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 1ggy_1_B DATA FIRST_RESID 8 DATA SEQUENCE FGGRRAVPPN NSNAAEDDLP TVELQGXXXX XXXXQEFLNV TSVHLFKERW DATA SEQUENCE DTNKVDHHTD KYENNKLIVR RGQSFYVQID FSRPYDPRRD LFRVEYVIGR DATA SEQUENCE YPQENKGTYI PVPIVSELQS GKWGAKIVMR EDRSVRLSIQ SSPKCIVGKF DATA SEQUENCE RMYVAVWTPY GVLRTSRNPE TDTYILFNPW CEDDAVYLDN EKEREEYVLN DATA SEQUENCE DIGVIFYGEV NDIKTRSWSY GQFEDGILDT CLYVMDRAQM DLSGRGNPIK DATA SEQUENCE VSRVGSAMVN AKDDEGVLVG SWDNIYAYGV PPSAWTGSVD ILLEYRSSEN DATA SEQUENCE PVRYGQCWVF AGVFNTFLRC LGIPARIVTN YFSAHDNDAN LQMDIFLEED DATA SEQUENCE GNVNSKLTKD SVWNYHCWNE AWMTRPDLPV GFGGWQAVDS TPQENSDGMY DATA SEQUENCE RCGPASVQAI KHGHVCFQFD APFVFAEVNS DLIYITAKKD GTHVVENVDA DATA SEQUENCE THIGKLIVTK QIGGDGMMDI TDTYKFQEGQ EEERLALETA LMYGAKKPLN DATA SEQUENCE TXXXXXXXSN VDMDFEVENA VLGKDFKLSI TFRNNSHNRY TITAYLSANI DATA SEQUENCE TFYTGVPKAE FKKETFDVTL EPLSFKKEAV LIQAGEYMGQ LLEQASLHFF DATA SEQUENCE VTARINETRD VLAKQKSTVL TIPEIIIKVR GTQVVGSDMT VTVEFTNPLK DATA SEQUENCE ETLRNVWVHL DGPGVTRPMK KMFREIRPNS TVQWEEVCRP WVSGHRKLIA DATA SEQUENCE SMSSDSLRHV YGELDVQIQR 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 8 F HA 0.000 nan 4.527 nan 0.000 0.279 8 F C 0.000 175.783 175.800 -0.028 0.000 0.967 8 F CA 0.000 57.988 58.000 -0.020 0.000 1.383 8 F CB 0.000 38.990 39.000 -0.017 0.000 1.145 9 G N 0.765 109.032 108.800 -0.889 0.000 2.792 9 G HA2 0.336 4.296 3.960 -0.000 0.000 0.201 9 G HA3 0.336 4.296 3.960 -0.000 0.000 0.201 9 G C 1.868 176.337 174.900 -0.719 0.000 1.322 9 G CA 1.402 46.129 45.100 -0.622 0.000 0.910 9 G HN 2.434 nan 8.290 nan 0.000 0.535 10 G N 0.340 108.813 108.800 -0.546 0.000 4.526 10 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.217 10 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.217 10 G C 1.289 176.061 174.900 -0.213 0.000 1.428 10 G CA 1.904 46.791 45.100 -0.355 0.000 0.928 10 G HN 1.566 nan 8.290 nan 0.000 0.639 11 R N 2.206 122.579 120.500 -0.212 0.000 2.075 11 R HA 0.192 4.532 4.340 -0.000 0.000 0.226 11 R C 1.278 177.502 176.300 -0.127 0.000 1.114 11 R CA 2.042 58.057 56.100 -0.142 0.000 0.972 11 R CB -0.159 30.065 30.300 -0.127 0.000 0.869 11 R HN 0.880 nan 8.270 nan 0.000 0.437 12 R N -2.874 117.535 120.500 -0.153 0.000 2.634 12 R HA 0.495 4.835 4.340 -0.000 0.000 0.263 12 R C 0.070 176.289 176.300 -0.135 0.000 1.060 12 R CA -0.051 55.973 56.100 -0.126 0.000 0.898 12 R CB 0.818 31.049 30.300 -0.114 0.000 1.253 12 R HN -0.056 nan 8.270 nan 0.000 0.461 13 A N 2.317 125.078 122.820 -0.099 0.000 1.873 13 A HA -0.064 4.256 4.320 -0.000 0.000 0.218 13 A C 0.877 178.402 177.584 -0.099 0.000 1.193 13 A CA 1.912 53.902 52.037 -0.078 0.000 0.629 13 A CB -0.209 18.763 19.000 -0.047 0.000 0.826 13 A HN 0.463 nan 8.150 nan 0.000 0.447 14 V N 0.437 120.275 119.914 -0.126 0.000 2.459 14 V HA 0.531 4.651 4.120 -0.000 0.000 0.295 14 V C -2.730 173.163 176.094 -0.335 0.000 1.029 14 V CA -2.651 59.526 62.300 -0.206 0.000 0.874 14 V CB 1.548 33.293 31.823 -0.129 0.000 0.985 14 V HN 0.246 nan 8.190 nan 0.000 0.438 15 P HA 0.192 nan 4.420 nan 0.000 0.270 15 P C -2.748 174.259 177.300 -0.488 0.000 1.221 15 P CA -0.779 61.986 63.100 -0.558 0.000 0.788 15 P CB -0.284 30.960 31.700 -0.761 0.000 0.904 16 P HA 0.033 nan 4.420 nan 0.000 0.271 16 P C -0.553 176.748 177.300 0.002 0.000 1.226 16 P CA 0.101 63.137 63.100 -0.107 0.000 0.765 16 P CB 0.187 31.851 31.700 -0.060 0.000 0.835 17 N N 3.942 122.683 118.700 0.068 0.000 2.482 17 N HA 0.036 4.776 4.740 -0.000 0.000 0.242 17 N C 0.023 175.583 175.510 0.084 0.000 1.100 17 N CA -0.179 52.976 53.050 0.175 0.000 0.946 17 N CB -0.635 37.944 38.487 0.154 0.000 1.227 17 N HN 0.333 nan 8.380 nan 0.000 0.508 18 N N 0.442 119.189 118.700 0.078 0.000 2.475 18 N HA 0.121 4.861 4.740 -0.000 0.000 0.272 18 N C -1.181 174.344 175.510 0.025 0.000 1.482 18 N CA -0.516 52.557 53.050 0.038 0.000 0.863 18 N CB 0.169 38.671 38.487 0.025 0.000 1.400 18 N HN 0.088 nan 8.380 nan 0.000 0.489 19 S N -0.421 115.292 115.700 0.022 0.000 2.541 19 S HA 0.413 4.883 4.470 -0.000 0.000 0.280 19 S C -0.085 174.505 174.600 -0.018 0.000 1.112 19 S CA -0.697 57.506 58.200 0.006 0.000 0.925 19 S CB 1.334 64.541 63.200 0.012 0.000 1.067 19 S HN 0.353 nan 8.310 nan 0.000 0.479 20 N N 2.377 121.064 118.700 -0.021 0.000 2.405 20 N HA 0.148 4.888 4.740 -0.000 0.000 0.175 20 N C 1.592 177.071 175.510 -0.051 0.000 1.051 20 N CA 0.716 53.731 53.050 -0.057 0.000 0.899 20 N CB -0.080 38.379 38.487 -0.045 0.000 1.000 20 N HN 0.604 nan 8.380 nan 0.000 0.451 21 A N 0.971 123.782 122.820 -0.015 0.000 1.897 21 A HA 0.314 4.634 4.320 -0.000 0.000 0.215 21 A C 1.117 178.684 177.584 -0.028 0.000 1.181 21 A CA 0.617 52.649 52.037 -0.009 0.000 0.620 21 A CB -0.673 18.345 19.000 0.030 0.000 0.821 21 A HN 0.339 nan 8.150 nan 0.000 0.443 22 A N 0.877 123.677 122.820 -0.032 0.000 2.540 22 A HA 0.421 4.741 4.320 -0.000 0.000 0.239 22 A C 0.133 177.665 177.584 -0.087 0.000 1.061 22 A CA 0.511 52.514 52.037 -0.056 0.000 0.758 22 A CB -0.294 18.671 19.000 -0.058 0.000 0.991 22 A HN 0.668 nan 8.150 nan 0.000 0.502 23 E N 1.959 122.103 120.200 -0.094 0.000 2.356 23 E HA 0.516 4.866 4.350 -0.000 0.000 0.275 23 E C -1.696 174.836 176.600 -0.114 0.000 0.904 23 E CA -1.002 55.343 56.400 -0.092 0.000 0.757 23 E CB 1.687 31.362 29.700 -0.043 0.000 1.232 23 E HN 0.655 nan 8.360 nan 0.000 0.442 24 D N 1.494 121.822 120.400 -0.121 0.000 2.326 24 D HA 0.341 4.981 4.640 -0.000 0.000 0.251 24 D C -0.842 175.417 176.300 -0.069 0.000 1.023 24 D CA -0.515 53.409 54.000 -0.128 0.000 0.966 24 D CB 1.577 42.275 40.800 -0.170 0.000 1.156 24 D HN 0.271 nan 8.370 nan 0.000 0.494 25 D N -0.068 120.287 120.400 -0.075 0.000 2.168 25 D HA 0.384 5.024 4.640 -0.000 0.000 0.246 25 D C -0.396 175.824 176.300 -0.133 0.000 1.050 25 D CA -0.444 53.517 54.000 -0.065 0.000 0.857 25 D CB 1.275 42.044 40.800 -0.051 0.000 1.169 25 D HN 0.254 nan 8.370 nan 0.000 0.453 26 L N 4.074 125.159 121.223 -0.230 0.000 2.325 26 L HA 0.424 4.764 4.340 -0.000 0.000 0.279 26 L C -1.774 174.943 176.870 -0.255 0.000 1.054 26 L CA -1.756 52.893 54.840 -0.317 0.000 0.804 26 L CB 1.300 43.018 42.059 -0.569 0.000 1.200 26 L HN 0.257 nan 8.230 nan 0.000 0.436 27 P HA 0.027 nan 4.420 nan 0.000 0.267 27 P C 0.576 177.775 177.300 -0.168 0.000 1.205 27 P CA -0.230 62.773 63.100 -0.162 0.000 0.765 27 P CB 0.854 32.466 31.700 -0.148 0.000 0.828 28 T N -0.020 114.462 114.554 -0.121 0.000 2.962 28 T HA 0.044 4.394 4.350 -0.000 0.000 0.270 28 T C 0.793 175.433 174.700 -0.100 0.000 1.088 28 T CA 0.557 62.601 62.100 -0.095 0.000 1.127 28 T CB -0.166 68.670 68.868 -0.053 0.000 0.883 28 T HN 0.280 nan 8.240 nan 0.000 0.493 29 V N 1.728 121.578 119.914 -0.107 0.000 2.932 29 V HA 0.559 4.679 4.120 -0.000 0.000 0.307 29 V C -1.536 174.483 176.094 -0.125 0.000 1.147 29 V CA -1.180 61.052 62.300 -0.113 0.000 0.951 29 V CB 2.270 34.047 31.823 -0.078 0.000 1.031 29 V HN 0.617 nan 8.190 nan 0.000 0.426 30 E N 4.689 124.799 120.200 -0.150 0.000 2.466 30 E HA 0.625 4.975 4.350 -0.000 0.000 0.308 30 E C -1.962 174.550 176.600 -0.146 0.000 0.933 30 E CA -0.711 55.603 56.400 -0.142 0.000 0.800 30 E CB 1.493 31.095 29.700 -0.164 0.000 1.434 30 E HN 0.503 nan 8.360 nan 0.000 0.389 31 L N 1.790 122.955 121.223 -0.098 0.000 2.319 31 L HA 0.608 4.948 4.340 -0.000 0.000 0.267 31 L C -0.299 176.544 176.870 -0.044 0.000 1.011 31 L CA -0.897 53.904 54.840 -0.064 0.000 0.818 31 L CB 2.145 44.189 42.059 -0.024 0.000 1.316 31 L HN 0.571 nan 8.230 nan 0.000 0.432 32 Q N 1.572 121.363 119.800 -0.016 0.000 2.406 32 Q HA 0.569 4.909 4.340 -0.000 0.000 0.244 32 Q C -0.920 175.090 176.000 0.017 0.000 0.884 32 Q CA -0.048 55.748 55.803 -0.012 0.000 0.813 32 Q CB 2.172 30.895 28.738 -0.025 0.000 1.368 32 Q HN 0.917 nan 8.270 nan 0.000 0.439 43 E N 1.613 121.804 120.200 -0.016 0.000 3.625 43 E HA 0.106 4.456 4.350 -0.000 0.000 0.166 43 E C -0.650 175.886 176.600 -0.106 0.000 0.978 43 E CA -0.244 56.121 56.400 -0.059 0.000 1.429 43 E CB -0.858 28.770 29.700 -0.119 0.000 1.100 43 E HN 0.301 nan 8.360 nan 0.000 0.428 44 F N 0.973 120.915 119.950 -0.012 0.000 2.699 44 F HA 0.385 4.912 4.527 0.000 0.000 0.298 44 F C 0.511 176.264 175.800 -0.079 0.000 1.154 44 F CA 0.197 58.181 58.000 -0.026 0.000 1.457 44 F CB 0.082 39.082 39.000 -0.001 0.000 1.106 44 F HN 0.097 nan 8.300 nan 0.000 0.585 45 L N -0.067 121.194 121.223 0.063 0.000 5.393 45 L HA 0.065 4.405 4.340 -0.000 0.000 0.225 45 L C -1.657 175.183 176.870 -0.050 0.000 1.070 45 L CA -0.634 54.129 54.840 -0.128 0.000 0.759 45 L CB -0.002 41.838 42.059 -0.366 0.000 1.357 45 L HN 0.073 nan 8.230 nan 0.000 0.198 46 N N 0.749 119.434 118.700 -0.026 0.000 2.367 46 N HA 0.711 5.451 4.740 -0.000 0.000 0.278 46 N C -1.198 174.433 175.510 0.201 0.000 1.117 46 N CA -0.124 52.974 53.050 0.080 0.000 0.867 46 N CB 3.045 41.575 38.487 0.071 0.000 1.649 46 N HN 0.578 nan 8.380 nan 0.000 0.479 47 V N -0.091 119.944 119.914 0.202 0.000 2.498 47 V HA 0.485 4.605 4.120 -0.000 0.000 0.279 47 V C 1.292 177.427 176.094 0.068 0.000 1.048 47 V CA 0.111 62.517 62.300 0.177 0.000 0.967 47 V CB 0.833 32.710 31.823 0.090 0.000 0.988 47 V HN 0.885 nan 8.190 nan 0.000 0.473 48 T N 0.986 115.559 114.554 0.031 0.000 3.040 48 T HA 0.305 4.655 4.350 -0.000 0.000 0.252 48 T C 0.783 175.456 174.700 -0.045 0.000 1.064 48 T CA 0.588 62.693 62.100 0.009 0.000 1.110 48 T CB -0.102 68.783 68.868 0.029 0.000 0.921 48 T HN 1.653 nan 8.240 nan 0.000 0.480 49 S N -0.584 115.042 115.700 -0.123 0.000 2.578 49 S HA 0.615 5.085 4.470 -0.000 0.000 0.272 49 S C -1.876 172.461 174.600 -0.438 0.000 1.145 49 S CA -0.780 57.268 58.200 -0.253 0.000 0.835 49 S CB 1.805 64.867 63.200 -0.231 0.000 1.104 49 S HN 0.198 nan 8.310 nan 0.000 0.458 50 V N 3.488 123.077 119.914 -0.542 0.000 2.588 50 V HA 0.585 4.705 4.120 -0.000 0.000 0.304 50 V C -1.281 174.406 176.094 -0.678 0.000 1.042 50 V CA -0.505 61.489 62.300 -0.509 0.000 0.877 50 V CB 1.798 33.455 31.823 -0.277 0.000 0.996 50 V HN 0.984 nan 8.190 nan 0.000 0.425 51 H N 5.950 124.870 119.070 -0.250 0.000 2.646 51 H HA 0.488 5.044 4.556 0.000 0.000 0.328 51 H C -0.900 174.088 175.328 -0.568 0.000 0.998 51 H CA -0.517 55.309 56.048 -0.370 0.000 1.225 51 H CB 1.727 31.255 29.762 -0.391 0.000 1.457 51 H HN 0.422 nan 8.280 nan 0.000 0.505 52 L N 3.967 125.010 121.223 -0.300 0.000 2.297 52 L HA 0.276 4.616 4.340 -0.000 0.000 0.277 52 L C -0.194 176.553 176.870 -0.205 0.000 1.040 52 L CA -0.776 53.935 54.840 -0.215 0.000 0.867 52 L CB 0.054 42.081 42.059 -0.055 0.000 1.244 52 L HN 0.350 nan 8.230 nan 0.000 0.433 53 F N 3.135 123.145 119.950 0.099 0.000 2.563 53 F HA 0.006 4.533 4.527 0.000 0.000 0.323 53 F C 1.407 177.184 175.800 -0.039 0.000 1.297 53 F CA 0.192 58.211 58.000 0.032 0.000 1.026 53 F CB -0.871 38.165 39.000 0.061 0.000 1.410 53 F HN 0.494 nan 8.300 nan 0.000 0.656 54 K N 0.798 121.201 120.400 0.003 0.000 2.027 54 K HA -0.017 4.303 4.320 -0.000 0.000 0.215 54 K C 0.318 176.791 176.600 -0.211 0.000 1.027 54 K CA -0.065 56.167 56.287 -0.091 0.000 0.967 54 K CB -0.189 32.248 32.500 -0.105 0.000 0.867 54 K HN 0.191 nan 8.250 nan 0.000 0.449 55 E N 1.487 121.474 120.200 -0.355 0.000 2.141 55 E HA -0.244 4.106 4.350 -0.000 0.000 0.377 55 E C 0.919 177.146 176.600 -0.622 0.000 0.374 55 E CA 0.431 56.399 56.400 -0.720 0.000 1.356 55 E CB -0.070 28.778 29.700 -1.420 0.000 0.341 55 E HN 0.327 nan 8.360 nan 0.000 0.369 56 R N 2.206 122.456 120.500 -0.416 0.000 2.133 56 R HA -0.229 4.111 4.340 -0.000 0.000 0.245 56 R C 2.166 178.414 176.300 -0.087 0.000 1.137 56 R CA 2.707 58.711 56.100 -0.160 0.000 0.947 56 R CB -0.849 29.443 30.300 -0.013 0.000 0.865 56 R HN 0.778 nan 8.270 nan 0.000 0.437 57 W N 2.043 123.352 121.300 0.015 0.000 2.402 57 W HA 0.069 4.729 4.660 0.000 0.000 0.286 57 W C 0.450 176.973 176.519 0.006 0.000 1.221 57 W CA -0.520 56.828 57.345 0.006 0.000 1.257 57 W CB -0.616 28.847 29.460 0.004 0.000 1.120 57 W HN -0.159 nan 8.180 nan 0.000 0.551 58 D N 1.137 121.336 120.400 -0.335 0.000 2.346 58 D HA -0.066 4.574 4.640 -0.000 0.000 0.236 58 D C 1.600 177.903 176.300 0.005 0.000 1.259 58 D CA 1.548 55.480 54.000 -0.114 0.000 0.898 58 D CB 1.382 42.032 40.800 -0.250 0.000 1.178 58 D HN 0.007 nan 8.370 nan 0.000 0.457 59 T N 1.386 115.970 114.554 0.049 0.000 2.555 59 T HA -0.205 4.145 4.350 -0.000 0.000 0.264 59 T C 1.555 176.322 174.700 0.112 0.000 1.083 59 T CA 1.140 63.289 62.100 0.083 0.000 1.179 59 T CB -0.403 68.534 68.868 0.116 0.000 0.863 59 T HN 0.375 nan 8.240 nan 0.000 0.412 60 N N 1.382 120.185 118.700 0.172 0.000 2.023 60 N HA -0.145 4.595 4.740 -0.000 0.000 0.200 60 N C 1.847 177.398 175.510 0.068 0.000 1.048 60 N CA 1.530 54.672 53.050 0.153 0.000 0.872 60 N CB -0.406 38.145 38.487 0.107 0.000 1.070 60 N HN 0.462 nan 8.380 nan 0.000 0.441 61 K N 0.395 120.781 120.400 -0.025 0.000 2.063 61 K HA -0.075 4.245 4.320 -0.000 0.000 0.208 61 K C 2.104 178.663 176.600 -0.069 0.000 1.048 61 K CA 0.935 57.191 56.287 -0.052 0.000 0.928 61 K CB -0.335 32.119 32.500 -0.076 0.000 0.713 61 K HN 0.001 nan 8.250 nan 0.000 0.442 62 V N 1.991 121.861 119.914 -0.073 0.000 2.261 62 V HA -0.249 3.871 4.120 -0.000 0.000 0.246 62 V C 1.474 177.398 176.094 -0.283 0.000 1.047 62 V CA 2.042 64.268 62.300 -0.123 0.000 1.015 62 V CB -0.429 31.360 31.823 -0.056 0.000 0.642 62 V HN 0.274 nan 8.190 nan 0.000 0.446 63 D N -1.384 118.882 120.400 -0.224 0.000 2.310 63 D HA -0.108 4.532 4.640 -0.000 0.000 0.212 63 D C 1.855 177.735 176.300 -0.699 0.000 0.965 63 D CA 0.990 54.761 54.000 -0.383 0.000 0.879 63 D CB -0.224 40.485 40.800 -0.151 0.000 0.921 63 D HN 0.545 nan 8.370 nan 0.000 0.510 64 H N -1.145 117.623 119.070 -0.503 0.000 2.529 64 H HA 0.094 4.650 4.556 -0.000 0.000 0.277 64 H C 0.106 175.164 175.328 -0.450 0.000 1.004 64 H CA 0.209 56.003 56.048 -0.422 0.000 1.167 64 H CB 0.239 29.874 29.762 -0.211 0.000 1.445 64 H HN 0.328 nan 8.280 nan 0.000 0.554 65 H N -1.104 117.799 119.070 -0.278 0.000 3.179 65 H HA -0.180 4.376 4.556 -0.000 0.000 0.250 65 H C 1.532 176.809 175.328 -0.084 0.000 1.142 65 H CA 1.219 57.074 56.048 -0.323 0.000 1.165 65 H CB -1.672 27.602 29.762 -0.812 0.000 1.253 65 H HN 0.431 nan 8.280 nan 0.000 0.325 66 T N -2.633 111.958 114.554 0.061 0.000 3.086 66 T HA 0.007 4.357 4.350 -0.000 0.000 0.250 66 T C 1.409 176.186 174.700 0.128 0.000 1.074 66 T CA 0.549 62.777 62.100 0.213 0.000 0.988 66 T CB 0.042 68.970 68.868 0.101 0.000 0.988 66 T HN 0.568 nan 8.240 nan 0.000 0.530 67 D N 1.393 121.786 120.400 -0.011 0.000 2.354 67 D HA -0.131 4.509 4.640 -0.000 0.000 0.216 67 D C 1.848 178.102 176.300 -0.077 0.000 0.970 67 D CA 0.842 54.817 54.000 -0.043 0.000 0.905 67 D CB -0.147 40.617 40.800 -0.059 0.000 0.903 67 D HN 0.365 nan 8.370 nan 0.000 0.508 68 K N -1.114 119.162 120.400 -0.207 0.000 2.211 68 K HA 0.026 4.346 4.320 -0.000 0.000 0.201 68 K C -0.157 176.275 176.600 -0.279 0.000 1.052 68 K CA -0.089 55.942 56.287 -0.427 0.000 0.973 68 K CB 0.044 31.920 32.500 -1.041 0.000 0.766 68 K HN 0.126 nan 8.250 nan 0.000 0.466 69 Y N 1.914 122.151 120.300 -0.105 0.000 2.811 69 Y HA -0.084 4.466 4.550 -0.000 0.000 0.334 69 Y C 0.583 176.520 175.900 0.062 0.000 1.247 69 Y CA 0.208 58.377 58.100 0.115 0.000 1.526 69 Y CB 0.300 38.808 38.460 0.079 0.000 1.284 69 Y HN -0.068 nan 8.280 nan 0.000 0.586 70 E N 3.818 124.166 120.200 0.246 0.000 2.148 70 E HA 0.046 4.396 4.350 -0.000 0.000 0.308 70 E C -0.804 175.851 176.600 0.092 0.000 1.278 70 E CA 0.068 56.546 56.400 0.130 0.000 1.368 70 E CB -0.569 29.194 29.700 0.104 0.000 1.229 70 E HN 0.559 nan 8.360 nan 0.000 0.494 71 N N 1.661 120.406 118.700 0.075 0.000 2.308 71 N HA 0.182 4.922 4.740 -0.000 0.000 0.283 71 N C -0.052 175.459 175.510 0.001 0.000 1.105 71 N CA -0.350 52.713 53.050 0.022 0.000 0.840 71 N CB 1.104 39.564 38.487 -0.045 0.000 1.633 71 N HN 0.144 nan 8.380 nan 0.000 0.476 72 N N 0.528 119.233 118.700 0.008 0.000 2.395 72 N HA -0.004 4.736 4.740 -0.000 0.000 0.175 72 N C -0.263 175.250 175.510 0.004 0.000 1.029 72 N CA 0.322 53.372 53.050 -0.000 0.000 0.897 72 N CB 0.313 38.803 38.487 0.006 0.000 0.991 72 N HN 0.344 nan 8.380 nan 0.000 0.441 73 K N 1.309 121.740 120.400 0.052 0.000 2.120 73 K HA 0.147 4.467 4.320 -0.000 0.000 0.245 73 K C -0.172 176.450 176.600 0.036 0.000 1.024 73 K CA -0.661 55.670 56.287 0.073 0.000 0.906 73 K CB 0.626 33.234 32.500 0.179 0.000 1.051 73 K HN -0.033 nan 8.250 nan 0.000 0.491 74 L N 1.730 122.960 121.223 0.012 0.000 2.410 74 L HA 0.231 4.571 4.340 -0.000 0.000 0.273 74 L C -0.492 176.347 176.870 -0.052 0.000 1.144 74 L CA 0.504 55.311 54.840 -0.056 0.000 0.863 74 L CB -0.032 41.977 42.059 -0.083 0.000 1.140 74 L HN 0.414 nan 8.230 nan 0.000 0.463 75 I N 5.500 125.982 120.570 -0.147 0.000 2.474 75 I HA 0.595 4.765 4.170 -0.000 0.000 0.294 75 I C -0.618 175.334 176.117 -0.275 0.000 1.005 75 I CA -0.725 60.452 61.300 -0.204 0.000 1.113 75 I CB 1.931 39.714 38.000 -0.362 0.000 1.289 75 I HN 0.364 nan 8.210 nan 0.000 0.436 76 V N 5.648 125.379 119.914 -0.305 0.000 3.147 76 V HA 0.489 4.609 4.120 -0.000 0.000 0.306 76 V C -0.779 175.229 176.094 -0.144 0.000 1.209 76 V CA -0.735 61.330 62.300 -0.391 0.000 1.023 76 V CB 3.162 34.432 31.823 -0.921 0.000 1.059 76 V HN 0.656 nan 8.190 nan 0.000 0.435 77 R N 2.117 122.691 120.500 0.124 0.000 2.532 77 R HA 0.584 4.924 4.340 -0.000 0.000 0.295 77 R C -0.126 176.204 176.300 0.051 0.000 0.968 77 R CA -0.860 55.312 56.100 0.118 0.000 0.916 77 R CB 1.654 32.090 30.300 0.226 0.000 1.124 77 R HN 0.747 nan 8.270 nan 0.000 0.463 78 R N 0.442 120.926 120.500 -0.026 0.000 2.924 78 R HA 0.065 4.405 4.340 -0.000 0.000 0.272 78 R C 0.785 177.042 176.300 -0.070 0.000 1.012 78 R CA 0.362 56.402 56.100 -0.100 0.000 1.171 78 R CB -0.220 30.012 30.300 -0.114 0.000 1.086 78 R HN 0.848 nan 8.270 nan 0.000 0.489 79 G N -0.689 108.014 108.800 -0.162 0.000 2.200 79 G HA2 -0.393 3.567 3.960 -0.000 0.000 0.268 79 G HA3 -0.393 3.567 3.960 -0.000 0.000 0.268 79 G C 0.041 174.873 174.900 -0.112 0.000 0.986 79 G CA 1.097 46.109 45.100 -0.146 0.000 0.677 79 G HN 0.730 nan 8.290 nan 0.000 0.532 80 Q N 0.211 119.973 119.800 -0.063 0.000 2.375 80 Q HA 0.589 4.929 4.340 -0.000 0.000 0.271 80 Q C 0.371 176.432 176.000 0.101 0.000 1.074 80 Q CA -0.148 55.632 55.803 -0.039 0.000 0.808 80 Q CB 1.549 30.189 28.738 -0.164 0.000 1.327 80 Q HN 0.564 nan 8.270 nan 0.000 0.441 81 S N 2.658 118.368 115.700 0.017 0.000 2.565 81 S HA 0.541 5.011 4.470 -0.000 0.000 0.276 81 S C -0.362 174.327 174.600 0.147 0.000 1.326 81 S CA -0.504 57.687 58.200 -0.014 0.000 1.045 81 S CB 0.157 63.248 63.200 -0.180 0.000 0.918 81 S HN 0.445 nan 8.310 nan 0.000 0.505 82 F N -0.514 119.333 119.950 -0.171 0.000 2.640 82 F HA 0.802 5.329 4.527 -0.000 0.000 0.324 82 F C -1.477 174.137 175.800 -0.310 0.000 1.077 82 F CA -2.034 55.840 58.000 -0.210 0.000 0.965 82 F CB 0.502 39.326 39.000 -0.293 0.000 1.351 82 F HN 0.447 nan 8.300 nan 0.000 0.487 83 Y N 1.021 121.455 120.300 0.223 0.000 2.360 83 Y HA 0.683 5.233 4.550 0.000 0.000 0.337 83 Y C -0.093 175.918 175.900 0.184 0.000 1.039 83 Y CA -1.176 57.061 58.100 0.227 0.000 1.109 83 Y CB 1.987 40.707 38.460 0.434 0.000 1.201 83 Y HN 0.694 nan 8.280 nan 0.000 0.458 84 V N 0.515 120.590 119.914 0.267 0.000 3.087 84 V HA 0.622 4.742 4.120 -0.000 0.000 0.306 84 V C -1.347 174.742 176.094 -0.009 0.000 1.187 84 V CA -1.036 61.236 62.300 -0.047 0.000 0.999 84 V CB 2.007 33.811 31.823 -0.033 0.000 1.049 84 V HN 0.748 nan 8.190 nan 0.000 0.431 85 Q N 2.015 121.705 119.800 -0.183 0.000 2.321 85 Q HA 0.706 5.046 4.340 -0.000 0.000 0.270 85 Q C -1.775 174.127 176.000 -0.164 0.000 1.032 85 Q CA -0.775 55.002 55.803 -0.043 0.000 0.784 85 Q CB 2.304 31.116 28.738 0.124 0.000 1.264 85 Q HN 0.890 nan 8.270 nan 0.000 0.448 86 I N 3.295 123.709 120.570 -0.261 0.000 2.339 86 I HA 0.269 4.439 4.170 -0.000 0.000 0.290 86 I C -0.783 174.928 176.117 -0.678 0.000 0.994 86 I CA -0.791 60.212 61.300 -0.495 0.000 1.191 86 I CB 1.546 39.173 38.000 -0.622 0.000 1.343 86 I HN 0.461 nan 8.210 nan 0.000 0.458 87 D N 6.858 126.970 120.400 -0.480 0.000 2.313 87 D HA 0.352 4.992 4.640 -0.000 0.000 0.239 87 D C -0.326 175.813 176.300 -0.268 0.000 1.142 87 D CA 0.070 53.886 54.000 -0.306 0.000 0.847 87 D CB 0.918 41.670 40.800 -0.080 0.000 1.082 87 D HN 0.051 nan 8.370 nan 0.000 0.480 88 F N 0.328 120.254 119.950 -0.039 0.000 2.375 88 F HA 0.161 4.687 4.527 -0.000 0.000 0.317 88 F C 2.041 177.835 175.800 -0.009 0.000 1.124 88 F CA -1.178 56.797 58.000 -0.041 0.000 1.050 88 F CB 0.649 39.619 39.000 -0.050 0.000 1.314 88 F HN 0.187 nan 8.300 nan 0.000 0.511 89 S N -0.152 115.684 115.700 0.227 0.000 2.593 89 S HA 0.234 4.704 4.470 -0.000 0.000 0.217 89 S C 0.060 174.712 174.600 0.087 0.000 0.966 89 S CA -0.253 58.015 58.200 0.114 0.000 0.914 89 S CB -0.480 62.765 63.200 0.076 0.000 0.776 89 S HN 0.721 nan 8.310 nan 0.000 0.523 90 R N -0.832 119.735 120.500 0.111 0.000 2.728 90 R HA 0.376 4.716 4.340 -0.000 0.000 0.259 90 R C -3.595 172.768 176.300 0.106 0.000 1.057 90 R CA -1.656 54.487 56.100 0.072 0.000 0.908 90 R CB -0.445 29.865 30.300 0.016 0.000 1.259 90 R HN -0.098 nan 8.270 nan 0.000 0.472 91 P HA -0.149 nan 4.420 nan 0.000 0.261 91 P C -0.954 176.419 177.300 0.121 0.000 1.173 91 P CA 0.243 63.424 63.100 0.136 0.000 0.760 91 P CB 0.193 31.943 31.700 0.083 0.000 0.783 92 Y N 3.120 123.469 120.300 0.082 0.000 2.544 92 Y HA 0.129 4.679 4.550 -0.000 0.000 0.330 92 Y C 0.012 175.929 175.900 0.027 0.000 1.136 92 Y CA -0.232 57.872 58.100 0.006 0.000 1.417 92 Y CB 0.100 38.649 38.460 0.149 0.000 1.229 92 Y HN 0.290 nan 8.280 nan 0.000 0.532 93 D N 8.980 129.074 120.400 -0.511 0.000 2.414 93 D HA 0.319 4.959 4.640 -0.000 0.000 0.232 93 D C -2.040 173.826 176.300 -0.722 0.000 1.070 93 D CA -2.526 51.198 54.000 -0.460 0.000 0.839 93 D CB 1.584 42.250 40.800 -0.224 0.000 1.079 93 D HN 0.360 nan 8.370 nan 0.000 0.521 94 P HA -0.102 nan 4.420 nan 0.000 0.228 94 P C 0.923 178.108 177.300 -0.192 0.000 1.151 94 P CA 0.482 63.309 63.100 -0.454 0.000 0.770 94 P CB 0.516 32.125 31.700 -0.152 0.000 0.786 95 R N -0.348 120.051 120.500 -0.169 0.000 2.161 95 R HA 0.118 4.458 4.340 -0.000 0.000 0.213 95 R C 2.413 178.670 176.300 -0.072 0.000 1.055 95 R CA 1.103 57.150 56.100 -0.089 0.000 0.996 95 R CB -0.176 30.081 30.300 -0.071 0.000 0.901 95 R HN 0.179 nan 8.270 nan 0.000 0.456 96 R N -0.949 119.492 120.500 -0.098 0.000 2.350 96 R HA 0.176 4.516 4.340 -0.000 0.000 0.199 96 R C -0.178 176.117 176.300 -0.009 0.000 0.876 96 R CA -0.144 55.927 56.100 -0.049 0.000 1.062 96 R CB 0.503 30.770 30.300 -0.054 0.000 1.263 96 R HN 0.111 nan 8.270 nan 0.000 0.641 97 D N 0.861 121.231 120.400 -0.050 0.000 2.398 97 D HA 0.227 4.867 4.640 -0.000 0.000 0.247 97 D C -0.362 176.070 176.300 0.219 0.000 1.227 97 D CA 0.355 54.399 54.000 0.072 0.000 0.980 97 D CB 1.126 41.944 40.800 0.030 0.000 1.106 97 D HN -0.128 nan 8.370 nan 0.000 0.493 98 L N 1.276 122.702 121.223 0.339 0.000 2.666 98 L HA 0.323 4.663 4.340 -0.000 0.000 0.259 98 L C -1.698 175.479 176.870 0.512 0.000 0.919 98 L CA -0.504 54.557 54.840 0.368 0.000 0.927 98 L CB 1.396 43.569 42.059 0.190 0.000 1.423 98 L HN 0.533 nan 8.230 nan 0.000 0.426 99 F N 2.882 122.923 119.950 0.152 0.000 2.877 99 F HA 0.862 5.389 4.527 -0.000 0.000 0.319 99 F C -1.339 174.528 175.800 0.112 0.000 1.174 99 F CA -1.090 57.037 58.000 0.210 0.000 0.903 99 F CB 1.378 40.491 39.000 0.188 0.000 1.357 99 F HN 0.556 nan 8.300 nan 0.000 0.472 100 R N 0.488 121.004 120.500 0.027 0.000 2.664 100 R HA 0.729 5.069 4.340 -0.000 0.000 0.266 100 R C -2.456 173.863 176.300 0.033 0.000 1.046 100 R CA -1.077 54.918 56.100 -0.176 0.000 0.885 100 R CB 1.607 31.838 30.300 -0.115 0.000 1.254 100 R HN 0.607 nan 8.270 nan 0.000 0.465 101 V N 1.391 121.262 119.914 -0.072 0.000 2.567 101 V HA 0.325 4.445 4.120 -0.000 0.000 0.289 101 V C 0.056 176.026 176.094 -0.207 0.000 1.049 101 V CA -0.317 61.920 62.300 -0.104 0.000 0.969 101 V CB 1.471 33.202 31.823 -0.152 0.000 0.995 101 V HN 0.707 nan 8.190 nan 0.000 0.471 102 E N 2.503 122.549 120.200 -0.257 0.000 2.256 102 E HA 0.588 4.938 4.350 -0.000 0.000 0.267 102 E C -1.927 174.431 176.600 -0.403 0.000 0.892 102 E CA -0.635 55.626 56.400 -0.231 0.000 0.775 102 E CB 2.483 32.238 29.700 0.092 0.000 1.207 102 E HN 0.591 nan 8.360 nan 0.000 0.420 103 Y N 0.436 120.659 120.300 -0.129 0.000 2.373 103 Y HA 0.422 4.972 4.550 -0.000 0.000 0.336 103 Y C -0.562 175.423 175.900 0.140 0.000 0.979 103 Y CA -0.899 57.199 58.100 -0.004 0.000 1.080 103 Y CB 2.031 40.378 38.460 -0.189 0.000 1.190 103 Y HN 0.319 nan 8.280 nan 0.000 0.446 104 V N 2.503 122.654 119.914 0.395 0.000 2.925 104 V HA 0.869 4.989 4.120 -0.000 0.000 0.311 104 V C -1.459 174.673 176.094 0.062 0.000 1.104 104 V CA -1.005 61.459 62.300 0.273 0.000 0.954 104 V CB 2.071 34.095 31.823 0.334 0.000 1.022 104 V HN 0.531 nan 8.190 nan 0.000 0.427 105 I N 3.567 124.065 120.570 -0.119 0.000 2.545 105 I HA 1.012 5.182 4.170 -0.000 0.000 0.292 105 I C 0.625 176.656 176.117 -0.142 0.000 1.040 105 I CA 0.295 61.421 61.300 -0.289 0.000 1.068 105 I CB 1.394 39.008 38.000 -0.643 0.000 1.251 105 I HN 1.526 nan 8.210 nan 0.000 0.424 106 G N 3.715 112.441 108.800 -0.124 0.000 2.795 106 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.664 106 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.664 106 G C 0.324 175.145 174.900 -0.131 0.000 1.381 106 G CA 0.019 45.063 45.100 -0.094 0.000 0.853 106 G HN 0.835 nan 8.290 nan 0.000 0.545 107 R N -0.923 119.443 120.500 -0.223 0.000 2.115 107 R HA 0.009 4.349 4.340 -0.000 0.000 0.230 107 R C 0.583 176.456 176.300 -0.712 0.000 1.111 107 R CA 1.645 57.431 56.100 -0.523 0.000 0.976 107 R CB -0.137 29.710 30.300 -0.754 0.000 0.870 107 R HN 0.553 nan 8.270 nan 0.000 0.445 108 Y N 0.154 120.445 120.300 -0.015 0.000 2.635 108 Y HA 0.374 4.925 4.550 0.000 0.000 0.373 108 Y C -2.232 173.665 175.900 -0.006 0.000 1.000 108 Y CA -3.120 54.971 58.100 -0.015 0.000 1.219 108 Y CB 0.342 38.793 38.460 -0.015 0.000 1.294 108 Y HN -0.004 nan 8.280 nan 0.000 0.612 109 P HA -0.058 nan 4.420 nan 0.000 0.269 109 P C -0.396 176.967 177.300 0.105 0.000 1.200 109 P CA 0.441 63.599 63.100 0.096 0.000 0.779 109 P CB 0.533 32.291 31.700 0.096 0.000 0.841 110 Q N 0.354 120.242 119.800 0.147 0.000 2.536 110 Q HA 0.009 4.349 4.340 -0.000 0.000 0.231 110 Q C 0.467 176.573 176.000 0.177 0.000 0.811 110 Q CA -0.231 55.649 55.803 0.129 0.000 0.966 110 Q CB 0.703 29.494 28.738 0.089 0.000 1.512 110 Q HN 0.475 nan 8.270 nan 0.000 0.456 111 E N 2.766 123.121 120.200 0.257 0.000 2.147 111 E HA -0.322 4.028 4.350 -0.000 0.000 0.199 111 E C 0.987 177.667 176.600 0.134 0.000 1.005 111 E CA 1.790 58.332 56.400 0.236 0.000 0.810 111 E CB 0.113 29.991 29.700 0.296 0.000 0.736 111 E HN 0.682 nan 8.360 nan 0.000 0.460 112 N N -0.419 118.348 118.700 0.113 0.000 2.635 112 N HA -0.115 4.625 4.740 -0.000 0.000 0.191 112 N C 0.122 175.677 175.510 0.076 0.000 1.155 112 N CA 0.566 53.665 53.050 0.081 0.000 0.927 112 N CB 0.141 38.667 38.487 0.064 0.000 0.976 112 N HN 0.070 nan 8.380 nan 0.000 0.448 113 K N -1.010 119.443 120.400 0.088 0.000 2.761 113 K HA 0.123 4.443 4.320 -0.000 0.000 0.196 113 K C 0.395 177.053 176.600 0.096 0.000 1.134 113 K CA 0.152 56.488 56.287 0.081 0.000 1.082 113 K CB 1.049 33.591 32.500 0.069 0.000 0.768 113 K HN 0.095 nan 8.250 nan 0.000 0.475 114 G N 2.361 111.226 108.800 0.110 0.000 2.212 114 G HA2 -0.363 3.597 3.960 -0.000 0.000 0.267 114 G HA3 -0.363 3.597 3.960 -0.000 0.000 0.267 114 G C 0.850 175.839 174.900 0.148 0.000 1.002 114 G CA 1.604 46.784 45.100 0.133 0.000 0.729 114 G HN 0.446 nan 8.290 nan 0.000 0.517 115 T N -3.964 110.664 114.554 0.124 0.000 3.044 115 T HA 0.392 4.742 4.350 -0.000 0.000 0.250 115 T C 0.482 175.281 174.700 0.164 0.000 1.081 115 T CA 0.955 63.113 62.100 0.097 0.000 1.040 115 T CB 0.454 69.361 68.868 0.065 0.000 0.962 115 T HN 1.001 nan 8.240 nan 0.000 0.506 116 Y N 1.373 121.711 120.300 0.063 0.000 2.346 116 Y HA 0.652 5.202 4.550 -0.000 0.000 0.332 116 Y C -1.818 174.096 175.900 0.025 0.000 0.985 116 Y CA -2.574 55.561 58.100 0.058 0.000 1.112 116 Y CB 1.110 39.592 38.460 0.037 0.000 1.170 116 Y HN 0.095 nan 8.280 nan 0.000 0.447 117 I N 9.365 129.592 120.570 -0.572 0.000 2.439 117 I HA 0.363 4.533 4.170 -0.000 0.000 0.285 117 I C -2.196 173.463 176.117 -0.763 0.000 1.021 117 I CA -2.145 58.761 61.300 -0.657 0.000 1.091 117 I CB 2.133 39.700 38.000 -0.722 0.000 1.242 117 I HN 0.451 nan 8.210 nan 0.000 0.439 118 P HA -0.084 nan 4.420 nan 0.000 0.215 118 P C 0.104 177.247 177.300 -0.262 0.000 1.157 118 P CA 0.911 63.780 63.100 -0.385 0.000 0.863 118 P CB 0.163 31.735 31.700 -0.213 0.000 0.787 119 V N -1.580 118.193 119.914 -0.235 0.000 5.881 119 V HA -0.138 3.982 4.120 -0.000 0.000 0.227 119 V C -2.183 173.849 176.094 -0.104 0.000 0.683 119 V CA -0.545 61.713 62.300 -0.071 0.000 0.747 119 V CB -2.316 29.499 31.823 -0.013 0.000 0.784 119 V HN 0.242 nan 8.190 nan 0.000 0.430 120 P HA 0.470 nan 4.420 nan 0.000 0.282 120 P C 0.195 177.388 177.300 -0.178 0.000 1.249 120 P CA -0.595 62.397 63.100 -0.180 0.000 0.806 120 P CB 1.533 33.137 31.700 -0.160 0.000 0.984 121 I N 1.355 121.762 120.570 -0.272 0.000 2.556 121 I HA 0.318 4.488 4.170 -0.000 0.000 0.284 121 I C -0.391 175.656 176.117 -0.117 0.000 1.114 121 I CA -0.295 60.876 61.300 -0.215 0.000 1.418 121 I CB 0.574 38.395 38.000 -0.298 0.000 1.394 121 I HN 0.102 nan 8.210 nan 0.000 0.552 122 V N 5.605 125.478 119.914 -0.068 0.000 3.001 122 V HA 0.386 4.506 4.120 -0.000 0.000 0.314 122 V C 1.226 177.311 176.094 -0.015 0.000 1.099 122 V CA 0.242 62.518 62.300 -0.040 0.000 0.989 122 V CB 2.352 34.154 31.823 -0.035 0.000 1.040 122 V HN 1.039 nan 8.190 nan 0.000 0.434 123 S N 3.241 118.938 115.700 -0.006 0.000 2.348 123 S HA -0.034 4.436 4.470 -0.000 0.000 0.221 123 S C 0.547 175.149 174.600 0.004 0.000 1.033 123 S CA 1.197 59.401 58.200 0.007 0.000 1.010 123 S CB -0.135 63.069 63.200 0.006 0.000 0.891 123 S HN 0.788 nan 8.310 nan 0.000 0.442 124 E N -0.294 119.903 120.200 -0.005 0.000 2.292 124 E HA 0.589 4.939 4.350 -0.000 0.000 0.272 124 E C -1.301 175.288 176.600 -0.019 0.000 0.881 124 E CA -0.492 55.902 56.400 -0.009 0.000 0.754 124 E CB 1.359 31.056 29.700 -0.006 0.000 1.201 124 E HN 0.323 nan 8.360 nan 0.000 0.425 125 L N 2.815 124.021 121.223 -0.027 0.000 2.453 125 L HA 0.274 4.614 4.340 -0.000 0.000 0.272 125 L C 0.504 177.352 176.870 -0.037 0.000 1.182 125 L CA -0.080 54.736 54.840 -0.040 0.000 0.858 125 L CB 0.526 42.550 42.059 -0.060 0.000 1.120 125 L HN 0.535 nan 8.230 nan 0.000 0.474 126 Q N 1.632 121.410 119.800 -0.037 0.000 2.252 126 Q HA 0.327 4.667 4.340 -0.000 0.000 0.256 126 Q C -0.376 175.596 176.000 -0.046 0.000 1.020 126 Q CA -0.687 55.095 55.803 -0.033 0.000 0.913 126 Q CB 1.692 30.418 28.738 -0.021 0.000 1.286 126 Q HN 0.645 nan 8.270 nan 0.000 0.480 127 S N 0.580 116.256 115.700 -0.040 0.000 2.555 127 S HA 0.292 4.762 4.470 -0.000 0.000 0.293 127 S C 0.802 175.370 174.600 -0.053 0.000 1.248 127 S CA 0.010 58.182 58.200 -0.046 0.000 1.096 127 S CB -0.535 62.644 63.200 -0.034 0.000 0.881 127 S HN 1.351 nan 8.310 nan 0.000 0.498 128 G N 3.133 111.886 108.800 -0.078 0.000 2.424 128 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.294 128 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.294 128 G C -0.212 174.638 174.900 -0.083 0.000 0.939 128 G CA 0.506 45.548 45.100 -0.096 0.000 1.143 128 G HN 0.854 nan 8.290 nan 0.000 0.507 129 K N -1.371 118.977 120.400 -0.086 0.000 2.422 129 K HA 0.404 4.724 4.320 -0.000 0.000 0.251 129 K C -0.457 176.128 176.600 -0.024 0.000 0.933 129 K CA -1.052 55.224 56.287 -0.018 0.000 0.798 129 K CB 1.696 34.203 32.500 0.012 0.000 1.238 129 K HN 0.163 nan 8.250 nan 0.000 0.428 130 W N 0.828 122.105 121.300 -0.038 0.000 2.170 130 W HA 0.400 5.060 4.660 -0.000 0.000 0.336 130 W C 0.823 177.305 176.519 -0.062 0.000 1.283 130 W CA 1.038 58.354 57.345 -0.048 0.000 1.224 130 W CB 1.280 30.715 29.460 -0.041 0.000 1.132 130 W HN 0.750 nan 8.180 nan 0.000 0.571 131 G N 0.132 109.057 108.800 0.209 0.000 2.387 131 G HA2 0.611 4.571 3.960 -0.000 0.000 0.294 131 G HA3 0.611 4.571 3.960 -0.000 0.000 0.294 131 G C -2.274 172.639 174.900 0.021 0.000 1.509 131 G CA -0.422 44.721 45.100 0.072 0.000 0.806 131 G HN 0.819 nan 8.290 nan 0.000 0.546 132 A N 0.457 123.257 122.820 -0.033 0.000 2.402 132 A HA 0.783 5.103 4.320 -0.000 0.000 0.291 132 A C -0.512 177.036 177.584 -0.060 0.000 1.051 132 A CA -0.582 51.415 52.037 -0.067 0.000 0.716 132 A CB 1.727 20.679 19.000 -0.080 0.000 1.223 132 A HN 0.750 nan 8.150 nan 0.000 0.425 133 K N 3.235 123.609 120.400 -0.044 0.000 2.156 133 K HA 0.575 4.895 4.320 -0.000 0.000 0.271 133 K C -0.760 175.852 176.600 0.022 0.000 0.995 133 K CA -0.525 55.756 56.287 -0.010 0.000 0.890 133 K CB 0.613 33.112 32.500 -0.002 0.000 1.073 133 K HN 0.694 nan 8.250 nan 0.000 0.454 134 I N 4.605 125.201 120.570 0.044 0.000 2.517 134 I HA -0.070 4.100 4.170 -0.000 0.000 0.285 134 I C 0.957 177.129 176.117 0.092 0.000 1.106 134 I CA -0.047 61.301 61.300 0.080 0.000 1.402 134 I CB 1.292 39.363 38.000 0.118 0.000 1.399 134 I HN 0.500 nan 8.210 nan 0.000 0.535 135 V N 7.723 127.702 119.914 0.109 0.000 3.621 135 V HA 0.304 4.424 4.120 -0.000 0.000 0.263 135 V C 0.245 176.395 176.094 0.093 0.000 1.272 135 V CA 0.483 62.850 62.300 0.111 0.000 1.080 135 V CB 0.440 32.363 31.823 0.168 0.000 0.816 135 V HN 0.752 nan 8.190 nan 0.000 0.451 136 M N 0.534 120.191 119.600 0.096 0.000 2.490 136 M HA 0.464 4.944 4.480 -0.000 0.000 0.286 136 M C -2.136 174.222 176.300 0.097 0.000 1.185 136 M CA -0.499 54.849 55.300 0.080 0.000 0.912 136 M CB 2.080 34.710 32.600 0.050 0.000 1.744 136 M HN -0.082 nan 8.290 nan 0.000 0.494 137 R N 2.773 123.333 120.500 0.099 0.000 2.502 137 R HA 0.477 4.817 4.340 -0.000 0.000 0.298 137 R C -1.073 175.285 176.300 0.095 0.000 1.018 137 R CA -0.827 55.346 56.100 0.123 0.000 0.899 137 R CB 2.269 32.676 30.300 0.178 0.000 1.181 137 R HN 0.648 nan 8.270 nan 0.000 0.444 138 E N 1.304 121.555 120.200 0.087 0.000 2.568 138 E HA 0.138 4.488 4.350 -0.000 0.000 0.242 138 E C -0.812 175.837 176.600 0.082 0.000 0.945 138 E CA -0.666 55.775 56.400 0.069 0.000 0.918 138 E CB 0.702 30.433 29.700 0.051 0.000 1.386 138 E HN 0.532 nan 8.360 nan 0.000 0.426 139 D N 0.062 120.501 120.400 0.066 0.000 2.346 139 D HA 0.244 4.884 4.640 -0.000 0.000 0.260 139 D C -0.370 175.981 176.300 0.085 0.000 1.252 139 D CA -0.085 53.958 54.000 0.071 0.000 0.895 139 D CB 0.194 41.025 40.800 0.052 0.000 1.097 139 D HN 0.356 nan 8.370 nan 0.000 0.489 140 R N 0.535 121.109 120.500 0.123 0.000 3.878 140 R HA -0.154 4.186 4.340 -0.000 0.000 0.330 140 R C -0.855 175.506 176.300 0.102 0.000 1.186 140 R CA 0.777 56.972 56.100 0.159 0.000 0.885 140 R CB -2.216 28.159 30.300 0.124 0.000 1.377 140 R HN 0.504 nan 8.270 nan 0.000 0.523 141 S N -0.662 115.083 115.700 0.074 0.000 2.548 141 S HA 0.646 5.116 4.470 -0.000 0.000 0.276 141 S C -0.536 174.060 174.600 -0.006 0.000 1.129 141 S CA -0.544 57.636 58.200 -0.033 0.000 0.931 141 S CB 2.760 65.967 63.200 0.012 0.000 1.068 141 S HN 0.252 nan 8.310 nan 0.000 0.480 142 V N 0.791 120.635 119.914 -0.117 0.000 2.531 142 V HA 0.780 4.900 4.120 -0.000 0.000 0.301 142 V C -0.595 175.497 176.094 -0.004 0.000 1.034 142 V CA -1.099 61.181 62.300 -0.032 0.000 0.865 142 V CB 1.443 33.223 31.823 -0.071 0.000 0.995 142 V HN 0.792 nan 8.190 nan 0.000 0.424 143 R N 4.030 124.575 120.500 0.075 0.000 2.229 143 R HA 0.754 5.094 4.340 -0.000 0.000 0.332 143 R C -1.215 175.181 176.300 0.160 0.000 0.989 143 R CA -0.225 55.962 56.100 0.144 0.000 0.842 143 R CB 0.807 31.192 30.300 0.142 0.000 1.119 143 R HN 0.910 nan 8.270 nan 0.000 0.456 144 L N 2.100 123.422 121.223 0.165 0.000 2.334 144 L HA 0.527 4.867 4.340 -0.000 0.000 0.270 144 L C -0.142 176.805 176.870 0.129 0.000 1.018 144 L CA -0.845 54.064 54.840 0.114 0.000 0.811 144 L CB 2.137 44.221 42.059 0.042 0.000 1.271 144 L HN 0.635 nan 8.230 nan 0.000 0.443 145 S N 2.654 118.351 115.700 -0.005 0.000 2.667 145 S HA 0.575 5.045 4.470 -0.000 0.000 0.304 145 S C -0.622 173.811 174.600 -0.279 0.000 1.135 145 S CA -0.598 57.469 58.200 -0.221 0.000 1.125 145 S CB -0.036 63.084 63.200 -0.133 0.000 0.996 145 S HN 0.395 nan 8.310 nan 0.000 0.474 146 I N 4.071 124.351 120.570 -0.484 0.000 2.396 146 I HA 0.403 4.573 4.170 -0.000 0.000 0.292 146 I C 0.265 176.088 176.117 -0.491 0.000 0.999 146 I CA -0.565 60.442 61.300 -0.489 0.000 1.310 146 I CB 1.564 39.135 38.000 -0.716 0.000 1.404 146 I HN 0.562 nan 8.210 nan 0.000 0.496 147 Q N 5.016 124.655 119.800 -0.268 0.000 2.331 147 Q HA 0.406 4.746 4.340 -0.000 0.000 0.267 147 Q C -0.935 174.681 176.000 -0.640 0.000 1.006 147 Q CA -0.621 55.003 55.803 -0.298 0.000 0.818 147 Q CB 1.671 30.276 28.738 -0.221 0.000 1.276 147 Q HN 0.813 nan 8.270 nan 0.000 0.450 148 S N 1.953 117.185 115.700 -0.780 0.000 2.634 148 S HA 0.303 4.773 4.470 -0.000 0.000 0.261 148 S C -0.039 173.907 174.600 -1.090 0.000 1.271 148 S CA -0.737 56.538 58.200 -1.542 0.000 0.985 148 S CB 1.361 64.068 63.200 -0.821 0.000 0.968 148 S HN 0.668 nan 8.310 nan 0.000 0.568 149 S N 1.235 116.324 115.700 -1.017 0.000 2.565 149 S HA 0.396 4.866 4.470 -0.000 0.000 0.290 149 S C -1.933 172.518 174.600 -0.248 0.000 1.150 149 S CA -1.973 55.952 58.200 -0.459 0.000 1.058 149 S CB 0.951 64.014 63.200 -0.228 0.000 1.032 149 S HN 0.500 nan 8.310 nan 0.000 0.510 150 P HA 0.064 nan 4.420 nan 0.000 0.237 150 P C 0.148 177.447 177.300 -0.002 0.000 1.178 150 P CA 0.739 63.803 63.100 -0.060 0.000 0.766 150 P CB 0.042 31.716 31.700 -0.042 0.000 0.876 151 K N -1.119 119.283 120.400 0.002 0.000 2.373 151 K HA 0.113 4.433 4.320 -0.000 0.000 0.202 151 K C 0.627 177.263 176.600 0.060 0.000 1.025 151 K CA -0.342 55.975 56.287 0.050 0.000 1.115 151 K CB -0.001 32.535 32.500 0.060 0.000 0.858 151 K HN 0.099 nan 8.250 nan 0.000 0.525 152 C N 1.731 121.051 119.300 0.034 0.000 2.657 152 C HA 0.164 4.624 4.460 -0.000 0.000 0.420 152 C C 1.075 176.104 174.990 0.065 0.000 1.323 152 C CA -0.837 58.241 59.018 0.101 0.000 1.894 152 C CB -0.616 27.175 27.740 0.085 0.000 2.681 152 C HN 0.326 nan 8.230 nan 0.000 0.613 153 I N 4.265 124.942 120.570 0.179 0.000 3.161 153 I HA 0.117 4.287 4.170 -0.000 0.000 0.284 153 I C 0.245 176.421 176.117 0.099 0.000 1.252 153 I CA 0.355 61.733 61.300 0.130 0.000 1.374 153 I CB 0.347 38.452 38.000 0.175 0.000 1.359 153 I HN 0.382 nan 8.210 nan 0.000 0.606 154 V N 3.141 123.038 119.914 -0.028 0.000 2.448 154 V HA 0.870 4.990 4.120 -0.000 0.000 0.295 154 V C 0.298 176.424 176.094 0.055 0.000 1.025 154 V CA 0.010 62.267 62.300 -0.072 0.000 0.859 154 V CB 1.018 32.596 31.823 -0.407 0.000 0.988 154 V HN 1.065 nan 8.190 nan 0.000 0.431 155 G N 3.931 112.819 108.800 0.147 0.000 2.337 155 G HA2 0.241 4.201 3.960 -0.000 0.000 0.298 155 G HA3 0.241 4.201 3.960 -0.000 0.000 0.298 155 G C -1.431 173.528 174.900 0.099 0.000 1.335 155 G CA -0.933 44.211 45.100 0.074 0.000 0.875 155 G HN 0.687 nan 8.290 nan 0.000 0.579 156 K N 0.425 120.757 120.400 -0.113 0.000 2.310 156 K HA 0.561 4.881 4.320 -0.000 0.000 0.290 156 K C -0.788 175.734 176.600 -0.130 0.000 1.077 156 K CA -0.377 55.726 56.287 -0.306 0.000 0.922 156 K CB 0.037 32.185 32.500 -0.587 0.000 1.057 156 K HN 0.210 nan 8.250 nan 0.000 0.479 157 F N 2.545 122.383 119.950 -0.187 0.000 2.378 157 F HA 0.426 4.954 4.527 0.000 0.000 0.325 157 F C 0.775 176.546 175.800 -0.048 0.000 1.097 157 F CA -0.652 57.311 58.000 -0.062 0.000 1.079 157 F CB 1.167 40.169 39.000 0.003 0.000 1.240 157 F HN 0.344 nan 8.300 nan 0.000 0.519 158 R N 1.524 122.124 120.500 0.167 0.000 2.407 158 R HA 0.502 4.842 4.340 -0.000 0.000 0.303 158 R C -0.585 175.629 176.300 -0.144 0.000 0.981 158 R CA -0.622 55.443 56.100 -0.058 0.000 0.905 158 R CB 1.578 31.826 30.300 -0.087 0.000 1.099 158 R HN 0.643 nan 8.270 nan 0.000 0.459 159 M N 2.860 122.233 119.600 -0.377 0.000 2.423 159 M HA 0.429 4.909 4.480 -0.000 0.000 0.335 159 M C -1.578 174.251 176.300 -0.785 0.000 1.177 159 M CA -0.433 54.570 55.300 -0.495 0.000 1.038 159 M CB 1.022 33.443 32.600 -0.298 0.000 1.641 159 M HN 0.530 nan 8.290 nan 0.000 0.455 160 Y N 1.281 121.470 120.300 -0.184 0.000 2.552 160 Y HA 0.530 5.080 4.550 -0.000 0.000 0.337 160 Y C -0.940 174.912 175.900 -0.080 0.000 1.094 160 Y CA -1.054 56.992 58.100 -0.090 0.000 1.028 160 Y CB 1.859 40.298 38.460 -0.035 0.000 1.321 160 Y HN 0.354 nan 8.280 nan 0.000 0.456 161 V N 1.685 121.691 119.914 0.154 0.000 2.448 161 V HA 0.875 4.995 4.120 -0.000 0.000 0.295 161 V C -0.498 175.719 176.094 0.204 0.000 1.025 161 V CA -0.955 61.447 62.300 0.171 0.000 0.859 161 V CB 1.388 33.307 31.823 0.161 0.000 0.988 161 V HN 0.857 nan 8.190 nan 0.000 0.431 162 A N 4.588 127.561 122.820 0.255 0.000 2.285 162 A HA 0.788 5.108 4.320 -0.000 0.000 0.310 162 A C -0.579 177.202 177.584 0.328 0.000 1.266 162 A CA -0.516 51.644 52.037 0.204 0.000 0.832 162 A CB 1.114 20.212 19.000 0.164 0.000 1.163 162 A HN 0.680 nan 8.150 nan 0.000 0.499 163 V N 2.142 122.175 119.914 0.198 0.000 2.498 163 V HA 0.212 4.332 4.120 -0.000 0.000 0.279 163 V C -0.608 175.563 176.094 0.128 0.000 1.048 163 V CA -0.138 62.305 62.300 0.238 0.000 0.967 163 V CB 0.652 32.541 31.823 0.111 0.000 0.988 163 V HN 0.847 nan 8.190 nan 0.000 0.473 164 W N 3.441 124.750 121.300 0.014 0.000 2.314 164 W HA 0.552 5.211 4.660 -0.000 0.000 0.310 164 W C 0.694 177.098 176.519 -0.192 0.000 1.075 164 W CA -0.438 56.864 57.345 -0.073 0.000 1.253 164 W CB 1.419 30.862 29.460 -0.028 0.000 1.238 164 W HN 0.687 nan 8.180 nan 0.000 0.440 165 T N 1.056 115.445 114.554 -0.275 0.000 2.929 165 T HA 0.374 4.724 4.350 -0.000 0.000 0.284 165 T C -1.387 173.040 174.700 -0.456 0.000 1.014 165 T CA -2.186 59.529 62.100 -0.642 0.000 1.051 165 T CB 2.194 70.421 68.868 -1.069 0.000 1.028 165 T HN 0.241 nan 8.240 nan 0.000 0.485 166 P HA -0.040 nan 4.420 nan 0.000 0.228 166 P C 0.165 177.159 177.300 -0.511 0.000 1.151 166 P CA 0.830 63.622 63.100 -0.514 0.000 0.770 166 P CB -0.203 31.166 31.700 -0.553 0.000 0.786 167 Y N -0.673 119.570 120.300 -0.096 0.000 2.485 167 Y HA 0.528 5.078 4.550 -0.000 0.000 0.260 167 Y C 1.696 177.509 175.900 -0.145 0.000 1.173 167 Y CA 0.020 58.063 58.100 -0.095 0.000 1.252 167 Y CB -0.043 38.365 38.460 -0.087 0.000 1.123 167 Y HN 0.052 nan 8.280 nan 0.000 0.524 168 G N -0.098 108.602 108.800 -0.166 0.000 2.260 168 G HA2 0.241 4.201 3.960 -0.000 0.000 0.250 168 G HA3 0.241 4.201 3.960 -0.000 0.000 0.250 168 G C -1.472 173.168 174.900 -0.434 0.000 1.340 168 G CA -0.515 44.427 45.100 -0.263 0.000 1.056 168 G HN 0.480 nan 8.290 nan 0.000 0.471 169 V N -1.666 117.973 119.914 -0.459 0.000 3.001 169 V HA 0.934 5.054 4.120 -0.000 0.000 0.314 169 V C -0.347 175.562 176.094 -0.307 0.000 1.099 169 V CA -1.152 60.842 62.300 -0.510 0.000 0.989 169 V CB 1.635 33.033 31.823 -0.708 0.000 1.040 169 V HN 1.121 nan 8.190 nan 0.000 0.434 170 L N 3.371 124.449 121.223 -0.243 0.000 2.381 170 L HA 0.871 5.211 4.340 -0.000 0.000 0.274 170 L C -0.252 176.563 176.870 -0.091 0.000 0.988 170 L CA -0.765 53.994 54.840 -0.135 0.000 0.824 170 L CB 1.895 43.903 42.059 -0.085 0.000 1.263 170 L HN 1.031 nan 8.230 nan 0.000 0.410 171 R N 0.302 120.761 120.500 -0.070 0.000 2.774 171 R HA 0.706 5.046 4.340 -0.000 0.000 0.272 171 R C -0.589 175.722 176.300 0.017 0.000 1.000 171 R CA -0.700 55.389 56.100 -0.018 0.000 0.906 171 R CB 1.401 31.664 30.300 -0.061 0.000 1.227 171 R HN 0.512 nan 8.270 nan 0.000 0.468 172 T N 0.717 115.323 114.554 0.088 0.000 2.616 172 T HA 0.148 4.498 4.350 -0.000 0.000 0.327 172 T C 0.453 175.236 174.700 0.139 0.000 1.049 172 T CA -0.048 62.118 62.100 0.109 0.000 1.022 172 T CB 0.156 69.096 68.868 0.121 0.000 1.009 172 T HN 0.740 nan 8.240 nan 0.000 0.535 173 S N -0.922 114.855 115.700 0.128 0.000 2.689 173 S HA 0.617 5.087 4.470 -0.000 0.000 0.306 173 S C -0.325 174.379 174.600 0.174 0.000 1.104 173 S CA -1.289 56.991 58.200 0.134 0.000 0.973 173 S CB 1.211 64.446 63.200 0.058 0.000 1.121 173 S HN 0.597 nan 8.310 nan 0.000 0.523 174 R N 1.651 122.259 120.500 0.180 0.000 2.501 174 R HA 0.099 4.439 4.340 -0.000 0.000 0.319 174 R C -0.817 175.498 176.300 0.025 0.000 0.913 174 R CA 0.637 56.811 56.100 0.123 0.000 1.104 174 R CB -1.010 29.344 30.300 0.089 0.000 0.901 174 R HN 0.694 nan 8.270 nan 0.000 0.407 175 N N 5.445 124.121 118.700 -0.040 0.000 2.617 175 N HA 0.338 5.078 4.740 -0.000 0.000 0.263 175 N C -2.356 173.108 175.510 -0.077 0.000 1.074 175 N CA -2.216 50.801 53.050 -0.055 0.000 0.841 175 N CB 1.768 40.216 38.487 -0.066 0.000 1.221 175 N HN 0.267 nan 8.380 nan 0.000 0.529 176 P HA -0.078 nan 4.420 nan 0.000 0.221 176 P C 0.686 177.958 177.300 -0.048 0.000 1.145 176 P CA 0.917 63.986 63.100 -0.052 0.000 0.795 176 P CB 0.482 32.163 31.700 -0.031 0.000 0.775 177 E N -1.278 118.897 120.200 -0.043 0.000 2.418 177 E HA -0.057 4.293 4.350 -0.000 0.000 0.197 177 E C 1.508 178.082 176.600 -0.043 0.000 1.026 177 E CA 1.248 57.628 56.400 -0.034 0.000 0.862 177 E CB -0.728 28.956 29.700 -0.027 0.000 0.799 177 E HN 0.400 nan 8.360 nan 0.000 0.518 178 T N -1.687 112.828 114.554 -0.066 0.000 3.086 178 T HA 0.071 4.421 4.350 -0.000 0.000 0.250 178 T C 0.360 175.030 174.700 -0.050 0.000 1.074 178 T CA -0.500 61.559 62.100 -0.068 0.000 0.988 178 T CB 0.137 68.941 68.868 -0.105 0.000 0.988 178 T HN -0.247 nan 8.240 nan 0.000 0.530 179 D N 3.079 123.440 120.400 -0.065 0.000 2.458 179 D HA 0.236 4.876 4.640 -0.000 0.000 0.243 179 D C -0.104 176.163 176.300 -0.054 0.000 1.146 179 D CA 0.675 54.630 54.000 -0.075 0.000 0.877 179 D CB 0.965 41.686 40.800 -0.131 0.000 1.176 179 D HN 0.197 nan 8.370 nan 0.000 0.461 180 T N 2.345 116.883 114.554 -0.027 0.000 2.823 180 T HA 0.338 4.688 4.350 -0.000 0.000 0.279 180 T C -0.423 174.227 174.700 -0.084 0.000 0.998 180 T CA -0.484 61.589 62.100 -0.044 0.000 0.994 180 T CB 0.558 69.399 68.868 -0.047 0.000 0.960 180 T HN 0.103 nan 8.240 nan 0.000 0.448 181 Y N 1.848 122.059 120.300 -0.148 0.000 2.330 181 Y HA 0.551 5.101 4.550 -0.000 0.000 0.336 181 Y C 0.340 176.114 175.900 -0.210 0.000 1.036 181 Y CA -0.941 57.087 58.100 -0.120 0.000 1.125 181 Y CB 0.952 39.313 38.460 -0.165 0.000 1.194 181 Y HN 0.440 nan 8.280 nan 0.000 0.469 182 I N 5.735 126.313 120.570 0.013 0.000 2.382 182 I HA 0.301 4.471 4.170 -0.000 0.000 0.285 182 I C -0.634 175.443 176.117 -0.066 0.000 1.007 182 I CA -0.314 60.908 61.300 -0.131 0.000 1.142 182 I CB 0.730 38.571 38.000 -0.265 0.000 1.289 182 I HN 0.433 nan 8.210 nan 0.000 0.453 183 L N 4.717 125.904 121.223 -0.059 0.000 2.376 183 L HA 0.550 4.890 4.340 -0.000 0.000 0.267 183 L C -0.180 176.687 176.870 -0.006 0.000 1.035 183 L CA -0.817 54.016 54.840 -0.012 0.000 0.800 183 L CB 0.817 42.923 42.059 0.079 0.000 1.290 183 L HN 0.269 nan 8.230 nan 0.000 0.462 184 F N 0.197 120.208 119.950 0.102 0.000 2.440 184 F HA 0.098 4.625 4.527 -0.000 0.000 0.323 184 F C 0.677 176.578 175.800 0.169 0.000 1.192 184 F CA 0.193 58.261 58.000 0.113 0.000 1.252 184 F CB 0.248 39.308 39.000 0.100 0.000 1.214 184 F HN 0.356 nan 8.300 nan 0.000 0.578 185 N N 1.778 120.712 118.700 0.390 0.000 2.682 185 N HA 0.344 5.084 4.740 -0.000 0.000 0.252 185 N C -2.318 173.399 175.510 0.346 0.000 1.081 185 N CA -2.080 51.190 53.050 0.367 0.000 0.844 185 N CB 1.240 39.881 38.487 0.257 0.000 1.167 185 N HN 0.025 nan 8.380 nan 0.000 0.523 186 P HA -0.005 nan 4.420 nan 0.000 0.222 186 P C 0.765 178.102 177.300 0.062 0.000 1.147 186 P CA 0.913 64.035 63.100 0.038 0.000 0.790 186 P CB 0.160 31.663 31.700 -0.328 0.000 0.780 187 W N -2.069 119.325 121.300 0.157 0.000 3.256 187 W HA 0.184 4.844 4.660 -0.000 0.000 0.269 187 W C 0.224 176.789 176.519 0.077 0.000 1.310 187 W CA -0.241 57.189 57.345 0.143 0.000 1.673 187 W CB -0.212 29.303 29.460 0.092 0.000 1.115 187 W HN -0.091 nan 8.180 nan 0.000 0.686 188 C N 1.856 121.293 119.300 0.228 0.000 2.273 188 C HA 0.205 4.665 4.460 -0.000 0.000 0.328 188 C C 1.864 176.654 174.990 -0.333 0.000 1.275 188 C CA -0.315 58.690 59.018 -0.021 0.000 1.704 188 C CB 0.482 28.241 27.740 0.032 0.000 2.326 188 C HN 0.447 nan 8.230 nan 0.000 0.517 189 E N 1.998 121.855 120.200 -0.572 0.000 2.339 189 E HA -0.212 4.138 4.350 -0.000 0.000 0.201 189 E C 0.596 176.977 176.600 -0.365 0.000 1.015 189 E CA 1.708 57.632 56.400 -0.794 0.000 0.841 189 E CB 0.248 29.671 29.700 -0.462 0.000 0.754 189 E HN 0.787 nan 8.360 nan 0.000 0.508 190 D N 0.056 120.347 120.400 -0.181 0.000 2.433 190 D HA 0.009 4.649 4.640 -0.000 0.000 0.211 190 D C -0.232 176.071 176.300 0.004 0.000 1.114 190 D CA -0.031 53.928 54.000 -0.067 0.000 0.837 190 D CB 0.120 40.885 40.800 -0.059 0.000 0.984 190 D HN 0.086 nan 8.370 nan 0.000 0.505 191 D N 0.720 121.143 120.400 0.038 0.000 2.351 191 D HA 0.195 4.835 4.640 -0.000 0.000 0.251 191 D C 1.193 177.584 176.300 0.152 0.000 1.137 191 D CA -0.167 53.906 54.000 0.121 0.000 0.879 191 D CB 1.724 42.630 40.800 0.176 0.000 1.181 191 D HN -0.037 nan 8.370 nan 0.000 0.448 192 A N 3.424 126.322 122.820 0.131 0.000 2.076 192 A HA -0.132 4.188 4.320 -0.000 0.000 0.220 192 A C 1.846 179.469 177.584 0.065 0.000 1.160 192 A CA 0.832 52.918 52.037 0.082 0.000 0.653 192 A CB -0.029 19.008 19.000 0.062 0.000 0.801 192 A HN 0.449 nan 8.150 nan 0.000 0.455 193 V N -0.319 119.667 119.914 0.119 0.000 3.499 193 V HA 0.115 4.234 