 0.000 1.106 434 N CA 0.098 53.070 53.050 -0.131 0.000 0.892 434 N CB 0.030 38.462 38.487 -0.092 0.000 0.969 434 N HN 0.404 nan 8.380 nan 0.000 0.454 435 K N -0.275 119.964 120.400 -0.268 0.000 2.118 435 K HA 0.573 4.893 4.320 0.001 0.000 0.254 435 K C 0.054 176.414 176.600 -0.399 0.000 0.961 435 K CA -0.526 55.510 56.287 -0.418 0.000 0.876 435 K CB 1.700 33.811 32.500 -0.648 0.000 1.077 435 K HN 0.007 nan 8.250 nan 0.000 0.440 436 A N 1.877 124.491 122.820 -0.343 0.000 2.345 436 A HA 0.177 4.497 4.320 0.001 0.000 0.225 436 A C -0.708 176.862 177.584 -0.024 0.000 1.243 436 A CA 0.303 52.269 52.037 -0.119 0.000 0.875 436 A CB -0.387 18.646 19.000 0.055 0.000 0.929 436 A HN 0.653 nan 8.150 nan 0.000 0.502 437 Y N -5.263 114.968 120.300 -0.114 0.000 2.638 437 Y HA 0.740 5.290 4.550 0.001 0.000 0.335 437 Y C -1.185 174.632 175.900 -0.138 0.000 1.155 437 Y CA -2.790 55.273 58.100 -0.062 0.000 1.046 437 Y CB 0.330 38.873 38.460 0.139 0.000 1.303 437 Y HN -0.109 nan 8.280 nan 0.000 0.460 438 F N 1.389 121.553 119.950 0.357 0.000 2.394 438 F HA 0.462 4.990 4.527 0.001 0.000 0.340 438 F C 0.018 176.106 175.800 0.479 0.000 1.105 438 F CA -0.569 57.584 58.000 0.255 0.000 1.124 438 F CB 1.508 40.559 39.000 0.085 0.000 1.145 438 F HN 0.450 nan 8.300 nan 0.000 0.505 439 E N 4.977 125.519 120.200 0.571 0.000 2.114 439 E HA 0.254 4.604 4.350 0.001 0.000 0.266 439 E C -0.963 175.942 176.600 0.508 0.000 0.896 439 E CA -0.492 56.194 56.400 0.476 0.000 0.750 439 E CB 1.485 31.384 29.700 0.331 0.000 1.121 439 E HN 0.578 nan 8.360 nan 0.000 0.413 440 W N 1.251 122.606 121.300 0.093 0.000 2.962 440 W HA 0.559 5.219 4.660 0.001 0.000 0.405 440 W C -1.203 175.325 176.519 0.015 0.000 1.121 440 W CA -0.962 56.412 57.345 0.048 0.000 1.164 440 W CB 0.355 29.826 29.460 0.018 0.000 1.489 440 W HN 0.328 nan 8.180 nan 0.000 0.599 441 T N -0.216 114.364 114.554 0.043 0.000 2.909 441 T HA 0.751 5.102 4.350 0.001 0.000 0.299 441 T C -1.372 173.211 174.700 -0.194 0.000 1.073 441 T CA -0.615 61.357 62.100 -0.213 0.000 0.999 441 T CB 2.542 71.329 68.868 -0.134 0.000 1.098 441 T HN 0.773 nan 8.240 nan 0.000 0.477 442 I N 0.778 121.152 120.570 -0.326 0.000 2.656 442 I HA 0.442 4.612 4.170 0.001 0.000 0.292 442 I C -0.617 175.379 176.117 -0.202 0.000 1.144 442 I CA -0.827 60.349 61.300 -0.207 0.000 1.038 442 I CB 2.225 40.062 38.000 -0.271 0.000 1.244 442 I HN 0.820 nan 8.210 nan 0.000 0.420 443 E N 4.601 124.705 120.200 -0.159 0.000 2.373 443 E HA 0.216 4.567 4.350 0.001 0.000 0.267 443 E C 0.914 177.374 176.600 -0.233 0.000 1.032 443 E CA 0.467 56.754 56.400 -0.188 0.000 0.889 443 E CB 1.415 31.020 29.700 -0.159 0.000 0.984 443 E HN 0.734 nan 8.360 nan 0.000 0.425 444 A N 4.817 127.457 122.820 -0.299 0.000 1.881 444 A HA -0.334 3.987 4.320 0.001 0.000 0.219 444 A C 1.992 179.192 177.584 -0.640 0.000 1.215 444 A CA 2.429 54.182 52.037 -0.472 0.000 0.648 444 A CB -0.690 17.952 19.000 -0.596 0.000 0.832 444 A HN 0.861 nan 8.150 nan 0.000 0.455 445 R N -0.896 119.222 120.500 -0.637 0.000 2.139 445 R HA -0.172 4.169 4.340 0.001 0.000 0.243 445 R C 0.688 176.872 176.300 -0.193 0.000 1.145 445 R CA 1.873 57.730 56.100 -0.405 0.000 0.976 445 R CB -0.748 29.469 30.300 -0.138 0.000 0.866 445 R HN 0.362 nan 8.270 nan 0.000 0.449 446 D N 0.569 120.870 120.400 -0.164 0.000 2.355 446 D HA -0.024 4.616 4.640 0.001 0.000 0.218 446 D C 1.563 177.828 176.300 -0.058 0.000 1.004 446 D CA 0.239 54.190 54.000 -0.082 0.000 0.880 446 D CB 0.100 40.866 40.800 -0.058 0.000 0.911 446 D HN 0.151 nan 8.370 nan 0.000 0.528 447 L N 1.136 122.303 121.223 -0.094 0.000 2.265 447 L HA -0.146 4.195 4.340 0.001 0.000 0.215 447 L C 2.080 178.942 176.870 -0.014 0.000 1.117 447 L CA 1.216 56.032 54.840 -0.040 0.000 0.782 447 L CB -0.515 41.522 42.059 -0.037 0.000 0.914 447 L HN -0.026 nan 8.230 nan 0.000 0.441 448 S N -1.864 113.825 115.700 -0.018 0.000 2.481 448 S HA -0.081 4.390 4.470 0.001 0.000 0.231 448 S C 1.859 176.457 174.600 -0.004 0.000 0.996 448 S CA 0.638 58.837 58.200 -0.000 0.000 0.942 448 S CB -0.657 62.553 63.200 0.016 0.000 0.768 448 S HN 0.496 nan 8.310 nan 0.000 0.520 449 L N 0.641 121.861 121.223 -0.005 0.000 2.376 449 L HA 0.185 4.525 4.340 0.001 0.000 0.219 449 L C 0.753 177.616 176.870 -0.012 0.000 1.133 449 L CA 0.296 55.130 54.840 -0.008 0.000 0.816 449 L CB -0.595 41.459 42.059 -0.007 0.000 0.933 449 L HN 0.297 nan 8.230 nan 0.000 0.449 450 L N 0.480 121.705 121.223 0.003 0.000 2.453 450 L HA 0.129 4.470 4.340 0.001 0.000 0.272 450 L C 1.171 178.023 176.870 -0.030 0.000 1.182 450 L CA -0.305 54.533 54.840 -0.004 0.000 0.858 450 L CB 0.229 42.312 42.059 0.040 0.000 1.120 450 L HN 0.022 nan 8.230 nan 0.000 0.474 451 G N 0.991 109.755 108.800 -0.061 0.000 2.664 451 G HA2 0.096 4.056 3.960 0.001 0.000 0.242 451 G HA3 0.096 4.056 3.960 0.001 0.000 0.242 451 G C 1.051 175.926 174.900 -0.041 0.000 1.225 451 G CA 0.102 45.159 45.100 -0.071 0.000 0.849 451 G HN 0.833 nan 8.290 nan 0.000 0.581 452 S N -0.539 115.134 115.700 -0.046 0.000 2.382 452 S HA -0.197 4.273 4.470 0.001 0.000 0.228 452 S C 1.714 176.401 174.600 0.145 0.000 1.027 452 S CA 1.794 60.004 58.200 0.016 0.000 0.991 452 S CB -0.669 62.529 63.200 -0.005 0.000 0.823 452 S HN 0.738 nan 8.310 nan 0.000 0.469 453 H N 0.097 119.196 119.070 0.049 0.000 2.395 453 H HA 0.101 4.658 4.556 0.001 0.000 0.299 453 H C 2.116 177.552 175.328 0.179 0.000 1.070 453 H CA 1.075 57.212 56.048 0.148 0.000 1.356 453 H CB 0.073 29.989 29.762 0.257 0.000 1.401 453 H HN 0.279 nan 8.280 nan 0.000 0.524 454 V N 0.777 120.747 119.914 0.093 0.000 2.407 454 V HA -0.184 3.936 4.120 0.001 0.000 0.245 454 V C 2.442 178.589 176.094 0.089 0.000 1.041 454 V CA 1.529 63.775 62.300 -0.090 0.000 1.040 454 V CB -0.296 31.319 31.823 -0.347 0.000 0.671 454 V HN 0.228 nan 8.190 nan 0.000 0.455 455 R N 1.322 121.857 120.500 0.060 0.000 2.083 455 R HA -0.164 4.176 4.340 0.001 0.000 0.237 455 R C 2.146 178.466 176.300 0.032 0.000 1.137 455 R CA 1.860 57.983 56.100 0.039 0.000 0.951 455 R CB -0.504 29.794 30.300 -0.002 0.000 0.851 455 R HN 0.435 nan 8.270 nan 0.000 0.434 456 K N -0.610 119.819 120.400 0.048 0.000 2.283 456 K HA 0.023 4.344 4.320 0.001 0.000 0.202 456 K C 1.692 178.323 176.600 0.052 0.000 1.048 456 K CA 1.110 57.392 56.287 -0.007 0.000 0.948 456 K CB 0.057 32.542 32.500 -0.025 0.000 0.742 456 K HN 0.298 nan 8.250 nan 0.000 0.458 457 A N 0.945 123.900 122.820 0.225 0.000 2.238 457 A HA 0.044 4.365 4.320 0.001 0.000 0.210 457 A C 0.714 178.655 177.584 0.594 0.000 1.179 457 A CA 0.273 52.551 52.037 0.402 0.000 0.827 457 A CB 0.131 19.431 19.000 0.499 0.000 0.856 457 A HN 0.052 nan 8.150 nan 0.000 0.488 458 T N 1.155 115.968 114.554 0.433 0.000 2.832 458 T HA 0.502 4.852 4.350 0.001 0.000 0.296 458 T C -0.584 174.355 174.700 0.399 0.000 0.968 458 T CA 0.210 62.531 62.100 0.368 0.000 1.107 458 T CB 0.164 69.182 68.868 0.249 0.000 0.916 458 T HN 0.421 nan 8.240 nan 0.000 0.517 459 Y N 0.299 120.701 120.300 0.171 0.000 2.609 459 Y HA 0.710 5.260 4.550 0.001 0.000 0.342 459 Y C -0.214 175.633 175.900 -0.088 0.000 1.058 459 Y CA -1.492 56.633 58.100 0.041 0.000 1.055 459 Y CB 1.010 39.242 38.460 -0.380 0.000 1.292 459 Y HN 0.435 nan 8.280 nan 0.000 0.476 460 Q N 0.447 120.059 119.800 -0.313 0.000 2.199 460 Q HA 0.721 5.062 4.340 0.001 0.000 0.205 460 Q C -0.786 175.103 176.000 -0.185 0.000 1.001 460 Q CA -0.719 54.767 55.803 -0.527 0.000 1.019 460 Q CB 1.916 30.089 28.738 -0.942 0.000 1.132 460 Q HN 0.923 nan 8.270 nan 0.000 0.530 461 T N -1.854 112.755 114.554 0.092 0.000 2.883 461 T HA 0.596 4.947 4.350 0.001 0.000 0.301 461 T C -1.470 173.460 174.700 0.384 0.000 1.158 461 T CA -0.812 61.449 62.100 0.269 0.000 1.007 461 T CB 0.915 69.813 68.868 0.050 0.000 1.186 461 T HN 0.569 nan 8.240 nan 0.000 0.499 462 Y N 0.193 120.605 120.300 0.187 0.000 2.391 462 Y HA 0.869 5.420 4.550 0.001 0.000 0.341 462 Y C -0.497 175.419 175.900 0.026 0.000 0.965 462 Y CA -1.611 56.520 58.100 0.053 0.000 1.067 462 Y CB 1.098 39.534 38.460 -0.040 0.000 1.199 462 Y HN 1.012 nan 8.280 nan 0.000 0.450 463 A N 5.614 128.489 122.820 0.092 0.000 2.303 463 A HA 0.770 5.091 4.320 0.001 0.000 0.317 463 A C -2.575 175.057 177.584 0.079 0.000 1.149 463 A CA -2.117 49.929 52.037 0.015 0.000 0.822 463 A CB 0.367 19.372 19.000 0.008 0.000 1.131 463 A HN 0.663 nan 8.150 nan 0.000 0.493 464 P HA 0.208 nan 4.420 nan 0.000 0.272 464 P C -0.741 176.597 177.300 0.063 0.000 1.240 464 P CA 0.032 63.177 63.100 0.074 0.000 0.791 464 P CB 0.597 32.326 31.700 0.048 0.000 0.978 465 I N 1.936 122.545 120.570 0.065 0.000 2.291 465 I HA 0.124 4.295 4.170 0.001 0.000 0.290 465 I C 1.604 177.760 176.117 0.065 0.000 1.050 465 I CA -0.312 61.028 61.300 0.067 0.000 1.245 465 I CB 0.358 38.398 38.000 0.066 0.000 1.405 465 I HN 0.196 nan 8.210 nan 0.000 0.478 466 L N 5.899 127.164 121.223 0.070 0.000 2.446 466 L HA 0.016 4.357 4.340 0.001 0.000 0.219 466 L C 0.834 177.757 176.870 0.088 0.000 1.116 466 L CA 0.139 55.012 54.840 0.054 0.000 0.844 466 L CB -0.305 41.775 42.059 0.035 0.000 0.970 466 L HN 0.495 nan 8.230 nan 0.000 0.457 467 Y N 2.560 122.858 120.300 -0.003 0.000 2.578 467 Y HA 0.035 4.586 4.550 0.001 0.000 0.339 467 Y C 0.056 175.961 175.900 0.009 0.000 1.231 467 Y CA -0.351 57.749 58.100 0.000 0.000 1.461 467 Y CB 0.339 38.800 38.460 0.002 0.000 1.323 467 Y HN 0.048 nan 8.280 nan 0.000 0.590 468 E N 5.145 124.931 120.200 -0.689 0.000 2.255 468 E HA 0.210 4.560 4.350 0.001 0.000 0.256 468 E C -0.684 175.506 176.600 -0.683 0.000 0.887 468 E CA -0.872 55.212 56.400 -0.527 0.000 0.782 468 E CB 0.880 30.440 29.700 -0.234 0.000 1.214 468 E HN 0.694 nan 8.360 nan 0.000 0.417 469 N N 1.267 119.679 118.700 -0.480 0.000 2.332 469 N HA 0.195 4.936 4.740 0.001 0.000 0.285 469 N C -0.067 175.421 175.510 -0.038 0.000 1.292 469 N CA 0.118 53.036 53.050 -0.221 0.000 0.947 469 