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 3gnr_1_A DATA FIRST_RESID 11 DATA SEQUENCE GLTRGSFPEG FVFGTASAAY QYEGAVKEDG RGQTIWDTFA HTFGKITDFS DATA SEQUENCE NADVAVDQYH RFEEDIQLMA DMGMDAYRFS IAWSRIYPNG VGQVNQAGID DATA SEQUENCE HYNKLIDALL AKGIQPYVTL YHWDLPQALE DKYKGWLDRQ IVDDFAAYAE DATA SEQUENCE TCFREFGDRV KHWITLNEPH TVAIQGYDAG LQAPGRcSVL LHLYcKAGNS DATA SEQUENCE GTEPYVVAHH FILAHAAAAS IYRTKYKATQ NGQLGIAFDV MWFEPMSNTT DATA SEQUENCE IDIEAAKRAQ EFQLGWFADP FFFGDYPATM RARVGERLPR FTADEAAVVK DATA SEQUENCE GALDFVGINH YTTYYTRHNN TNIIGTLLNN TLADTGTVSL PFKNGKPIGD DATA SEQUENCE RANSIWLYIV PRGMRSLMNY VKERYNSPPV YITENGMDDS NNPFISIKDA DATA SEQUENCE LKDSKRIKYH NDYLTNLAAS IKEDGCDVRG YFAWSLLDNW EWAAGYSSRF DATA SEQUENCE GLYFVDYKDN LKRYPKNSVQ WFKALLKT 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 11 G HA2 0.000 nan 3.960 nan 0.000 0.244 11 G HA3 0.000 4.014 3.960 0.090 0.000 0.244 11 G C 0.000 174.873 174.900 -0.045 0.000 0.946 11 G CA 0.000 45.090 45.100 -0.016 0.000 0.502 12 L N 1.293 122.495 121.223 -0.036 0.000 2.485 12 L HA 0.494 4.888 4.340 0.090 0.000 0.275 12 L C 1.279 178.084 176.870 -0.109 0.000 1.207 12 L CA 0.292 55.102 54.840 -0.049 0.000 0.855 12 L CB 0.870 42.942 42.059 0.023 0.000 1.114 12 L HN 0.865 nan 8.230 nan 0.000 0.485 13 T N -1.161 113.358 114.554 -0.058 0.000 2.804 13 T HA 0.368 4.772 4.350 0.090 0.000 0.290 13 T C 0.865 175.595 174.700 0.050 0.000 1.099 13 T CA -0.959 61.099 62.100 -0.071 0.000 1.011 13 T CB 1.444 70.274 68.868 -0.063 0.000 1.291 13 T HN 0.478 nan 8.240 nan 0.000 0.523 14 R N -0.129 120.389 120.500 0.030 0.000 2.127 14 R HA -0.019 4.376 4.340 0.090 0.000 0.238 14 R C 2.467 178.886 176.300 0.197 0.000 1.134 14 R CA 1.610 57.812 56.100 0.171 0.000 0.975 14 R CB -0.940 29.426 30.300 0.109 0.000 0.865 14 R HN 0.867 nan 8.270 nan 0.000 0.447 15 G N -0.318 108.530 108.800 0.080 0.000 2.498 15 G HA2 -0.192 3.822 3.960 0.090 0.000 0.219 15 G HA3 -0.192 3.822 3.960 0.090 0.000 0.219 15 G C 1.190 176.077 174.900 -0.021 0.000 1.119 15 G CA 0.495 45.616 45.100 0.034 0.000 0.766 15 G HN 0.225 nan 8.290 nan 0.000 0.552 16 S N -0.225 115.445 115.700 -0.050 0.000 2.515 16 S HA 0.234 4.758 4.470 0.090 0.000 0.231 16 S C 0.188 174.416 174.600 -0.621 0.000 0.987 16 S CA 0.254 58.268 58.200 -0.310 0.000 0.936 16 S CB -0.066 62.901 63.200 -0.388 0.000 0.766 16 S HN 0.274 nan 8.310 nan 0.000 0.528 17 F N 0.836 120.697 119.950 -0.148 0.000 2.575 17 F HA 0.501 5.078 4.527 0.083 0.000 0.330 17 F C -2.466 173.267 175.800 -0.113 0.000 1.056 17 F CA -2.793 55.038 58.000 -0.283 0.000 0.964 17 F CB 0.314 38.956 39.000 -0.596 0.000 1.258 17 F HN -0.235 nan 8.300 nan 0.000 0.484 18 P HA 0.045 nan 4.420 nan 0.000 0.268 18 P C -0.899 176.512 177.300 0.185 0.000 1.208 18 P CA -0.200 62.981 63.100 0.134 0.000 0.777 18 P CB 0.390 32.190 31.700 0.167 0.000 0.875 19 E N 0.648 120.925 120.200 0.128 0.000 2.414 19 E HA 0.229 4.633 4.350 0.090 0.000 0.263 19 E C 1.194 177.879 176.600 0.142 0.000 1.000 19 E CA 0.928 57.402 56.400 0.125 0.000 0.914 19 E CB -0.234 29.517 29.700 0.084 0.000 0.948 19 E HN 0.782 nan 8.360 nan 0.000 0.444 20 G N 3.125 112.012 108.800 0.145 0.000 2.176 20 G HA2 -0.330 3.684 3.960 0.090 0.000 0.253 20 G HA3 -0.330 3.684 3.960 0.090 0.000 0.253 20 G C 0.069 175.039 174.900 0.117 0.000 0.979 20 G CA -0.095 45.077 45.100 0.120 0.000 0.641 20 G HN 0.547 nan 8.290 nan 0.000 0.530 21 F N 1.717 121.671 119.950 0.006 0.000 2.608 21 F HA 0.428 5.008 4.527 0.089 0.000 0.380 21 F C 0.795 176.482 175.800 -0.188 0.000 1.083 21 F CA 0.112 58.048 58.000 -0.107 0.000 1.266 21 F CB 0.802 39.740 39.000 -0.103 0.000 1.076 21 F HN 0.039 nan 8.300 nan 0.000 0.574 22 V N 7.823 127.291 119.914 -0.743 0.000 2.383 22 V HA 0.200 4.374 4.120 0.090 0.000 0.275 22 V C -0.323 175.294 176.094 -0.794 0.000 1.036 22 V CA -0.417 61.560 62.300 -0.538 0.000 0.889 22 V CB 0.659 32.228 31.823 -0.423 0.000 0.985 22 V HN 0.511 nan 8.190 nan 0.000 0.459 23 F N 2.981 122.730 119.950 -0.335 0.000 2.443 23 F HA 0.826 5.404 4.527 0.085 0.000 0.335 23 F C 0.772 176.287 175.800 -0.475 0.000 1.104 23 F CA -0.072 57.740 58.000 -0.313 0.000 1.013 23 F CB 2.144 41.102 39.000 -0.071 0.000 1.136 23 F HN 0.627 nan 8.300 nan 0.000 0.470 24 G N 0.429 108.930 108.800 -0.497 0.000 2.721 24 G HA2 0.635 4.649 3.960 0.090 0.000 0.296 24 G HA3 0.635 4.649 3.960 0.090 0.000 0.296 24 G C -1.352 173.472 174.900 -0.126 0.000 1.383 24 G CA -0.744 44.096 45.100 -0.433 0.000 0.788 24 G HN 0.632 nan 8.290 nan 0.000 0.500 25 T N -2.801 111.846 114.554 0.156 0.000 2.916 25 T HA 0.849 5.253 4.350 0.090 0.000 0.292 25 T C -0.270 174.585 174.700 0.257 0.000 1.064 25 T CA -0.123 62.085 62.100 0.181 0.000 1.011 25 T CB 1.913 70.857 68.868 0.126 0.000 1.152 25 T HN 1.781 nan 8.240 nan 0.000 0.510 26 A N 1.043 123.901 122.820 0.063 0.000 2.413 26 A HA 0.956 5.331 4.320 0.090 0.000 0.307 26 A C -0.009 177.292 177.584 -0.472 0.000 1.087 26 A CA -0.557 51.410 52.037 -0.116 0.000 0.750 26 A CB 1.493 20.614 19.000 0.201 0.000 1.296 26 A HN 1.779 nan 8.150 nan 0.000 0.423 27 S N -0.454 114.910 115.700 -0.561 0.000 2.671 27 S HA 0.926 5.450 4.470 0.090 0.000 0.277 27 S C -0.639 173.753 174.600 -0.348 0.000 1.165 27 S CA -0.125 57.544 58.200 -0.884 0.000 0.822 27 S CB 1.491 63.794 63.200 -1.496 0.000 1.150 27 S HN 2.410 nan 8.310 nan 0.000 0.479 28 A N -0.053 122.585 122.820 -0.304 0.000 2.515 28 A HA 0.910 5.284 4.320 0.090 0.000 0.298 28 A C 0.812 178.336 177.584 -0.101 0.000 1.059 28 A CA -0.441 51.381 52.037 -0.359 0.000 0.698 28 A CB 0.910 19.364 19.000 -0.911 0.000 1.289 28 A HN 1.824 nan 8.150 nan 0.000 0.404 29 A N 0.642 123.472 122.820 0.016 0.000 1.865 29 A HA -0.120 4.254 4.320 0.090 0.000 0.217 29 A C 1.813 179.506 177.584 0.181 0.000 1.191 29 A CA 2.348 54.495 52.037 0.185 0.000 0.623 29 A CB -0.965 18.212 19.000 0.295 0.000 0.826 29 A HN 1.356 nan 8.150 nan 0.000 0.444 30 Y N 0.566 120.888 120.300 0.038 0.000 2.352 30 Y HA -0.128 4.476 4.550 0.090 0.000 0.292 30 Y C 2.432 178.259 175.900 -0.122 0.000 1.136 30 Y CA 1.921 60.019 58.100 -0.003 0.000 1.227 30 Y CB -0.208 38.296 38.460 0.074 0.000 0.991 30 Y HN 0.470 nan 8.280 nan 0.000 0.545 31 Q N -2.258 117.440 119.800 -0.170 0.000 2.378 31 Q HA -0.123 4.271 4.340 0.090 0.000 0.205 31 Q C 0.931 176.940 176.000 0.015 0.000 0.954 31 Q CA 1.077 56.779 55.803 -0.169 0.000 0.901 31 Q CB 0.089 28.719 28.738 -0.181 0.000 0.981 31 Q HN 0.533 nan 8.270 nan 0.000 0.483 32 Y N -0.313 119.926 120.300 -0.102 0.000 2.664 32 Y HA 0.110 4.713 4.550 0.088 0.000 0.278 32 Y C 1.832 177.732 175.900 -0.000 0.000 1.130 32 Y CA 0.101 58.191 58.100 -0.017 0.000 1.260 32 Y CB 0.620 39.094 38.460 0.024 0.000 1.369 32 Y HN -0.022 nan 8.280 nan 0.000 0.499 33 E N 0.038 120.336 120.200 0.164 0.000 2.047 33 E HA 0.082 4.486 4.350 0.090 0.000 0.191 33 E C 1.466 178.096 176.600 0.051 0.000 0.987 33 E CA 0.903 57.391 56.400 0.147 0.000 0.799 33 E CB -0.348 29.443 29.700 0.152 0.000 0.752 33 E HN 0.453 nan 8.360 nan 0.000 0.449 34 G N 0.638 109.398 108.800 -0.066 0.000 2.552 34 G HA2 -0.295 3.720 3.960 0.090 0.000 0.265 34 G HA3 -0.295 3.720 3.960 0.090 0.000 0.265 34 G C 0.459 175.275 174.900 -0.140 0.000 1.234 34 G CA 0.356 45.399 45.100 -0.096 0.000 0.944 34 G HN 1.029 nan 8.290 nan 0.000 0.568 35 A N -2.382 120.374 122.820 -0.107 0.000 2.704 35 A HA 0.078 4.452 4.320 0.090 0.000 0.299 35 A C 2.448 179.872 177.584 -0.266 0.000 1.507 35 A CA 2.750 54.651 52.037 -0.226 0.000 0.776 35 A CB -2.151 16.463 19.000 -0.642 0.000 1.027 35 A HN 2.622 nan 8.150 nan 0.000 0.475 36 V N -3.223 116.616 119.914 -0.126 0.000 2.594 36 V HA -0.082 4.092 4.120 0.090 0.000 0.253 36 V C 1.454 177.518 176.094 -0.050 0.000 1.069 36 V CA 2.293 64.560 62.300 -0.054 0.000 1.082 36 V CB -0.530 31.313 31.823 0.032 0.000 0.680 36 V HN 0.603 nan 8.190 nan 0.000 0.469 37 K N 0.432 120.793 120.400 -0.064 0.000 2.514 37 K HA 0.348 4.722 4.320 0.090 0.000 0.207 37 K C 0.320 176.881 176.600 -0.064 0.000 1.035 37 K CA -0.098 56.161 56.287 -0.047 0.000 1.113 37 K CB 0.550 33.033 32.500 -0.028 0.000 0.846 37 K HN 0.652 nan 8.250 nan 0.000 0.491 38 E N 1.328 121.449 120.200 -0.132 0.000 2.242 38 E HA 0.032 4.437 4.350 0.090 0.000 0.275 38 E C -0.674 175.853 176.600 -0.121 0.000 1.002 38 E CA -0.346 55.977 56.400 -0.129 0.000 0.841 38 E CB 0.653 30.231 29.700 -0.203 0.000 1.109 38 E HN 0.084 nan 8.360 nan 0.000 0.394 39 D N 2.890 123.277 120.400 -0.023 0.000 2.751 39 D HA -0.211 4.483 4.640 0.090 0.000 0.233 39 D C 0.576 176.889 176.300 0.021 0.000 1.149 39 D CA 1.467 55.483 54.000 0.027 0.000 0.682 39 D CB -1.337 39.517 40.800 0.090 0.000 1.068 39 D HN 0.893 nan 8.370 nan 0.000 0.429 40 G N 0.113 108.919 108.800 0.010 0.000 2.179 40 G HA2 -0.409 3.606 3.960 0.090 0.000 0.260 40 G HA3 -0.409 3.606 3.960 0.090 0.000 0.260 40 G C 0.416 175.332 174.900 0.027 0.000 0.977 40 G CA 0.489 45.602 45.100 0.023 0.000 0.641 40 G HN 0.637 nan 8.290 nan 0.000 0.533 41 R N 0.999 121.502 120.500 0.005 0.000 2.538 41 R HA 0.391 4.785 4.340 0.090 0.000 0.282 41 R C 1.156 177.476 176.300 0.034 0.000 1.009 41 R CA 0.676 56.791 56.100 0.025 0.000 1.063 41 R CB -0.090 30.198 30.300 -0.021 0.000 0.945 41 R HN 0.396 nan 8.270 nan 0.000 0.414 42 G N 2.656 111.488 108.800 0.054 0.000 2.507 42 G HA2 0.080 4.094 3.960 0.090 0.000 0.271 42 G HA3 0.080 4.094 3.960 0.090 0.000 0.271 42 G C -0.794 174.129 174.900 0.038 0.000 1.189 42 G CA -0.574 44.546 45.100 0.034 0.000 0.859 42 G HN 0.682 nan 8.290 nan 0.000 0.542 43 Q N -0.399 119.413 119.800 0.020 0.000 2.361 43 Q HA 0.381 4.776 4.340 0.090 0.000 0.276 43 Q C 0.736 176.751 176.000 0.026 0.000 1.022 43 Q CA 0.250 56.072 55.803 0.032 0.000 0.898 43 Q CB 0.581 29.324 28.738 0.010 0.000 1.246 43 Q HN 0.693 nan 8.270 nan 0.000 0.410 44 T N 0.302 114.894 114.554 0.063 0.000 2.949 44 T HA 0.369 4.773 4.350 0.090 0.000 0.287 44 T C 1.270 176.001 174.700 0.051 0.000 1.034 44 T CA -0.302 61.830 62.100 0.053 0.000 1.018 44 T CB 0.474 69.401 68.868 0.098 0.000 1.135 44 T HN 0.729 nan 8.240 nan 0.000 0.532 45 I N -2.683 117.911 120.570 0.039 0.000 2.454 45 I HA 0.077 4.301 4.170 0.090 0.000 0.254 45 I C 1.745 177.830 176.117 -0.055 0.000 1.156 45 I CA 0.798 62.082 61.300 -0.026 0.000 1.433 45 I CB -0.426 37.529 38.000 -0.075 0.000 1.082 45 I HN 0.600 nan 8.210 nan 0.000 0.432 46 W N 2.066 123.350 121.300 -0.026 0.000 2.576 46 W HA -0.023 4.692 4.660 0.091 0.000 0.270 46 W C 2.279 178.840 176.519 0.071 0.000 1.255 46 W CA 0.805 58.140 57.345 -0.015 0.000 1.314 46 W CB -0.041 29.214 29.460 -0.341 0.000 1.101 46 W HN 0.141 nan 8.180 nan 0.000 0.595 47 D N -0.503 120.035 120.400 0.231 0.000 2.097 47 D HA -0.160 4.534 4.640 0.090 0.000 0.195 47 D C 1.864 178.384 176.300 0.368 0.000 0.989 47 D CA 2.139 56.368 54.000 0.382 0.000 0.827 47 D CB -0.631 40.325 40.800 0.260 0.000 0.966 47 D HN 0.109 nan 8.370 nan 0.000 0.456 48 T N 0.944 115.633 114.554 0.224 0.000 2.652 48 T HA -0.174 4.231 4.350 0.090 0.000 0.267 48 T C 1.752 176.588 174.700 0.227 0.000 1.039 48 T CA 0.742 62.952 62.100 0.183 0.000 1.153 48 T CB -0.555 68.372 68.868 0.098 0.000 0.863 48 T HN 0.062 nan 8.240 nan 0.000 0.428 49 F N 2.112 122.072 119.950 0.016 0.000 2.069 49 F HA -0.034 4.547 4.527 0.089 0.000 0.298 49 F C 2.532 178.412 175.800 0.133 0.000 1.113 49 F CA 1.049 59.022 58.000 -0.046 0.000 1.214 49 F CB -0.735 38.039 39.000 -0.377 0.000 0.978 49 F HN 0.147 nan 8.300 nan 0.000 0.474 50 A N -1.558 121.510 122.820 0.414 0.000 2.070 50 A HA -0.187 4.187 4.320 0.090 0.000 0.220 50 A C 1.599 179.186 177.584 0.005 0.000 1.159 50 A CA 1.506 53.737 52.037 0.323 0.000 0.656 50 A CB -0.981 18.250 19.000 0.386 0.000 0.800 50 A HN 0.604 nan 8.150 nan 0.000 0.453 51 H N -0.581 118.577 119.070 0.146 0.000 2.505 51 H HA 0.159 4.770 4.556 0.091 0.000 0.289 51 H C -0.523 174.852 175.328 0.078 0.000 1.052 51 H CA 0.360 56.473 56.048 0.109 0.000 1.156 51 H CB 0.213 30.037 29.762 0.102 0.000 1.507 51 H HN 0.264 nan 8.280 nan 0.000 0.548 52 T N 1.320 115.921 114.554 0.078 0.000 2.797 52 T HA 0.102 4.506 4.350 0.090 0.000 0.279 52 T C -0.284 174.421 174.700 0.008 0.000 0.991 52 T CA -0.628 61.496 62.100 0.041 0.000 0.979 52 T CB 1.329 70.170 68.868 -0.045 0.000 0.943 52 T HN 0.096 nan 8.240 nan 0.000 0.444 53 F N 2.813 122.760 119.950 -0.005 0.000 2.623 53 F HA 0.356 4.938 4.527 0.092 0.000 0.383 53 F C 1.371 177.148 175.800 -0.039 0.000 1.077 53 F CA 1.402 59.410 58.000 0.015 0.000 1.268 53 F CB -0.120 38.905 39.000 0.041 0.000 1.053 53 F HN 0.848 nan 8.300 nan 0.000 0.571 54 G N 4.295 112.338 108.800 -1.262 0.000 2.217 54 G HA2 -0.294 3.720 3.960 0.090 0.000 0.246 54 G HA3 -0.294 3.720 3.960 0.090 0.000 0.246 54 G C 1.118 175.631 174.900 -0.645 0.000 0.990 54 G CA 0.288 44.704 45.100 -1.139 0.000 0.627 54 G HN 0.566 nan 8.290 nan 0.000 0.522 55 K N -0.157 119.894 120.400 -0.583 0.000 2.262 55 K HA 0.331 4.705 4.320 0.090 0.000 0.200 55 K C 1.035 177.398 176.600 -0.395 0.000 1.049 55 K CA 0.624 56.497 56.287 -0.690 0.000 0.979 55 K CB 0.451 32.134 32.500 -1.361 0.000 0.773 55 K HN 0.470 nan 8.250 nan 0.000 0.474 56 I N 2.117 122.522 120.570 -0.275 0.000 2.406 56 I HA 0.082 4.306 4.170 0.090 0.000 0.290 56 I C 1.520 177.443 176.117 -0.323 0.000 0.999 56 I CA -0.209 61.009 61.300 -0.136 0.000 1.124 56 I CB 1.167 39.230 38.000 0.104 0.000 1.289 56 I HN 0.028 nan 8.210 nan 0.000 0.441 57 T N 0.656 115.025 114.554 -0.308 0.000 2.833 57 T HA -0.169 4.236 4.350 0.090 0.000 0.269 57 T C 0.837 175.158 174.700 -0.632 0.000 1.054 57 T CA 1.443 63.294 62.100 -0.416 0.000 1.135 57 T CB -0.198 68.529 68.868 -0.236 0.000 0.869 57 T HN 0.630 nan 8.240 nan 0.000 0.466 58 D N 0.365 120.512 120.400 -0.422 0.000 2.368 58 D HA 0.069 4.763 4.640 0.090 0.000 0.218 58 D C 0.329 176.596 176.300 -0.054 0.000 1.112 58 D CA -0.821 53.019 54.000 -0.267 0.000 0.834 58 D CB -1.043 39.738 40.800 -0.031 0.000 0.953 58 D HN 0.502 nan 8.370 nan 0.000 0.505 59 F N -0.041 119.939 119.950 0.051 0.000 3.006 59 F HA -0.285 4.297 4.527 0.092 0.000 0.289 59 F C 0.803 176.664 175.800 0.100 0.000 0.772 59 F CA 0.596 58.634 58.000 0.062 0.000 1.162 59 F CB -2.594 36.448 39.000 0.071 0.000 1.382 59 F HN 0.157 nan 8.300 nan 0.000 0.406 60 S N 0.385 116.248 115.700 0.271 0.000 2.730 60 S HA 0.817 5.341 4.470 0.090 0.000 0.284 60 S C -0.022 174.746 174.600 0.281 0.000 1.153 60 S CA 0.021 58.413 58.200 0.321 0.000 0.995 60 S CB 2.648 66.129 63.200 0.470 0.000 1.058 60 S HN 0.461 nan 8.310 nan 0.000 0.552 61 N N -1.602 117.137 118.700 0.065 0.000 2.774 61 N HA 0.624 5.418 4.740 0.090 0.000 0.264 61 N C -0.961 174.049 175.510 -0.834 0.000 1.415 61 N CA -0.728 52.093 53.050 -0.382 0.000 0.815 61 N CB 1.069 39.335 38.487 -0.369 0.000 1.514 61 N HN 0.766 nan 8.380 nan 0.000 0.523 62 A N -0.618 121.497 122.820 -1.174 0.000 2.713 62 A HA 0.286 4.660 4.320 0.090 0.000 0.296 62 A C 0.098 177.346 177.584 -0.561 0.000 1.255 62 A CA -0.398 51.004 52.037 -1.057 0.000 0.955 62 A CB -0.626 17.375 19.000 -1.665 0.000 1.149 62 A HN 0.631 nan 8.150 nan 0.000 0.538 63 D N -0.345 119.891 120.400 -0.272 0.000 2.149 63 D HA -0.119 4.576 4.640 0.090 0.000 0.198 63 D C 1.697 177.935 176.300 -0.104 0.000 0.990 63 D CA 1.608 55.549 54.000 -0.099 0.000 0.839 63 D CB 0.272 41.087 40.800 0.025 0.000 0.948 63 D HN 0.298 nan 8.370 nan 0.000 0.460 64 V N -0.462 119.392 119.914 -0.100 0.000 3.048 64 V HA 0.308 4.482 4.120 0.090 0.000 0.241 64 V C 1.388 177.452 176.094 -0.051 0.000 1.129 64 V CA 0.641 62.911 62.300 -0.050 0.000 1.128 64 V CB -0.031 31.775 31.823 -0.028 0.000 0.849 64 V HN 0.312 nan 8.190 nan 0.000 0.475 65 A N 0.933 123.716 122.820 -0.061 0.000 5.308 65 A HA -0.319 4.056 4.320 0.090 0.000 0.321 65 A C 1.368 178.996 177.584 0.073 0.000 1.849 65 A CA 2.966 55.019 52.037 0.027 0.000 0.713 65 A CB -1.714 17.222 19.000 -0.107 0.000 1.360 65 A HN 1.501 nan 8.150 nan 0.000 0.384 66 V N -2.771 117.159 119.914 0.027 0.000 3.376 66 V HA 0.541 4.715 4.120 0.090 0.000 0.313 66 V C 0.508 176.614 176.094 0.020 0.000 1.393 66 V CA 1.786 64.083 62.300 -0.005 0.000 1.125 66 V CB -0.091 31.654 31.823 -0.131 0.000 1.037 66 V HN 1.801 nan 8.190 nan 0.000 0.440 67 D N 0.822 121.260 120.400 0.063 0.000 2.837 67 D HA -0.309 4.385 4.640 0.090 0.000 0.230 67 D C 1.143 177.540 176.300 0.162 0.000 1.152 67 D CA 1.486 55.565 54.000 0.132 0.000 0.736 67 D CB -1.296 39.584 40.800 0.133 0.000 1.084 67 D HN 0.764 nan 8.370 nan 0.000 0.429 68 Q N -1.299 118.607 119.800 0.177 0.000 2.291 68 Q HA -0.189 4.205 4.340 0.090 0.000 0.205 68 Q C 1.745 177.908 176.000 0.272 0.000 0.970 68 Q CA 1.078 57.018 55.803 0.229 0.000 0.876 68 Q CB -0.126 28.814 28.738 0.336 0.000 0.935 68 Q HN 0.712 nan 8.270 nan 0.000 0.455 69 Y N 0.039 120.371 120.300 0.054 0.000 2.193 69 