4.120 -0.000 0.000 0.308 193 V C 0.294 176.531 176.094 0.239 0.000 1.319 193 V CA -0.431 61.932 62.300 0.105 0.000 1.194 193 V CB -1.165 30.662 31.823 0.006 0.000 1.072 193 V HN 0.553 nan 8.190 nan 0.000 0.426 194 Y N 1.054 121.430 120.300 0.126 0.000 2.526 194 Y HA 0.333 4.883 4.550 -0.000 0.000 0.330 194 Y C -0.262 175.713 175.900 0.125 0.000 1.156 194 Y CA -0.278 57.879 58.100 0.095 0.000 1.419 194 Y CB 0.411 38.915 38.460 0.073 0.000 1.250 194 Y HN 0.127 nan 8.280 nan 0.000 0.540 195 L N 6.906 127.763 121.223 -0.609 0.000 2.305 195 L HA 0.186 4.526 4.340 -0.000 0.000 0.284 195 L C 1.012 177.244 176.870 -1.063 0.000 1.013 195 L CA -0.582 53.713 54.840 -0.909 0.000 0.819 195 L CB 1.373 42.969 42.059 -0.771 0.000 1.227 195 L HN 0.730 nan 8.230 nan 0.000 0.417 196 D N 2.102 121.945 120.400 -0.929 0.000 2.220 196 D HA -0.166 4.474 4.640 -0.000 0.000 0.198 196 D C 0.147 176.291 176.300 -0.260 0.000 1.001 196 D CA 1.457 55.144 54.000 -0.523 0.000 0.875 196 D CB 0.187 40.799 40.800 -0.314 0.000 0.921 196 D HN 0.756 nan 8.370 nan 0.000 0.454 197 N N -2.305 116.214 118.700 -0.301 0.000 2.591 197 N HA 0.122 4.862 4.740 -0.000 0.000 0.263 197 N C 0.145 175.520 175.510 -0.225 0.000 1.308 197 N CA -0.671 52.267 53.050 -0.186 0.000 0.837 197 N CB 1.356 39.763 38.487 -0.133 0.000 1.548 197 N HN -0.397 nan 8.380 nan 0.000 0.493 198 E N 0.616 120.741 120.200 -0.125 0.000 2.097 198 E HA -0.181 4.169 4.350 -0.000 0.000 0.196 198 E C 1.074 177.595 176.600 -0.132 0.000 1.000 198 E CA 1.621 57.965 56.400 -0.094 0.000 0.804 198 E CB 0.059 29.775 29.700 0.027 0.000 0.740 198 E HN 0.514 nan 8.360 nan 0.000 0.454 199 K N 0.491 120.812 120.400 -0.132 0.000 2.034 199 K HA -0.209 4.111 4.320 -0.000 0.000 0.214 199 K C 2.095 178.537 176.600 -0.263 0.000 1.051 199 K CA 1.865 58.059 56.287 -0.156 0.000 0.931 199 K CB -0.337 32.080 32.500 -0.138 0.000 0.715 199 K HN 0.373 nan 8.250 nan 0.000 0.446 200 E N 0.185 120.191 120.200 -0.323 0.000 2.017 200 E HA -0.161 4.189 4.350 -0.000 0.000 0.193 200 E C 2.245 178.581 176.600 -0.439 0.000 0.997 200 E CA 0.929 57.033 56.400 -0.493 0.000 0.804 200 E CB -0.181 29.336 29.700 -0.305 0.000 0.757 200 E HN 0.262 nan 8.360 nan 0.000 0.448 201 R N 0.971 121.230 120.500 -0.401 0.000 2.119 201 R HA -0.218 4.122 4.340 -0.000 0.000 0.246 201 R C 2.338 178.484 176.300 -0.258 0.000 1.146 201 R CA 1.673 57.484 56.100 -0.483 0.000 0.962 201 R CB -0.264 29.526 30.300 -0.849 0.000 0.863 201 R HN 0.239 nan 8.270 nan 0.000 0.442 202 E N 0.082 120.188 120.200 -0.156 0.000 2.031 202 E HA -0.239 4.111 4.350 -0.000 0.000 0.193 202 E C 1.948 178.524 176.600 -0.041 0.000 0.994 202 E CA 1.486 57.874 56.400 -0.019 0.000 0.800 202 E CB 0.071 29.761 29.700 -0.017 0.000 0.752 202 E HN 0.185 nan 8.360 nan 0.000 0.447 203 E N -0.128 119.964 120.200 -0.181 0.000 2.017 203 E HA -0.190 4.160 4.350 -0.000 0.000 0.193 203 E C 1.668 178.229 176.600 -0.066 0.000 0.997 203 E CA 1.539 57.819 56.400 -0.200 0.000 0.804 203 E CB -0.384 29.042 29.700 -0.457 0.000 0.757 203 E HN 0.323 nan 8.360 nan 0.000 0.448 204 Y N -0.606 119.702 120.300 0.013 0.000 2.509 204 Y HA 0.055 4.605 4.550 0.000 0.000 0.293 204 Y C 1.932 177.829 175.900 -0.005 0.000 1.133 204 Y CA 0.578 58.698 58.100 0.033 0.000 1.283 204 Y CB -0.091 38.411 38.460 0.070 0.000 1.001 204 Y HN -0.010 nan 8.280 nan 0.000 0.555 205 V N -2.276 117.699 119.914 0.102 0.000 2.950 205 V HA -0.011 4.109 4.120 -0.000 0.000 0.231 205 V C 1.678 177.904 176.094 0.219 0.000 1.205 205 V CA 0.177 62.547 62.300 0.117 0.000 1.239 205 V CB -0.475 31.396 31.823 0.080 0.000 1.050 205 V HN 0.016 nan 8.190 nan 0.000 0.498 206 L N 0.947 122.329 121.223 0.266 0.000 2.376 206 L HA 0.155 4.495 4.340 -0.000 0.000 0.219 206 L C 1.042 178.129 176.870 0.363 0.000 1.133 206 L CA 0.985 56.056 54.840 0.384 0.000 0.816 206 L CB -1.351 40.883 42.059 0.293 0.000 0.933 206 L HN 0.325 nan 8.230 nan 0.000 0.449 207 N N 1.112 119.954 118.700 0.236 0.000 2.488 207 N HA -0.016 4.724 4.740 -0.000 0.000 0.274 207 N C 0.223 175.899 175.510 0.276 0.000 1.111 207 N CA 0.042 53.232 53.050 0.233 0.000 0.974 207 N CB 0.899 39.490 38.487 0.175 0.000 1.089 207 N HN 0.173 nan 8.380 nan 0.000 0.465 208 D N 3.106 123.665 120.400 0.266 0.000 2.424 208 D HA 0.162 4.802 4.640 -0.000 0.000 0.220 208 D C 0.137 176.538 176.300 0.169 0.000 1.150 208 D CA 0.096 54.233 54.000 0.228 0.000 0.831 208 D CB 0.212 41.112 40.800 0.165 0.000 0.981 208 D HN 0.372 nan 8.370 nan 0.000 0.500 209 I N -0.186 120.471 120.570 0.145 0.000 2.722 209 I HA 0.596 4.766 4.170 -0.000 0.000 0.295 209 I C -0.103 175.981 176.117 -0.055 0.000 1.161 209 I CA -1.012 60.242 61.300 -0.077 0.000 1.032 209 I CB 2.593 40.580 38.000 -0.022 0.000 1.244 209 I HN -0.024 nan 8.210 nan 0.000 0.421 210 G N 3.188 111.824 108.800 -0.274 0.000 2.694 210 G HA2 0.717 4.677 3.960 -0.000 0.000 0.290 210 G HA3 0.717 4.677 3.960 -0.000 0.000 0.290 210 G C -1.312 173.541 174.900 -0.078 0.000 1.386 210 G CA -0.633 44.442 45.100 -0.041 0.000 0.872 210 G HN 0.508 nan 8.290 nan 0.000 0.475 211 V N -1.454 118.419 119.914 -0.068 0.000 2.581 211 V HA 0.775 4.895 4.120 -0.000 0.000 0.303 211 V C -0.220 175.690 176.094 -0.307 0.000 1.041 211 V CA -1.041 61.115 62.300 -0.241 0.000 0.907 211 V CB 1.510 33.099 31.823 -0.389 0.000 0.994 211 V HN 0.626 nan 8.190 nan 0.000 0.442 212 I N 3.784 124.135 120.570 -0.365 0.000 2.406 212 I HA 0.463 4.633 4.170 -0.000 0.000 0.290 212 I C -1.009 174.881 176.117 -0.378 0.000 0.999 212 I CA -0.249 60.880 61.300 -0.285 0.000 1.124 212 I CB 1.735 39.604 38.000 -0.219 0.000 1.289 212 I HN 0.547 nan 8.210 nan 0.000 0.441 213 F N 7.020 126.916 119.950 -0.090 0.000 2.411 213 F HA 0.344 4.871 4.527 -0.000 0.000 0.355 213 F C 0.269 175.934 175.800 -0.225 0.000 1.117 213 F CA -0.292 57.643 58.000 -0.107 0.000 1.139 213 F CB 0.430 39.386 39.000 -0.074 0.000 1.120 213 F HN 0.386 nan 8.300 nan 0.000 0.493 214 Y N 0.859 120.921 120.300 -0.398 0.000 3.338 214 Y HA 0.917 5.467 4.550 0.000 0.000 0.293 214 Y C 0.912 176.508 175.900 -0.506 0.000 1.809 214 Y CA -1.251 56.235 58.100 -1.023 0.000 0.882 214 Y CB -0.309 37.407 38.460 -1.239 0.000 1.367 214 Y HN 0.789 nan 8.280 nan 0.000 0.672 215 G N 0.932 109.426 108.800 -0.509 0.000 2.531 215 G HA2 0.019 3.979 3.960 -0.000 0.000 0.274 215 G HA3 0.019 3.979 3.960 -0.000 0.000 0.274 215 G C -0.869 174.071 174.900 0.067 0.000 1.159 215 G CA 0.610 45.581 45.100 -0.215 0.000 0.969 215 G HN 1.335 nan 8.290 nan 0.000 0.554 216 E N -1.700 118.489 120.200 -0.018 0.000 2.390 216 E HA 0.645 4.995 4.350 -0.000 0.000 0.277 216 E C 0.886 177.228 176.600 -0.431 0.000 0.939 216 E CA -0.226 56.130 56.400 -0.072 0.000 0.769 216 E CB 1.137 30.818 29.700 -0.033 0.000 1.251 216 E HN 1.215 nan 8.360 nan 0.000 0.450 217 V N 0.941 120.418 119.914 -0.728 0.000 2.311 217 V HA -0.398 3.722 4.120 -0.000 0.000 0.259 217 V C 0.908 176.744 176.094 -0.430 0.000 1.086 217 V CA 2.467 64.308 62.300 -0.764 0.000 1.078 217 V CB -1.254 30.267 31.823 -0.502 0.000 0.668 217 V HN 0.749 nan 8.190 nan 0.000 0.452 218 N N 0.084 118.626 118.700 -0.263 0.000 2.346 218 N HA 0.196 4.936 4.740 -0.000 0.000 0.225 218 N C -0.103 175.306 175.510 -0.167 0.000 1.144 218 N CA 0.335 53.276 53.050 -0.181 0.000 0.837 218 N CB 0.285 38.702 38.487 -0.116 0.000 1.069 218 N HN 0.485 nan 8.380 nan 0.000 0.487 219 D N 0.419 120.693 120.400 -0.210 0.000 3.821 219 D HA 0.061 4.701 4.640 -0.000 0.000 0.236 219 D C -0.848 175.318 176.300 -0.223 0.000 1.513 219 D CA -0.265 53.628 54.000 -0.179 0.000 0.984 219 D CB -0.331 40.385 40.800 -0.140 0.000 1.384 219 D HN 0.027 nan 8.370 nan 0.000 0.770 220 I N 1.923 122.344 120.570 -0.247 0.000 2.662 220 I HA -0.001 4.169 4.170 -0.000 0.000 0.285 220 I C 0.883 176.881 176.117 -0.198 0.000 1.161 220 I CA 0.655 61.823 61.300 -0.221 0.000 1.415 220 I CB 0.349 38.237 38.000 -0.187 0.000 1.385 220 I HN -0.114 nan 8.210 nan 0.000 0.552 221 K N 4.913 125.096 120.400 -0.362 0.000 2.208 221 K HA 0.647 4.967 4.320 -0.000 0.000 0.247 221 K C -0.264 176.027 176.600 -0.515 0.000 0.953 221 K CA -0.748 55.206 56.287 -0.555 0.000 0.837 221 K CB 2.173 34.082 32.500 -0.985 0.000 1.131 221 K HN 0.647 nan 8.250 nan 0.000 0.431 222 T N -0.990 113.361 114.554 -0.338 0.000 2.906 222 T HA 0.591 4.941 4.350 -0.000 0.000 0.295 222 T C -0.729 173.884 174.700 -0.145 0.000 1.075 222 T CA -1.065 60.847 62.100 -0.315 0.000 1.005 222 T CB 2.282 70.869 68.868 -0.469 0.000 1.136 222 T HN 0.653 nan 8.240 nan 0.000 0.498 223 R N 1.125 121.494 120.500 -0.218 0.000 2.668 223 R HA 0.520 4.860 4.340 -0.000 0.000 0.272 223 R C -1.561 174.595 176.300 -0.240 0.000 1.019 223 R CA -0.518 55.428 56.100 -0.256 0.000 0.894 223 R CB 1.860 31.830 30.300 -0.549 0.000 1.228 223 R HN 0.680 nan 8.270 nan 0.000 0.460 224 S N 2.523 118.124 115.700 -0.165 0.000 2.565 224 S HA 0.419 4.889 4.470 -0.000 0.000 0.274 224 S C -1.090 173.486 174.600 -0.041 0.000 1.309 224 S CA -0.492 57.645 58.200 -0.106 0.000 1.043 224 S CB 0.442 63.591 63.200 -0.086 0.000 0.939 224 S HN 0.483 nan 8.310 nan 0.000 0.504 225 W N 2.637 123.778 121.300 -0.265 0.000 2.739 225 W HA 0.420 5.080 4.660 -0.000 0.000 0.331 225 W C -0.654 175.637 176.519 -0.379 0.000 1.049 225 W CA -0.652 56.533 57.345 -0.266 0.000 1.234 225 W CB 1.789 31.094 29.460 -0.258 0.000 1.404 225 W HN 0.535 nan 8.180 nan 0.000 0.477 226 S N 4.538 119.813 115.700 -0.709 0.000 2.411 226 S HA 0.178 4.648 4.470 -0.000 0.000 0.294 226 S C 0.431 174.816 174.600 -0.359 0.000 1.115 226 S CA -0.261 57.660 58.200 -0.464 0.000 1.071 226 S CB 0.326 63.329 63.200 -0.328 0.000 0.967 226 S HN 0.423 nan 8.310 nan 0.000 0.488 227 Y N 3.821 124.159 120.300 0.062 0.000 2.243 227 Y HA 0.170 4.720 4.550 -0.000 0.000 0.293 227 Y C 2.255 178.164 175.900 0.016 0.000 1.124 227 Y CA 0.407 58.587 58.100 0.134 0.000 1.159 227 Y CB -0.846 37.686 38.460 0.120 0.000 1.008 227 Y HN 0.911 nan 8.280 nan 0.000 0.527 228 G N 1.280 110.141 108.800 0.102 0.000 2.341 228 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.292 228 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.292 228 G C 1.146 176.037 174.900 -0.014 0.000 1.021 228 G CA 0.703 45.830 45.100 0.046 0.000 0.905 228 G HN 0.521 nan 8.290 nan 0.000 0.508 229 Q N -0.899 118.788 119.800 -0.188 0.000 2.437 229 Q HA 0.011 4.351 4.340 -0.000 0.000 0.210 229 Q C 1.339 177.064 176.000 -0.459 0.000 0.972 229 Q CA 1.238 56.831 55.803 -0.350 0.000 0.903 229 Q CB -0.201 28.229 28.738 -0.513 0.000 0.967 229 Q HN 0.639 nan 8.270 nan 0.000 0.486 230 F N 1.280 121.204 119.950 -0.042 0.000 2.653 230 F HA 0.357 4.884 4.527 0.000 0.000 0.304 230 F C 0.585 176.431 175.800 0.077 0.000 1.092 230 F CA -0.723 57.206 58.000 -0.118 0.000 1.279 230 F CB 0.290 39.154 39.000 -0.226 0.000 1.044 230 F HN -0.129 nan 8.300 nan 0.000 0.564 231 E N 0.752 121.089 120.200 0.229 0.000 2.371 231 E HA -0.002 4.348 4.350 -0.000 0.000 0.257 231 E C -0.503 176.202 176.600 0.175 0.000 1.134 231 E CA -0.311 56.235 56.400 0.243 0.000 0.919 231 E CB 0.659 30.494 29.700 0.224 0.000 1.025 231 E HN 0.029 nan 8.360 nan 0.000 0.438 232 D N -0.627 119.843 120.400 0.116 0.000 2.487 232 D HA 0.147 4.787 4.640 -0.000 0.000 0.243 232 D C 1.076 177.417 176.300 0.067 0.000 1.154 232 D CA 1.814 55.851 54.000 0.061 0.000 0.876 232 D CB 0.181 40.971 40.800 -0.017 0.000 1.161 232 D HN 0.565 nan 8.370 nan 0.000 0.478 233 G N 3.759 112.601 108.800 0.070 0.000 2.299 233 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.237 233 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.237 233 G C 1.215 176.168 174.900 0.088 0.000 1.027 233 G CA 0.243 45.382 45.100 0.064 0.000 0.619 233 G HN 0.494 nan 8.290 nan 0.000 0.513 234 I N 1.197 121.833 120.570 0.110 0.000 2.163 234 I HA -0.053 4.117 4.170 -0.000 0.000 0.243 234 I C 2.819 179.015 176.117 0.131 0.000 1.085 234 I CA 1.674 63.049 61.300 0.124 0.000 1.347 234 I CB -1.337 36.733 38.000 0.117 0.000 1.044 234 I HN 0.405 nan 8.210 nan 0.000 0.408 235 L N 0.503 121.806 121.223 0.134 0.000 2.042 235 L HA -0.274 4.066 4.340 -0.000 0.000 0.210 235 L C 2.192 179.129 176.870 0.112 0.000 1.076 235 L CA 1.806 56.699 54.840 0.087 0.000 0.749 235 L CB -0.367 41.652 42.059 -0.066 0.000 0.893 235 L HN 0.299 nan 8.230 nan 0.000 0.432 236 D N -1.063 119.415 120.400 0.130 0.000 2.144 236 D HA -0.136 4.504 4.640 -0.000 0.000 0.200 236 D C 1.989 178.395 176.300 0.177 0.000 0.978 236 D CA 1.707 55.807 54.000 0.166 0.000 0.833 236 D CB 0.047 40.927 40.800 0.134 0.000 0.961 236 D HN 0.391 nan 8.370 nan 0.000 0.470 237 T N 0.424 115.076 114.554 0.164 0.000 2.788 237 T HA -0.128 4.222 4.350 -0.000 0.000 0.268 237 T C 2.283 177.197 174.700 0.357 0.000 1.044 237 T CA 0.716 62.953 62.100 0.228 0.000 1.139 237 T CB -0.456 68.532 68.868 0.200 0.000 0.867 237 T HN 0.239 nan 8.240 nan 0.000 0.454 238 C N 1.222 120.689 119.300 0.278 0.000 2.422 238 C HA 0.085 4.545 4.460 -0.000 0.000 0.279 238 C C 2.646 177.811 174.990 0.291 0.000 1.305 238 C CA 0.277 59.467 59.018 0.287 0.000 1.757 238 C CB -1.425 26.325 27.740 0.016 0.000 1.962 238 C HN 0.525 nan 8.230 nan 0.000 0.499 239 L N -0.821 120.545 121.223 0.240 0.000 2.131 239 L HA -0.087 4.253 4.340 -0.000 0.000 0.206 239 L C 2.519 179.528 176.870 0.233 0.000 1.087 239 L CA 1.447 56.412 54.840 0.207 0.000 0.767 239 L CB -0.901 41.261 42.059 0.171 0.000 0.917 239 L HN 0.346 nan 8.230 nan 0.000 0.441 240 Y N 0.835 121.220 120.300 0.141 0.000 2.181 240 Y HA -0.209 4.341 4.550 0.000 0.000 0.288 240 Y C 2.421 178.423 175.900 0.170 0.000 1.146 240 Y CA 1.436 59.605 58.100 0.115 0.000 1.164 240 Y CB -0.327 38.178 38.460 0.075 0.000 0.982 240 Y HN -0.190 nan 8.280 nan 0.000 0.515 241 V N 0.946 121.023 119.914 0.272 0.000 2.332 241 V HA -0.394 3.726 4.120 -0.000 0.000 0.248 241 V C 2.382 178.535 176.094 0.099 0.000 1.055 241 V CA 2.440 64.875 62.300 0.225 0.000 1.038 241 V CB -0.621 31.430 31.823 0.380 0.000 0.651 241 V HN 0.516 nan 8.190 nan 0.000 0.450 242 M N -0.771 118.937 119.600 0.180 0.000 2.229 242 M HA -0.147 4.333 4.480 -0.000 0.000 0.264 242 M C 1.812 178.130 176.300 0.031 0.000 1.063 242 M CA 1.530 56.910 55.300 0.134 0.000 1.114 242 M CB -0.645 32.075 32.600 0.200 0.000 1.387 242 M HN 0.329 nan 8.290 nan 0.000 0.420 243 D N 0.207 120.595 120.400 -0.021 0.000 2.123 243 D HA -0.056 4.584 4.640 -0.000 0.000 0.200 243 D C 2.109 178.326 176.300 -0.139 0.000 0.976 243 D CA 0.884 54.843 54.000 -0.069 0.000 0.831 243 D CB -0.212 40.550 40.800 -0.064 0.000 0.974 243 D HN 0.119 nan 8.370 nan 0.000 0.469 244 R N 0.624 120.959 120.500 -0.276 0.000 2.241 244 R HA 0.053 4.393 4.340 -0.000 0.000 0.224 244 R C 1.469 177.712 176.300 -0.094 0.000 1.101 244 R CA 0.527 56.482 56.100 -0.241 0.000 0.995 244 R CB -0.404 29.697 30.300 -0.332 0.000 0.870 244 R HN 0.085 nan 8.270 nan 0.000 0.463 245 A N 0.298 123.080 122.820 -0.063 0.000 2.345 245 A HA 0.046 4.366 4.320 -0.000 0.000 0.225 245 A C 0.352 177.922 177.584 -0.024 0.000 1.243 245 A CA -0.210 51.807 52.037 -0.034 0.000 0.875 245 A CB 0.026 19.010 19.000 -0.027 0.000 0.929 245 A HN 0.322 nan 8.150 nan 0.000 0.502 246 Q N -1.449 118.336 119.800 -0.025 0.000 2.435 246 Q HA -0.219 4.121 4.340 -0.000 0.000 0.286 246 Q C 0.105 176.104 176.000 -0.002 0.000 1.229 246 Q CA 0.854 56.650 55.803 -0.012 0.000 0.884 246 Q CB -1.504 27.227 28.738 -0.011 0.000 1.245 246 Q HN 0.821 nan 8.270 nan 0.000 0.488 247 M N 1.393 120.998 119.600 0.008 0.000 2.227 247 M HA 0.054 4.534 4.480 -0.000 0.000 0.349 247 M C 0.103 176.418 176.300 0.025 0.000 1.443 247 M CA 0.030 55.343 55.300 0.021 0.000 1.110 247 M CB 0.450 33.079 32.600 0.048 0.000 1.773 247 M HN 0.128 nan 8.290 nan 0.000 0.463 248 D N 3.999 124.412 120.400 0.021 0.000 2.531 248 D HA -0.047 4.593 4.640 -0.000 0.000 0.239 248 D C 0.908 177.226 176.300 0.030 0.000 1.144 248 D CA 0.321 54.335 54.000 0.023 0.000 0.869 248 D CB 0.609 41.420 40.800 0.018 0.000 1.160 248 D HN 0.708 nan 8.370 nan 0.000 0.484 249 L N 2.755 123.991 121.223 0.022 0.000 2.127 249 L HA -0.195 4.145 4.340 -0.000 0.000 0.211 249 L C 2.188 179.073 176.870 0.026 0.000 1.089 249 L CA 0.990 55.835 54.840 0.009 0.000 0.757 249 L CB -0.351 41.694 42.059 -0.024 0.000 0.899 249 L HN 0.424 nan 8.230 nan 0.000 0.434 250 S N -0.326 115.396 115.700 0.036 0.000 2.547 250 S HA -0.044 4.426 4.470 -0.000 0.000 0.235 250 S C 1.676 176.313 174.600 0.061 0.000 0.980 250 S CA 0.907 59.138 58.200 0.051 0.000 0.941 250 S CB -0.098 63.131 63.200 0.048 0.000 0.763 250 S HN 0.613 nan 8.310 nan 0.000 0.532 251 G N 0.813 109.649 108.800 0.061 0.000 3.159 251 G HA2 0.080 4.040 3.960 -0.000 0.000 0.232 251 G HA3 0.080 4.040 3.960 -0.000 0.000 0.232 251 G C 1.034 175.997 174.900 0.105 0.000 1.116 251 G CA -0.507 44.639 45.100 0.075 0.000 0.767 251 G HN 0.352 nan 8.290 nan 0.000 0.547 252 R N 0.553 121.112 120.500 0.098 0.000 2.328 252 R HA 0.078 4.418 4.340 -0.000 0.000 0.200 252 R C 1.929 178.302 176.300 0.122 0.000 0.983 252 R CA 0.493 56.668 56.100 0.125 0.000 1.062 252 R CB 0.300 30.651 30.300 0.086 0.000 0.956 252 R HN 0.239 nan 8.270 nan 0.000 0.479 253 G N 0.187 109.059 108.800 0.120 0.000 3.159 253 G HA2 -0.081 3.879 3.960 -0.000 0.000 0.232 253 G HA3 -0.081 3.879 3.960 -0.000 0.000 0.232 253 G C 0.040 175.096 174.900 0.260 0.000 1.116 253 G CA -0.281 44.879 45.100 0.100 0.000 0.767 253 G HN 0.063 nan 8.290 nan 0.000 0.547 254 N N 0.861 119.717 118.700 0.259 0.000 2.501 254 N HA 0.332 5.072 4.740 -0.000 0.000 0.245 254 N C -1.825 173.820 175.510 0.226 0.000 0.974 254 N CA -2.241 50.941 53.050 0.220 0.000 0.941 254 N CB 2.480 41.048 38.487 0.135 0.000 1.122 254 N HN -0.182 nan 8.380 nan 0.000 0.507 255 P HA -0.040 nan 4.420 nan 0.000 0.218 255 P C 1.444 178.751 177.300 0.012 0.000 1.149 255 P CA 0.897 63.977 63.100 -0.033 0.000 0.817 255 P CB 0.507 32.082 31.700 -0.209 0.000 0.785 256 I N -0.166 120.422 120.570 0.031 0.000 2.142 256 I HA -0.265 3.905 4.170 -0.000 0.000 0.240 256 I C 2.466 178.569 176.117 -0.023 0.000 1.078 256 I CA 1.653 62.965 61.300 0.020 0.000 1.343 256 I CB -0.542 37.500 38.000 0.071 0.000 1.046 256 I HN -0.054 nan 8.210 nan 0.000 0.405 257 K N 0.822 121.230 120.400 0.013 0.000 2.148 257 K HA -0.107 4.213 4.320 -0.000 0.000 0.204 257 K C 2.022 178.650 176.600 0.046 0.000 1.050 257 K CA 0.875 57.159 56.287 -0.005 0.000 0.942 257 K CB 0.153 32.672 32.500 0.032 0.000 0.724 257 K HN 0.083 nan 8.250 nan 0.000 0.446 258 V N 1.072 121.061 119.914 0.125 0.000 2.307 258 V HA -0.237 3.883 4.120 -0.000 0.000 0.245 258 V C 2.227 178.459 176.094 0.230 0.000 1.045 258 V CA 2.160 64.593 62.300 0.222 0.000 1.024 258 V CB -0.241 31.771 31.823 0.314 0.000 0.651 258 V HN 0.509 nan 8.190 nan 0.000 0.449 259 S N 0.373 116.189 115.700 0.193 0.000 2.406 259 S HA -0.213 4.257 4.470 -0.000 0.000 0.228 259 S C 1.997 176.649 174.600 0.088 0.000 1.020 259 S CA 1.286 59.664 58.200 0.296 0.000 0.965 259 S CB -0.432 62.931 63.200 0.272 0.000 0.798 259 S HN 0.501 nan 8.310 nan 0.000 0.488 260 R N 1.102 121.562 120.500 -0.067 0.000 2.092 260 R HA 0.063 4.403 4.340 -0.000 0.000 0.231 260 R C 1.867 178.055 176.300 -0.188 0.000 1.119 260 R CA 1.317 57.281 56.100 -0.227 0.000 0.970 260 R CB -0.476 29.581 30.300 -0.404 0.000 0.864 260 R HN 0.369 nan 8.270 nan 0.000 0.440 261 V N -0.872 118.980 119.914 -0.103 0.000 2.500 261 V HA 0.101 4.221 4.120 -0.000 0.000 0.243 261 V C 2.200 178.223 176.094 -0.119 0.000 1.039 261 V CA 1.547 63.789 62.300 -0.097 0.000 1.053 261 V CB -0.395 31.404 31.823 -0.040 0.000 0.695 261 V HN 0.576 nan 8.190 nan 0.000 0.463 262 G N 0.845 109.593 108.800 -0.086 0.000 2.442 262 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.219 262 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.219 262 G C 1.876 176.580 174.900 -0.327 0.000 1.141 262 G CA 1.523 46.448 45.100 -0.292 0.000 0.763 262 G HN 0.623 nan 8.290 nan 0.000 0.554 263 S N 1.253 116.692 115.700 -0.437 0.000 2.368 263 S HA 0.154 4.624 4.470 -0.000 0.000 0.224 263 S C 2.605 176.911 174.600 -0.491 0.000 1.029 263 S CA 1.406 59.071 58.200 -0.891 0.000 0.988 263 S CB -0.557 62.116 63.200 -0.879 0.000 0.838 263 S HN 0.593 nan 8.310 nan 0.000 0.462 264 A N 1.518 124.149 122.820 -0.314 0.000 2.070 264 A HA 0.136 4.456 4.320 -0.000 0.000 0.220 264 A C 2.199 179.672 177.584 -0.186 0.000 1.159 264 A CA 1.377 53.300 52.037 -0.191 0.000 0.656 264 A CB -0.613 18.307 19.000 -0.133 0.000 0.800 264 A HN 0.512 nan 8.150 nan 0.000 0.453 265 M N -0.573 118.892 119.600 -0.225 0.000 2.506 265 M HA -0.002 4.478 4.480 -0.000 0.000 0.260 265 M C 1.942 178.075 176.300 -0.278 0.000 1.104 265 M CA 0.717 55.892 55.300 -0.208 0.000 1.112 265 M CB -0.653 31.838 32.600 -0.181 0.000 1.401 265 M HN 0.265 nan 8.290 nan 0.000 0.473 266 V N 0.614 120.325 119.914 -0.339 0.000 2.343 266 V HA -0.188 3.932 4.120 -0.000 0.000 0.247 266 V C 1.058 176.833 176.094 -0.531 0.000 1.051 266 V CA 1.206 63.271 62.300 -0.392 0.000 1.036 266 V CB -0.888 30.705 31.823 -0.383 0.000 0.654 266 V HN 0.460 nan 8.190 nan 0.000 0.451 267 N N 0.890 119.266 118.700 -0.541 0.000 2.462 267 N HA 0.409 5.149 4.740 -0.000 0.000 0.242 267 N C -0.091 175.251 175.510 -0.280 0.000 1.010 267 N CA 0.103 52.819 53.050 -0.557 0.000 0.939 267 N CB 1.011 39.191 38.487 -0.512 0.000 1.127 267 N HN 0.342 nan 8.380 nan 0.000 0.509 268 A N 4.282 126.975 122.820 -0.211 0.000 2.752 268 A HA 0.022 4.342 4.320 -0.000 0.000 0.292 268 A C 0.259 177.809 177.584 -0.057 0.000 1.597 268 A CA 0.043 52.018 52.037 -0.104 0.000 1.241 268 A CB -0.556 18.412 19.000 -0.054 0.000 1.061 268 A HN 0.656 nan 8.150 nan 0.000 0.576 269 K N 2.976 123.333 120.400 -0.071 0.000 2.383 269 K HA 0.160 4.480 4.320 -0.000 0.000 0.286 269 K C 0.068 176.652 176.600 -0.025 0.000 1.051 269 K CA -0.115 56.135 56.287 -0.062 0.000 0.974 269 K CB 0.355 32.798 32.500 -0.096 0.000 0.968 269 K HN 0.820 nan 8.250 nan 0.000 0.475 270 D N 1.712 122.110 120.400 -0.004 0.000 4.230 270 D HA -0.228 4.412 4.640 -0.000 0.000 0.138 270 D C -0.311 176.005 176.300 0.028 0.000 0.772 270 D CA 1.379 55.388 54.000 0.015 0.000 1.136 270 D CB -0.321 40.484 40.800 0.008 0.000 0.547 270 D HN 0.606 nan 8.370 nan 0.000 0.537 271 D N 0.604 121.020 120.400 0.027 0.000 2.849 271 D HA 0.349 4.989 4.640 -0.000 0.000 0.314 271 D C 0.335 176.661 176.300 0.043 0.000 1.210 271 D CA 0.026 54.049 54.000 0.039 0.000 0.756 271 D CB 0.787 41.618 40.800 0.051 0.000 1.222 271 D HN 0.338 nan 8.370 nan 0.000 0.521 272 E N -0.616 119.598 120.200 0.024 0.000 2.406 272 E HA 0.252 4.602 4.350 -0.000 0.000 0.204 272 E C 1.297 177.910 176.600 0.021 0.000 0.820 272 E CA -0.006 56.414 56.400 0.035 0.000 1.136 272 E CB 0.585 30.294 29.700 0.015 0.000 1.129 272 E HN 0.277 nan 8.360 nan 0.000 0.530 273 G N 0.227 108.993 108.800 -0.057 0.000 2.525 273 G HA2 0.105 4.065 3.960 -0.000 0.000 0.276 273 G HA3 0.105 4.065 3.960 -0.000 0.000 0.276 273 G C 0.972 175.683 174.900 -0.315 0.000 1.388 273 G CA 0.044 45.044 45.100 -0.167 0.000 1.050 273 G HN 0.067 nan 8.290 nan 0.000 0.520 274 V N -0.558 119.059 119.914 -0.494 0.000 2.302 274 V HA 0.108 4.228 4.120 -0.000 0.000 0.243 274 V C 1.015 176.902 176.094 -0.345 0.000 1.036 274 V CA 1.209 63.096 62.300 -0.689 0.000 1.020 274 V CB -0.755 30.734 31.823 -0.556 0.000 0.657 274 V HN 0.260 nan 8.190 nan 0.000 0.453 275 L N -0.529 120.547 121.223 -0.245 0.000 2.346 275 L HA 0.524 4.864 4.340 -0.000 0.000 0.274 275 L C -0.886 175.990 176.870 0.010 0.000 1.007 275 L CA -0.488 54.308 54.840 -0.074 0.000 0.818 275 L CB 2.248 44.353 42.059 0.077 0.000 1.284 275 L HN -0.141 nan 8.230 nan 0.000 0.424 276 V N 1.770 121.761 119.914 0.129 0.000 2.348 276 V HA 0.401 4.521 4.120 -0.000 0.000 0.270 276 V C 0.722 177.059 176.094 0.406 0.000 1.037 276 V CA -0.580 61.856 62.300 0.227 0.000 0.872 276 V CB 1.070 33.023 31.823 0.216 0.000 1.002 276 V HN 0.854 nan 8.190 nan 0.000 0.464 277 G N 3.142 112.210 108.800 0.446 0.000 2.364 277 G HA2 0.430 4.390 3.960 -0.000 0.000 0.267 277 G HA3 0.430 4.390 3.960 -0.000 0.000 0.267 277 G C -0.140 174.930 174.900 0.284 0.000 1.233 277 G CA -0.051 45.302 45.100 0.422 0.000 0.885 277 G HN 0.698 nan 8.290 nan 0.000 0.490 278 S N 2.038 117.714 115.700 -0.040 0.000 2.668 278 S HA 0.413 4.883 4.470 -0.000 0.000 0.277 278 S C -0.394 174.224 174.600 0.030 0.000 1.170 278 S CA -0.772 57.453 58.200 0.043 0.000 0.994 278 S CB 0.588 63.605 63.200 -0.306 0.000 1.051 278 S HN 0.673 nan 8.310 nan 0.000 0.484 279 W N 3.793 125.092 121.300 -0.002 0.000 2.862 279 W HA 0.177 4.837 4.660 -0.000 0.000 0.426 279 W C 0.944 177.350 176.519 -0.188 0.000 0.950 279 W CA -0.353 56.978 57.345 -0.024 0.000 2.150 279 W CB 0.396 29.733 29.460 -0.205 0.000 1.161 279 W HN 0.837 nan 8.180 nan 0.000 0.696 280 D N -0.389 119.942 120.400 -0.115 0.000 2.349 280 D HA -0.160 4.480 4.640 -0.000 0.000 0.224 280 D C 0.812 176.945 176.300 -0.278 0.000 1.029 280 D CA 0.347 54.202 54.000 -0.242 0.000 0.879 280 D CB -0.244 40.383 40.800 -0.287 0.000 0.906 280 D HN 0.189 nan 8.370 nan 0.000 0.528 281 N N -1.076 117.381 118.700 -0.406 0.000 2.815 281 N HA -0.179 4.561 4.740 -0.000 0.000 0.247 281 N C 0.313 175.586 175.510 -0.395 0.000 1.030 281 N CA 1.151 54.088 53.050 -0.187 0.000 0.881 281 N CB -0.673 37.916 38.487 0.171 0.000 1.134 281 N HN 0.291 nan 8.380 nan 0.000 0.582 282 I N -2.095 117.991 120.570 -0.807 0.000 3.518 282 I HA 0.133 4.303 4.170 -0.000 0.000 0.260 282 I C 0.223 176.103 176.117 -0.394 0.000 1.148 282 I CA 0.834 61.876 61.300 -0.430 0.000 1.440 282 I CB -1.053 36.779 38.000 -0.281 0.000 1.485 282 I HN 0.148 nan 8.210 nan 0.000 0.456 283 Y N 1.522 121.726 120.300 -0.160 0.000 2.978 283 Y HA -0.122 4.428 4.550 -0.000 0.000 0.142 283 Y C 1.506 177.437 175.900 0.052 0.000 1.837 283 Y CA 0.065 58.063 58.100 -0.169 0.000 0.947 283 Y CB -2.139 36.303 38.460 -0.029 0.000 1.519 283 Y HN 0.280 nan 8.280 nan 0.000 0.359 284 A N 0.631 123.480 122.820 0.047 0.000 1.885 284 A HA -0.189 4.131 4.320 -0.000 0.000 0.215 284 A C 0.657 178.002 177.584 -0.398 0.000 1.255 284 A CA 2.256 54.177 52.037 -0.194 0.000 0.692 284 A CB -0.533 18.402 19.000 -0.108 0.000 0.842 284 A HN 0.628 nan 8.150 nan 0.000 0.465 285 Y N -0.602 119.859 120.300 0.268 0.000 2.836 285 Y HA 0.543 5.093 4.550 -0.000 0.000 0.359 285 Y C 0.738 176.677 175.900 0.065 0.000 1.060 285 Y CA 0.126 58.312 58.100 0.144 0.000 1.161 285 Y CB 0.653 39.170 38.460 0.096 0.000 1.225 285 Y HN 0.624 nan 8.280 nan 0.000 0.621 286 G N -0.705 108.183 108.800 0.147 0.000 2.489 286 G HA2 0.497 4.457 3.960 -0.000 0.000 0.305 286 G HA3 0.497 4.457 3.960 -0.000 0.000 0.305 286 G C -1.954 172.947 174.900 0.002 0.000 1.311 286 G CA -0.766 44.306 45.100 -0.046 0.000 0.813 286 G HN -0.022 nan 8.290 nan 0.000 0.480 287 V N 1.425 121.274 119.914 -0.108 0.000 2.481 287 V HA 0.455 4.575 4.120 -0.000 0.000 0.286 287 V C -2.129 173.802 176.094 -0.273 0.000 1.042 287 V CA -1.457 60.629 62.300 -0.358 0.000 0.928 287 V CB 1.809 33.052 31.823 -0.967 0.000 0.986 287 V HN 0.490 nan 8.190 nan 0.000 0.462 288 P HA 0.196 nan 4.420 nan 0.000 0.271 288 P C -2.109 174.889 177.300 -0.505 0.000 1.226 288 P CA -1.236 61.507 63.100 -0.597 0.000 0.765 288 P CB 0.369 31.851 31.700 -0.363 0.000 0.835 289 P HA -0.208 nan 4.420 nan 0.000 0.218 289 P C 1.005 178.420 177.300 0.191 0.000 1.150 289 P CA 1.741 64.773 63.100 -0.113 0.000 0.841 289 P CB -0.141 31.262 31.700 -0.496 0.000 0.784 290 S N -1.402 114.439 115.700 0.236 0.000 2.489 290 S HA 0.037 4.507 4.470 -0.000 0.000 0.228 290 S C 1.886 176.573 174.600 0.146 0.000 0.995 290 S CA 0.903 59.391 58.200 0.481 0.000 0.934 290 S CB -0.539 62.933 63.200 0.454 0.000 0.771 290 S HN 0.174 nan 8.310 nan 0.000 0.522 291 A N 0.617 123.330 122.820 -0.178 0.000 1.975 291 A HA 0.120 4.440 4.320 -0.000 0.000 0.215 291 A C 0.373 177.695 177.584 -0.438 0.000 1.170 291 A CA -0.236 51.506 52.037 -0.491 0.000 0.656 291 A CB -0.527 18.043 19.000 -0.716 0.000 0.821 291 A HN 0.553 nan 8.150 nan 0.000 0.449 292 W N 1.063 122.323 121.300 -0.067 0.000 2.343 292 W HA 0.162 4.821 4.660 -0.000 0.000 0.337 292 W C 1.553 178.031 176.519 -0.069 0.000 1.320 292 W CA 0.607 57.934 57.345 -0.031 0.000 1.290 292 W CB 0.366 29.895 29.460 0.115 0.000 1.206 292 W HN 0.307 nan 8.180 nan 0.000 0.565 293 T N 0.389 114.966 114.554 0.039 0.000 3.044 293 T HA 0.488 4.838 4.350 -0.000 0.000 0.250 293 T C 0.668 174.955 174.700 -0.687 0.000 1.081 293 T CA 0.386 62.397 62.100 -0.149 0.000 1.040 293 T CB 0.197 69.052 68.868 -0.022 0.000 0.962 293 T HN 0.654 nan 8.240 nan 0.000 0.506 294 G N -0.147 108.067 108.800 -0.976 0.000 2.349 294 G HA2 0.404 4.364 3.960 -0.000 0.000 0.294 294 G HA3 0.404 4.364 3.960 -0.000 0.000 0.294 294 G C 0.208 174.660 174.900 -0.748 0.000 1.380 294 G CA -0.028 44.132 45.100 -1.566 0.000 0.811 294 G HN -0.106 nan 8.290 nan 0.000 0.519 295 S N -0.943 114.565 115.700 -0.319 0.000 2.383 295 S HA -0.096 4.374 4.470 -0.000 0.000 0.227 295 S C 2.645 177.259 174.600 0.024 0.000 1.026 295 S CA 1.442 59.694 58.200 0.086 0.000 0.981 295 S CB -0.223 63.163 63.200 0.311 0.000 0.818 295 S HN 0.551 nan 8.310 nan 0.000 0.472 296 V N 2.717 122.634 119.914 0.006 0.000 2.250 296 V HA -0.286 3.834 4.120 -0.000 0.000 0.250 296 V C 2.250 178.376 176.094 0.053 0.000 1.060 296 V CA 2.082 64.410 62.300 0.047 0.000 1.030 296 V CB -0.761 31.096 31.823 0.058 0.000 0.643 296 V HN 0.415 nan 8.190 nan 0.000 0.445 297 D N -0.200 120.235 120.400 0.058 0.000 2.103 297 D HA -0.183 4.457 4.640 -0.000 0.000 0.190 297 D C 2.045 178.373 176.300 0.046 0.000 0.997 297 D CA 1.916 55.982 54.000 0.110 0.000 0.833 297 D CB -0.300 40.658 40.800 0.263 0.000 0.961 297 D HN 0.428 nan 8.370 nan 0.000 0.447 298 I N 0.817 121.314 120.570 -0.122 0.000 2.052 298 I HA -0.302 3.868 4.170 -0.000 0.000 0.235 298 I C 2.712 178.828 176.117 -0.003 0.000 1.046 298 I CA 0.945 62.106 61.300 -0.231 0.000 1.308 298 I CB -0.429 37.317 38.000 -0.423 0.000 1.031 298 I HN 0.012 nan 8.210 nan 0.000 0.395 299 L N 0.194 121.448 121.223 0.053 0.000 2.021 299 L HA -0.280 4.060 4.340 -0.000 0.000 0.215 299 L C 2.584 179.561 176.870 0.179 0.000 1.074 299 L CA 1.586 56.528 54.840 0.169 0.000 0.760 299 L CB -0.534 41.629 42.059 0.173 0.000 0.889 299 L HN 0.345 nan 8.230 nan 0.000 0.433 300 L N -1.111 120.177 121.223 0.107 0.000 2.072 300 L HA -0.161 4.179 4.340 -0.000 0.000 0.205 300 L C 2.654 179.557 176.870 0.055 0.000 1.079 300 L CA 0.866 55.745 54.840 0.066 0.000 0.752 300 L CB -0.580 41.512 42.059 0.056 0.000 0.906 300 L HN 0.275 nan 8.230 nan 0.000 0.436 301 E N -0.190 120.062 120.200 0.087 0.000 2.204 301 E HA -0.249 4.101 4.350 -0.000 0.000 0.195 301 E C 1.948 178.621 176.600 0.123 0.000 0.990 301 E CA 1.193 57.648 56.400 0.093 0.000 0.821 301 E CB -0.059 29.713 29.700 0.120 0.000 0.750 301 E HN 0.463 nan 8.360 nan 0.000 0.477 302 Y N 1.260 121.569 120.300 0.016 0.000 2.184 302 Y HA -0.131 4.419 4.550 -0.000 0.000 0.290 302 Y C 2.396 178.311 175.900 0.025 0.000 1.129 302 Y CA 1.913 60.039 58.100 0.043 0.000 1.144 302 Y CB -0.386 38.118 38.460 0.074 0.000 0.995 302 Y HN -0.088 nan 8.280 nan 0.000 0.513 303 R N 0.567 120.931 120.500 -0.227 0.000 2.083 303 R HA -0.140 4.200 4.340 -0.000 0.000 0.237 303 R C 2.189 178.249 176.300 -0.400 0.000 1.137 303 R CA 2.251 58.022 56.100 -0.548 0.000 0.951 303 R CB -0.965 29.114 30.300 -0.369 0.000 0.851 303 R HN 0.368 nan 8.270 nan 0.000 0.434 304 S N -0.618 114.968 115.700 -0.190 0.000 2.423 304 S HA -0.106 4.364 4.470 -0.000 0.000 0.231 304 S C 1.750 176.294 174.600 -0.093 0.000 1.014 304 S CA 1.256 59.383 58.200 -0.121 0.000 0.965 304 S CB -0.127 63.042 63.200 -0.052 0.000 0.785 304 S HN 0.637 nan 8.310 nan 0.000 0.495 305 S N 0.316 115.972 115.700 -0.073 0.000 2.497 305 S HA 0.204 4.674 4.470 -0.000 0.000 0.218 305 S C 0.410 174.994 174.600 -0.027 0.000 1.023 305 S CA 0.013 58.200 58.200 -0.022 0.000 0.913 305 S CB -0.220 63.002 63.200 0.036 0.000 0.800 305 S HN 0.446 nan 8.310 nan 0.000 0.505 306 E N 0.665 120.793 120.200 -0.119 0.000 2.883 306 E HA -0.162 4.188 4.350 -0.000 0.000 0.271 306 E C -0.896 175.754 176.600 0.084 0.000 1.049 306 E CA 0.531 56.882 56.400 -0.081 0.000 0.817 306 E CB -1.525 28.191 29.700 0.025 0.000 1.407 306 E HN 0.508 nan 8.360 nan 0.000 0.434 307 N N -0.240 118.560 118.700 0.166 0.000 2.229 307 N HA 0.354 5.094 4.740 -0.000 0.000 0.298 307 N C -2.834 172.873 175.510 0.328 0.000 1.114 307 N CA -2.118 51.064 53.050 0.219 0.000 0.776 307 N CB 1.717 40.276 38.487 0.120 0.000 1.501 307 N HN -0.255 nan 8.380 nan 0.000 0.474 308 P HA 0.026 nan 4.420 nan 0.000 0.263 308 P C -0.381 176.959 177.300 0.067 0.000 1.195 308 P CA -0.015 63.139 63.100 0.091 0.000 0.762 308 P CB 0.533 32.255 31.700 0.037 0.000 0.799 309 V N 5.916 125.847 119.914 0.027 0.000 2.555 309 V HA 0.176 4.296 4.120 -0.000 0.000 0.286 309 V C 0.876 176.962 176.094 -0.013 0.000 1.044 309 V CA 0.088 62.402 62.300 0.023 0.000 1.026 309 V CB 0.250 32.057 31.823 -0.027 0.000 0.981 309 V HN 0.471 nan 8.190 nan 0.000 0.480 310 R N 4.160 124.609 120.500 -0.085 0.000 2.494 310 R HA 0.686 5.026 4.340 -0.000 0.000 0.305 310 R C -1.575 174.611 176.300 -0.190 0.000 0.959 310 R CA -0.531 55.315 56.100 -0.422 0.000 0.864 310 R CB 1.542 31.186 30.300 -1.093 0.000 1.159 310 R HN 0.632 nan 8.270 nan 0.000 0.446 311 Y N -0.301 120.193 120.300 0.323 0.000 2.634 311 Y HA 0.760 5.310 4.550 -0.000 0.000 0.340 311 Y C 0.670 176.634 175.900 0.107 0.000 1.058 311 Y CA -1.003 57.198 58.100 0.167 0.000 1.081 311 Y CB 2.517 41.015 38.460 0.064 0.000 1.295 311 Y HN 0.718 nan 8.280 nan 0.000 0.487 312 G N 0.042 108.886 108.800 0.073 0.000 2.642 312 G HA2 0.709 4.669 3.960 -0.000 0.000 0.293 312 G HA3 0.709 4.669 3.960 -0.000 0.000 0.293 312 G C -1.875 172.354 174.900 -1.118 0.000 1.341 312 G CA -0.789 44.070 45.100 -0.401 0.000 0.916 312 G HN 0.464 nan 8.290 nan 0.000 0.474 313 Q N -1.050 117.816 119.800 -1.557 0.000 2.501 313 Q HA 0.266 4.606 4.340 -0.000 0.000 0.288 313 Q C 1.486 176.816 176.000 -1.116 0.000 1.051 313 Q CA -0.543 54.355 55.803 -1.508 0.000 0.788 313 Q CB 2.408 30.411 28.738 -1.224 0.000 1.469 313 Q HN 0.968 nan 8.270 nan 0.000 0.416 314 C N -0.326 118.878 119.300 -0.161 0.000 2.397 314 C HA -0.217 4.243 4.460 -0.000 0.000 0.274 314 C C 1.907 176.892 174.990 -0.010 0.000 1.147 314 C CA 1.870 60.959 59.018 0.117 0.000 1.847 314 C CB -1.536 26.545 27.740 0.568 0.000 2.170 314 C HN 1.019 nan 8.230 nan 0.000 0.470 315 W N 1.272 122.502 121.300 -0.118 0.000 2.476 315 W HA 0.301 4.961 4.660 0.000 0.000 0.281 315 W C 1.875 178.141 176.519 -0.422 0.000 1.230 315 W CA 0.941 58.149 57.345 -0.229 0.000 1.287 315 W CB -0.994 28.342 29.460 -0.207 0.000 1.108 315 W HN 0.149 nan 8.180 nan 0.000 0.567 316 V N 1.344 120.647 119.914 -1.018 0.000 2.453 316 V HA -0.241 3.879 4.120 -0.000 0.000 0.247 316 V C 2.260 178.213 176.094 -0.235 0.000 1.048 316 V CA 1.465 63.340 62.300 -0.708 0.000 1.049 316 V CB -0.992 30.414 31.823 -0.694 0.000 0.672 316 V HN 0.060 nan 8.190 nan 0.000 0.457 317 F N 1.031 120.829 119.950 -0.254 0.000 2.186 317 F HA -0.010 4.517 4.527 0.000 0.000 0.299 317 F C 2.449 178.231 175.800 -0.031 0.000 1.090 317 F CA 0.837 58.769 58.000 -0.112 0.000 1.307 317 F CB -1.465 37.502 39.000 -0.055 0.000 1.019 317 F HN 0.150 nan 8.300 nan 0.000 0.489 318 A N 0.085 122.985 122.820 0.133 0.000 1.968 318 A HA 0.100 4.420 4.320 -0.000 0.000 0.217 318 A C 2.568 180.187 177.584 0.059 0.000 1.169 318 A CA 1.414 53.528 52.037 0.129 0.000 0.638 318 A CB -1.387 17.659 19.000 0.076 0.000 0.812 318 A HN 0.370 nan 8.150 nan 0.000 0.446 319 G N -0.246 108.454 108.800 -0.167 0.000 2.464 319 G HA2 -0.105 3.855 3.960 -0.000 0.000 0.214 319 G HA3 -0.105 3.855 3.960 -0.000 0.000 0.214 319 G C 1.516 176.595 174.900 0.299 0.000 1.218 319 G CA 1.199 46.173 45.100 -0.210 0.000 0.794 319 G HN 0.254 nan 8.290 nan 0.000 0.542 320 V N 0.459 120.557 119.914 0.305 0.000 2.278 320 V HA -0.217 3.903 4.120 -0.000 0.000 0.251 320 V C 2.417 178.692 176.094 0.302 0.000 1.062 320 V CA 2.113 64.597 62.300 0.307 0.000 1.038 320 V CB -0.616 31.322 31.823 0.191 0.000 0.646 320 V HN 0.351 nan 8.190 nan 0.000 0.447 321 F N 1.278 121.296 119.950 0.113 0.000 2.234 321 F HA -0.121 4.406 4.527 0.000 0.000 0.299 321 F C 2.107 178.001 175.800 0.157 0.000 1.087 321 F CA 1.799 59.860 58.000 0.103 0.000 1.340 321 F CB -0.449 38.567 39.000 0.027 0.000 1.031 321 F HN 0.199 nan 8.300 nan 0.000 0.500 322 N N -0.746 117.980 118.700 0.042 0.000 2.270 322 N HA -0.126 4.614 4.740 -0.000 0.000 0.181 322 N C 1.757 177.142 175.510 -0.209 0.000 1.016 322 N CA 1.728 54.671 53.050 -0.178 0.000 0.870 322 N CB -0.315 37.991 38.487 -0.302 0.000 0.979 322 N HN 0.179 nan 8.380 nan 0.000 0.431 323 T N -0.115 114.445 114.554 0.010 0.000 2.708 323 T HA -0.102 4.248 4.350 -0.000 0.000 0.266 323 T C 1.474 176.187 174.700 0.021 0.000 1.037 323 T CA 1.036 63.175 62.100 0.065 0.000 1.146 323 T CB -0.494 68.507 68.868 0.223 0.000 0.865 323 T HN 0.272 nan 8.240 nan 0.000 0.435 324 F N 1.857 121.766 119.950 -0.068 0.000 2.025 324 F HA -0.150 4.377 4.527 0.000 0.000 0.297 324 F C 2.037 177.742 175.800 -0.158 0.000 1.132 324 F CA 1.445 59.398 58.000 -0.079 0.000 1.191 324 F CB -0.664 38.297 39.000 -0.064 0.000 0.963 324 F HN 0.036 nan 8.300 nan 0.000 0.481 325 L N 0.067 121.201 121.223 -0.149 0.000 1.990 325 L HA -0.294 4.046 4.340 -0.000 0.000 0.213 325 L C 2.761 179.519 176.870 -0.186 0.000 1.072 325 L CA 1.952 56.652 54.840 -0.233 0.000 0.755 325 L CB -0.749 41.131 42.059 -0.299 0.000 0.889 325 L HN 0.169 nan 8.230 nan 0.000 0.432 326 R N -1.049 119.356 120.500 -0.158 0.000 2.096 326 R HA -0.189 4.151 4.340 -0.000 0.000 0.235 326 R C 2.430 178.698 176.300 -0.054 0.000 1.127 326 R CA 1.579 57.622 56.100 -0.095 0.000 0.968 326 R CB -0.806 29.413 30.300 -0.136 0.000 0.861 326 R HN 0.482 nan 8.270 nan 0.000 0.440 327 C N 0.821 120.058 119.300 -0.105 0.000 2.422 327 C HA -0.008 4.452 4.460 -0.000 0.000 0.279 327 C C 2.139 177.182 174.990 0.090 0.000 1.305 327 C CA 0.595 59.605 59.018 -0.013 0.000 1.757 327 C CB -0.806 26.908 27.740 -0.044 0.000 1.962 327 C HN 0.414 nan 8.230 nan 0.000 0.499 328 L N 0.167 121.374 121.223 -0.027 0.000 2.592 328 L HA 0.266 4.606 4.340 -0.000 0.000 0.227 328 L C 1.875 178.922 176.870 0.295 0.000 1.127 328 L CA 0.990 55.881 54.840 0.086 0.000 0.884 328 L CB -0.639 41.428 42.059 0.014 0.000 1.065 328 L HN 0.562 nan 8.230 nan 0.000 0.457 329 G N 1.050 109.981 108.800 0.219 0.000 2.144 329 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.218 329 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.218 329 G C 0.091 175.063 174.900 0.119 0.000 0.988 329 G CA -0.461 44.804 45.100 0.275 0.000 0.659 329 G HN 0.249 nan 8.290 nan 0.000 0.522 330 I N 1.600 122.135 120.570 -0.057 0.000 2.315 330 I HA 0.276 4.446 4.170 -0.000 0.000 0.291 330 I C -2.106 173.969 176.117 -0.071 0.000 1.006 330 I CA -2.376 58.817 61.300 -0.178 0.000 1.265 330 I CB 1.648 39.467 38.000 -0.303 0.000 1.387 330 I HN -0.171 nan 8.210 nan 0.000 0.475 331 P HA 0.099 nan 4.420 nan 0.000 0.262 331 P C -0.866 176.476 177.300 0.070 0.000 1.199 331 P CA 0.235 63.330 63.100 -0.009 0.000 0.763 331 P CB 0.645 32.258 31.700 -0.144 0.000 0.790 332 A N 4.144 127.051 122.820 0.145 0.000 2.549 332 A HA 0.839 5.159 4.320 -0.000 0.000 0.297 332 A C -0.842 176.828 177.584 0.143 0.000 1.061 332 A CA -0.732 51.422 52.037 0.196 0.000 0.690 332 A CB 1.735 20.748 19.000 0.022 0.000 1.287 332 A HN 0.604 nan 8.150 nan 0.000 0.402 333 R N 1.128 121.682 120.500 0.091 0.000 2.668 333 R HA 0.770 5.110 4.340 -0.000 0.000 0.272 333 R C -1.463 174.819 176.300 -0.029 0.000 1.019 333 R CA -0.741 55.349 56.100 -0.016 0.000 0.894 333 R CB 1.138 31.343 30.300 -0.158 0.000 1.228 333 R HN 0.505 nan 8.270 nan 0.000 0.460 334 I N 1.923 122.503 120.570 0.015 0.000 2.581 334 I HA 0.359 4.529 4.170 -0.000 0.000 0.288 334 I C -0.315 175.749 176.117 -0.089 0.000 1.047 334 I CA -1.045 60.257 61.300 0.003 0.000 1.374 334 I CB 1.720 39.753 38.000 0.055 0.000 1.423 334 I HN 0.304 nan 8.210 nan 0.000 0.549 335 V N 3.743 123.522 119.914 -0.225 0.000 2.841 335 V HA 0.393 4.513 4.120 -0.000 0.000 0.310 335 V C -0.379 175.390 176.094 -0.541 0.000 1.090 335 V CA -0.518 61.542 62.300 -0.399 0.000 0.930 335 V CB 2.386 33.861 31.823 -0.580 0.000 1.014 335 V HN 0.761 nan 8.190 nan 0.000 0.425 336 T N 3.273 117.548 114.554 -0.466 0.000 2.792 336 T HA 0.401 4.751 4.350 -0.000 0.000 0.280 336 T C -0.464 173.851 174.700 -0.641 0.000 0.990 336 T CA -0.466 61.335 62.100 -0.498 0.000 0.960 336 T CB 1.164 69.830 68.868 -0.336 0.000 0.939 336 T HN 0.613 nan 8.240 nan 0.000 0.439 337 N N 1.711 120.006 118.700 -0.675 0.000 2.421 337 N HA 0.324 5.064 4.740 -0.000 0.000 0.285 337 N C -1.648 173.634 175.510 -0.379 0.000 1.027 337 N CA -0.580 52.175 53.050 -0.493 0.000 0.918 337 N CB 0.483 38.730 38.487 -0.399 0.000 1.152 337 N HN 0.453 nan 8.380 nan 0.000 0.485 338 Y N 3.475 123.707 120.300 -0.113 0.000 2.326 338 Y HA 0.393 4.944 4.550 0.000 0.000 0.337 338 Y C -0.275 175.576 175.900 -0.082 0.000 1.023 338 Y CA -0.317 57.688 58.100 -0.159 0.000 1.143 338 Y CB 0.396 38.694 38.460 -0.269 0.000 1.183 338 Y HN 0.398 nan 8.280 nan 0.000 0.485 339 F N 1.206 121.280 119.950 0.207 0.000 2.448 339 F HA -0.234 4.293 4.527 -0.000 0.000 0.366 339 F C 0.189 176.070 175.800 0.136 0.000 1.110 339 F CA -0.088 57.988 58.000 0.127 0.000 1.228 339 F CB -1.531 37.392 39.000 -0.127 0.000 1.732 339 F HN 0.351 nan 8.300 nan 0.000 0.795 340 S N 1.225 117.127 115.700 0.337 0.000 2.442 340 S HA 0.784 5.254 4.470 -0.000 0.000 0.297 340 S C 0.319 175.003 174.600 0.140 0.000 1.131 340 S CA -0.009 58.317 58.200 0.210 0.000 1.092 340 S CB 1.230 64.531 63.200 0.167 0.000 0.998 340 S HN 0.715 nan 8.310 nan 0.000 0.478 341 A N 4.057 126.932 122.820 0.093 0.000 3.078 341 A HA 0.285 4.605 4.320 -0.000 0.000 0.279 341 A C -0.126 177.441 177.584 -0.029 0.000 1.594 341 A CA -0.210 51.863 52.037 0.060 0.000 1.301 341 A CB -0.627 18.411 19.000 0.063 0.000 1.162 341 A HN 0.872 nan 8.150 nan 0.000 0.585 342 H N 1.262 120.119 119.070 -0.355 0.000 2.652 342 H HA 0.251 4.807 4.556 0.000 0.000 0.349 342 H C 0.141 175.341 175.328 -0.213 0.000 1.099 342 H CA 0.393 56.127 56.048 -0.525 0.000 1.417 342 H CB 0.417 29.394 29.762 -1.307 0.000 1.457 342 H HN 0.711 nan 8.280 nan 0.000 0.568 343 D N 2.244 122.376 120.400 -0.448 0.000 3.082 343 D HA -0.216 4.424 4.640 -0.000 0.000 0.216 343 D C 0.728 176.974 176.300 -0.090 0.000 1.114 343 D CA 0.877 54.706 54.000 -0.287 0.000 0.886 343 D CB -1.516 39.140 40.800 -0.240 0.000 1.096 343 D HN 0.799 nan 8.370 nan 0.000 0.431 344 N N 1.245 119.920 118.700 -0.042 0.000 2.289 344 N HA -0.168 4.572 4.740 -0.000 0.000 0.184 344 N C 0.816 176.330 175.510 0.006 0.000 1.016 344 N CA 1.464 54.510 53.050 -0.008 0.000 0.872 344 N CB -0.014 38.473 38.487 -0.001 0.000 0.973 344 N HN 0.207 nan 8.380 nan 0.000 0.433 345 D N -1.111 119.344 120.400 0.091 0.000 2.837 345 D HA -0.285 4.355 4.640 -0.000 0.000 0.230 345 D C 0.510 176.759 176.300 -0.085 0.000 1.152 345 D CA 1.189 55.282 54.000 0.154 0.000 0.736 345 D CB -1.478 39.376 40.800 0.089 0.000 1.084 345 D HN 0.785 nan 8.370 nan 0.000 0.429 346 A N -1.507 121.119 122.820 -0.323 0.000 3.396 346 A HA -0.315 4.005 4.320 -0.000 0.000 0.267 346 A C 0.410 177.897 177.584 -0.163 0.000 1.139 346 A CA 1.180 52.976 52.037 -0.402 0.000 1.115 346 A CB -1.646 17.039 19.000 -0.524 0.000 1.133 346 A HN 0.491 nan 8.150 nan 0.000 0.920 347 N N 0.425 119.073 118.700 -0.086 0.000 2.411 347 N HA 0.449 5.189 4.740 -0.000 0.000 0.259 347 N C 0.635 176.137 175.510 -0.014 0.000 1.103 347 N CA -0.026 52.999 53.050 -0.042 0.000 0.954 347 N CB 0.766 39.236 38.487 -0.028 0.000 1.085 347 N HN 0.509 nan 8.380 nan 0.000 0.485 348 L N 1.842 123.068 121.223 0.005 0.000 2.718 348 L HA 0.090 4.430 4.340 -0.000 0.000 0.242 348 L C 0.253 177.130 176.870 0.011 0.000 1.203 348 L CA 0.405 55.267 54.840 0.036 0.000 1.011 348 L CB -0.501 41.604 42.059 0.076 0.000 1.250 348 L HN 0.323 nan 8.230 nan 0.000 0.437 349 Q N 0.398 120.191 119.800 -0.013 0.000 2.377 349 Q HA 0.562 4.902 4.340 -0.000 0.000 0.279 349 Q C -1.306 174.657 176.000 -0.062 0.000 1.049 349 Q CA -0.652 55.127 55.803 -0.040 0.000 0.825 349 Q CB 3.199 31.909 28.738 -0.047 0.000 1.401 349 Q HN 0.011 nan 8.270 nan 0.000 0.404 350 M N 1.865 121.404 119.600 -0.101 0.000 2.253 350 M HA 0.345 4.825 4.480 -0.000 0.000 0.314 350 M C -1.790 174.367 176.300 -0.238 0.000 1.019 350 M CA -0.318 54.905 55.300 -0.128 0.000 0.932 350 M CB 1.511 34.050 32.600 -0.103 0.000 1.606 350 M HN 0.401 nan 8.290 nan 0.000 0.430 351 D N 5.468 125.702 120.400 -0.277 0.000 2.232 351 D HA 0.392 5.032 4.640 -0.000 0.000 0.242 351 D C -0.636 175.276 176.300 -0.647 0.000 1.093 351 D CA 0.096 53.778 54.000 -0.530 0.000 0.845 351 D CB 1.128 41.553 40.800 -0.625 0.000 1.124 351 D HN 0.395 nan 8.370 nan 0.000 0.467 352 I N 2.615 122.768 120.570 -0.695 0.000 2.389 352 I HA 0.334 4.504 4.170 -0.000 0.000 0.288 352 I C -0.329 175.475 176.117 -0.521 0.000 0.999 352 I CA -0.703 60.317 61.300 -0.467 0.000 1.129 352 I CB 0.487 38.311 38.000 -0.294 0.000 1.288 352 I HN 0.087 nan 8.210 nan 0.000 0.444 353 F N 5.744 125.650 119.950 -0.074 0.000 2.421 353 F HA 0.537 5.064 4.527 0.000 0.000 0.337 353 F C 0.083 175.845 175.800 -0.063 0.000 1.105 353 F CA -0.725 57.240 58.000 -0.058 0.000 1.049 353 F CB 1.313 40.265 39.000 -0.080 0.000 1.139 353 F HN 0.098 nan 8.300 nan 0.000 0.479 354 L N 2.642 123.947 121.223 0.136 0.000 2.334 354 L HA 0.448 4.788 4.340 -0.000 0.000 0.273 354 L C 0.219 177.106 176.870 0.028 0.000 1.013 354 L CA -0.949 53.911 54.840 0.033 0.000 0.816 354 L CB 1.313 43.386 42.059 0.024 0.000 1.278 354 L HN 0.546 nan 8.230 nan 0.000 0.431 355 E N 1.256 121.428 120.200 -0.047 0.000 2.369 355 E HA 0.092 4.442 4.350 -0.000 0.000 0.255 355 E C 0.848 177.421 176.600 -0.044 0.000 1.172 355 E CA -0.373 55.995 56.400 -0.054 0.000 0.932 355 E CB 1.142 30.776 29.700 -0.110 0.000 1.040 355 E HN 0.436 nan 8.360 nan 0.000 0.454 356 E N 0.785 120.967 120.200 -0.030 0.000 2.118 356 E HA -0.212 4.138 4.350 -0.000 0.000 0.195 356 E C 0.402 176.990 176.600 -0.020 0.000 0.992 356 E CA 1.517 57.908 56.400 -0.015 0.000 0.804 356 E CB -0.108 29.586 29.700 -0.010 0.000 0.741 356 E HN 0.469 nan 8.360 nan 0.000 0.458 357 D N -1.014 119.356 120.400 -0.049 0.000 2.676 357 D HA 0.183 4.823 4.640 -0.000 0.000 0.239 357 D C 1.053 177.291 176.300 -0.104 0.000 1.213 357 D CA 0.524 54.504 54.000 -0.033 0.000 0.835 357 D CB 0.211 41.000 40.800 -0.018 0.000 1.009 357 D HN 0.180 nan 8.370 nan 0.000 0.479 358 G N 0.260 109.009 108.800 -0.085 0.000 2.435 358 G HA2 -0.410 3.550 3.960 -0.000 0.000 0.245 358 G HA3 -0.410 3.550 3.960 -0.000 0.000 0.245 358 G C 0.443 175.191 174.900 -0.254 0.000 1.073 358 G CA 0.131 45.176 45.100 -0.091 0.000 0.638 358 G HN 0.546 nan 8.290 nan 0.000 0.521 359 N N -0.370 118.004 118.700 -0.543 0.000 2.267 359 N HA 0.322 5.062 4.740 -0.000 0.000 0.226 359 N C 0.041 175.396 175.510 -0.258 0.000 1.314 359 N CA 0.511 53.264 53.050 -0.494 0.000 0.887 359 N CB 1.019 39.192 38.487 -0.523 0.000 1.120 359 N HN 0.308 nan 8.380 nan 0.000 0.440 360 V N 2.049 121.809 119.914 -0.257 0.000 2.432 360 V HA 0.114 4.234 4.120 -0.000 0.000 0.275 360 V C -0.303 175.673 176.094 -0.197 0.000 1.043 360 V CA -0.644 61.493 62.300 -0.272 0.000 0.925 360 V CB 0.980 32.448 31.823 -0.592 0.000 0.985 360 V HN 0.614 nan 8.190 nan 0.000 0.466 361 N N 4.850 123.491 118.700 -0.100 0.000 2.406 361 N HA 0.065 4.805 4.740 -0.000 0.000 0.269 361 N C 1.229 176.710 175.510 -0.048 0.000 1.210 361 N CA 0.684 53.705 53.050 -0.048 0.000 0.966 361 N CB 0.927 39.430 38.487 0.026 0.000 1.293 361 N HN 0.753 nan 8.380 nan 0.000 0.491 362 S N 2.981 118.640 115.700 -0.068 0.000 2.420 362 S HA -0.156 4.314 4.470 -0.000 0.000 0.237 362 S C 1.414 176.002 174.600 -0.019 0.000 1.023 362 S CA 1.328 59.501 58.200 -0.046 0.000 0.991 362 S CB 0.152 63.330 63.200 -0.036 0.000 0.792 362 S HN 0.561 nan 8.310 nan 0.000 0.488 363 K N 0.917 121.301 120.400 -0.025 0.000 2.166 363 K HA 0.284 4.604 4.320 -0.000 0.000 0.201 363 K C 1.671 178.250 176.600 -0.034 0.000 1.052 363 K CA 0.448 56.719 56.287 -0.028 0.000 0.969 363 K CB -0.149 32.327 32.500 -0.041 0.000 0.761 363 K HN 0.241 nan 8.250 nan 0.000 0.459 364 L N 0.686 121.880 121.223 -0.048 0.000 2.395 364 L HA 0.023 4.363 4.340 -0.000 0.000 0.218 364 L C 0.080 177.062 176.870 0.186 0.000 1.130 364 L CA 0.541 55.310 54.840 -0.118 0.000 0.826 364 L CB -0.147 41.612 42.059 -0.499 0.000 0.941 364 L HN 0.009 nan 8.230 nan 0.000 0.451 365 T N 1.013 115.696 114.554 0.214 0.000 2.875 365 T HA 0.168 4.518 4.350 -0.000 0.000 0.307 365 T C 0.890 175.645 174.700 0.092 0.000 1.013 365 T CA -0.345 61.871 62.100 0.194 0.000 0.970 365 T CB 0.635 69.550 68.868 0.079 0.000 0.986 365 T HN -0.015 nan 8.240 nan 0.000 0.536 366 K N 1.274 121.727 120.400 0.089 0.000 2.374 366 K HA 0.191 4.511 4.320 -0.000 0.000 0.202 366 K C -0.176 176.441 176.600 0.027 0.000 1.040 366 K CA -0.105 56.207 56.287 0.041 0.000 1.085 366 K CB 0.714 33.228 32.500 0.024 0.000 0.873 366 K HN 0.440 nan 8.250 nan 0.000 0.539 367 D N 1.511 121.933 120.400 0.036 0.000 2.177 367 D HA 0.214 4.854 4.640 -0.000 0.000 0.247 367 D C -0.109 176.209 176.300 0.029 0.000 1.063 367 D CA 0.041 54.055 54.000 0.023 0.000 0.867 367 D CB 1.674 42.478 40.800 0.008 0.000 1.168 367 D HN -0.022 nan 8.370 nan 0.000 0.445 368 S N -0.143 115.585 