N CB 0.489 38.983 38.487 0.011 0.000 1.084 469 N HN 0.460 nan 8.380 nan 0.000 0.529 470 D N -1.889 118.568 120.400 0.096 0.000 2.672 470 D HA 0.014 4.655 4.640 0.001 0.000 0.287 470 D C 0.640 177.104 176.300 0.274 0.000 1.559 470 D CA -0.062 54.045 54.000 0.180 0.000 0.796 470 D CB -0.208 40.634 40.800 0.070 0.000 1.181 470 D HN 0.465 nan 8.370 nan 0.000 0.458 471 H N 0.179 119.331 119.070 0.137 0.000 2.394 471 H HA -0.176 4.380 4.556 0.001 0.000 0.297 471 H C 1.681 177.045 175.328 0.060 0.000 1.113 471 H CA 1.764 57.794 56.048 -0.031 0.000 1.277 471 H CB -0.012 29.529 29.762 -0.368 0.000 1.370 471 H HN 0.142 nan 8.280 nan 0.000 0.506 472 F N -0.861 119.216 119.950 0.212 0.000 2.098 472 F HA -0.097 4.431 4.527 0.001 0.000 0.294 472 F C 2.194 178.117 175.800 0.205 0.000 1.107 472 F CA 1.287 59.425 58.000 0.230 0.000 1.234 472 F CB -0.732 38.475 39.000 0.346 0.000 1.002 472 F HN 0.213 nan 8.300 nan 0.000 0.472 473 F N 1.473 121.574 119.950 0.252 0.000 2.051 473 F HA -0.223 4.305 4.527 0.001 0.000 0.296 473 F C 2.238 178.039 175.800 0.003 0.000 1.122 473 F CA 2.133 60.203 58.000 0.116 0.000 1.201 473 F CB -0.853 38.218 39.000 0.118 0.000 0.978 473 F HN -0.087 nan 8.300 nan 0.000 0.472 474 D N -1.005 119.609 120.400 0.357 0.000 2.228 474 D HA -0.250 4.391 4.640 0.001 0.000 0.203 474 D C 1.890 178.165 176.300 -0.043 0.000 0.988 474 D CA 1.342 55.441 54.000 0.165 0.000 0.864 474 D CB -0.616 40.250 40.800 0.109 0.000 0.928 474 D HN 0.456 nan 8.370 nan 0.000 0.469 475 Y N 0.783 120.934 120.300 -0.248 0.000 2.184 475 Y HA -0.157 4.393 4.550 0.001 0.000 0.290 475 Y C 2.192 177.890 175.900 -0.337 0.000 1.129 475 Y CA 1.160 59.056 58.100 -0.341 0.000 1.144 475 Y CB -0.159 38.030 38.460 -0.453 0.000 0.995 475 Y HN -0.183 nan 8.280 nan 0.000 0.513 476 M N 0.208 119.596 119.600 -0.353 0.000 2.088 476 M HA -0.312 4.169 4.480 0.001 0.000 0.256 476 M C 2.001 178.040 176.300 -0.434 0.000 1.071 476 M CA 1.713 56.752 55.300 -0.436 0.000 1.097 476 M CB -1.414 30.894 32.600 -0.486 0.000 1.315 476 M HN 0.353 nan 8.290 nan 0.000 0.406 477 Q N 0.491 120.042 119.800 -0.415 0.000 2.112 477 Q HA -0.161 4.179 4.340 0.001 0.000 0.206 477 Q C 1.951 177.767 176.000 -0.306 0.000 0.987 477 Q CA 1.493 57.102 55.803 -0.323 0.000 0.858 477 Q CB -0.587 28.029 28.738 -0.203 0.000 0.905 477 Q HN 0.595 nan 8.270 nan 0.000 0.420 478 K N 0.331 120.529 120.400 -0.336 0.000 2.365 478 K HA -0.023 4.298 4.320 0.001 0.000 0.199 478 K C 2.035 178.412 176.600 -0.372 0.000 1.045 478 K CA 0.408 56.495 56.287 -0.332 0.000 0.962 478 K CB 0.054 32.344 32.500 -0.351 0.000 0.759 478 K HN 0.038 nan 8.250 nan 0.000 0.469 479 S N 0.755 116.187 115.700 -0.446 0.000 2.288 479 S HA -0.051 4.419 4.470 0.001 0.000 0.174 479 S C 0.896 175.365 174.600 -0.218 0.000 1.328 479 S CA 0.657 58.632 58.200 -0.375 0.000 2.112 479 S CB 0.173 63.146 63.200 -0.378 0.000 0.609 479 S HN -0.030 nan 8.310 nan 0.000 0.358 480 K N -0.244 120.051 120.400 -0.176 0.000 2.868 480 K HA 0.286 4.607 4.320 0.001 0.000 0.304 480 K C 0.815 177.413 176.600 -0.004 0.000 1.007 480 K CA -0.171 56.070 56.287 -0.075 0.000 1.123 480 K CB -0.780 31.646 32.500 -0.122 0.000 1.408 480 K HN 0.512 nan 8.250 nan 0.000 0.522 481 F N 0.593 120.542 119.950 -0.001 0.000 2.637 481 F HA 0.063 4.590 4.527 0.001 0.000 0.284 481 F C 0.300 176.180 175.800 0.133 0.000 1.105 481 F CA 0.217 58.262 58.000 0.076 0.000 1.356 481 F CB 0.514 39.592 39.000 0.130 0.000 1.096 481 F HN 0.433 nan 8.300 nan 0.000 0.616 482 H N 0.333 119.533 119.070 0.217 0.000 2.689 482 H HA 0.650 5.206 4.556 0.001 0.000 0.346 482 H C -1.827 173.521 175.328 0.032 0.000 1.037 482 H CA -1.594 54.529 56.048 0.126 0.000 1.234 482 H CB 1.340 31.171 29.762 0.115 0.000 1.572 482 H HN 0.154 nan 8.280 nan 0.000 0.524 483 L N 2.605 123.826 121.223 -0.003 0.000 2.592 483 L HA 0.273 4.614 4.340 0.001 0.000 0.258 483 L C -0.030 176.820 176.870 -0.033 0.000 0.926 483 L CA -0.123 54.673 54.840 -0.073 0.000 0.885 483 L CB 2.074 44.055 42.059 -0.130 0.000 1.380 483 L HN 1.032 nan 8.230 nan 0.000 0.415 484 T N 0.718 115.257 114.554 -0.025 0.000 2.848 484 T HA -0.018 4.332 4.350 0.001 0.000 0.340 484 T C 1.292 175.984 174.700 -0.014 0.000 1.091 484 T CA 0.601 62.694 62.100 -0.011 0.000 1.123 484 T CB 0.184 69.040 68.868 -0.021 0.000 1.042 484 T HN 0.640 nan 8.240 nan 0.000 0.544 485 I N 0.975 121.551 120.570 0.011 0.000 2.567 485 I HA -0.077 4.093 4.170 0.001 0.000 0.257 485 I C 1.963 178.099 176.117 0.032 0.000 1.184 485 I CA 1.323 62.644 61.300 0.035 0.000 1.451 485 I CB -0.679 37.352 38.000 0.052 0.000 1.089 485 I HN 0.880 nan 8.210 nan 0.000 0.441 486 E N -1.092 119.107 120.200 -0.002 0.000 2.349 486 E HA 0.197 4.547 4.350 0.001 0.000 0.201 486 E C 1.632 178.200 176.600 -0.053 0.000 1.087 486 E CA 0.431 56.817 56.400 -0.022 0.000 1.128 486 E CB -0.306 29.356 29.700 -0.062 0.000 1.188 486 E HN 0.422 nan 8.360 nan 0.000 0.445 487 G N 2.487 111.267 108.800 -0.032 0.000 2.404 487 G HA2 -0.139 3.822 3.960 0.001 0.000 0.214 487 G HA3 -0.139 3.822 3.960 0.001 0.000 0.214 487 G C -0.621 174.306 174.900 0.046 0.000 1.189 487 G CA 0.375 45.451 45.100 -0.040 0.000 0.789 487 G HN 0.294 nan 8.290 nan 0.000 0.533 488 P HA -0.079 nan 4.420 nan 0.000 0.215 488 P C 1.791 179.305 177.300 0.356 0.000 1.153 488 P CA 1.500 64.825 63.100 0.375 0.000 0.853 488 P CB 0.004 31.925 31.700 0.369 0.000 0.788 489 K N 0.022 120.529 120.400 0.177 0.000 1.991 489 K HA -0.143 4.178 4.320 0.001 0.000 0.212 489 K C 1.867 178.560 176.600 0.155 0.000 1.049 489 K CA 1.849 58.217 56.287 0.136 0.000 0.932 489 K CB -0.842 31.694 32.500 0.059 0.000 0.717 489 K HN -0.135 nan 8.250 nan 0.000 0.441 490 V N 1.655 121.533 119.914 -0.060 0.000 2.324 490 V HA -0.263 3.857 4.120 0.001 0.000 0.250 490 V C 2.371 178.612 176.094 0.246 0.000 1.060 490 V CA 1.719 63.922 62.300 -0.161 0.000 1.042 490 V CB -0.481 31.095 31.823 -0.412 0.000 0.650 490 V HN 0.379 nan 8.190 nan 0.000 0.450 491 L N 0.597 121.965 121.223 0.242 0.000 2.023 491 L HA 0.026 4.366 4.340 0.001 0.000 0.205 491 L C 2.511 179.602 176.870 0.369 0.000 1.073 491 L CA 2.243 57.262 54.840 0.298 0.000 0.745 491 L CB -1.028 41.200 42.059 0.281 0.000 0.900 491 L HN 0.204 nan 8.230 nan 0.000 0.435 492 A N -1.209 121.862 122.820 0.419 0.000 1.917 492 A HA -0.338 3.983 4.320 0.001 0.000 0.219 492 A C 2.322 180.092 177.584 0.309 0.000 1.182 492 A CA 2.193 54.364 52.037 0.224 0.000 0.633 492 A CB -1.324 17.634 19.000 -0.069 0.000 0.819 492 A HN 0.648 nan 8.150 nan 0.000 0.448 493 Y N 0.539 120.969 120.300 0.217 0.000 2.114 493 Y HA -0.178 4.373 4.550 0.001 0.000 0.284 493 Y C 2.019 177.976 175.900 0.095 0.000 1.143 493 Y CA 1.923 60.124 58.100 0.169 0.000 1.135 493 Y CB -0.415 38.240 38.460 0.325 0.000 0.980 493 Y HN 0.225 nan 8.280 nan 0.000 0.499 494 L N -0.570 120.745 121.223 0.153 0.000 2.083 494 L HA -0.252 4.089 4.340 0.001 0.000 0.209 494 L C 2.464 179.337 176.870 0.005 0.000 1.083 494 L CA 1.214 56.083 54.840 0.049 0.000 0.752 494 L CB -0.694 41.523 42.059 0.265 0.000 0.899 494 L HN 0.296 nan 8.230 nan 0.000 0.433 495 L N -0.437 120.823 121.223 0.062 0.000 2.093 495 L HA -0.112 4.228 4.340 0.001 0.000 0.208 495 L C 2.664 179.635 176.870 0.169 0.000 1.085 495 L CA 1.212 56.094 54.840 0.070 0.000 0.755 495 L CB -0.964 40.970 42.059 -0.208 0.000 0.904 495 L HN 0.304 nan 8.230 nan 0.000 0.435 496 G N -0.008 108.731 108.800 -0.102 0.000 2.418 496 G HA2 -0.199 3.762 3.960 0.001 0.000 0.217 496 G HA3 -0.199 3.762 3.960 0.001 0.000 0.217 496 G C 1.615 176.230 174.900 -0.475 0.000 1.158 496 G CA 0.443 45.160 45.100 -0.639 0.000 0.771 496 G HN 0.212 nan 8.290 nan 0.000 0.545 497 L N -1.373 119.517 121.223 -0.556 0.000 2.046 497 L HA -0.041 4.300 4.340 0.001 0.000 0.208 497 L C 2.616 179.228 176.870 -0.430 0.000 1.077 497 L CA 1.219 55.631 54.840 -0.715 0.000 0.747 497 L CB -0.397 40.877 42.059 -1.309 0.000 0.896 497 L HN 0.415 nan 8.230 nan 0.000 0.432 498 W N 0.956 122.078 121.300 -0.297 0.000 2.333 498 W HA -0.237 4.424 4.660 0.001 0.000 0.316 498 W C 2.428 178.977 176.519 0.050 0.000 1.215 498 W CA 1.326 58.698 57.345 0.045 0.000 1.278 498 W CB -0.084 29.462 29.460 0.143 0.000 1.154 498 W HN -0.061 nan 8.180 nan 0.000 0.486 499 I N 1.019 121.652 120.570 0.107 0.000 2.264 499 I HA -0.216 3.954 4.170 0.001 0.000 0.248 499 I C 2.500 178.530 176.117 -0.144 0.000 1.111 499 I CA 1.830 63.124 61.300 -0.010 0.000 1.382 499 I CB -2.085 36.070 38.000 0.258 0.000 1.060 499 I HN 0.195 nan 8.210 nan 0.000 0.418 500 G N 1.619 110.310 108.800 -0.182 0.000 2.552 500 G HA2 -0.232 3.729 3.960 0.001 0.000 0.216 500 G HA3 -0.232 3.729 3.960 0.001 0.000 0.216 500 G C 0.334 175.140 174.900 -0.157 0.000 1.240 500 G CA 1.300 46.287 45.100 -0.189 0.000 0.796 500 G HN 0.561 nan 8.290 nan 0.000 0.568 501 D N -1.335 118.975 120.400 -0.149 0.000 2.997 501 D HA 0.448 5.089 4.640 0.001 0.000 0.362 501 D C 0.240 176.519 176.300 -0.035 0.000 1.298 501 D CA -0.170 53.779 54.000 -0.085 0.000 0.756 501 D CB 0.294 41.071 40.800 -0.039 0.000 1.216 501 D HN 0.401 nan 8.370 nan 0.000 0.496 502 G N -0.001 108.685 108.800 -0.190 0.000 2.454 502 G HA2 0.604 4.564 3.960 0.001 0.000 0.329 502 G HA3 0.604 4.564 3.960 0.001 0.000 0.329 502 G C -0.252 174.514 174.900 -0.223 0.000 1.177 502 G CA -1.030 43.978 45.100 -0.154 0.000 0.951 502 G HN 0.235 nan 8.290 nan 0.000 0.485 503 L N 0.722 121.978 121.223 0.055 0.000 2.461 503 L HA 0.119 4.459 4.340 0.001 0.000 0.272 503 L C 1.787 178.806 176.870 0.249 0.000 1.197 503 L CA -0.244 54.668 54.840 0.121 0.000 0.836 503 L CB 1.540 43.698 42.059 0.165 0.000 1.105 503 L HN 0.615 nan 8.230 nan 0.000 0.477 504 S N 0.149 115.970 115.700 0.203 0.000 2.603 504 S HA -0.055 4.416 4.470 0.001 0.000 0.220 504 S C 0.878 175.810 174.600 0.552 0.000 0.967 504 S CA 0.596 59.003 58.200 0.345 0.000 0.920 504 S CB -0.184 63.103 63.200 0.146 0.000 0.773 504 S HN 