Y HA -0.296 4.307 4.550 0.090 0.000 0.285 69 Y C 1.311 177.190 175.900 -0.036 0.000 1.166 69 Y CA 2.499 60.542 58.100 -0.095 0.000 1.181 69 Y CB -0.043 38.162 38.460 -0.424 0.000 0.976 69 Y HN 0.342 nan 8.280 nan 0.000 0.520 70 H N -1.898 117.288 119.070 0.193 0.000 2.553 70 H HA 0.267 4.878 4.556 0.090 0.000 0.276 70 H C 1.388 176.631 175.328 -0.142 0.000 0.979 70 H CA 0.552 56.614 56.048 0.025 0.000 1.268 70 H CB 0.246 30.035 29.762 0.044 0.000 1.450 70 H HN 0.106 nan 8.280 nan 0.000 0.527 71 R N 0.984 121.497 120.500 0.021 0.000 2.468 71 R HA 0.078 4.472 4.340 0.090 0.000 0.280 71 R C 0.594 176.790 176.300 -0.174 0.000 0.963 71 R CA -0.076 55.959 56.100 -0.109 0.000 1.083 71 R CB -0.017 30.258 30.300 -0.041 0.000 1.200 71 R HN 0.367 nan 8.270 nan 0.000 0.541 72 F N 0.704 120.602 119.950 -0.087 0.000 2.202 72 F HA -0.065 4.516 4.527 0.090 0.000 0.301 72 F C 1.563 177.258 175.800 -0.175 0.000 1.082 72 F CA 0.912 58.828 58.000 -0.141 0.000 1.313 72 F CB -0.276 38.613 39.000 -0.185 0.000 1.024 72 F HN -0.098 nan 8.300 nan 0.000 0.495 73 E N 0.931 120.776 120.200 -0.592 0.000 2.072 73 E HA -0.238 4.166 4.350 0.090 0.000 0.191 73 E C 2.106 178.570 176.600 -0.227 0.000 0.985 73 E CA 1.321 57.518 56.400 -0.339 0.000 0.801 73 E CB -0.433 29.021 29.700 -0.410 0.000 0.750 73 E HN 0.719 nan 8.360 nan 0.000 0.452 74 E N 1.283 121.340 120.200 -0.239 0.000 2.049 74 E HA -0.242 4.162 4.350 0.090 0.000 0.198 74 E C 1.520 177.992 176.600 -0.214 0.000 1.007 74 E CA 1.635 57.915 56.400 -0.201 0.000 0.809 74 E CB 0.062 29.647 29.700 -0.191 0.000 0.749 74 E HN 0.091 nan 8.360 nan 0.000 0.450 75 D N 0.383 120.659 120.400 -0.206 0.000 2.178 75 D HA -0.147 4.547 4.640 0.090 0.000 0.201 75 D C 2.061 178.197 176.300 -0.274 0.000 0.980 75 D CA 0.911 54.764 54.000 -0.245 0.000 0.842 75 D CB -0.200 40.503 40.800 -0.162 0.000 0.948 75 D HN 0.358 nan 8.370 nan 0.000 0.472 76 I N 0.425 120.861 120.570 -0.224 0.000 2.226 76 I HA -0.284 3.940 4.170 0.090 0.000 0.245 76 I C 2.447 178.466 176.117 -0.162 0.000 1.100 76 I CA 0.839 62.014 61.300 -0.210 0.000 1.374 76 I CB -0.095 37.827 38.000 -0.130 0.000 1.057 76 I HN -0.071 nan 8.210 nan 0.000 0.413 77 Q N 1.254 120.965 119.800 -0.149 0.000 2.096 77 Q HA -0.175 4.219 4.340 0.090 0.000 0.204 77 Q C 2.105 178.034 176.000 -0.118 0.000 0.982 77 Q CA 1.806 57.538 55.803 -0.118 0.000 0.850 77 Q CB -0.368 28.301 28.738 -0.115 0.000 0.901 77 Q HN 0.496 nan 8.270 nan 0.000 0.422 78 L N -0.778 120.324 121.223 -0.200 0.000 2.141 78 L HA -0.157 4.238 4.340 0.090 0.000 0.209 78 L C 2.380 179.217 176.870 -0.054 0.000 1.094 78 L CA 0.986 55.680 54.840 -0.243 0.000 0.763 78 L CB -0.425 41.176 42.059 -0.762 0.000 0.908 78 L HN 0.345 nan 8.230 nan 0.000 0.437 79 M N -0.457 119.077 119.600 -0.109 0.000 2.099 79 M HA -0.143 4.391 4.480 0.090 0.000 0.262 79 M C 2.571 178.860 176.300 -0.018 0.000 1.067 79 M CA 1.887 57.154 55.300 -0.056 0.000 1.124 79 M CB -0.520 31.992 32.600 -0.147 0.000 1.353 79 M HN 0.270 nan 8.290 nan 0.000 0.410 80 A N 0.296 123.093 122.820 -0.038 0.000 1.972 80 A HA -0.183 4.192 4.320 0.090 0.000 0.219 80 A C 1.626 179.212 177.584 0.004 0.000 1.169 80 A CA 1.881 53.907 52.037 -0.018 0.000 0.635 80 A CB -0.756 18.226 19.000 -0.030 0.000 0.810 80 A HN 0.398 nan 8.150 nan 0.000 0.446 81 D N -0.509 119.904 120.400 0.021 0.000 2.221 81 D HA -0.125 4.570 4.640 0.090 0.000 0.204 81 D C 1.699 178.032 176.300 0.055 0.000 0.982 81 D CA 1.258 55.286 54.000 0.048 0.000 0.857 81 D CB -0.229 40.627 40.800 0.093 0.000 0.934 81 D HN 0.533 nan 8.370 nan 0.000 0.475 82 M N -1.453 118.183 119.600 0.060 0.000 2.441 82 M HA 0.180 4.714 4.480 0.090 0.000 0.244 82 M C 1.061 177.371 176.300 0.016 0.000 1.122 82 M CA 0.423 55.754 55.300 0.051 0.000 1.041 82 M CB 0.929 33.571 32.600 0.069 0.000 1.438 82 M HN 0.041 nan 8.290 nan 0.000 0.484 83 G N 1.211 110.016 108.800 0.009 0.000 2.160 83 G HA2 -0.196 3.818 3.960 0.090 0.000 0.244 83 G HA3 -0.196 3.818 3.960 0.090 0.000 0.244 83 G C 0.081 174.985 174.900 0.007 0.000 1.022 83 G CA -0.349 44.751 45.100 0.001 0.000 0.741 83 G HN 0.265 nan 8.290 nan 0.000 0.508 84 M N 0.602 120.207 119.600 0.008 0.000 2.250 84 M HA 0.138 4.672 4.480 0.090 0.000 0.337 84 M C 1.136 177.450 176.300 0.024 0.000 1.161 84 M CA 0.401 55.710 55.300 0.014 0.000 1.088 84 M CB 0.245 32.845 32.600 0.001 0.000 1.639 84 M HN 0.143 nan 8.290 nan 0.000 0.447 85 D N 1.162 121.576 120.400 0.024 0.000 2.271 85 D HA 0.261 4.955 4.640 0.090 0.000 0.206 85 D C 0.336 176.657 176.300 0.035 0.000 0.967 85 D CA 0.614 54.629 54.000 0.025 0.000 0.867 85 D CB 0.511 41.317 40.800 0.010 0.000 0.960 85 D HN 0.626 nan 8.370 nan 0.000 0.509 86 A N -0.355 122.472 122.820 0.012 0.000 2.609 86 A HA 0.542 4.917 4.320 0.090 0.000 0.291 86 A C -2.079 175.676 177.584 0.285 0.000 1.096 86 A CA -0.624 51.490 52.037 0.128 0.000 0.684 86 A CB 1.768 20.747 19.000 -0.035 0.000 1.282 86 A HN 0.006 nan 8.150 nan 0.000 0.412 87 Y N 0.626 121.072 120.300 0.243 0.000 2.386 87 Y HA 0.592 5.195 4.550 0.089 0.000 0.334 87 Y C -0.224 175.794 175.900 0.196 0.000 1.002 87 Y CA -0.754 57.481 58.100 0.225 0.000 1.068 87 Y CB 1.587 40.141 38.460 0.157 0.000 1.203 87 Y HN 0.736 nan 8.280 nan 0.000 0.443 88 R N 6.259 126.580 120.500 -0.299 0.000 2.221 88 R HA 0.480 4.874 4.340 0.090 0.000 0.327 88 R C -1.460 174.413 176.300 -0.712 0.000 1.033 88 R CA -0.368 55.397 56.100 -0.560 0.000 0.887 88 R CB 0.517 30.424 30.300 -0.655 0.000 1.057 88 R HN 0.605 nan 8.270 nan 0.000 0.455 89 F N -0.457 119.136 119.950 -0.596 0.000 2.629 89 F HA 0.606 5.187 4.527 0.089 0.000 0.316 89 F C -0.656 174.985 175.800 -0.266 0.000 1.081 89 F CA -1.149 56.541 58.000 -0.516 0.000 0.954 89 F CB 1.354 40.101 39.000 -0.422 0.000 1.337 89 F HN 0.333 nan 8.300 nan 0.000 0.474 90 S N 1.547 117.235 115.700 -0.020 0.000 2.578 90 S HA 0.752 5.276 4.470 0.090 0.000 0.301 90 S C -0.837 173.810 174.600 0.078 0.000 1.091 90 S CA -0.747 57.429 58.200 -0.040 0.000 1.032 90 S CB 1.394 64.624 63.200 0.049 0.000 1.064 90 S HN 0.727 nan 8.310 nan 0.000 0.508 91 I N 2.160 122.684 120.570 -0.076 0.000 2.342 91 I HA 0.390 4.614 4.170 0.090 0.000 0.291 91 I C 0.650 176.865 176.117 0.163 0.000 1.010 91 I CA -0.607 60.524 61.300 -0.281 0.000 1.308 91 I CB 1.267 39.058 38.000 -0.348 0.000 1.400 91 I HN 0.897 nan 8.210 nan 0.000 0.488 92 A N 7.300 130.305 122.820 0.308 0.000 2.410 92 A HA -0.023 4.351 4.320 0.090 0.000 0.292 92 A C 0.807 178.659 177.584 0.447 0.000 1.232 92 A CA -0.334 51.952 52.037 0.414 0.000 0.893 92 A CB -0.183 19.077 19.000 0.433 0.000 1.131 92 A HN 0.974 nan 8.150 nan 0.000 0.530 93 W N 3.427 124.804 121.300 0.129 0.000 2.305 93 W HA -0.299 4.415 4.660 0.090 0.000 0.308 93 W C 2.142 178.660 176.519 -0.002 0.000 1.226 93 W CA 2.589 59.779 57.345 -0.258 0.000 1.253 93 W CB -0.841 28.348 29.460 -0.451 0.000 1.146 93 W HN 0.799 nan 8.180 nan 0.000 0.507 94 S N 0.120 116.008 115.700 0.312 0.000 2.547 94 S HA -0.068 4.457 4.470 0.090 0.000 0.235 94 S C 1.787 176.521 174.600 0.224 0.000 0.980 94 S CA 0.806 59.120 58.200 0.190 0.000 0.941 94 S CB -0.419 62.842 63.200 0.102 0.000 0.763 94 S HN 0.377 nan 8.310 nan 0.000 0.532 95 R N -0.141 120.543 120.500 0.307 0.000 2.210 95 R HA 0.235 4.629 4.340 0.090 0.000 0.203 95 R C 1.356 177.839 176.300 0.305 0.000 1.010 95 R CA 0.586 56.865 56.100 0.298 0.000 1.008 95 R CB -0.088 30.461 30.300 0.415 0.000 0.923 95 R HN 0.426 nan 8.270 nan 0.000 0.469 96 I N -0.855 119.931 120.570 0.360 0.000 2.512 96 I HA -0.051 4.173 4.170 0.090 0.000 0.247 96 I C 0.317 176.442 176.117 0.013 0.000 1.094 96 I CA 0.977 62.431 61.300 0.257 0.000 1.427 96 I CB -0.376 37.898 38.000 0.457 0.000 1.149 96 I HN -0.049 nan 8.210 nan 0.000 0.438 97 Y N 1.207 121.698 120.300 0.317 0.000 2.686 97 Y HA 0.334 4.938 4.550 0.090 0.000 0.331 97 Y C -1.724 174.250 175.900 0.124 0.000 0.996 97 Y CA -1.910 56.327 58.100 0.229 0.000 1.293 97 Y CB 0.800 39.445 38.460 0.310 0.000 1.092 97 Y HN -0.022 nan 8.280 nan 0.000 0.524 98 P HA -0.163 nan 4.420 nan 0.000 0.217 98 P C 0.537 177.858 177.300 0.034 0.000 1.148 98 P CA 1.576 64.734 63.100 0.096 0.000 0.828 98 P CB 0.376 32.120 31.700 0.072 0.000 0.783 99 N N -1.936 116.798 118.700 0.056 0.000 2.251 99 N HA 0.125 4.919 4.740 0.090 0.000 0.217 99 N C 1.386 176.847 175.510 -0.082 0.000 1.124 99 N CA 0.858 53.896 53.050 -0.020 0.000 0.843 99 N CB 0.538 39.030 38.487 0.008 0.000 1.024 99 N HN 0.128 nan 8.380 nan 0.000 0.501 100 G N 0.376 109.121 108.800 -0.091 0.000 2.708 100 G HA2 -0.340 3.675 3.960 0.090 0.000 0.229 100 G HA3 -0.340 3.675 3.960 0.090 0.000 0.229 100 G C 0.224 175.133 174.900 0.014 0.000 1.236 100 G CA 0.783 45.720 45.100 -0.272 0.000 0.749 100 G HN 0.402 nan 8.290 nan 0.000 0.515 101 V N -2.828 117.081 119.914 -0.008 0.000 3.164 101 V HA 1.013 5.187 4.120 0.090 0.000 0.313 101 V C 1.265 177.452 176.094 0.156 0.000 1.188 101 V CA 0.631 62.899 62.300 -0.052 0.000 1.058 101 V CB 1.108 32.910 31.823 -0.035 0.000 1.110 101 V HN 2.486 nan 8.190 nan 0.000 0.453 102 G N 0.443 109.355 108.800 0.186 0.000 2.754 102 G HA2 -0.203 3.812 3.960 0.090 0.000 0.241 102 G HA3 -0.203 3.812 3.960 0.090 0.000 0.241 102 G C -0.072 174.995 174.900 0.280 0.000 1.281 102 G CA 0.401 45.618 45.100 0.195 0.000 0.971 102 G HN 1.262 nan 8.290 nan 0.000 0.569 103 Q N 0.547 120.466 119.800 0.198 0.000 2.288 103 Q HA 0.515 4.910 4.340 0.090 0.000 0.258 103 Q C 0.305 176.341 176.000 0.060 0.000 0.957 103 Q CA -0.489 55.386 55.803 0.120 0.000 0.919 103 Q CB 1.058 29.840 28.738 0.073 0.000 1.185 103 Q HN 0.550 nan 8.270 nan 0.000 0.408 104 V N 4.327 124.207 119.914 -0.057 0.000 2.614 104 V HA 0.014 4.188 4.120 0.090 0.000 0.291 104 V C 0.227 176.251 176.094 -0.115 0.000 1.049 104 V CA -0.285 61.849 62.300 -0.277 0.000 1.038 104 V CB 1.070 32.734 31.823 -0.264 0.000 0.980 104 V HN 0.736 nan 8.190 nan 0.000 0.481 105 N N 2.950 121.591 118.700 -0.099 0.000 2.500 105 N HA 0.185 4.979 4.740 0.090 0.000 0.236 105 N C 0.709 176.240 175.510 0.034 0.000 1.022 105 N CA -0.307 52.746 53.050 0.004 0.000 0.935 105 N CB 1.351 39.868 38.487 0.051 0.000 1.147 105 N HN 0.634 nan 8.380 nan 0.000 0.512 106 Q N 3.784 123.603 119.800 0.033 0.000 2.135 106 Q HA -0.037 4.357 4.340 0.090 0.000 0.204 106 Q C 1.536 177.592 176.000 0.093 0.000 0.981 106 Q CA 2.057 57.891 55.803 0.051 0.000 0.856 106 Q CB -0.265 28.495 28.738 0.037 0.000 0.902 106 Q HN 0.736 nan 8.270 nan 0.000 0.425 107 A N -0.456 122.421 122.820 0.095 0.000 2.024 107 A HA -0.060 4.314 4.320 0.090 0.000 0.220 107 A C 2.209 179.895 177.584 0.170 0.000 1.164 107 A CA 1.572 53.681 52.037 0.120 0.000 0.643 107 A CB -1.191 17.873 19.000 0.107 0.000 0.806 107 A HN 0.547 nan 8.150 nan 0.000 0.451 108 G N 0.073 108.989 108.800 0.194 0.000 2.404 108 G HA2 -0.139 3.875 3.960 0.090 0.000 0.215 108 G HA3 -0.139 3.875 3.960 0.090 0.000 0.215 108 G C 1.512 176.661 174.900 0.415 0.000 1.174 108 G CA 1.027 46.306 45.100 0.299 0.000 0.780 108 G HN 0.473 nan 8.290 nan 0.000 0.537 109 I N 1.201 121.988 120.570 0.361 0.000 2.163 109 I HA -0.158 4.066 4.170 0.090 0.000 0.243 109 I C 2.284 178.619 176.117 0.363 0.000 1.085 109 I CA 1.298 62.862 61.300 0.441 0.000 1.347 109 I CB -0.209 37.905 38.000 0.190 0.000 1.044 109 I HN 0.049 nan 8.210 nan 0.000 0.408 110 D N -0.369 120.156 120.400 0.210 0.000 2.123 110 D HA -0.243 4.451 4.640 0.090 0.000 0.196 110 D C 1.975 178.314 176.300 0.066 0.000 0.992 110 D CA 1.565 55.644 54.000 0.132 0.000 0.833 110 D CB -0.442 40.417 40.800 0.100 0.000 0.954 110 D HN 0.462 nan 8.370 nan 0.000 0.455 111 H N -0.355 118.683 119.070 -0.054 0.000 2.293 111 H HA -0.149 4.461 4.556 0.090 0.000 0.300 111 H C 1.721 176.786 175.328 -0.438 0.000 1.082 111 H CA 1.670 57.534 56.048 -0.306 0.000 1.308 111 H CB -0.414 29.089 29.762 -0.431 0.000 1.375 111 H HN 0.109 nan 8.280 nan 0.000 0.495 112 Y N 0.330 120.513 120.300 -0.195 0.000 2.293 112 Y HA -0.145 4.459 4.550 0.090 0.000 0.291 112 Y C 2.453 178.138 175.900 -0.359 0.000 1.137 112 Y CA 1.064 58.916 58.100 -0.413 0.000 1.202 112 Y CB -0.415 37.803 38.460 -0.403 0.000 0.990 112 Y HN 0.326 nan 8.280 nan 0.000 0.537 113 N N 0.469 119.208 118.700 0.064 0.000 2.104 113 N HA -0.161 4.633 4.740 0.090 0.000 0.190 113 N C 1.639 177.096 175.510 -0.087 0.000 1.024 113 N CA 1.363 54.467 53.050 0.091 0.000 0.853 113 N CB -0.249 38.354 38.487 0.194 0.000 1.008 113 N HN 0.381 nan 8.380 nan 0.000 0.424 114 K N 0.356 120.634 120.400 -0.204 0.000 2.057 114 K HA -0.118 4.256 4.320 0.090 0.000 0.207 114 K C 1.931 178.285 176.600 -0.411 0.000 1.049 114 K CA 0.718 56.867 56.287 -0.230 0.000 0.931 114 K CB -0.231 32.156 32.500 -0.188 0.000 0.714 114 K HN 0.044 nan 8.250 nan 0.000 0.440 115 L N 1.484 122.205 121.223 -0.836 0.000 2.027 115 L HA -0.119 4.276 4.340 0.090 0.000 0.206 115 L C 1.920 178.503 176.870 -0.478 0.000 1.074 115 L CA 1.532 55.773 54.840 -0.998 0.000 0.745 115 L CB -0.282 41.002 42.059 -1.290 0.000 0.898 115 L HN 0.128 nan 8.230 nan 0.000 0.433 116 I N -0.207 120.178 120.570 -0.308 0.000 2.179 116 I HA -0.294 3.930 4.170 0.090 0.000 0.242 116 I C 2.037 178.124 176.117 -0.050 0.000 1.088 116 I CA 1.467 62.712 61.300 -0.091 0.000 1.357 116 I CB -0.528 37.468 38.000 -0.005 0.000 1.051 116 I HN 0.299 nan 8.210 nan 0.000 0.409 117 D N 0.949 121.317 120.400 -0.053 0.000 2.117 117 D HA -0.138 4.556 4.640 0.090 0.000 0.197 117 D C 2.252 178.546 176.300 -0.010 0.000 0.987 117 D CA 1.546 55.539 54.000 -0.012 0.000 0.829 117 D CB -0.229 40.570 40.800 -0.001 0.000 0.961 117 D HN 0.353 nan 8.370 nan 0.000 0.460 118 A N 0.572 123.381 122.820 -0.020 0.000 1.902 118 A HA -0.111 4.264 4.320 0.090 0.000 0.217 118 A C 2.382 179.965 177.584 -0.003 0.000 1.181 118 A CA 0.859 52.908 52.037 0.019 0.000 0.623 118 A CB -0.753 18.323 19.000 0.127 0.000 0.818 118 A HN 0.186 nan 8.150 nan 0.000 0.443 119 L N -0.703 120.503 121.223 -0.027 0.000 1.994 119 L HA -0.188 4.206 4.340 0.090 0.000 0.208 119 L C 2.574 179.455 176.870 0.020 0.000 1.071 119 L CA 1.288 56.126 54.840 -0.005 0.000 0.745 119 L CB -0.512 41.567 42.059 0.033 0.000 0.892 119 L HN 0.365 nan 8.230 nan 0.000 0.431 120 L N -0.638 120.599 121.223 0.024 0.000 2.131 120 L HA -0.186 4.209 4.340 0.090 0.000 0.210 120 L C 2.770 179.653 176.870 0.022 0.000 1.092 120 L CA 0.967 55.825 54.840 0.031 0.000 0.759 120 L CB -0.662 41.415 42.059 0.031 0.000 0.903 120 L HN 0.263 nan 8.230 nan 0.000 0.435 121 A N -0.682 122.145 122.820 0.013 0.000 2.015 121 A HA -0.139 4.235 4.320 0.090 0.000 0.219 121 A C 2.101 179.687 177.584 0.004 0.000 1.163 121 A CA 1.253 53.295 52.037 0.009 0.000 0.646 121 A CB -0.152 18.851 19.000 0.005 0.000 0.806 121 A HN 0.162 nan 8.150 nan 0.000 0.448 122 K N -1.170 119.231 120.400 0.002 0.000 2.404 122 K HA 0.160 4.534 4.320 0.090 0.000 0.194 122 K C 0.981 177.585 176.600 0.008 0.000 1.023 122 K CA 0.674 56.959 56.287 -0.004 0.000 1.094 122 K CB -0.061 32.428 32.500 -0.019 0.000 0.841 122 K HN 0.729 nan 8.250 nan 0.000 0.523 123 G N 1.958 110.770 108.800 0.019 0.000 2.147 123 G HA2 -0.247 3.767 3.960 0.090 0.000 0.244 123 G HA3 -0.247 3.767 3.960 0.090 0.000 0.244 123 G C 0.011 174.938 174.900 0.044 0.000 1.005 123 G CA -0.086 45.033 45.100 0.031 0.000 0.713 123 G HN 0.284 nan 8.290 nan 0.000 0.515 124 I N 0.790 121.390 120.570 0.050 0.000 2.339 124 I HA 0.283 4.507 4.170 0.090 0.000 0.290 124 I C 0.206 176.396 176.117 0.121 0.000 0.994 124 I CA -0.907 60.439 61.300 0.077 0.000 1.191 124 I CB 1.498 39.531 38.000 0.055 0.000 1.343 124 I HN -0.056 nan 8.210 nan 0.000 0.458 125 Q N 7.916 127.813 119.800 0.161 0.000 2.296 125 Q HA 0.267 4.662 4.340 0.090 0.000 0.262 125 Q C -2.284 173.888 176.000 0.286 0.000 0.981 125 Q CA -1.744 54.179 55.803 0.200 0.000 0.905 125 Q CB 0.987 29.872 28.738 0.245 0.000 1.186 125 Q HN 0.285 nan 8.270 nan 0.000 0.399 126 P HA 0.111 nan 4.420 nan 0.000 0.282 126 P C -1.174 176.096 177.300 -0.050 0.000 1.262 126 P CA -0.158 63.050 63.100 0.181 0.000 0.773 126 P CB 0.282 32.076 31.700 0.158 0.000 0.879 127 Y N 2.051 122.164 120.300 -0.311 0.000 2.402 127 Y HA 0.283 4.889 4.550 0.093 0.000 0.332 127 Y C 0.262 175.743 175.900 -0.699 0.000 0.960 127 Y CA -0.796 57.007 58.100 -0.495 0.000 1.228 127 Y CB 1.471 39.565 38.460 -0.611 0.000 1.120 127 Y HN 0.077 nan 8.280 nan 0.000 0.491 128 V N 3.680 123.194 119.914 -0.667 0.000 2.370 128 V HA 0.337 4.511 4.120 0.090 0.000 0.283 128 V C 0.027 175.911 176.094 -0.349 0.000 1.023 128 V CA -0.767 61.043 62.300 -0.817 0.000 0.857 128 V CB 1.544 32.778 31.823 -0.982 0.000 0.985 128 V HN 0.717 nan 8.190 nan 0.000 0.443 129 T N 6.564 120.929 114.554 -0.314 0.000 2.780 129 T HA 0.384 4.788 4.350 0.090 0.000 0.294 129 T C 1.250 175.976 174.700 0.042 0.000 0.949 129 T CA -0.266 61.789 62.100 -0.076 