115.700 0.047 0.000 2.541 368 S HA 0.510 4.980 4.470 -0.000 0.000 0.280 368 S C -0.568 174.128 174.600 0.161 0.000 1.112 368 S CA -0.922 57.313 58.200 0.057 0.000 0.925 368 S CB 1.620 64.815 63.200 -0.008 0.000 1.067 368 S HN 0.151 nan 8.310 nan 0.000 0.479 369 V N 2.588 122.607 119.914 0.175 0.000 2.465 369 V HA 0.338 4.458 4.120 -0.000 0.000 0.279 369 V C -0.798 175.536 176.094 0.401 0.000 1.045 369 V CA -0.423 62.070 62.300 0.322 0.000 0.938 369 V CB 0.539 32.559 31.823 0.329 0.000 0.986 369 V HN 0.898 nan 8.190 nan 0.000 0.467 370 W N 4.570 125.940 121.300 0.117 0.000 2.238 370 W HA 0.333 4.993 4.660 -0.000 0.000 0.321 370 W C 1.403 178.036 176.519 0.190 0.000 1.293 370 W CA -0.708 56.675 57.345 0.063 0.000 1.204 370 W CB -0.069 29.384 29.460 -0.010 0.000 1.167 370 W HN 0.546 nan 8.180 nan 0.000 0.553 371 N N 1.350 120.270 118.700 0.367 0.000 2.137 371 N HA -0.179 4.561 4.740 -0.000 0.000 0.190 371 N C -0.278 175.425 175.510 0.321 0.000 1.017 371 N CA 1.517 54.771 53.050 0.340 0.000 0.859 371 N CB -0.326 38.415 38.487 0.423 0.000 1.002 371 N HN 0.535 nan 8.380 nan 0.000 0.428 372 Y N -3.251 117.226 120.300 0.296 0.000 2.604 372 Y HA 0.578 5.128 4.550 0.000 0.000 0.331 372 Y C -1.403 174.755 175.900 0.429 0.000 1.158 372 Y CA -1.462 56.672 58.100 0.057 0.000 1.056 372 Y CB 0.741 39.051 38.460 -0.250 0.000 1.330 372 Y HN 0.010 nan 8.280 nan 0.000 0.457 373 H N 1.323 120.448 119.070 0.092 0.000 3.083 373 H HA 0.705 5.261 4.556 0.000 0.000 0.339 373 H C -1.628 173.730 175.328 0.051 0.000 1.020 373 H CA -1.014 55.120 56.048 0.144 0.000 1.360 373 H CB 1.210 30.949 29.762 -0.038 0.000 1.811 373 H HN 1.136 nan 8.280 nan 0.000 0.493 374 C N 3.992 123.112 119.300 -0.300 0.000 2.335 374 C HA 0.796 5.256 4.460 -0.000 0.000 0.363 374 C C -0.520 174.296 174.990 -0.290 0.000 1.198 374 C CA -0.419 58.403 59.018 -0.326 0.000 2.279 374 C CB -0.738 26.963 27.740 -0.065 0.000 2.334 374 C HN 0.934 nan 8.230 nan 0.000 0.559 375 W N 0.072 121.232 121.300 -0.233 0.000 2.923 375 W HA 0.606 5.266 4.660 0.000 0.000 0.373 375 W C -1.600 174.920 176.519 0.001 0.000 1.205 375 W CA -0.739 56.533 57.345 -0.122 0.000 1.180 375 W CB -0.030 29.365 29.460 -0.109 0.000 1.477 375 W HN 0.505 nan 8.180 nan 0.000 0.581 376 N N 0.383 119.374 118.700 0.485 0.000 2.459 376 N HA 0.549 5.289 4.740 -0.000 0.000 0.288 376 N C -1.393 174.375 175.510 0.429 0.000 1.186 376 N CA -0.886 52.389 53.050 0.374 0.000 0.917 376 N CB 1.502 40.255 38.487 0.443 0.000 1.219 376 N HN 0.420 nan 8.380 nan 0.000 0.525 377 E N 0.012 120.392 120.200 0.299 0.000 2.263 377 E HA 0.650 5.000 4.350 -0.000 0.000 0.268 377 E C -1.466 175.444 176.600 0.516 0.000 0.884 377 E CA -0.887 55.728 56.400 0.359 0.000 0.766 377 E CB 2.069 31.808 29.700 0.065 0.000 1.196 377 E HN 0.564 nan 8.360 nan 0.000 0.416 378 A N 3.353 126.481 122.820 0.513 0.000 2.371 378 A HA 0.414 4.734 4.320 -0.000 0.000 0.311 378 A C -1.405 176.277 177.584 0.163 0.000 1.068 378 A CA -0.690 51.543 52.037 0.326 0.000 0.744 378 A CB 1.131 20.234 19.000 0.171 0.000 1.239 378 A HN 0.696 nan 8.150 nan 0.000 0.435 379 W N 5.452 126.530 121.300 -0.371 0.000 2.316 379 W HA 0.601 5.261 4.660 0.000 0.000 0.311 379 W C -0.778 175.527 176.519 -0.357 0.000 1.217 379 W CA -0.067 56.889 57.345 -0.648 0.000 1.199 379 W CB 1.165 29.996 29.460 -1.049 0.000 1.202 379 W HN 0.904 nan 8.180 nan 0.000 0.528 380 M N 3.959 123.093 119.600 -0.777 0.000 3.069 380 M HA 0.292 4.772 4.480 -0.000 0.000 0.274 380 M C -1.027 174.951 176.300 -0.537 0.000 1.146 380 M CA -0.635 54.374 55.300 -0.484 0.000 0.807 380 M CB 1.478 33.934 32.600 -0.239 0.000 1.621 380 M HN 0.260 nan 8.290 nan 0.000 0.521 381 T N -0.642 113.728 114.554 -0.306 0.000 2.862 381 T HA 0.692 5.042 4.350 -0.000 0.000 0.276 381 T C -0.070 174.534 174.700 -0.161 0.000 0.974 381 T CA -0.755 61.198 62.100 -0.245 0.000 0.966 381 T CB 1.072 69.859 68.868 -0.135 0.000 1.072 381 T HN 0.715 nan 8.240 nan 0.000 0.538 382 R N 1.209 121.634 120.500 -0.126 0.000 2.644 382 R HA 0.280 4.620 4.340 -0.000 0.000 0.271 382 R C -2.422 173.832 176.300 -0.078 0.000 1.687 382 R CA -1.876 54.173 56.100 -0.084 0.000 1.655 382 R CB 0.670 30.919 30.300 -0.084 0.000 1.285 382 R HN 0.528 nan 8.270 nan 0.000 0.643 383 P HA -0.147 nan 4.420 nan 0.000 0.223 383 P C 0.690 177.958 177.300 -0.054 0.000 1.144 383 P CA 1.156 64.228 63.100 -0.045 0.000 0.783 383 P CB 0.337 32.026 31.700 -0.018 0.000 0.771 384 D N -1.759 118.604 120.400 -0.062 0.000 2.348 384 D HA -0.016 4.624 4.640 -0.000 0.000 0.211 384 D C 0.658 176.859 176.300 -0.164 0.000 0.998 384 D CA 0.487 54.437 54.000 -0.083 0.000 0.873 384 D CB -0.334 40.435 40.800 -0.052 0.000 0.925 384 D HN 0.185 nan 8.370 nan 0.000 0.524 385 L N -0.181 120.914 121.223 -0.213 0.000 2.304 385 L HA 0.495 4.835 4.340 -0.000 0.000 0.268 385 L C -2.195 174.515 176.870 -0.267 0.000 1.010 385 L CA -2.346 52.259 54.840 -0.392 0.000 0.813 385 L CB 1.254 43.018 42.059 -0.492 0.000 1.315 385 L HN -0.316 nan 8.230 nan 0.000 0.445 386 P HA 0.017 nan 4.420 nan 0.000 0.274 386 P C -0.628 176.618 177.300 -0.091 0.000 1.260 386 P CA -0.399 62.618 63.100 -0.138 0.000 0.793 386 P CB 0.557 32.201 31.700 -0.093 0.000 1.048 387 V N 0.621 120.460 119.914 -0.124 0.000 2.763 387 V HA 0.306 4.426 4.120 -0.000 0.000 0.306 387 V C 1.312 177.222 176.094 -0.306 0.000 1.059 387 V CA 1.866 64.068 62.300 -0.162 0.000 1.138 387 V CB -0.324 31.425 31.823 -0.124 0.000 0.940 387 V HN 0.946 nan 8.190 nan 0.000 0.489 388 G N 4.954 113.575 108.800 -0.298 0.000 2.194 388 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.236 388 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.236 388 G C 0.145 174.736 174.900 -0.516 0.000 0.987 388 G CA 0.436 45.284 45.100 -0.419 0.000 0.635 388 G HN 0.818 nan 8.290 nan 0.000 0.520 389 F N 2.493 122.319 119.950 -0.207 0.000 2.645 389 F HA 0.492 5.019 4.527 0.000 0.000 0.300 389 F C 1.933 177.600 175.800 -0.221 0.000 1.115 389 F CA -0.152 57.722 58.000 -0.209 0.000 1.355 389 F CB 0.191 39.036 39.000 -0.257 0.000 1.026 389 F HN 0.338 nan 8.300 nan 0.000 0.536 390 G N -0.459 108.258 108.800 -0.138 0.000 2.485 390 G HA2 0.485 4.445 3.960 -0.000 0.000 0.260 390 G HA3 0.485 4.445 3.960 -0.000 0.000 0.260 390 G C 0.694 175.333 174.900 -0.435 0.000 1.459 390 G CA 0.189 45.120 45.100 -0.282 0.000 1.060 390 G HN 0.604 nan 8.290 nan 0.000 0.546 391 G N -1.649 106.596 108.800 -0.925 0.000 2.488 391 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.237 391 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.237 391 G C -0.202 174.129 174.900 -0.948 0.000 1.209 391 G CA -0.007 44.241 45.100 -1.419 0.000 0.929 391 G HN 0.790 nan 8.290 nan 0.000 0.578 392 W N 1.824 122.982 121.300 -0.237 0.000 2.190 392 W HA 0.586 5.245 4.660 -0.000 0.000 0.330 392 W C 0.592 177.077 176.519 -0.057 0.000 1.299 392 W CA -0.075 57.257 57.345 -0.022 0.000 1.215 392 W CB 0.745 30.254 29.460 0.081 0.000 1.147 392 W HN 0.421 nan 8.180 nan 0.000 0.563 393 Q N 2.234 122.205 119.800 0.285 0.000 2.337 393 Q HA 0.559 4.899 4.340 -0.000 0.000 0.270 393 Q C -0.551 175.610 176.000 0.268 0.000 1.043 393 Q CA -0.905 55.013 55.803 0.191 0.000 0.794 393 Q CB 1.836 30.645 28.738 0.117 0.000 1.281 393 Q HN 0.536 nan 8.270 nan 0.000 0.446 394 A N 2.022 124.984 122.820 0.236 0.000 2.362 394 A HA 0.578 4.898 4.320 -0.000 0.000 0.276 394 A C -0.350 177.329 177.584 0.157 0.000 1.153 394 A CA -0.381 51.827 52.037 0.284 0.000 0.813 394 A CB 0.514 19.687 19.000 0.289 0.000 1.081 394 A HN 0.415 nan 8.150 nan 0.000 0.507 395 V N 3.910 123.934 119.914 0.183 0.000 2.462 395 V HA 0.251 4.371 4.120 -0.000 0.000 0.288 395 V C -1.042 175.073 176.094 0.034 0.000 1.020 395 V CA -0.633 61.721 62.300 0.090 0.000 0.857 395 V CB 1.644 33.588 31.823 0.202 0.000 1.013 395 V HN 0.951 nan 8.190 nan 0.000 0.431 396 D N 2.850 123.193 120.400 -0.095 0.000 2.280 396 D HA 0.343 4.983 4.640 -0.000 0.000 0.236 396 D C 0.988 177.252 176.300 -0.061 0.000 1.082 396 D CA -0.159 53.806 54.000 -0.059 0.000 0.834 396 D CB 2.088 42.782 40.800 -0.177 0.000 1.100 396 D HN 0.516 nan 8.370 nan 0.000 0.486 397 S N 1.160 116.839 115.700 -0.036 0.000 2.556 397 S HA 0.076 4.546 4.470 -0.000 0.000 0.216 397 S C 0.533 175.161 174.600 0.047 0.000 0.970 397 S CA -0.416 57.707 58.200 -0.128 0.000 0.912 397 S CB -0.061 62.954 63.200 -0.308 0.000 0.790 397 S HN 0.353 nan 8.310 nan 0.000 0.504 398 T N 6.031 120.720 114.554 0.226 0.000 2.747 398 T HA 0.351 4.701 4.350 -0.000 0.000 0.301 398 T C -2.456 172.405 174.700 0.269 0.000 0.952 398 T CA -1.404 60.937 62.100 0.401 0.000 0.983 398 T CB 0.925 70.098 68.868 0.508 0.000 0.930 398 T HN 0.255 nan 8.240 nan 0.000 0.494 399 P HA 0.029 nan 4.420 nan 0.000 0.270 399 P C -0.600 176.717 177.300 0.029 0.000 1.221 399 P CA -0.045 63.095 63.100 0.067 0.000 0.788 399 P CB 0.609 32.300 31.700 -0.014 0.000 0.904 400 Q N -1.698 118.038 119.800 -0.107 0.000 2.848 400 Q HA 0.258 4.598 4.340 -0.000 0.000 0.288 400 Q C -1.327 174.537 176.000 -0.226 0.000 0.907 400 Q CA -0.958 54.701 55.803 -0.240 0.000 0.792 400 Q CB 0.504 28.989 28.738 -0.421 0.000 1.534 400 Q HN 0.246 nan 8.270 nan 0.000 0.419 401 E N 2.350 122.424 120.200 -0.210 0.000 2.159 401 E HA 0.095 4.445 4.350 -0.000 0.000 0.272 401 E C -0.633 175.718 176.600 -0.416 0.000 1.138 401 E CA 0.355 56.633 56.400 -0.203 0.000 0.915 401 E CB 0.374 30.015 29.700 -0.099 0.000 1.028 401 E HN 0.579 nan 8.360 nan 0.000 0.423 402 N N 0.290 118.620 118.700 -0.616 0.000 2.992 402 N HA 0.174 4.914 4.740 -0.000 0.000 0.338 402 N C 0.842 176.071 175.510 -0.468 0.000 1.376 402 N CA -0.699 51.547 53.050 -1.340 0.000 0.778 402 N CB -0.114 37.666 38.487 -1.179 0.000 1.232 402 N HN -0.010 nan 8.380 nan 0.000 0.581 403 S N -0.593 114.956 115.700 -0.252 0.000 2.356 403 S HA -0.124 4.346 4.470 -0.000 0.000 0.223 403 S C 0.648 175.229 174.600 -0.031 0.000 1.032 403 S CA 1.574 59.759 58.200 -0.025 0.000 1.005 403 S CB -0.636 62.587 63.200 0.038 0.000 0.867 403 S HN 0.572 nan 8.310 nan 0.000 0.449 404 D N 0.583 120.953 120.400 -0.051 0.000 2.312 404 D HA 0.219 4.859 4.640 -0.000 0.000 0.211 404 D C 1.038 177.403 176.300 0.108 0.000 0.964 404 D CA 0.903 54.898 54.000 -0.009 0.000 0.877 404 D CB -0.390 40.331 40.800 -0.132 0.000 0.924 404 D HN 0.459 nan 8.370 nan 0.000 0.515 405 G N 1.142 109.973 108.800 0.053 0.000 2.846 405 G HA2 -0.110 3.850 3.960 -0.000 0.000 0.254 405 G HA3 -0.110 3.850 3.960 -0.000 0.000 0.254 405 G C 0.075 174.959 174.900 -0.026 0.000 1.017 405 G CA -0.053 45.058 45.100 0.018 0.000 1.188 405 G HN 0.243 nan 8.290 nan 0.000 0.518 406 M N -0.358 119.177 119.600 -0.109 0.000 2.934 406 M HA -0.078 4.402 4.480 -0.000 0.000 0.189 406 M C -0.943 175.111 176.300 -0.411 0.000 1.063 406 M CA 0.404 55.560 55.300 -0.241 0.000 0.723 406 M CB -1.928 30.511 32.600 -0.269 0.000 1.504 406 M HN 1.300 nan 8.290 nan 0.000 0.768 407 Y N -1.028 119.180 120.300 -0.152 0.000 2.728 407 Y HA 0.803 5.353 4.550 -0.001 0.000 0.330 407 Y C 0.587 176.398 175.900 -0.148 0.000 1.234 407 Y CA -0.904 57.110 58.100 -0.143 0.000 1.070 407 Y CB 0.845 39.214 38.460 -0.152 0.000 1.300 407 Y HN 0.477 nan 8.280 nan 0.000 0.467 408 R N 0.016 120.548 120.500 0.053 0.000 2.919 408 R HA 0.548 4.888 4.340 -0.000 0.000 0.284 408 R C -1.148 175.112 176.300 -0.067 0.000 1.104 408 R CA -0.426 55.646 56.100 -0.047 0.000 1.207 408 R CB -0.455 29.762 30.300 -0.138 0.000 1.162 408 R HN 0.493 nan 8.270 nan 0.000 0.561 409 C N -0.815 118.434 119.300 -0.084 0.000 2.797 409 C HA 0.934 5.394 4.460 -0.000 0.000 0.306 409 C C 0.324 175.286 174.990 -0.048 0.000 1.207 409 C CA 0.320 59.299 59.018 -0.066 0.000 1.507 409 C CB 0.922 28.632 27.740 -0.049 0.000 2.028 409 C HN 1.171 nan 8.230 nan 0.000 0.475 410 G N 2.989 111.803 108.800 0.024 0.000 2.655 410 G HA2 0.003 3.963 3.960 -0.000 0.000 0.680 410 G HA3 0.003 3.963 3.960 -0.000 0.000 0.680 410 G C -3.205 171.688 174.900 -0.012 0.000 1.302 410 G CA -0.983 44.157 45.100 0.067 0.000 0.872 410 G HN 0.609 nan 8.290 nan 0.000 0.540 411 P HA 0.426 nan 4.420 nan 0.000 0.261 411 P C -0.072 177.365 177.300 0.228 0.000 1.203 411 P CA 1.069 64.254 63.100 0.141 0.000 0.767 411 P CB 0.736 32.510 31.700 0.124 0.000 0.785 412 A N 3.487 126.401 122.820 0.156 0.000 2.288 412 A HA 0.373 4.693 4.320 -0.000 0.000 0.320 412 A C 0.523 178.168 177.584 0.101 0.000 1.217 412 A CA -0.654 51.461 52.037 0.130 0.000 0.840 412 A CB 0.544 19.615 19.000 0.118 0.000 1.179 412 A HN 0.473 nan 8.150 nan 0.000 0.504 413 S N 2.596 118.330 115.700 0.058 0.000 2.506 413 S HA 0.110 4.580 4.470 -0.000 0.000 0.291 413 S C 1.438 176.089 174.600 0.085 0.000 1.230 413 S CA -0.311 57.924 58.200 0.059 0.000 1.107 413 S CB -0.157 63.059 63.200 0.026 0.000 0.942 413 S HN 0.711 nan 8.310 nan 0.000 0.502 414 V N 5.937 125.881 119.914 0.051 0.000 2.370 414 V HA -0.203 3.917 4.120 -0.000 0.000 0.252 414 V C 2.699 178.803 176.094 0.018 0.000 1.068 414 V CA 1.964 64.217 62.300 -0.079 0.000 1.061 414 V CB -0.594 31.108 31.823 -0.203 0.000 0.656 414 V HN 0.827 nan 8.190 nan 0.000 0.455 415 Q N -0.863 119.015 119.800 0.129 0.000 2.167 415 Q HA -0.099 4.241 4.340 -0.000 0.000 0.202 415 Q C 2.395 178.618 176.000 0.373 0.000 0.970 415 Q CA 1.637 57.560 55.803 0.201 0.000 0.855 415 Q CB -0.257 28.557 28.738 0.126 0.000 0.911 415 Q HN 0.688 nan 8.270 nan 0.000 0.438 416 A N 0.614 123.681 122.820 0.412 0.000 2.014 416 A HA -0.111 4.209 4.320 -0.000 0.000 0.218 416 A C 1.895 179.698 177.584 0.366 0.000 1.163 416 A CA 0.655 52.918 52.037 0.378 0.000 0.652 416 A CB -0.206 18.741 19.000 -0.089 0.000 0.808 416 A HN 0.189 nan 8.150 nan 0.000 0.449 417 I N 0.168 120.925 120.570 0.311 0.000 2.163 417 I HA -0.173 3.997 4.170 -0.000 0.000 0.240 417 I C 2.260 178.670 176.117 0.488 0.000 1.081 417 I CA 1.705 63.247 61.300 0.403 0.000 1.353 417 I CB -1.255 36.917 38.000 0.287 0.000 1.054 417 I HN 0.386 nan 8.210 nan 0.000 0.407 418 K N 0.024 120.639 120.400 0.357 0.000 2.286 418 K HA -0.214 4.106 4.320 -0.000 0.000 0.203 418 K C 1.065 177.924 176.600 0.432 0.000 1.045 418 K CA 1.505 57.965 56.287 0.288 0.000 0.935 418 K CB -0.041 32.538 32.500 0.130 0.000 0.737 418 K HN 0.416 nan 8.250 nan 0.000 0.460 419 H N -1.736 117.551 119.070 0.363 0.000 2.528 419 H HA 0.250 4.806 4.556 -0.000 0.000 0.282 419 H C 0.717 176.106 175.328 0.101 0.000 1.097 419 H CA 0.246 56.491 56.048 0.328 0.000 1.121 419 H CB 1.036 31.078 29.762 0.468 0.000 1.590 419 H HN 0.365 nan 8.280 nan 0.000 0.553 420 G N 0.813 109.805 108.800 0.320 0.000 2.180 420 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.263 420 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.263 420 G C 0.050 174.870 174.900 -0.134 0.000 0.989 420 G CA 0.202 45.250 45.100 -0.087 0.000 0.692 420 G HN 0.523 nan 8.290 nan 0.000 0.526 421 H N 0.427 119.600 119.070 0.172 0.000 2.970 421 H HA 0.284 4.840 4.556 -0.000 0.000 0.226 421 H C 1.708 176.975 175.328 -0.101 0.000 1.909 421 H CA 0.678 56.791 56.048 0.109 0.000 1.388 421 H CB 0.006 29.893 29.762 0.208 0.000 1.773 421 H HN 0.475 nan 8.280 nan 0.000 0.559 422 V N -0.852 119.037 119.914 -0.043 0.000 3.620 422 V HA -0.055 4.065 4.120 -0.000 0.000 0.286 422 V C 1.864 177.799 176.094 -0.265 0.000 1.288 422 V CA 0.163 62.379 62.300 -0.140 0.000 1.178 422 V CB -1.420 30.287 31.823 -0.194 0.000 0.986 422 V HN 0.605 nan 8.190 nan 0.000 0.431 423 C N -2.153 116.790 119.300 -0.595 0.000 2.562 423 C HA 0.407 4.867 4.460 -0.000 0.000 0.266 423 C C 0.778 175.360 174.990 -0.680 0.000 1.382 423 C CA -0.715 57.833 59.018 -0.784 0.000 1.742 423 C CB -1.786 25.129 27.740 -1.374 0.000 1.812 423 C HN 0.372 nan 8.230 nan 0.000 0.559 424 F N 2.985 122.738 119.950 -0.329 0.000 2.404 424 F HA 0.411 4.938 4.527 -0.000 0.000 0.339 424 F C 0.822 176.420 175.800 -0.336 0.000 1.105 424 F CA -1.271 56.509 58.000 -0.368 0.000 1.087 424 F CB 0.549 39.252 39.000 -0.495 0.000 1.143 424 F HN 0.296 nan 8.300 nan 0.000 0.491 425 Q N 1.769 121.425 119.800 -0.239 0.000 2.421 425 Q HA 0.375 4.715 4.340 -0.000 0.000 0.255 425 Q C -1.657 174.106 176.000 -0.395 0.000 1.013 425 Q CA 0.023 55.504 55.803 -0.537 0.000 0.895 425 Q CB 0.618 28.576 28.738 -1.300 0.000 1.271 425 Q HN 0.455 nan 8.270 nan 0.000 0.460 426 F N 0.346 120.293 119.950 -0.005 0.000 2.495 426 F HA 0.238 4.765 4.527 -0.000 0.000 0.327 426 F C -0.150 175.662 175.800 0.020 0.000 1.103 426 F CA -0.898 57.100 58.000 -0.003 0.000 0.949 426 F CB 1.458 40.441 39.000 -0.029 0.000 1.142 426 F HN 0.691 nan 8.300 nan 0.000 0.457 427 D N 0.936 121.460 120.400 0.207 0.000 2.772 427 D HA -0.229 4.411 4.640 -0.000 0.000 0.233 427 D C 1.268 177.736 176.300 0.280 0.000 1.143 427 D CA 0.851 54.993 54.000 0.237 0.000 0.700 427 D CB -1.032 39.839 40.800 0.119 0.000 1.076 427 D HN 0.664 nan 8.370 nan 0.000 0.430 428 A N -0.066 122.857 122.820 0.172 0.000 1.858 428 A HA -0.080 4.240 4.320 -0.000 0.000 0.216 428 A C -0.101 177.542 177.584 0.099 0.000 1.190 428 A CA 1.667 53.778 52.037 0.123 0.000 0.617 428 A CB -1.054 17.975 19.000 0.049 0.000 0.827 428 A HN 0.295 nan 8.150 nan 0.000 0.443 429 P HA -0.153 nan 4.420 nan 0.000 0.217 429 P C 0.814 177.957 177.300 -0.261 0.000 1.148 429 P CA 1.111 64.067 63.100 -0.241 0.000 0.828 429 P CB -0.209 31.187 31.700 -0.507 0.000 0.783 430 F N -1.493 118.479 119.950 0.037 0.000 2.407 430 F HA -0.086 4.441 4.527 -0.000 0.000 0.299 430 F C 2.042 177.838 175.800 -0.007 0.000 1.097 430 F CA 0.733 58.738 58.000 0.008 0.000 1.422 430 F CB -1.316 37.667 39.000 -0.029 0.000 1.067 430 F HN -0.196 nan 8.300 nan 0.000 0.539 431 V N -2.020 117.978 119.914 0.141 0.000 2.685 431 V HA -0.126 3.994 4.120 -0.000 0.000 0.244 431 V C 2.066 178.252 176.094 0.153 0.000 1.054 431 V CA 0.656 62.974 62.300 0.031 0.000 1.076 431 V CB -1.173 30.656 31.823 0.009 0.000 0.725 431 V HN 0.231 nan 8.190 nan 0.000 0.467 432 F N 2.634 122.618 119.950 0.057 0.000 2.046 432 F HA -0.134 4.393 4.527 -0.000 0.000 0.297 432 F C 2.391 178.221 175.800 0.051 0.000 1.123 432 F CA 1.995 60.043 58.000 0.079 0.000 1.199 432 F CB -0.474 38.548 39.000 0.037 0.000 0.972 432 F HN 0.096 nan 8.300 nan 0.000 0.474 433 A N -0.589 122.397 122.820 0.275 0.000 2.225 433 A HA -0.131 4.189 4.320 -0.000 0.000 0.215 433 A C 2.057 179.674 177.584 0.054 0.000 1.164 433 A CA 1.399 53.515 52.037 0.131 0.000 0.710 433 A CB -0.699 18.334 19.000 0.056 0.000 0.780 433 A HN 0.531 nan 8.150 nan 0.000 0.473 434 E N -1.055 119.176 120.200 0.053 0.000 2.190 434 E HA 0.013 4.363 4.350 -0.000 0.000 0.191 434 E C 1.417 178.076 176.600 0.099 0.000 0.978 434 E CA 0.791 57.224 56.400 0.054 0.000 0.839 434 E CB 0.278 29.971 29.700 -0.011 0.000 0.787 434 E HN 0.356 nan 8.360 nan 0.000 0.473 435 V N 0.923 120.878 119.914 0.068 0.000 3.635 435 V HA 0.092 4.212 4.120 -0.000 0.000 0.266 435 V C 0.139 176.202 176.094 -0.053 0.000 1.316 435 V CA 0.317 62.647 62.300 0.051 0.000 1.060 435 V CB 0.382 32.267 31.823 0.103 0.000 0.820 435 V HN 0.027 nan 8.190 nan 0.000 0.447 436 N N 1.067 119.669 118.700 -0.163 0.000 2.765 436 N HA 0.219 4.959 4.740 -0.000 0.000 0.277 436 N C -0.736 174.714 175.510 -0.101 0.000 1.750 436 N CA 0.324 53.238 53.050 -0.227 0.000 0.827 436 N CB 1.068 39.174 38.487 -0.634 0.000 1.200 436 N HN 0.366 nan 8.380 nan 0.000 0.494 437 S N -0.011 115.682 115.700 -0.012 0.000 2.541 437 S HA 0.549 5.019 4.470 -0.000 0.000 0.280 437 S C -1.019 173.597 174.600 0.026 0.000 1.112 437 S CA -0.838 57.375 58.200 0.022 0.000 0.925 437 S CB 1.959 65.177 63.200 0.031 0.000 1.067 437 S HN 0.083 nan 8.310 nan 0.000 0.479 438 D N 1.968 122.377 120.400 0.015 0.000 2.312 438 D HA 0.359 4.999 4.640 -0.000 0.000 0.248 438 D C -0.181 176.091 176.300 -0.047 0.000 1.086 438 D CA -0.356 53.645 54.000 0.001 0.000 0.948 438 D CB 0.919 41.721 40.800 0.003 0.000 1.162 438 D HN 0.503 nan 8.370 nan 0.000 0.446 439 L N 1.424 122.595 121.223 -0.087 0.000 2.289 439 L HA 0.358 4.698 4.340 -0.000 0.000 0.285 439 L C -0.271 176.437 176.870 -0.270 0.000 1.049 439 L CA -0.766 53.933 54.840 -0.236 0.000 0.804 439 L CB 1.085 42.933 42.059 -0.351 0.000 1.195 439 L HN 0.120 nan 8.230 nan 0.000 0.428 440 I N 3.107 123.476 120.570 -0.336 0.000 2.406 440 I HA 0.283 4.453 4.170 -0.000 0.000 0.290 440 I C -0.585 175.326 176.117 -0.343 0.000 0.999 440 I CA -0.641 60.521 61.300 -0.231 0.000 1.124 440 I CB 1.421 39.325 38.000 -0.160 0.000 1.289 440 I HN 0.375 nan 8.210 nan 0.000 0.441 441 Y N 6.253 126.499 120.300 -0.089 0.000 2.367 441 Y HA 0.545 5.095 4.550 0.000 0.000 0.342 441 Y C 0.324 176.172 175.900 -0.087 0.000 0.979 441 Y CA -0.247 57.795 58.100 -0.096 0.000 1.161 441 Y CB 1.308 39.745 38.460 -0.038 0.000 1.155 441 Y HN 0.354 nan 8.280 nan 0.000 0.503 442 I N 2.335 122.898 120.570 -0.012 0.000 2.569 442 I HA 0.371 4.541 4.170 -0.000 0.000 0.296 442 I C -0.324 175.883 176.117 0.150 0.000 1.028 442 I CA -0.705 60.621 61.300 0.044 0.000 1.082 442 I CB 2.272 40.256 38.000 -0.027 0.000 1.264 442 I HN 0.438 nan 8.210 nan 0.000 0.429 443 T N 4.482 119.145 114.554 0.181 0.000 2.767 443 T HA 0.524 4.874 4.350 -0.000 0.000 0.284 443 T C -0.101 174.761 174.700 0.269 0.000 0.973 443 T CA -0.459 61.748 62.100 0.178 0.000 0.996 443 T CB 1.202 70.132 68.868 0.104 0.000 0.927 443 T HN 0.630 nan 8.240 nan 0.000 0.456 444 A N 4.630 127.610 122.820 0.268 0.000 2.478 444 A HA 0.408 4.728 4.320 -0.000 0.000 0.327 444 A C 0.395 178.028 177.584 0.082 0.000 1.431 444 A CA -0.709 51.505 52.037 0.295 0.000 1.014 444 A CB -0.042 19.087 19.000 0.215 0.000 1.143 444 A HN 0.770 nan 8.150 nan 0.000 0.532 445 K N 1.702 122.104 120.400 0.004 0.000 2.382 445 K HA 0.067 4.387 4.320 -0.000 0.000 0.275 445 K C 0.487 177.056 176.600 -0.052 0.000 1.009 445 K CA -0.181 56.088 56.287 -0.030 0.000 0.970 445 K CB 0.950 33.423 32.500 -0.045 0.000 0.934 445 K HN 0.549 nan 8.250 nan 0.000 0.479 446 K N 1.639 122.018 120.400 -0.036 0.000 2.228 446 K HA -0.218 4.102 4.320 -0.000 0.000 0.205 446 K C 1.432 178.004 176.600 -0.047 0.000 1.045 446 K CA 2.047 58.312 56.287 -0.037 0.000 0.931 446 K CB -0.035 32.449 32.500 -0.028 0.000 0.727 446 K HN 0.682 nan 8.250 nan 0.000 0.458 447 D N -2.661 117.705 120.400 -0.056 0.000 2.213 447 D HA -0.027 4.613 4.640 -0.000 0.000 0.205 447 D C 1.321 177.570 176.300 -0.086 0.000 0.961 447 D CA 1.378 55.342 54.000 -0.060 0.000 0.853 447 D CB 0.461 41.229 40.800 -0.053 0.000 0.967 447 D HN 0.298 nan 8.370 nan 0.000 0.496 448 G N 0.477 109.199 108.800 -0.130 0.000 2.738 448 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.195 448 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.195 448 G C 0.598 175.247 174.900 -0.419 0.000 1.001 448 G CA 0.224 45.203 45.100 -0.202 0.000 0.759 448 G HN 0.582 nan 8.290 nan 0.000 0.494 449 T N -0.324 114.028 114.554 -0.337 0.000 2.726 449 T HA 0.592 4.942 4.350 -0.000 0.000 0.294 449 T C -0.238 174.117 174.700 -0.576 0.000 1.013 449 T CA 0.045 61.911 62.100 -0.391 0.000 0.996 449 T CB 1.346 70.122 68.868 -0.154 0.000 1.016 449 T HN 0.311 nan 8.240 nan 0.000 0.529 450 H N -1.182 117.910 119.070 0.036 0.000 2.856 450 H HA 0.691 5.247 4.556 -0.000 0.000 0.355 450 H C -1.192 174.174 175.328 0.063 0.000 1.079 450 H CA -0.715 55.376 56.048 0.071 0.000 1.240 450 H CB 1.616 31.444 29.762 0.110 0.000 1.701 450 H HN 0.598 nan 8.280 nan 0.000 0.527 451 V N 3.163 123.189 119.914 0.187 0.000 2.760 451 V HA 0.414 4.534 4.120 -0.000 0.000 0.309 451 V C -0.643 175.515 176.094 0.107 0.000 1.077 451 V CA -0.822 61.547 62.300 0.115 0.000 0.910 451 V CB 1.969 33.836 31.823 0.073 0.000 1.008 451 V HN 0.586 nan 8.190 nan 0.000 0.424 452 V N 5.260 125.221 119.914 0.080 0.000 2.432 452 V HA 0.597 4.717 4.120 -0.000 0.000 0.271 452 V C 0.859 176.993 176.094 0.066 0.000 1.046 452 V CA 0.112 62.452 62.300 0.066 0.000 0.945 452 V CB 1.213 33.062 31.823 0.043 0.000 0.992 452 V HN 0.946 nan 8.190 nan 0.000 0.471 453 E N 4.706 124.955 120.200 0.082 0.000 2.011 453 E HA 0.023 4.373 4.350 -0.000 0.000 0.191 453 E C 0.558 177.201 176.600 0.070 0.000 0.979 453 E CA 1.392 57.831 56.400 0.066 0.000 0.822 453 E CB -0.132 29.602 29.700 0.056 0.000 0.782 453 E HN 0.994 nan 8.360 nan 0.000 0.459 454 N N -0.269 118.502 118.700 0.117 0.000 2.571 454 N HA 0.298 5.038 4.740 -0.000 0.000 0.273 454 N C -0.883 174.753 175.510 0.210 0.000 1.340 454 N CA -0.684 52.440 53.050 0.123 0.000 0.789 454 N CB 2.564 41.093 38.487 0.069 0.000 1.514 454 N HN -0.014 nan 8.380 nan 0.000 0.499 455 V N -2.121 117.882 119.914 0.148 0.000 2.531 455 V HA 0.496 4.616 4.120 -0.000 0.000 0.301 455 V C -1.006 175.161 176.094 0.122 0.000 1.034 455 V CA -0.760 61.611 62.300 0.118 0.000 0.865 455 V CB 1.463 33.315 31.823 0.049 0.000 0.995 455 V HN 0.735 nan 8.190 nan 0.000 0.424 456 D N 4.622 125.100 120.400 0.130 0.000 2.500 