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 1gph_1_1 DATA FIRST_RESID 1 DATA SEQUENCE CGVFGIWGHE EAPQITYYGL HSLQHRGQEG AGIVATDGEK LTAHKGQGLI DATA SEQUENCE TEVFQNGELS KVKGKGAIGH VRYATAGGGG YENVQPLLFR SQNNGSLALA DATA SEQUENCE HNGNLVNATQ LKQQLENQGS IFQTSSDTEV LAHLIKRSGH FTLKDQIKNS DATA SEQUENCE LSMLKGAYAF LIMTETEMIV ALDPNGLRPL SIGMMGDAYV VASETCAFDV DATA SEQUENCE VGATYLREVE PGEMLIINDE GMKSERFSMN INRSICSMEY IYFSRPDSNI DATA SEQUENCE DGINVHSARK NLGKMLAQES AVEADVVTGV PDSSISAAIG YAEATGIPYE DATA SEQUENCE LGLIKNRYVG RTFIQPSQAL REQGVRMKLS AVRGVVEGKR VVMVDDSIVR DATA SEQUENCE GTTSRRIVTM LREAGATEVH VKISSPPIAH PCFYGIDTST HEELIASSHS DATA SEQUENCE VDEIRQEIGA DTLSFLSVEG LLKGIGRKYD DSNCGQCLAC FTGKYPTEIY DATA SEQUENCE QDTVLPHVKE AVLTK 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 1 C HA 0.000 nan 4.460 nan 0.000 0.325 1 C C 0.000 174.939 174.990 -0.085 0.000 1.270 1 C CA 0.000 58.995 59.018 -0.039 0.000 1.963 1 C CB 0.000 27.698 27.740 -0.069 0.000 2.134 2 G N -0.038 108.617 108.800 -0.242 0.000 2.719 2 G HA2 0.796 4.756 3.960 -0.000 0.000 0.298 2 G HA3 0.796 4.756 3.960 -0.000 0.000 0.298 2 G C -1.215 173.654 174.900 -0.051 0.000 1.411 2 G CA -0.137 44.892 45.100 -0.118 0.000 0.991 2 G HN 1.691 nan 8.290 nan 0.000 0.509 3 V N -0.603 119.362 119.914 0.085 0.000 2.815 3 V HA 0.930 5.050 4.120 -0.000 0.000 0.314 3 V C -1.038 175.198 176.094 0.237 0.000 1.064 3 V CA -1.325 61.093 62.300 0.197 0.000 0.952 3 V CB 1.785 33.748 31.823 0.233 0.000 1.020 3 V HN 0.780 nan 8.190 nan 0.000 0.439 4 F N 1.242 121.254 119.950 0.103 0.000 2.591 4 F HA 0.915 5.441 4.527 -0.000 0.000 0.309 4 F C 0.065 175.949 175.800 0.140 0.000 1.098 4 F CA 0.217 58.279 58.000 0.103 0.000 0.937 4 F CB 2.224 41.264 39.000 0.066 0.000 1.250 4 F HN 1.071 nan 8.300 nan 0.000 0.447 5 G N 4.724 113.375 108.800 -0.249 0.000 2.733 5 G HA2 0.636 4.596 3.960 -0.000 0.000 0.297 5 G HA3 0.636 4.596 3.960 -0.000 0.000 0.297 5 G C -2.433 172.399 174.900 -0.113 0.000 1.422 5 G CA -0.736 44.361 45.100 -0.004 0.000 0.942 5 G HN 0.944 nan 8.290 nan 0.000 0.510 6 I N 0.482 121.116 120.570 0.107 0.000 2.680 6 I HA 0.606 4.776 4.170 -0.000 0.000 0.291 6 I C -1.885 174.372 176.117 0.233 0.000 1.244 6 I CA -1.021 60.366 61.300 0.146 0.000 1.042 6 I CB 1.893 39.986 38.000 0.155 0.000 1.277 6 I HN 0.650 nan 8.210 nan 0.000 0.423 7 W N 7.607 128.978 121.300 0.117 0.000 2.587 7 W HA 0.558 5.218 4.660 -0.000 0.000 0.324 7 W C 0.388 176.982 176.519 0.124 0.000 1.040 7 W CA 0.048 57.468 57.345 0.126 0.000 1.222 7 W CB 1.959 31.501 29.460 0.137 0.000 1.381 7 W HN 0.921 nan 8.180 nan 0.000 0.483 8 G N 4.060 112.633 108.800 -0.378 0.000 2.303 8 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.260 8 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.260 8 G C -0.812 174.073 174.900 -0.026 0.000 1.106 8 G CA 0.103 45.111 45.100 -0.153 0.000 0.900 8 G HN 0.822 nan 8.290 nan 0.000 0.495 9 H N -0.630 118.369 119.070 -0.118 0.000 3.017 9 H HA 0.425 4.981 4.556 -0.000 0.000 0.340 9 H C 0.695 175.984 175.328 -0.066 0.000 1.014 9 H CA -0.623 55.393 56.048 -0.053 0.000 1.341 9 H CB 1.786 31.548 29.762 0.000 0.000 1.739 9 H HN 0.042 nan 8.280 nan 0.000 0.506 10 E N 2.727 122.911 120.200 -0.027 0.000 2.333 10 E HA -0.112 4.238 4.350 -0.000 0.000 0.198 10 E C 0.668 177.346 176.600 0.130 0.000 1.007 10 E CA 0.821 57.232 56.400 0.019 0.000 0.845 10 E CB 0.291 29.957 29.700 -0.057 0.000 0.766 10 E HN 0.632 nan 8.360 nan 0.000 0.507 11 E N -1.275 119.152 120.200 0.379 0.000 2.496 11 E HA 0.273 4.623 4.350 -0.000 0.000 0.202 11 E C 1.173 177.838 176.600 0.107 0.000 1.021 11 E CA 0.234 56.772 56.400 0.231 0.000 1.015 11 E CB 0.258 30.128 29.700 0.284 0.000 1.102 11 E HN 0.204 nan 8.360 nan 0.000 0.452 12 A N 1.391 124.277 122.820 0.110 0.000 1.892 12 A HA -0.132 4.188 4.320 -0.000 0.000 0.218 12 A C -0.444 177.150 177.584 0.017 0.000 1.188 12 A CA 1.251 53.307 52.037 0.033 0.000 0.631 12 A CB -1.263 17.756 19.000 0.032 0.000 0.822 12 A HN 0.240 nan 8.150 nan 0.000 0.447 13 P HA -0.158 nan 4.420 nan 0.000 0.216 13 P C 1.256 178.487 177.300 -0.115 0.000 1.150 13 P CA 1.546 64.616 63.100 -0.050 0.000 0.837 13 P CB -0.047 31.619 31.700 -0.057 0.000 0.786 14 Q N -1.143 118.598 119.800 -0.099 0.000 2.083 14 Q HA -0.070 4.270 4.340 -0.000 0.000 0.198 14 Q C 2.098 178.044 176.000 -0.090 0.000 0.969 14 Q CA 1.148 56.867 55.803 -0.139 0.000 0.838 14 Q CB -0.897 27.833 28.738 -0.014 0.000 0.900 14 Q HN 0.190 nan 8.270 nan 0.000 0.436 15 I N 0.333 120.900 120.570 -0.004 0.000 2.226 15 I HA -0.223 3.947 4.170 -0.000 0.000 0.245 15 I C 1.793 177.852 176.117 -0.097 0.000 1.100 15 I CA 1.516 62.836 61.300 0.033 0.000 1.374 15 I CB -1.410 36.569 38.000 -0.035 0.000 1.057 15 I HN 0.228 nan 8.210 nan 0.000 0.413 16 T N 0.385 114.905 114.554 -0.057 0.000 2.821 16 T HA -0.222 4.128 4.350 -0.000 0.000 0.267 16 T C 1.855 176.350 174.700 -0.342 0.000 1.046 16 T CA 1.314 63.337 62.100 -0.129 0.000 1.139 16 T CB -0.525 68.408 68.868 0.107 0.000 0.871 16 T HN 0.362 nan 8.240 nan 0.000 0.454 17 Y N 0.932 120.950 120.300 -0.470 0.000 2.128 17 Y HA -0.239 4.311 4.550 0.000 0.000 0.284 17 Y C 1.993 177.579 175.900 -0.525 0.000 1.154 17 Y CA 1.214 58.963 58.100 -0.584 0.000 1.149 17 Y CB -0.492 37.501 38.460 -0.778 0.000 0.976 17 Y HN 0.205 nan 8.280 nan 0.000 0.505 18 Y N -0.013 120.111 120.300 -0.292 0.000 2.220 18 Y HA 0.008 4.558 4.550 0.000 0.000 0.291 18 Y C 2.743 178.421 175.900 -0.369 0.000 1.129 18 Y CA 1.050 58.971 58.100 -0.299 0.000 1.161 18 Y CB -1.191 37.190 38.460 -0.133 0.000 0.997 18 Y HN 0.192 nan 8.280 nan 0.000 0.522 19 G N 0.025 108.492 108.800 -0.555 0.000 2.446 19 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.217 19 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.217 19 G C 1.697 176.226 174.900 -0.620 0.000 1.168 19 G CA 1.080 45.586 45.100 -0.990 0.000 0.771 19 G HN 0.367 nan 8.290 nan 0.000 0.551 20 L N -0.578 120.329 121.223 -0.528 0.000 2.141 20 L HA -0.053 4.287 4.340 -0.000 0.000 0.209 20 L C 2.593 179.328 176.870 -0.225 0.000 1.094 20 L CA 0.943 55.625 54.840 -0.262 0.000 0.763 20 L CB -0.467 41.485 42.059 -0.179 0.000 0.908 20 L HN 0.338 nan 8.230 nan 0.000 0.437 21 H N 0.051 118.900 119.070 -0.369 0.000 2.421 21 H HA -0.128 4.428 4.556 -0.000 0.000 0.298 21 H C 2.221 177.449 175.328 -0.167 0.000 1.087 21 H CA 1.664 57.527 56.048 -0.308 0.000 1.330 21 H CB 0.419 29.925 29.762 -0.426 0.000 1.388 21 H HN 0.395 nan 8.280 nan 0.000 0.526 22 S N -0.033 115.565 115.700 -0.170 0.000 2.561 22 S HA 0.040 4.510 4.470 -0.000 0.000 0.225 22 S C 1.612 176.183 174.600 -0.048 0.000 0.977 22 S CA 0.127 58.255 58.200 -0.120 0.000 0.926 22 S CB -0.111 63.053 63.200 -0.060 0.000 0.769 22 S HN 0.344 nan 8.310 nan 0.000 0.533 23 L N 0.605 121.753 121.223 -0.124 0.000 2.857 23 L HA 0.371 4.711 4.340 -0.000 0.000 0.249 23 L C 2.094 178.748 176.870 -0.361 0.000 1.172 23 L CA -0.111 54.590 54.840 -0.231 0.000 0.980 23 L CB -0.007 41.935 42.059 -0.195 0.000 1.299 23 L HN 0.226 nan 8.230 nan 0.000 0.535 24 Q N 0.913 120.574 119.800 -0.231 0.000 2.234 24 Q HA -0.229 4.111 4.340 -0.000 0.000 0.206 24 Q C 2.241 178.124 176.000 -0.195 0.000 0.980 24 Q CA 1.794 57.470 55.803 -0.212 0.000 0.869 24 Q CB -0.058 28.532 28.738 -0.247 0.000 0.912 24 Q HN 0.658 nan 8.270 nan 0.000 0.436 25 H N -0.993 117.942 119.070 -0.225 0.000 2.518 25 H HA -0.012 4.544 4.556 -0.000 0.000 0.289 25 H C 1.116 176.295 175.328 -0.248 0.000 1.051 25 H CA 1.229 57.137 56.048 -0.233 0.000 1.280 25 H CB -0.136 29.450 29.762 -0.293 0.000 1.380 25 H HN 0.332 nan 8.280 nan 0.000 0.566 26 R N 0.732 120.809 120.500 -0.705 0.000 2.275 26 R HA 0.195 4.535 4.340 -0.000 0.000 0.199 26 R C 0.380 176.745 176.300 0.109 0.000 0.989 26 R CA 0.631 56.495 56.100 -0.394 0.000 1.016 26 R CB 0.639 30.693 30.300 -0.410 0.000 0.918 26 R HN 0.384 nan 8.270 nan 0.000 0.473 27 G N 0.099 108.894 108.800 -0.008 0.000 2.682 27 G HA2 0.158 4.118 3.960 -0.000 0.000 0.300 27 G HA3 0.158 4.118 3.960 -0.000 0.000 0.300 27 G C -0.754 174.129 174.900 -0.029 0.000 1.396 27 G CA -0.558 44.573 45.100 0.051 0.000 1.104 27 G HN -0.075 nan 8.290 nan 0.000 0.587 28 Q N 0.247 120.016 119.800 -0.053 0.000 2.247 28 Q HA 0.212 4.552 4.340 -0.000 0.000 0.211 28 Q C 1.348 177.330 176.000 -0.031 0.000 0.861 28 Q CA 0.306 56.081 55.803 -0.047 0.000 0.949 28 Q CB 0.905 29.607 28.738 -0.061 0.000 1.115 28 Q HN 0.561 nan 8.270 nan 0.000 0.507 29 E N -0.380 119.804 120.200 -0.027 0.000 2.444 29 E HA 0.347 4.697 4.350 -0.000 0.000 0.191 29 E C -0.240 176.370 176.600 0.017 0.000 1.041 29 E CA 0.101 56.498 56.400 -0.006 0.000 0.883 29 E CB 1.055 30.750 29.700 -0.008 0.000 1.024 29 E HN 0.246 nan 8.360 nan 0.000 0.470 30 G N -0.820 107.993 108.800 0.022 0.000 