0.000 1.074 129 T CB 1.142 69.988 68.868 -0.037 0.000 0.910 129 T HN 0.417 nan 8.240 nan 0.000 0.501 130 L N 1.893 123.215 121.223 0.165 0.000 2.131 130 L HA 0.148 4.542 4.340 0.090 0.000 0.206 130 L C 0.350 177.564 176.870 0.573 0.000 1.087 130 L CA 0.925 55.908 54.840 0.239 0.000 0.767 130 L CB 0.023 42.123 42.059 0.068 0.000 0.917 130 L HN 0.601 nan 8.230 nan 0.000 0.441 131 Y N -0.280 120.270 120.300 0.417 0.000 2.363 131 Y HA 0.303 4.907 4.550 0.091 0.000 0.325 131 Y C -0.242 175.852 175.900 0.324 0.000 0.984 131 Y CA -0.936 57.467 58.100 0.504 0.000 1.248 131 Y CB 0.327 39.140 38.460 0.588 0.000 1.116 131 Y HN -0.014 nan 8.280 nan 0.000 0.470 132 H N 6.752 125.689 119.070 -0.221 0.000 2.500 132 H HA 0.157 4.767 4.556 0.089 0.000 0.243 132 H C -0.714 174.391 175.328 -0.371 0.000 1.318 132 H CA -0.083 55.747 56.048 -0.363 0.000 1.077 132 H CB -0.146 29.468 29.762 -0.247 0.000 1.748 132 H HN 0.973 nan 8.280 nan 0.000 0.556 133 W N -0.064 120.729 121.300 -0.844 0.000 1.273 133 W HA -0.202 4.511 4.660 0.088 0.000 0.240 133 W C -0.104 176.429 176.519 0.023 0.000 0.987 133 W CA 0.609 57.700 57.345 -0.424 0.000 0.393 133 W CB -2.178 27.130 29.460 -0.252 0.000 1.994 133 W HN 0.500 nan 8.180 nan 0.000 1.170 134 D N 1.153 121.659 120.400 0.176 0.000 2.943 134 D HA 0.410 5.104 4.640 0.090 0.000 0.249 134 D C 0.280 176.819 176.300 0.398 0.000 1.231 134 D CA -0.374 53.840 54.000 0.356 0.000 0.979 134 D CB -0.459 40.519 40.800 0.297 0.000 1.053 134 D HN 0.079 nan 8.370 nan 0.000 0.504 135 L N 0.980 122.523 121.223 0.533 0.000 2.499 135 L HA 0.215 4.609 4.340 0.090 0.000 0.273 135 L C -2.324 174.521 176.870 -0.042 0.000 1.195 135 L CA -1.209 53.826 54.840 0.324 0.000 0.882 135 L CB 0.200 42.457 42.059 0.330 0.000 1.133 135 L HN -0.020 nan 8.230 nan 0.000 0.483 136 P HA -0.042 nan 4.420 nan 0.000 0.261 136 P C -0.198 176.946 177.300 -0.260 0.000 1.183 136 P CA 0.194 63.100 63.100 -0.324 0.000 0.761 136 P CB 0.607 31.982 31.700 -0.543 0.000 0.785 137 Q N 5.219 124.932 119.800 -0.145 0.000 2.181 137 Q HA -0.221 4.173 4.340 0.090 0.000 0.205 137 Q C 1.936 177.829 176.000 -0.179 0.000 0.980 137 Q CA 2.293 58.021 55.803 -0.126 0.000 0.862 137 Q CB -1.025 27.675 28.738 -0.063 0.000 0.905 137 Q HN 0.506 nan 8.270 nan 0.000 0.429 138 A N 0.120 122.824 122.820 -0.193 0.000 1.948 138 A HA -0.181 4.194 4.320 0.090 0.000 0.220 138 A C 2.021 179.411 177.584 -0.324 0.000 1.177 138 A CA 1.661 53.574 52.037 -0.207 0.000 0.636 138 A CB -0.734 18.166 19.000 -0.168 0.000 0.815 138 A HN 0.479 nan 8.150 nan 0.000 0.449 139 L N -1.480 119.473 121.223 -0.450 0.000 2.179 139 L HA -0.097 4.298 4.340 0.090 0.000 0.208 139 L C 2.560 179.001 176.870 -0.714 0.000 1.096 139 L CA 1.330 55.728 54.840 -0.736 0.000 0.779 139 L CB -0.472 41.131 42.059 -0.761 0.000 0.922 139 L HN 0.391 nan 8.230 nan 0.000 0.443 140 E N 0.866 120.822 120.200 -0.407 0.000 2.051 140 E HA -0.226 4.178 4.350 0.090 0.000 0.192 140 E C 1.701 178.174 176.600 -0.211 0.000 0.991 140 E CA 1.575 57.827 56.400 -0.247 0.000 0.799 140 E CB 0.006 29.622 29.700 -0.139 0.000 0.748 140 E HN 0.335 nan 8.360 nan 0.000 0.449 141 D N -0.085 120.193 120.400 -0.203 0.000 2.117 141 D HA -0.141 4.553 4.640 0.090 0.000 0.198 141 D C 1.737 177.941 176.300 -0.160 0.000 0.982 141 D CA 0.914 54.828 54.000 -0.143 0.000 0.828 141 D CB -0.200 40.531 40.800 -0.115 0.000 0.967 141 D HN 0.171 nan 8.370 nan 0.000 0.464 142 K N 0.000 120.237 120.400 -0.272 0.000 2.025 142 K HA -0.142 4.232 4.320 0.090 0.000 0.207 142 K C 0.853 177.386 176.600 -0.111 0.000 1.049 142 K CA 1.133 57.282 56.287 -0.230 0.000 0.933 142 K CB 0.128 32.420 32.500 -0.346 0.000 0.714 142 K HN 0.387 nan 8.250 nan 0.000 0.438 143 Y N -2.366 117.887 120.300 -0.077 0.000 2.863 143 Y HA 0.395 4.999 4.550 0.090 0.000 0.254 143 Y C -0.756 175.110 175.900 -0.058 0.000 1.124 143 Y CA -0.952 57.107 58.100 -0.068 0.000 1.203 143 Y CB 0.041 38.449 38.460 -0.086 0.000 1.269 143 Y HN -0.107 nan 8.280 nan 0.000 0.586 144 K N 1.372 121.776 120.400 0.008 0.000 3.071 144 K HA -0.216 4.159 4.320 0.090 0.000 0.265 144 K C 1.274 177.929 176.600 0.091 0.000 1.060 144 K CA 0.718 57.033 56.287 0.047 0.000 0.767 144 K CB -1.683 30.877 32.500 0.101 0.000 1.241 144 K HN 1.070 nan 8.250 nan 0.000 0.486 145 G N 0.501 109.273 108.800 -0.046 0.000 2.660 145 G HA2 -0.379 3.635 3.960 0.090 0.000 0.321 145 G HA3 -0.379 3.635 3.960 0.090 0.000 0.321 145 G C 0.571 175.440 174.900 -0.052 0.000 1.246 145 G CA 0.781 45.804 45.100 -0.129 0.000 1.000 145 G HN 0.413 nan 8.290 nan 0.000 0.550 146 W N 1.072 122.383 121.300 0.018 0.000 2.538 146 W HA 0.298 5.014 4.660 0.093 0.000 0.254 146 W C 2.560 179.064 176.519 -0.025 0.000 1.249 146 W CA 0.628 57.886 57.345 -0.146 0.000 1.253 146 W CB -0.282 28.908 29.460 -0.450 0.000 1.130 146 W HN 0.297 nan 8.180 nan 0.000 0.618 147 L N -0.557 120.775 121.223 0.182 0.000 2.395 147 L HA -0.010 4.384 4.340 0.090 0.000 0.218 147 L C 0.857 177.866 176.870 0.232 0.000 1.130 147 L CA 0.732 55.673 54.840 0.168 0.000 0.826 147 L CB -0.314 41.825 42.059 0.133 0.000 0.941 147 L HN -0.149 nan 8.230 nan 0.000 0.451 148 D N -0.691 119.759 120.400 0.083 0.000 2.256 148 D HA 0.078 4.773 4.640 0.090 0.000 0.246 148 D C 0.676 176.625 176.300 -0.584 0.000 1.042 148 D CA -0.449 53.455 54.000 -0.160 0.000 0.841 148 D CB 2.233 42.888 40.800 -0.243 0.000 1.223 148 D HN -0.210 nan 8.370 nan 0.000 0.470 149 R N 2.250 122.389 120.500 -0.601 0.000 2.170 149 R HA -0.210 4.184 4.340 0.090 0.000 0.242 149 R C 1.726 177.702 176.300 -0.541 0.000 1.145 149 R CA 1.720 57.396 56.100 -0.707 0.000 0.984 149 R CB -0.294 29.834 30.300 -0.287 0.000 0.869 149 R HN 0.368 nan 8.270 nan 0.000 0.455 150 Q N 0.042 119.471 119.800 -0.619 0.000 2.234 150 Q HA -0.108 4.287 4.340 0.090 0.000 0.206 150 Q C 1.687 177.379 176.000 -0.513 0.000 0.980 150 Q CA 1.437 56.865 55.803 -0.624 0.000 0.869 150 Q CB -0.424 27.738 28.738 -0.961 0.000 0.912 150 Q HN 0.467 nan 8.270 nan 0.000 0.436 151 I N -0.899 119.333 120.570 -0.563 0.000 2.335 151 I HA -0.227 3.998 4.170 0.090 0.000 0.251 151 I C 1.691 177.703 176.117 -0.175 0.000 1.129 151 I CA 0.876 61.972 61.300 -0.339 0.000 1.402 151 I CB -0.251 37.394 38.000 -0.592 0.000 1.069 151 I HN 0.076 nan 8.210 nan 0.000 0.424 152 V N 0.478 120.294 119.914 -0.164 0.000 2.261 152 V HA -0.298 3.876 4.120 0.090 0.000 0.246 152 V C 2.171 178.295 176.094 0.050 0.000 1.047 152 V CA 2.279 64.582 62.300 0.005 0.000 1.015 152 V CB -0.833 30.980 31.823 -0.018 0.000 0.642 152 V HN 0.368 nan 8.190 nan 0.000 0.446 153 D N -0.310 120.074 120.400 -0.026 0.000 2.178 153 D HA -0.120 4.574 4.640 0.090 0.000 0.202 153 D C 1.899 178.193 176.300 -0.009 0.000 0.974 153 D CA 1.078 55.067 54.000 -0.020 0.000 0.841 153 D CB -0.301 40.471 40.800 -0.047 0.000 0.953 153 D HN 0.424 nan 8.370 nan 0.000 0.478 154 D N -0.303 120.113 120.400 0.027 0.000 2.097 154 D HA -0.120 4.574 4.640 0.090 0.000 0.197 154 D C 1.772 178.163 176.300 0.151 0.000 0.984 154 D CA 0.367 54.431 54.000 0.106 0.000 0.826 154 D CB -0.471 40.449 40.800 0.199 0.000 0.973 154 D HN 0.171 nan 8.370 nan 0.000 0.460 155 F N 1.846 121.820 119.950 0.039 0.000 2.069 155 F HA -0.178 4.403 4.527 0.091 0.000 0.298 155 F C 2.201 177.878 175.800 -0.206 0.000 1.113 155 F CA 1.739 59.642 58.000 -0.163 0.000 1.214 155 F CB -0.416 38.574 39.000 -0.018 0.000 0.978 155 F HN -0.050 nan 8.300 nan 0.000 0.474 156 A N 0.419 123.151 122.820 -0.147 0.000 1.940 156 A HA -0.118 4.256 4.320 0.090 0.000 0.219 156 A C 2.397 179.759 177.584 -0.370 0.000 1.176 156 A CA 1.982 53.859 52.037 -0.267 0.000 0.631 156 A CB -1.605 17.366 19.000 -0.049 0.000 0.814 156 A HN 0.560 nan 8.150 nan 0.000 0.446 157 A N -1.396 121.264 122.820 -0.266 0.000 1.930 157 A HA -0.045 4.329 4.320 0.090 0.000 0.217 157 A C 2.126 179.519 177.584 -0.318 0.000 1.175 157 A CA 1.625 53.519 52.037 -0.238 0.000 0.627 157 A CB -0.773 18.124 19.000 -0.171 0.000 0.815 157 A HN 0.811 nan 8.150 nan 0.000 0.443 158 Y N 0.886 120.829 120.300 -0.595 0.000 2.145 158 Y HA -0.078 4.526 4.550 0.090 0.000 0.286 158 Y C 2.554 177.991 175.900 -0.772 0.000 1.145 158 Y CA 1.175 58.883 58.100 -0.652 0.000 1.148 158 Y CB -0.862 36.883 38.460 -1.190 0.000 0.981 158 Y HN 0.283 nan 8.280 nan 0.000 0.507 159 A N 0.413 122.393 122.820 -1.401 0.000 1.908 159 A HA -0.283 4.091 4.320 0.090 0.000 0.218 159 A C 2.291 178.834 177.584 -1.736 0.000 1.181 159 A CA 2.063 53.054 52.037 -1.743 0.000 0.627 159 A CB -1.074 16.979 19.000 -1.579 0.000 0.818 159 A HN 0.687 nan 8.150 nan 0.000 0.445 160 E N -0.950 118.646 120.200 -1.008 0.000 2.077 160 E HA -0.160 4.245 4.350 0.090 0.000 0.193 160 E C 1.974 178.234 176.600 -0.567 0.000 0.989 160 E CA 1.646 57.665 56.400 -0.635 0.000 0.800 160 E CB -0.196 29.385 29.700 -0.199 0.000 0.746 160 E HN 0.548 nan 8.360 nan 0.000 0.452 161 T N -0.001 114.299 114.554 -0.423 0.000 2.720 161 T HA -0.190 4.214 4.350 0.090 0.000 0.268 161 T C 1.942 176.388 174.700 -0.423 0.000 1.037 161 T CA 1.298 63.236 62.100 -0.270 0.000 1.144 161 T CB -0.424 68.444 68.868 -0.000 0.000 0.864 161 T HN 0.358 nan 8.240 nan 0.000 0.444 162 C N 0.867 119.816 119.300 -0.585 0.000 2.432 162 C HA -0.013 4.501 4.460 0.090 0.000 0.277 162 C C 2.374 177.157 174.990 -0.345 0.000 1.249 162 C CA 0.045 58.824 59.018 -0.398 0.000 1.725 162 C CB -1.547 25.868 27.740 -0.542 0.000 2.028 162 C HN 0.476 nan 8.230 nan 0.000 0.477 163 F N 1.442 120.974 119.950 -0.696 0.000 2.095 163 F HA -0.126 4.455 4.527 0.090 0.000 0.298 163 F C 2.595 178.095 175.800 -0.500 0.000 1.104 163 F CA 1.254 58.841 58.000 -0.688 0.000 1.232 163 F CB -1.207 37.151 39.000 -1.071 0.000 0.987 163 F HN 0.213 nan 8.300 nan 0.000 0.475 164 R N 0.083 120.345 120.500 -0.397 0.000 2.073 164 R HA -0.125 4.269 4.340 0.090 0.000 0.234 164 R C 2.076 178.271 176.300 -0.175 0.000 1.134 164 R CA 1.377 57.360 56.100 -0.195 0.000 0.952 164 R CB -0.329 29.896 30.300 -0.124 0.000 0.850 164 R HN 0.251 nan 8.270 nan 0.000 0.433 165 E N -0.549 119.411 120.200 -0.401 0.000 2.158 165 E HA -0.077 4.327 4.350 0.090 0.000 0.191 165 E C 1.289 177.598 176.600 -0.486 0.000 0.982 165 E CA 1.085 57.104 56.400 -0.635 0.000 0.823 165 E CB 0.165 29.127 29.700 -1.231 0.000 0.766 165 E HN 0.298 nan 8.360 nan 0.000 0.468 166 F N -1.292 118.758 119.950 0.167 0.000 2.784 166 F HA 0.330 4.912 4.527 0.091 0.000 0.323 166 F C 2.033 177.986 175.800 0.255 0.000 1.085 166 F CA 0.045 58.171 58.000 0.210 0.000 1.196 166 F CB -0.236 38.923 39.000 0.265 0.000 1.053 166 F HN -0.040 nan 8.300 nan 0.000 0.578 167 G N 0.695 109.787 108.800 0.486 0.000 2.598 167 G HA2 -0.177 3.838 3.960 0.090 0.000 0.215 167 G HA3 -0.177 3.838 3.960 0.090 0.000 0.215 167 G C 1.373 176.439 174.900 0.276 0.000 1.131 167 G CA 0.978 46.385 45.100 0.512 0.000 0.785 167 G HN 0.429 nan 8.290 nan 0.000 0.539 168 D N 0.582 121.102 120.400 0.199 0.000 2.219 168 D HA -0.090 4.604 4.640 0.090 0.000 0.205 168 D C 2.165 178.523 176.300 0.097 0.000 0.970 168 D CA 0.650 54.727 54.000 0.128 0.000 0.851 168 D CB -0.129 40.732 40.800 0.103 0.000 0.943 168 D HN 0.347 nan 8.370 nan 0.000 0.488 169 R N -0.181 120.383 120.500 0.107 0.000 2.225 169 R HA 0.231 4.625 4.340 0.090 0.000 0.194 169 R C 0.352 176.637 176.300 -0.026 0.000 0.949 169 R CA -0.073 56.058 56.100 0.052 0.000 1.088 169 R CB 0.893 31.236 30.300 0.072 0.000 1.106 169 R HN -0.057 nan 8.270 nan 0.000 0.566 170 V N 3.080 122.952 119.914 -0.070 0.000 2.455 170 V HA 0.071 4.245 4.120 0.090 0.000 0.273 170 V C 0.521 176.360 176.094 -0.425 0.000 1.045 170 V CA 0.361 62.430 62.300 -0.386 0.000 0.976 170 V CB 1.399 32.728 31.823 -0.824 0.000 0.993 170 V HN 0.180 nan 8.190 nan 0.000 0.475 171 K N 2.834 122.936 120.400 -0.497 0.000 2.374 171 K HA 0.245 4.620 4.320 0.090 0.000 0.202 171 K C -0.114 175.963 176.600 -0.872 0.000 1.040 171 K CA 0.140 56.103 56.287 -0.541 0.000 1.085 171 K CB 0.390 32.580 32.500 -0.518 0.000 0.873 171 K HN 0.771 nan 8.250 nan 0.000 0.539 172 H N -0.947 117.668 119.070 -0.759 0.000 2.906 172 H HA 0.307 4.918 4.556 0.092 0.000 0.324 172 H C -1.352 173.566 175.328 -0.682 0.000 0.973 172 H CA -0.525 55.078 56.048 -0.742 0.000 1.321 172 H CB 0.679 29.567 29.762 -1.457 0.000 1.535 172 H HN -0.056 nan 8.280 nan 0.000 0.518 173 W N 3.870 125.096 121.300 -0.123 0.000 2.632 173 W HA 0.580 5.295 4.660 0.090 0.000 0.328 173 W C -0.645 175.838 176.519 -0.060 0.000 1.044 173 W CA -0.708 56.552 57.345 -0.141 0.000 1.225 173 W CB 1.376 30.715 29.460 -0.200 0.000 1.396 173 W HN 0.359 nan 8.180 nan 0.000 0.499 174 I N 3.027 123.690 120.570 0.155 0.000 2.354 174 I HA 0.123 4.347 4.170 0.090 0.000 0.286 174 I C 1.382 177.529 176.117 0.051 0.000 1.007 174 I CA -0.257 61.054 61.300 0.018 0.000 1.167 174 I CB 1.725 39.692 38.000 -0.055 0.000 1.320 174 I HN 0.637 nan 8.210 nan 0.000 0.458 175 T N 4.676 119.258 114.554 0.048 0.000 2.737 175 T HA 0.069 4.473 4.350 0.090 0.000 0.265 175 T C 0.605 175.421 174.700 0.193 0.000 1.038 175 T CA 0.877 63.103 62.100 0.211 0.000 1.144 175 T CB -0.043 69.022 68.868 0.327 0.000 0.866 175 T HN 0.334 nan 8.240 nan 0.000 0.434 176 L N 1.368 122.562 121.223 -0.048 0.000 2.408 176 L HA 0.481 4.875 4.340 0.090 0.000 0.268 176 L C -0.536 176.156 176.870 -0.296 0.000 0.986 176 L CA -0.927 53.828 54.840 -0.142 0.000 0.820 176 L CB 2.086 43.924 42.059 -0.368 0.000 1.303 176 L HN 0.199 nan 8.230 nan 0.000 0.411 177 N N 3.324 121.866 118.700 -0.264 0.000 2.426 177 N HA 0.121 4.915 4.740 0.090 0.000 0.257 177 N C -0.690 174.649 175.510 -0.285 0.000 1.002 177 N CA -0.123 52.681 53.050 -0.410 0.000 0.942 177 N CB 0.848 38.828 38.487 -0.846 0.000 1.112 177 N HN 0.724 nan 8.380 nan 0.000 0.499 178 E N 1.717 121.710 120.200 -0.344 0.000 2.240 178 E HA -0.143 4.261 4.350 0.090 0.000 0.194 178 E C -1.804 174.487 176.600 -0.514 0.000 1.385 178 E CA -0.140 56.098 56.400 -0.269 0.000 0.686 178 E CB -0.493 29.195 29.700 -0.019 0.000 1.125 178 E HN 0.648 nan 8.360 nan 0.000 0.359 179 P HA -0.235 nan 4.420 nan 0.000 0.218 179 P C 1.200 177.983 177.300 -0.863 0.000 1.148 179 P CA 1.688 63.962 63.100 -1.375 0.000 0.822 179 P CB 0.071 30.739 31.700 -1.720 0.000 0.784 180 H N 0.318 118.913 119.070 -0.792 0.000 2.293 180 H HA -0.098 4.512 4.556 0.091 0.000 0.300 180 H C 1.742 176.982 175.328 -0.147 0.000 1.082 180 H CA 2.872 58.799 56.048 -0.200 0.000 1.308 180 H CB -0.779 29.043 29.762 0.099 0.000 1.375 180 H HN -0.074 nan 8.280 nan 0.000 0.495 181 T N 0.163 114.587 114.554 -0.216 0.000 2.665 181 T HA -0.188 4.216 4.350 0.090 0.000 0.268 181 T C 2.228 176.627 174.700 -0.502 0.000 1.035 181 T CA 1.698 63.596 62.100 -0.336 0.000 1.151 181 T CB -0.603 68.092 68.868 -0.289 0.000 0.862 181 T HN 0.167 nan 8.240 nan 0.000 0.438 182 V N 1.805 121.358 119.914 -0.602 0.000 2.255 182 V HA -0.214 3.960 4.120 0.090 0.000 0.247 182 V C 2.919 178.935 176.094 -0.131 0.000 1.051 182 V CA 1.840 63.839 62.300 -0.503 0.000 1.018 182 V CB -1.340 30.234 31.823 -0.414 0.000 0.641 182 V HN 0.559 nan 8.190 nan 0.000 0.445 183 A N -0.033 122.737 122.820 -0.083 0.000 1.908 183 A HA -0.178 4.196 4.320 0.090 0.000 0.218 183 A C 2.122 179.737 177.584 0.052 0.000 1.181 183 A CA 2.069 54.119 52.037 0.020 0.000 0.627 183 A CB -0.463 18.493 19.000 -0.073 0.000 0.818 183 A HN 0.431 nan 8.150 nan 0.000 0.445 184 I N -0.611 119.901 120.570 -0.098 0.000 2.206 184 I HA -0.115 4.110 4.170 0.090 0.000 0.239 184 I C 2.480 178.534 176.117 -0.105 0.000 1.078 184 I CA 1.028 62.271 61.300 -0.095 0.000 1.367 184 I CB -1.696 36.182 38.000 -0.202 0.000 1.078 184 I HN 0.323 nan 8.210 nan 0.000 0.413 185 Q N 0.663 120.344 119.800 -0.198 0.000 2.167 185 Q HA -0.031 4.364 4.340 0.090 0.000 0.202 185 Q C 2.217 178.057 176.000 -0.266 0.000 0.970 185 Q CA 1.495 57.164 55.803 -0.223 0.000 0.855 185 Q CB -0.588 27.970 28.738 -0.299 0.000 0.911 185 Q HN 0.580 nan 8.270 nan 0.000 0.438 186 G N -1.691 106.934 108.800 -0.293 0.000 2.603 186 G HA2 -0.088 3.926 3.960 0.090 0.000 0.214 186 G HA3 -0.088 3.926 3.960 0.090 0.000 0.214 186 G C 0.594 175.066 174.900 -0.714 0.000 1.140 186 G CA 0.177 44.956 45.100 -0.535 0.000 0.800 186 G HN 0.339 nan 8.290 nan 0.000 0.533 187 Y N -1.647 118.581 120.300 -0.119 0.000 2.590 187 Y HA 0.269 4.873 4.550 0.090 0.000 0.263 187 Y C 1.497 177.374 175.900 -0.038 0.000 1.069 187 Y CA -0.193 57.869 58.100 -0.064 0.000 1.242 187 Y CB 0.850 39.279 38.460 -0.053 0.000 1.357 187 Y HN 0.137 nan 8.280 nan 0.000 0.556 188 D N 0.024 120.467 120.400 0.072 0.000 2.995 188 D HA 0.153 4.847 4.640 0.090 0.000 0.289 188 D C 2.086 178.434 176.300 0.080 0.000 1.116 188 D CA 1.225 55.267 54.000 0.070 0.000 0.994 188 D CB 0.065 40.891 40.800 0.043 0.000 1.209 188 D HN 0.039 nan 8.370 nan 0.000 0.458 189 A N 0.019 122.834 122.820 -0.008 0.000 2.016 189 A