0.848 nan 8.310 nan 0.000 0.529 505 D N 0.632 121.308 120.400 0.461 0.000 2.503 505 D HA 0.114 4.755 4.640 0.001 0.000 0.218 505 D C 0.355 176.635 176.300 -0.032 0.000 1.183 505 D CA -0.358 53.847 54.000 0.342 0.000 0.827 505 D CB 0.087 40.980 40.800 0.154 0.000 1.034 505 D HN 0.589 nan 8.370 nan 0.000 0.510 506 R N -1.410 119.174 120.500 0.139 0.000 2.690 506 R HA 0.620 4.960 4.340 0.001 0.000 0.269 506 R C -1.365 175.091 176.300 0.260 0.000 1.037 506 R CA -0.808 55.145 56.100 -0.246 0.000 0.877 506 R CB 0.582 30.765 30.300 -0.194 0.000 1.255 506 R HN -0.163 nan 8.270 nan 0.000 0.467 507 A N 1.631 124.502 122.820 0.085 0.000 3.052 507 A HA 0.285 4.605 4.320 0.001 0.000 0.266 507 A C -0.605 177.014 177.584 0.058 0.000 1.855 507 A CA 0.228 52.363 52.037 0.163 0.000 1.473 507 A CB -0.762 18.274 19.000 0.059 0.000 1.038 507 A HN 0.562 nan 8.150 nan 0.000 0.619 508 T N 1.817 116.503 114.554 0.220 0.000 2.928 508 T HA 0.624 4.975 4.350 0.001 0.000 0.296 508 T C -0.764 174.030 174.700 0.156 0.000 1.000 508 T CA -0.283 61.812 62.100 -0.008 0.000 0.989 508 T CB 0.911 69.755 68.868 -0.040 0.000 1.005 508 T HN 0.563 nan 8.240 nan 0.000 0.442 509 F N -0.242 119.798 119.950 0.149 0.000 2.629 509 F HA 0.877 5.404 4.527 0.001 0.000 0.316 509 F C -0.140 175.686 175.800 0.044 0.000 1.081 509 F CA -1.559 56.491 58.000 0.084 0.000 0.954 509 F CB 0.854 39.911 39.000 0.095 0.000 1.337 509 F HN 0.472 nan 8.300 nan 0.000 0.474 510 S N 0.674 116.581 115.700 0.346 0.000 2.608 510 S HA 0.932 5.402 4.470 0.001 0.000 0.291 510 S C -0.959 173.773 174.600 0.220 0.000 1.146 510 S CA -0.617 57.710 58.200 0.211 0.000 1.043 510 S CB 1.768 65.025 63.200 0.095 0.000 1.037 510 S HN 0.778 nan 8.310 nan 0.000 0.520 511 V N 0.814 120.812 119.914 0.139 0.000 3.159 511 V HA 0.461 4.582 4.120 0.001 0.000 0.308 511 V C -0.592 175.511 176.094 0.016 0.000 1.190 511 V CA -1.005 61.343 62.300 0.081 0.000 1.037 511 V CB 2.066 33.962 31.823 0.123 0.000 1.060 511 V HN 1.029 nan 8.190 nan 0.000 0.437 512 D N 0.575 120.974 120.400 -0.001 0.000 2.341 512 D HA 0.220 4.861 4.640 0.001 0.000 0.245 512 D C 0.826 177.104 176.300 -0.037 0.000 1.106 512 D CA 0.228 54.218 54.000 -0.016 0.000 0.905 512 D CB 2.013 42.806 40.800 -0.011 0.000 1.202 512 D HN 0.481 nan 8.370 nan 0.000 0.426 513 S N 2.556 118.230 115.700 -0.044 0.000 2.371 513 S HA -0.064 4.407 4.470 0.001 0.000 0.221 513 S C 1.666 176.239 174.600 -0.045 0.000 1.036 513 S CA 0.493 58.656 58.200 -0.062 0.000 0.965 513 S CB 0.064 63.230 63.200 -0.056 0.000 0.845 513 S HN 0.478 nan 8.310 nan 0.000 0.475 514 R N 1.794 122.277 120.500 -0.029 0.000 2.377 514 R HA 0.098 4.438 4.340 0.001 0.000 0.207 514 R C 0.047 176.337 176.300 -0.017 0.000 1.075 514 R CA 0.512 56.600 56.100 -0.021 0.000 1.035 514 R CB -0.247 30.044 30.300 -0.015 0.000 0.857 514 R HN 0.143 nan 8.270 nan 0.000 0.475 515 D N 0.263 120.651 120.400 -0.019 0.000 2.564 515 D HA 0.003 4.643 4.640 0.001 0.000 0.226 515 D C 0.759 177.049 176.300 -0.016 0.000 1.149 515 D CA 0.071 54.063 54.000 -0.012 0.000 0.994 515 D CB 0.687 41.484 40.800 -0.005 0.000 1.029 515 D HN 0.200 nan 8.370 nan 0.000 0.517 516 T N -1.630 112.914 114.554 -0.016 0.000 2.962 516 T HA -0.104 4.246 4.350 0.001 0.000 0.270 516 T C 1.791 176.484 174.700 -0.012 0.000 1.088 516 T CA 0.869 62.961 62.100 -0.013 0.000 1.127 516 T CB 0.167 69.029 68.868 -0.010 0.000 0.883 516 T HN 0.035 nan 8.240 nan 0.000 0.493 517 S N 1.239 116.927 115.700 -0.020 0.000 2.371 517 S HA 0.098 4.568 4.470 0.001 0.000 0.224 517 S C 1.754 176.336 174.600 -0.030 0.000 1.029 517 S CA 0.878 59.056 58.200 -0.036 0.000 0.978 517 S CB -0.489 62.681 63.200 -0.050 0.000 0.833 517 S HN 0.401 nan 8.310 nan 0.000 0.466 518 L N 1.356 122.574 121.223 -0.009 0.000 2.093 518 L HA 0.097 4.438 4.340 0.001 0.000 0.208 518 L C 2.057 178.948 176.870 0.035 0.000 1.085 518 L CA 1.640 56.488 54.840 0.014 0.000 0.755 518 L CB -0.682 41.392 42.059 0.025 0.000 0.904 518 L HN 0.209 nan 8.230 nan 0.000 0.435 519 M N -0.488 119.127 119.600 0.025 0.000 2.099 519 M HA -0.193 4.287 4.480 0.001 0.000 0.262 519 M C 2.173 178.522 176.300 0.081 0.000 1.067 519 M CA 1.616 56.946 55.300 0.049 0.000 1.124 519 M CB -0.783 31.816 32.600 -0.002 0.000 1.353 519 M HN 0.364 nan 8.290 nan 0.000 0.410 520 E N -0.786 119.442 120.200 0.046 0.000 2.160 520 E HA -0.256 4.095 4.350 0.001 0.000 0.195 520 E C 1.989 178.611 176.600 0.037 0.000 0.991 520 E CA 1.170 57.598 56.400 0.046 0.000 0.810 520 E CB -0.118 29.590 29.700 0.014 0.000 0.742 520 E HN 0.246 nan 8.360 nan 0.000 0.466 521 R N 0.961 121.452 120.500 -0.015 0.000 2.066 521 R HA -0.112 4.228 4.340 0.001 0.000 0.232 521 R C 2.055 178.342 176.300 -0.021 0.000 1.131 521 R CA 1.383 57.406 56.100 -0.128 0.000 0.955 521 R CB -0.856 29.292 30.300 -0.254 0.000 0.851 521 R HN 0.006 nan 8.270 nan 0.000 0.432 522 V N 0.533 120.523 119.914 0.127 0.000 2.233 522 V HA -0.294 3.827 4.120 0.001 0.000 0.247 522 V C 2.197 178.454 176.094 0.273 0.000 1.050 522 V CA 2.534 64.999 62.300 0.275 0.000 1.010 522 V CB -1.008 31.020 31.823 0.342 0.000 0.637 522 V HN 0.484 nan 8.190 nan 0.000 0.444 523 T N -0.610 114.080 114.554 0.227 0.000 2.635 523 T HA -0.293 4.057 4.350 0.001 0.000 0.267 523 T C 1.918 176.730 174.700 0.188 0.000 1.040 523 T CA 2.057 64.275 62.100 0.197 0.000 1.156 523 T CB -0.327 68.645 68.868 0.174 0.000 0.863 523 T HN 0.655 nan 8.240 nan 0.000 0.430 524 E N -0.598 119.712 120.200 0.184 0.000 2.085 524 E HA -0.189 4.161 4.350 0.001 0.000 0.194 524 E C 1.968 178.757 176.600 0.314 0.000 0.994 524 E CA 1.248 57.773 56.400 0.208 0.000 0.801 524 E CB -0.131 29.685 29.700 0.192 0.000 0.743 524 E HN 0.536 nan 8.360 nan 0.000 0.453 525 Y N 0.136 120.499 120.300 0.105 0.000 2.184 525 Y HA -0.007 4.544 4.550 0.001 0.000 0.290 525 Y C 2.349 178.328 175.900 0.131 0.000 1.129 525 Y CA 0.769 58.943 58.100 0.123 0.000 1.144 525 Y CB -1.001 37.572 38.460 0.188 0.000 0.995 525 Y HN 0.143 nan 8.280 nan 0.000 0.513 526 A N 0.062 123.071 122.820 0.314 0.000 1.873 526 A HA -0.276 4.045 4.320 0.001 0.000 0.218 526 A C 2.267 179.931 177.584 0.133 0.000 1.193 526 A CA 2.039 54.200 52.037 0.208 0.000 0.629 526 A CB -0.844 18.266 19.000 0.182 0.000 0.826 526 A HN 0.469 nan 8.150 nan 0.000 0.447 527 E N -0.210 120.065 120.200 0.125 0.000 2.171 527 E HA -0.233 4.117 4.350 0.001 0.000 0.197 527 E C 1.494 178.126 176.600 0.053 0.000 0.997 527 E CA 1.273 57.721 56.400 0.080 0.000 0.810 527 E CB -0.092 29.656 29.700 0.080 0.000 0.738 527 E HN 0.410 nan 8.360 nan 0.000 0.467 528 K N -0.054 120.375 120.400 0.049 0.000 2.360 528 K HA -0.072 4.248 4.320 0.001 0.000 0.201 528 K C 1.575 178.165 176.600 -0.016 0.000 1.046 528 K CA 0.616 56.899 56.287 -0.007 0.000 0.945 528 K CB 0.017 32.469 32.500 -0.080 0.000 0.750 528 K HN 0.286 nan 8.250 nan 0.000 0.464 529 L N 0.379 121.609 121.223 0.012 0.000 3.066 529 L HA 0.181 4.521 4.340 0.001 0.000 0.265 529 L C -0.296 176.577 176.870 0.005 0.000 1.232 529 L CA -0.503 54.337 54.840 -0.000 0.000 1.031 529 L CB -0.445 41.630 42.059 0.027 0.000 1.379 529 L HN 0.078 nan 8.230 nan 0.000 0.563 530 N N 1.750 120.456 118.700 0.010 0.000 2.688 530 N HA -0.193 4.547 4.740 0.001 0.000 0.258 530 N C -1.107 174.422 175.510 0.031 0.000 1.016 530 N CA 0.733 53.792 53.050 0.015 0.000 0.747 530 N CB -0.723 37.761 38.487 -0.006 0.000 0.895 530 N HN 0.364 nan 8.380 nan 0.000 0.543 531 L N -0.915 120.339 121.223 0.050 0.000 2.327 531 L HA 0.646 4.987 4.340 0.001 0.000 0.258 531 L C -0.296 176.614 176.870 0.068 0.000 1.024 531 L CA -1.123 53.754 54.840 0.063 0.000 0.825 531 L CB 2.050 44.150 42.059 0.069 0.000 1.386 531 L HN 0.211 nan 8.230 nan 0.000 0.417 532 C N 1.448 120.792 119.300 0.074 0.000 2.345 532 C HA 0.773 5.233 4.460 0.001 0.000 0.323 532 C C 0.557 175.573 174.990 0.042 0.000 1.276 532 C CA -0.565 58.488 59.018 0.059 0.000 1.543 532 C CB 0.600 28.376 27.740 0.060 0.000 2.211 532 C HN 0.815 nan 8.230 nan 0.000 0.493 533 A N 5.375 128.212 122.820 0.029 0.000 2.807 533 A HA 0.391 4.711 4.320 0.001 0.000 0.307 533 A C 0.263 177.777 177.584 -0.116 0.000 1.532 533 A CA 0.161 52.220 52.037 0.036 0.000 1.215 533 A CB -0.207 18.893 19.000 0.167 0.000 1.127 533 A HN 0.862 nan 8.150 nan 0.000 0.543 534 E N 2.411 122.553 120.200 -0.096 0.000 2.249 534 E HA 0.517 4.867 4.350 0.001 0.000 0.280 534 E C -1.590 174.950 176.600 -0.100 0.000 1.016 534 E CA -0.235 56.056 56.400 -0.182 0.000 0.830 534 E CB 0.878 30.632 29.700 0.090 0.000 1.081 534 E HN 0.582 nan 8.360 nan 0.000 0.395 535 Y N 0.903 121.229 120.300 0.043 0.000 2.558 535 Y HA 0.336 4.886 4.550 0.001 0.000 0.333 535 Y C 0.476 176.394 175.900 0.031 0.000 1.125 535 Y CA -1.284 56.832 58.100 0.027 0.000 1.039 535 Y CB 0.255 38.724 38.460 0.015 0.000 1.331 535 Y HN 0.222 nan 8.280 nan 0.000 0.456 536 K N 0.785 121.320 120.400 0.225 0.000 2.228 536 K HA -0.171 4.150 4.320 0.001 0.000 0.205 536 K C 0.485 177.199 176.600 0.190 0.000 1.045 536 K CA 1.939 58.314 56.287 0.148 0.000 0.931 536 K CB -0.321 32.240 32.500 0.102 0.000 0.727 536 K HN 0.864 nan 8.250 nan 0.000 0.458 537 D N -0.758 119.845 120.400 0.338 0.000 3.496 537 D HA -0.253 4.387 4.640 0.001 0.000 0.238 537 D C -0.599 175.778 176.300 0.127 0.000 1.707 537 D CA 0.891 55.077 54.000 0.310 0.000 1.150 537 D CB -0.489 40.507 40.800 0.327 0.000 0.759 537 D HN 0.174 nan 8.370 nan 0.000 0.936 538 R N 0.868 121.427 120.500 0.099 0.000 4.980 538 R HA 0.012 4.353 4.340 0.001 0.000 0.190 538 R C 0.721 177.049 176.300 0.047 0.000 2.095 538 R CA 0.973 57.106 56.100 0.055 0.000 1.717 538 R CB -0.412 29.915 30.300 0.045 0.000 1.337 538 R HN 0.242 nan 8.270 nan 0.000 0.820 539 K N -1.433 118.997 120.400 0.049 0.000 2.603 539 K HA 0.099 4.420 4.320 0.001 0.000 0.195 539 K C -0.297 176.324 176.600 0.035 0.000 1.213 539 K CA -0.379 55.931 56.287 0.038 0.000 1.084 539 K CB 0.734 33.256 32.500 0.038 0.000 0.981 