456 D HA 0.500 5.140 4.640 -0.000 0.000 0.219 456 D C 0.898 177.244 176.300 0.076 0.000 1.137 456 D CA 0.217 54.288 54.000 0.118 0.000 0.946 456 D CB 1.377 42.267 40.800 0.149 0.000 1.022 456 D HN 0.932 nan 8.370 nan 0.000 0.518 457 A N 2.704 125.564 122.820 0.067 0.000 2.310 457 A HA 0.094 4.414 4.320 -0.000 0.000 0.230 457 A C 1.212 178.836 177.584 0.067 0.000 1.294 457 A CA 0.324 52.395 52.037 0.058 0.000 0.898 457 A CB -0.294 18.734 19.000 0.046 0.000 0.917 457 A HN 0.450 nan 8.150 nan 0.000 0.491 458 T N -5.833 108.774 114.554 0.088 0.000 3.399 458 T HA 0.216 4.566 4.350 -0.000 0.000 0.305 458 T C 0.708 175.483 174.700 0.126 0.000 0.983 458 T CA 0.275 62.429 62.100 0.090 0.000 0.967 458 T CB -0.542 68.369 68.868 0.071 0.000 1.186 458 T HN 0.497 nan 8.240 nan 0.000 0.504 459 H N 0.875 119.959 119.070 0.024 0.000 2.439 459 H HA 0.521 5.077 4.556 -0.000 0.000 0.299 459 H C 0.297 175.683 175.328 0.097 0.000 1.033 459 H CA 0.043 56.084 56.048 -0.012 0.000 1.348 459 H CB 0.216 29.886 29.762 -0.153 0.000 1.449 459 H HN 0.340 nan 8.280 nan 0.000 0.544 460 I N 1.230 121.898 120.570 0.164 0.000 2.352 460 I HA 0.214 4.384 4.170 -0.000 0.000 0.290 460 I C 0.814 177.008 176.117 0.128 0.000 1.036 460 I CA 0.650 62.053 61.300 0.173 0.000 1.336 460 I CB 1.381 39.477 38.000 0.161 0.000 1.407 460 I HN 0.662 nan 8.210 nan 0.000 0.497 461 G N 5.067 113.955 108.800 0.147 0.000 2.149 461 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.235 461 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.235 461 G C 1.165 176.106 174.900 0.068 0.000 1.018 461 G CA -0.265 44.883 45.100 0.080 0.000 0.728 461 G HN 0.594 nan 8.290 nan 0.000 0.508 462 K N -0.929 119.536 120.400 0.108 0.000 2.044 462 K HA 0.038 4.358 4.320 -0.000 0.000 0.210 462 K C 1.095 177.711 176.600 0.027 0.000 1.049 462 K CA 1.107 57.439 56.287 0.075 0.000 0.927 462 K CB -0.021 32.543 32.500 0.107 0.000 0.713 462 K HN 0.512 nan 8.250 nan 0.000 0.443 463 L N 0.846 122.093 121.223 0.040 0.000 2.476 463 L HA 0.393 4.733 4.340 -0.000 0.000 0.269 463 L C -1.429 175.465 176.870 0.040 0.000 0.965 463 L CA -0.470 54.377 54.840 0.012 0.000 0.845 463 L CB 1.741 43.768 42.059 -0.053 0.000 1.259 463 L HN -0.051 nan 8.230 nan 0.000 0.403 464 I N 4.842 125.363 120.570 -0.081 0.000 2.389 464 I HA 0.554 4.724 4.170 -0.000 0.000 0.288 464 I C -0.519 175.471 176.117 -0.211 0.000 0.999 464 I CA -0.586 60.578 61.300 -0.226 0.000 1.129 464 I CB 2.135 39.934 38.000 -0.335 0.000 1.288 464 I HN 0.240 nan 8.210 nan 0.000 0.444 465 V N 4.934 124.685 119.914 -0.271 0.000 3.130 465 V HA 0.717 4.837 4.120 -0.000 0.000 0.310 465 V C -0.767 175.129 176.094 -0.330 0.000 1.158 465 V CA -0.109 62.002 62.300 -0.315 0.000 1.029 465 V CB 2.834 34.404 31.823 -0.422 0.000 1.057 465 V HN 0.808 nan 8.190 nan 0.000 0.436 466 T N 2.241 116.617 114.554 -0.297 0.000 2.843 466 T HA 0.386 4.736 4.350 -0.000 0.000 0.302 466 T C -1.104 173.628 174.700 0.053 0.000 1.232 466 T CA -0.575 61.468 62.100 -0.096 0.000 1.009 466 T CB 1.654 70.455 68.868 -0.112 0.000 1.254 466 T HN 0.939 nan 8.240 nan 0.000 0.504 467 K N 2.086 122.684 120.400 0.331 0.000 2.355 467 K HA 0.255 4.575 4.320 -0.000 0.000 0.270 467 K C 0.437 177.142 176.600 0.175 0.000 1.003 467 K CA -0.265 56.232 56.287 0.350 0.000 0.957 467 K CB 0.450 33.116 32.500 0.276 0.000 0.939 467 K HN 0.680 nan 8.250 nan 0.000 0.482 468 Q N 2.999 122.876 119.800 0.129 0.000 2.256 468 Q HA 0.153 4.493 4.340 -0.000 0.000 0.232 468 Q C 0.869 176.888 176.000 0.032 0.000 0.965 468 Q CA -0.605 55.238 55.803 0.067 0.000 0.908 468 Q CB 0.933 29.692 28.738 0.034 0.000 1.209 468 Q HN 0.676 nan 8.270 nan 0.000 0.489 469 I N 1.113 121.673 120.570 -0.017 0.000 2.286 469 I HA -0.218 3.952 4.170 -0.000 0.000 0.248 469 I C 1.903 177.972 176.117 -0.079 0.000 1.115 469 I CA 1.479 62.717 61.300 -0.103 0.000 1.392 469 I CB -0.677 37.237 38.000 -0.143 0.000 1.065 469 I HN 0.997 nan 8.210 nan 0.000 0.418 470 G N 0.035 108.804 108.800 -0.050 0.000 2.705 470 G HA2 0.072 4.032 3.960 -0.000 0.000 0.214 470 G HA3 0.072 4.032 3.960 -0.000 0.000 0.214 470 G C 0.858 175.722 174.900 -0.061 0.000 1.321 470 G CA 0.900 45.968 45.100 -0.053 0.000 0.826 470 G HN 0.497 nan 8.290 nan 0.000 0.595 471 G N -1.282 107.493 108.800 -0.041 0.000 3.291 471 G HA2 0.397 4.357 3.960 -0.000 0.000 0.173 471 G HA3 0.397 4.357 3.960 -0.000 0.000 0.173 471 G C -0.233 174.665 174.900 -0.003 0.000 1.099 471 G CA 0.416 45.486 45.100 -0.050 0.000 0.794 471 G HN 0.094 nan 8.290 nan 0.000 0.651 472 D N 0.743 121.143 120.400 -0.001 0.000 2.336 472 D HA 0.199 4.839 4.640 -0.000 0.000 0.229 472 D C 1.314 177.662 176.300 0.079 0.000 1.061 472 D CA 0.301 54.312 54.000 0.019 0.000 0.875 472 D CB -0.101 40.692 40.800 -0.011 0.000 0.904 472 D HN 0.385 nan 8.370 nan 0.000 0.525 473 G N 0.742 109.593 108.800 0.086 0.000 2.572 473 G HA2 0.433 4.393 3.960 -0.000 0.000 0.261 473 G HA3 0.433 4.393 3.960 -0.000 0.000 0.261 473 G C 0.345 175.361 174.900 0.195 0.000 1.197 473 G CA -0.677 44.493 45.100 0.116 0.000 0.870 473 G HN 0.145 nan 8.290 nan 0.000 0.548 474 M N 0.317 119.994 119.600 0.127 0.000 2.291 474 M HA 0.733 5.213 4.480 -0.000 0.000 0.324 474 M C -0.261 175.961 176.300 -0.129 0.000 1.148 474 M CA -0.497 54.736 55.300 -0.111 0.000 1.104 474 M CB 1.714 34.008 32.600 -0.509 0.000 1.483 474 M HN 0.410 nan 8.290 nan 0.000 0.467 475 M N 2.494 121.984 119.600 -0.184 0.000 2.151 475 M HA 0.304 4.784 4.480 -0.000 0.000 0.290 475 M C -1.530 174.676 176.300 -0.156 0.000 0.965 475 M CA -0.473 54.757 55.300 -0.117 0.000 0.930 475 M CB 1.641 34.210 32.600 -0.052 0.000 1.560 475 M HN 0.839 nan 8.290 nan 0.000 0.438 476 D N 6.072 126.397 120.400 -0.125 0.000 2.346 476 D HA 0.182 4.822 4.640 -0.000 0.000 0.260 476 D C 0.542 176.797 176.300 -0.076 0.000 1.252 476 D CA 0.111 54.043 54.000 -0.114 0.000 0.895 476 D CB 0.505 41.252 40.800 -0.088 0.000 1.097 476 D HN 0.766 nan 8.370 nan 0.000 0.489 477 I N 0.760 121.283 120.570 -0.079 0.000 3.877 477 I HA 0.124 4.294 4.170 -0.000 0.000 0.332 477 I C 1.049 177.192 176.117 0.044 0.000 1.525 477 I CA -0.513 60.772 61.300 -0.025 0.000 1.146 477 I CB 0.359 38.332 38.000 -0.046 0.000 1.137 477 I HN -0.012 nan 8.210 nan 0.000 0.424 478 T N 1.792 116.349 114.554 0.004 0.000 2.833 478 T HA -0.158 4.192 4.350 -0.000 0.000 0.269 478 T C 1.628 176.359 174.700 0.053 0.000 1.054 478 T CA 2.087 64.204 62.100 0.029 0.000 1.135 478 T CB -0.344 68.520 68.868 -0.007 0.000 0.869 478 T HN 0.678 nan 8.240 nan 0.000 0.466 479 D N 1.670 122.081 120.400 0.019 0.000 2.310 479 D HA -0.108 4.532 4.640 -0.000 0.000 0.212 479 D C 2.009 178.272 176.300 -0.061 0.000 0.965 479 D CA 1.458 55.444 54.000 -0.023 0.000 0.879 479 D CB -0.617 40.174 40.800 -0.015 0.000 0.921 479 D HN 0.542 nan 8.370 nan 0.000 0.510 480 T N -2.584 111.979 114.554 0.015 0.000 2.978 480 T HA -0.087 4.263 4.350 -0.000 0.000 0.262 480 T C 1.869 176.538 174.700 -0.050 0.000 1.063 480 T CA 0.471 62.560 62.100 -0.018 0.000 1.140 480 T CB -0.674 68.191 68.868 -0.005 0.000 0.886 480 T HN 0.093 nan 8.240 nan 0.000 0.470 481 Y N 2.713 123.005 120.300 -0.013 0.000 2.397 481 Y HA 0.338 4.888 4.550 -0.000 0.000 0.292 481 Y C 1.069 176.952 175.900 -0.029 0.000 1.115 481 Y CA 0.057 58.174 58.100 0.029 0.000 1.208 481 Y CB 0.324 38.821 38.460 0.063 0.000 1.046 481 Y HN 0.406 nan 8.280 nan 0.000 0.552 482 K N -2.202 118.239 120.400 0.070 0.000 2.556 482 K HA 0.376 4.696 4.320 -0.000 0.000 0.274 482 K C -1.359 175.199 176.600 -0.070 0.000 0.966 482 K CA -0.813 55.468 56.287 -0.010 0.000 0.865 482 K CB 1.013 33.526 32.500 0.022 0.000 1.444 482 K HN -0.233 nan 8.250 nan 0.000 0.433 483 F N 0.998 120.964 119.950 0.027 0.000 2.234 483 F HA 0.213 4.740 4.527 -0.000 0.000 0.292 483 F C 0.639 176.447 175.800 0.013 0.000 1.187 483 F CA 0.051 58.059 58.000 0.013 0.000 1.128 483 F CB 0.507 39.501 39.000 -0.010 0.000 1.507 483 F HN 0.431 nan 8.300 nan 0.000 0.512 484 Q N 1.185 121.152 119.800 0.278 0.000 2.294 484 Q HA 0.151 4.491 4.340 -0.000 0.000 0.257 484 Q C -0.709 175.351 176.000 0.101 0.000 0.955 484 Q CA -0.227 55.659 55.803 0.138 0.000 0.936 484 Q CB 0.338 29.139 28.738 0.105 0.000 1.188 484 Q HN 0.207 nan 8.270 nan 0.000 0.420 485 E N 1.399 121.645 120.200 0.076 0.000 2.585 485 E HA 0.185 4.535 4.350 -0.000 0.000 0.252 485 E C 0.360 176.985 176.600 0.042 0.000 0.981 485 E CA 0.859 57.293 56.400 0.057 0.000 0.943 485 E CB 0.200 29.930 29.700 0.050 0.000 0.923 485 E HN 0.827 nan 8.360 nan 0.000 0.486 486 G N 3.364 112.183 108.800 0.031 0.000 2.467 486 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.242 486 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.242 486 G C -0.121 174.782 174.900 0.004 0.000 1.127 486 G CA -0.221 44.890 45.100 0.018 0.000 0.924 486 G HN 0.457 nan 8.290 nan 0.000 0.499 487 Q N -1.214 118.579 119.800 -0.013 0.000 2.391 487 Q HA 0.337 4.677 4.340 -0.000 0.000 0.279 487 Q C 0.794 176.743 176.000 -0.085 0.000 1.028 487 Q CA -0.996 54.779 55.803 -0.047 0.000 0.836 487 Q CB 1.311 30.019 28.738 -0.051 0.000 1.414 487 Q HN 0.106 nan 8.270 nan 0.000 0.397 488 E N 1.047 121.186 120.200 -0.101 0.000 2.147 488 E HA -0.262 4.088 4.350 -0.000 0.000 0.199 488 E C 1.007 177.499 176.600 -0.179 0.000 1.005 488 E CA 1.576 57.908 56.400 -0.112 0.000 0.810 488 E CB 0.369 30.007 29.700 -0.102 0.000 0.736 488 E HN 0.515 nan 8.360 nan 0.000 0.460 489 E N 0.718 120.723 120.200 -0.324 0.000 2.005 489 E HA -0.235 4.115 4.350 -0.000 0.000 0.198 489 E C 2.097 178.492 176.600 -0.342 0.000 1.010 489 E CA 1.643 57.663 56.400 -0.634 0.000 0.825 489 E CB -0.600 28.275 29.700 -1.374 0.000 0.769 489 E HN 0.403 nan 8.360 nan 0.000 0.456 490 E N 1.440 121.552 120.200 -0.148 0.000 2.219 490 E HA -0.222 4.128 4.350 -0.000 0.000 0.198 490 E C 2.124 178.756 176.600 0.053 0.000 0.998 490 E CA 1.541 57.990 56.400 0.082 0.000 0.818 490 E CB -0.160 29.606 29.700 0.111 0.000 0.741 490 E HN 0.120 nan 8.360 nan 0.000 0.477 491 R N -0.087 120.408 120.500 -0.009 0.000 2.062 491 R HA -0.023 4.317 4.340 -0.000 0.000 0.229 491 R C 2.426 178.725 176.300 -0.002 0.000 1.128 491 R CA 1.294 57.394 56.100 0.001 0.000 0.960 491 R CB -0.335 29.953 30.300 -0.020 0.000 0.855 491 R HN 0.393 nan 8.270 nan 0.000 0.432 492 L N 0.482 121.684 121.223 -0.036 0.000 2.056 492 L HA -0.071 4.269 4.340 -0.000 0.000 0.207 492 L C 2.520 179.384 176.870 -0.011 0.000 1.078 492 L CA 1.445 56.263 54.840 -0.038 0.000 0.749 492 L CB -0.314 41.708 42.059 -0.062 0.000 0.901 492 L HN 0.255 nan 8.230 nan 0.000 0.433 493 A N -0.456 122.391 122.820 0.045 0.000 1.908 493 A HA -0.270 4.050 4.320 -0.000 0.000 0.218 493 A C 2.198 179.879 177.584 0.162 0.000 1.181 493 A CA 2.025 54.142 52.037 0.134 0.000 0.627 493 A CB -0.866 18.310 19.000 0.293 0.000 0.818 493 A HN 0.433 nan 8.150 nan 0.000 0.445 494 L N -0.384 120.957 121.223 0.198 0.000 2.083 494 L HA -0.156 4.184 4.340 -0.000 0.000 0.209 494 L C 2.226 179.113 176.870 0.029 0.000 1.083 494 L CA 2.295 57.263 54.840 0.213 0.000 0.752 494 L CB -0.325 41.833 42.059 0.164 0.000 0.899 494 L HN 0.506 nan 8.230 nan 0.000 0.433 495 E N -1.331 118.855 120.200 -0.023 0.000 2.107 495 E HA -0.157 4.193 4.350 -0.000 0.000 0.191 495 E C 1.938 178.430 176.600 -0.179 0.000 0.982 495 E CA 1.521 57.868 56.400 -0.088 0.000 0.809 495 E CB -0.051 29.603 29.700 -0.076 0.000 0.756 495 E HN 0.529 nan 8.360 nan 0.000 0.459 496 T N 0.908 115.342 114.554 -0.200 0.000 2.708 496 T HA -0.183 4.167 4.350 -0.000 0.000 0.266 496 T C 2.014 176.462 174.700 -0.418 0.000 1.037 496 T CA 1.280 63.179 62.100 -0.335 0.000 1.146 496 T CB -0.272 68.417 68.868 -0.298 0.000 0.865 496 T HN 0.228 nan 8.240 nan 0.000 0.435 497 A N 0.967 123.569 122.820 -0.364 0.000 2.019 497 A HA -0.003 4.317 4.320 -0.000 0.000 0.219 497 A C 2.153 179.531 177.584 -0.345 0.000 1.164 497 A CA 1.071 52.823 52.037 -0.474 0.000 0.644 497 A CB -0.695 17.698 19.000 -1.012 0.000 0.805 497 A HN 0.339 nan 8.150 nan 0.000 0.449 498 L N -0.318 120.742 121.223 -0.271 0.000 2.141 498 L HA -0.104 4.236 4.340 -0.000 0.000 0.209 498 L C 2.698 179.442 176.870 -0.209 0.000 1.094 498 L CA 2.159 56.882 54.840 -0.195 0.000 0.763 498 L CB -0.619 41.360 42.059 -0.133 0.000 0.908 498 L HN 0.709 nan 8.230 nan 0.000 0.437 499 M N -4.022 115.385 119.600 -0.322 0.000 2.506 499 M HA -0.022 4.458 4.480 -0.000 0.000 0.260 499 M C 0.553 176.692 176.300 -0.268 0.000 1.104 499 M CA 1.218 56.317 55.300 -0.334 0.000 1.112 499 M CB -0.277 32.051 32.600 -0.454 0.000 1.401 499 M HN -0.027 nan 8.290 nan 0.000 0.473 500 Y N 1.980 122.180 120.300 -0.167 0.000 2.718 500 Y HA 0.524 5.074 4.550 -0.000 0.000 0.322 500 Y C 1.292 177.079 175.900 -0.188 0.000 1.122 500 Y CA -0.721 57.268 58.100 -0.186 0.000 1.348 500 Y CB -0.579 37.742 38.460 -0.232 0.000 1.174 500 Y HN 0.543 nan 8.280 nan 0.000 0.523 501 G N 0.239 109.015 108.800 -0.041 0.000 2.204 501 G HA2 -0.065 3.895 3.960 -0.000 0.000 0.244 501 G HA3 -0.065 3.895 3.960 -0.000 0.000 0.244 501 G C 0.061 174.877 174.900 -0.140 0.000 1.062 501 G CA 0.016 45.068 45.100 -0.080 0.000 0.798 501 G HN 0.678 nan 8.290 nan 0.000 0.496 502 A N 0.251 122.972 122.820 -0.165 0.000 2.276 502 A HA 0.723 5.043 4.320 -0.000 0.000 0.316 502 A C 0.495 178.011 177.584 -0.114 0.000 1.229 502 A CA -0.501 51.429 52.037 -0.178 0.000 0.851 502 A CB 0.627 19.491 19.000 -0.228 0.000 1.165 502 A HN 0.461 nan 8.150 nan 0.000 0.513 503 K N 1.949 122.291 120.400 -0.097 0.000 2.276 503 K HA 0.346 4.666 4.320 -0.000 0.000 0.283 503 K C -0.430 176.148 176.600 -0.038 0.000 1.044 503 K CA -0.169 56.081 56.287 -0.062 0.000 0.944 503 K CB 1.197 33.663 32.500 -0.055 0.000 1.012 503 K HN 0.595 nan 8.250 nan 0.000 0.472 504 K N 4.584 124.966 120.400 -0.030 0.000 2.842 504 K HA 0.136 4.456 4.320 -0.000 0.000 0.176 504 K C -1.749 174.842 176.600 -0.015 0.000 1.080 504 K CA -1.502 54.775 56.287 -0.016 0.000 0.954 504 K CB 0.678 33.171 32.500 -0.012 0.000 1.203 504 K HN 0.347 nan 8.250 nan 0.000 0.611 505 P HA -0.183 nan 4.420 nan 0.000 0.213 505 P C -0.012 177.287 177.300 -0.001 0.000 1.170 505 P CA 0.970 64.066 63.100 -0.007 0.000 0.902 505 P CB 0.247 31.943 31.700 -0.006 0.000 0.789 506 L N 0.382 121.604 121.223 -0.002 0.000 2.292 506 L HA 0.296 4.636 4.340 -0.000 0.000 0.284 506 L C 0.618 177.490 176.870 0.004 0.000 1.065 506 L CA -0.598 54.245 54.840 0.006 0.000 0.806 506 L CB 0.048 42.109 42.059 0.004 0.000 1.175 506 L HN -0.123 nan 8.230 nan 0.000 0.431 507 N N 1.389 120.094 118.700 0.009 0.000 2.401 507 N HA 0.073 4.813 4.740 -0.000 0.000 0.255 507 N C -0.029 175.487 175.510 0.011 0.000 1.110 507 N CA 0.166 53.220 53.050 0.007 0.000 0.949 507 N CB 0.638 39.129 38.487 0.006 0.000 1.110 507 N HN 0.684 nan 8.380 nan 0.000 0.490 517 N N 0.998 119.716 118.700 0.029 0.000 2.689 517 N HA -0.134 4.606 4.740 -0.000 0.000 0.263 517 N C -0.857 174.700 175.510 0.077 0.000 0.987 517 N CA 1.045 54.127 53.050 0.053 0.000 0.782 517 N CB -1.094 37.431 38.487 0.064 0.000 0.903 517 N HN 0.714 nan 8.380 nan 0.000 0.547 518 V N 0.906 120.850 119.914 0.051 0.000 2.443 518 V HA 0.206 4.326 4.120 -0.000 0.000 0.272 518 V C 0.185 176.326 176.094 0.077 0.000 1.002 518 V CA -1.013 61.339 62.300 0.087 0.000 0.840 518 V CB 1.576 33.432 31.823 0.055 0.000 1.042 518 V HN 0.165 nan 8.190 nan 0.000 0.446 519 D N 4.307 124.753 120.400 0.078 0.000 2.329 519 D HA 0.725 5.365 4.640 -0.000 0.000 0.246 519 D C -0.264 176.074 176.300 0.063 0.000 1.111 519 D CA -0.134 53.899 54.000 0.054 0.000 0.941 519 D CB 1.877 42.701 40.800 0.041 0.000 1.169 519 D HN 0.568 nan 8.370 nan 0.000 0.441 520 M N 0.497 120.100 119.600 0.005 0.000 2.426 520 M HA 0.449 4.929 4.480 -0.000 0.000 0.289 520 M C -1.968 174.286 176.300 -0.077 0.000 1.168 520 M CA -0.781 54.465 55.300 -0.091 0.000 0.933 520 M CB 2.392 34.850 32.600 -0.237 0.000 1.750 520 M HN -0.018 nan 8.290 nan 0.000 0.494 521 D N 1.679 122.032 120.400 -0.079 0.000 2.583 521 D HA 0.808 5.448 4.640 -0.000 0.000 0.248 521 D C -1.995 174.342 176.300 0.061 0.000 1.209 521 D CA -0.213 53.788 54.000 0.000 0.000 0.848 521 D CB 1.982 42.759 40.800 -0.039 0.000 1.431 521 D HN 0.694 nan 8.370 nan 0.000 0.436 522 F N -0.090 119.791 119.950 -0.114 0.000 2.565 522 F HA 0.801 5.328 4.527 -0.000 0.000 0.313 522 F C -0.876 174.883 175.800 -0.069 0.000 1.091 522 F CA -0.975 56.963 58.000 -0.103 0.000 0.915 522 F CB 1.725 40.659 39.000 -0.110 0.000 1.208 522 F HN 0.057 nan 8.300 nan 0.000 0.453 523 E N 2.589 122.758 120.200 -0.052 0.000 2.155 523 E HA 0.575 4.925 4.350 -0.000 0.000 0.264 523 E C -1.352 175.230 176.600 -0.030 0.000 0.886 523 E CA -0.666 55.660 56.400 -0.123 0.000 0.752 523 E CB 1.887 31.541 29.700 -0.077 0.000 1.133 523 E HN 0.668 nan 8.360 nan 0.000 0.414 524 V N 3.792 123.671 119.914 -0.058 0.000 2.686 524 V HA 0.246 4.365 4.120 -0.000 0.000 0.295 524 V C -0.013 176.089 176.094 0.012 0.000 1.057 524 V CA -0.592 61.712 62.300 0.006 0.000 1.012 524 V CB 1.335 33.151 31.823 -0.012 0.000 1.006 524 V HN 0.700 nan 8.190 nan 0.000 0.477 525 E N 3.753 124.000 120.200 0.079 0.000 2.055 525 E HA 0.266 4.616 4.350 -0.000 0.000 0.274 525 E C -0.194 176.392 176.600 -0.024 0.000 0.949 525 E CA -0.622 55.806 56.400 0.047 0.000 0.775 525 E CB 0.149 29.903 29.700 0.090 0.000 1.097 525 E HN 0.725 nan 8.360 nan 0.000 0.404 526 N N 3.038 121.686 118.700 -0.087 0.000 2.315 526 N HA -0.010 4.730 4.740 -0.000 0.000 0.270 526 N C -0.431 174.991 175.510 -0.147 0.000 1.329 526 N CA 0.255 53.211 53.050 -0.156 0.000 0.860 526 N CB 0.512 38.936 38.487 -0.104 0.000 1.095 526 N HN 0.564 nan 8.380 nan 0.000 0.487 527 A N 2.787 125.444 122.820 -0.271 0.000 2.282 527 A HA 0.631 4.951 4.320 -0.000 0.000 0.324 527 A C 0.118 177.661 177.584 -0.069 0.000 1.119 527 A CA -0.802 51.161 52.037 -0.123 0.000 0.880 527 A CB 1.108 20.060 19.000 -0.081 0.000 1.294 527 A HN 0.457 nan 8.150 nan 0.000 0.493 528 V N 0.727 120.657 119.914 0.028 0.000 2.837 528 V HA 0.256 4.376 4.120 -0.000 0.000 0.310 528 V C 0.353 176.506 176.094 0.099 0.000 1.059 528 V CA -0.922 61.407 62.300 0.048 0.000 1.004 528 V CB 1.390 33.250 31.823 0.061 0.000 1.045 528 V HN 0.742 nan 8.190 nan 0.000 0.465 529 L N 3.646 124.927 121.223 0.097 0.000 2.597 529 L HA 0.364 4.704 4.340 -0.000 0.000 0.271 529 L C 1.145 178.115 176.870 0.166 0.000 1.157 529 L CA 1.839 56.768 54.840 0.149 0.000 0.928 529 L CB -0.561 41.569 42.059 0.119 0.000 1.216 529 L HN 1.105 nan 8.230 nan 0.000 0.481 530 G N 3.845 112.799 108.800 0.256 0.000 2.184 530 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.206 530 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.206 530 G C 0.280 175.284 174.900 0.174 0.000 0.995 530 G CA -0.350 44.845 45.100 0.157 0.000 0.651 530 G HN 0.482 nan 8.290 nan 0.000 0.511 531 K N 1.302 121.863 120.400 0.268 0.000 2.095 531 K HA 0.607 4.927 4.320 -0.000 0.000 0.252 531 K C -0.296 176.531 176.600 0.377 0.000 0.977 531 K CA -0.684 55.753 56.287 0.249 0.000 0.900 531 K CB 0.895 33.519 32.500 0.206 0.000 1.060 531 K HN 0.267 nan 8.250 nan 0.000 0.449 532 D N 0.699 121.254 120.400 0.257 0.000 2.283 532 D HA 0.480 5.120 4.640 -0.000 0.000 0.248 532 D C -0.097 176.359 176.300 0.260 0.000 1.072 532 D CA -0.097 54.031 54.000 0.213 0.000 0.929 532 D CB 0.384 41.238 40.800 0.090 0.000 1.182 532 D HN 0.341 nan 8.370 nan 0.000 0.433 533 F N -2.202 117.834 119.950 0.144 0.000 2.869 533 F HA 0.645 5.172 4.527 -0.000 0.000 0.325 533 F C -1.074 174.769 175.800 0.072 0.000 1.184 533 F CA -1.282 56.772 58.000 0.090 0.000 0.951 533 F CB 1.230 40.277 39.000 0.077 0.000 1.421 533 F HN -0.049 nan 8.300 nan 0.000 0.501 534 K N 0.740 121.237 120.400 0.161 0.000 2.340 534 K HA 0.741 5.061 4.320 -0.000 0.000 0.244 534 K C -1.905 174.766 176.600 0.118 0.000 0.973 534 K CA -0.915 55.391 56.287 0.030 0.000 0.828 534 K CB 2.769 35.297 32.500 0.046 0.000 1.226 534 K HN 0.679 nan 8.250 nan 0.000 0.437 535 L N 1.105 122.331 121.223 0.005 0.000 2.349 535 L HA 0.314 4.654 4.340 -0.000 0.000 0.278 535 L C -1.016 175.876 176.870 0.037 0.000 0.996 535 L CA -0.188 54.648 54.840 -0.005 0.000 0.825 535 L CB 1.988 43.961 42.059 -0.144 0.000 1.243 535 L HN 0.530 nan 8.230 nan 0.000 0.412 536 S N 5.291 121.036 115.700 0.075 0.000 2.577 536 S HA 0.525 4.995 4.470 -0.000 0.000 0.294 536 S C -0.108 174.548 174.600 0.093 0.000 1.161 536 S CA -0.478 57.761 58.200 0.064 0.000 1.143 536 S CB 0.168 63.390 63.200 0.036 0.000 0.991 536 S HN 0.351 nan 8.310 nan 0.000 0.475 537 I N 3.053 123.673 120.570 0.084 0.000 2.638 537 I HA 0.331 4.501 4.170 -0.000 0.000 0.286 537 I C 0.658 176.759 176.117 -0.027 0.000 1.088 537 I CA -0.169 61.144 61.300 0.022 0.000 1.397 537 I CB 0.901 38.897 38.000 -0.007 0.000 1.414 537 I HN 0.473 nan 8.210 nan 0.000 0.566 538 T N 2.446 116.911 114.554 -0.148 0.000 3.050 538 T HA 0.547 4.897 4.350 -0.000 0.000 0.310 538 T C -0.743 173.909 174.700 -0.081 0.000 0.978 538 T CA -0.676 61.413 62.100 -0.017 0.000 1.013 538 T CB 0.299 69.178 68.868 0.018 0.000 1.000 538 T HN 0.173 nan 8.240 nan 0.000 0.447 539 F N 1.962 121.978 119.950 0.110 0.000 2.377 539 F HA 0.778 5.305 4.527 -0.000 0.000 0.328 539 F C 0.805 176.684 175.800 0.132 0.000 1.094 539 F CA -1.337 56.727 58.000 0.106 0.000 1.093 539 F CB 1.252 40.308 39.000 0.094 0.000 1.214 539 F HN 0.436 nan 8.300 nan 0.000 0.518 540 R N 0.880 121.556 120.500 0.294 0.000 2.721 540 R HA 0.174 4.514 4.340 -0.000 0.000 0.272 540 R C -0.997 175.412 176.300 0.181 0.000 1.721 540 R CA -0.578 55.662 56.100 0.233 0.000 1.325 540 R CB 0.239 30.640 30.300 0.169 0.000 1.271 540 R HN 0.376 nan 8.270 nan 0.000 0.556 541 N N 2.182 120.984 118.700 0.171 0.000 2.411 541 N HA -0.083 4.657 4.740 -0.000 0.000 0.282 541 N C 0.047 175.604 175.510 0.079 0.000 1.322 541 N CA 0.563 53.704 53.050 0.152 0.000 0.943 541 N CB 0.480 39.034 38.487 0.111 0.000 1.266 541 N HN 0.464 nan 8.380 nan 0.000 0.486 542 N N 1.253 119.998 118.700 0.075 0.000 2.333 542 N HA -0.081 4.659 4.740 -0.000 0.000 0.178 542 N C 0.660 176.105 175.510 -0.109 0.000 1.018 542 N CA 0.337 53.390 53.050 0.005 0.000 0.882 542 N CB 0.242 38.744 38.487 0.026 0.000 0.984 542 N HN 0.659 nan 8.380 nan 0.000 0.434 543 S N -0.346 115.305 115.700 -0.083 0.000 2.477 543 S HA 0.129 4.599 4.470 -0.000 0.000 0.261 543 S C 0.328 174.680 174.600 -0.413 0.000 1.197 543 S CA -0.288 57.765 58.200 -0.245 0.000 1.015 543 S CB -0.038 63.170 63.200 0.014 0.000 1.077 543 S HN 0.280 nan 8.310 nan 0.000 0.505 544 H N 1.076 120.131 119.070 -0.026 0.000 2.412 544 H HA 0.517 5.073 4.556 -0.000 0.000 0.239 544 H C -0.694 174.550 175.328 -0.141 0.000 1.388 544 H CA -0.558 55.449 56.048 -0.067 0.000 1.148 544 H CB -0.749 28.989 29.762 -0.040 0.000 1.637 544 H HN 0.447 nan 8.280 nan 0.000 0.542 545 N N 1.397 119.973 118.700 -0.207 0.000 2.329 545 N HA 0.211 4.951 4.740 -0.000 0.000 0.282 545 N C -0.667 174.517 175.510 -0.545 0.000 1.198 545 N CA -0.797 52.013 53.050 -0.400 0.000 0.790 545 N CB 3.141 41.247 38.487 -0.636 0.000 1.579 545 N HN 0.285 nan 8.380 nan 0.000 0.475 546 R N 1.789 122.040 120.500 -0.416 0.000 2.207 546 R HA 0.289 4.629 4.340 -0.000 0.000 0.334 546 R C -1.203 174.902 176.300 -0.324 0.000 1.013 546 R CA -0.231 55.691 56.100 -0.296 0.000 0.858 546 R CB 0.237 30.444 30.300 -0.155 0.000 1.094 546 R HN 0.442 nan 8.270 nan 0.000 0.457 547 Y N 1.454 121.732 120.300 -0.035 0.000 2.419 547 Y HA 0.335 4.885 4.550 0.000 0.000 0.328 547 Y C 0.286 176.151 175.900 -0.058 0.000 1.162 547 Y CA -0.730 57.349 58.100 -0.035 0.000 1.174 547 Y CB 2.445 40.891 38.460 -0.024 0.000 1.228 547 Y HN 0.448 nan 8.280 nan 0.000 0.473 548 T N 4.690 119.344 114.554 0.166 0.000 2.791 548 T HA 0.630 4.980 4.350 -0.000 0.000 0.288 548 T C -0.349 174.361 174.700 0.017 0.000 0.999 548 T CA -0.429 61.698 62.100 0.044 0.000 0.952 548 T CB 0.008 68.894 68.868 0.031 0.000 0.938 548 T HN 0.334 nan 8.240 nan 0.000 0.444 549 I N 1.924 122.469 120.570 -0.041 0.000 2.846 549 I HA 0.519 4.689 4.170 -0.000 0.000 0.307 549 I C -0.078 175.992 176.117 -0.078 0.000 1.053 549 I CA -1.008 60.260 61.300 -0.055 0.000 1.050 549 I CB 2.515 40.466 38.000 -0.082 0.000 1.239 549 I HN 0.421 nan 8.210 nan 0.000 0.439 550 T N 3.351 117.861 114.554 -0.072 0.000 2.934 550 T HA 0.559 4.909 4.350 -0.000 0.000 0.328 550 T C -0.236 174.304 174.700 -0.266 0.000 1.068 550 T CA -0.468 61.513 62.100 -0.198 0.000 1.018 550 T CB 1.179 69.925 68.868 -0.204 0.000 1.009 550 T HN 0.662 nan 8.240 nan 0.000 0.471 551 A N 3.155 125.833 122.820 -0.236 0.000 2.302 551 A HA 0.822 5.142 4.320 -0.000 0.000 0.285 551 A C -1.245 175.968 177.584 -0.619 0.000 1.105 551 A CA -0.479 51.457 52.037 -0.168 0.000 0.816 551 A CB 0.508 19.648 19.000 0.233 0.000 1.067 551 A HN 0.778 nan 8.150 nan 0.000 0.489 552 Y N 0.557 120.697 