HA 0.349 4.723 4.320 0.090 0.000 0.217 189 A C 1.786 179.310 177.584 -0.100 0.000 1.162 189 A CA 1.441 53.391 52.037 -0.145 0.000 0.662 189 A CB -0.776 18.148 19.000 -0.127 0.000 0.812 189 A HN 0.587 nan 8.150 nan 0.000 0.450 190 G N -0.837 107.936 108.800 -0.045 0.000 2.283 190 G HA2 -0.263 3.752 3.960 0.090 0.000 0.280 190 G HA3 -0.263 3.752 3.960 0.090 0.000 0.280 190 G C 0.579 175.538 174.900 0.098 0.000 1.029 190 G CA 0.704 45.812 45.100 0.014 0.000 0.840 190 G HN 0.494 nan 8.290 nan 0.000 0.505 191 L N -1.545 119.664 121.223 -0.022 0.000 2.554 191 L HA 0.275 4.670 4.340 0.090 0.000 0.225 191 L C 1.532 178.429 176.870 0.046 0.000 1.104 191 L CA 0.589 55.434 54.840 0.008 0.000 0.866 191 L CB 0.133 42.162 42.059 -0.051 0.000 1.047 191 L HN 0.399 nan 8.230 nan 0.000 0.468 192 Q N -0.706 118.915 119.800 -0.298 0.000 2.458 192 Q HA 0.610 5.005 4.340 0.090 0.000 0.282 192 Q C -0.488 174.604 176.000 -1.515 0.000 1.106 192 Q CA -0.834 54.541 55.803 -0.713 0.000 0.814 192 Q CB 2.408 30.943 28.738 -0.338 0.000 1.425 192 Q HN 0.128 nan 8.270 nan 0.000 0.437 193 A N 1.956 123.368 122.820 -2.346 0.000 2.531 193 A HA 0.171 4.546 4.320 0.090 0.000 0.236 193 A C -1.767 175.239 177.584 -0.963 0.000 1.062 193 A CA -0.667 50.212 52.037 -1.930 0.000 0.760 193 A CB -0.237 17.552 19.000 -2.019 0.000 0.995 193 A HN 0.504 nan 8.150 nan 0.000 0.501 194 P HA 0.157 nan 4.420 nan 0.000 0.257 194 P C 0.684 177.748 177.300 -0.394 0.000 1.325 194 P CA 0.907 63.698 63.100 -0.515 0.000 0.850 194 P CB 0.135 31.658 31.700 -0.295 0.000 1.324 195 G N 0.258 108.743 108.800 -0.524 0.000 2.165 195 G HA2 -0.226 3.788 3.960 0.090 0.000 0.226 195 G HA3 -0.226 3.788 3.960 0.090 0.000 0.226 195 G C -0.079 174.775 174.900 -0.077 0.000 1.035 195 G CA -0.537 44.488 45.100 -0.125 0.000 0.744 195 G HN 0.364 nan 8.290 nan 0.000 0.501 196 R N -0.708 119.655 120.500 -0.228 0.000 2.664 196 R HA 0.825 5.219 4.340 0.090 0.000 0.286 196 R C 0.388 176.656 176.300 -0.053 0.000 0.967 196 R CA 0.098 56.125 56.100 -0.122 0.000 0.933 196 R CB 1.885 32.097 30.300 -0.146 0.000 1.146 196 R HN 0.978 nan 8.270 nan 0.000 0.468 197 c N -1.429 117.177 118.600 0.009 0.000 3.216 197 c HA 0.372 4.996 4.570 0.090 0.000 0.346 197 c C -0.658 173.449 174.090 0.027 0.000 1.384 197 c CA -1.031 55.325 56.329 0.044 0.000 1.208 197 c CB 1.204 43.763 42.510 0.082 0.000 1.483 197 c HN 0.707 nan 8.230 nan 0.000 0.453 198 S N 0.871 116.586 115.700 0.026 0.000 2.466 198 S HA 0.169 4.693 4.470 0.090 0.000 0.286 198 S C 1.033 175.597 174.600 -0.059 0.000 1.221 198 S CA 0.385 58.576 58.200 -0.016 0.000 1.091 198 S CB 1.229 64.411 63.200 -0.030 0.000 0.956 198 S HN 1.261 nan 8.310 nan 0.000 0.501 199 V N 6.089 125.971 119.914 -0.054 0.000 2.568 199 V HA -0.149 4.025 4.120 0.090 0.000 0.253 199 V C 1.618 177.652 176.094 -0.101 0.000 1.072 199 V CA 1.793 64.046 62.300 -0.079 0.000 1.084 199 V CB -0.426 31.371 31.823 -0.043 0.000 0.676 199 V HN 0.889 nan 8.190 nan 0.000 0.469 200 L N -1.073 120.098 121.223 -0.088 0.000 2.275 200 L HA -0.120 4.275 4.340 0.090 0.000 0.215 200 L C 2.240 179.018 176.870 -0.155 0.000 1.119 200 L CA 1.234 56.017 54.840 -0.095 0.000 0.790 200 L CB -0.280 41.737 42.059 -0.070 0.000 0.919 200 L HN 0.342 nan 8.230 nan 0.000 0.443 201 L N -1.802 119.285 121.223 -0.227 0.000 2.253 201 L HA 0.022 4.417 4.340 0.090 0.000 0.205 201 L C 0.064 176.497 176.870 -0.729 0.000 1.078 201 L CA 0.417 54.993 54.840 -0.440 0.000 0.805 201 L CB 0.177 41.957 42.059 -0.465 0.000 0.963 201 L HN 0.280 nan 8.230 nan 0.000 0.459 202 H N -1.240 117.683 119.070 -0.246 0.000 3.078 202 H HA 0.228 4.839 4.556 0.091 0.000 0.319 202 H C 0.362 175.358 175.328 -0.553 0.000 0.995 202 H CA -0.412 55.332 56.048 -0.507 0.000 1.417 202 H CB 1.241 30.489 29.762 -0.857 0.000 1.598 202 H HN -0.089 nan 8.280 nan 0.000 0.515 203 L N 1.848 122.925 121.223 -0.243 0.000 2.265 203 L HA -0.192 4.202 4.340 0.090 0.000 0.215 203 L C 1.609 178.443 176.870 -0.060 0.000 1.117 203 L CA 1.241 56.017 54.840 -0.107 0.000 0.782 203 L CB -0.379 41.677 42.059 -0.005 0.000 0.914 203 L HN 0.747 nan 8.230 nan 0.000 0.441 204 Y N -2.125 118.226 120.300 0.085 0.000 2.439 204 Y HA 0.047 4.652 4.550 0.090 0.000 0.292 204 Y C 1.529 177.460 175.900 0.052 0.000 1.130 204 Y CA -1.170 56.966 58.100 0.060 0.000 1.254 204 Y CB -1.458 37.022 38.460 0.033 0.000 1.000 204 Y HN 0.001 nan 8.280 nan 0.000 0.554 205 c N 2.895 121.476 118.600 -0.030 0.000 2.644 205 c HA 0.085 4.709 4.570 0.090 0.000 0.417 205 c C 1.939 176.054 174.090 0.042 0.000 1.304 205 c CA -0.525 55.834 56.329 0.050 0.000 2.035 205 c CB 0.787 43.281 42.510 -0.027 0.000 2.673 205 c HN 0.594 nan 8.230 nan 0.000 0.602 206 K N 0.861 121.296 120.400 0.058 0.000 2.262 206 K HA 0.321 4.695 4.320 0.090 0.000 0.200 206 K C 0.512 177.129 176.600 0.028 0.000 1.049 206 K CA 0.958 57.272 56.287 0.045 0.000 0.979 206 K CB 0.188 32.719 32.500 0.052 0.000 0.773 206 K HN 0.884 nan 8.250 nan 0.000 0.474 207 A N -0.827 122.008 122.820 0.024 0.000 2.566 207 A HA 0.629 5.003 4.320 0.090 0.000 0.290 207 A C -0.663 176.935 177.584 0.024 0.000 1.071 207 A CA -0.282 51.769 52.037 0.022 0.000 0.658 207 A CB 1.025 20.041 19.000 0.027 0.000 1.285 207 A HN 0.322 nan 8.150 nan 0.000 0.427 208 G N -0.125 108.696 108.800 0.034 0.000 2.347 208 G HA2 0.453 4.467 3.960 0.090 0.000 0.341 208 G HA3 0.453 4.467 3.960 0.090 0.000 0.341 208 G C -1.733 173.197 174.900 0.050 0.000 1.287 208 G CA -0.039 45.094 45.100 0.055 0.000 0.984 208 G HN 1.778 nan 8.290 nan 0.000 0.526 209 N N -0.633 118.109 118.700 0.069 0.000 2.655 209 N HA 0.369 5.163 4.740 0.090 0.000 0.277 209 N C 0.715 176.266 175.510 0.068 0.000 1.177 209 N CA 0.165 53.247 53.050 0.054 0.000 0.882 209 N CB 1.601 40.117 38.487 0.048 0.000 1.481 209 N HN 0.412 nan 8.380 nan 0.000 0.547 210 S N 0.969 116.703 115.700 0.056 0.000 2.474 210 S HA 0.009 4.534 4.470 0.090 0.000 0.235 210 S C 1.616 176.251 174.600 0.058 0.000 0.997 210 S CA 1.118 59.355 58.200 0.061 0.000 0.949 210 S CB 0.171 63.407 63.200 0.060 0.000 0.766 210 S HN 0.693 nan 8.310 nan 0.000 0.517 211 G N 1.183 110.023 108.800 0.068 0.000 2.539 211 G HA2 -0.026 3.988 3.960 0.090 0.000 0.215 211 G HA3 -0.026 3.988 3.960 0.090 0.000 0.215 211 G C 1.418 176.429 174.900 0.185 0.000 1.141 211 G CA 1.157 46.322 45.100 0.109 0.000 0.806 211 G HN 0.620 nan 8.290 nan 0.000 0.533 212 T N -2.622 112.010 114.554 0.130 0.000 3.058 212 T HA 0.189 4.593 4.350 0.090 0.000 0.247 212 T C 1.810 176.573 174.700 0.105 0.000 0.987 212 T CA 0.524 62.708 62.100 0.139 0.000 1.062 212 T CB 0.060 68.965 68.868 0.061 0.000 1.048 212 T HN 0.214 nan 8.240 nan 0.000 0.468 213 E N 2.285 122.520 120.200 0.058 0.000 2.110 213 E HA -0.028 4.376 4.350 0.090 0.000 0.193 213 E C -0.717 175.821 176.600 -0.103 0.000 0.988 213 E CA 1.290 57.695 56.400 0.007 0.000 0.804 213 E CB -1.037 28.734 29.700 0.118 0.000 0.745 213 E HN 0.455 nan 8.360 nan 0.000 0.458 214 P HA -0.168 nan 4.420 nan 0.000 0.216 214 P C 0.728 177.957 177.300 -0.118 0.000 1.150 214 P CA 1.248 64.260 63.100 -0.147 0.000 0.837 214 P CB -0.087 31.487 31.700 -0.210 0.000 0.786 215 Y N -1.283 119.097 120.300 0.133 0.000 2.263 215 Y HA -0.105 4.499 4.550 0.090 0.000 0.292 215 Y C 2.367 178.250 175.900 -0.028 0.000 1.130 215 Y CA 0.626 58.799 58.100 0.122 0.000 1.179 215 Y CB -1.525 36.895 38.460 -0.067 0.000 0.998 215 Y HN -0.243 nan 8.280 nan 0.000 0.532 216 V N -1.012 118.893 119.914 -0.015 0.000 2.295 216 V HA -0.256 3.919 4.120 0.090 0.000 0.246 216 V C 2.265 178.159 176.094 -0.332 0.000 1.049 216 V CA 1.635 63.804 62.300 -0.218 0.000 1.024 216 V CB -0.964 30.746 31.823 -0.188 0.000 0.648 216 V HN 0.218 nan 8.190 nan 0.000 0.447 217 V N 0.426 120.167 119.914 -0.290 0.000 2.287 217 V HA -0.300 3.874 4.120 0.090 0.000 0.248 217 V C 2.752 178.741 176.094 -0.176 0.000 1.053 217 V CA 2.190 64.280 62.300 -0.350 0.000 1.027 217 V CB -1.238 30.180 31.823 -0.674 0.000 0.646 217 V HN 0.566 nan 8.190 nan 0.000 0.447 218 A N -1.191 121.618 122.820 -0.019 0.000 1.908 218 A HA -0.314 4.060 4.320 0.090 0.000 0.218 218 A C 2.246 179.956 177.584 0.210 0.000 1.181 218 A CA 2.159 54.257 52.037 0.101 0.000 0.627 218 A CB -0.966 17.797 19.000 -0.396 0.000 0.818 218 A HN 0.714 nan 8.150 nan 0.000 0.445 219 H N -1.226 117.874 119.070 0.051 0.000 2.353 219 H HA -0.173 4.437 4.556 0.090 0.000 0.300 219 H C 2.045 177.475 175.328 0.169 0.000 1.090 219 H CA 2.137 58.235 56.048 0.083 0.000 1.327 219 H CB -0.083 29.624 29.762 -0.091 0.000 1.383 219 H HN 0.801 nan 8.280 nan 0.000 0.508 220 H N -1.141 118.019 119.070 0.150 0.000 2.357 220 H HA -0.106 4.504 4.556 0.090 0.000 0.301 220 H C 2.293 177.731 175.328 0.183 0.000 1.082 220 H CA 0.880 57.000 56.048 0.119 0.000 1.342 220 H CB -0.108 29.720 29.762 0.110 0.000 1.389 220 H HN 0.287 nan 8.280 nan 0.000 0.511 221 F N 0.721 120.795 119.950 0.206 0.000 2.091 221 F HA -0.257 4.325 4.527 0.092 0.000 0.299 221 F C 2.362 178.253 175.800 0.151 0.000 1.103 221 F CA 0.939 58.922 58.000 -0.029 0.000 1.228 221 F CB -0.184 38.682 39.000 -0.224 0.000 0.984 221 F HN 0.087 nan 8.300 nan 0.000 0.477 222 I N -0.125 120.696 120.570 0.418 0.000 2.179 222 I HA -0.327 3.897 4.170 0.090 0.000 0.242 222 I C 2.209 178.520 176.117 0.323 0.000 1.088 222 I CA 1.301 62.810 61.300 0.348 0.000 1.357 222 I CB -0.490 37.568 38.000 0.097 0.000 1.051 222 I HN 0.127 nan 8.210 nan 0.000 0.409 223 L N 0.301 121.659 121.223 0.224 0.000 2.093 223 L HA -0.179 4.215 4.340 0.090 0.000 0.208 223 L C 2.821 179.828 176.870 0.228 0.000 1.085 223 L CA 1.171 56.125 54.840 0.191 0.000 0.755 223 L CB -0.726 41.411 42.059 0.129 0.000 0.904 223 L HN 0.243 nan 8.230 nan 0.000 0.435 224 A N -0.765 122.220 122.820 0.276 0.000 1.877 224 A HA -0.281 4.094 4.320 0.090 0.000 0.216 224 A C 2.313 180.094 177.584 0.327 0.000 1.186 224 A CA 1.728 53.948 52.037 0.304 0.000 0.620 224 A CB -0.946 18.223 19.000 0.282 0.000 0.822 224 A HN 0.506 nan 8.150 nan 0.000 0.443 225 H N 0.189 119.388 119.070 0.216 0.000 2.319 225 H HA -0.128 4.482 4.556 0.091 0.000 0.299 225 H C 2.283 177.716 175.328 0.176 0.000 1.092 225 H CA 1.984 58.142 56.048 0.183 0.000 1.302 225 H CB -0.285 29.535 29.762 0.097 0.000 1.373 225 H HN 0.393 nan 8.280 nan 0.000 0.497 226 A N 1.176 124.146 122.820 0.250 0.000 1.908 226 A HA -0.110 4.264 4.320 0.090 0.000 0.218 226 A C 2.731 180.339 177.584 0.041 0.000 1.181 226 A CA 1.980 54.109 52.037 0.153 0.000 0.627 226 A CB -1.059 18.058 19.000 0.195 0.000 0.818 226 A HN 0.607 nan 8.150 nan 0.000 0.445 227 A N -0.281 122.589 122.820 0.084 0.000 1.898 227 A HA 0.213 4.588 4.320 0.090 0.000 0.216 227 A C 2.503 180.109 177.584 0.037 0.000 1.181 227 A CA 1.948 54.023 52.037 0.064 0.000 0.620 227 A CB -0.978 18.076 19.000 0.090 0.000 0.819 227 A HN 1.038 nan 8.150 nan 0.000 0.442 228 A N -0.085 122.758 122.820 0.038 0.000 1.902 228 A HA 0.171 4.545 4.320 0.090 0.000 0.217 228 A C 2.489 180.083 177.584 0.016 0.000 1.181 228 A CA 2.035 54.075 52.037 0.006 0.000 0.623 228 A CB -0.975 18.019 19.000 -0.009 0.000 0.818 228 A HN 1.031 nan 8.150 nan 0.000 0.443 229 A N -0.559 122.156 122.820 -0.175 0.000 1.933 229 A HA -0.050 4.324 4.320 0.090 0.000 0.218 229 A C 2.431 179.998 177.584 -0.028 0.000 1.175 229 A CA 2.010 53.947 52.037 -0.167 0.000 0.628 229 A CB -0.802 18.019 19.000 -0.299 0.000 0.814 229 A HN 0.450 nan 8.150 nan 0.000 0.444 230 S N -0.070 115.621 115.700 -0.014 0.000 2.356 230 S HA -0.119 4.406 4.470 0.090 0.000 0.223 230 S C 1.809 176.419 174.600 0.017 0.000 1.032 230 S CA 1.487 59.687 58.200 0.001 0.000 1.005 230 S CB -0.495 62.709 63.200 0.006 0.000 0.867 230 S HN 0.551 nan 8.310 nan 0.000 0.449 231 I N 0.074 120.683 120.570 0.064 0.000 2.179 231 I HA -0.229 3.995 4.170 0.090 0.000 0.242 231 I C 2.283 178.498 176.117 0.163 0.000 1.088 231 I CA 1.511 62.888 61.300 0.127 0.000 1.357 231 I CB -0.421 37.699 38.000 0.201 0.000 1.051 231 I HN 0.254 nan 8.210 nan 0.000 0.409 232 Y N 1.897 122.165 120.300 -0.054 0.000 2.097 232 Y HA -0.271 4.334 4.550 0.091 0.000 0.282 232 Y C 2.767 178.561 175.900 -0.178 0.000 1.152 232 Y CA 1.693 59.602 58.100 -0.318 0.000 1.136 232 Y CB -0.290 37.713 38.460 -0.762 0.000 0.975 232 Y HN -0.020 nan 8.280 nan 0.000 0.498 233 R N -0.938 119.481 120.500 -0.135 0.000 2.081 233 R HA -0.132 4.262 4.340 0.090 0.000 0.235 233 R C 2.322 178.506 176.300 -0.193 0.000 1.131 233 R CA 2.048 58.044 56.100 -0.173 0.000 0.960 233 R CB -0.788 29.473 30.300 -0.065 0.000 0.856 233 R HN 0.535 nan 8.270 nan 0.000 0.436 234 T N -1.236 113.231 114.554 -0.146 0.000 2.857 234 T HA -0.024 4.380 4.350 0.090 0.000 0.266 234 T C 1.679 176.241 174.700 -0.229 0.000 1.048 234 T CA 0.909 62.920 62.100 -0.148 0.000 1.139 234 T CB 0.103 68.913 68.868 -0.097 0.000 0.874 234 T HN 0.185 nan 8.240 nan 0.000 0.455 235 K N -1.171 119.035 120.400 -0.323 0.000 2.399 235 K HA 0.288 4.662 4.320 0.090 0.000 0.196 235 K C 1.164 177.243 176.600 -0.867 0.000 1.117 235 K CA 0.156 56.088 56.287 -0.592 0.000 0.965 235 K CB 0.541 32.603 32.500 -0.730 0.000 0.983 235 K HN 0.348 nan 8.250 nan 0.000 0.531 236 Y N 0.305 120.372 120.300 -0.389 0.000 2.589 236 Y HA 0.212 4.816 4.550 0.091 0.000 0.271 236 Y C 1.959 177.481 175.900 -0.630 0.000 1.107 236 Y CA -0.130 57.692 58.100 -0.463 0.000 1.273 236 Y CB 0.329 38.515 38.460 -0.456 0.000 1.266 236 Y HN -0.207 nan 8.280 nan 0.000 0.504 237 K N 1.076 120.991 120.400 -0.808 0.000 2.057 237 K HA -0.152 4.222 4.320 0.090 0.000 0.207 237 K C 2.194 178.619 176.600 -0.292 0.000 1.049 237 K CA 1.254 57.122 56.287 -0.698 0.000 0.931 237 K CB -0.200 31.932 32.500 -0.614 0.000 0.714 237 K HN 0.274 nan 8.250 nan 0.000 0.440 238 A N 0.531 123.206 122.820 -0.242 0.000 1.902 238 A HA -0.177 4.197 4.320 0.090 0.000 0.217 238 A C 2.166 179.685 177.584 -0.108 0.000 1.181 238 A CA 2.411 54.360 52.037 -0.146 0.000 0.623 238 A CB -0.988 17.931 19.000 -0.135 0.000 0.818 238 A HN 0.621 nan 8.150 nan 0.000 0.443 239 T N -3.299 111.186 114.554 -0.115 0.000 3.009 239 T HA -0.001 4.403 4.350 0.090 0.000 0.258 239 T C 1.817 176.501 174.700 -0.026 0.000 1.063 239 T CA 1.112 63.175 62.100 -0.061 0.000 1.139 239 T CB -0.208 68.629 68.868 -0.052 0.000 0.890 239 T HN 0.552 nan 8.240 nan 0.000 0.471 240 Q N 0.829 120.613 119.800 -0.026 0.000 2.302 240 Q HA 0.149 4.544 4.340 0.090 0.000 0.202 240 Q C 0.087 176.108 176.000 0.034 0.000 0.936 240 Q CA 0.092 55.920 55.803 0.042 0.000 0.886 240 Q CB 0.074 28.891 28.738 0.131 0.000 0.986 240 Q HN 0.472 nan 8.270 nan 0.000 0.487 241 N N 0.607 119.304 118.700 -0.005 0.000 2.740 241 N HA -0.143 4.652 4.740 0.090 0.000 0.248 241 N C -0.233 175.293 175.510 0.027 0.000 1.062 241 N CA 0.821 53.874 53.050 0.004 0.000 0.704 241 N CB -1.287 37.197 38.487 -0.006 0.000 0.968 241 N HN 0.404 nan 8.380 nan 0.000 0.547 242 G N -0.352 108.526 108.800 0.131 0.000 2.795 242 G HA2 0.673 4.687 3.960 0.090 0.000 0.267 242 G HA3 0.673 4.687 3.960 0.090 0.000 0.267 242 G C -0.239 174.773 174.900 0.185 0.000 1.362 242 G CA -0.351 44.800 45.100 0.085 0.000 1.048 242 G HN 0.300 nan 8.290 nan 0.000 0.547 243 Q N -1.718 118.136 119.800 0.090 0.000 2.416 243 Q HA 0.705 5.099 4.340 0.090 0.000 0.281 243 Q C -2.101 173.979 176.000 0.133 0.000 1.067 243 Q CA -0.926 54.979 55.803 0.169 0.000 0.809 243 Q CB 2.266 31.162 28.738 0.263 0.000 1.418 243 Q HN 0.313 nan 8.270 nan 0.000 0.411 244 L N 0.934 122.164 121.223 0.011 0.000 2.362 244 L HA 0.908 5.302 4.340 0.090 0.000 0.275 244 L C -0.068 176.472 176.870 -0.550 0.000 0.998 244 L CA 0.141 54.879 54.840 -0.170 0.000 0.820 244 L CB 2.097 44.003 42.059 -0.255 0.000 1.270 244 L HN 0.945 nan 8.230 nan 0.000 0.415 245 G N 2.910 111.130 108.800 -0.967 0.000 2.975 245 G HA2 0.806 4.821 3.960 0.090 0.000 0.291 245 G HA3 0.806 4.821 3.960 0.090 0.000 0.291 245 G C -1.464 172.938 174.900 -0.829 0.000 1.334 245 G CA -0.438 43.774 45.100 -1.481 0.000 0.843 245 G HN 0.399 nan 8.290 nan 0.000 0.548 246 I N -0.138 119.901 120.570 -0.885 0.000 2.865 246 I HA 0.582 4.806 4.170 0.090 0.000 0.302 246 I C -0.208 175.400 176.117 -0.849 0.000 1.140 246 I CA -1.140 59.633 61.300 -0.877 0.000 1.021 246 I CB 2.555 39.783 38.000 -1.287 0.000 1.233 246 I HN 0.608 nan 8.210 nan 0.000 0.427 247 A N 5.287 127.703 122.820 -0.673 0.000 2.253 247 A HA 0.713 5.087 4.320 0.090 0.000 0.316 247 A C -1.146 176.128 177.584 -0.517 0.000 1.327 247 A CA -0.184 51.578 52.037 -0.457 0.000 0.917 247 A CB -0.156 18.669 19.000 -0.292 0.000 1.162 247 A HN 0.421 nan 8.150 nan 0.000 0.535 248 F N 2.622 122.501 119.950 -0.119 0.000 2.408 248 F HA 0.251 4.831 4.527 0.088 0.000 0.344 248 F C 0.716 176.481 175.800 -0.058 0.000 1.112 248 F CA -1.177 56.752 58.000 -0.119 0.000 1.096 248 F CB 1.284 40.264 39.000 -0.034 0.000 1.129 248 F HN 0.656 nan 