539 K HN 0.015 nan 8.250 nan 0.000 0.577 540 E N 2.390 122.612 120.200 0.037 0.000 2.402 540 E HA 0.279 4.630 4.350 0.001 0.000 0.244 540 E C -2.486 174.127 176.600 0.022 0.000 0.945 540 E CA -2.159 54.260 56.400 0.032 0.000 0.774 540 E CB 1.186 30.912 29.700 0.043 0.000 1.296 540 E HN -0.013 nan 8.360 nan 0.000 0.414 541 P HA -0.040 nan 4.420 nan 0.000 0.253 541 P C -0.970 176.335 177.300 0.008 0.000 1.170 541 P CA 0.619 63.725 63.100 0.010 0.000 0.806 541 P CB 0.322 32.027 31.700 0.009 0.000 0.775 542 Q N 1.331 121.133 119.800 0.004 0.000 2.900 542 Q HA 0.150 4.490 4.340 0.001 0.000 0.297 542 Q C -0.470 175.526 176.000 -0.007 0.000 0.889 542 Q CA -0.472 55.332 55.803 0.001 0.000 0.777 542 Q CB 1.404 30.145 28.738 0.005 0.000 1.518 542 Q HN 0.109 nan 8.270 nan 0.000 0.430 543 V N -0.406 119.502 119.914 -0.009 0.000 3.212 543 V HA 0.476 4.596 4.120 0.001 0.000 0.244 543 V C 0.121 176.204 176.094 -0.018 0.000 1.151 543 V CA 1.400 63.692 62.300 -0.015 0.000 1.119 543 V CB 0.763 32.578 31.823 -0.013 0.000 0.838 543 V HN 0.675 nan 8.190 nan 0.000 0.470 544 A N 2.170 124.984 122.820 -0.010 0.000 2.621 544 A HA 0.475 4.795 4.320 0.001 0.000 0.329 544 A C -0.052 177.530 177.584 -0.004 0.000 1.458 544 A CA -0.458 51.576 52.037 -0.005 0.000 1.052 544 A CB -0.117 18.885 19.000 0.004 0.000 1.142 544 A HN 0.265 nan 8.150 nan 0.000 0.523 545 K N 2.205 122.588 120.400 -0.027 0.000 2.378 545 K HA 0.137 4.457 4.320 0.001 0.000 0.288 545 K C 0.046 176.647 176.600 0.001 0.000 1.057 545 K CA 0.353 56.613 56.287 -0.044 0.000 0.971 545 K CB 0.373 32.772 32.500 -0.169 0.000 0.975 545 K HN 0.605 nan 8.250 nan 0.000 0.475 546 T N 2.432 117.006 114.554 0.033 0.000 2.834 546 T HA 0.161 4.511 4.350 0.001 0.000 0.298 546 T C 0.212 174.947 174.700 0.057 0.000 0.966 546 T CA -0.372 61.753 62.100 0.040 0.000 1.141 546 T CB 0.615 69.507 68.868 0.039 0.000 0.905 546 T HN 0.125 nan 8.240 nan 0.000 0.535 547 V N 5.668 125.563 119.914 -0.033 0.000 2.357 547 V HA 0.334 4.454 4.120 0.001 0.000 0.284 547 V C 0.023 175.939 176.094 -0.297 0.000 1.018 547 V CA -1.065 61.189 62.300 -0.076 0.000 0.841 547 V CB 1.219 32.960 31.823 -0.136 0.000 0.991 547 V HN 0.776 nan 8.190 nan 0.000 0.437 548 N N 4.642 123.225 118.700 -0.196 0.000 2.419 548 N HA 0.497 5.238 4.740 0.001 0.000 0.277 548 N C -1.058 174.195 175.510 -0.428 0.000 1.006 548 N CA -0.495 52.320 53.050 -0.392 0.000 0.923 548 N CB 2.383 40.627 38.487 -0.404 0.000 1.140 548 N HN 0.366 nan 8.380 nan 0.000 0.488 549 L N 4.001 124.940 121.223 -0.474 0.000 2.283 549 L HA 0.360 4.700 4.340 0.001 0.000 0.281 549 L C -0.577 176.109 176.870 -0.307 0.000 1.033 549 L CA -0.486 54.194 54.840 -0.266 0.000 0.848 549 L CB -0.273 41.710 42.059 -0.127 0.000 1.226 549 L HN 0.381 nan 8.230 nan 0.000 0.429 550 Y N 0.245 120.523 120.300 -0.036 0.000 2.335 550 Y HA 0.178 4.728 4.550 0.001 0.000 0.323 550 Y C 1.783 177.671 175.900 -0.020 0.000 1.224 550 Y CA 0.041 58.119 58.100 -0.037 0.000 1.241 550 Y CB 1.459 39.891 38.460 -0.046 0.000 1.235 550 Y HN 0.589 nan 8.280 nan 0.000 0.492 551 S N 1.483 117.273 115.700 0.150 0.000 2.413 551 S HA -0.298 4.173 4.470 0.001 0.000 0.237 551 S C 0.794 175.432 174.600 0.064 0.000 1.044 551 S CA 1.708 59.955 58.200 0.079 0.000 1.024 551 S CB -0.529 62.705 63.200 0.058 0.000 0.829 551 S HN 0.663 nan 8.310 nan 0.000 0.475 552 K N 0.505 120.950 120.400 0.075 0.000 5.387 552 K HA -0.159 4.161 4.320 0.001 0.000 0.360 552 K C -0.678 175.936 176.600 0.024 0.000 0.847 552 K CA 0.244 56.557 56.287 0.043 0.000 1.065 552 K CB -1.297 31.233 32.500 0.049 0.000 1.922 552 K HN 0.205 nan 8.250 nan 0.000 0.376 567 N N 0.136 118.895 118.700 0.099 0.000 2.629 567 N HA 0.346 5.086 4.740 0.001 0.000 0.279 567 N C -2.312 173.242 175.510 0.074 0.000 1.344 567 N CA -1.461 51.631 53.050 0.070 0.000 0.789 567 N CB 1.797 40.320 38.487 0.059 0.000 1.508 567 N HN -0.346 nan 8.380 nan 0.000 0.516 568 P HA -0.171 nan 4.420 nan 0.000 0.213 568 P C 1.783 179.100 177.300 0.028 0.000 1.170 568 P CA 0.968 64.078 63.100 0.017 0.000 0.898 568 P CB 0.282 31.979 31.700 -0.004 0.000 0.787 569 L N -0.387 120.858 121.223 0.037 0.000 1.971 569 L HA -0.138 4.203 4.340 0.001 0.000 0.215 569 L C 2.586 179.422 176.870 -0.056 0.000 1.072 569 L CA 2.008 56.851 54.840 0.005 0.000 0.758 569 L CB -1.819 40.266 42.059 0.044 0.000 0.889 569 L HN 0.073 nan 8.230 nan 0.000 0.433 570 W N 0.358 121.551 121.300 -0.179 0.000 2.402 570 W HA -0.193 4.468 4.660 0.001 0.000 0.286 570 W C 1.894 178.330 176.519 -0.138 0.000 1.221 570 W CA 1.556 58.767 57.345 -0.223 0.000 1.257 570 W CB -0.187 29.174 29.460 -0.164 0.000 1.120 570 W HN 0.311 nan 8.180 nan 0.000 0.551 571 D N 0.506 120.940 120.400 0.057 0.000 2.178 571 D HA -0.136 4.504 4.640 0.001 0.000 0.201 571 D C 2.293 178.578 176.300 -0.025 0.000 0.980 571 D CA 1.854 55.870 54.000 0.027 0.000 0.842 571 D CB -0.496 40.348 40.800 0.074 0.000 0.948 571 D HN 0.188 nan 8.370 nan 0.000 0.472 572 A N 0.470 123.258 122.820 -0.053 0.000 1.898 572 A HA -0.027 4.294 4.320 0.001 0.000 0.214 572 A C 2.346 179.792 177.584 -0.229 0.000 1.183 572 A CA 0.347 52.324 52.037 -0.099 0.000 0.622 572 A CB -0.524 18.424 19.000 -0.088 0.000 0.824 572 A HN 0.149 nan 8.150 nan 0.000 0.444 573 I N -0.129 120.196 120.570 -0.408 0.000 2.185 573 I HA -0.277 3.893 4.170 0.001 0.000 0.246 573 I C 2.217 178.084 176.117 -0.416 0.000 1.088 573 I CA 1.523 62.493 61.300 -0.549 0.000 1.347 573 I CB -0.276 37.023 38.000 -1.169 0.000 1.041 573 I HN 0.181 nan 8.210 nan 0.000 0.415 574 V N 0.321 119.915 119.914 -0.533 0.000 2.426 574 V HA -0.004 4.117 4.120 0.001 0.000 0.242 574 V C 2.545 178.541 176.094 -0.164 0.000 1.036 574 V CA 1.665 63.751 62.300 -0.358 0.000 1.044 574 V CB -1.065 30.532 31.823 -0.377 0.000 0.688 574 V HN 0.489 nan 8.190 nan 0.000 0.462 575 G N 0.332 109.054 108.800 -0.131 0.000 2.459 575 G HA2 -0.222 3.738 3.960 0.001 0.000 0.217 575 G HA3 -0.222 3.738 3.960 0.001 0.000 0.217 575 G C 1.560 176.339 174.900 -0.201 0.000 1.183 575 G CA 1.031 46.082 45.100 -0.082 0.000 0.776 575 G HN 0.445 nan 8.290 nan 0.000 0.552 576 L N 0.250 121.300 121.223 -0.288 0.000 2.291 576 L HA 0.191 4.531 4.340 0.001 0.000 0.214 576 L C 2.070 178.947 176.870 0.012 0.000 1.120 576 L CA 0.661 55.409 54.840 -0.153 0.000 0.799 576 L CB -0.179 41.963 42.059 0.140 0.000 0.925 576 L HN 0.480 nan 8.230 nan 0.000 0.446 577 G N -1.200 107.610 108.800 0.018 0.000 2.140 577 G HA2 -0.273 3.687 3.960 0.001 0.000 0.211 577 G HA3 -0.273 3.687 3.960 0.001 0.000 0.211 577 G C 0.314 175.190 174.900 -0.040 0.000 1.013 577 G CA -0.263 44.821 45.100 -0.025 0.000 0.705 577 G HN 0.206 nan 8.290 nan 0.000 0.508 578 F N -0.720 119.223 119.950 -0.011 0.000 2.771 578 F HA 0.409 4.936 4.527 0.001 0.000 0.299 578 F C 1.296 177.220 175.800 0.205 0.000 1.177 578 F CA 0.664 58.727 58.000 0.104 0.000 1.450 578 F CB 0.372 39.466 39.000 0.157 0.000 1.114 578 F HN 0.249 nan 8.300 nan 0.000 0.587 579 L N 0.749 122.097 121.223 0.209 0.000 2.492 579 L HA 0.326 4.667 4.340 0.001 0.000 0.258 579 L C -0.553 176.355 176.870 0.063 0.000 1.028 579 L CA -0.535 54.419 54.840 0.190 0.000 0.900 579 L CB 0.731 42.899 42.059 0.182 0.000 1.191 579 L HN -0.160 nan 8.230 nan 0.000 0.459 580 K N 3.581 124.010 120.400 0.048 0.000 2.293 580 K HA 0.461 4.781 4.320 0.001 0.000 0.267 580 K C -0.753 175.860 176.600 0.022 0.000 1.010 580 K CA -0.235 56.063 56.287 0.018 0.000 0.875 580 K CB 0.757 33.255 32.500 -0.004 0.000 1.106 580 K HN 0.578 nan 8.250 nan 0.000 0.450 581 D N 3.512 123.928 120.400 0.026 0.000 2.775 581 D HA -0.157 4.484 4.640 0.001 0.000 0.235 581 D C 0.713 177.038 176.300 0.041 0.000 1.120 581 D CA 1.578 55.595 54.000 0.029 0.000 0.708 581 D CB -1.477 39.332 40.800 0.016 0.000 1.084 581 D HN 1.025 nan 8.370 nan 0.000 0.434 582 G N -2.097 106.743 108.800 0.066 0.000 2.353 582 G HA2 -0.275 3.685 3.960 0.001 0.000 0.258 582 G HA3 -0.275 3.685 3.960 0.001 0.000 0.258 582 G C 0.478 175.423 174.900 0.075 0.000 1.013 582 G CA 1.178 46.334 45.100 0.092 0.000 0.622 582 G HN 1.428 nan 8.290 nan 0.000 0.535 583 V N -2.115 117.817 119.914 0.030 0.000 2.612 583 V HA 0.763 4.884 4.120 0.001 0.000 0.301 583 V C 0.583 176.672 176.094 -0.007 0.000 1.046 583 V CA -1.545 60.734 62.300 -0.036 0.000 0.946 583 V CB 1.540 33.313 31.823 -0.085 0.000 1.003 583 V HN 0.309 nan 8.190 nan 0.000 0.459 584 K N 2.852 123.210 120.400 -0.071 0.000 2.469 584 K HA 0.242 4.562 4.320 0.001 0.000 0.274 584 K C -0.266 176.358 176.600 0.039 0.000 0.983 584 K CA 0.436 56.736 56.287 0.022 0.000 0.974 584 K CB 0.184 32.636 32.500 -0.080 0.000 0.913 584 K HN 0.914 nan 8.250 nan 0.000 0.493 585 N N 1.502 120.264 118.700 0.104 0.000 2.484 585 N HA 0.245 4.985 4.740 0.001 0.000 0.269 585 N C -1.646 173.854 175.510 -0.016 0.000 1.237 585 N CA -0.649 52.416 53.050 0.025 0.000 0.838 585 N CB 1.113 39.588 38.487 -0.020 0.000 1.593 585 N HN 0.281 nan 8.380 nan 0.000 0.485 586 I N 3.126 123.649 120.570 -0.079 0.000 2.307 586 I HA 0.337 4.507 4.170 0.001 0.000 0.287 586 I C -1.997 173.906 176.117 -0.357 0.000 1.054 586 I CA -1.906 59.278 61.300 -0.194 0.000 1.218 586 I CB 0.321 38.273 38.000 -0.079 0.000 1.398 586 I HN 0.455 nan 8.210 nan 0.000 0.475 587 P HA -0.041 nan 4.420 nan 0.000 0.261 587 P C 1.057 178.080 177.300 -0.462 0.000 1.165 587 P CA 0.418 63.213 63.100 -0.508 0.000 0.759 587 P CB 0.545 31.823 31.700 -0.703 0.000 0.772 588 S N 3.268 118.830 115.700 -0.231 0.000 2.402 588 S HA -0.215 4.256 4.470 0.001 0.000 0.229 588 S C 1.621 176.102 174.600 -0.198 0.000 1.021 588 S CA 1.044 59.133 58.200 -0.186 0.000 0.974 588 S CB -1.355 61.789 63.200 -0.094 0.000 0.800 588 S HN 0.578 nan 8.310 nan 0.000 0.484 589 F N 1.652 121.487 119.950 -0.192 0.000 2.408 589 F HA 0.149 4.677 4.527 0.001 0.000 0.300 589 F C 1.791 177.520 175.800 -0.117 0.000 1.090 589 F CA 0.077 57.975 58.000 -0.171 0.000 1.427 589 F