2.377 30 G HA2 0.588 4.548 3.960 -0.000 0.000 0.297 30 G HA3 0.588 4.548 3.960 -0.000 0.000 0.297 30 G C -1.618 173.309 174.900 0.045 0.000 1.547 30 G CA -0.227 44.884 45.100 0.019 0.000 0.833 30 G HN 0.158 nan 8.290 nan 0.000 0.583 31 A N -0.824 122.027 122.820 0.052 0.000 2.572 31 A HA 1.080 5.400 4.320 -0.000 0.000 0.295 31 A C -0.094 177.586 177.584 0.160 0.000 1.072 31 A CA 0.020 52.146 52.037 0.147 0.000 0.691 31 A CB 1.951 21.102 19.000 0.251 0.000 1.291 31 A HN 2.423 nan 8.150 nan 0.000 0.404 32 G N -0.168 108.791 108.800 0.266 0.000 2.720 32 G HA2 0.619 4.579 3.960 -0.000 0.000 0.295 32 G HA3 0.619 4.579 3.960 -0.000 0.000 0.295 32 G C -1.586 173.516 174.900 0.335 0.000 1.437 32 G CA -0.414 44.841 45.100 0.258 0.000 0.886 32 G HN 0.737 nan 8.290 nan 0.000 0.509 33 I N 0.515 121.301 120.570 0.360 0.000 2.647 33 I HA 0.545 4.715 4.170 -0.000 0.000 0.295 33 I C -0.690 175.539 176.117 0.188 0.000 1.078 33 I CA -1.170 60.264 61.300 0.223 0.000 1.048 33 I CB 2.625 40.689 38.000 0.108 0.000 1.239 33 I HN 0.221 nan 8.210 nan 0.000 0.421 34 V N 4.008 124.009 119.914 0.146 0.000 2.735 34 V HA 0.878 4.998 4.120 -0.000 0.000 0.310 34 V C -0.310 175.850 176.094 0.111 0.000 1.061 34 V CA -0.451 61.922 62.300 0.122 0.000 0.913 34 V CB 1.807 33.696 31.823 0.110 0.000 1.005 34 V HN 0.857 nan 8.190 nan 0.000 0.428 35 A N 2.338 125.211 122.820 0.087 0.000 2.515 35 A HA 0.926 5.246 4.320 -0.000 0.000 0.296 35 A C -0.609 177.002 177.584 0.044 0.000 1.094 35 A CA -0.626 51.445 52.037 0.057 0.000 0.718 35 A CB 2.339 21.359 19.000 0.033 0.000 1.307 35 A HN 0.746 nan 8.150 nan 0.000 0.408 36 T N -0.246 114.310 114.554 0.003 0.000 2.893 36 T HA 0.485 4.835 4.350 -0.000 0.000 0.293 36 T C -0.350 174.312 174.700 -0.064 0.000 1.027 36 T CA 0.069 62.173 62.100 0.007 0.000 0.988 36 T CB 1.218 70.135 68.868 0.082 0.000 1.043 36 T HN 0.730 nan 8.240 nan 0.000 0.461 37 D N 2.100 122.485 120.400 -0.025 0.000 2.379 37 D HA 0.247 4.887 4.640 -0.000 0.000 0.208 37 D C 1.363 177.655 176.300 -0.012 0.000 1.065 37 D CA 0.817 54.794 54.000 -0.038 0.000 0.848 37 D CB 0.233 41.025 40.800 -0.014 0.000 0.949 37 D HN 0.963 nan 8.370 nan 0.000 0.509 38 G N 0.676 109.494 108.800 0.032 0.000 2.428 38 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.199 38 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.199 38 G C 1.099 176.040 174.900 0.068 0.000 1.005 38 G CA 0.213 45.356 45.100 0.071 0.000 0.671 38 G HN 0.320 nan 8.290 nan 0.000 0.485 39 E N 0.169 120.399 120.200 0.049 0.000 2.332 39 E HA 0.307 4.657 4.350 -0.000 0.000 0.202 39 E C 0.758 177.387 176.600 0.048 0.000 0.877 39 E CA 1.123 57.551 56.400 0.046 0.000 0.979 39 E CB 0.425 30.146 29.700 0.034 0.000 0.969 39 E HN 0.669 nan 8.360 nan 0.000 0.495 40 K N -0.004 120.423 120.400 0.046 0.000 2.546 40 K HA 0.427 4.747 4.320 -0.000 0.000 0.264 40 K C -1.076 175.554 176.600 0.050 0.000 0.937 40 K CA -0.629 55.686 56.287 0.047 0.000 0.833 40 K CB 1.449 33.971 32.500 0.037 0.000 1.378 40 K HN -0.161 nan 8.250 nan 0.000 0.432 41 L N 1.551 122.808 121.223 0.057 0.000 2.312 41 L HA 0.468 4.808 4.340 -0.000 0.000 0.281 41 L C 0.022 176.926 176.870 0.056 0.000 1.070 41 L CA -0.651 54.227 54.840 0.064 0.000 0.805 41 L CB 1.532 43.635 42.059 0.072 0.000 1.174 41 L HN 0.793 nan 8.230 nan 0.000 0.434 42 T N 1.688 116.279 114.554 0.062 0.000 2.893 42 T HA 0.836 5.186 4.350 -0.000 0.000 0.291 42 T C -1.045 173.709 174.700 0.090 0.000 1.028 42 T CA -0.313 61.827 62.100 0.067 0.000 0.995 42 T CB 1.814 70.715 68.868 0.055 0.000 1.051 42 T HN 0.806 nan 8.240 nan 0.000 0.470 43 A N 2.820 125.707 122.820 0.112 0.000 2.606 43 A HA 0.750 5.070 4.320 -0.000 0.000 0.293 43 A C -1.607 176.107 177.584 0.216 0.000 1.082 43 A CA -0.606 51.515 52.037 0.141 0.000 0.685 43 A CB 1.569 20.622 19.000 0.088 0.000 1.284 43 A HN 0.950 nan 8.150 nan 0.000 0.408 44 H N 0.904 120.076 119.070 0.169 0.000 3.029 44 H HA 0.574 5.130 4.556 -0.000 0.000 0.358 44 H C -1.436 173.956 175.328 0.106 0.000 1.129 44 H CA -0.193 55.944 56.048 0.148 0.000 1.230 44 H CB 1.654 31.550 29.762 0.223 0.000 1.827 44 H HN 0.953 nan 8.280 nan 0.000 0.530 45 K N 2.954 122.922 120.400 -0.721 0.000 2.578 45 K HA 0.741 5.061 4.320 -0.000 0.000 0.287 45 K C -1.265 175.012 176.600 -0.538 0.000 1.010 45 K CA -0.847 55.155 56.287 -0.476 0.000 0.889 45 K CB 2.613 34.927 32.500 -0.310 0.000 