8.300 nan 0.000 0.486 249 D N 2.617 123.086 120.400 0.115 0.000 2.383 249 D HA 0.265 4.959 4.640 0.090 0.000 0.252 249 D C -0.743 175.616 176.300 0.099 0.000 1.166 249 D CA -0.002 54.052 54.000 0.090 0.000 0.879 249 D CB 1.612 42.453 40.800 0.069 0.000 1.164 249 D HN 0.228 nan 8.370 nan 0.000 0.462 250 V N 3.549 123.538 119.914 0.125 0.000 2.509 250 V HA 0.152 4.327 4.120 0.090 0.000 0.289 250 V C 0.313 176.490 176.094 0.139 0.000 1.026 250 V CA -0.753 61.621 62.300 0.122 0.000 0.872 250 V CB 1.353 33.299 31.823 0.206 0.000 1.017 250 V HN 0.584 nan 8.190 nan 0.000 0.436 251 M N 4.029 123.565 119.600 -0.107 0.000 2.233 251 M HA 0.266 4.800 4.480 0.090 0.000 0.350 251 M C -0.081 175.964 176.300 -0.424 0.000 1.176 251 M CA 0.093 55.214 55.300 -0.298 0.000 1.150 251 M CB 1.129 33.313 32.600 -0.692 0.000 1.530 251 M HN 0.732 nan 8.290 nan 0.000 0.459 252 W N 3.438 124.568 121.300 -0.283 0.000 2.251 252 W HA 0.342 5.051 4.660 0.082 0.000 0.329 252 W C -1.995 174.218 176.519 -0.509 0.000 1.234 252 W CA -0.334 56.822 57.345 -0.315 0.000 1.228 252 W CB 0.717 30.153 29.460 -0.040 0.000 1.135 252 W HN 0.410 nan 8.180 nan 0.000 0.576 253 F N 3.290 122.606 119.950 -1.058 0.000 2.493 253 F HA 0.285 4.870 4.527 0.097 0.000 0.329 253 F C 0.015 175.342 175.800 -0.788 0.000 1.126 253 F CA -0.907 56.688 58.000 -0.676 0.000 0.937 253 F CB 1.573 40.295 39.000 -0.464 0.000 1.146 253 F HN 0.199 nan 8.300 nan 0.000 0.442 254 E N 4.230 124.369 120.200 -0.103 0.000 2.207 254 E HA 0.391 4.795 4.350 0.090 0.000 0.270 254 E C -2.573 174.129 176.600 0.169 0.000 0.927 254 E CA -2.348 54.086 56.400 0.056 0.000 0.799 254 E CB 1.736 31.542 29.700 0.175 0.000 1.172 254 E HN 0.183 nan 8.360 nan 0.000 0.404 255 P HA -0.032 nan 4.420 nan 0.000 0.271 255 P C 0.047 177.455 177.300 0.179 0.000 1.216 255 P CA 0.234 63.414 63.100 0.133 0.000 0.771 255 P CB 0.780 32.536 31.700 0.094 0.000 0.864 256 M N 1.788 121.463 119.600 0.125 0.000 2.374 256 M HA -0.067 4.467 4.480 0.090 0.000 0.264 256 M C 0.385 176.652 176.300 -0.056 0.000 1.067 256 M CA 1.285 56.594 55.300 0.014 0.000 1.103 256 M CB 0.081 32.687 32.600 0.009 0.000 1.402 256 M HN 0.504 nan 8.290 nan 0.000 0.444 257 S N -1.642 114.059 115.700 0.001 0.000 2.618 257 S HA 0.237 4.761 4.470 0.090 0.000 0.277 257 S C -0.630 173.983 174.600 0.021 0.000 1.138 257 S CA -1.038 57.158 58.200 -0.006 0.000 0.844 257 S CB 1.061 64.254 63.200 -0.012 0.000 1.127 257 S HN 0.349 nan 8.310 nan 0.000 0.474 258 N N 1.659 120.371 118.700 0.019 0.000 3.245 258 N HA 0.203 4.997 4.740 0.090 0.000 0.296 258 N C -0.448 175.074 175.510 0.020 0.000 1.254 258 N CA 0.038 53.105 53.050 0.030 0.000 1.190 258 N CB -0.141 38.365 38.487 0.031 0.000 1.460 258 N HN 0.790 nan 8.380 nan 0.000 0.538 259 T N -2.541 112.024 114.554 0.018 0.000 2.900 259 T HA 0.159 4.563 4.350 0.090 0.000 0.295 259 T C 1.539 176.244 174.700 0.009 0.000 1.044 259 T CA -0.664 61.440 62.100 0.007 0.000 0.995 259 T CB 1.561 70.426 68.868 -0.005 0.000 1.072 259 T HN 0.171 nan 8.240 nan 0.000 0.473 260 T N 0.348 114.903 114.554 0.001 0.000 2.833 260 T HA -0.091 4.313 4.350 0.090 0.000 0.269 260 T C 1.897 176.593 174.700 -0.006 0.000 1.054 260 T CA 0.483 62.585 62.100 0.004 0.000 1.135 260 T CB -0.526 68.342 68.868 -0.001 0.000 0.869 260 T HN 0.529 nan 8.240 nan 0.000 0.466 261 I N 2.385 122.935 120.570 -0.033 0.000 2.208 261 I HA -0.136 4.088 4.170 0.090 0.000 0.245 261 I C 2.047 178.166 176.117 0.004 0.000 1.097 261 I CA 1.645 62.906 61.300 -0.066 0.000 1.363 261 I CB -0.974 36.932 38.000 -0.155 0.000 1.051 261 I HN 0.267 nan 8.210 nan 0.000 0.413 262 D N 0.413 120.825 120.400 0.019 0.000 2.194 262 D HA -0.029 4.666 4.640 0.090 0.000 0.204 262 D C 2.314 178.638 176.300 0.040 0.000 0.964 262 D CA 0.708 54.733 54.000 0.042 0.000 0.846 262 D CB -0.001 40.823 40.800 0.039 0.000 0.962 262 D HN 0.289 nan 8.370 nan 0.000 0.490 263 I N 1.222 121.815 120.570 0.039 0.000 2.179 263 I HA -0.224 4.001 4.170 0.090 0.000 0.242 263 I C 2.261 178.403 176.117 0.043 0.000 1.088 263 I CA 1.047 62.375 61.300 0.048 0.000 1.357 263 I CB -0.032 38.000 38.000 0.053 0.000 1.051 263 I HN -0.107 nan 8.210 nan 0.000 0.409 264 E N 0.821 121.046 120.200 0.041 0.000 2.110 264 E HA -0.196 4.208 4.350 0.090 0.000 0.193 264 E C 2.321 178.947 176.600 0.044 0.000 0.988 264 E CA 1.420 57.849 56.400 0.047 0.000 0.804 264 E CB -0.369 29.357 29.700 0.043 0.000 0.745 264 E HN 0.518 nan 8.360 nan 0.000 0.458 265 A N 1.496 124.342 122.820 0.043 0.000 1.902 265 A HA -0.084 4.290 4.320 0.090 0.000 0.217 265 A C 2.435 179.973 177.584 -0.076 0.000 1.181 265 A CA 2.054 54.094 52.037 0.003 0.000 0.623 265 A CB -0.577 18.439 19.000 0.026 0.000 0.818 265 A HN 0.269 nan 8.150 nan 0.000 0.443 266 A N -0.167 122.617 122.820 -0.060 0.000 1.902 266 A HA -0.167 4.207 4.320 0.090 0.000 0.217 266 A C 2.121 179.638 177.584 -0.112 0.000 1.181 266 A CA 1.789 53.758 52.037 -0.113 0.000 0.623 266 A CB -0.428 18.532 19.000 -0.066 0.000 0.818 266 A HN 0.536 nan 8.150 nan 0.000 0.443 267 K N -0.891 119.492 120.400 -0.028 0.000 2.057 267 K HA -0.159 4.215 4.320 0.090 0.000 0.207 267 K C 2.376 179.023 176.600 0.077 0.000 1.049 267 K CA 1.515 57.828 56.287 0.044 0.000 0.931 267 K CB -0.178 32.387 32.500 0.108 0.000 0.714 267 K HN 0.486 nan 8.250 nan 0.000 0.440 268 R N 0.869 121.404 120.500 0.058 0.000 2.075 268 R HA -0.098 4.296 4.340 0.090 0.000 0.232 268 R C 2.217 178.591 176.300 0.122 0.000 1.126 268 R CA 1.296 57.471 56.100 0.126 0.000 0.963 268 R CB -0.187 30.162 30.300 0.081 0.000 0.858 268 R HN 0.174 nan 8.270 nan 0.000 0.435 269 A N 0.440 123.190 122.820 -0.117 0.000 1.933 269 A HA -0.229 4.146 4.320 0.090 0.000 0.218 269 A C 2.060 179.617 177.584 -0.045 0.000 1.175 269 A CA 1.548 53.393 52.037 -0.320 0.000 0.628 269 A CB -0.535 17.891 19.000 -0.957 0.000 0.814 269 A HN 0.403 nan 8.150 nan 0.000 0.444 270 Q N 0.084 119.936 119.800 0.087 0.000 2.084 270 Q HA -0.152 4.243 4.340 0.090 0.000 0.202 270 Q C 1.835 177.995 176.000 0.268 0.000 0.978 270 Q CA 2.156 58.089 55.803 0.217 0.000 0.844 270 Q CB -0.343 28.348 28.738 -0.079 0.000 0.898 270 Q HN 0.771 nan 8.270 nan 0.000 0.426 271 E N -1.231 119.133 120.200 0.274 0.000 2.150 271 E HA -0.141 4.264 4.350 0.090 0.000 0.193 271 E C 1.483 178.216 176.600 0.221 0.000 0.985 271 E CA 0.773 57.337 56.400 0.274 0.000 0.814 271 E CB -0.112 29.718 29.700 0.215 0.000 0.752 271 E HN 0.351 nan 8.360 nan 0.000 0.466 272 F N 0.901 120.917 119.950 0.110 0.000 2.558 272 F HA -0.072 4.509 4.527 0.089 0.000 0.298 272 F C 2.475 178.447 175.800 0.288 0.000 1.119 272 F CA 0.943 58.993 58.000 0.083 0.000 1.451 272 F CB 0.171 39.151 39.000 -0.034 0.000 1.091 272 F HN 0.006 nan 8.300 nan 0.000 0.563 273 Q N -0.438 119.604 119.800 0.404 0.000 2.263 273 Q HA -0.043 4.351 4.340 0.090 0.000 0.196 273 Q C 1.944 178.083 176.000 0.232 0.000 0.965 273 Q CA 0.720 56.637 55.803 0.190 0.000 0.851 273 Q CB -0.220 28.586 28.738 0.114 0.000 0.948 273 Q HN 0.362 nan 8.270 nan 0.000 0.516 274 L N 0.250 121.619 121.223 0.243 0.000 2.145 274 L HA 0.289 4.684 4.340 0.090 0.000 0.201 274 L C 2.103 179.117 176.870 0.239 0.000 1.075 274 L CA 2.201 57.153 54.840 0.186 0.000 0.773 274 L CB -0.834 41.365 42.059 0.232 0.000 0.936 274 L HN 0.304 nan 8.230 nan 0.000 0.451 275 G N -0.979 108.032 108.800 0.351 0.000 2.450 275 G HA2 -0.341 3.673 3.960 0.090 0.000 0.220 275 G HA3 -0.341 3.673 3.960 0.090 0.000 0.220 275 G C 1.358 176.452 174.900 0.323 0.000 1.130 275 G CA 0.688 46.012 45.100 0.373 0.000 0.760 275 G HN 0.558 nan 8.290 nan 0.000 0.557 276 W N 1.201 122.534 121.300 0.055 0.000 2.292 276 W HA -0.115 4.598 4.660 0.088 0.000 0.304 276 W C 1.808 178.177 176.519 -0.249 0.000 1.228 276 W CA 1.324 58.606 57.345 -0.105 0.000 1.241 276 W CB -0.658 28.681 29.460 -0.202 0.000 1.142 276 W HN 0.264 nan 8.180 nan 0.000 0.520 277 F N -0.952 119.102 119.950 0.174 0.000 2.419 277 F HA 0.225 4.806 4.527 0.090 0.000 0.283 277 F C 2.494 178.202 175.800 -0.154 0.000 1.044 277 F CA 1.189 59.160 58.000 -0.049 0.000 1.376 277 F CB -1.382 37.624 39.000 0.010 0.000 1.131 277 F HN -0.174 nan 8.300 nan 0.000 0.585 278 A N -0.008 122.778 122.820 -0.057 0.000 1.968 278 A HA -0.122 4.252 4.320 0.090 0.000 0.217 278 A C 1.660 179.212 177.584 -0.053 0.000 1.169 278 A CA 1.884 53.836 52.037 -0.141 0.000 0.638 278 A CB -0.744 17.967 19.000 -0.482 0.000 0.812 278 A HN 0.247 nan 8.150 nan 0.000 0.446 279 D N -0.128 120.347 120.400 0.125 0.000 2.097 279 D HA -0.071 4.623 4.640 0.090 0.000 0.195 279 D C -0.513 175.769 176.300 -0.031 0.000 0.989 279 D CA 1.456 55.582 54.000 0.211 0.000 0.827 279 D CB -1.301 39.763 40.800 0.440 0.000 0.966 279 D HN 0.290 nan 8.370 nan 0.000 0.456 280 P HA -0.131 nan 4.420 nan 0.000 0.215 280 P C 1.091 178.068 177.300 -0.539 0.000 1.157 280 P CA 0.997 63.787 63.100 -0.517 0.000 0.874 280 P CB -0.092 31.135 31.700 -0.788 0.000 0.790 281 F N -2.972 116.767 119.950 -0.352 0.000 2.407 281 F HA 0.012 4.593 4.527 0.090 0.000 0.299 281 F C 1.904 177.258 175.800 -0.743 0.000 1.097 281 F CA 1.036 58.718 58.000 -0.530 0.000 1.422 281 F CB -1.014 37.618 39.000 -0.613 0.000 1.067 281 F HN -0.101 nan 8.300 nan 0.000 0.539 282 F N -2.908 116.866 119.950 -0.293 0.000 2.559 282 F HA 0.144 4.725 4.527 0.090 0.000 0.286 282 F C 1.495 177.085 175.800 -0.350 0.000 1.108 282 F CA 0.502 58.230 58.000 -0.453 0.000 1.436 282 F CB -0.204 38.333 39.000 -0.770 0.000 1.130 282 F HN -0.191 nan 8.300 nan 0.000 0.584 283 F N -1.449 118.609 119.950 0.180 0.000 2.784 283 F HA 0.401 4.982 4.527 0.090 0.000 0.323 283 F C 1.724 177.517 175.800 -0.011 0.000 1.085 283 F CA 0.244 58.306 58.000 0.103 0.000 1.196 283 F CB 0.741 39.815 39.000 0.124 0.000 1.053 283 F HN -0.046 nan 8.300 nan 0.000 0.578 284 G N 0.929 109.724 108.800 -0.008 0.000 2.157 284 G HA2 -0.229 3.785 3.960 0.090 0.000 0.248 284 G HA3 -0.229 3.785 3.960 0.090 0.000 0.248 284 G C -0.533 174.229 174.900 -0.229 0.000 0.979 284 G CA 0.322 45.315 45.100 -0.178 0.000 0.650 284 G HN 0.361 nan 8.290 nan 0.000 0.529 285 D N -1.883 118.454 120.400 -0.104 0.000 2.622 285 D HA 0.515 5.210 4.640 0.090 0.000 0.255 285 D C -0.214 176.110 176.300 0.040 0.000 1.246 285 D CA -0.679 53.321 54.000 -0.001 0.000 0.795 285 D CB 0.593 41.467 40.800 0.124 0.000 1.369 285 D HN -0.059 nan 8.370 nan 0.000 0.425 286 Y N 0.416 120.869 120.300 0.255 0.000 2.511 286 Y HA 0.252 4.856 4.550 0.090 0.000 0.347 286 Y C -1.391 174.565 175.900 0.093 0.000 1.257 286 Y CA -0.969 57.223 58.100 0.153 0.000 1.469 286 Y CB -0.345 38.161 38.460 0.077 0.000 1.353 286 Y HN 0.093 nan 8.280 nan 0.000 0.617 287 P HA 0.017 nan 4.420 nan 0.000 0.266 287 P C -0.094 177.230 177.300 0.041 0.000 1.195 287 P CA 0.497 63.672 63.100 0.124 0.000 0.768 287 P CB 0.802 32.535 31.700 0.055 0.000 0.838 288 A N 2.894 125.739 122.820 0.043 0.000 1.948 288 A HA -0.239 4.135 4.320 0.090 0.000 0.220 288 A C 2.277 179.855 177.584 -0.010 0.000 1.177 288 A CA 2.595 54.642 52.037 0.016 0.000 0.636 288 A CB -1.843 17.167 19.000 0.017 0.000 0.815 288 A HN 0.557 nan 8.150 nan 0.000 0.449 289 T N -1.179 113.372 114.554 -0.005 0.000 2.833 289 T HA -0.124 4.280 4.350 0.090 0.000 0.269 289 T C 1.870 176.545 174.700 -0.041 0.000 1.054 289 T CA 1.805 63.928 62.100 0.038 0.000 1.135 289 T CB -0.387 68.571 68.868 0.150 0.000 0.869 289 T HN 0.471 nan 8.240 nan 0.000 0.466 290 M N -0.027 119.369 119.600 -0.340 0.000 2.123 290 M HA 0.039 4.573 4.480 0.090 0.000 0.263 290 M C 2.549 178.665 176.300 -0.307 0.000 1.069 290 M CA 1.448 56.396 55.300 -0.586 0.000 1.133 290 M CB -0.311 31.761 32.600 -0.879 0.000 1.356 290 M HN 0.120 nan 8.290 nan 0.000 0.415 291 R N 1.365 121.752 120.500 -0.188 0.000 2.083 291 R HA -0.106 4.288 4.340 0.090 0.000 0.237 291 R C 1.998 178.235 176.300 -0.104 0.000 1.137 291 R CA 2.319 58.343 56.100 -0.127 0.000 0.951 291 R CB -1.018 29.260 30.300 -0.037 0.000 0.851 291 R HN 0.346 nan 8.270 nan 0.000 0.434 292 A N 0.160 122.944 122.820 -0.060 0.000 1.908 292 A HA -0.149 4.226 4.320 0.090 0.000 0.218 292 A C 2.221 179.784 177.584 -0.034 0.000 1.181 292 A CA 1.882 53.900 52.037 -0.032 0.000 0.627 292 A CB -0.371 18.630 19.000 0.001 0.000 0.818 292 A HN 0.421 nan 8.150 nan 0.000 0.445 293 R N -1.570 118.923 120.500 -0.012 0.000 2.206 293 R HA 0.149 4.544 4.340 0.090 0.000 0.198 293 R C 1.636 177.894 176.300 -0.071 0.000 0.986 293 R CA 0.862 56.963 56.100 0.002 0.000 1.029 293 R CB 0.153 30.520 30.300 0.111 0.000 0.966 293 R HN 0.374 nan 8.270 nan 0.000 0.487 294 V N -0.229 119.589 119.914 -0.161 0.000 3.125 294 V HA 0.193 4.367 4.120 0.090 0.000 0.249 294 V C 1.472 177.387 176.094 -0.299 0.000 1.113 294 V CA 0.922 63.026 62.300 -0.327 0.000 1.106 294 V CB -0.126 31.294 31.823 -0.671 0.000 0.768 294 V HN 0.616 nan 8.190 nan 0.000 0.468 295 G N 1.174 109.837 108.800 -0.228 0.000 2.611 295 G HA2 -0.352 3.663 3.960 0.090 0.000 0.301 295 G HA3 -0.352 3.663 3.960 0.090 0.000 0.301 295 G C 0.746 175.527 174.900 -0.197 0.000 1.233 295 G CA 0.529 45.526 45.100 -0.172 0.000 0.993 295 G HN 0.322 nan 8.290 nan 0.000 0.553 296 E N 1.063 121.169 120.200 -0.157 0.000 2.418 296 E HA -0.017 4.387 4.350 0.090 0.000 0.197 296 E C 2.637 179.129 176.600 -0.179 0.000 1.026 296 E CA 0.656 56.969 56.400 -0.146 0.000 0.862 296 E CB -0.103 29.537 29.700 -0.101 0.000 0.799 296 E HN 0.573 nan 8.360 nan 0.000 0.518 297 R N 0.021 120.383 120.500 -0.229 0.000 2.307 297 R HA 0.044 4.438 4.340 0.090 0.000 0.199 297 R C 0.455 176.530 176.300 -0.374 0.000 1.000 297 R CA -0.047 55.905 56.100 -0.247 0.000 1.023 297 R CB 0.093 30.253 30.300 -0.233 0.000 0.908 297 R HN -0.064 nan 8.270 nan 0.000 0.473 298 L N 2.046 122.998 121.223 -0.451 0.000 2.262 298 L HA 0.369 4.764 4.340 0.090 0.000 0.288 298 L C -2.456 174.186 176.870 -0.381 0.000 1.035 298 L CA -2.489 52.034 54.840 -0.528 0.000 0.820 298 L CB 0.994 42.674 42.059 -0.633 0.000 1.204 298 L HN -0.213 nan 8.230 nan 0.000 0.424 299 P HA 0.157 nan 4.420 nan 0.000 0.269 299 P C -1.098 175.949 177.300 -0.421 0.000 1.217 299 P CA 0.009 62.779 63.100 -0.549 0.000 0.783 299 P CB 0.431 31.450 31.700 -1.135 0.000 0.898 300 R N 1.268 121.570 120.500 -0.331 0.000 2.460 300 R HA 0.444 4.839 4.340 0.090 0.000 0.303 300 R C -0.384 175.856 176.300 -0.100 0.000 0.968 300 R CA -0.657 55.361 56.100 -0.136 0.000 0.889 300 R CB 0.662 30.941 30.300 -0.036 0.000 1.123 300 R HN 0.364 nan 8.270 nan 0.000 0.455 301 F N 1.044 121.106 119.950 0.186 0.000 2.429 301 F HA 0.072 4.653 4.527 0.090 0.000 0.348 301 F C 1.630 177.479 175.800 0.082 0.000 1.109 301 F CA -0.133 57.960 58.000 0.154 0.000 1.232 301 F CB 0.668 39.693 39.000 0.042 0.000 1.157 301 F HN 0.473 nan 8.300 nan 0.000 0.564 302 T N -0.373 114.338 114.554 0.261 0.000 2.766 302 T HA 0.393 4.798 4.350 0.090 0.000 0.295 302 T C 1.230 176.014 174.700 0.141 0.000 1.024 302 T CA -0.353 61.842 62.100 0.157 0.000 1.018 302 T CB 1.103 70.040 68.868 0.115 0.000 1.002 302 T HN 0.691 nan 8.240 nan 0.000 0.532 303 A N 0.874 123.747 122.820 0.089 0.000 1.908 303 A HA -0.096 4.278 4.320 0.090 0.000 0.218 303 A C 2.066 179.678 177.584 0.046 0.000 1.181 303 A CA 1.780 53.853 52.037 0.061 0.000 0.627 303 A CB -1.054 17.972 19.000 0.044 0.000 0.818 303 A HN 0.905 nan 8.150 nan 0.000 0.445 304 D N -0.441 119.989 120.400 0.050 0.000 2.144 304 D HA -0.107 4.587 4.640 0.090 0.000 0.200 304 D C 1.934 178.258 176.300 0.039 0.000 0.978 304 D CA 1.377 55.401 54.000 0.038 0.000 0.833 304 D CB -0.340 40.483 40.800 0.039 0.000 0.961 304 D HN 0.662 nan 8.370 nan 0.000 0.470 305 E N 0.634 120.878 120.200 0.074 0.000 2.047 305 E HA -0.097 4.307 4.350 0.090 0.000 0.191 305 E C 2.136 178.717 176.600 -0.031 0.000 0.987 305 E CA 0.972 57.423 56.400 0.085 0.000 0.799 305 E CB -0.050 29.791 29.700 0.235 0.000 0.752 305 E HN 0.170 nan 8.360 nan 0.000 0.449 306 A N 1.348 124.138 122.820 -0.051 0.000 1.940 306 A HA -0.161 4.213 4.320 0.090 0.000 0.219 306 A C 2.346 179.848 177.584 -0.137 0.000 1.176 306 A CA 1.749 53.663 52.037 -0.203 0.000 0.631 306 A CB -0.620 18.321 19.000 -0.099 0.000 0.814 306 A HN 0.302 nan 8.150 nan 0.000 0.446 307 A N -0.298 122.489 122.820 -0.055 0.000 2.015 307 A HA 0.096 4.470 4.320 0.090 0.000 0.219 307 A C 2.177 179.743 177.584 -0.029 0.000 1.163 307 A CA 1.807 53.826 52.037 -0.030 0.000 0.646 307 A CB -0.814 18.183 19.000 -0.006 0.000 0.806 307 A HN 1.122 nan 8.150 nan 0.000 0.448 308 V N -3.842 116.054 119.914 -0.029 0.000 2.878 308 V HA 0.014 4.189 4.120 0.090 0.000 0.250 308 V C 2.014 178.107 176.094 -0.003 0.000 1.075 308 V CA 1.323 63.618 62.300 -0.008 0.000 1.096 308 V CB -0.557 31.274 31.823 0.013 0.000 0.724 308 V HN 0.122 nan 8.190 nan 0.000 0.467 309 V N 0.292 120.163 119.914 -0.071 0.000 2.407 309 V HA 0.005 4.180 4.120 0.090 0.000 0.245 309 V C 1.592 