CB -0.542 38.290 39.000 -0.280 0.000 1.070 589 F HN 0.063 nan 8.300 nan 0.000 0.549 590 L N 0.692 121.260 121.223 -1.090 0.000 1.990 590 L HA -0.233 4.107 4.340 0.001 0.000 0.213 590 L C 2.617 179.284 176.870 -0.339 0.000 1.072 590 L CA 2.135 56.481 54.840 -0.823 0.000 0.755 590 L CB -1.544 40.044 42.059 -0.784 0.000 0.889 590 L HN 0.316 nan 8.230 nan 0.000 0.432 591 S N -0.446 115.105 115.700 -0.248 0.000 2.392 591 S HA -0.187 4.283 4.470 0.001 0.000 0.232 591 S C 1.437 176.006 174.600 -0.051 0.000 1.041 591 S CA 1.910 60.040 58.200 -0.117 0.000 1.026 591 S CB -0.422 62.721 63.200 -0.094 0.000 0.845 591 S HN 0.714 nan 8.310 nan 0.000 0.465 592 T N -1.212 113.327 114.554 -0.024 0.000 3.214 592 T HA 0.387 4.737 4.350 0.001 0.000 0.264 592 T C -0.269 174.434 174.700 0.004 0.000 1.012 592 T CA -0.465 61.662 62.100 0.045 0.000 0.901 592 T CB 0.087 69.041 68.868 0.143 0.000 1.070 592 T HN 0.080 nan 8.240 nan 0.000 0.561 593 D N 1.181 121.575 120.400 -0.009 0.000 2.588 593 D HA 0.238 4.879 4.640 0.001 0.000 0.268 593 D C 0.061 176.350 176.300 -0.019 0.000 1.176 593 D CA -0.845 53.174 54.000 0.032 0.000 1.080 593 D CB 0.805 41.698 40.800 0.155 0.000 1.186 593 D HN 0.101 nan 8.370 nan 0.000 0.619 594 N N 0.993 119.707 118.700 0.024 0.000 2.359 594 N HA -0.091 4.649 4.740 0.001 0.000 0.261 594 N C 1.322 176.829 175.510 -0.004 0.000 1.267 594 N CA 0.150 53.205 53.050 0.008 0.000 0.864 594 N CB 0.398 38.927 38.487 0.071 0.000 1.063 594 N HN 0.394 nan 8.380 nan 0.000 0.474 595 I N 3.400 123.965 120.570 -0.007 0.000 2.163 595 I HA -0.245 3.926 4.170 0.001 0.000 0.243 595 I C 2.341 178.475 176.117 0.027 0.000 1.085 595 I CA 1.471 62.776 61.300 0.008 0.000 1.347 595 I CB -0.547 37.458 38.000 0.008 0.000 1.044 595 I HN 0.707 nan 8.210 nan 0.000 0.408 596 G N -0.032 108.789 108.800 0.036 0.000 2.475 596 G HA2 -0.256 3.705 3.960 0.001 0.000 0.220 596 G HA3 -0.256 3.705 3.960 0.001 0.000 0.220 596 G C 1.629 176.559 174.900 0.051 0.000 1.125 596 G CA 1.550 46.684 45.100 0.056 0.000 0.755 596 G HN 0.307 nan 8.290 nan 0.000 0.565 597 T N 0.361 114.923 114.554 0.014 0.000 2.812 597 T HA -0.028 4.323 4.350 0.001 0.000 0.264 597 T C 2.522 177.195 174.700 -0.044 0.000 1.042 597 T CA 0.939 62.996 62.100 -0.072 0.000 1.140 597 T CB -0.101 68.649 68.868 -0.198 0.000 0.870 597 T HN 0.299 nan 8.240 nan 0.000 0.445 598 R N 1.121 121.609 120.500 -0.020 0.000 2.083 598 R HA -0.097 4.243 4.340 0.001 0.000 0.237 598 R C 2.508 178.874 176.300 0.110 0.000 1.137 598 R CA 1.582 57.699 56.100 0.028 0.000 0.951 598 R CB -0.257 30.047 30.300 0.008 0.000 0.851 598 R HN 0.550 nan 8.270 nan 0.000 0.434 599 E N -0.145 120.107 120.200 0.086 0.000 2.051 599 E HA -0.131 4.220 4.350 0.001 0.000 0.192 599 E C 2.018 178.686 176.600 0.113 0.000 0.991 599 E CA 1.683 58.138 56.400 0.091 0.000 0.799 599 E CB -0.139 29.612 29.700 0.085 0.000 0.748 599 E HN 0.296 nan 8.360 nan 0.000 0.449 600 T N 1.296 115.930 114.554 0.132 0.000 2.684 600 T HA -0.192 4.159 4.350 0.001 0.000 0.267 600 T C 1.543 176.376 174.700 0.222 0.000 1.036 600 T CA 1.217 63.429 62.100 0.188 0.000 1.148 600 T CB -0.444 68.537 68.868 0.189 0.000 0.863 600 T HN 0.149 nan 8.240 nan 0.000 0.436 601 F N 1.803 121.773 119.950 0.033 0.000 2.095 601 F HA -0.061 4.467 4.527 0.001 0.000 0.298 601 F C 1.973 177.778 175.800 0.008 0.000 1.104 601 F CA 1.120 59.124 58.000 0.006 0.000 1.232 601 F CB -0.587 38.396 39.000 -0.028 0.000 0.987 601 F HN 0.049 nan 8.300 nan 0.000 0.475 602 L N -0.215 120.984 121.223 -0.040 0.000 2.083 602 L HA -0.202 4.139 4.340 0.001 0.000 0.209 602 L C 2.776 179.563 176.870 -0.138 0.000 1.083 602 L CA 1.146 55.899 54.840 -0.144 0.000 0.752 602 L CB -1.190 40.863 42.059 -0.009 0.000 0.899 602 L HN 0.270 nan 8.230 nan 0.000 0.433 603 A N 0.209 123.021 122.820 -0.014 0.000 1.978 603 A HA -0.145 4.175 4.320 0.001 0.000 0.220 603 A C 2.359 179.973 177.584 0.050 0.000 1.170 603 A CA 1.789 53.861 52.037 0.058 0.000 0.636 603 A CB -1.065 18.028 19.000 0.155 0.000 0.810 603 A HN 0.466 nan 8.150 nan 0.000 0.448 604 G N -0.414 108.326 108.800 -0.101 0.000 2.394 604 G HA2 -0.044 3.916 3.960 0.001 0.000 0.214 604 G HA3 -0.044 3.916 3.960 0.001 0.000 0.214 604 G C 1.451 176.061 174.900 -0.483 0.000 1.176 604 G CA 1.020 45.789 45.100 -0.551 0.000 0.786 604 G HN 0.433 nan 8.290 nan 0.000 0.533 605 L N 1.046 121.977 121.223 -0.486 0.000 1.989 605 L HA 0.019 4.360 4.340 0.001 0.000 0.211 605 L C 2.711 179.420 176.870 -0.269 0.000 1.071 605 L CA 1.473 56.062 54.840 -0.417 0.000 0.749 605 L CB -0.618 41.156 42.059 -0.476 0.000 0.890 605 L HN 0.263 nan 8.230 nan 0.000 0.431 606 I N -0.366 120.077 120.570 -0.211 0.000 2.264 606 I HA -0.306 3.864 4.170 0.001 0.000 0.248 606 I C 1.904 177.956 176.117 -0.108 0.000 1.111 606 I CA 1.416 62.630 61.300 -0.144 0.000 1.382 606 I CB -0.487 37.452 38.000 -0.102 0.000 1.060 606 I HN 0.322 nan 8.210 nan 0.000 0.418 607 D N -0.048 120.288 120.400 -0.107 0.000 2.269 607 D HA -0.094 4.547 4.640 0.001 0.000 0.208 607 D C 2.281 178.512 176.300 -0.116 0.000 0.963 607 D CA 1.552 55.511 54.000 -0.069 0.000 0.864 607 D CB 0.123 40.917 40.800 -0.009 0.000 0.936 607 D HN 0.396 nan 8.370 nan 0.000 0.505 608 S N -0.341 115.246 115.700 -0.189 0.000 2.497 608 S HA -0.022 4.448 4.470 0.001 0.000 0.221 608 S C 0.660 175.189 174.600 -0.119 0.000 1.037 608 S CA 0.026 58.119 58.200 -0.179 0.000 0.920 608 S CB 0.467 63.496 63.200 -0.286 0.000 0.800 608 S HN 0.158 nan 8.310 nan 0.000 0.505 609 D N -0.081 120.245 120.400 -0.123 0.000 3.100 609 D HA 0.439 5.080 4.640 0.001 0.000 0.350 609 D C 0.030 176.276 176.300 -0.091 0.000 1.310 609 D CA -0.248 53.698 54.000 -0.090 0.000 0.741 609 D CB 0.464 41.200 40.800 -0.107 0.000 1.248 609 D HN 0.431 nan 8.370 nan 0.000 0.527 610 G N 0.138 108.900 108.800 -0.064 0.000 2.623 610 G HA2 0.558 4.518 3.960 0.001 0.000 0.290 610 G HA3 0.558 4.518 3.960 0.001 0.000 0.290 610 G C -1.879 173.020 174.900 -0.002 0.000 1.437 610 G CA -0.986 44.044 45.100 -0.117 0.000 0.798 610 G HN 0.210 nan 8.290 nan 0.000 0.488 611 Y N -2.034 118.230 120.300 -0.059 0.000 2.581 611 Y HA 0.818 5.368 4.550 0.001 0.000 0.345 611 Y C -0.919 174.967 175.900 -0.023 0.000 1.036 611 Y CA -1.654 56.425 58.100 -0.034 0.000 1.042 611 Y CB 1.648 40.093 38.460 -0.025 0.000 1.289 611 Y HN 0.447 nan 8.280 nan 0.000 0.471 612 V N 2.026 122.035 119.914 0.159 0.000 2.555 612 V HA 0.764 4.884 4.120 0.001 0.000 0.302 612 V C -0.306 175.876 176.094 0.146 0.000 1.038 612 V CA -0.206 62.144 62.300 0.084 0.000 0.887 612 V CB 1.789 33.630 31.823 0.030 0.000 0.991 612 V HN 1.065 nan 8.190 nan 0.000 0.434 613 T N -0.453 114.175 114.554 0.123 0.000 2.906 613 T HA 0.676 5.026 4.350 0.001 0.000 0.295 613 T C -0.596 174.136 174.700 0.053 0.000 1.075 613 T CA -0.563 61.602 62.100 0.108 0.000 1.005 613 T CB 2.124 71.087 68.868 0.158 0.000 1.136 613 T HN 0.715 nan 8.240 nan 0.000 0.498 614 D N -1.137 119.277 120.400 0.022 0.000 2.594 614 D HA 0.174 4.814 4.640 0.001 0.000 0.256 614 D C 1.037 177.309 176.300 -0.046 0.000 1.393 614 D CA -0.530 53.466 54.000 -0.006 0.000 0.797 614 D CB 0.192 40.982 40.800 -0.017 0.000 1.110 614 D HN 0.633 nan 8.370 nan 0.000 0.495 615 E N 0.391 120.553 120.200 -0.062 0.000 2.033 615 E HA -0.182 4.169 4.350 0.001 0.000 0.199 615 E C 0.347 176.706 176.600 -0.403 0.000 1.011 615 E CA 1.089 57.359 56.400 -0.216 0.000 0.815 615 E CB 0.072 29.670 29.700 -0.171 0.000 0.755 615 E HN 0.455 nan 8.360 nan 0.000 0.451 616 H N -1.246 117.829 119.070 0.008 0.000 2.534 616 H HA 0.394 4.950 4.556 0.001 0.000 0.250 616 H C -0.126 175.202 175.328 -0.000 0.000 1.256 616 H CA 0.502 56.551 56.048 0.001 0.000 1.000 616 H CB 0.735 30.496 29.762 -0.002 0.000 1.801 616 H HN 0.278 nan 8.280 nan 0.000 0.569 617 G N 0.947 109.779 108.800 0.053 0.000 2.592 617 G HA2 -0.151 3.809 3.960 0.001 0.000 0.685 617 G HA3 -0.151 3.809 3.960 0.001 0.000 0.685 617 G C -0.869 174.042 174.900 0.019 0.000 1.278 617 G CA -1.053 44.066 45.100 0.032 0.000 0.822 617 G HN 0.227 nan 8.290 nan 0.000 0.652 618 I N 0.779 121.346 120.570 -0.005 0.000 2.710 618 I HA 0.592 4.762 4.170 0.001 0.000 0.286 618 I C 0.358 176.477 176.117 0.003 0.000 1.181 618 I CA 0.493 61.785 61.300 -0.013 0.000 1.430 618 I CB 0.625 38.598 38.000 -0.045 0.000 1.367 618 I HN 0.805 nan 8.210 nan 0.000 0.577 619 K N 5.762 126.170 120.400 0.014 0.000 2.557 619 K HA 0.797 5.118 4.320 0.001 0.000 0.257 619 K C -2.023 174.579 176.600 0.002 0.000 0.933 619 K CA -0.653 55.650 56.287 0.028 0.000 0.820 619 K CB 1.511 34.055 32.500 0.073 0.000 1.330 619 K HN 0.679 nan 8.250 nan 0.000 0.432 620 A N 2.093 124.891 122.820 -0.036 0.000 2.342 620 A HA 0.682 5.003 4.320 0.001 0.000 0.323 620 A C -1.070 176.380 177.584 -0.224 0.000 1.125 620 A CA -0.592 51.371 52.037 -0.123 0.000 0.785 620 A CB 1.764 20.699 19.000 -0.107 0.000 1.221 620 A HN 0.573 nan 8.150 nan 0.000 0.463 621 T N 2.792 117.062 114.554 -0.473 0.000 2.809 621 T HA 0.536 4.886 4.350 0.001 0.000 0.284 621 T C -0.496 173.836 174.700 -0.614 0.000 0.992 621 T CA 0.070 61.753 62.100 -0.695 0.000 0.957 621 T CB 0.376 68.552 68.868 -1.153 0.000 0.942 621 T HN 0.461 nan 8.240 nan 0.000 0.439 622 I N 3.562 123.882 120.570 -0.417 0.000 2.441 622 I HA 0.429 4.599 4.170 0.001 0.000 0.295 622 I C -0.044 175.928 176.117 -0.241 0.000 0.994 622 I CA -1.070 60.060 61.300 -0.283 0.000 1.144 622 I CB 1.384 39.262 38.000 -0.203 0.000 1.314 622 I HN 0.177 nan 8.210 nan 0.000 0.445 623 K N 3.811 124.109 120.400 -0.170 0.000 2.206 623 K HA 0.550 4.870 4.320 0.001 0.000 0.264 623 K C -0.524 176.018 176.600 -0.097 0.000 0.967 623 K CA -0.484 55.734 56.287 -0.116 0.000 0.844 623 K CB 2.032 34.489 32.500 -0.073 0.000 1.099 623 K HN 0.563 nan 8.250 nan 0.000 0.441 624 T N 1.682 116.198 114.554 -0.063 0.000 2.916 624 T HA 0.429 4.779 4.350 0.001 0.000 0.298 624 T C 0.531 175.190 174.700 -0.068 0.000 1.031 