1.514 45 K HN 0.696 nan 8.250 nan 0.000 0.424 46 G N 0.380 108.978 108.800 -0.337 0.000 2.342 46 G HA2 0.222 4.182 3.960 -0.000 0.000 0.297 46 G HA3 0.222 4.182 3.960 -0.000 0.000 0.297 46 G C -1.810 173.040 174.900 -0.083 0.000 1.313 46 G CA -0.922 44.091 45.100 -0.146 0.000 0.830 46 G HN 0.517 nan 8.290 nan 0.000 0.506 47 Q N -0.687 119.116 119.800 0.005 0.000 2.312 47 Q HA 0.564 4.904 4.340 -0.000 0.000 0.236 47 Q C 0.704 176.709 176.000 0.008 0.000 0.965 47 Q CA 0.721 56.530 55.803 0.011 0.000 0.894 47 Q CB 1.435 30.198 28.738 0.040 0.000 1.225 47 Q HN 1.946 nan 8.270 nan 0.000 0.478 48 G N -0.169 108.639 108.800 0.014 0.000 2.582 48 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.222 48 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.222 48 G C -1.262 173.658 174.900 0.032 0.000 1.311 48 G CA -1.069 44.044 45.100 0.021 0.000 0.915 48 G HN 0.363 nan 8.290 nan 0.000 0.528 49 L N 1.163 122.413 121.223 0.046 0.000 2.482 49 L HA 0.245 4.585 4.340 -0.000 0.000 0.273 49 L C 2.460 179.404 176.870 0.124 0.000 1.228 49 L CA -0.223 54.658 54.840 0.069 0.000 0.827 49 L CB 0.083 42.186 42.059 0.074 0.000 1.099 49 L HN 0.550 nan 8.230 nan 0.000 0.494 50 I N 0.698 121.374 120.570 0.177 0.000 2.151 50 I HA -0.285 3.885 4.170 -0.000 0.000 0.243 50 I C 2.160 178.538 176.117 0.435 0.000 1.080 50 I CA 1.939 63.447 61.300 0.347 0.000 1.339 50 I CB -1.977 36.160 38.000 0.229 0.000 1.039 50 I HN 0.804 nan 8.210 nan 0.000 0.409 51 T N -0.779 113.960 114.554 0.307 0.000 2.788 51 T HA -0.168 4.182 4.350 -0.000 0.000 0.268 51 T C 1.738 176.555 174.700 0.195 0.000 1.044 51 T CA 1.300 63.566 62.100 0.276 0.000 1.139 51 T CB -0.490 68.502 68.868 0.207 0.000 0.867 51 T HN 0.421 nan 8.240 nan 0.000 0.454 52 E N 0.694 120.978 120.200 0.139 0.000 2.028 52 E HA -0.060 4.290 4.350 -0.000 0.000 0.191 52 E C 2.443 179.070 176.600 0.046 0.000 0.988 52 E CA 1.126 57.576 56.400 0.082 0.000 0.799 52 E CB -0.287 29.450 29.700 0.060 0.000 0.755 52 E HN 0.311 nan 8.360 nan 0.000 0.447 53 V N 0.477 120.390 119.914 -0.002 0.000 2.407 53 V HA -0.195 3.925 4.120 -0.000 0.000 0.248 53 V C 0.715 176.602 176.094 -0.345 0.000 1.055 53 V CA 1.363 63.529 62.300 -0.225 0.000 1.049 53 V CB -0.272 31.301 31.823 -0.416 0.000 0.662 53 V HN 0.147 nan 8.190 nan 0.000 0.455 54 F N 0.149 120.199 119.950 0.166 0.000 2.449 54 F HA 0.410 4.937 4.527 -0.000 0.000 0.329 54 F C 1.317 177.124 175.800 0.011 0.000 1.245 54 F CA -0.762 57.274 58.000 0.060 0.000 1.193 54 F CB 0.558 39.603 39.000 0.075 0.000 1.425 54 F HN -0.081 nan 8.300 nan 0.000 0.544 55 Q N 0.614 120.462 119.800 0.080 0.000 2.152 55 Q HA -0.168 4.172 4.340 -0.000 0.000 0.206 55 Q C 0.531 176.540 176.000 0.016 0.000 0.985 55 Q CA 1.198 57.030 55.803 0.048 0.000 0.863 55 Q CB -0.209 28.539 28.738 0.018 0.000 0.904 55 Q HN 0.699 nan 8.270 nan 0.000 0.422 56 N N -3.504 115.190 118.700 -0.010 0.000 6.172 56 N HA -0.102 4.638 4.740 -0.000 0.000 0.410 56 N C 0.369 175.847 175.510 -0.054 0.000 1.367 56 N CA 1.934 54.953 53.050 -0.052 0.000 2.015 56 N CB -0.946 37.496 38.487 -0.074 0.000 0.695 56 N HN 0.296 nan 8.380 nan 0.000 0.473 57 G N 0.239 109.002 108.800 -0.062 0.000 2.420 57 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.221 57 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.221 57 G C 0.834 175.685 174.900 -0.081 0.000 1.117 57 G CA 1.050 46.115 45.100 -0.058 0.000 0.657 57 G HN 0.652 nan 8.290 nan 0.000 0.512 58 E N -0.006 120.121 120.200 -0.121 0.000 2.076 58 E HA 0.221 4.571 4.350 -0.000 0.000 0.190 58 E C 2.327 178.878 176.600 -0.082 0.000 0.979 58 E CA 1.084 57.360 56.400 -0.207 0.000 0.807 58 E CB -0.086 29.329 29.700 -0.476 0.000 0.761 58 E HN 0.391 nan 8.360 nan 0.000 0.454 59 L N 0.803 122.007 121.223 -0.032 0.000 2.465 59 L HA -0.042 4.298 4.340 -0.000 0.000 0.224 59 L C 1.570 178.396 176.870 -0.074 0.000 1.145 59 L CA 1.162 55.966 54.840 -0.060 0.000 0.834 59 L CB -0.202 41.701 42.059 -0.260 0.000 0.944 59 L HN -0.009 nan 8.230 nan 0.000 0.451 60 S N -1.298 114.363 115.700 -0.065 0.000 2.474 60 S HA -0.052 4.418 4.470 -0.000 0.000 0.235 60 S C 1.689 176.275 174.600 -0.024 0.000 0.997 60 S CA 0.529 58.701 58.200 -0.047 0.000 0.949 60 S CB -0.243 62.931 63.200 -0.044 0.000 0.766 60 S HN 0.383 nan 8.310 nan 0.000 0.517 61 K N 1.089 121.481 120.400 -0.012 0.000 2.284 61 K HA 0.269 4.589 4.320 -0.000 0.000 