177.655 176.094 -0.051 0.000 1.041 309 V CA 1.466 63.713 62.300 -0.087 0.000 1.040 309 V CB -0.382 31.170 31.823 -0.452 0.000 0.671 309 V HN 0.561 nan 8.190 nan 0.000 0.455 310 K N 0.516 120.840 120.400 -0.127 0.000 2.412 310 K HA 0.314 4.689 4.320 0.090 0.000 0.284 310 K C 0.977 177.548 176.600 -0.049 0.000 1.046 310 K CA 0.815 57.044 56.287 -0.097 0.000 0.999 310 K CB 0.276 32.735 32.500 -0.069 0.000 0.941 310 K HN 0.444 nan 8.250 nan 0.000 0.474 311 G N 2.681 111.427 108.800 -0.090 0.000 2.143 311 G HA2 -0.323 3.692 3.960 0.090 0.000 0.249 311 G HA3 -0.323 3.692 3.960 0.090 0.000 0.249 311 G C 0.617 175.468 174.900 -0.081 0.000 0.981 311 G CA 0.346 45.397 45.100 -0.082 0.000 0.665 311 G HN 0.770 nan 8.290 nan 0.000 0.528 312 A N -0.642 122.145 122.820 -0.055 0.000 2.206 312 A HA 0.610 4.984 4.320 0.090 0.000 0.211 312 A C 1.159 178.702 177.584 -0.068 0.000 1.158 312 A CA 0.659 52.701 52.037 0.007 0.000 0.761 312 A CB 0.031 19.149 19.000 0.195 0.000 0.801 312 A HN 0.674 nan 8.150 nan 0.000 0.473 313 L N -0.176 120.861 121.223 -0.309 0.000 2.309 313 L HA 0.302 4.696 4.340 0.090 0.000 0.282 313 L C 0.179 176.943 176.870 -0.176 0.000 1.036 313 L CA -0.777 53.832 54.840 -0.385 0.000 0.806 313 L CB 1.321 43.025 42.059 -0.592 0.000 1.220 313 L HN 0.138 nan 8.230 nan 0.000 0.429 314 D N 1.855 122.175 120.400 -0.132 0.000 2.271 314 D HA 0.073 4.767 4.640 0.090 0.000 0.206 314 D C -0.137 176.297 176.300 0.224 0.000 0.967 314 D CA 1.131 55.174 54.000 0.071 0.000 0.867 314 D CB 0.475 41.371 40.800 0.159 0.000 0.960 314 D HN 0.325 nan 8.370 nan 0.000 0.509 315 F N -1.525 118.482 119.950 0.095 0.000 2.662 315 F HA 0.566 5.146 4.527 0.089 0.000 0.312 315 F C -1.321 174.561 175.800 0.136 0.000 1.113 315 F CA -1.443 56.664 58.000 0.177 0.000 0.951 315 F CB 1.145 40.333 39.000 0.313 0.000 1.344 315 F HN -0.417 nan 8.300 nan 0.000 0.462 316 V N 2.116 122.303 119.914 0.455 0.000 2.347 316 V HA 0.655 4.830 4.120 0.090 0.000 0.280 316 V C 0.449 176.824 176.094 0.469 0.000 1.021 316 V CA -0.476 62.037 62.300 0.355 0.000 0.847 316 V CB 0.969 33.033 31.823 0.402 0.000 0.990 316 V HN 1.124 nan 8.190 nan 0.000 0.444 317 G N 5.915 114.891 108.800 0.293 0.000 2.355 317 G HA2 0.543 4.558 3.960 0.090 0.000 0.276 317 G HA3 0.543 4.558 3.960 0.090 0.000 0.276 317 G C -0.488 174.521 174.900 0.182 0.000 1.198 317 G CA -0.326 44.928 45.100 0.258 0.000 0.876 317 G HN 0.479 nan 8.290 nan 0.000 0.478 318 I N 2.643 123.341 120.570 0.213 0.000 2.355 318 I HA 0.205 4.429 4.170 0.090 0.000 0.288 318 I C -0.711 175.481 176.117 0.125 0.000 0.999 318 I CA -1.194 60.230 61.300 0.207 0.000 1.163 318 I CB 1.471 39.608 38.000 0.230 0.000 1.316 318 I HN 0.292 nan 8.210 nan 0.000 0.454 319 N N 5.226 123.973 118.700 0.078 0.000 2.462 319 N HA 0.256 5.050 4.740 0.090 0.000 0.242 319 N C -0.626 174.888 175.510 0.005 0.000 1.010 319 N CA -0.209 52.824 53.050 -0.030 0.000 0.939 319 N CB 0.325 38.773 38.487 -0.064 0.000 1.127 319 N HN 0.513 nan 8.380 nan 0.000 0.509 320 H N 0.979 119.927 119.070 -0.203 0.000 2.759 320 H HA 0.331 4.936 4.556 0.083 0.000 0.354 320 H C -0.740 174.481 175.328 -0.179 0.000 1.074 320 H CA -0.489 55.523 56.048 -0.059 0.000 1.226 320 H CB 0.729 30.554 29.762 0.105 0.000 1.648 320 H HN 0.488 nan 8.280 nan 0.000 0.529 321 Y N 1.749 121.833 120.300 -0.361 0.000 2.652 321 Y HA 0.270 4.867 4.550 0.078 0.000 0.274 321 Y C 0.807 176.687 175.900 -0.034 0.000 1.148 321 Y CA 0.346 58.417 58.100 -0.048 0.000 1.219 321 Y CB 1.402 40.036 38.460 0.291 0.000 1.337 321 Y HN 0.590 nan 8.280 nan 0.000 0.490 322 T N -0.835 113.687 114.554 -0.054 0.000 2.792 322 T HA 0.554 4.959 4.350 0.090 0.000 0.303 322 T C -1.355 173.451 174.700 0.177 0.000 1.310 322 T CA -0.416 61.831 62.100 0.245 0.000 1.007 322 T CB 1.717 70.840 68.868 0.425 0.000 1.335 322 T HN -0.116 nan 8.240 nan 0.000 0.504 323 T N 2.462 117.180 114.554 0.272 0.000 2.881 323 T HA 0.698 5.102 4.350 0.090 0.000 0.290 323 T C -1.680 173.193 174.700 0.288 0.000 1.000 323 T CA -0.429 61.794 62.100 0.205 0.000 0.978 323 T CB 0.724 69.750 68.868 0.263 0.000 0.997 323 T HN 0.394 nan 8.240 nan 0.000 0.443 324 Y N 0.676 120.938 120.300 -0.063 0.000 2.587 324 Y HA 0.585 5.183 4.550 0.079 0.000 0.337 324 Y C -0.313 175.545 175.900 -0.069 0.000 1.065 324 Y CA -2.269 55.791 58.100 -0.065 0.000 1.126 324 Y CB 0.834 39.397 38.460 0.172 0.000 1.279 324 Y HN 0.545 nan 8.280 nan 0.000 0.489 325 Y N -0.147 120.294 120.300 0.234 0.000 2.301 325 Y HA 0.464 5.072 4.550 0.098 0.000 0.325 325 Y C 0.453 176.442 175.900 0.148 0.000 1.203 325 Y CA -0.304 57.884 58.100 0.147 0.000 1.255 325 Y CB 0.919 39.419 38.460 0.068 0.000 1.232 325 Y HN 0.312 nan 8.280 nan 0.000 0.501 326 T N 4.266 118.967 114.554 0.245 0.000 2.848 326 T HA 0.592 4.996 4.350 0.090 0.000 0.285 326 T C -0.638 174.093 174.700 0.051 0.000 0.995 326 T CA -1.121 61.021 62.100 0.070 0.000 0.970 326 T CB 1.079 69.887 68.868 -0.100 0.000 0.976 326 T HN 0.639 nan 8.240 nan 0.000 0.441 327 R N 0.980 121.493 120.500 0.021 0.000 2.854 327 R HA 0.645 5.040 4.340 0.090 0.000 0.271 327 R C -0.513 175.791 176.300 0.006 0.000 0.996 327 R CA -0.998 55.119 56.100 0.029 0.000 0.961 327 R CB 0.757 31.077 30.300 0.034 0.000 1.182 327 R HN 0.645 nan 8.270 nan 0.000 0.479 328 H N 0.796 119.837 119.070 -0.048 0.000 2.972 328 H HA 0.119 4.728 4.556 0.090 0.000 0.343 328 H C -0.998 174.296 175.328 -0.057 0.000 1.054 328 H CA 1.029 57.041 56.048 -0.059 0.000 1.412 328 H CB 0.632 30.368 29.762 -0.044 0.000 1.385 328 H HN 0.677 nan 8.280 nan 0.000 0.600 329 N N 2.740 121.128 118.700 -0.521 0.000 2.287 329 N HA 0.232 5.026 4.740 0.090 0.000 0.289 329 N C -1.881 173.419 175.510 -0.350 0.000 1.066 329 N CA -0.811 52.064 53.050 -0.291 0.000 0.841 329 N CB 1.205 39.580 38.487 -0.187 0.000 1.599 329 N HN 0.573 nan 8.380 nan 0.000 0.476 330 N N 1.152 119.762 118.700 -0.150 0.000 2.400 330 N HA 0.274 5.068 4.740 0.090 0.000 0.288 330 N C -0.783 174.681 175.510 -0.076 0.000 1.024 330 N CA -0.227 52.764 53.050 -0.098 0.000 0.894 330 N CB 1.501 39.983 38.487 -0.009 0.000 1.173 330 N HN 0.505 nan 8.380 nan 0.000 0.487 331 T N 1.789 116.294 114.554 -0.081 0.000 2.937 331 T HA 0.022 4.426 4.350 0.090 0.000 0.316 331 T C 0.627 175.302 174.700 -0.042 0.000 1.079 331 T CA -0.017 62.045 62.100 -0.062 0.000 1.131 331 T CB 0.121 68.951 68.868 -0.065 0.000 1.000 331 T HN 0.270 nan 8.240 nan 0.000 0.549 332 N N 2.139 120.818 118.700 -0.035 0.000 2.414 332 N HA -0.035 4.759 4.740 0.090 0.000 0.268 332 N C 1.039 176.534 175.510 -0.024 0.000 1.286 332 N CA -0.108 52.927 53.050 -0.026 0.000 0.896 332 N CB 0.357 38.830 38.487 -0.024 0.000 1.093 332 N HN 0.462 nan 8.380 nan 0.000 0.480 333 I N 3.849 124.408 120.570 -0.019 0.000 2.454 333 I HA -0.098 4.127 4.170 0.090 0.000 0.254 333 I C 0.797 176.903 176.117 -0.017 0.000 1.156 333 I CA 0.879 62.168 61.300 -0.018 0.000 1.433 333 I CB -0.063 37.929 38.000 -0.013 0.000 1.082 333 I HN 0.509 nan 8.210 nan 0.000 0.432 334 I N -0.752 119.808 120.570 -0.017 0.000 2.377 334 I HA 0.737 4.961 4.170 0.090 0.000 0.293 334 I C 0.151 176.257 176.117 -0.018 0.000 0.987 334 I CA -0.385 60.905 61.300 -0.016 0.000 1.185 334 I CB 0.868 38.860 38.000 -0.013 0.000 1.341 334 I HN 0.175 nan 8.210 nan 0.000 0.455 335 G N 2.947 111.736 108.800 -0.019 0.000 2.348 335 G HA2 0.040 4.055 3.960 0.090 0.000 0.606 335 G HA3 0.040 4.055 3.960 0.090 0.000 0.606 335 G C -0.650 174.236 174.900 -0.023 0.000 1.466 335 G CA -0.475 44.613 45.100 -0.021 0.000 0.950 335 G HN 0.955 nan 8.290 nan 0.000 0.657 336 T N 0.471 115.011 114.554 -0.025 0.000 2.814 336 T HA 0.509 4.913 4.350 0.090 0.000 0.297 336 T C 0.984 175.665 174.700 -0.031 0.000 0.956 336 T CA 0.122 62.206 62.100 -0.026 0.000 1.123 336 T CB -0.131 68.722 68.868 -0.025 0.000 0.902 336 T HN 1.638 nan 8.240 nan 0.000 0.528 337 L N 4.341 125.545 121.223 -0.031 0.000 2.360 337 L HA 0.568 4.962 4.340 0.090 0.000 0.276 337 L C -0.737 176.112 176.870 -0.035 0.000 1.121 337 L CA -0.479 54.340 54.840 -0.034 0.000 0.845 337 L CB 0.118 42.157 42.059 -0.033 0.000 1.143 337 L HN 0.531 nan 8.230 nan 0.000 0.452 338 L N 4.221 125.419 121.223 -0.041 0.000 2.313 338 L HA 0.396 4.790 4.340 0.090 0.000 0.273 338 L C -0.126 176.723 176.870 -0.034 0.000 1.028 338 L CA -0.523 54.292 54.840 -0.043 0.000 0.871 338 L CB 0.717 42.739 42.059 -0.062 0.000 1.242 338 L HN 0.692 nan 8.230 nan 0.000 0.434 339 N N 3.531 122.219 118.700 -0.020 0.000 2.356 339 N HA 0.042 4.836 4.740 0.090 0.000 0.252 339 N C -0.491 175.027 175.510 0.013 0.000 1.241 339 N CA 0.462 53.510 53.050 -0.003 0.000 0.861 339 N CB 0.596 39.089 38.487 0.009 0.000 1.075 339 N HN 0.734 nan 8.380 nan 0.000 0.461 340 N N -2.851 115.861 118.700 0.021 0.000 3.046 340 N HA 0.197 4.991 4.740 0.090 0.000 0.243 340 N C 0.517 176.047 175.510 0.033 0.000 1.452 340 N CA -0.686 52.383 53.050 0.031 0.000 0.882 340 N CB 0.480 38.978 38.487 0.018 0.000 1.425 340 N HN 0.229 nan 8.380 nan 0.000 0.517 341 T N -2.101 112.464 114.554 0.017 0.000 2.857 341 T HA -0.125 4.279 4.350 0.090 0.000 0.266 341 T C 1.512 176.189 174.700 -0.039 0.000 1.048 341 T CA 1.123 63.225 62.100 0.002 0.000 1.139 341 T CB -0.299 68.528 68.868 -0.067 0.000 0.874 341 T HN 0.368 nan 8.240 nan 0.000 0.455 342 L N 2.033 123.236 121.223 -0.034 0.000 2.017 342 L HA 0.221 4.615 4.340 0.090 0.000 0.208 342 L C 2.889 179.670 176.870 -0.148 0.000 1.073 342 L CA 1.835 56.628 54.840 -0.079 0.000 0.745 342 L CB -1.319 40.727 42.059 -0.021 0.000 0.894 342 L HN 0.361 nan 8.230 nan 0.000 0.432 343 A N -0.804 121.954 122.820 -0.104 0.000 1.908 343 A HA -0.245 4.129 4.320 0.090 0.000 0.218 343 A C 1.996 179.475 177.584 -0.174 0.000 1.181 343 A CA 1.958 53.922 52.037 -0.122 0.000 0.627 343 A CB -0.901 18.054 19.000 -0.075 0.000 0.818 343 A HN 0.548 nan 8.150 nan 0.000 0.445 344 D N -0.378 119.930 120.400 -0.153 0.000 2.182 344 D HA -0.131 4.563 4.640 0.090 0.000 0.201 344 D C 2.271 178.266 176.300 -0.508 0.000 0.986 344 D CA 1.978 55.873 54.000 -0.175 0.000 0.847 344 D CB -0.637 40.173 40.800 0.017 0.000 0.942 344 D HN 0.660 nan 8.370 nan 0.000 0.467 345 T N -2.430 111.650 114.554 -0.790 0.000 2.881 345 T HA 0.023 4.427 4.350 0.090 0.000 0.270 345 T C 1.764 176.010 174.700 -0.756 0.000 1.068 345 T CA 1.332 62.615 62.100 -1.361 0.000 1.131 345 T CB -0.388 67.928 68.868 -0.921 0.000 0.871 345 T HN 0.237 nan 8.240 nan 0.000 0.479 346 G N 1.515 110.027 108.800 -0.479 0.000 2.198 346 G HA2 -0.192 3.822 3.960 0.090 0.000 0.260 346 G HA3 -0.192 3.822 3.960 0.090 0.000 0.260 346 G C 0.215 174.848 174.900 -0.444 0.000 1.025 346 G CA 0.852 45.705 45.100 -0.412 0.000 0.769 346 G HN 1.409 nan 8.290 nan 0.000 0.507 347 T N -3.866 110.467 114.554 -0.369 0.000 2.883 347 T HA 0.753 5.157 4.350 0.090 0.000 0.296 347 T C -0.825 173.752 174.700 -0.205 0.000 1.117 347 T CA -0.432 61.494 62.100 -0.290 0.000 1.006 347 T CB 3.095 71.778 68.868 -0.310 0.000 1.191 347 T HN 0.932 nan 8.240 nan 0.000 0.508 348 V N 1.625 121.458 119.914 -0.134 0.000 2.638 348 V HA 0.684 4.859 4.120 0.090 0.000 0.306 348 V C -0.458 175.627 176.094 -0.015 0.000 1.052 348 V CA -0.672 61.593 62.300 -0.058 0.000 0.885 348 V CB 2.150 33.959 31.823 -0.022 0.000 0.999 348 V HN 1.123 nan 8.190 nan 0.000 0.424 349 S N 5.474 121.205 115.700 0.051 0.000 2.473 349 S HA 0.864 5.388 4.470 0.090 0.000 0.307 349 S C -1.130 173.649 174.600 0.299 0.000 1.094 349 S CA -0.501 57.808 58.200 0.181 0.000 1.070 349 S CB 1.535 64.846 63.200 0.184 0.000 1.019 349 S HN 0.404 nan 8.310 nan 0.000 0.480 350 L N 3.881 125.237 121.223 0.222 0.000 2.466 350 L HA 0.558 4.952 4.340 0.090 0.000 0.258 350 L C -2.159 174.535 176.870 -0.293 0.000 0.973 350 L CA -1.811 53.019 54.840 -0.017 0.000 0.826 350 L CB 2.117 44.246 42.059 0.117 0.000 1.372 350 L HN 0.301 nan 8.230 nan 0.000 0.409 351 P HA 0.136 nan 4.420 nan 0.000 0.255 351 P C -0.552 176.225 177.300 -0.873 0.000 1.301 351 P CA 0.428 62.851 63.100 -1.129 0.000 0.817 351 P CB -0.094 30.363 31.700 -2.072 0.000 1.259 352 F N 0.341 120.261 119.950 -0.051 0.000 2.551 352 F HA 0.522 5.113 4.527 0.107 0.000 0.316 352 F C 0.636 176.464 175.800 0.046 0.000 1.089 352 F CA -0.954 57.072 58.000 0.043 0.000 0.915 352 F CB 2.786 41.765 39.000 -0.035 0.000 1.186 352 F HN -0.398 nan 8.300 nan 0.000 0.456 353 K N 2.281 122.725 120.400 0.074 0.000 2.545 353 K HA 0.366 4.740 4.320 0.090 0.000 0.252 353 K C -0.601 175.959 176.600 -0.066 0.000 0.948 353 K CA -0.483 55.666 56.287 -0.230 0.000 0.827 353 K CB 0.649 32.658 32.500 -0.817 0.000 1.128 353 K HN 0.830 nan 8.250 nan 0.000 0.429 354 N N 3.149 121.825 118.700 -0.040 0.000 2.735 354 N HA -0.244 4.550 4.740 0.090 0.000 0.248 354 N C 0.464 175.987 175.510 0.021 0.000 1.083 354 N CA 0.612 53.653 53.050 -0.015 0.000 0.703 354 N CB -0.912 37.558 38.487 -0.028 0.000 1.005 354 N HN 1.073 nan 8.380 nan 0.000 0.550 355 G N -0.312 108.517 108.800 0.048 0.000 2.184 355 G HA2 -0.410 3.605 3.960 0.090 0.000 0.264 355 G HA3 -0.410 3.605 3.960 0.090 0.000 0.264 355 G C 0.036 175.054 174.900 0.197 0.000 0.975 355 G CA 0.877 46.001 45.100 0.040 0.000 0.642 355 G HN 0.587 nan 8.290 nan 0.000 0.536 356 K N 1.687 122.229 120.400 0.235 0.000 2.240 356 K HA 0.489 4.863 4.320 0.090 0.000 0.271 356 K C -2.205 174.582 176.600 0.312 0.000 1.018 356 K CA -2.248 54.188 56.287 0.248 0.000 0.874 356 K CB 1.787 34.369 32.500 0.136 0.000 1.098 356 K HN 0.059 nan 8.250 nan 0.000 0.458 357 P HA -0.038 nan 4.420 nan 0.000 0.269 357 P C 0.636 177.930 177.300 -0.009 0.000 1.209 357 P CA 0.040 63.062 63.100 -0.131 0.000 0.776 357 P CB 0.764 32.470 31.700 0.011 0.000 0.876 358 I N 0.257 120.738 120.570 -0.149 0.000 2.614 358 I HA -0.018 4.206 4.170 0.090 0.000 0.258 358 I C 0.870 177.019 176.117 0.054 0.000 1.189 358 I CA 1.328 62.606 61.300 -0.037 0.000 1.462 358 I CB -0.241 37.532 38.000 -0.377 0.000 1.092 358 I HN 0.581 nan 8.210 nan 0.000 0.442 359 G N -0.801 108.077 108.800 0.130 0.000 2.430 359 G HA2 0.152 4.166 3.960 0.090 0.000 0.300 359 G HA3 0.152 4.166 3.960 0.090 0.000 0.300 359 G C -1.734 173.298 174.900 0.221 0.000 1.330 359 G CA -0.705 44.502 45.100 0.178 0.000 0.813 359 G HN -0.058 nan 8.290 nan 0.000 0.487 360 D N -0.049 120.435 120.400 0.140 0.000 2.378 360 D HA 0.365 5.060 4.640 0.090 0.000 0.238 360 D C 0.514 176.793 176.300 -0.035 0.000 1.180 360 D CA 0.443 54.484 54.000 0.068 0.000 0.895 360 D CB 0.830 41.662 40.800 0.052 0.000 1.192 360 D HN 0.418 nan 8.370 nan 0.000 0.438 361 R N 0.215 120.595 120.500 -0.199 0.000 2.637 361 R HA 0.649 5.043 4.340 0.090 0.000 0.291 361 R C -0.469 175.643 176.300 -0.314 0.000 0.963 361 R CA -0.755 55.056 56.100 -0.482 0.000 0.901 361 R CB 1.577 31.424 30.300 -0.756 0.000 1.160 361 R HN 0.496 nan 8.270 nan 0.000 0.457 362 A N 1.966 124.570 122.820 -0.359 0.000 2.260 362 A HA 0.042 4.416 4.320 0.090 0.000 0.278 362 A C 0.965 178.325 177.584 -0.372 0.000 1.269 362 A CA 0.115 51.940 52.037 -0.352 0.000 0.824 362 A CB 0.012 18.742 19.000 -0.449 0.000 1.238 362 A HN 0.947 nan 8.150 nan 0.000 0.507 363 N N -0.305 118.171 118.700 -0.372 0.000 2.069 363 N HA -0.106 4.689 4.740 0.090 0.000 0.191 363 N C 0.579 175.879 175.510 -0.350 0.000 1.031 363 N CA 1.707 54.569 53.050 -0.313 0.000 0.852 363 N CB -0.251 38.059 38.487 -0.294 0.000 1.018 363 N HN 0.451 nan 8.380 nan 0.000 0.423 364 S N 0.104 115.490 115.700 -0.523 0.000 2.537 364 S HA 0.036 4.560 4.470 0.090 0.000 0.286 364 S C 1.219 175.479 174.600 -0.567 0.000 1.299 364 S CA -0.375 57.458 58.200 -0.612 0.000 1.067 364 S CB 0.657 63.180 63.200 -1.129 0.000 0.864 364 S HN 0.322 nan 8.310 nan 0.000 0.494 365 I N 4.144 124.561 120.570 -0.255 0.000 2.567 365 I HA -0.106 4.118 4.170 0.090 0.000 0.257 365 I C 1.702 177.894 176.117 0.124 0.000 1.184 365 I CA 1.194 62.475 61.300 -0.031 0.000 1.451 365 I CB -0.151 37.925 38.000 0.127 0.000 1.089 365 I HN 0.872 nan 8.210 nan 0.000 0.441 366 W N -0.787 120.627 121.300 0.189 0.000 3.197 366 W HA 0.241 4.961 4.660 0.099 0.000 0.274 366 W C 0.260 177.023 176.519 0.407 0.000 1.297 366 W CA -0.379 57.185 57.345 0.364 0.000 1.662 366 W CB -0.779 28.856 29.460 0.291 0.000 1.106 366 W HN -0.026 nan 8.180 nan 0.000 0.663 367 L N 2.405 123.418 121.223 -0.350 0.000 2.314 367 L HA 0.368 4.762 4.340 0.090 0.000 0.275 367 L C -1.221 175.538 176.870 -0.185 0.000 1.068 367 L CA -0.745 53.892 54.840 -0.339 0.000 0.894 367 L CB 0.130 41.602 42.059 -0.979 0.000 1.275 367 L HN -0.225 nan 8.230 nan 0.000 0.432 368 Y N 3.797 124.193 120.300 0.161 0.000 2.334 368 Y HA 0.369 4.962 4.550 0.073 0.000 0.328 368 Y C 0.386 176.434 175.900 0.247 0.000 1.130 368 Y CA -0.515 57.669 58.100 0.139 0.000 1.163 368 Y CB 1.615 40.127 38.460 0.087 0.000 1.207 368 Y HN 0.340 nan 8.280 nan 0.000 0.471 369 I N 4.354 125.126 120.570 