624 T CA -0.580 61.472 62.100 -0.081 0.000 0.993 624 T CB 0.641 69.491 68.868 -0.030 0.000 1.045 624 T HN 0.314 nan 8.240 nan 0.000 0.454 625 I N 3.237 123.629 120.570 -0.297 0.000 3.603 625 I HA 0.220 4.390 4.170 0.001 0.000 0.297 625 I C 0.762 176.781 176.117 -0.164 0.000 1.269 625 I CA 0.151 61.279 61.300 -0.287 0.000 1.361 625 I CB -0.285 37.472 38.000 -0.405 0.000 1.063 625 I HN 0.580 nan 8.210 nan 0.000 0.448 626 H N 0.289 119.435 119.070 0.126 0.000 2.458 626 H HA 0.334 4.890 4.556 0.001 0.000 0.330 626 H C 1.339 176.697 175.328 0.049 0.000 1.111 626 H CA 0.117 56.220 56.048 0.091 0.000 1.245 626 H CB 1.013 30.794 29.762 0.030 0.000 1.456 626 H HN 0.058 nan 8.280 nan 0.000 0.488 627 T N -1.228 113.388 114.554 0.102 0.000 2.985 627 T HA -0.155 4.195 4.350 0.001 0.000 0.266 627 T C 2.075 176.732 174.700 -0.072 0.000 1.076 627 T CA 1.064 63.088 62.100 -0.127 0.000 1.135 627 T CB 0.060 68.835 68.868 -0.155 0.000 0.890 627 T HN 0.435 nan 8.240 nan 0.000 0.480 628 S N 0.867 116.572 115.700 0.008 0.000 2.343 628 S HA -0.106 4.364 4.470 0.001 0.000 0.219 628 S C 2.072 176.669 174.600 -0.005 0.000 1.033 628 S CA 1.447 59.643 58.200 -0.007 0.000 1.014 628 S CB -0.781 62.420 63.200 0.002 0.000 0.915 628 S HN 0.390 nan 8.310 nan 0.000 0.435 629 V N 3.043 122.984 119.914 0.046 0.000 2.255 629 V HA -0.184 3.937 4.120 0.001 0.000 0.247 629 V C 2.720 178.817 176.094 0.005 0.000 1.051 629 V CA 2.332 64.664 62.300 0.054 0.000 1.018 629 V CB -0.981 30.912 31.823 0.116 0.000 0.641 629 V HN 0.524 nan 8.190 nan 0.000 0.445 630 R N 0.379 120.864 120.500 -0.026 0.000 2.179 630 R HA -0.277 4.063 4.340 0.001 0.000 0.238 630 R C 2.053 178.299 176.300 -0.090 0.000 1.119 630 R CA 2.692 58.740 56.100 -0.085 0.000 0.915 630 R CB -0.723 29.448 30.300 -0.215 0.000 0.870 630 R HN 0.539 nan 8.270 nan 0.000 0.432 631 D N -1.128 119.207 120.400 -0.109 0.000 2.263 631 D HA -0.092 4.548 4.640 0.001 0.000 0.208 631 D C 1.666 177.918 176.300 -0.079 0.000 0.971 631 D CA 1.382 55.322 54.000 -0.100 0.000 0.867 631 D CB -0.286 40.451 40.800 -0.104 0.000 0.929 631 D HN 0.610 nan 8.370 nan 0.000 0.492 632 G N 0.969 109.732 108.800 -0.062 0.000 2.403 632 G HA2 -0.170 3.791 3.960 0.001 0.000 0.216 632 G HA3 -0.170 3.791 3.960 0.001 0.000 0.216 632 G C 1.604 176.479 174.900 -0.042 0.000 1.154 632 G CA 0.184 45.246 45.100 -0.063 0.000 0.784 632 G HN 0.209 nan 8.290 nan 0.000 0.538 633 L N 1.152 122.366 121.223 -0.015 0.000 2.017 633 L HA -0.000 4.340 4.340 0.001 0.000 0.208 633 L C 2.889 179.745 176.870 -0.024 0.000 1.073 633 L CA 1.520 56.363 54.840 0.005 0.000 0.745 633 L CB -0.737 41.319 42.059 -0.005 0.000 0.894 633 L HN 0.072 nan 8.230 nan 0.000 0.432 634 V N -0.696 119.189 119.914 -0.049 0.000 2.380 634 V HA -0.306 3.814 4.120 0.001 0.000 0.251 634 V C 2.813 178.863 176.094 -0.075 0.000 1.063 634 V CA 1.918 64.180 62.300 -0.063 0.000 1.055 634 V CB -1.103 30.671 31.823 -0.081 0.000 0.657 634 V HN 0.687 nan 8.190 nan 0.000 0.455 635 S N -0.232 115.420 115.700 -0.079 0.000 2.357 635 S HA -0.149 4.322 4.470 0.001 0.000 0.221 635 S C 1.948 176.509 174.600 -0.065 0.000 1.031 635 S CA 1.659 59.806 58.200 -0.088 0.000 0.982 635 S CB -0.312 62.831 63.200 -0.095 0.000 0.853 635 S HN 0.411 nan 8.310 nan 0.000 0.458 636 L N 1.902 123.093 121.223 -0.053 0.000 2.083 636 L HA 0.146 4.487 4.340 0.001 0.000 0.209 636 L C 2.476 179.347 176.870 0.002 0.000 1.083 636 L CA 2.069 56.888 54.840 -0.035 0.000 0.752 636 L CB -1.235 40.817 42.059 -0.013 0.000 0.899 636 L HN 0.368 nan 8.230 nan 0.000 0.433 637 A N -0.605 122.219 122.820 0.007 0.000 1.873 637 A HA -0.183 4.137 4.320 0.001 0.000 0.215 637 A C 2.459 180.068 177.584 0.042 0.000 1.186 637 A CA 1.540 53.591 52.037 0.023 0.000 0.616 637 A CB -0.538 18.469 19.000 0.011 0.000 0.823 637 A HN 0.450 nan 8.150 nan 0.000 0.442 638 R N 0.168 120.679 120.500 0.018 0.000 2.152 638 R HA -0.114 4.226 4.340 0.001 0.000 0.232 638 R C 2.500 178.871 176.300 0.118 0.000 1.117 638 R CA 1.435 57.572 56.100 0.062 0.000 0.981 638 R CB -0.254 29.973 30.300 -0.122 0.000 0.870 638 R HN 0.716 nan 8.270 nan 0.000 0.451 639 S N 0.144 115.875 115.700 0.051 0.000 2.447 639 S HA -0.060 4.410 4.470 0.001 0.000 0.233 639 S C 1.789 176.431 174.600 0.068 0.000 1.006 639 S CA 0.781 59.012 58.200 0.052 0.000 0.957 639 S CB -0.072 63.133 63.200 0.008 0.000 0.773 639 S HN 0.283 nan 8.310 nan 0.000 0.507 640 L N 0.352 121.620 121.223 0.074 0.000 2.446 640 L HA 0.327 4.667 4.340 0.001 0.000 0.219 640 L C 1.958 178.889 176.870 0.102 0.000 1.116 640 L CA 0.577 55.466 54.840 0.081 0.000 0.844 640 L CB -0.243 41.863 42.059 0.078 0.000 0.970 640 L HN 0.635 nan 8.230 nan 0.000 0.457 641 G N -0.220 108.653 108.800 0.122 0.000 2.175 641 G HA2 -0.190 3.770 3.960 0.001 0.000 0.182 641 G HA3 -0.190 3.770 3.960 0.001 0.000 0.182 641 G C 0.086 175.049 174.900 0.105 0.000 1.003 641 G CA -0.551 44.611 45.100 0.104 0.000 0.666 641 G HN 0.103 nan 8.290 nan 0.000 0.506 642 L N 0.809 122.106 121.223 0.123 0.000 2.436 642 L HA 0.555 4.895 4.340 0.001 0.000 0.265 642 L C 0.907 177.873 176.870 0.159 0.000 1.168 642 L CA -0.818 54.082 54.840 0.101 0.000 0.815 642 L CB 1.262 43.362 42.059 0.069 0.000 1.109 642 L HN -0.055 nan 8.230 nan 0.000 0.462 643 V N 2.976 122.965 119.914 0.124 0.000 2.407 643 V HA 0.368 4.488 4.120 0.001 0.000 0.278 643 V C 0.066 176.226 176.094 0.109 0.000 1.037 643 V CA -0.421 61.975 62.300 0.159 0.000 0.900 643 V CB 1.601 33.489 31.823 0.109 0.000 0.983 643 V HN 0.420 nan 8.190 nan 0.000 0.459 644 V N 3.970 123.938 119.914 0.091 0.000 2.823 644 V HA 0.860 4.980 4.120 0.001 0.000 0.312 644 V C -0.192 175.936 176.094 0.056 0.000 1.072 644 V CA -0.451 61.884 62.300 0.058 0.000 0.937 644 V CB 2.321 34.151 31.823 0.012 0.000 1.013 644 V HN 0.996 nan 8.190 nan 0.000 0.430 645 S N 1.811 117.570 115.700 0.098 0.000 2.556 645 S HA 0.882 5.353 4.470 0.001 0.000 0.271 645 S C -1.362 173.350 174.600 0.186 0.000 1.135 645 S CA -0.708 57.559 58.200 0.112 0.000 0.858 645 S CB 1.929 65.186 63.200 0.096 0.000 1.114 645 S HN 0.541 nan 8.310 nan 0.000 0.468 646 V N 1.888 121.892 119.914 0.150 0.000 2.823 646 V HA 0.658 4.778 4.120 0.001 0.000 0.312 646 V C -0.600 175.622 176.094 0.212 0.000 1.072 646 V CA -0.748 61.654 62.300 0.169 0.000 0.937 646 V CB 1.827 33.688 31.823 0.064 0.000 1.013 646 V HN 1.045 nan 8.190 nan 0.000 0.430 647 N N 0.650 119.513 118.700 0.273 0.000 2.357 647 N HA 0.781 5.521 4.740 0.001 0.000 0.284 647 N C -1.072 174.577 175.510 0.232 0.000 1.236 647 N CA -0.615 52.586 53.050 0.251 0.000 0.774 647 N CB 2.121 40.800 38.487 0.319 0.000 1.534 647 N HN 0.906 nan 8.380 nan 0.000 0.478 648 A N 0.995 123.913 122.820 0.163 0.000 2.258 648 A HA 0.383 4.704 4.320 0.001 0.000 0.316 648 A C -0.328 177.236 177.584 -0.034 0.000 1.279 648 A CA -0.563 51.500 52.037 0.043 0.000 0.876 648 A CB 0.332 19.364 19.000 0.053 0.000 1.170 648 A HN 0.489 nan 8.150 nan 0.000 0.520 649 E N 2.242 122.380 120.200 -0.102 0.000 2.342 649 E HA 0.329 4.680 4.350 0.001 0.000 0.257 649 E C -2.098 174.436 176.600 -0.110 0.000 1.150 649 E CA -1.598 54.760 56.400 -0.071 0.000 0.926 649 E CB -0.106 29.556 29.700 -0.063 0.000 1.074 649 E HN 0.433 nan 8.360 nan 0.000 0.449 662 I N -0.545 119.849 120.570 -0.294 0.000 2.729 662 I HA 0.002 4.173 4.170 0.001 0.000 0.256 662 I C 1.038 176.917 176.117 -0.397 0.000 1.115 662 I CA 0.514 61.665 61.300 -0.248 0.000 1.446 662 I CB 0.535 38.447 38.000 -0.145 0.000 1.176 662 I HN 0.355 nan 8.210 nan 0.000 0.446 663 S N -0.604 114.822 115.700 -0.458 0.000 2.638 663 S HA 0.546 5.016 4.470 0.001 0.000 0.298 663 S C -1.314 172.895 174.600 -0.653 0.000 1.111 663 S CA -0.306 57.640 58.200 -0.424 0.000 1.027 663 S CB 0.869 63.943 63.200 -0.211 0.000 1.064 663 S HN 0.086 nan 8.310 nan 0.000 0.525 664 Y N 0.671 120.931 120.300 -0.067 0.000 2.406 664 Y HA 0.640 5.191 4.550 0.001 0.000 0.340 664 Y C 0.123 175.961 175.900 -0.104 0.000 0.975 664 Y CA -0.843 57.220 58.100 -0.061 0.000 1.056 664 Y CB 1.957 40.383 38.460 -0.056 0.000 1.210 664 Y HN 0.824 nan 8.280 nan 0.000 0.448 665 A N 3.937 126.777 122.820 0.033 0.000 2.287 665 A HA 0.762 5.082 4.320 0.001 0.000 0.317 665 A C -1.176 176.235 177.584 -0.289 0.000 1.220 665 A CA -0.556 51.352 52.037 -0.215 0.000 0.835 665 A CB 0.071 18.872 19.000 -0.331 0.000 1.180 665 A HN 0.596 nan 8.150 nan 0.000 0.500 666 I N 3.150 123.528 120.570 -0.320 0.000 2.307 666 I HA 0.274 4.445 4.170 0.001 0.000 0.289 666 I C -0.843 175.084 176.117 -0.317 0.000 1.021 666 I CA -0.100 61.077 61.300 -0.205 0.000 1.224 666 I CB 0.337 38.266 38.000 -0.119 0.000 1.376 666 I HN 0.522 nan 8.210 nan 0.000 0.470 667 Y N 6.728 127.001 120.300 -0.043 0.000 2.313 667 Y HA 0.631 5.182 4.550 0.001 0.000 0.332 667 Y C 0.206 176.083 175.900 -0.038 0.000 1.071 667 Y CA -0.473 57.595 58.100 -0.052 0.000 1.169 667 Y CB 0.950 39.397 38.460 -0.021 0.000 1.192 667 Y HN 0.371 nan 8.280 nan 0.000 0.487 668 M N 3.478 123.123 119.600 0.075 0.000 2.395 668 M HA 0.579 5.059 4.480 0.001 0.000 0.307 668 M C -0.763 175.563 176.300 0.042 0.000 1.091 668 M CA -0.589 54.737 55.300 0.044 0.000 0.919 668 M CB 2.332 34.930 32.600 -0.004 0.000 1.662 668 M HN 0.679 nan 8.290 nan 0.000 0.440 669 S N 0.526 116.253 115.700 0.044 0.000 2.661 669 S HA 0.976 5.447 4.470 0.001 0.000 0.285 669 S C 0.040 174.651 174.600 0.018 0.000 1.138 669 S CA -0.033 58.184 58.200 0.028 0.000 0.855 669 S CB 2.261 65.483 63.200 0.037 0.000 1.136 669 S HN 1.062 nan 8.310 nan 0.000 0.484 670 G N -0.918 107.879 108.800 -0.005 0.000 4.569 670 G HA2 0.512 4.472 3.960 0.001 0.000 0.221 670 G HA3 0.512 4.472 3.960 0.001 0.000 0.221 670 G C 0.937 175.805 174.900 -0.054 0.000 0.778 670 G CA 0.593 45.685 45.100 -0.015 0.000 1.115 670 G HN 2.053 nan 8.290 nan 0.000 0.774 671 G N 1.138 109.897 108.800 -0.069 0.000 2.583 671 G HA2 -0.372 3.588 3.960 0.001 0.000 0.292 671 G HA3 -0.372 