0.198 61 K C 0.333 176.952 176.600 0.031 0.000 1.048 61 K CA 0.188 56.481 56.287 0.010 0.000 0.987 61 K CB -0.277 32.233 32.500 0.017 0.000 0.800 61 K HN 0.245 nan 8.250 nan 0.000 0.486 62 V N 3.769 123.708 119.914 0.041 0.000 2.389 62 V HA 0.107 4.227 4.120 -0.000 0.000 0.264 62 V C -0.027 176.077 176.094 0.016 0.000 1.049 62 V CA -0.148 62.184 62.300 0.053 0.000 0.932 62 V CB 0.323 32.199 31.823 0.089 0.000 1.011 62 V HN 0.105 nan 8.190 nan 0.000 0.475 63 K N 3.692 124.101 120.400 0.015 0.000 2.371 63 K HA 0.874 5.194 4.320 -0.000 0.000 0.251 63 K C 0.057 176.655 176.600 -0.004 0.000 0.934 63 K CA -0.613 55.675 56.287 0.001 0.000 0.798 63 K CB 2.566 35.067 32.500 0.001 0.000 1.204 63 K HN 0.836 nan 8.250 nan 0.000 0.427 64 G N 0.966 109.755 108.800 -0.018 0.000 2.313 64 G HA2 0.057 4.017 3.960 -0.000 0.000 0.296 64 G HA3 0.057 4.017 3.960 -0.000 0.000 0.296 64 G C -0.762 174.089 174.900 -0.081 0.000 1.356 64 G CA -0.604 44.467 45.100 -0.048 0.000 0.833 64 G HN 0.450 nan 8.290 nan 0.000 0.552 65 K N -0.329 119.967 120.400 -0.173 0.000 2.358 65 K HA 0.343 4.663 4.320 -0.000 0.000 0.200 65 K C 0.618 176.968 176.600 -0.417 0.000 1.030 65 K CA 0.792 56.938 56.287 -0.234 0.000 1.097 65 K CB 0.939 33.282 32.500 -0.261 0.000 0.862 65 K HN 1.130 nan 8.250 nan 0.000 0.534 66 G N 0.352 108.865 108.800 -0.479 0.000 2.495 66 G HA2 0.700 4.660 3.960 -0.000 0.000 0.318 66 G HA3 0.700 4.660 3.960 -0.000 0.000 0.318 66 G C -1.494 173.362 174.900 -0.073 0.000 1.257 66 G CA -0.447 44.372 45.100 -0.468 0.000 0.962 66 G HN 0.360 nan 8.290 nan 0.000 0.483 67 A N 1.255 124.126 122.820 0.084 0.000 2.574 67 A HA 0.808 5.128 4.320 -0.000 0.000 0.297 67 A C -0.773 176.932 177.584 0.201 0.000 1.062 67 A CA -0.682 51.434 52.037 0.132 0.000 0.686 67 A CB 1.299 20.365 19.000 0.111 0.000 1.285 67 A HN 1.558 nan 8.150 nan 0.000 0.403 68 I N -0.796 119.893 120.570 0.199 0.000 2.608 68 I HA 0.957 5.127 4.170 -0.000 0.000 0.295 68 I C 0.059 176.308 176.117 0.220 0.000 1.049 68 I CA -0.859 60.573 61.300 0.221 0.000 1.063 68 I CB 2.411 40.533 38.000 0.203 0.000 1.248 68 I HN 0.818 nan 8.210 nan 0.000 0.424 69 G N 2.827 111.782 108.800 0.259 0.000 2.642 69 G HA2 0.570 4.530 3.960 -0.000 0.000 0.293 69 G HA3 0.570 4.530 3.960 -0.000 0.000 0.293 69 G C -2.125 172.948 174.900 0.288 0.000 1.341 69 G CA -0.486 44.760 45.100 0.243 0.000 0.916 69 G HN 0.915 nan 8.290 nan 0.000 0.474 70 H N -0.381 118.769 119.070 0.134 0.000 2.996 70 H HA 0.574 5.130 4.556 -0.000 0.000 0.368 70 H C -1.824 173.558 175.328 0.089 0.000 1.185 70 H CA -0.441 55.673 56.048 0.110 0.000 1.160 70 H CB 2.614 32.440 29.762 0.107 0.000 1.820 70 H HN 0.387 nan 8.280 nan 0.000 0.547 71 V N 5.154 124.874 119.914 -0.325 0.000 2.540 71 V HA 0.406 4.526 4.120 -0.000 0.000 0.302 71 V C 0.005 175.882 176.094 -0.362 0.000 1.035 71 V CA -0.622 61.551 62.300 -0.212 0.000 0.873 71 V CB 1.829 33.552 31.823 -0.167 0.000 0.992 71 V HN 0.671 nan 8.190 nan 0.000 0.428 72 R N 3.263 123.709 120.500 -0.090 0.000 2.589 72 R HA 0.487 4.827 4.340 -0.000 0.000 0.293 72 R C -1.827 174.544 176.300 0.119 0.000 0.963 72 R CA -0.593 55.532 56.100 0.043 0.000 0.905 72 R CB 1.572 31.971 30.300 0.164 0.000 1.144 72 R HN 0.673 nan 8.270 nan 0.000 0.459 73 Y N 2.231 122.551 120.300 0.034 0.000 2.341 73 Y HA 0.606 5.156 4.550 -0.000 0.000 0.337 73 Y C -1.279 174.657 175.900 0.059 0.000 1.014 73 Y CA -0.573 57.560 58.100 0.055 0.000 1.111 73 Y CB 1.843 40.346 38.460 0.072 0.000 1.194 73 Y HN 0.704 nan 8.280 nan 0.000 0.462 74 A N 4.033 126.913 122.820 0.099 0.000 2.408 74 A HA 0.433 4.753 4.320 -0.000 0.000 0.295 74 A C 0.613 178.207 177.584 0.016 0.000 1.040 74 A CA -0.067 52.050 52.037 0.132 0.000 0.707 74 A CB 0.592 19.632 19.000 0.068 0.000 1.235 74 A HN 0.886 nan 8.150 nan 0.000 0.418 75 T N 0.720 115.359 114.554 0.142 0.000 2.588 75 T HA 0.077 4.427 4.350 -0.000 0.000 0.261 75 T C 1.165 175.855 174.700 -0.017 0.000 1.069 75 T CA 1.367 63.534 62.100 0.112 0.000 1.172 75 T CB -0.513 68.451 68.868 0.160 0.000 0.863 75 T HN 1.667 nan 8.240 nan 0.000 0.408 76 A N 2.307 125.088 122.820 -0.066 0.000 2.437 76 A HA 0.592 4.912 4.320 -0.000 0.000 0.303 76 A C 1.004 178.572 177.584 -0.026 0.000 1.324 76 A CA -0.297 51.695 52.037 -0.075 0.000 0.983 76 A CB -0.718 18.226 19.000 -0.093 0.000 1.142 76 A HN 0.738 nan 8.150 nan 0.000 0.541 77 G N 1.653 110.436 