0.335 0.000 2.291 369 I HA 0.218 4.442 4.170 0.090 0.000 0.292 369 I C -0.830 175.471 176.117 0.307 0.000 1.064 369 I CA -0.299 61.253 61.300 0.421 0.000 1.269 369 I CB 0.227 38.439 38.000 0.353 0.000 1.418 369 I HN 0.286 nan 8.210 nan 0.000 0.485 370 V N 8.190 128.286 119.914 0.303 0.000 2.564 370 V HA 0.168 4.343 4.120 0.090 0.000 0.259 370 V C -1.844 174.101 176.094 -0.248 0.000 0.936 370 V CA -0.848 61.500 62.300 0.080 0.000 0.867 370 V CB 1.039 32.951 31.823 0.147 0.000 1.076 370 V HN 0.521 nan 8.190 nan 0.000 0.476 371 P HA -0.194 nan 4.420 nan 0.000 0.217 371 P C 1.746 178.711 177.300 -0.558 0.000 1.148 371 P CA 1.386 63.866 63.100 -1.032 0.000 0.828 371 P CB 0.103 31.472 31.700 -0.552 0.000 0.783 372 R N -0.791 119.542 120.500 -0.279 0.000 2.152 372 R HA -0.024 4.371 4.340 0.090 0.000 0.232 372 R C 2.300 178.473 176.300 -0.212 0.000 1.117 372 R CA 1.698 57.684 56.100 -0.189 0.000 0.981 372 R CB -1.895 28.349 30.300 -0.093 0.000 0.870 372 R HN 0.101 nan 8.270 nan 0.000 0.451 373 G N 1.557 110.275 108.800 -0.136 0.000 2.450 373 G HA2 -0.323 3.692 3.960 0.090 0.000 0.220 373 G HA3 -0.323 3.692 3.960 0.090 0.000 0.220 373 G C 1.367 176.074 174.900 -0.322 0.000 1.130 373 G CA 0.954 46.000 45.100 -0.090 0.000 0.760 373 G HN 0.340 nan 8.290 nan 0.000 0.557 374 M N 0.433 119.896 119.600 -0.229 0.000 2.117 374 M HA 0.046 4.581 4.480 0.090 0.000 0.262 374 M C 2.357 178.491 176.300 -0.277 0.000 1.065 374 M CA 1.731 56.874 55.300 -0.261 0.000 1.114 374 M CB -0.373 32.234 32.600 0.011 0.000 1.361 374 M HN 0.233 nan 8.290 nan 0.000 0.408 375 R N -0.932 119.413 120.500 -0.258 0.000 2.073 375 R HA -0.061 4.333 4.340 0.090 0.000 0.229 375 R C 2.018 178.114 176.300 -0.339 0.000 1.120 375 R CA 1.737 57.700 56.100 -0.227 0.000 0.967 375 R CB -0.269 29.928 30.300 -0.171 0.000 0.862 375 R HN 0.444 nan 8.270 nan 0.000 0.436 376 S N 1.190 116.567 115.700 -0.538 0.000 2.370 376 S HA -0.160 4.364 4.470 0.090 0.000 0.226 376 S C 1.699 175.648 174.600 -1.085 0.000 1.033 376 S CA 1.201 58.891 58.200 -0.850 0.000 1.011 376 S CB -0.320 62.105 63.200 -1.292 0.000 0.852 376 S HN 0.269 nan 8.310 nan 0.000 0.457 377 L N 1.532 122.127 121.223 -1.046 0.000 2.056 377 L HA 0.023 4.418 4.340 0.090 0.000 0.207 377 L C 2.096 178.857 176.870 -0.182 0.000 1.078 377 L CA 1.697 56.184 54.840 -0.589 0.000 0.749 377 L CB -0.714 41.118 42.059 -0.378 0.000 0.901 377 L HN 0.184 nan 8.230 nan 0.000 0.433 378 M N -0.491 119.002 119.600 -0.178 0.000 2.108 378 M HA -0.228 4.306 4.480 0.090 0.000 0.261 378 M C 2.106 178.393 176.300 -0.021 0.000 1.066 378 M CA 1.756 57.031 55.300 -0.043 0.000 1.107 378 M CB -1.724 30.856 32.600 -0.034 0.000 1.356 378 M HN 0.386 nan 8.290 nan 0.000 0.406 379 N N -0.703 117.950 118.700 -0.079 0.000 2.120 379 N HA -0.202 4.592 4.740 0.090 0.000 0.188 379 N C 1.665 177.183 175.510 0.014 0.000 1.024 379 N CA 1.167 54.192 53.050 -0.042 0.000 0.852 379 N CB -0.405 38.041 38.487 -0.068 0.000 1.003 379 N HN 0.310 nan 8.380 nan 0.000 0.424 380 Y N 1.234 121.483 120.300 -0.085 0.000 2.128 380 Y HA -0.223 4.383 4.550 0.092 0.000 0.284 380 Y C 2.028 177.956 175.900 0.046 0.000 1.154 380 Y CA 1.282 59.410 58.100 0.047 0.000 1.149 380 Y CB -0.405 38.185 38.460 0.217 0.000 0.976 380 Y HN -0.150 nan 8.280 nan 0.000 0.505 381 V N 0.980 121.009 119.914 0.191 0.000 2.358 381 V HA -0.301 3.873 4.120 0.090 0.000 0.246 381 V C 2.433 178.538 176.094 0.019 0.000 1.047 381 V CA 2.268 64.676 62.300 0.179 0.000 1.035 381 V CB -0.740 31.250 31.823 0.278 0.000 0.658 381 V HN 0.379 nan 8.190 nan 0.000 0.452 382 K N -0.148 120.255 120.400 0.006 0.000 2.032 382 K HA -0.243 4.131 4.320 0.090 0.000 0.209 382 K C 2.176 178.727 176.600 -0.082 0.000 1.048 382 K CA 1.825 58.100 56.287 -0.021 0.000 0.927 382 K CB -0.091 32.404 32.500 -0.008 0.000 0.712 382 K HN 0.374 nan 8.250 nan 0.000 0.441 383 E N 0.362 120.484 120.200 -0.130 0.000 2.046 383 E HA -0.161 4.243 4.350 0.090 0.000 0.190 383 E C 2.119 178.563 176.600 -0.260 0.000 0.982 383 E CA 0.993 57.296 56.400 -0.161 0.000 0.800 383 E CB -0.185 29.431 29.700 -0.141 0.000 0.756 383 E HN 0.332 nan 8.360 nan 0.000 0.449 384 R N -0.471 119.735 120.500 -0.489 0.000 2.090 384 R HA -0.093 4.301 4.340 0.090 0.000 0.228 384 R C 0.932 176.881 176.300 -0.586 0.000 1.110 384 R CA 0.990 56.674 56.100 -0.693 0.000 0.973 384 R CB 0.097 29.644 30.300 -1.255 0.000 0.869 384 R HN 0.157 nan 8.270 nan 0.000 0.440 385 Y N 0.442 120.601 120.300 -0.236 0.000 2.584 385 Y HA 0.320 4.923 4.550 0.089 0.000 0.254 385 Y C -0.295 175.399 175.900 -0.344 0.000 1.177 385 Y CA -0.871 56.934 58.100 -0.491 0.000 1.216 385 Y CB 0.348 38.125 38.460 -1.138 0.000 1.172 385 Y HN 0.051 nan 8.280 nan 0.000 0.529 386 N N 0.385 119.049 118.700 -0.061 0.000 2.746 386 N HA -0.223 4.571 4.740 0.090 0.000 0.250 386 N C 0.181 175.694 175.510 0.004 0.000 1.055 386 N CA 1.060 54.108 53.050 -0.005 0.000 0.699 386 N CB -1.506 37.014 38.487 0.056 0.000 0.919 386 N HN 0.266 nan 8.380 nan 0.000 0.548 387 S N -1.711 113.984 115.700 -0.008 0.000 3.697 387 S HA -0.141 4.383 4.470 0.090 0.000 0.388 387 S C -1.805 172.828 174.600 0.055 0.000 0.941 387 S CA 0.252 58.466 58.200 0.023 0.000 1.247 387 S CB -0.376 62.841 63.200 0.028 0.000 0.904 387 S HN 0.502 nan 8.310 nan 0.000 0.518 388 P HA 0.376 nan 4.420 nan 0.000 0.274 388 P C -2.707 174.689 177.300 0.159 0.000 1.237 388 P CA -1.490 61.697 63.100 0.146 0.000 0.793 388 P CB -0.146 31.666 31.700 0.186 0.000 0.977 389 P HA 0.133 nan 4.420 nan 0.000 0.271 389 P C -0.628 176.800 177.300 0.213 0.000 1.216 389 P CA 0.202 63.395 63.100 0.155 0.000 0.771 389 P CB 0.403 32.215 31.700 0.188 0.000 0.864 390 V N 4.441 124.411 119.914 0.093 0.000 2.604 390 V HA 0.384 4.558 4.120 0.090 0.000 0.305 390 V C -0.773 175.301 176.094 -0.033 0.000 1.043 390 V CA -0.504 61.892 62.300 0.159 0.000 0.888 390 V CB 1.417 33.335 31.823 0.158 0.000 0.995 390 V HN 0.386 nan 8.190 nan 0.000 0.429 391 Y N 3.461 123.837 120.300 0.126 0.000 2.393 391 Y HA 0.532 5.136 4.550 0.089 0.000 0.341 391 Y C 0.223 176.188 175.900 0.108 0.000 0.988 391 Y CA -1.095 57.024 58.100 0.032 0.000 1.078 391 Y CB 1.708 40.119 38.460 -0.082 0.000 1.203 391 Y HN 0.355 nan 8.280 nan 0.000 0.453 392 I N 3.657 124.380 120.570 0.257 0.000 2.389 392 I HA 0.001 4.226 4.170 0.090 0.000 0.295 392 I C 1.229 177.450 176.117 0.174 0.000 1.117 392 I CA 0.149 61.578 61.300 0.214 0.000 1.317 392 I CB -0.214 37.951 38.000 0.276 0.000 1.431 392 I HN 0.763 nan 8.210 nan 0.000 0.521 393 T N 1.818 116.438 114.554 0.111 0.000 3.113 393 T HA 0.175 4.579 4.350 0.090 0.000 0.256 393 T C 0.610 175.295 174.700 -0.025 0.000 1.131 393 T CA 0.150 62.242 62.100 -0.012 0.000 1.074 393 T CB 0.480 69.290 68.868 -0.096 0.000 0.944 393 T HN 0.582 nan 8.240 nan 0.000 0.516 394 E N 0.331 120.509 120.200 -0.036 0.000 2.397 394 E HA 0.454 4.859 4.350 0.090 0.000 0.293 394 E C -1.923 174.553 176.600 -0.207 0.000 0.930 394 E CA -0.617 55.750 56.400 -0.056 0.000 0.793 394 E CB 1.562 31.174 29.700 -0.147 0.000 1.259 394 E HN 0.242 nan 8.360 nan 0.000 0.406 395 N N 1.928 120.562 118.700 -0.110 0.000 2.431 395 N HA 0.729 5.523 4.740 0.090 0.000 0.275 395 N C -1.100 174.619 175.510 0.348 0.000 1.091 395 N CA 0.184 53.204 53.050 -0.050 0.000 0.922 395 N CB 2.111 40.688 38.487 0.149 0.000 1.666 395 N HN 0.646 nan 8.380 nan 0.000 0.484 396 G N 0.703 109.753 108.800 0.416 0.000 2.323 396 G HA2 0.495 4.509 3.960 0.090 0.000 0.291 396 G HA3 0.495 4.509 3.960 0.090 0.000 0.291 396 G C -1.686 173.162 174.900 -0.087 0.000 1.278 396 G CA -0.224 45.031 45.100 0.260 0.000 0.860 396 G HN 0.844 nan 8.290 nan 0.000 0.504 397 M N -0.902 118.617 119.600 -0.136 0.000 2.721 397 M HA 0.747 5.281 4.480 0.090 0.000 0.271 397 M C -2.153 173.834 176.300 -0.522 0.000 1.259 397 M CA -0.992 54.052 55.300 -0.426 0.000 0.835 397 M CB 2.507 34.541 32.600 -0.944 0.000 1.689 397 M HN 0.592 nan 8.290 nan 0.000 0.470 398 D N -0.452 119.386 120.400 -0.937 0.000 2.342 398 D HA 0.539 5.233 4.640 0.090 0.000 0.243 398 D C -1.475 174.527 176.300 -0.496 0.000 1.019 398 D CA -0.344 53.072 54.000 -0.974 0.000 0.864 398 D CB 1.402 41.230 40.800 -1.619 0.000 1.315 398 D HN 0.608 nan 8.370 nan 0.000 0.468 399 D N -0.173 120.044 120.400 -0.305 0.000 2.388 399 D HA 0.258 4.952 4.640 0.090 0.000 0.254 399 D C 0.482 176.694 176.300 -0.146 0.000 1.111 399 D CA -0.322 53.578 54.000 -0.167 0.000 0.993 399 D CB 1.334 42.102 40.800 -0.053 0.000 1.118 399 D HN 0.516 nan 8.370 nan 0.000 0.502 400 S N 0.397 116.047 115.700 -0.084 0.000 2.614 400 S HA 0.109 4.634 4.470 0.090 0.000 0.265 400 S C 0.186 174.793 174.600 0.012 0.000 1.303 400 S CA -0.758 57.414 58.200 -0.046 0.000 1.000 400 S CB 0.792 63.979 63.200 -0.022 0.000 0.935 400 S HN 0.376 nan 8.310 nan 0.000 0.551 401 N N 1.871 120.588 118.700 0.028 0.000 2.558 401 N HA 0.220 5.014 4.740 0.090 0.000 0.233 401 N C -1.438 174.097 175.510 0.042 0.000 1.038 401 N CA -0.285 52.806 53.050 0.068 0.000 0.934 401 N CB -0.091 38.444 38.487 0.081 0.000 1.175 401 N HN 0.666 nan 8.380 nan 0.000 0.512 402 N N 4.596 123.328 118.700 0.053 0.000 2.558 402 N HA 0.356 5.150 4.740 0.090 0.000 0.242 402 N C -1.924 173.547 175.510 -0.066 0.000 0.979 402 N CA -1.964 51.094 53.050 0.014 0.000 0.931 402 N CB 1.457 39.985 38.487 0.068 0.000 1.122 402 N HN 0.355 nan 8.380 nan 0.000 0.508 403 P HA 0.033 nan 4.420 nan 0.000 0.237 403 P C 0.387 177.456 177.300 -0.386 0.000 1.178 403 P CA 0.599 63.480 63.100 -0.364 0.000 0.766 403 P CB 0.007 31.384 31.700 -0.539 0.000 0.876 404 F N 0.450 120.418 119.950 0.029 0.000 2.765 404 F HA 0.234 4.814 4.527 0.088 0.000 0.302 404 F C 1.536 177.336 175.800 -0.001 0.000 1.111 404 F CA -0.540 57.468 58.000 0.014 0.000 1.359 404 F CB -0.530 38.478 39.000 0.013 0.000 1.097 404 F HN -0.106 nan 8.300 nan 0.000 0.577 405 I N -2.618 118.014 120.570 0.104 0.000 2.750 405 I HA 0.621 4.846 4.170 0.090 0.000 0.308 405 I C 0.398 176.499 176.117 -0.027 0.000 1.016 405 I CA -1.222 60.100 61.300 0.037 0.000 1.098 405 I CB 1.673 39.684 38.000 0.018 0.000 1.279 405 I HN -0.107 nan 8.210 nan 0.000 0.454 406 S N 3.267 118.929 115.700 -0.063 0.000 2.593 406 S HA 0.322 4.847 4.470 0.090 0.000 0.269 406 S C 1.002 175.460 174.600 -0.237 0.000 1.334 406 S CA -0.601 57.526 58.200 -0.122 0.000 1.015 406 S CB 1.091 64.223 63.200 -0.113 0.000 0.912 406 S HN 0.700 nan 8.310 nan 0.000 0.541 407 I N 1.415 121.774 120.570 -0.351 0.000 2.151 407 I HA -0.251 3.973 4.170 0.090 0.000 0.243 407 I C 2.627 178.394 176.117 -0.583 0.000 1.080 407 I CA 1.661 62.552 61.300 -0.682 0.000 1.339 407 I CB -0.475 37.021 38.000 -0.840 0.000 1.039 407 I HN 0.756 nan 8.210 nan 0.000 0.409 408 K N 0.437 120.608 120.400 -0.381 0.000 2.074 408 K HA -0.239 4.135 4.320 0.090 0.000 0.209 408 K C 1.742 178.216 176.600 -0.211 0.000 1.048 408 K CA 1.939 58.067 56.287 -0.264 0.000 0.926 408 K CB -0.273 32.127 32.500 -0.168 0.000 0.713 408 K HN 0.306 nan 8.250 nan 0.000 0.444 409 D N 0.283 120.574 120.400 -0.182 0.000 2.144 409 D HA -0.078 4.617 4.640 0.090 0.000 0.200 409 D C 1.762 177.978 176.300 -0.140 0.000 0.978 409 D CA 1.100 55.024 54.000 -0.126 0.000 0.833 409 D CB -0.178 40.572 40.800 -0.084 0.000 0.961 409 D HN 0.202 nan 8.370 nan 0.000 0.470 410 A N 0.517 123.206 122.820 -0.218 0.000 2.024 410 A HA -0.112 4.262 4.320 0.090 0.000 0.220 410 A C 2.170 179.650 177.584 -0.174 0.000 1.164 410 A CA 0.799 52.716 52.037 -0.200 0.000 0.643 410 A CB -0.655 18.126 19.000 -0.364 0.000 0.806 410 A HN 0.261 nan 8.150 nan 0.000 0.451 411 L N -1.080 120.002 121.223 -0.236 0.000 2.478 411 L HA -0.017 4.377 4.340 0.090 0.000 0.223 411 L C 0.583 177.414 176.870 -0.065 0.000 1.140 411 L CA 0.532 55.291 54.840 -0.135 0.000 0.842 411 L CB -0.277 41.689 42.059 -0.154 0.000 0.953 411 L HN 0.230 nan 8.230 nan 0.000 0.452 412 K N 2.042 122.403 120.400 -0.066 0.000 2.502 412 K HA 0.029 4.403 4.320 0.090 0.000 0.244 412 K C -0.173 176.411 176.600 -0.028 0.000 1.249 412 K CA -0.177 56.085 56.287 -0.041 0.000 1.193 412 K CB -0.196 32.278 32.500 -0.044 0.000 1.674 412 K HN 0.124 nan 8.250 nan 0.000 0.302 413 D N 0.807 121.197 120.400 -0.016 0.000 3.134 413 D HA -0.055 4.639 4.640 0.090 0.000 0.248 413 D C 0.905 177.189 176.300 -0.026 0.000 1.273 413 D CA -0.324 53.670 54.000 -0.011 0.000 0.904 413 D CB 0.420 41.230 40.800 0.016 0.000 1.089 413 D HN 0.176 nan 8.370 nan 0.000 0.478 414 S N 0.201 115.880 115.700 -0.035 0.000 2.399 414 S HA -0.269 4.255 4.470 0.090 0.000 0.231 414 S C 1.738 176.304 174.600 -0.057 0.000 1.022 414 S CA 0.735 58.903 58.200 -0.053 0.000 0.983 414 S CB -0.227 62.951 63.200 -0.036 0.000 0.803 414 S HN 0.372 nan 8.310 nan 0.000 0.480 415 K N 1.569 121.948 120.400 -0.035 0.000 2.026 415 K HA -0.099 4.275 4.320 0.090 0.000 0.208 415 K C 2.610 179.208 176.600 -0.003 0.000 1.048 415 K CA 1.239 57.514 56.287 -0.019 0.000 0.929 415 K CB -0.242 32.241 32.500 -0.028 0.000 0.713 415 K HN 0.449 nan 8.250 nan 0.000 0.439 416 R N 0.815 121.306 120.500 -0.016 0.000 2.081 416 R HA -0.116 4.279 4.340 0.090 0.000 0.235 416 R C 2.247 178.571 176.300 0.041 0.000 1.131 416 R CA 1.556 57.675 56.100 0.032 0.000 0.960 416 R CB -0.311 30.040 30.300 0.085 0.000 0.856 416 R HN 0.230 nan 8.270 nan 0.000 0.436 417 I N 1.119 121.610 120.570 -0.130 0.000 2.163 417 I HA -0.333 3.891 4.170 0.090 0.000 0.243 417 I C 2.680 178.488 176.117 -0.516 0.000 1.085 417 I CA 1.666 62.652 61.300 -0.523 0.000 1.347 417 I CB -0.335 37.315 38.000 -0.583 0.000 1.044 417 I HN 0.285 nan 8.210 nan 0.000 0.408 418 K N 0.285 120.552 120.400 -0.222 0.000 2.057 418 K HA -0.269 4.105 4.320 0.090 0.000 0.207 418 K C 2.378 178.977 176.600 -0.001 0.000 1.049 418 K CA 1.661 57.885 56.287 -0.106 0.000 0.931 418 K CB -0.326 32.158 32.500 -0.027 0.000 0.714 418 K HN 0.204 nan 8.250 nan 0.000 0.440 419 Y N 1.081 121.339 120.300 -0.070 0.000 2.053 419 Y HA -0.317 4.290 4.550 0.095 0.000 0.277 419 Y C 2.057 177.977 175.900 0.034 0.000 1.159 419 Y CA 2.454 60.553 58.100 -0.002 0.000 1.125 419 Y CB -0.480 37.895 38.460 -0.143 0.000 0.969 419 Y HN 0.282 nan 8.280 nan 0.000 0.492 420 H N -1.223 117.983 119.070 0.227 0.000 2.353 420 H HA -0.137 4.483 4.556 0.107 0.000 0.300 420 H C 2.109 177.492 175.328 0.090 0.000 1.090 420 H CA 1.573 57.748 56.048 0.211 0.000 1.327 420 H CB -0.288 29.557 29.762 0.138 0.000 1.383 420 H HN 0.379 nan 8.280 nan 0.000 0.508 421 N N 0.252 118.924 118.700 -0.047 0.000 2.043 421 N HA -0.165 4.629 4.740 0.090 0.000 0.193 421 N C 1.274 176.877 175.510 0.154 0.000 1.037 421 N CA 1.916 55.050 53.050 0.140 0.000 0.851 421 N CB -0.045 38.465 38.487 0.037 0.000 1.027 421 N HN 0.233 nan 8.380 nan 0.000 0.422 422 D N -1.139 119.314 120.400 0.088 0.000 2.123 422 D HA -0.094 4.601 4.640 0.090 0.000 0.200 422 D C 1.643 177.957 176.300 0.023 0.000 0.976 422 D CA 0.913 54.933 54.000 0.034 0.000 0.831 422 D CB -0.459 40.334 40.800 -0.011 0.000 0.974 422 D HN 0.380 nan 8.370 nan 0.000 0.469 423 Y N 0.923 121.168 120.300 -0.092 0.000 2.200 423 Y HA -0.047 4.518 4.550 0.025 0.000 0.290 423 Y C 2.424 178.379 175.900 0.093 0.000 1.137 423 Y CA 0.657 58.743 58.100 -0.023 0.000 1.163 423 Y CB -0.475 37.946 38.460 -0.065 0.000 0.988 423 Y HN -0.064 nan 8.280 nan 0.000 0.518 424 L N -1.225 120.166 121.223 0.281 0.000 2.093 424 L HA -0.218 4.177 4.340 0.090 0.000 0.208 424 L C 2.276 179.279 176.870 0.221 0.000 1.085 424 L CA 1.539 56.530 54.840 0.251 0.000 0.755 424 L CB -0.788 41.431 42.059 0.267 0.000 0.904 424 L HN 0.184 nan 8.230 nan 0.000 0.435 425 T N -0.557 114.072 114.554 0.126 0.000 2.708 425 T HA -0.170 4.234 4.350 0.090 0.000 0.266 425 T C 1.619 176.296 174.700 -0.038 0.000 1.037 425 T CA 1.796 63.906 62.100 0.015 0.000 1.146 425 T CB -0.314 68.561 68.868 0.012 0.000 0.865 425 T HN 0.344 nan 8.240 nan 0.000 0.435 426 N N 0.830 119.512 118.700 -0.030 0.000 2.104 426 N HA -0.056 4.738 4.740 0.090 0.000 0.190 426 N C 1.619 177.109 175.510 -0.033 0.000 1.024 426 N CA 0.687 53.698 53.050 -0.065 0.000 0.853 426 N CB -0.358 38.054 38.487 -0.124 0.000 1.008 426 N HN 0.123 nan 8.380 nan 0.000 0.424 427 L N 0.751 122.007 121.223 0.055 0.000 2.046 427 L HA -0.054 4.340 4.340 0.090 0.000 0.208 427 L C 2.017 178.903 176.870 0.027 0.000 1.077 427 L CA 1.568 56.478 54.840 0.117 0.000 0.747 427 L CB -0.910 41.314 42.059 0.275 0.000 0.896 427 L HN 0.176 nan 8.230 nan 0.000 0.432 428 A N -0.725 122.026 122.820 -0.114 0.000 1.902 428 A HA -0.105 4.270 4.320 0.090 0.000 0.217 428 A C 2.439 179.846 177.584 -0.294 0.000 1.181 428 A CA 1.777 53.511 52.037 -0.505 0.000 0.623 428 A CB -1.115 17.317 19.000 -0.947 0.000 0.818 428 A HN 0.556 nan 8.150 nan 0.000 0.443 429 A N 0.369 123.076 122.820 -0.189 0.000 1.902 429 A HA -0.098 4.276 4.320 0.090 0.000 0.217 429 A C 2.522 180.046 