3.588 3.960 0.001 0.000 0.292 671 G C 0.854 175.630 174.900 -0.206 0.000 1.203 671 G CA 0.964 45.997 45.100 -0.111 0.000 0.987 671 G HN 0.324 nan 8.290 nan 0.000 0.554 672 D N 0.037 120.243 120.400 -0.322 0.000 2.182 672 D HA -0.062 4.578 4.640 0.001 0.000 0.201 672 D C 2.684 178.523 176.300 -0.769 0.000 0.986 672 D CA 1.515 55.131 54.000 -0.641 0.000 0.847 672 D CB -0.453 39.743 40.800 -1.007 0.000 0.942 672 D HN 0.270 nan 8.370 nan 0.000 0.467 673 V N 1.001 120.634 119.914 -0.469 0.000 2.407 673 V HA -0.213 3.908 4.120 0.001 0.000 0.248 673 V C 2.330 178.369 176.094 -0.091 0.000 1.055 673 V CA 1.088 63.311 62.300 -0.128 0.000 1.049 673 V CB -0.307 31.559 31.823 0.071 0.000 0.662 673 V HN 0.161 nan 8.190 nan 0.000 0.455 674 L N -0.768 120.385 121.223 -0.115 0.000 2.179 674 L HA 0.042 4.382 4.340 0.001 0.000 0.208 674 L C 2.027 178.825 176.870 -0.119 0.000 1.096 674 L CA 1.597 56.387 54.840 -0.084 0.000 0.779 674 L CB -0.471 41.547 42.059 -0.067 0.000 0.922 674 L HN 0.187 nan 8.230 nan 0.000 0.443 675 L N -0.506 120.608 121.223 -0.182 0.000 2.141 675 L HA -0.144 4.196 4.340 0.001 0.000 0.209 675 L C 1.984 178.754 176.870 -0.167 0.000 1.094 675 L CA 1.077 55.800 54.840 -0.196 0.000 0.763 675 L CB -0.603 41.320 42.059 -0.227 0.000 0.908 675 L HN 0.344 nan 8.230 nan 0.000 0.437 676 N N -0.676 117.938 118.700 -0.143 0.000 2.453 676 N HA -0.112 4.629 4.740 0.001 0.000 0.183 676 N C 1.534 177.050 175.510 0.010 0.000 1.041 676 N CA 0.587 53.625 53.050 -0.020 0.000 0.900 676 N CB 0.237 38.798 38.487 0.124 0.000 0.961 676 N HN 0.037 nan 8.380 nan 0.000 0.443 677 V N -0.185 119.719 119.914 -0.018 0.000 2.436 677 V HA 0.005 4.125 4.120 0.001 0.000 0.240 677 V C 2.004 178.084 176.094 -0.023 0.000 1.040 677 V CA 0.752 63.054 62.300 0.003 0.000 1.052 677 V CB -0.328 31.495 31.823 0.000 0.000 0.707 677 V HN 0.225 nan 8.190 nan 0.000 0.469 678 L N 1.293 122.469 121.223 -0.079 0.000 2.191 678 L HA -0.135 4.205 4.340 0.001 0.000 0.212 678 L C 2.480 179.236 176.870 -0.191 0.000 1.103 678 L CA 1.658 56.426 54.840 -0.119 0.000 0.769 678 L CB -0.659 41.300 42.059 -0.168 0.000 0.908 678 L HN 0.526 nan 8.230 nan 0.000 0.438 679 S N -0.991 114.582 115.700 -0.212 0.000 2.555 679 S HA -0.087 4.383 4.470 0.001 0.000 0.230 679 S C 1.584 176.255 174.600 0.118 0.000 0.978 679 S CA 0.478 58.546 58.200 -0.220 0.000 0.934 679 S CB -0.160 62.965 63.200 -0.124 0.000 0.766 679 S HN 0.459 nan 8.310 nan 0.000 0.533 680 K N -0.152 120.298 120.400 0.083 0.000 2.353 680 K HA 0.279 4.599 4.320 0.001 0.000 0.195 680 K C 0.187 176.830 176.600 0.071 0.000 1.031 680 K CA -0.189 56.157 56.287 0.099 0.000 1.079 680 K CB 0.200 32.753 32.500 0.088 0.000 0.857 680 K HN 0.335 nan 8.250 nan 0.000 0.535 681 C N 0.441 119.817 119.300 0.127 0.000 2.563 681 C HA 0.366 4.827 4.460 0.001 0.000 0.358 681 C C 1.666 176.729 174.990 0.123 0.000 1.336 681 C CA -0.400 58.697 59.018 0.131 0.000 2.454 681 C CB 0.993 28.806 27.740 0.122 0.000 2.448 681 C HN 0.504 nan 8.230 nan 0.000 0.670 682 A N 0.176 123.032 122.820 0.060 0.000 2.456 682 A HA 0.470 4.791 4.320 0.001 0.000 0.237 682 A C 1.043 178.646 177.584 0.031 0.000 1.217 682 A CA 0.559 52.588 52.037 -0.013 0.000 0.962 682 A CB -0.542 18.383 19.000 -0.125 0.000 1.079 682 A HN 1.079 nan 8.150 nan 0.000 0.536 683 G N -0.068 108.775 108.800 0.073 0.000 2.414 683 G HA2 0.280 4.241 3.960 0.001 0.000 0.236 683 G HA3 0.280 4.241 3.960 0.001 0.000 0.236 683 G C 0.971 175.912 174.900 0.069 0.000 1.293 683 G CA 0.515 45.649 45.100 0.057 0.000 0.869 683 G HN 0.240 nan 8.290 nan 0.000 0.556 684 S N 1.064 116.788 115.700 0.041 0.000 2.365 684 S HA -0.112 4.359 4.470 0.001 0.000 0.225 684 S C 2.004 176.645 174.600 0.069 0.000 1.039 684 S CA 1.404 59.629 58.200 0.040 0.000 1.033 684 S CB -0.105 63.106 63.200 0.019 0.000 0.887 684 S HN 0.501 nan 8.310 nan 0.000 0.447 685 K N 0.277 120.714 120.400 0.061 0.000 2.410 685 K HA 0.234 4.555 4.320 0.001 0.000 0.200 685 K C 1.102 177.744 176.600 0.071 0.000 1.023 685 K CA 0.040 56.365 56.287 0.063 0.000 1.149 685 K CB 0.346 32.875 32.500 0.048 0.000 0.859 685 K HN 0.304 nan 8.250 nan 0.000 0.514 686 K N 0.054 120.505 120.400 0.084 0.000 2.240 686 K HA 0.106 4.427 4.320 0.001 0.000 0.202 686 K C 0.820 177.462 176.600 0.069 0.000 1.053 686 K CA -0.182 56.145 56.287 0.066 0.000 0.973 686 K CB -0.383 32.154 32.500 0.061 0.000 0.924 686 K HN 0.053 nan 8.250 nan 0.000 0.477 687 F N 3.671 123.616 119.950 -0.008 0.000 2.607 687 F HA 0.017 4.544 4.527 0.000 0.000 0.374 687 F C 0.102 175.895 175.800 -0.012 0.000 1.104 687 F CA 0.256 58.248 58.000 -0.013 0.000 1.296 687 F CB 0.497 39.486 39.000 -0.019 0.000 1.085 687 F HN -0.146 nan 8.300 nan 0.000 0.584 688 R N 5.850 125.721 120.500 -1.048 0.000 2.621 688 R HA 0.375 4.715 4.340 0.001 0.000 0.284 688 R C -2.813 172.821 176.300 -1.110 0.000 0.998 688 R CA -2.529 53.110 56.100 -0.769 0.000 0.895 688 R CB 1.609 31.693 30.300 -0.359 0.000 1.195 688 R HN 0.368 nan 8.270 nan 0.000 0.450 689 P HA 0.023 nan 4.420 nan 0.000 0.266 689 P C -0.383 176.783 177.300 -0.223 0.000 1.195 689 P CA 0.164 63.087 63.100 -0.294 0.000 0.768 689 P CB 0.565 32.249 31.700 -0.027 0.000 0.838 690 A N 5.303 128.058 122.820 -0.108 0.000 2.475 690 A HA 0.268 4.588 4.320 0.001 0.000 0.239 690 A C -1.860 175.684 177.584 -0.065 0.000 1.087 690 A CA -0.723 51.271 52.037 -0.071 0.000 0.779 690 A CB -1.584 17.425 19.000 0.015 0.000 1.036 690 A HN 0.455 nan 8.150 nan 0.000 0.506 691 P HA 0.061 nan 4.420 nan 0.000 0.269 691 P C 0.555 177.846 177.300 -0.015 0.000 1.200 691 P CA 0.952 63.998 63.100 -0.091 0.000 0.779 691 P CB 0.416 32.038 31.700 -0.129 0.000 0.841 692 A N 0.785 123.598 122.820 -0.013 0.000 2.206 692 A HA 0.445 4.766 4.320 0.001 0.000 0.211 692 A C 0.819 178.424 177.584 0.037 0.000 1.158 692 A CA 1.489 53.533 52.037 0.012 0.000 0.761 692 A CB -0.602 18.400 19.000 0.004 0.000 0.801 692 A HN 0.685 nan 8.150 nan 0.000 0.473 693 A N -2.352 120.505 122.820 0.062 0.000 2.483 693 A HA 0.656 4.977 4.320 0.001 0.000 0.294 693 A C -0.107 177.574 177.584 0.161 0.000 1.077 693 A CA -0.231 51.858 52.037 0.088 0.000 0.633 693 A CB -0.553 18.487 19.000 0.068 0.000 1.318 693 A HN 1.515 nan 8.150 nan 0.000 0.455 694 A N -0.280 122.621 122.820 0.136 0.000 2.466 694 A HA 0.616 4.937 4.320 0.001 0.000 0.238 694 A C -0.235 177.486 177.584 0.229 0.000 1.074 694 A CA 0.953 53.078 52.037 0.147 0.000 0.774 694 A CB -0.616 18.409 19.000 0.042 0.000 1.015 694 A HN 1.993 nan 8.150 nan 0.000 0.498 695 F N -1.043 118.912 119.950 0.008 0.000 2.619 695 F HA 0.741 5.269 4.527 0.001 0.000 0.308 695 F C -0.158 175.648 175.800 0.009 0.000 1.097 695 F CA -0.996 57.008 58.000 0.008 0.000 0.953 695 F CB 1.009 40.012 39.000 0.005 0.000 1.287 695 F HN 0.733 nan 8.300 nan 0.000 0.446 696 A N 2.708 125.522 122.820 -0.009 0.000 2.304 696 A HA 0.699 5.020 4.320 0.001 0.000 0.301 696 A C -0.171 177.429 177.584 0.026 0.000 1.132 696 A CA -1.008 50.974 52.037 -0.092 0.000 0.819 696 A CB 0.503 19.498 19.000 -0.009 0.000 1.094 696 A HN 0.855 nan 8.150 nan 0.000 0.492 697 R N 1.868 122.345 120.500 -0.038 0.000 2.419 697 R HA 0.215 4.555 4.340 0.001 0.000 0.305 697 R C -0.669 175.656 176.300 0.042 0.000 1.242 697 R CA -0.204 55.940 56.100 0.072 0.000 1.105 697 R CB 0.192 30.513 30.300 0.034 0.000 1.116 697 R HN 0.735 nan 8.270 nan 0.000 0.523 698 E N 1.034 121.270 120.200 0.059 0.000 2.422 698 E HA -0.010 4.341 4.350 0.001 0.000 0.260 698 E C -0.157 176.413 176.600 -0.049 0.000 1.108 698 E CA 0.143 56.554 56.400 0.018 0.000 0.943 698 E CB 0.542 30.260 29.700 0.030 0.000 0.961 698 E HN 0.492 nan 8.360 nan 0.000 0.443 699 C N 3.111 122.369 119.300 -0.070 0.000 2.605 699 C HA 0.318 4.778 4.460 0.001 0.000 0.404 699 C C 0.166 175.019 174.990 -0.228 0.000 1.284 699 C CA -0.546 58.383 59.018 -0.149 0.000 2.199 699 C CB -0.261 27.425 27.740 -0.090 0.000 2.647 699 C HN 0.474 nan 8.230 nan 0.000 0.604 700 R N 1.534 121.749 120.500 -0.475 0.000 2.532 700 R HA 0.591 4.931 4.340 0.001 0.000 0.295 700 R C 0.232 176.387 176.300 -0.241 0.000 0.968 700 R CA -0.154 55.662 56.100 -0.473 0.000 0.916 700 R CB 1.152 30.978 30.300 -0.790 0.000 1.124 700 R HN 0.948 nan 8.270 nan 0.000 0.463 701 G N 1.397 110.156 108.800 -0.069 0.000 2.437 701 G HA2 0.646 4.606 3.960 0.001 0.000 0.319 701 G HA3 0.646 4.606 3.960 0.001 0.000 0.319 701 G C -1.022 173.977 174.900 0.166 0.000 1.158 701 G CA -0.459 44.720 45.100 0.131 0.000 0.899 701 G HN 0.439 nan 8.290 nan 0.000 0.502 702 F N -0.911 119.051 119.950 0.021 0.000 2.588 702 F HA 0.642 5.169 4.527 0.001 0.000 0.314 702 F C -1.430 174.402 175.800 0.054 0.000 1.134 702 F CA -2.315 55.686 58.000 0.002 0.000 0.961 702 F CB 0.693 39.792 39.000 0.164 0.000 1.239 702 F HN 0.413 nan 8.300 nan 0.000 0.448 703 Y N 3.180 123.643 120.300 0.272 0.000 2.314 703 Y HA 0.542 5.092 4.550 0.001 0.000 0.334 703 Y C 0.107 176.167 175.900 0.266 0.000 1.266 703 Y CA -0.406 57.792 58.100 0.163 0.000 1.391 703 Y CB 0.639 39.131 38.460 0.054 0.000 1.306 703 Y HN 0.658 nan 8.280 nan 0.000 0.558 704 F N -2.269 117.769 119.950 0.148 0.000 2.685 704 F HA 0.759 5.286 4.527 0.001 0.000 0.315 704 F C -1.342 174.507 175.800 0.081 0.000 1.126 704 F CA -1.697 56.369 58.000 0.110 0.000 0.950 704 F CB 1.420 40.422 39.000 0.003 0.000 1.360 704 F HN 0.346 nan 8.300 nan 0.000 0.469 705 E N 1.075 121.404 120.200 0.215 0.000 2.238 705 E HA 0.604 4.954 4.350 0.001 0.000 0.267 705 E C -1.899 174.814 176.600 0.189 0.000 0.887 705 E CA -1.056 55.408 56.400 0.106 0.000 0.769 705 E CB 3.092 32.841 29.700 0.081 0.000 1.187 705 E HN 0.526 nan 8.360 nan 0.000 0.416 706 L N 2.502 123.820 121.223 0.158 0.000 2.322 706 L HA 0.296 4.637 4.340 0.001 0.000 0.281 706 L C -1.118 175.858 176.870 0.176 0.000 1.014 706 L CA -0.474 54.488 54.840 0.204 0.000 0.815 706 L CB 1.629 43.829 42.059 0.234 0.000 1.247 706 L HN 0.399 nan 8.230 nan 0.000 