120.300 -0.267 0.000 2.386 552 Y HA 0.462 5.012 4.550 0.000 0.000 0.334 552 Y C -0.334 175.402 175.900 -0.273 0.000 1.002 552 Y CA -0.630 57.295 58.100 -0.290 0.000 1.068 552 Y CB 2.018 40.385 38.460 -0.155 0.000 1.203 552 Y HN 0.601 nan 8.280 nan 0.000 0.443 553 L N 3.356 124.484 121.223 -0.159 0.000 2.313 553 L HA 0.649 4.989 4.340 -0.000 0.000 0.283 553 L C -0.914 175.943 176.870 -0.022 0.000 1.013 553 L CA -0.144 54.626 54.840 -0.117 0.000 0.816 553 L CB 1.695 43.653 42.059 -0.168 0.000 1.236 553 L HN 0.646 nan 8.230 nan 0.000 0.419 554 S N 4.177 119.913 115.700 0.061 0.000 2.596 554 S HA 0.788 5.258 4.470 -0.000 0.000 0.318 554 S C -0.467 174.201 174.600 0.113 0.000 1.097 554 S CA -0.439 57.808 58.200 0.078 0.000 1.080 554 S CB 1.176 64.457 63.200 0.134 0.000 0.991 554 S HN 0.810 nan 8.310 nan 0.000 0.471 555 A N 5.438 128.224 122.820 -0.057 0.000 2.267 555 A HA 0.643 4.963 4.320 -0.000 0.000 0.315 555 A C -0.331 177.158 177.584 -0.158 0.000 1.297 555 A CA -0.787 51.139 52.037 -0.184 0.000 0.865 555 A CB 0.421 19.115 19.000 -0.510 0.000 1.165 555 A HN 0.829 nan 8.150 nan 0.000 0.513 556 N N 2.099 120.891 118.700 0.153 0.000 2.314 556 N HA 0.445 5.185 4.740 -0.000 0.000 0.304 556 N C -0.999 174.705 175.510 0.323 0.000 1.073 556 N CA -0.410 52.823 53.050 0.305 0.000 0.822 556 N CB 2.117 40.738 38.487 0.224 0.000 1.280 556 N HN 0.553 nan 8.380 nan 0.000 0.489 557 I N 1.370 122.099 120.570 0.265 0.000 2.395 557 I HA 0.156 4.326 4.170 -0.000 0.000 0.289 557 I C 0.732 176.837 176.117 -0.020 0.000 1.023 557 I CA 0.110 61.432 61.300 0.036 0.000 1.350 557 I CB 1.062 39.041 38.000 -0.035 0.000 1.409 557 I HN 0.582 nan 8.210 nan 0.000 0.507 558 T N 2.389 116.899 114.554 -0.074 0.000 2.841 558 T HA 0.558 4.908 4.350 -0.000 0.000 0.296 558 T C -0.451 174.157 174.700 -0.154 0.000 1.166 558 T CA -0.783 61.260 62.100 -0.096 0.000 1.007 558 T CB 1.189 70.070 68.868 0.021 0.000 1.253 558 T HN 0.107 nan 8.240 nan 0.000 0.511 559 F N 1.004 120.947 119.950 -0.012 0.000 2.375 559 F HA 0.348 4.875 4.527 0.000 0.000 0.313 559 F C 1.804 177.599 175.800 -0.007 0.000 1.176 559 F CA -0.594 57.409 58.000 0.005 0.000 1.142 559 F CB 0.354 39.304 39.000 -0.085 0.000 1.275 559 F HN 0.845 nan 8.300 nan 0.000 0.544 560 Y N -1.351 119.035 120.300 0.143 0.000 2.421 560 Y HA -0.063 4.487 4.550 0.000 0.000 0.292 560 Y C 1.969 177.780 175.900 -0.149 0.000 1.136 560 Y CA 0.925 59.053 58.100 0.045 0.000 1.255 560 Y CB -1.943 36.566 38.460 0.081 0.000 0.991 560 Y HN 0.526 nan 8.280 nan 0.000 0.552 561 T N -3.243 110.679 114.554 -1.053 0.000 3.113 561 T HA 0.276 4.626 4.350 -0.000 0.000 0.263 561 T C 1.790 176.028 174.700 -0.769 0.000 1.143 561 T CA 0.742 61.874 62.100 -1.613 0.000 1.090 561 T CB -0.679 66.990 68.868 -1.998 0.000 0.922 561 T HN 0.919 nan 8.240 nan 0.000 0.521 562 G N 0.343 108.955 108.800 -0.314 0.000 2.213 562 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.236 562 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.236 562 G C 0.076 174.923 174.900 -0.088 0.000 0.991 562 G CA -0.195 44.817 45.100 -0.148 0.000 0.629 562 G HN 0.679 nan 8.290 nan 0.000 0.517 563 V N 4.198 124.066 119.914 -0.076 0.000 2.479 563 V HA 0.366 4.486 4.120 -0.000 0.000 0.281 563 V C -0.848 175.381 176.094 0.226 0.000 1.031 563 V CA -0.600 61.730 62.300 0.051 0.000 1.038 563 V CB 1.025 32.820 31.823 -0.046 0.000 0.981 563 V HN 0.334 nan 8.190 nan 0.000 0.478 564 P HA 0.216 nan 4.420 nan 0.000 0.276 564 P C -0.080 177.300 177.300 0.133 0.000 1.244 564 P CA -0.428 62.744 63.100 0.119 0.000 0.801 564 P CB 1.753 33.519 31.700 0.110 0.000 1.006 565 K N 0.504 120.935 120.400 0.051 0.000 2.462 565 K HA 0.351 4.671 4.320 -0.000 0.000 0.201 565 K C -0.155 176.481 176.600 0.059 0.000 1.268 565 K CA 0.322 56.629 56.287 0.033 0.000 0.933 565 K CB 0.937 33.360 32.500 -0.129 0.000 1.162 565 K HN 0.606 nan 8.250 nan 0.000 0.527 566 A N 1.134 124.006 122.820 0.086 0.000 2.590 566 A HA 0.279 4.599 4.320 -0.000 0.000 0.294 566 A C -1.810 175.888 177.584 0.189 0.000 1.046 566 A CA -0.676 51.434 52.037 0.121 0.000 0.684 566 A CB 1.089 20.159 19.000 0.117 0.000 1.279 566 A HN 0.174 nan 8.150 nan 0.000 0.415 567 E N 1.249 121.541 120.200 0.153 0.000 2.089 567 E HA 0.467 4.817 4.350 -0.000 0.000 0.284 567 E C -0.050 176.639 176.600 0.148 0.000 1.023 567 E CA -0.546 55.927 56.400 0.123 0.000 0.819 567 E CB 0.199 29.930 29.700 0.051 0.000 1.076 567 E HN 0.687 nan 8.360 nan 0.000 0.396 568 F N 3.691 123.697 119.950 0.094 0.000 2.746 568 F HA 0.397 4.924 4.527 -0.000 0.000 0.297 568 F C 0.163 176.030 175.800 0.113 0.000 1.113 568 F CA -0.549 57.514 58.000 0.105 0.000 1.367 568 F CB 0.350 39.434 39.000 0.139 0.000 1.111 568 F HN 0.163 nan 8.300 nan 0.000 0.590 569 K N 1.331 121.397 120.400 -0.557 0.000 2.619 569 K HA 0.374 4.694 4.320 -0.000 0.000 0.251 569 K C -1.762 174.701 176.600 -0.229 0.000 0.987 569 K CA -0.671 55.394 56.287 -0.371 0.000 0.844 569 K CB 1.556 33.747 32.500 -0.516 0.000 1.237 569 K HN -0.003 nan 8.250 nan 0.000 0.447 570 K N 2.559 122.898 120.400 -0.101 0.000 2.316 570 K HA 0.461 4.781 4.320 -0.000 0.000 0.251 570 K C -1.735 174.842 176.600 -0.039 0.000 0.934 570 K CA -0.365 55.889 56.287 -0.056 0.000 0.802 570 K CB 1.869 34.355 32.500 -0.025 0.000 1.171 570 K HN 0.562 nan 8.250 nan 0.000 0.426 571 E N 0.881 121.050 120.200 -0.051 0.000 2.354 571 E HA 0.353 4.703 4.350 -0.000 0.000 0.283 571 E C -1.953 174.528 176.600 -0.199 0.000 0.938 571 E CA -0.420 55.938 56.400 -0.070 0.000 0.777 571 E CB 1.823 31.502 29.700 -0.035 0.000 1.222 571 E HN 0.521 nan 8.360 nan 0.000 0.423 572 T N 3.146 117.576 114.554 -0.207 0.000 2.893 572 T HA 0.819 5.169 4.350 -0.000 0.000 0.293 572 T C -1.717 172.782 174.700 -0.335 0.000 1.027 572 T CA -0.524 61.320 62.100 -0.427 0.000 0.988 572 T CB 0.307 69.005 68.868 -0.283 0.000 1.043 572 T HN 0.368 nan 8.240 nan 0.000 0.461 573 F N 0.721 120.536 119.950 -0.224 0.000 2.641 573 F HA 0.614 5.141 4.527 0.000 0.000 0.308 573 F C -0.957 174.725 175.800 -0.197 0.000 1.105 573 F CA -1.588 56.314 58.000 -0.164 0.000 0.964 573 F CB 0.620 39.566 39.000 -0.089 0.000 1.294 573 F HN 0.344 nan 8.300 nan 0.000 0.442 574 D N 1.750 122.217 120.400 0.110 0.000 2.210 574 D HA 0.578 5.218 4.640 -0.000 0.000 0.249 574 D C -0.912 175.342 176.300 -0.076 0.000 1.062 574 D CA -0.213 53.779 54.000 -0.014 0.000 0.891 574 D CB 2.851 43.625 40.800 -0.042 0.000 1.186 574 D HN 0.392 nan 8.370 nan 0.000 0.432 575 V N 1.335 121.151 119.914 -0.163 0.000 2.760 575 V HA 0.262 4.382 4.120 -0.000 0.000 0.309 575 V C -0.328 175.651 176.094 -0.192 0.000 1.077 575 V CA -0.649 61.492 62.300 -0.266 0.000 0.910 575 V CB 2.382 33.847 31.823 -0.597 0.000 1.008 575 V HN 0.581 nan 8.190 nan 0.000 0.424 576 T N 5.024 119.485 114.554 -0.154 0.000 3.042 576 T HA 0.594 4.944 4.350 -0.000 0.000 0.356 576 T C -0.484 174.152 174.700 -0.107 0.000 1.233 576 T CA -0.441 61.599 62.100 -0.101 0.000 1.038 576 T CB 0.235 69.052 68.868 -0.084 0.000 1.089 576 T HN 0.217 nan 8.240 nan 0.000 0.531 577 L N 2.264 123.439 121.223 -0.080 0.000 2.397 577 L HA 0.496 4.836 4.340 -0.000 0.000 0.271 577 L C 0.680 177.499 176.870 -0.085 0.000 1.148 577 L CA -0.245 54.556 54.840 -0.065 0.000 0.825 577 L CB 0.250 42.323 42.059 0.024 0.000 1.117 577 L HN 0.422 nan 8.230 nan 0.000 0.456 578 E N 3.597 123.729 120.200 -0.114 0.000 2.266 578 E HA 0.365 4.715 4.350 -0.000 0.000 0.277 578 E C -2.403 174.132 176.600 -0.109 0.000 1.018 578 E CA -2.089 54.234 56.400 -0.127 0.000 0.840 578 E CB 0.974 30.577 29.700 -0.161 0.000 1.082 578 E HN 0.238 nan 8.360 nan 0.000 0.395 579 P HA 0.001 nan 4.420 nan 0.000 0.262 579 P C -0.035 177.219 177.300 -0.076 0.000 1.182 579 P CA 0.633 63.673 63.100 -0.100 0.000 0.761 579 P CB 0.320 31.980 31.700 -0.067 0.000 0.795 580 L N -0.108 121.062 121.223 -0.088 0.000 5.272 580 L HA -0.356 3.984 4.340 -0.000 0.000 0.439 580 L C 1.383 178.256 176.870 0.004 0.000 1.014 580 L CA 1.438 56.242 54.840 -0.059 0.000 1.156 580 L CB -2.362 39.666 42.059 -0.052 0.000 1.767 580 L HN 0.525 nan 8.230 nan 0.000 0.703 581 S N 0.654 116.340 115.700 -0.023 0.000 2.154 581 S HA 0.685 5.155 4.470 -0.000 0.000 0.201 581 S C 0.045 174.703 174.600 0.097 0.000 1.305 581 S CA 0.315 58.486 58.200 -0.048 0.000 1.238 581 S CB 0.745 63.790 63.200 -0.259 0.000 0.810 581 S HN 0.588 nan 8.310 nan 0.000 0.411 582 F N -2.225 117.745 119.950 0.033 0.000 3.250 582 F HA 0.835 5.362 4.527 -0.000 0.000 0.326 582 F C -1.283 174.556 175.800 0.065 0.000 1.154 582 F CA -1.264 56.772 58.000 0.061 0.000 0.870 582 F CB 1.023 40.053 39.000 0.050 0.000 1.476 582 F HN 0.723 nan 8.300 nan 0.000 0.491 583 K N 1.315 122.037 120.400 0.538 0.000 2.577 583 K HA 0.261 4.581 4.320 -0.000 0.000 0.267 583 K C -2.112 174.740 176.600 0.420 0.000 0.979 583 K CA -0.710 55.794 56.287 0.363 0.000 0.942 583 K CB 1.920 34.484 32.500 0.106 0.000 1.343 583 K HN 0.881 nan 8.250 nan 0.000 0.436 584 K N 3.158 123.747 120.400 0.315 0.000 2.221 584 K HA 0.332 4.652 4.320 -0.000 0.000 0.258 584 K C -1.085 175.584 176.600 0.114 0.000 0.944 584 K CA -0.578 55.830 56.287 0.203 0.000 0.823 584 K CB 1.505 34.075 32.500 0.116 0.000 1.113 584 K HN 0.448 nan 8.250 nan 0.000 0.431 585 E N 2.201 122.455 120.200 0.091 0.000 2.191 585 E HA 0.346 4.696 4.350 -0.000 0.000 0.263 585 E C -1.472 175.105 176.600 -0.038 0.000 0.881 585 E CA -0.650 55.714 56.400 -0.060 0.000 0.757 585 E CB 2.018 31.587 29.700 -0.219 0.000 1.147 585 E HN 0.695 nan 8.360 nan 0.000 0.414 586 A N 3.370 126.157 122.820 -0.055 0.000 2.271 586 A HA 0.551 4.870 4.320 -0.000 0.000 0.317 586 A C -0.220 177.351 177.584 -0.022 0.000 1.245 586 A CA -0.580 51.445 52.037 -0.020 0.000 0.857 586 A CB 0.652 19.646 19.000 -0.010 0.000 1.175 586 A HN 0.313 nan 8.150 nan 0.000 0.512 587 V N 3.635 123.553 119.914 0.006 0.000 2.612 587 V HA 0.467 4.587 4.120 -0.000 0.000 0.301 587 V C -0.057 176.014 176.094 -0.038 0.000 1.046 587 V CA -0.753 61.556 62.300 0.016 0.000 0.946 587 V CB 1.686 33.548 31.823 0.065 0.000 1.003 587 V HN 0.804 nan 8.190 nan 0.000 0.459 588 L N 5.545 126.740 121.223 -0.048 0.000 2.325 588 L HA 0.549 4.889 4.340 -0.000 0.000 0.281 588 L C -1.013 175.780 176.870 -0.128 0.000 1.004 588 L CA -0.408 54.376 54.840 -0.093 0.000 0.823 588 L CB 1.548 43.581 42.059 -0.045 0.000 1.236 588 L HN 0.493 nan 8.230 nan 0.000 0.415 589 I N 4.609 124.996 120.570 -0.304 0.000 2.304 589 I HA 0.313 4.483 4.170 -0.000 0.000 0.291 589 I C 0.283 176.326 176.117 -0.124 0.000 1.018 589 I CA -0.307 60.830 61.300 -0.272 0.000 1.260 589 I CB 1.107 38.667 38.000 -0.733 0.000 1.390 589 I HN 0.621 nan 8.210 nan 0.000 0.475 590 Q N 3.496 123.322 119.800 0.043 0.000 2.259 590 Q HA 0.416 4.756 4.340 -0.000 0.000 0.249 590 Q C 1.213 177.274 176.000 0.101 0.000 0.914 590 Q CA -0.416 55.427 55.803 0.067 0.000 0.904 590 Q CB 2.002 30.762 28.738 0.038 0.000 1.213 590 Q HN 0.782 nan 8.270 nan 0.000 0.428 591 A N 2.843 125.692 122.820 0.048 0.000 1.971 591 A HA -0.232 4.088 4.320 -0.000 0.000 0.222 591 A C 1.876 179.119 177.584 -0.568 0.000 1.182 591 A CA 2.176 54.045 52.037 -0.280 0.000 0.649 591 A CB -1.094 17.826 19.000 -0.132 0.000 0.818 591 A HN 0.975 nan 8.150 nan 0.000 0.458 592 G N -1.086 107.580 108.800 -0.223 0.000 2.509 592 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.218 592 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.218 592 G C 1.277 176.121 174.900 -0.093 0.000 1.124 592 G CA 0.843 45.845 45.100 -0.163 0.000 0.776 592 G HN 0.709 nan 8.290 nan 0.000 0.547 593 E N -1.038 119.166 120.200 0.006 0.000 2.358 593 E HA 0.001 4.351 4.350 -0.000 0.000 0.195 593 E C 1.696 178.451 176.600 0.258 0.000 1.010 593 E CA 0.835 57.371 56.400 0.227 0.000 0.856 593 E CB 0.022 29.971 29.700 0.415 0.000 0.795 593 E HN 0.859 nan 8.360 nan 0.000 0.504 594 Y N -3.521 116.767 120.300 -0.019 0.000 2.652 594 Y HA 0.231 4.781 4.550 -0.000 0.000 0.275 594 Y C 1.943 177.751 175.900 -0.152 0.000 1.133 594 Y CA -0.419 57.501 58.100 -0.300 0.000 1.246 594 Y CB -0.329 37.752 38.460 -0.631 0.000 1.334 594 Y HN -0.216 nan 8.280 nan 0.000 0.493 595 M N 1.973 121.233 119.600 -0.565 0.000 2.190 595 M HA -0.249 4.231 4.480 -0.000 0.000 0.252 595 M C 2.156 178.408 176.300 -0.080 0.000 1.076 595 M CA 2.144 57.281 55.300 -0.271 0.000 1.079 595 M CB -1.885 30.514 32.600 -0.334 0.000 1.303 595 M HN 0.650 nan 8.290 nan 0.000 0.412 596 G N -0.165 108.590 108.800 -0.074 0.000 2.625 596 G HA2 -0.106 3.854 3.960 -0.000 0.000 0.214 596 G HA3 -0.106 3.854 3.960 -0.000 0.000 0.214 596 G C 0.817 175.711 174.900 -0.009 0.000 1.132 596 G CA 0.810 45.893 45.100 -0.028 0.000 0.782 596 G HN 0.778 nan 8.290 nan 0.000 0.538 597 Q N -0.762 119.032 119.800 -0.010 0.000 2.275 597 Q HA 0.448 4.788 4.340 -0.000 0.000 0.314 597 Q C -0.159 175.818 176.000 -0.038 0.000 0.851 597 Q CA -0.475 55.319 55.803 -0.015 0.000 1.083 597 Q CB -0.191 28.546 28.738 -0.001 0.000 1.341 597 Q HN 0.191 nan 8.270 nan 0.000 0.402 598 L N 0.993 122.205 121.223 -0.017 0.000 2.475 598 L HA 0.432 4.772 4.340 -0.000 0.000 0.253 598 L C -0.203 176.627 176.870 -0.066 0.000 1.198 598 L CA -0.588 54.233 54.840 -0.030 0.000 0.814 598 L CB 0.763 42.845 42.059 0.038 0.000 1.134 598 L HN 0.346 nan 8.230 nan 0.000 0.478 599 L N 1.029 122.193 121.223 -0.098 0.000 2.362 599 L HA 0.278 4.618 4.340 -0.000 0.000 0.275 599 L C 0.905 177.764 176.870 -0.018 0.000 0.998 599 L CA -0.561 54.206 54.840 -0.123 0.000 0.820 599 L CB 1.790 43.633 42.059 -0.360 0.000 1.270 599 L HN 0.708 nan 8.230 nan 0.000 0.415 600 E N 1.334 121.565 120.200 0.052 0.000 2.816 600 E HA -0.419 3.931 4.350 -0.000 0.000 0.235 600 E C 0.687 177.306 176.600 0.032 0.000 0.972 600 E CA 2.484 58.938 56.400 0.091 0.000 1.534 600 E CB -0.226 29.576 29.700 0.170 0.000 1.465 600 E HN 0.672 nan 8.360 nan 0.000 0.464 601 Q N -0.198 119.584 119.800 -0.031 0.000 2.253 601 Q HA 0.346 4.686 4.340 -0.000 0.000 0.210 601 Q C -0.011 176.009 176.000 0.033 0.000 0.907 601 Q CA 0.263 56.015 55.803 -0.086 0.000 0.948 601 Q CB 0.581 29.205 28.738 -0.190 0.000 1.033 601 Q HN 0.439 nan 8.270 nan 0.000 0.471 602 A N 1.521 124.358 122.820 0.028 0.000 2.364 602 A HA -0.199 4.121 4.320 -0.000 0.000 0.288 602 A C 0.325 177.903 177.584 -0.010 0.000 1.433 602 A CA 0.810 52.853 52.037 0.010 0.000 0.757 602 A CB -1.771 17.249 19.000 0.033 0.000 1.098 602 A HN 0.459 nan 8.150 nan 0.000 0.380 603 S N 0.173 115.871 115.700 -0.003 0.000 2.537 603 S HA 0.910 5.380 4.470 -0.000 0.000 0.301 603 S C -0.555 174.027 174.600 -0.030 0.000 1.092 603 S CA -1.077 57.130 58.200 0.013 0.000 1.048 603 S CB 2.044 65.304 63.200 0.100 0.000 1.053 603 S HN 0.779 nan 8.310 nan 0.000 0.501 604 L N 2.240 123.439 121.223 -0.040 0.000 2.371 604 L HA 0.588 4.928 4.340 -0.000 0.000 0.262 604 L C -0.184 176.583 176.870 -0.171 0.000 1.006 604 L CA -0.468 54.308 54.840 -0.106 0.000 0.818 604 L CB 1.513 43.488 42.059 -0.140 0.000 1.354 604 L HN 0.955 nan 8.230 nan 0.000 0.415 605 H N 1.210 120.051 119.070 -0.382 0.000 2.637 605 H HA 0.589 5.145 4.556 0.000 0.000 0.363 605 H C -1.648 173.299 175.328 -0.635 0.000 1.131 605 H CA -0.431 55.404 56.048 -0.354 0.000 1.183 605 H CB 2.006 31.718 29.762 -0.083 0.000 1.637 605 H HN 0.332 nan 8.280 nan 0.000 0.531 606 F N 3.438 123.207 119.950 -0.302 0.000 2.507 606 F HA 0.331 4.858 4.527 0.000 0.000 0.325 606 F C -0.775 174.797 175.800 -0.381 0.000 1.116 606 F CA -0.698 57.211 58.000 -0.151 0.000 0.930 606 F CB 1.178 40.219 39.000 0.069 0.000 1.146 606 F HN 0.337 nan 8.300 nan 0.000 0.447 607 F N 2.596 122.570 119.950 0.040 0.000 2.427 607 F HA 0.634 5.161 4.527 -0.000 0.000 0.348 607 F C -0.555 175.170 175.800 -0.125 0.000 1.125 607 F CA -1.049 56.949 58.000 -0.004 0.000 0.989 607 F CB 1.711 40.739 39.000 0.045 0.000 1.165 607 F HN 0.056 nan 8.300 nan 0.000 0.442 608 V N 3.461 123.333 119.914 -0.069 0.000 2.349 608 V HA 0.473 4.593 4.120 -0.000 0.000 0.284 608 V C -0.427 175.638 176.094 -0.048 0.000 1.014 608 V CA -0.612 61.557 62.300 -0.217 0.000 0.826 608 V CB 1.690 33.097 31.823 -0.694 0.000 1.009 608 V HN 0.787 nan 8.190 nan 0.000 0.431 609 T N 2.025 116.594 114.554 0.025 0.000 2.863 609 T HA 0.924 5.274 4.350 -0.000 0.000 0.285 609 T C -0.406 174.366 174.700 0.120 0.000 1.009 609 T CA -0.596 61.532 62.100 0.046 0.000 0.989 609 T CB 2.274 71.167 68.868 0.042 0.000 1.004 609 T HN 0.921 nan 8.240 nan 0.000 0.455 610 A N 2.275 125.161 122.820 0.110 0.000 2.454 610 A HA 0.889 5.209 4.320 -0.000 0.000 0.302 610 A C -0.545 177.107 177.584 0.113 0.000 1.079 610 A CA -1.172 50.960 52.037 0.159 0.000 0.731 610 A CB 1.730 20.887 19.000 0.261 0.000 1.299 610 A HN 0.966 nan 8.150 nan 0.000 0.413 611 R N 2.020 122.582 120.500 0.102 0.000 2.451 611 R HA 0.549 4.889 4.340 -0.000 0.000 0.307 611 R C -1.629 174.681 176.300 0.017 0.000 0.965 611 R CA -0.516 55.623 56.100 0.064 0.000 0.865 611 R CB 0.816 31.183 30.300 0.112 0.000 1.174 611 R HN 0.688 nan 8.270 nan 0.000 0.455 612 I N 6.410 126.961 120.570 -0.030 0.000 2.241 612 I HA -0.001 4.169 4.170 -0.000 0.000 0.294 612 I C 1.396 177.483 176.117 -0.050 0.000 1.145 612 I CA -0.316 60.933 61.300 -0.086 0.000 1.261 612 I CB 0.526 38.376 38.000 -0.250 0.000 1.475 612 I HN 0.727 nan 8.210 nan 0.000 0.533 613 N N 3.539 122.236 118.700 -0.006 0.000 2.493 613 N HA -0.250 4.490 4.740 -0.000 0.000 0.191 613 N C 0.955 176.479 175.510 0.023 0.000 1.041 613 N CA 0.937 53.995 53.050 0.013 0.000 0.904 613 N CB 0.132 38.632 38.487 0.022 0.000 0.948 613 N HN 0.560 nan 8.380 nan 0.000 0.446 614 E N 0.964 121.182 120.200 0.031 0.000 2.011 614 E HA -0.062 4.288 4.350 -0.000 0.000 0.191 614 E C 2.129 178.750 176.600 0.034 0.000 0.980 614 E CA 2.077 58.520 56.400 0.072 0.000 0.814 614 E CB -0.442 29.378 29.700 0.201 0.000 0.775 614 E HN 0.566 nan 8.360 nan 0.000 0.454 615 T N -1.642 112.899 114.554 -0.022 0.000 3.100 615 T HA 0.165 4.515 4.350 -0.000 0.000 0.253 615 T C 0.773 175.456 174.700 -0.028 0.000 1.118 615 T CA 0.055 62.138 62.100 -0.028 0.000 1.058 615 T CB 0.233 69.057 68.868 -0.074 0.000 0.953 615 T HN -0.015 nan 8.240 nan 0.000 0.515 616 R N 0.174 120.656 120.500 -0.030 0.000 3.922 616 R HA -0.118 4.222 4.340 -0.000 0.000 0.447 616 R C -0.980 175.308 176.300 -0.021 0.000 1.035 616 R CA 0.973 57.065 56.100 -0.014 0.000 1.289 616 R CB -2.422 27.878 30.300 0.001 0.000 1.906 616 R HN 0.493 nan 8.270 nan 0.000 0.540 617 D N 0.036 120.408 120.400 -0.046 0.000 2.443 617 D HA 0.239 4.879 4.640 -0.000 0.000 0.239 617 D C 0.169 176.447 176.300 -0.037 0.000 1.136 617 D CA 0.245 54.218 54.000 -0.044 0.000 0.879 617 D CB 0.842 41.598 40.800 -0.072 0.000 1.195 617 D HN -0.154 nan 8.370 nan 0.000 0.443 618 V N 3.025 122.924 119.914 -0.025 0.000 2.667 618 V HA 0.477 4.596 4.120 -0.000 0.000 0.308 618 V C -0.067 175.997 176.094 -0.050 0.000 1.048 618 V CA -0.778 61.508 62.300 -0.024 0.000 0.928 618 V CB 1.580 33.392 31.823 -0.019 0.000 1.004 618 V HN 0.327 nan 8.190 nan 0.000 0.444 619 L N 3.729 124.923 121.223 -0.049 0.000 2.381 619 L HA 0.900 5.240 4.340 -0.000 0.000 0.274 619 L C -0.216 176.575 176.870 -0.132 0.000 0.988 619 L CA -0.471 54.325 54.840 -0.075 0.000 0.824 619 L CB 1.910 43.965 42.059 -0.007 0.000 1.263 619 L HN 0.749 nan 8.230 nan 0.000 0.410 620 A N 3.439 126.092 122.820 -0.278 0.000 2.449 620 A HA 0.949 5.269 4.320 -0.000 0.000 0.302 620 A C -1.170 176.263 177.584 -0.252 0.000 1.048 620 A CA -0.665 51.160 52.037 -0.353 0.000 0.708 620 A CB 2.123 20.638 19.000 -0.807 0.000 1.274 620 A HN 0.491 nan 8.150 nan 0.000 0.410 621 K N 0.830 121.209 120.400 -0.034 0.000 2.527 621 K HA 0.528 4.848 4.320 -0.000 0.000 0.260 621 K C -1.397 175.322 176.600 0.198 0.000 0.937 621 K CA -0.329 56.040 56.287 0.135 0.000 0.826 621 K CB 2.266 34.964 32.500 0.331 0.000 1.359 621 K HN 0.993 nan 8.250 nan 0.000 0.434 622 Q N 0.902 120.766 119.800 0.106 0.000 2.340 622 Q HA 0.650 4.990 4.340 -0.000 0.000 0.276 622 Q C -1.231 174.739 176.000 -0.050 0.000 1.048 622 Q CA -1.029 54.695 55.803 -0.132 0.000 0.832 622 Q CB 2.952 31.322 28.738 -0.614 0.000 1.373 622 Q HN 0.341 nan 8.270 nan 0.000 0.409 623 K N 0.719 121.116 120.400 -0.005 0.000 2.509 623 K HA 0.716 5.036 4.320 -0.000 0.000 0.266 623 K C -1.293 175.411 176.600 0.173 0.000 0.987 623 K CA -0.854 55.502 56.287 0.114 0.000 0.868 623 K CB 2.655 35.135 32.500 -0.034 0.000 1.421 623 K HN 0.705 nan 8.250 nan 0.000 0.444 624 S N 0.346 116.274 115.700 0.380 0.000 2.548 624 S HA 0.614 5.084 4.470 -0.000 0.000 0.286 624 S C -1.212 173.550 174.600 0.269 0.000 1.098 624 S CA -0.837 57.592 58.200 0.380 0.000 0.930 624 S CB 1.919 65.444 63.200 0.542 0.000 1.070 624 S HN 0.675 nan 8.310 nan 0.000 0.480 625 T N -1.273 113.404 114.554 0.204 0.000 2.952 625 T HA 0.684 5.034 4.350 -0.000 0.000 0.305 625 T C -0.740 173.980 174.700 0.033 0.000 1.064 625 T CA -0.900 61.265 62.100 0.109 0.000 1.008 625 T CB 0.920 69.863 68.868 0.125 0.000 1.078 625 T HN 0.679 nan 8.240 nan 0.000 0.459 626 V N 1.634 121.543 119.914 -0.009 0.000 2.384 626 V HA 0.625 4.745 4.120 -0.000 0.000 0.287 626 V C 0.127 176.181 176.094 -0.066 0.000 1.020 626 V CA -1.171 61.120 62.300 -0.014 0.000 0.850 626 V CB 0.862 32.697 31.823 0.020 0.000 0.987 626 V HN 0.980 nan 8.190 nan 0.000 0.436 627 L N 3.987 125.161 121.223 -0.082 0.000 2.456 627 L HA 0.292 4.632 4.340 -0.000 0.000 0.272 627 L C 0.838 177.696 176.870 -0.021 0.000 1.189 627 L CA 0.349 55.135 54.840 -0.090 0.000 0.846 627 L CB 0.890 42.899 42.059 -0.083 0.000 1.111 627 L HN 0.799 nan 8.230 nan 0.000 0.475 628 T N 3.717 118.259 114.554 -0.020 0.000 2.882 628 T HA 0.623 4.973 4.350 -0.000 0.000 0.287 628 T C -0.132 174.594 174.700 0.044 0.000 0.992 628 T CA -0.297 61.808 62.100 0.008 0.000 1.076 628 T CB 1.281 70.142 68.868 -0.012 0.000 0.961 628 T HN 0.250 nan 8.240 nan 0.000 0.490 629 I N 3.842 124.453 120.570 0.068 0.000 2.582 629 I HA 0.384 4.554 4.170 -0.000 0.000 0.292 629 I C -2.141 174.029 176.117 0.089 0.000 1.066 629 I CA -2.493 58.861 61.300 0.089 0.000 1.053 629 I CB 2.043 40.116 38.000 0.122 0.000 1.241 629 I HN 0.435 nan 8.210 nan 0.000 0.421 630 P HA 0.148 nan 4.420 nan 0.000 0.271 630 P C -0.723 176.654 177.300 0.127 0.000 1.216 630 P CA -0.236 62.906 63.100 0.070 0.000 0.776 630 P CB 0.763 32.478 31.700 0.025 0.000 0.881 631 E N 1.962 122.228 120.200 0.111 0.000 2.397 631 E HA 0.237 4.587 4.350 -0.000 0.000 0.254 631 E C 0.609 177.318 176.600 0.182 0.000 1.231 631 E CA -0.524 55.958 56.400 0.137 0.000 0.954 631 E CB 0.546 30.305 29.700 0.098 0.000 1.024 631 E HN 0.426 nan 8.360 nan 0.000 0.481 632 I N 1.147 121.826 120.570 0.181 0.000 2.532 632 I HA 0.111 4.281 4.170 -0.000 0.000 0.292 632 I C 0.269 176.465 176.117 0.131 0.000 1.014 632 I CA -0.599 60.828 61.300 0.212 0.000 1.340 632 I CB 0.646 38.741 38.000 0.158 0.000 1.422 632 I HN 0.110 nan 8.210 nan 0.000 0.528 633 I N 6.465 127.106 120.570 0.118 0.000 2.353 633 I HA 0.396 4.566 4.170 -0.000 0.000 0.293 633 I C 0.010 176.163 176.117 0.059 0.000 0.992 633 I CA -0.313 61.028 61.300 0.070 0.000 1.268 633 I CB 1.169 39.198 38.000 0.049 0.000 1.387 633 I HN 0.373 nan 8.210 nan 0.000 0.478 634 I N 7.196 127.785 120.570 0.031 0.000 2.447 634 I HA 0.327 4.497 4.170 -0.000 0.000 0.287 634 I C -0.396 175.714 176.117 -0.012 0.000 1.023 634 I CA -0.713 60.590 61.300 0.005 0.000 1.083 634 I CB 1.652 39.647 38.000 -0.009 0.000 1.245 634 I HN 0.506 nan 8.210 nan 0.000 0.434 635 K N 6.017 126.404 120.400 -0.022 0.000 2.427 635 K HA 0.718 5.038 4.320 -0.000 0.000 0.252 635 K C -0.928 175.647 176.600 -0.041 0.000 0.931 635 K CA -0.855 55.416 56.287 -0.025 0.000 0.793 635 K CB 2.629 35.121 32.500 -0.013 0.000 1.211 635 K HN 0.347 nan 8.250 nan 0.000 0.426 636 V N -0.432 119.456 119.914 -0.044 0.000 2.539 636 V HA 0.571 4.691 4.120 -0.000 0.000 0.292 636 V C -0.192 175.879 176.094 -0.038 0.000 1.045 636 V CA -0.834 61.436 62.300 -0.051 0.000 0.945 636 V CB 1.156 32.944 31.823 -0.058 0.000 0.993 636 V HN 0.972 nan 8.190 nan 0.000 0.464 637 R N 2.348 122.825 120.500 -0.038 0.000 2.607 637 R HA 0.635 4.975 4.340 -0.000 0.000 0.278 637 R C -0.080 176.204 176.300 -0.026 0.000 1.637 637 R CA 0.528 56.611 56.100 -0.027 0.000 1.325 637 R CB 0.988 31.275 30.300 -0.022 0.000 1.211 637 R HN 1.345 nan 8.270 nan 0.000 0.565 638 G N 0.512 109.298 108.800 -0.024 0.000 2.399 638 G HA2 0.031 3.991 3.960 -0.000 0.000 0.256 638 G HA3 0.031 3.991 3.960 -0.000 0.000 0.256 638 G C -1.381 173.507 174.900 -0.019 0.000 1.236 638 G CA -0.629 44.459 45.100 -0.020 0.000 0.914 638 G HN 0.185 nan 8.290 nan 0.000 0.482 639 T N 0.743 115.287 114.554 -0.017 0.000 2.744 639 T HA 0.471 4.821 4.350 -0.000 0.000 0.291 639 T C 0.253 174.940 174.700 -0.021 0.000 0.957 639 T CA -0.155 61.936 62.100 -0.015 