177.584 -0.101 0.000 1.181 429 A CA 2.342 54.297 52.037 -0.136 0.000 0.623 429 A CB -1.034 17.901 19.000 -0.108 0.000 0.818 429 A HN 1.055 nan 8.150 nan 0.000 0.443 430 S N 0.051 115.703 115.700 -0.080 0.000 2.383 430 S HA -0.148 4.377 4.470 0.090 0.000 0.229 430 S C 1.850 176.426 174.600 -0.041 0.000 1.030 430 S CA 1.551 59.717 58.200 -0.056 0.000 1.002 430 S CB -0.714 62.461 63.200 -0.043 0.000 0.829 430 S HN 0.489 nan 8.310 nan 0.000 0.467 431 I N 1.336 121.878 120.570 -0.047 0.000 2.235 431 I HA -0.040 4.185 4.170 0.090 0.000 0.241 431 I C 2.855 178.938 176.117 -0.057 0.000 1.085 431 I CA 1.421 62.701 61.300 -0.033 0.000 1.378 431 I CB -0.271 37.711 38.000 -0.031 0.000 1.076 431 I HN 0.286 nan 8.210 nan 0.000 0.415 432 K N 0.958 121.296 120.400 -0.103 0.000 2.044 432 K HA -0.124 4.251 4.320 0.090 0.000 0.204 432 K C 1.926 178.484 176.600 -0.070 0.000 1.049 432 K CA 1.392 57.620 56.287 -0.097 0.000 0.945 432 K CB 0.138 32.553 32.500 -0.142 0.000 0.724 432 K HN 0.304 nan 8.250 nan 0.000 0.440 433 E N -0.143 120.014 120.200 -0.072 0.000 2.140 433 E HA -0.074 4.331 4.350 0.090 0.000 0.191 433 E C 0.940 177.515 176.600 -0.042 0.000 0.973 433 E CA 0.810 57.177 56.400 -0.056 0.000 0.829 433 E CB 0.291 29.955 29.700 -0.060 0.000 0.781 433 E HN 0.296 nan 8.360 nan 0.000 0.466 434 D N -0.834 119.540 120.400 -0.043 0.000 2.379 434 D HA 0.092 4.786 4.640 0.090 0.000 0.208 434 D C 1.009 177.297 176.300 -0.022 0.000 1.065 434 D CA 0.685 54.666 54.000 -0.033 0.000 0.848 434 D CB 0.991 41.767 40.800 -0.040 0.000 0.949 434 D HN 0.255 nan 8.370 nan 0.000 0.509 435 G N 0.768 109.556 108.800 -0.019 0.000 2.143 435 G HA2 -0.311 3.703 3.960 0.090 0.000 0.248 435 G HA3 -0.311 3.703 3.960 0.090 0.000 0.248 435 G C 0.456 175.359 174.900 0.005 0.000 0.991 435 G CA 0.096 45.193 45.100 -0.006 0.000 0.689 435 G HN 0.380 nan 8.290 nan 0.000 0.522 436 C N 0.669 119.973 119.300 0.006 0.000 2.637 436 C HA 0.402 4.917 4.460 0.090 0.000 0.418 436 C C 0.953 175.969 174.990 0.043 0.000 1.319 436 C CA -0.132 58.900 59.018 0.023 0.000 1.949 436 C CB 0.905 28.658 27.740 0.022 0.000 2.639 436 C HN 0.507 nan 8.230 nan 0.000 0.594 437 D N 2.595 123.024 120.400 0.048 0.000 2.563 437 D HA 0.268 4.962 4.640 0.090 0.000 0.222 437 D C -0.309 176.015 176.300 0.039 0.000 1.145 437 D CA 0.086 54.115 54.000 0.048 0.000 1.001 437 D CB 0.144 40.972 40.800 0.047 0.000 1.049 437 D HN 0.303 nan 8.370 nan 0.000 0.515 438 V N 4.280 124.241 119.914 0.078 0.000 2.427 438 V HA 0.372 4.547 4.120 0.090 0.000 0.286 438 V C 1.407 177.525 176.094 0.041 0.000 1.034 438 V CA -0.646 61.704 62.300 0.083 0.000 0.893 438 V CB 1.784 33.746 31.823 0.232 0.000 0.982 438 V HN 0.319 nan 8.190 nan 0.000 0.452 439 R N 2.617 122.865 120.500 -0.420 0.000 2.335 439 R HA 0.419 4.814 4.340 0.090 0.000 0.210 439 R C 0.594 176.157 176.300 -1.228 0.000 0.892 439 R CA 0.571 56.230 56.100 -0.735 0.000 1.048 439 R CB 1.352 30.998 30.300 -1.091 0.000 1.067 439 R HN 0.843 nan 8.270 nan 0.000 0.524 440 G N -0.032 107.965 108.800 -1.339 0.000 2.466 440 G HA2 0.360 4.375 3.960 0.090 0.000 0.291 440 G HA3 0.360 4.375 3.960 0.090 0.000 0.291 440 G C -2.322 172.214 174.900 -0.607 0.000 1.460 440 G CA -0.582 43.688 45.100 -1.384 0.000 0.791 440 G HN 0.041 nan 8.290 nan 0.000 0.505 441 Y N -0.107 119.736 120.300 -0.762 0.000 2.401 441 Y HA 0.718 5.318 4.550 0.083 0.000 0.330 441 Y C -1.919 173.752 175.900 -0.382 0.000 1.071 441 Y CA -1.340 56.603 58.100 -0.261 0.000 1.049 441 Y CB 1.654 40.063 38.460 -0.085 0.000 1.239 441 Y HN 0.456 nan 8.280 nan 0.000 0.437 442 F N 4.939 124.625 119.950 -0.439 0.000 2.477 442 F HA 0.729 5.309 4.527 0.088 0.000 0.335 442 F C 0.230 175.821 175.800 -0.347 0.000 1.130 442 F CA -0.824 56.998 58.000 -0.296 0.000 0.948 442 F CB 1.778 40.639 39.000 -0.231 0.000 1.154 442 F HN 0.678 nan 8.300 nan 0.000 0.439 443 A N 4.314 127.127 122.820 -0.012 0.000 2.409 443 A HA 0.152 4.526 4.320 0.090 0.000 0.267 443 A C -0.794 176.934 177.584 0.241 0.000 1.127 443 A CA -0.422 51.712 52.037 0.163 0.000 0.795 443 A CB 0.264 19.287 19.000 0.038 0.000 1.061 443 A HN 0.878 nan 8.150 nan 0.000 0.502 444 W N 3.693 125.108 121.300 0.192 0.000 2.332 444 W HA 0.493 5.203 4.660 0.083 0.000 0.306 444 W C -0.384 176.334 176.519 0.332 0.000 1.149 444 W CA 0.051 57.510 57.345 0.190 0.000 1.271 444 W CB 1.369 30.905 29.460 0.128 0.000 1.243 444 W HN 0.676 nan 8.180 nan 0.000 0.459 445 S N 3.871 119.511 115.700 -0.101 0.000 2.661 445 S HA 0.266 4.791 4.470 0.090 0.000 0.285 445 S C 0.431 174.963 174.600 -0.114 0.000 1.138 445 S CA -0.739 57.136 58.200 -0.541 0.000 0.855 445 S CB 1.479 63.908 63.200 -1.285 0.000 1.136 445 S HN 0.515 nan 8.310 nan 0.000 0.484 446 L N 2.444 123.663 121.223 -0.007 0.000 1.990 446 L HA 0.264 4.658 4.340 0.090 0.000 0.213 446 L C -0.132 176.863 176.870 0.209 0.000 1.072 446 L CA 2.040 56.982 54.840 0.170 0.000 0.755 446 L CB -0.328 41.883 42.059 0.254 0.000 0.889 446 L HN 0.600 nan 8.230 nan 0.000 0.432 447 L N -0.431 120.875 121.223 0.139 0.000 2.422 447 L HA 0.340 4.734 4.340 0.090 0.000 0.264 447 L C -0.785 176.034 176.870 -0.085 0.000 0.984 447 L CA -1.274 53.577 54.840 0.018 0.000 0.819 447 L CB 1.626 43.589 42.059 -0.160 0.000 1.330 447 L HN -0.132 nan 8.230 nan 0.000 0.410 448 D N 2.096 122.462 120.400 -0.058 0.000 2.478 448 D HA 0.142 4.836 4.640 0.090 0.000 0.234 448 D C -0.387 175.873 176.300 -0.067 0.000 1.154 448 D CA 0.850 54.834 54.000 -0.028 0.000 0.874 448 D CB 0.537 41.275 40.800 -0.103 0.000 1.198 448 D HN 0.686 nan 8.370 nan 0.000 0.455 449 N N -0.955 117.786 118.700 0.069 0.000 3.277 449 N HA 0.270 5.065 4.740 0.090 0.000 0.278 449 N C -1.792 173.794 175.510 0.126 0.000 1.544 449 N CA -1.028 52.032 53.050 0.016 0.000 0.869 449 N CB 0.282 38.557 38.487 -0.354 0.000 1.584 449 N HN 0.400 nan 8.380 nan 0.000 0.564 450 W N 1.044 122.195 121.300 -0.247 0.000 2.481 450 W HA 0.355 5.072 4.660 0.094 0.000 0.320 450 W C 0.088 176.299 176.519 -0.513 0.000 1.209 450 W CA -0.170 56.822 57.345 -0.589 0.000 1.400 450 W CB 0.699 29.747 29.460 -0.687 0.000 1.361 450 W HN 0.689 nan 8.180 nan 0.000 0.456 451 E N 6.872 126.685 120.200 -0.645 0.000 2.392 451 E HA 0.143 4.547 4.350 0.090 0.000 0.307 451 E C 0.069 176.305 176.600 -0.606 0.000 1.505 451 E CA -0.124 56.011 56.400 -0.442 0.000 1.716 451 E CB -0.740 28.960 29.700 -0.000 0.000 1.450 451 E HN 0.511 nan 8.360 nan 0.000 0.484 452 W N 0.719 121.446 121.300 -0.955 0.000 2.152 452 W HA -0.472 4.240 4.660 0.087 0.000 0.285 452 W C 1.803 177.812 176.519 -0.850 0.000 1.275 452 W CA 0.920 57.688 57.345 -0.961 0.000 1.220 452 W CB -1.694 27.591 29.460 -0.291 0.000 0.889 452 W HN 0.304 nan 8.180 nan 0.000 0.529 453 A N 0.389 123.294 122.820 0.141 0.000 2.121 453 A HA 0.235 4.609 4.320 0.090 0.000 0.218 453 A C 1.791 179.308 177.584 -0.111 0.000 1.154 453 A CA 2.520 54.611 52.037 0.090 0.000 0.679 453 A CB -1.156 17.972 19.000 0.214 0.000 0.795 453 A HN 1.074 nan 8.150 nan 0.000 0.458 454 A N -1.196 121.539 122.820 -0.141 0.000 2.206 454 A HA 0.418 4.792 4.320 0.090 0.000 0.211 454 A C 1.869 179.270 177.584 -0.304 0.000 1.158 454 A CA 1.358 53.306 52.037 -0.148 0.000 0.761 454 A CB -1.125 17.868 19.000 -0.012 0.000 0.801 454 A HN 1.829 nan 8.150 nan 0.000 0.473 455 G N -0.613 107.798 108.800 -0.648 0.000 2.634 455 G HA2 -0.379 3.635 3.960 0.090 0.000 0.309 455 G HA3 -0.379 3.635 3.960 0.090 0.000 0.309 455 G C 0.468 174.948 174.900 -0.700 0.000 1.265 455 G CA 0.900 45.471 45.100 -0.881 0.000 0.998 455 G HN 0.618 nan 8.290 nan 0.000 0.551 456 Y N 1.888 122.105 120.300 -0.138 0.000 2.470 456 Y HA 0.317 4.920 4.550 0.090 0.000 0.284 456 Y C 2.766 178.609 175.900 -0.094 0.000 1.188 456 Y CA 0.888 58.885 58.100 -0.172 0.000 1.269 456 Y CB 0.283 38.490 38.460 -0.421 0.000 1.094 456 Y HN 0.535 nan 8.280 nan 0.000 0.518 457 S N -1.644 114.053 115.700 -0.006 0.000 2.522 457 S HA -0.011 4.513 4.470 0.090 0.000 0.227 457 S C 0.851 175.446 174.600 -0.008 0.000 0.986 457 S CA 0.154 58.355 58.200 0.002 0.000 0.929 457 S CB 0.026 63.210 63.200 -0.026 0.000 0.769 457 S HN 0.167 nan 8.310 nan 0.000 0.529 458 S N 0.928 116.626 115.700 -0.003 0.000 2.519 458 S HA 0.571 5.096 4.470 0.090 0.000 0.309 458 S C -0.887 173.731 174.600 0.030 0.000 1.100 458 S CA -0.892 57.289 58.200 -0.031 0.000 1.059 458 S CB 0.917 64.133 63.200 0.027 0.000 1.008 458 S HN 0.433 nan 8.310 nan 0.000 0.478 459 R N 3.954 124.417 120.500 -0.061 0.000 2.312 459 R HA 0.335 4.729 4.340 0.090 0.000 0.310 459 R C -0.636 175.639 176.300 -0.041 0.000 1.064 459 R CA -0.201 55.907 56.100 0.012 0.000 0.983 459 R CB 0.468 30.780 30.300 0.020 0.000 1.139 459 R HN 0.696 nan 8.270 nan 0.000 0.536 460 F N 0.313 120.307 119.950 0.073 0.000 2.765 460 F HA 0.187 4.765 4.527 0.086 0.000 0.302 460 F C 1.707 177.538 175.800 0.051 0.000 1.111 460 F CA -0.189 57.871 58.000 0.101 0.000 1.359 460 F CB 0.771 39.926 39.000 0.258 0.000 1.097 460 F HN 0.509 nan 8.300 nan 0.000 0.577 461 G N 0.117 109.021 108.800 0.174 0.000 2.503 461 G HA2 0.275 4.289 3.960 0.090 0.000 0.257 461 G HA3 0.275 4.289 3.960 0.090 0.000 0.257 461 G C 0.912 175.895 174.900 0.139 0.000 1.214 461 G CA -0.508 44.667 45.100 0.125 0.000 0.839 461 G HN 0.200 nan 8.290 nan 0.000 0.559 462 L N 0.016 121.310 121.223 0.119 0.000 2.156 462 L HA 0.049 4.443 4.340 0.090 0.000 0.208 462 L C 0.264 177.075 176.870 -0.098 0.000 1.095 462 L CA 0.716 55.575 54.840 0.032 0.000 0.770 462 L CB -0.325 41.713 42.059 -0.036 0.000 0.914 462 L HN 0.389 nan 8.230 nan 0.000 0.439 463 Y N -1.201 119.147 120.300 0.081 0.000 2.330 463 Y HA 0.281 4.887 4.550 0.093 0.000 0.336 463 Y C 0.032 175.998 175.900 0.111 0.000 1.036 463 Y CA -1.158 57.002 58.100 0.100 0.000 1.125 463 Y CB 1.093 39.581 38.460 0.048 0.000 1.194 463 Y HN -0.186 nan 8.280 nan 0.000 0.469 464 F N 3.498 123.535 119.950 0.145 0.000 2.443 464 F HA 0.498 5.077 4.527 0.087 0.000 0.353 464 F C -0.633 175.190 175.800 0.038 0.000 1.101 464 F CA -0.528 57.513 58.000 0.068 0.000 1.226 464 F CB 0.493 39.523 39.000 0.050 0.000 1.140 464 F HN 0.153 nan 8.300 nan 0.000 0.557 465 V N 5.678 125.155 119.914 -0.728 0.000 2.384 465 V HA 0.150 4.324 4.120 0.090 0.000 0.287 465 V C -0.621 174.837 176.094 -1.061 0.000 1.020 465 V CA -0.858 61.014 62.300 -0.713 0.000 0.850 465 V CB 1.343 32.700 31.823 -0.776 0.000 0.987 465 V HN 0.623 nan 8.190 nan 0.000 0.436 466 D N 3.729 123.920 120.400 -0.348 0.000 2.422 466 D HA 0.158 4.852 4.640 0.090 0.000 0.227 466 D C 0.566 176.725 176.300 -0.235 0.000 1.190 466 D CA -0.080 53.858 54.000 -0.104 0.000 0.905 466 D CB 0.566 41.551 40.800 0.307 0.000 1.034 466 D HN 0.500 nan 8.370 nan 0.000 0.507 467 Y N 2.021 122.236 120.300 -0.142 0.000 2.497 467 Y HA -0.050 4.553 4.550 0.089 0.000 0.292 467 Y C 1.971 177.807 175.900 -0.106 0.000 1.137 467 Y CA 0.799 58.789 58.100 -0.183 0.000 1.285 467 Y CB 0.014 38.294 38.460 -0.300 0.000 0.991 467 Y HN 0.274 nan 8.280 nan 0.000 0.556 468 K N -0.451 119.994 120.400 0.075 0.000 2.417 468 K HA 0.008 4.383 4.320 0.090 0.000 0.196 468 K C -0.105 176.520 176.600 0.042 0.000 1.023 468 K CA 0.423 56.742 56.287 0.053 0.000 1.122 468 K CB 0.319 32.851 32.500 0.055 0.000 0.850 468 K HN 0.011 nan 8.250 nan 0.000 0.521 469 D N 0.619 121.043 120.400 0.041 0.000 2.849 469 D HA 0.045 4.740 4.640 0.090 0.000 0.314 469 D C -0.825 175.479 176.300 0.006 0.000 1.210 469 D CA -0.359 53.664 54.000 0.038 0.000 0.756 469 D CB -0.467 40.382 40.800 0.083 0.000 1.222 469 D HN -0.042 nan 8.370 nan 0.000 0.521 470 N N 2.432 121.126 118.700 -0.010 0.000 2.716 470 N HA -0.245 4.549 4.740 0.090 0.000 0.250 470 N C -0.041 175.438 175.510 -0.051 0.000 1.033 470 N CA 1.042 54.074 53.050 -0.029 0.000 0.727 470 N CB -1.326 37.141 38.487 -0.033 0.000 0.950 470 N HN 0.615 nan 8.380 nan 0.000 0.541 471 L N -3.518 117.664 121.223 -0.068 0.000 3.843 471 L HA -0.344 4.051 4.340 0.090 0.000 0.411 471 L C 0.663 177.452 176.870 -0.135 0.000 1.205 471 L CA 1.201 55.963 54.840 -0.129 0.000 0.945 471 L CB -1.641 40.365 42.059 -0.088 0.000 1.929 471 L HN 0.489 nan 8.230 nan 0.000 0.934 472 K N 1.274 121.618 120.400 -0.094 0.000 2.451 472 K HA 0.273 4.648 4.320 0.090 0.000 0.280 472 K C 0.442 176.973 176.600 -0.115 0.000 1.020 472 K CA -0.210 56.000 56.287 -0.128 0.000 1.008 472 K CB 0.520 32.943 32.500 -0.128 0.000 0.917 472 K HN 0.067 nan 8.250 nan 0.000 0.478 473 R N 2.986 123.381 120.500 -0.174 0.000 2.297 473 R HA 0.254 4.648 4.340 0.090 0.000 0.308 473 R C -1.236 175.026 176.300 -0.063 0.000 1.029 473 R CA -0.099 55.967 56.100 -0.057 0.000 0.929 473 R CB 0.628 30.845 30.300 -0.138 0.000 1.046 473 R HN 0.445 nan 8.270 nan 0.000 0.461 474 Y N 3.281 123.728 120.300 0.247 0.000 2.425 474 Y HA 0.390 4.994 4.550 0.090 0.000 0.344 474 Y C -1.976 174.080 175.900 0.260 0.000 0.969 474 Y CA -2.805 55.425 58.100 0.217 0.000 1.052 474 Y CB 2.036 40.571 38.460 0.125 0.000 1.215 474 Y HN 0.520 nan 8.280 nan 0.000 0.451 475 P HA 0.151 nan 4.420 nan 0.000 0.282 475 P C -0.837 176.448 177.300 -0.025 0.000 1.262 475 P CA -0.407 62.661 63.100 -0.053 0.000 0.773 475 P CB 1.106 32.764 31.700 -0.070 0.000 0.879 476 K N 2.493 122.845 120.400 -0.080 0.000 2.149 476 K HA 0.131 4.505 4.320 0.090 0.000 0.245 476 K C 1.497 178.080 176.600 -0.028 0.000 1.024 476 K CA -0.508 55.766 56.287 -0.022 0.000 0.899 476 K CB 0.226 32.739 32.500 0.022 0.000 1.038 476 K HN 0.268 nan 8.250 nan 0.000 0.496 477 N N 0.583 119.285 118.700 0.003 0.000 2.272 477 N HA -0.157 4.637 4.740 0.090 0.000 0.185 477 N C 1.571 177.133 175.510 0.088 0.000 1.014 477 N CA 1.494 54.563 53.050 0.032 0.000 0.870 477 N CB -0.402 38.099 38.487 0.023 0.000 0.975 477 N HN 0.564 nan 8.380 nan 0.000 0.433 478 S N -0.371 115.389 115.700 0.099 0.000 2.419 478 S HA -0.083 4.441 4.470 0.090 0.000 0.235 478 S C 2.088 176.884 174.600 0.326 0.000 1.019 478 S CA 0.824 59.160 58.200 0.227 0.000 0.982 478 S CB -0.705 62.645 63.200 0.249 0.000 0.789 478 S HN 0.047 nan 8.310 nan 0.000 0.490 479 V N 1.923 121.897 119.914 0.101 0.000 2.295 479 V HA -0.173 4.001 4.120 0.090 0.000 0.246 479 V C 3.043 179.207 176.094 0.118 0.000 1.049 479 V CA 1.945 64.257 62.300 0.021 0.000 1.024 479 V CB -0.777 30.883 31.823 -0.272 0.000 0.648 479 V HN 0.475 nan 8.190 nan 0.000 0.447 480 Q N -1.649 118.210 119.800 0.099 0.000 2.170 480 Q HA -0.243 4.151 4.340 0.090 0.000 0.203 480 Q C 1.915 177.983 176.000 0.113 0.000 0.976 480 Q CA 1.891 57.747 55.803 0.089 0.000 0.858 480 Q CB -0.366 28.413 28.738 0.069 0.000 0.907 480 Q HN 0.851 nan 8.270 nan 0.000 0.433 481 W N 0.265 121.557 121.300 -0.013 0.000 2.379 481 W HA -0.158 4.572 4.660 0.117 0.000 0.307 481 W C 1.727 178.156 176.519 -0.150 0.000 1.200 481 W CA 1.167 58.459 57.345 -0.088 0.000 1.297 481 W CB -0.542 28.847 29.460 -0.119 0.000 1.140 481 W HN 0.035 nan 8.180 nan 0.000 0.507 482 F N 0.995 121.013 119.950 0.113 0.000 2.171 482 F HA -0.197 4.385 4.527 0.091 0.000 0.300 482 F C 2.613 178.273 175.800 -0.234 0.000 1.090 482 F CA 2.235 60.158 58.000 -0.129 0.000 1.293 482 F CB -0.774 38.234 39.000 0.013 0.000 1.013 482 F HN -0.190 nan 8.300 nan 0.000 0.486 483 K N 0.507 120.933 120.400 0.043 0.000 2.032 483 K HA -0.210 4.164 4.320 0.090 0.000 0.209 483 K C 2.253 178.778 176.600 -0.124 0.000 1.048 483 K CA 1.330 57.601 56.287 -0.026 0.000 0.927 483 K CB -0.332 32.172 32.500 0.007 0.000 0.712 483 K HN 0.215 nan 8.250 nan 0.000 0.441 484 A N 1.357 124.063 122.820 -0.189 0.000 1.877 484 A HA -0.161 4.213 4.320 0.090 0.000 0.216 484 A C 2.072 179.454 177.584 -0.337 0.000 1.186 484 A CA 1.467 53.359 52.037 -0.241 0.000 0.620 484 A CB -0.693 18.152 19.000 -0.258 0.000 0.822 484 A HN 0.416 nan 8.150 nan 0.000 0.443 485 L N -0.299 120.596 121.223 -0.546 0.000 2.042 485 L HA -0.102 4.292 4.340 0.090 0.000 0.210 485 L C 1.977 178.592 176.870 -0.425 0.000 1.076 485 L CA 1.878 56.347 54.840 -0.620 0.000 0.749 485 L CB -0.344 41.120 42.059 -0.993 0.000 0.893 485 L HN 0.389 nan 8.230 nan 0.000 0.432 486 L N -0.833 120.183 121.223 -0.345 0.000 2.591 486 L HA 0.044 4.438 4.340 0.090 0.000 0.228 486 L C 0.962 177.748 176.870 -0.140 0.000 1.133 486 L CA -0.180 54.505 54.840 -0.258 0.000 0.880 486 L CB -0.433 41.505 42.059 -0.201 0.000 1.033 486 L HN 0.127 nan 8.230 nan 0.000 0.450 487 K N 1.046 121.365 120.400 -0.134 0.000 2.484 487 K HA 0.050 4.424 4.320 0.090 0.000 0.280 487 K C -0.095 176.469 176.600 -0.060 0.000 1.013 487 K CA 0.355 56.592 56.287 -0.084 0.000 1.029 487 K CB 0.554 33.001 32.500 -0.087 0.000 0.902 487 K HN -0.018 nan 8.250 nan 0.000 0.481 488 T N 0.000 114.534 114.554 -0.034 0.000 3.816 488 T HA 0.000 4.404 4.350 0.090 0.000 0.228 488 T CA 0.000 62.091 62.100 -0.015 0.000 1.349 488 T CB 0.000 68.869 68.868 0.002 0.000 0.612 488 T HN 0.000 nan 8.240 nan 0.000 0.658