0.421 707 Q N 3.241 123.129 119.800 0.147 0.000 2.339 707 Q HA 0.268 4.609 4.340 0.001 0.000 0.268 707 Q C -0.863 175.078 176.000 -0.099 0.000 1.027 707 Q CA -0.350 55.479 55.803 0.043 0.000 0.759 707 Q CB 1.239 29.985 28.738 0.014 0.000 1.244 707 Q HN 0.573 nan 8.270 nan 0.000 0.464 708 E N 4.714 124.758 120.200 -0.259 0.000 2.351 708 E HA 0.190 4.540 4.350 0.001 0.000 0.266 708 E C -0.922 175.450 176.600 -0.379 0.000 1.031 708 E CA 0.033 56.007 56.400 -0.710 0.000 0.911 708 E CB 0.446 29.800 29.700 -0.577 0.000 0.986 708 E HN 0.657 nan 8.360 nan 0.000 0.446 709 L N 3.940 124.941 121.223 -0.370 0.000 2.298 709 L HA 0.423 4.764 4.340 0.001 0.000 0.268 709 L C 0.669 177.456 176.870 -0.139 0.000 1.010 709 L CA -1.196 53.539 54.840 -0.175 0.000 0.812 709 L CB 1.281 43.281 42.059 -0.098 0.000 1.331 709 L HN 0.616 nan 8.230 nan 0.000 0.450 710 K N 0.091 120.449 120.400 -0.071 0.000 2.284 710 K HA 0.217 4.537 4.320 0.001 0.000 0.243 710 K C -0.450 176.139 176.600 -0.018 0.000 1.075 710 K CA -0.556 55.706 56.287 -0.042 0.000 0.868 710 K CB 0.346 32.833 32.500 -0.021 0.000 1.157 710 K HN 0.428 nan 8.250 nan 0.000 0.512 711 E N -0.031 120.171 120.200 0.003 0.000 2.343 711 E HA 0.168 4.518 4.350 0.001 0.000 0.269 711 E C -1.128 175.495 176.600 0.039 0.000 1.047 711 E CA -0.166 56.251 56.400 0.029 0.000 0.874 711 E CB 1.237 30.953 29.700 0.027 0.000 1.033 711 E HN 0.452 nan 8.360 nan 0.000 0.409 712 D N -0.166 120.273 120.400 0.065 0.000 2.692 712 D HA 0.113 4.753 4.640 0.001 0.000 0.290 712 D C -1.675 174.668 176.300 0.072 0.000 1.281 712 D CA -0.612 53.429 54.000 0.068 0.000 0.804 712 D CB 1.190 42.044 40.800 0.090 0.000 1.331 712 D HN 0.192 nan 8.370 nan 0.000 0.432 713 D N 0.612 121.043 120.400 0.052 0.000 2.382 713 D HA 0.236 4.876 4.640 0.001 0.000 0.245 713 D C -0.558 175.794 176.300 0.086 0.000 1.120 713 D CA 0.383 54.354 54.000 -0.049 0.000 0.890 713 D CB 0.543 41.314 40.800 -0.048 0.000 1.201 713 D HN 0.288 nan 8.370 nan 0.000 0.433 714 Y N -0.682 119.579 120.300 -0.065 0.000 2.485 714 Y HA 0.604 5.154 4.550 0.001 0.000 0.345 714 Y C -1.589 174.233 175.900 -0.129 0.000 0.998 714 Y CA -1.541 56.590 58.100 0.051 0.000 1.059 714 Y CB 0.758 39.246 38.460 0.047 0.000 1.234 714 Y HN 0.155 nan 8.280 nan 0.000 0.461 715 Y N 1.792 122.325 120.300 0.390 0.000 2.331 715 Y HA 0.744 5.295 4.550 0.001 0.000 0.334 715 Y C 0.407 176.528 175.900 0.367 0.000 0.960 715 Y CA -1.232 57.050 58.100 0.304 0.000 1.130 715 Y CB 2.129 40.711 38.460 0.202 0.000 1.164 715 Y HN 1.049 nan 8.280 nan 0.000 0.458 716 G N 2.115 111.159 108.800 0.408 0.000 2.511 716 G HA2 0.732 4.693 3.960 0.001 0.000 0.318 716 G HA3 0.732 4.693 3.960 0.001 0.000 0.318 716 G C -1.733 173.316 174.900 0.248 0.000 1.210 716 G CA -0.788 44.526 45.100 0.355 0.000 0.969 716 G HN 0.367 nan 8.290 nan 0.000 0.484 717 I N 0.249 120.946 120.570 0.210 0.000 2.466 717 I HA 0.378 4.549 4.170 0.001 0.000 0.289 717 I C 0.081 176.200 176.117 0.003 0.000 1.026 717 I CA -0.335 60.971 61.300 0.010 0.000 1.078 717 I CB 2.347 40.192 38.000 -0.258 0.000 1.249 717 I HN 0.313 nan 8.210 nan 0.000 0.429 718 T N 6.640 121.192 114.554 -0.004 0.000 2.795 718 T HA 0.678 5.028 4.350 0.001 0.000 0.282 718 T C 0.160 174.851 174.700 -0.015 0.000 0.980 718 T CA -0.456 61.655 62.100 0.020 0.000 1.012 718 T CB 0.801 69.690 68.868 0.035 0.000 0.936 718 T HN 0.238 nan 8.240 nan 0.000 0.457 719 L N 1.522 122.759 121.223 0.023 0.000 2.397 719 L HA 0.551 4.892 4.340 0.001 0.000 0.266 719 L C 1.252 178.152 176.870 0.051 0.000 1.040 719 L CA -1.146 53.701 54.840 0.011 0.000 0.800 719 L CB 0.887 42.959 42.059 0.021 0.000 1.324 719 L HN 0.727 nan 8.230 nan 0.000 0.469 720 S N -1.490 114.224 115.700 0.023 0.000 2.598 720 S HA -0.002 4.469 4.470 0.001 0.000 0.256 720 S C 0.307 174.960 174.600 0.089 0.000 1.350 720 S CA -0.373 57.845 58.200 0.030 0.000 0.984 720 S CB 0.602 63.798 63.200 -0.006 0.000 0.930 720 S HN 0.570 nan 8.310 nan 0.000 0.577 721 D N 0.604 121.054 120.400 0.084 0.000 2.249 721 D HA 0.029 4.670 4.640 0.001 0.000 0.205 721 D C 1.238 177.598 176.300 0.099 0.000 0.962 721 D CA 1.278 55.367 54.000 0.147 0.000 0.860 721 D CB -0.404 40.450 40.800 0.090 0.000 0.955 721 D HN 0.824 nan 8.370 nan 0.000 0.505 722 D N -0.433 119.968 120.400 0.001 0.000 2.348 722 D HA -0.023 4.618 4.640 0.001 0.000 0.211 722 D C 0.699 176.906 176.300 -0.155 0.000 0.998 722 D CA -0.008 53.961 54.000 -0.051 0.000 0.873 722 D CB -0.264 40.518 40.800 -0.029 0.000 0.925 722 D HN 0.008 nan 8.370 nan 0.000 0.524 723 S N 0.685 116.252 115.700 -0.221 0.000 2.608 723 S HA 0.050 4.520 4.470 0.001 0.000 0.261 723 S C 0.967 175.237 174.600 -0.548 0.000 1.314 723 S CA -0.252 57.780 58.200 -0.280 0.000 0.992 723 S CB 0.978 64.071 63.200 -0.179 0.000 0.935 723 S HN 0.196 nan 8.310 nan 0.000 0.564 724 D N -0.771 119.433 120.400 -0.327 0.000 2.378 724 D HA -0.137 4.503 4.640 0.001 0.000 0.227 724 D C 0.342 176.497 176.300 -0.243 0.000 1.012 724 D CA 0.604 54.446 54.000 -0.264 0.000 0.905 724 D CB -0.907 39.833 40.800 -0.100 0.000 0.895 724 D HN 0.749 nan 8.370 nan 0.000 0.532 725 H N -1.068 117.960 119.070 -0.070 0.000 2.936 725 H HA -0.156 4.400 4.556 0.001 0.000 0.276 725 H C -0.598 174.552 175.328 -0.297 0.000 1.216 725 H CA 1.031 56.975 56.048 -0.172 0.000 1.132 725 H CB -2.314 27.323 29.762 -0.208 0.000 1.303 725 H HN 0.480 nan 8.280 nan 0.000 0.370 726 Q N -0.578 119.199 119.800 -0.039 0.000 2.421 726 Q HA 0.644 4.985 4.340 0.001 0.000 0.280 726 Q C -0.405 175.673 176.000 0.130 0.000 1.085 726 Q CA -0.928 54.864 55.803 -0.019 0.000 0.807 726 Q CB 2.797 31.492 28.738 -0.072 0.000 1.405 726 Q HN 0.154 nan 8.270 nan 0.000 0.419 727 F N -1.209 118.683 119.950 -0.097 0.000 2.711 727 F HA 0.701 5.228 4.527 0.001 0.000 0.313 727 F C -2.088 173.642 175.800 -0.117 0.000 1.141 727 F CA -1.343 56.597 58.000 -0.100 0.000 0.941 727 F CB 0.914 39.851 39.000 -0.104 0.000 1.349 727 F HN 0.318 nan 8.300 nan 0.000 0.464 728 L N 2.777 123.941 121.223 -0.098 0.000 2.325 728 L HA 0.579 4.919 4.340 0.001 0.000 0.278 728 L C -0.259 176.491 176.870 -0.199 0.000 1.023 728 L CA -0.965 53.748 54.840 -0.212 0.000 0.811 728 L CB 1.635 43.646 42.059 -0.079 0.000 1.249 728 L HN 0.605 nan 8.230 nan 0.000 0.431 729 L N 1.194 122.237 121.223 -0.300 0.000 2.479 729 L HA 0.326 4.666 4.340 0.001 0.000 0.249 729 L C 1.587 178.376 176.870 -0.136 0.000 1.178 729 L CA -0.230 54.463 54.840 -0.246 0.000 0.811 729 L CB 0.995 42.853 42.059 -0.336 0.000 1.187 729 L HN 0.833 nan 8.230 nan 0.000 0.480 730 A N 1.123 123.879 122.820 -0.107 0.000 2.024 730 A HA -0.196 4.125 4.320 0.001 0.000 0.220 730 A C 1.439 178.969 177.584 -0.089 0.000 1.164 730 A CA 1.953 53.942 52.037 -0.080 0.000 0.643 730 A CB -0.855 18.104 19.000 -0.069 0.000 0.806 730 A HN 0.910 nan 8.150 nan 0.000 0.451 731 N N -1.287 117.347 118.700 -0.110 0.000 2.362 731 N HA 0.080 4.820 4.740 0.001 0.000 0.204 731 N C 0.355 175.773 175.510 -0.152 0.000 1.166 731 N CA 0.661 53.627 53.050 -0.140 0.000 0.831 731 N CB -0.246 38.153 38.487 -0.148 0.000 1.008 731 N HN 0.599 nan 8.380 nan 0.000 0.472 732 Q N -2.165 117.577 119.800 -0.097 0.000 2.324 732 Q HA -0.142 4.198 4.340 0.001 0.000 0.200 732 Q C -0.962 175.040 176.000 0.003 0.000 0.645 732 Q CA 0.835 56.621 55.803 -0.028 0.000 1.377 732 Q CB -1.738 27.026 28.738 0.043 0.000 1.486 732 Q HN 0.293 nan 8.270 nan 0.000 0.796 733 V N 1.688 121.560 119.914 -0.070 0.000 2.521 733 V HA 0.051 4.172 4.120 0.001 0.000 0.286 733 V C 0.741 176.746 176.094 -0.149 0.000 1.034 733 V CA 0.206 62.493 62.300 -0.022 0.000 1.045 733 V CB 1.356 33.168 31.823 -0.019 0.000 0.974 733 V HN 0.061 nan 8.190 nan 0.000 0.480 734 V N 7.378 127.249 119.914 -0.070 0.000 2.397 734 V HA 0.176 4.297 4.120 0.001 0.000 0.262 734 V C 0.277 176.217 176.094 -0.255 0.000 1.047 734 V CA 0.039 62.238 62.300 -0.169 0.000 1.003 734 V CB 0.727 32.504 31.823 -0.076 0.000 1.037 734 V HN 0.735 nan 8.190 nan 0.000 0.480 735 V N 2.272 121.895 119.914 -0.486 0.000 2.975 735 V HA 0.596 4.717 4.120 0.001 0.000 0.318 735 V C 0.031 175.960 176.094 -0.275 0.000 1.077 735 V CA -0.949 61.097 62.300 -0.423 0.000 1.000 735 V CB 1.832 33.290 31.823 -0.608 0.000 1.066 735 V HN 0.741 nan 8.190 nan 0.000 0.452 736 H N 1.164 120.199 119.070 -0.058 0.000 2.481 736 H HA 0.418 4.974 4.556 0.001 0.000 0.339 736 H C 0.377 175.898 175.328 0.320 0.000 1.131 736 H CA 0.476 56.577 56.048 0.087 0.000 1.301 736 H CB 1.867 31.649 29.762 0.033 0.000 1.476 736 H HN 1.021 nan 8.280 nan 0.000 0.529 737 S N 2.293 118.115 115.700 0.203 0.000 2.573 737 S HA 0.017 4.488 4.470 0.001 0.000 0.277 737 S C -0.256 174.580 174.600 0.393 0.000 1.346 737 S CA -0.461 57.965 58.200 0.377 0.000 1.034 737 S CB 0.240 63.544 63.200 0.173 0.000 0.879 737 S HN 0.603 nan 8.310 nan 0.000 0.528 738 S N 3.118 118.991 115.700 0.289 0.000 2.400 738 S HA 0.618 5.088 4.470 0.001 0.000 0.295 738 S C 0.300 174.964 174.600 0.106 0.000 1.113 738 S CA -0.209 58.089 58.200 0.165 0.000 1.064 738 S CB 0.384 63.678 63.200 0.156 0.000 0.990 738 S HN 0.979 nan 8.310 nan 0.000 0.502 739 G N 2.637 111.481 108.800 0.073 0.000 2.646 739 G HA2 0.563 4.523 3.960 0.001 0.000 0.291 739 G HA3 0.563 4.523 3.960 0.001 0.000 0.291 739 G C -1.370 173.527 174.900 -0.005 0.000 1.445 739 G CA -0.901 44.220 45.100 0.036 0.000 0.814 739 G HN 0.455 nan 8.290 nan 0.000 0.495 740 E N 0.037 120.230 120.200 -0.012 0.000 2.605 740 E HA 0.715 5.065 4.350 0.001 0.000 0.255 740 E C 0.819 177.394 176.600 -0.042 0.000 1.369 740 E CA -0.301 56.083 56.400 -0.026 0.000 1.017 740 E CB 0.514 30.206 29.700 -0.014 0.000 1.086 740 E HN 0.732 nan 8.360 nan 0.000 0.605 741 R N 0.000 120.475 120.500 -0.042 0.000 2.786 741 R HA 0.000 4.340 4.340 0.001 0.000 0.208 741 R CA 0.000 56.072 56.100 -0.047 0.000 0.921 741 R CB 0.000 30.258 30.300 -0.070 0.000 0.687 741 R HN 0.000 nan 8.270 nan 0.000 0.535