108.800 -0.027 0.000 2.178 77 G HA2 0.438 4.398 3.960 -0.000 0.000 0.276 77 G HA3 0.438 4.398 3.960 -0.000 0.000 0.276 77 G C 0.789 175.688 174.900 -0.002 0.000 1.038 77 G CA 0.784 45.870 45.100 -0.024 0.000 1.177 77 G HN 1.710 nan 8.290 nan 0.000 0.396 78 G N 1.214 110.020 108.800 0.009 0.000 2.201 78 G HA2 0.475 4.435 3.960 -0.000 0.000 0.102 78 G HA3 0.475 4.435 3.960 -0.000 0.000 0.102 78 G C 1.163 176.086 174.900 0.038 0.000 0.833 78 G CA 1.242 46.356 45.100 0.024 0.000 1.207 78 G HN 2.044 nan 8.290 nan 0.000 0.435 79 G N -0.157 108.668 108.800 0.042 0.000 2.708 79 G HA2 0.410 4.370 3.960 -0.000 0.000 0.229 79 G HA3 0.410 4.370 3.960 -0.000 0.000 0.229 79 G C 1.880 176.816 174.900 0.060 0.000 1.236 79 G CA 1.374 46.507 45.100 0.054 0.000 0.749 79 G HN 2.942 nan 8.290 nan 0.000 0.515 80 G N -2.227 106.613 108.800 0.067 0.000 2.674 80 G HA2 0.241 4.201 3.960 -0.000 0.000 0.686 80 G HA3 0.241 4.201 3.960 -0.000 0.000 0.686 80 G C 0.050 175.023 174.900 0.122 0.000 1.195 80 G CA 0.586 45.742 45.100 0.092 0.000 0.776 80 G HN 1.714 nan 8.290 nan 0.000 0.654 81 Y N 1.048 121.350 120.300 0.004 0.000 2.181 81 Y HA -0.233 4.317 4.550 0.000 0.000 0.284 81 Y C 2.555 178.453 175.900 -0.003 0.000 1.179 81 Y CA 3.088 61.183 58.100 -0.009 0.000 1.179 81 Y CB 0.009 38.455 38.460 -0.024 0.000 0.973 81 Y HN 0.763 nan 8.280 nan 0.000 0.519 82 E N -0.035 120.288 120.200 0.205 0.000 2.209 82 E HA -0.197 4.153 4.350 -0.000 0.000 0.196 82 E C 1.275 177.887 176.600 0.021 0.000 0.993 82 E CA 1.549 58.020 56.400 0.118 0.000 0.819 82 E CB -0.340 29.440 29.700 0.133 0.000 0.745 82 E HN 0.525 nan 8.360 nan 0.000 0.477 83 N N 0.288 118.999 118.700 0.018 0.000 2.236 83 N HA 0.063 4.803 4.740 -0.000 0.000 0.196 83 N C -0.524 174.983 175.510 -0.005 0.000 1.114 83 N CA 0.050 53.117 53.050 0.028 0.000 0.859 83 N CB 0.960 39.485 38.487 0.063 0.000 0.982 83 N HN 0.009 nan 8.380 nan 0.000 0.493 84 V N 1.758 121.616 119.914 -0.093 0.000 2.649 84 V HA 0.136 4.256 4.120 -0.000 0.000 0.292 84 V C 0.398 176.419 176.094 -0.122 0.000 1.055 84 V CA -0.081 62.154 62.300 -0.109 0.000 1.023 84 V CB 1.570 33.233 31.823 -0.266 0.000 0.992 84 V HN 0.107 nan 8.190 nan 0.000 0.480 85 Q N 4.281 124.063 119.800 -0.030 0.000 2.378 85 Q HA 0.477 4.817 4.340 -0.000 0.000 0.276 85 Q C -2.650 173.354 176.000 0.007 0.000 1.083 85 Q CA -2.030 53.724 55.803 -0.083 0.000 0.856 85 Q CB 2.033 30.587 28.738 -0.306 0.000 1.383 85 Q HN 0.455 nan 8.270 nan 0.000 0.458 86 P HA 0.074 nan 4.420 nan 0.000 0.275 86 P C -1.056 176.221 177.300 -0.038 0.000 1.228 86 P CA -0.323 62.776 63.100 -0.001 0.000 0.786 86 P CB 0.473 32.213 31.700 0.066 0.000 0.927 87 L N 3.123 124.331 121.223 -0.025 0.000 2.380 87 L HA 0.270 4.610 4.340 -0.000 0.000 0.273 87 L C 0.150 176.915 176.870 -0.175 0.000 1.138 87 L CA 0.317 55.085 54.840 -0.120 0.000 0.832 87 L CB 0.017 42.074 42.059 -0.003 0.000 1.124 87 L HN 0.298 nan 8.230 nan 0.000 0.454 88 L N 3.847 124.850 121.223 -0.366 0.000 2.349 88 L HA 0.532 4.872 4.340 -0.000 0.000 0.278 88 L C -1.257 175.320 176.870 -0.488 0.000 0.996 88 L CA -0.402 54.296 54.840 -0.237 0.000 0.825 88 L CB 0.979 42.968 42.059 -0.116 0.000 1.243 88 L HN 0.375 nan 8.230 nan 0.000 0.412 89 F N 3.856 123.792 119.950 -0.024 0.000 2.458 89 F HA 0.638 5.165 4.527 -0.000 0.000 0.330 89 F C 0.260 176.045 175.800 -0.026 0.000 1.082 89 F CA -0.680 57.294 58.000 -0.043 0.000 0.995 89 F CB 1.430 40.378 39.000 -0.086 0.000 1.170 89 F HN 0.308 nan 8.300 nan 0.000 0.478 90 R N 0.886 121.449 120.500 0.105 0.000 2.807 90 R HA 0.720 5.060 4.340 -0.000 0.000 0.276 90 R C -1.316 175.020 176.300 0.060 0.000 0.979 90 R CA -0.988 55.150 56.100 0.063 0.000 0.928 90 R CB 1.971 32.290 30.300 0.032 0.000 1.191 90 R HN 0.712 nan 8.270 nan 0.000 0.471 91 S N 0.367 116.091 115.700 0.041 0.000 2.653 91 S HA 0.111 4.581 4.470 -0.000 0.000 0.268 91 S C -0.967 173.645 174.600 0.020 0.000 1.153 91 S CA -0.917 57.299 58.200 0.026 0.000 1.036 91 S CB 1.815 65.024 63.200 0.015 0.000 1.103 91 S HN 0.422 nan 8.310 nan 0.000 0.466 92 Q N 2.422 122.233 119.800 0.017 0.000 2.337 92 Q HA 0.376 4.716 4.340 -0.000 0.000 0.270 92 Q C 0.543 176.550 176.000 0.012 0.000 1.002 92 Q CA 1.434 57.246 55.803 0.015 0.000 0.888 92 Q CB 0.215 28.961 28.738 0.013 0.000 1.222 92 Q HN 0.990 nan 8.270 nan 0.000 0.400 93 N N 2.530 121.238 118.700 0.014 0.000 2.754 