0.000 1.002 639 T CB 1.772 70.635 68.868 -0.008 0.000 0.919 639 T HN 0.383 nan 8.240 nan 0.000 0.468 640 Q N 2.088 121.873 119.800 -0.025 0.000 2.404 640 Q HA 0.298 4.638 4.340 -0.000 0.000 0.272 640 Q C -0.537 175.446 176.000 -0.028 0.000 0.939 640 Q CA -0.025 55.758 55.803 -0.034 0.000 0.945 640 Q CB -0.257 28.459 28.738 -0.037 0.000 1.195 640 Q HN 0.515 nan 8.270 nan 0.000 0.415 641 V N 0.019 119.922 119.914 -0.018 0.000 2.555 641 V HA 0.314 4.434 4.120 -0.000 0.000 0.302 641 V C -0.049 176.044 176.094 -0.001 0.000 1.038 641 V CA -1.084 61.210 62.300 -0.009 0.000 0.887 641 V CB 2.094 33.916 31.823 -0.002 0.000 0.991 641 V HN -0.010 nan 8.190 nan 0.000 0.434 642 V N 4.818 124.735 119.914 0.005 0.000 2.644 642 V HA 0.314 4.434 4.120 -0.000 0.000 0.305 642 V C 1.585 177.708 176.094 0.048 0.000 1.053 642 V CA 1.854 64.171 62.300 0.028 0.000 1.186 642 V CB 0.054 31.900 31.823 0.039 0.000 0.895 642 V HN 1.338 nan 8.190 nan 0.000 0.490 643 G N 3.973 112.818 108.800 0.074 0.000 2.284 643 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.247 643 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.247 643 G C 0.466 175.396 174.900 0.049 0.000 1.012 643 G CA 0.296 45.439 45.100 0.072 0.000 0.618 643 G HN 0.772 nan 8.290 nan 0.000 0.521 644 S N 1.294 117.014 115.700 0.032 0.000 2.632 644 S HA 0.555 5.025 4.470 -0.000 0.000 0.271 644 S C -0.232 174.378 174.600 0.017 0.000 1.260 644 S CA -0.555 57.657 58.200 0.020 0.000 1.010 644 S CB 1.335 64.541 63.200 0.009 0.000 0.965 644 S HN 0.353 nan 8.310 nan 0.000 0.534 645 D N 1.872 122.279 120.400 0.011 0.000 2.283 645 D HA 0.511 5.151 4.640 -0.000 0.000 0.248 645 D C -0.036 176.259 176.300 -0.007 0.000 1.072 645 D CA -0.001 54.003 54.000 0.006 0.000 0.929 645 D CB 0.870 41.675 40.800 0.007 0.000 1.182 645 D HN 0.474 nan 8.370 nan 0.000 0.433 646 M N -1.418 118.172 119.600 -0.017 0.000 2.421 646 M HA 0.412 4.892 4.480 -0.000 0.000 0.287 646 M C -1.171 175.105 176.300 -0.040 0.000 1.183 646 M CA -0.844 54.438 55.300 -0.030 0.000 0.916 646 M CB 2.111 34.687 32.600 -0.040 0.000 1.701 646 M HN -0.121 nan 8.290 nan 0.000 0.470 647 T N 2.362 116.890 114.554 -0.042 0.000 2.781 647 T HA 0.469 4.819 4.350 -0.000 0.000 0.305 647 T C -0.002 174.652 174.700 -0.076 0.000 1.001 647 T CA -0.526 61.541 62.100 -0.054 0.000 0.950 647 T CB 0.658 69.504 68.868 -0.035 0.000 0.955 647 T HN 0.505 nan 8.240 nan 0.000 0.471 648 V N 4.356 124.201 119.914 -0.116 0.000 2.555 648 V HA 0.304 4.424 4.120 -0.000 0.000 0.286 648 V C 0.667 176.657 176.094 -0.174 0.000 1.044 648 V CA -0.200 62.011 62.300 -0.148 0.000 1.026 648 V CB 1.001 32.705 31.823 -0.199 0.000 0.981 648 V HN 0.886 nan 8.190 nan 0.000 0.480 649 T N 4.627 119.111 114.554 -0.118 0.000 2.809 649 T HA 0.533 4.883 4.350 -0.000 0.000 0.284 649 T C -0.498 174.180 174.700 -0.037 0.000 0.992 649 T CA -0.363 61.694 62.100 -0.073 0.000 0.957 649 T CB 1.491 70.347 68.868 -0.019 0.000 0.942 649 T HN 0.346 nan 8.240 nan 0.000 0.439 650 V N 4.711 124.633 119.914 0.013 0.000 2.350 650 V HA 0.422 4.542 4.120 -0.000 0.000 0.285 650 V C -0.091 176.122 176.094 0.199 0.000 1.014 650 V CA -0.912 61.454 62.300 0.110 0.000 0.831 650 V CB 1.224 33.151 31.823 0.172 0.000 1.000 650 V HN 0.943 nan 8.190 nan 0.000 0.433 651 E N 4.715 125.005 120.200 0.150 0.000 2.199 651 E HA 0.738 5.088 4.350 -0.000 0.000 0.269 651 E C -1.463 175.247 176.600 0.183 0.000 0.899 651 E CA -0.728 55.756 56.400 0.141 0.000 0.772 651 E CB 2.773 32.517 29.700 0.074 0.000 1.155 651 E HN 0.385 nan 8.360 nan 0.000 0.408 652 F N 1.253 121.181 119.950 -0.036 0.000 2.565 652 F HA 0.475 5.002 4.527 0.000 0.000 0.313 652 F C -1.262 174.488 175.800 -0.084 0.000 1.091 652 F CA -0.603 57.360 58.000 -0.062 0.000 0.915 652 F CB 2.568 41.511 39.000 -0.096 0.000 1.208 652 F HN 0.436 nan 8.300 nan 0.000 0.453 653 T N 4.528 118.486 114.554 -0.994 0.000 2.815 653 T HA 0.177 4.527 4.350 -0.000 0.000 0.289 653 T C -0.652 173.465 174.700 -0.973 0.000 1.000 653 T CA -0.711 60.959 62.100 -0.716 0.000 0.958 653 T CB 0.637 69.270 68.868 -0.390 0.000 0.944 653 T HN 0.557 nan 8.240 nan 0.000 0.442 654 N N 5.369 123.699 118.700 -0.616 0.000 2.418 654 N HA 0.018 4.758 4.740 -0.000 0.000 0.277 654 N C -1.130 174.237 175.510 -0.239 0.000 1.317 654 N CA -1.753 51.091 53.050 -0.344 0.000 0.922 654 N CB 0.928 39.339 38.487 -0.126 0.000 1.194 654 N HN 0.282 nan 8.380 nan 0.000 0.485 655 P HA -0.061 nan 4.420 nan 0.000 0.221 655 P C 0.533 177.810 177.300 -0.037 0.000 1.155 655 P CA 0.638 63.680 63.100 -0.097 0.000 0.812 655 P CB 0.441 32.111 31.700 -0.050 0.000 0.801 656 L N -0.415 120.802 121.223 -0.010 0.000 2.474 656 L HA 0.120 4.460 4.340 -0.000 0.000 0.259 656 L C 1.454 178.319 176.870 -0.010 0.000 1.232 656 L CA -0.079 54.765 54.840 0.006 0.000 0.821 656 L CB -0.184 41.892 42.059 0.027 0.000 1.108 656 L HN -0.302 nan 8.230 nan 0.000 0.495 657 K N -0.028 120.369 120.400 -0.006 0.000 2.446 657 K HA 0.096 4.416 4.320 -0.000 0.000 0.203 657 K C -0.462 176.133 176.600 -0.008 0.000 1.027 657 K CA 0.020 56.300 56.287 -0.011 0.000 1.166 657 K CB 0.087 32.581 32.500 -0.011 0.000 0.869 657 K HN 0.613 nan 8.250 nan 0.000 0.504 658 E N -1.698 118.501 120.200 -0.002 0.000 2.359 658 E HA 0.339 4.689 4.350 -0.000 0.000 0.266 658 E C -0.876 175.728 176.600 0.006 0.000 0.920 658 E CA -1.139 55.263 56.400 0.002 0.000 0.788 658 E CB 0.869 30.572 29.700 0.006 0.000 1.279 658 E HN 0.002 nan 8.360 nan 0.000 0.438 659 T N 0.211 114.769 114.554 0.007 0.000 2.814 659 T HA 0.319 4.669 4.350 -0.000 0.000 0.297 659 T C 0.297 175.010 174.700 0.020 0.000 0.956 659 T CA -0.666 61.439 62.100 0.009 0.000 1.123 659 T CB 0.103 68.975 68.868 0.006 0.000 0.902 659 T HN 0.341 nan 8.240 nan 0.000 0.528 660 L N 3.734 124.974 121.223 0.029 0.000 2.312 660 L HA 0.515 4.855 4.340 -0.000 0.000 0.281 660 L C 0.887 177.772 176.870 0.026 0.000 1.070 660 L CA -0.800 54.066 54.840 0.042 0.000 0.805 660 L CB 0.903 43.007 42.059 0.076 0.000 1.174 660 L HN 0.646 nan 8.230 nan 0.000 0.434 661 R N 2.696 123.211 120.500 0.024 0.000 2.740 661 R HA 0.372 4.712 4.340 -0.000 0.000 0.282 661 R C -0.420 175.881 176.300 0.001 0.000 0.969 661 R CA -1.058 55.049 56.100 0.011 0.000 0.918 661 R CB 1.237 31.545 30.300 0.013 0.000 1.175 661 R HN 0.572 nan 8.270 nan 0.000 0.464 662 N N -0.103 118.573 118.700 -0.040 0.000 2.714 662 N HA -0.137 4.603 4.740 -0.000 0.000 0.253 662 N C -0.761 174.676 175.510 -0.122 0.000 1.024 662 N CA 0.608 53.592 53.050 -0.111 0.000 0.726 662 N CB -1.158 37.316 38.487 -0.022 0.000 0.908 662 N HN 0.300 nan 8.380 nan 0.000 0.542 663 V N 0.190 120.046 119.914 -0.097 0.000 2.439 663 V HA 0.070 4.190 4.120 -0.000 0.000 0.271 663 V C 0.718 176.766 176.094 -0.077 0.000 1.040 663 V CA -0.316 61.962 62.300 -0.037 0.000 1.002 663 V CB 0.045 31.853 31.823 -0.027 0.000 1.000 663 V HN 0.236 nan 8.190 nan 0.000 0.477 664 W N 4.232 125.543 121.300 0.018 0.000 2.316 664 W HA 0.524 5.184 4.660 0.000 0.000 0.339 664 W C -0.077 176.482 176.519 0.067 0.000 1.002 664 W CA -0.501 56.850 57.345 0.010 0.000 1.465 664 W CB 1.205 30.687 29.460 0.036 0.000 1.300 664 W HN 0.375 nan 8.180 nan 0.000 0.378 665 V N 4.166 124.216 119.914 0.226 0.000 2.732 665 V HA 0.214 4.334 4.120 -0.000 0.000 0.297 665 V C 0.410 176.664 176.094 0.266 0.000 1.060 665 V CA -0.395 62.042 62.300 0.230 0.000 1.038 665 V CB 0.515 32.483 31.823 0.243 0.000 1.003 665 V HN 0.387 nan 8.190 nan 0.000 0.481 666 H N 3.244 122.458 119.070 0.240 0.000 2.747 666 H HA 0.687 5.243 4.556 -0.000 0.000 0.371 666 H C -1.256 174.292 175.328 0.365 0.000 1.161 666 H CA -0.800 55.413 56.048 0.275 0.000 1.167 666 H CB 2.600 32.437 29.762 0.125 0.000 1.732 666 H HN 0.400 nan 8.280 nan 0.000 0.544 667 L N 2.075 123.556 121.223 0.430 0.000 2.445 667 L HA 0.429 4.769 4.340 -0.000 0.000 0.262 667 L C -1.308 175.641 176.870 0.132 0.000 0.974 667 L CA -0.284 54.684 54.840 0.213 0.000 0.822 667 L CB 2.036 44.103 42.059 0.014 0.000 1.339 667 L HN 0.751 nan 8.230 nan 0.000 0.409 668 D N 1.764 122.193 120.400 0.048 0.000 2.713 668 D HA 0.802 5.442 4.640 -0.000 0.000 0.306 668 D C -1.192 175.079 176.300 -0.048 0.000 1.299 668 D CA 0.512 54.518 54.000 0.011 0.000 0.823 668 D CB 2.439 43.236 40.800 -0.005 0.000 1.353 668 D HN 0.870 nan 8.370 nan 0.000 0.447 669 G N 1.581 110.338 108.800 -0.073 0.000 2.046 669 G HA2 0.217 4.177 3.960 -0.000 0.000 0.180 669 G HA3 0.217 4.177 3.960 -0.000 0.000 0.180 669 G C -3.072 171.738 174.900 -0.151 0.000 1.990 669 G CA -0.822 44.206 45.100 -0.121 0.000 0.997 669 G HN 0.302 nan 8.290 nan 0.000 0.592 670 P HA 0.343 nan 4.420 nan 0.000 0.267 670 P C 1.202 178.320 177.300 -0.303 0.000 1.209 670 P CA 1.708 64.742 63.100 -0.109 0.000 0.763 670 P CB 1.220 32.909 31.700 -0.019 0.000 0.816 671 G N 1.907 110.293 108.800 -0.689 0.000 2.194 671 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.236 671 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.236 671 G C 0.512 174.553 174.900 -1.432 0.000 0.987 671 G CA 0.145 44.462 45.100 -1.306 0.000 0.635 671 G HN 0.421 nan 8.290 nan 0.000 0.520 672 V N -0.733 118.633 119.914 -0.912 0.000 3.090 672 V HA 0.527 4.647 4.120 -0.000 0.000 0.237 672 V C 1.003 176.940 176.094 -0.263 0.000 1.209 672 V CA 1.996 63.999 62.300 -0.496 0.000 1.209 672 V CB 1.255 32.904 31.823 -0.290 0.000 0.971 672 V HN 0.814 nan 8.190 nan 0.000 0.477 673 T N -0.859 113.596 114.554 -0.165 0.000 2.769 673 T HA 0.565 4.915 4.350 -0.000 0.000 0.306 673 T C -1.613 173.220 174.700 0.221 0.000 1.400 673 T CA -0.536 61.641 62.100 0.128 0.000 1.007 673 T CB 2.072 70.964 68.868 0.040 0.000 1.392 673 T HN 0.087 nan 8.240 nan 0.000 0.500 674 R N 2.051 122.706 120.500 0.259 0.000 2.486 674 R HA 0.609 4.949 4.340 -0.000 0.000 0.286 674 R C -2.358 174.028 176.300 0.144 0.000 0.999 674 R CA -2.022 54.209 56.100 0.218 0.000 0.993 674 R CB 0.891 31.299 30.300 0.180 0.000 1.084 674 R HN 0.419 nan 8.270 nan 0.000 0.487 675 P HA -0.034 nan 4.420 nan 0.000 0.260 675 P C -0.922 176.460 177.300 0.138 0.000 1.185 675 P CA 0.827 64.002 63.100 0.125 0.000 0.763 675 P CB 0.444 32.217 31.700 0.121 0.000 0.776 676 M N 3.416 123.121 119.600 0.175 0.000 2.662 676 M HA 0.546 5.026 4.480 -0.000 0.000 0.310 676 M C 0.164 176.593 176.300 0.215 0.000 1.204 676 M CA -0.729 54.695 55.300 0.208 0.000 0.891 676 M CB 2.909 35.687 32.600 0.297 0.000 1.732 676 M HN 0.192 nan 8.290 nan 0.000 0.467 677 K N 0.657 121.114 120.400 0.095 0.000 2.535 677 K HA 0.607 4.927 4.320 -0.000 0.000 0.251 677 K C -1.660 174.878 176.600 -0.105 0.000 0.942 677 K CA -1.119 55.108 56.287 -0.100 0.000 0.798 677 K CB 2.589 34.821 32.500 -0.446 0.000 1.267 677 K HN 0.346 nan 8.250 nan 0.000 0.434 678 K N 3.300 123.413 120.400 -0.479 0.000 2.281 678 K HA 0.482 4.802 4.320 -0.000 0.000 0.242 678 K C -1.253 174.940 176.600 -0.678 0.000 0.971 678 K CA -0.820 55.019 56.287 -0.746 0.000 0.834 678 K CB 1.957 33.485 32.500 -1.621 0.000 1.181 678 K HN 0.898 nan 8.250 nan 0.000 0.435 679 M N 3.202 122.246 119.600 -0.927 0.000 2.393 679 M HA 0.404 4.884 4.480 -0.000 0.000 0.299 679 M C -1.700 174.118 176.300 -0.803 0.000 1.103 679 M CA -0.652 54.020 55.300 -1.046 0.000 0.910 679 M CB 1.177 32.759 32.600 -1.696 0.000 1.659 679 M HN 0.402 nan 8.290 nan 0.000 0.445 680 F N 3.499 123.166 119.950 -0.472 0.000 2.444 680 F HA 0.494 5.021 4.527 -0.000 0.000 0.342 680 F C 1.290 176.939 175.800 -0.252 0.000 1.121 680 F CA -0.779 57.048 58.000 -0.288 0.000 0.997 680 F CB 0.997 39.886 39.000 -0.185 0.000 1.130 680 F HN 0.577 nan 8.300 nan 0.000 0.454 681 R N 1.619 122.088 120.500 -0.052 0.000 2.139 681 R HA -0.122 4.218 4.340 -0.000 0.000 0.243 681 R C 0.064 176.353 176.300 -0.019 0.000 1.145 681 R CA 1.175 57.238 56.100 -0.062 0.000 0.976 681 R CB -0.800 29.469 30.300 -0.051 0.000 0.866 681 R HN 0.929 nan 8.270 nan 0.000 0.449 682 E N -1.584 118.630 120.200 0.023 0.000 2.411 682 E HA 0.365 4.715 4.350 -0.000 0.000 0.279 682 E C -1.238 175.376 176.600 0.023 0.000 1.132 682 E CA -0.668 55.742 56.400 0.018 0.000 0.876 682 E CB 0.645 30.350 29.700 0.008 0.000 1.335 682 E HN -0.057 nan 8.360 nan 0.000 0.436 683 I N 0.876 121.449 120.570 0.006 0.000 2.571 683 I HA 0.410 4.580 4.170 -0.000 0.000 0.289 683 I C -0.222 175.889 176.117 -0.010 0.000 1.115 683 I CA -1.159 60.133 61.300 -0.014 0.000 1.045 683 I CB 1.793 39.775 38.000 -0.030 0.000 1.238 683 I HN 0.372 nan 8.210 nan 0.000 0.424 684 R N 5.284 125.774 120.500 -0.016 0.000 2.726 684 R HA 0.382 4.722 4.340 -0.000 0.000 0.272 684 R C -2.363 173.921 176.300 -0.027 0.000 1.097 684 R CA -1.824 54.267 56.100 -0.016 0.000 1.198 684 R CB -0.185 30.106 30.300 -0.014 0.000 1.114 684 R HN 0.295 nan 8.270 nan 0.000 0.550 685 P HA -0.040 nan 4.420 nan 0.000 0.271 685 P C -0.476 176.794 177.300 -0.050 0.000 1.218 685 P CA 0.022 63.102 63.100 -0.033 0.000 0.780 685 P CB 0.374 32.061 31.700 -0.022 0.000 0.901 686 N N -1.276 117.382 118.700 -0.071 0.000 2.713 686 N HA -0.118 4.622 4.740 -0.000 0.000 0.251 686 N C -0.275 175.180 175.510 -0.093 0.000 1.117 686 N CA 0.590 53.589 53.050 -0.084 0.000 0.770 686 N CB -1.023 37.430 38.487 -0.056 0.000 1.137 686 N HN 0.431 nan 8.380 nan 0.000 0.566 687 S N -0.310 115.329 115.700 -0.101 0.000 2.693 687 S HA 0.600 5.070 4.470 -0.000 0.000 0.276 687 S C 0.469 174.985 174.600 -0.140 0.000 1.192 687 S CA -0.206 57.937 58.200 -0.094 0.000 0.994 687 S CB 2.178 65.337 63.200 -0.069 0.000 1.012 687 S HN 0.147 nan 8.310 nan 0.000 0.550 688 T N 1.128 115.615 114.554 -0.111 0.000 2.903 688 T HA 0.659 5.009 4.350 -0.000 0.000 0.299 688 T C -0.823 173.824 174.700 -0.087 0.000 1.093 688 T CA -0.718 61.307 62.100 -0.125 0.000 1.002 688 T CB 1.526 70.337 68.868 -0.095 0.000 1.127 688 T HN 0.630 nan 8.240 nan 0.000 0.488 689 V N 0.045 119.901 119.914 -0.096 0.000 2.876 689 V HA 0.754 4.874 4.120 -0.000 0.000 0.312 689 V C -1.236 174.884 176.094 0.044 0.000 1.085 689 V CA -0.912 61.343 62.300 -0.075 0.000 0.945 689 V CB 2.047 33.627 31.823 -0.405 0.000 1.017 689 V HN 0.864 nan 8.190 nan 0.000 0.428 690 Q N 2.139 122.038 119.800 0.164 0.000 2.377 690 Q HA 0.519 4.859 4.340 -0.000 0.000 0.271 690 Q C -2.004 174.247 176.000 0.419 0.000 1.077 690 Q CA -0.500 55.440 55.803 0.229 0.000 0.820 690 Q CB 3.099 31.927 28.738 0.149 0.000 1.347 690 Q HN 0.905 nan 8.270 nan 0.000 0.444 691 W N 3.605 125.009 121.300 0.174 0.000 2.563 691 W HA 0.308 4.968 4.660 -0.000 0.000 0.301 691 W C -1.196 175.381 176.519 0.096 0.000 1.006 691 W CA -0.643 56.806 57.345 0.173 0.000 1.382 691 W CB 0.881 30.494 29.460 0.254 0.000 1.262 691 W HN 0.443 nan 8.180 nan 0.000 0.403 692 E N 3.607 123.888 120.200 0.136 0.000 2.313 692 E HA 0.301 4.651 4.350 -0.000 0.000 0.276 692 E C -0.370 176.135 176.600 -0.158 0.000 1.031 692 E CA 0.005 56.383 56.400 -0.035 0.000 0.857 692 E CB 1.499 31.221 29.700 0.037 0.000 1.040 692 E HN 0.299 nan 8.360 nan 0.000 0.408 693 E N 1.232 121.287 120.200 -0.242 0.000 2.311 693 E HA 0.233 4.583 4.350 -0.000 0.000 0.281 693 E C -1.186 175.331 176.600 -0.138 0.000 0.905 693 E CA -0.636 55.627 56.400 -0.228 0.000 0.778 693 E CB 2.291 31.705 29.700 -0.477 0.000 1.240 693 E HN 0.090 nan 8.360 nan 0.000 0.410 694 V N 3.159 123.035 119.914 -0.062 0.000 2.385 694 V HA 0.244 4.364 4.120 -0.000 0.000 0.269 694 V C 0.325 176.404 176.094 -0.024 0.000 1.043 694 V CA -0.380 61.898 62.300 -0.036 0.000 0.906 694 V CB 0.732 32.550 31.823 -0.008 0.000 0.995 694 V HN 0.711 nan 8.190 nan 0.000 0.467 695 C N 4.720 124.002 119.300 -0.031 0.000 2.399 695 C HA 0.630 5.090 4.460 -0.000 0.000 0.348 695 C C 0.689 175.692 174.990 0.021 0.000 1.183 695 C CA -0.808 58.206 59.018 -0.005 0.000 2.023 695 C CB 1.469 29.184 27.740 -0.042 0.000 2.361 695 C HN 0.912 nan 8.230 nan 0.000 0.521 696 R N 2.044 122.587 120.500 0.072 0.000 2.564 696 R HA 0.243 4.583 4.340 -0.000 0.000 0.282 696 R C -2.522 173.860 176.300 0.136 0.000 1.573 696 R CA -1.110 55.047 56.100 0.095 0.000 1.588 696 R CB 0.654 31.023 30.300 0.115 0.000 1.154 696 R HN 0.580 nan 8.270 nan 0.000 0.606 697 P HA -0.144 nan 4.420 nan 0.000 0.253 697 P C -0.255 177.063 177.300 0.030 0.000 1.159 697 P CA 0.391 63.454 63.100 -0.062 0.000 0.779 697 P CB 0.075 31.725 31.700 -0.084 0.000 0.745 698 W N 3.688 124.988 121.300 0.000 0.000 3.220 698 W HA 0.421 5.081 4.660 -0.000 0.000 0.328 698 W C -1.012 175.513 176.519 0.009 0.000 1.205 698 W CA -0.423 56.927 57.345 0.008 0.000 1.773 698 W CB -0.210 29.259 29.460 0.016 0.000 1.086 698 W HN -0.093 nan 8.180 nan 0.000 0.622 699 V N 2.656 122.387 119.914 -0.305 0.000 2.769 699 V HA 0.530 4.650 4.120 -0.000 0.000 0.312 699 V C 0.057 176.079 176.094 -0.120 0.000 1.061 699 V CA -0.892 61.299 62.300 -0.181 0.000 0.931 699 V CB 1.804 33.468 31.823 -0.265 0.000 1.010 699 V HN 0.106 nan 8.190 nan 0.000 0.433 700 S N 1.995 117.663 115.700 -0.054 0.000 2.454 700 S HA 0.974 5.444 4.470 -0.000 0.000 0.306 700 S C 0.061 174.646 174.600 -0.026 0.000 1.100 700 S CA 0.156 58.334 58.200 -0.037 0.000 1.087 700 S CB 1.547 64.742 63.200 -0.007 0.000 1.019 700 S HN 1.971 nan 8.310 nan 0.000 0.480 701 G N 1.573 110.358 108.800 -0.026 0.000 2.236 701 G HA2 0.010 3.970 3.960 -0.000 0.000 0.231 701 G HA3 0.010 3.970 3.960 -0.000 0.000 0.231 701 G C -0.975 173.930 174.900 0.008 0.000 1.334 701 G CA -0.740 44.364 45.100 0.007 0.000 1.137 701 G HN 1.136 nan 8.290 nan 0.000 0.482 702 H N 2.291 121.341 119.070 -0.033 0.000 3.015 702 H HA 0.513 5.069 4.556 -0.000 0.000 0.268 702 H C 0.351 175.651 175.328 -0.047 0.000 1.113 702 H CA 0.203 56.229 56.048 -0.035 0.000 1.479 702 H CB 0.156 29.903 29.762 -0.024 0.000 1.493 702 H HN 0.419 nan 8.280 nan 0.000 0.486 703 R N 3.362 123.575 120.500 -0.478 0.000 2.867 703 R HA 0.473 4.813 4.340 -0.000 0.000 0.227 703 R C -0.595 175.399 176.300 -0.511 0.000 1.372 703 R CA -0.923 54.947 56.100 -0.384 0.000 1.083 703 R CB 1.149 31.289 30.300 -0.266 0.000 1.596 703 R HN 0.711 nan 8.270 nan 0.000 0.522 704 K N 0.239 120.461 120.400 -0.297 0.000 2.583 704 K HA 0.327 4.647 4.320 -0.000 0.000 0.260 704 K C -1.486 175.021 176.600 -0.154 0.000 0.931 704 K CA -0.445 55.710 56.287 -0.221 0.000 0.849 704 K CB 1.262 33.668 32.500 -0.156 0.000 1.347 704 K HN 0.371 nan 8.250 nan 0.000 0.425 705 L N 4.141 125.291 121.223 -0.122 0.000 2.387 705 L HA 0.639 4.979 4.340 -0.000 0.000 0.266 705 L C -0.311 176.520 176.870 -0.064 0.000 1.059 705 L CA -1.121 53.661 54.840 -0.097 0.000 0.801 705 L CB 1.214 43.218 42.059 -0.093 0.000 1.223 705 L HN 0.576 nan 8.230 nan 0.000 0.456 706 I N 0.885 121.430 120.570 -0.042 0.000 2.644 706 I HA 0.587 4.757 4.170 -0.000 0.000 0.291 706 I C -0.665 175.480 176.117 0.047 0.000 1.180 706 I CA -0.200 61.096 61.300 -0.007 0.000 1.040 706 I CB 2.150 40.127 38.000 -0.038 0.000 1.255 706 I HN 0.634 nan 8.210 nan 0.000 0.422 707 A N 3.876 126.749 122.820 0.090 0.000 2.430 707 A HA 0.986 5.306 4.320 -0.000 0.000 0.300 707 A C -0.721 176.952 177.584 0.147 0.000 1.124 707 A CA -0.463 51.658 52.037 0.141 0.000 0.766 707 A CB 2.015 21.096 19.000 0.136 0.000 1.328 707 A HN 0.733 nan 8.150 nan 0.000 0.424 708 S N 0.894 116.662 115.700 0.113 0.000 2.570 708 S HA 0.771 5.241 4.470 -0.000 0.000 0.270 708 S C -0.984 173.525 174.600 -0.152 0.000 1.149 708 S CA -0.575 57.578 58.200 -0.078 0.000 0.837 708 S CB 1.736 64.900 63.200 -0.060 0.000 1.124 708 S HN 1.220 nan 8.310 nan 0.000 0.465 709 M N 2.258 121.632 119.600 -0.375 0.000 2.501 709 M HA 0.712 5.191 4.480 -0.000 0.000 0.293 709 M C -1.612 174.502 176.300 -0.311 0.000 1.192 709 M CA -0.170 54.931 55.300 -0.332 0.000 0.886 709 M CB 2.021 34.245 32.600 -0.628 0.000 1.710 709 M HN 1.058 nan 8.290 nan 0.000 0.457 710 S N 2.246 117.859 115.700 -0.144 0.000 2.584 710 S HA 0.733 5.203 4.470 -0.000 0.000 0.280 710 S C -1.167 173.462 174.600 0.050 0.000 1.162 710 S CA -0.182 57.977 58.200 -0.067 0.000 0.951 710 S CB 1.236 64.389 63.200 -0.079 0.000 1.108 710 S HN 0.949 nan 8.310 nan 0.000 0.464 711 S N 3.067 118.792 115.700 0.042 0.000 2.851 711 S HA 0.594 5.064 4.470 -0.000 0.000 0.317 711 S C -0.077 174.578 174.600 0.092 0.000 1.144 711 S CA -0.566 57.681 58.200 0.078 0.000 0.862 711 S CB 0.813 64.036 63.200 0.038 0.000 1.259 711 S HN 0.484 nan 8.310 nan 0.000 0.564 712 D N 0.891 121.342 120.400 0.085 0.000 2.269 712 D HA 0.080 4.720 4.640 -0.000 0.000 0.208 712 D C 1.681 178.021 176.300 0.066 0.000 0.963 712 D CA 1.539 55.586 54.000 0.079 0.000 0.864 712 D CB -0.071 40.768 40.800 0.064 0.000 0.936 712 D HN 0.525 nan 8.370 nan 0.000 0.505 713 S N -0.238 115.498 115.700 0.059 0.000 2.696 713 S HA 0.142 4.612 4.470 -0.000 0.000 0.172 713 S C 0.547 175.184 174.600 0.062 0.000 0.767 713 S CA -0.533 57.700 58.200 0.055 0.000 0.856 713 S CB -0.209 63.021 63.200 0.049 0.000 0.782 713 S HN 0.109 nan 8.310 nan 0.000 0.582 714 L N 2.828 124.088 121.223 0.063 0.000 2.426 714 L HA 0.560 4.900 4.340 -0.000 0.000 0.271 714 L C 0.024 176.911 176.870 0.029 0.000 1.169 714 L CA 0.261 55.139 54.840 0.064 0.000 0.836 714 L CB 0.254 42.372 42.059 0.097 0.000 1.112 714 L HN 0.599 nan 8.230 nan 0.000 0.465 715 R N 2.355 122.873 120.500 0.031 0.000 2.728 715 R HA 0.237 4.577 4.340 -0.000 0.000 0.274 715 R C -0.751 175.572 176.300 0.038 0.000 1.030 715 R CA -0.575 55.524 56.100 -0.002 0.000 0.876 715 R CB 0.535 30.871 30.300 0.059 0.000 1.259 715 R HN 0.824 nan 8.270 nan 0.000 0.468 716 H N -0.399 118.543 119.070 -0.213 0.000 2.933 716 H HA -0.092 4.464 4.556 -0.000 0.000 0.301 716 H C -1.763 173.341 175.328 -0.374 0.000 1.280 716 H CA 0.945 56.839 56.048 -0.257 0.000 1.155 716 H CB -0.597 29.149 29.762 -0.027 0.000 1.379 716 H HN 0.151 nan 8.280 nan 0.000 0.419 717 V N 2.769 122.294 119.914 -0.647 0.000 2.378 717 V HA 0.389 4.509 4.120 -0.000 0.000 0.288 717 V C -0.097 175.574 176.094 -0.706 0.000 1.016 717 V CA -0.383 61.648 62.300 -0.449 0.000 0.840 717 V CB 1.287 32.948 31.823 -0.269 0.000 0.994 717 V HN 0.237 nan 8.190 nan 0.000 0.431 718 Y N 2.262 122.514 120.300 -0.079 0.000 2.730 718 Y HA 0.954 5.504 4.550 -0.000 0.000 0.325 718 Y C 0.776 176.671 175.900 -0.009 0.000 1.132 718 Y CA -0.630 57.428 58.100 -0.069 0.000 1.206 718 Y CB 2.128 40.526 38.460 -0.103 0.000 1.390 718 Y HN 0.728 nan 8.280 nan 0.000 0.555 719 G N -0.257 108.659 108.800 0.193 0.000 2.579 719 G HA2 0.559 4.519 3.960 -0.000 0.000 0.292 719 G HA3 0.559 4.519 3.960 -0.000 0.000 0.292 719 G C -2.052 172.892 174.900 0.073 0.000 1.484 719 G CA -0.989 44.178 45.100 0.112 0.000 0.813 719 G HN 0.729 nan 8.290 nan 0.000 0.515 720 E N -0.676 119.547 120.200 0.038 0.000 2.401 720 E HA 0.710 5.060 4.350 -0.000 0.000 0.280 720 E C -2.056 174.541 176.600 -0.005 0.000 1.039 720 E CA -1.108 55.296 56.400 0.007 0.000 0.814 720 E CB 2.224 31.918 29.700 -0.009 0.000 1.275 720 E HN 0.675 nan 8.360 nan 0.000 0.448 721 L N 1.164 122.371 121.223 -0.026 0.000 2.472 721 L HA 0.503 4.843 4.340 -0.000 0.000 0.260 721 L C -1.813 175.021 176.870 -0.060 0.000 0.963 721 L CA -0.890 53.929 54.840 -0.034 0.000 0.829 721 L CB 2.233 44.268 42.059 -0.041 0.000 1.348 721 L HN 0.671 nan 8.230 nan 0.000 0.408 722 D N 2.973 123.344 120.400 -0.049 0.000 2.329 722 D HA 0.445 5.085 4.640 -0.000 0.000 0.232 722 D C -0.459 175.770 176.300 -0.118 0.000 1.088 722 D CA 0.121 54.067 54.000 -0.090 0.000 0.835 722 D CB 1.995 42.818 40.800 0.039 0.000 1.078 722 D HN 0.308 nan 8.370 nan 0.000 0.495 723 V N 0.874 120.664 119.914 -0.206 0.000 2.732 723 V HA 0.661 4.781 4.120 -0.000 0.000 0.310 723 V C -0.403 175.588 176.094 -0.170 0.000 1.053 723 V CA -0.892 61.314 62.300 -0.157 0.000 0.957 723 V CB 2.004 33.740 31.823 -0.145 0.000 1.018 723 V HN 0.198 nan 8.190 nan 0.000 0.452 724 Q N 2.837 122.582 119.800 -0.091 0.000 2.381 724 Q HA 0.647 4.987 4.340 -0.000 0.000 0.263 724 Q C -1.225 174.742 176.000 -0.054 0.000 1.030 724 Q CA -0.191 55.580 55.803 -0.054 0.000 0.772 724 Q CB 1.006 29.736 28.738 -0.013 0.000 1.232 724 Q HN 0.864 nan 8.270 nan 0.000 0.476 725 I N 4.189 124.722 120.570 -0.063 0.000 2.404 725 I HA 0.431 4.601 4.170 -0.000 0.000 0.293 725 I C 0.070 176.167 176.117 -0.033 0.000 0.992 725 I CA -0.709 60.558 61.300 -0.055 0.000 1.149 725 I CB 1.468 39.419 38.000 -0.081 0.000 1.315 725 I HN 0.592 nan 8.210 nan 0.000 0.446 726 Q N 6.092 125.880 119.800 -0.021 0.000 2.668 726 Q HA 0.597 4.937 4.340 -0.000 0.000 0.298 726 Q C -0.833 175.164 176.000 -0.004 0.000 1.071 726 Q CA -1.044 54.753 55.803 -0.010 0.000 0.789 726 Q CB 1.541 30.276 28.738 -0.006 0.000 1.497 726 Q HN 0.384 nan 8.270 nan 0.000 0.460 727 R N 0.000 120.501 120.500 0.002 0.000 2.786 727 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 727 R CA 0.000 56.104 56.100 0.006 0.000 0.921 727 R CB 0.000 30.305 30.300 0.008 0.000 0.687 727 R HN 0.000 nan 8.270 nan 0.000 0.535