93 N HA -0.257 4.483 4.740 -0.000 0.000 0.248 93 N C -0.914 174.603 175.510 0.011 0.000 1.093 93 N CA 1.305 54.362 53.050 0.012 0.000 0.699 93 N CB -1.330 37.163 38.487 0.010 0.000 1.016 93 N HN 0.800 nan 8.380 nan 0.000 0.552 94 N N -1.087 117.620 118.700 0.012 0.000 1.844 94 N HA 0.229 4.969 4.740 -0.000 0.000 0.232 94 N C -0.305 175.211 175.510 0.011 0.000 1.452 94 N CA 1.118 54.173 53.050 0.008 0.000 0.701 94 N CB 0.562 39.049 38.487 -0.001 0.000 1.038 94 N HN 0.823 nan 8.380 nan 0.000 0.573 95 G N -0.053 108.759 108.800 0.021 0.000 2.650 95 G HA2 -0.006 3.954 3.960 -0.000 0.000 0.686 95 G HA3 -0.006 3.954 3.960 -0.000 0.000 0.686 95 G C -1.030 173.894 174.900 0.039 0.000 1.205 95 G CA -0.276 44.842 45.100 0.030 0.000 0.781 95 G HN 0.235 nan 8.290 nan 0.000 0.648 96 S N -0.436 115.295 115.700 0.052 0.000 2.654 96 S HA 0.805 5.275 4.470 -0.000 0.000 0.283 96 S C -0.212 174.436 174.600 0.079 0.000 1.180 96 S CA -0.447 57.794 58.200 0.069 0.000 1.021 96 S CB 1.808 65.046 63.200 0.064 0.000 1.018 96 S HN 1.495 nan 8.310 nan 0.000 0.532 97 L N 1.849 123.140 121.223 0.114 0.000 2.482 97 L HA 0.742 5.082 4.340 -0.000 0.000 0.269 97 L C -0.886 176.084 176.870 0.166 0.000 0.967 97 L CA -0.181 54.728 54.840 0.115 0.000 0.851 97 L CB 1.159 43.266 42.059 0.080 0.000 1.242 97 L HN 0.770 nan 8.230 nan 0.000 0.404 98 A N 4.973 127.868 122.820 0.125 0.000 2.337 98 A HA 0.937 5.257 4.320 -0.000 0.000 0.329 98 A C -1.648 176.010 177.584 0.123 0.000 1.146 98 A CA -0.431 51.678 52.037 0.120 0.000 0.800 98 A CB 1.135 20.196 19.000 0.102 0.000 1.220 98 A HN 0.563 nan 8.150 nan 0.000 0.472 99 L N 0.717 122.020 121.223 0.133 0.000 2.445 99 L HA 0.821 5.161 4.340 -0.000 0.000 0.262 99 L C -0.004 176.953 176.870 0.147 0.000 0.974 99 L CA -0.271 54.652 54.840 0.138 0.000 0.822 99 L CB 1.929 44.059 42.059 0.118 0.000 1.339 99 L HN 0.906 nan 8.230 nan 0.000 0.409 100 A N 0.767 123.704 122.820 0.195 0.000 2.398 100 A HA 0.713 5.033 4.320 -0.000 0.000 0.301 100 A C -1.559 176.179 177.584 0.258 0.000 1.041 100 A CA -0.447 51.654 52.037 0.107 0.000 0.711 100 A CB 1.225 20.309 19.000 0.140 0.000 1.240 100 A HN 0.848 nan 8.150 nan 0.000 0.420 101 H N 1.918 121.003 119.070 0.025 0.000 2.621 101 H HA 0.631 5.187 4.556 -0.000 0.000 0.360 101 H C -1.397 173.974 175.328 0.072 0.000 1.163 101 H CA -0.736 55.290 56.048 -0.037 0.000 1.194 101 H CB 1.705 31.414 29.762 -0.088 0.000 1.649 101 H HN 0.669 nan 8.280 nan 0.000 0.532 102 N N 2.600 121.113 118.700 -0.312 0.000 2.519 102 N HA 0.432 5.172 4.740 -0.000 0.000 0.286 102 N C -0.931 174.256 175.510 -0.538 0.000 1.079 102 N CA 0.441 53.308 53.050 -0.305 0.000 0.878 102 N CB 1.662 40.113 38.487 -0.061 0.000 1.375 102 N HN 1.053 nan 8.380 nan 0.000 0.514 103 G N 1.972 110.380 108.800 -0.653 0.000 2.373 103 G HA2 0.174 4.134 3.960 -0.000 0.000 0.250 103 G HA3 0.174 4.134 3.960 -0.000 0.000 0.250 103 G C -1.942 172.898 174.900 -0.102 0.000 1.304 103 G CA -0.850 44.088 45.100 -0.271 0.000 0.948 103 G HN 0.754 nan 8.290 nan 0.000 0.474 104 N N -0.826 118.015 118.700 0.236 0.000 2.554 104 N HA 0.486 5.226 4.740 -0.000 0.000 0.271 104 N C -1.165 174.547 175.510 0.337 0.000 1.081 104 N CA -0.577 52.646 53.050 0.289 0.000 0.994 104 N CB 1.406 40.007 38.487 0.190 0.000 1.641 104 N HN 0.571 nan 8.380 nan 0.000 0.511 105 L N 3.641 125.040 121.223 0.293 0.000 2.261 105 L HA 0.350 4.690 4.340 -0.000 0.000 0.289 105 L C 1.225 178.209 176.870 0.190 0.000 1.059 105 L CA -0.627 54.359 54.840 0.244 0.000 0.816 105 L CB 1.299 43.454 42.059 0.160 0.000 1.191 105 L HN 0.483 nan 8.230 nan 0.000 0.431 106 V N 2.749 122.791 119.914 0.213 0.000 2.913 106 V HA -0.166 3.954 4.120 -0.000 0.000 0.260 106 V C 1.421 177.640 176.094 0.208 0.000 1.098 106 V CA 1.627 64.023 62.300 0.160 0.000 1.121 106 V CB -0.624 31.282 31.823 0.137 0.000 0.714 106 V HN 1.013 nan 8.190 nan 0.000 0.487 107 N N -0.533 118.274 118.700 0.178 0.000 2.416 107 N HA 0.241 4.981 4.740 -0.000 0.000 0.267 107 N C 0.981 176.471 175.510 -0.033 0.000 1.294 107 N CA 0.554 53.623 53.050 0.032 0.000 0.891 107 N CB 0.619 39.075 38.487 -0.050 0.000 1.238 107 N HN 0.198 nan 8.380 nan 0.000 0.508 108 A N 0.882 123.700 122.820 -0.002 0.000 1.902 108 A HA -0.123 4.197 4.320 -0.000 0.000 0.217 108 A C 2.074 179.595 177.584 -0.104 0.000 1.181 108 A CA 2.015 54.026 52.037 -0.043 0.000 0.623 108 A CB -1.085 17.904 19.000 -0.018 0.000 0.818 108 A HN 0.374 nan 8.150 nan 0.000 0.443 109 T N -0.298 114.197 114.554 -0.099 0.000 2.684 109 T HA -0.235 4.115 4.350 -0.000 0.000 0.267 109 T C 2.070 176.689 174.700 -0.136 0.000 1.036 109 T CA 1.631 63.656 62.100 -0.124 0.000 1.148 109 T CB -0.339 68.474 68.868 -0.093 0.000 0.863 109 T HN 0.669 nan 8.240 nan 0.000 0.436 110 Q N 0.674 120.389 119.800 -0.142 0.000 1.975 110 Q HA -0.122 4.218 4.340 -0.000 0.000 0.205 110 Q C 2.402 178.325 176.000 -0.129 0.000 0.990 110 Q CA 1.506 57.216 55.803 -0.155 0.000 0.845 110 Q CB -0.406 28.192 28.738 -0.233 0.000 0.913 110 Q HN 0.487 nan 8.270 nan 0.000 0.420 111 L N 0.543 121.694 121.223 -0.120 0.000 2.043 111 L HA -0.249 4.091 4.340 -0.000 0.000 0.212 111 L C 2.746 179.561 176.870 -0.092 0.000 1.075 111 L CA 1.622 56.409 54.840 -0.088 0.000 0.752 111 L CB -0.435 41.581 42.059 -0.071 0.000 0.891 111 L HN 0.243 nan 8.230 nan 0.000 0.432 112 K N -0.471 119.825 120.400 -0.173 0.000 2.057 112 K HA -0.239 4.081 4.320 -0.000 0.000 0.206 112 K C 2.189 178.693 176.600 -0.160 0.000 1.050 112 K CA 1.408 57.512 56.287 -0.305 0.000 0.935 112 K CB -0.060 32.108 32.500 -0.553 0.000 0.715 112 K HN 0.291 nan 8.250 nan 0.000 0.439 113 Q N 0.873 120.597 119.800 -0.126 0.000 2.084 113 Q HA -0.223 4.117 4.340 -0.000 0.000 0.202 113 Q C 1.977 177.953 176.000 -0.040 0.000 0.978 113 Q CA 1.614 57.371 55.803 -0.076 0.000 0.844 113 Q CB 0.159 28.848 28.738 -0.080 0.000 0.898 113 Q HN 0.325 nan 8.270 nan 0.000 0.426 114 Q N -0.414 119.360 119.800 -0.044 0.000 1.993 114 Q HA -0.179 4.161 4.340 -0.000 0.000 0.202 114 Q C 2.053 178.054 176.000 0.002 0.000 0.984 114 Q CA 1.197 56.984 55.803 -0.026 0.000 0.837 114 Q CB -0.096 28.621 28.738 -0.036 0.000 0.902 114 Q HN 0.307 nan 8.270 nan 0.000 0.423 115 L N 1.330 122.574 121.223 0.035 0.000 2.079 115 L HA -0.198 4.142 4.340 -0.000 0.000 0.210 115 L C 2.071 178.979 176.870 0.063 0.000 1.081 115 L CA 1.782 56.660 54.840 0.063 0.000 0.752 115 L CB -1.096 41.065 42.059 0.170 0.000 0.896 115 L HN 0.323 nan 8.230 nan 0.000 0.433 116 E N -0.651 119.623 120.200 0.123 0.000 2.110 116 E HA -0.209 4.141 4.350 -0.000 0.000 0.193 116 E C 1.719 178.335 176.600 0.026 0.000 0.988 116 E CA 0.869 57.324 56.400 0.091 0.000 0.804 116 E CB -0.091 29.671 29.700 0.104 0.000 0.745 116 E HN 0.498 nan 8.360 nan 0.000 0.458 117 N N 0.981 119.688 118.700 0.012 0.000 2.364 117 N HA -0.118 4.622 4.740 -0.000 0.000 0.183 117 N C 0.970 176.475 175.510 -0.008 0.000 1.022 117 N CA 0.860 53.909 53.050 -0.002 0.000 0.883 117 N CB 0.054 38.535 38.487 -0.010 0.000 0.965 117 N HN 0.292 nan 8.380 nan 0.000 0.438 118 Q N -0.747 119.047 119.800 -0.010 0.000 2.222 118 Q HA 0.284 4.624 4.340 -0.000 0.000 0.206 118 Q C 0.193 176.178 176.000 -0.024 0.000 0.877 118 Q CA -0.045 55.748 55.803 -0.017 0.000 0.958 118 Q CB 0.618 29.344 28.738 -0.020 0.000 1.075 118 Q HN 0.305 nan 8.270 nan 0.000 0.483 119 G N 0.911 109.697 108.800 -0.024 0.000 2.165 119 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.226 119 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.226 119 G C -0.161 174.700 174.900 -0.065 0.000 1.035 119 G CA -0.045 45.035 45.100 -0.032 0.000 0.744 119 G HN 0.226 nan 8.290 nan 0.000 0.501 120 S N 0.028 115.665 115.700 -0.105 0.000 2.489 120 S HA 0.768 5.238 4.470 -0.000 0.000 0.291 120 S C 0.431 174.867 174.600 -0.272 0.000 1.151 120 S CA -0.452 57.578 58.200 -0.284 0.000 1.082 120 S CB 1.385 64.227 63.200 -0.597 0.000 1.019 120 S HN 0.887 nan 8.310 nan 0.000 0.492 121 I N -0.114 120.279 120.570 -0.295 0.000 2.404 121 I HA 0.668 4.838 4.170 -0.000 0.000 0.293 121 I C -1.355 174.624 176.117 -0.230 0.000 0.992 121 I CA -0.784 60.442 61.300 -0.124 0.000 1.149 121 I CB 0.943 38.931 38.000 -0.020 0.000 1.315 121 I HN 0.322 nan 8.210 nan 0.000 0.446 122 F N 3.327 123.282 119.950 0.009 0.000 2.492 122 F HA 0.463 4.990 4.527 0.000 0.000 0.327 122 F C 1.122 176.972 175.800 0.083 0.000 1.079 122 F CA -0.389 57.651 58.000 0.068 0.000 0.967 122 F CB 1.958 40.962 39.000 0.006 0.000 1.169 122 F HN 0.530 nan 8.300 nan 0.000 0.472 123 Q N 0.040 120.005 119.800 0.274 0.000 2.280 123 Q HA 0.159 4.499 4.340 -0.000 0.000 0.228 123 Q C 0.074 176.177 176.000 0.171 0.000 0.857 123 Q CA 0.171 56.083 55.803 0.181 0.000 0.939 123 Q CB 1.150 29.971 28.738 0.139 0.000 1.114 123 Q HN 0.800 nan 8.270 nan 0.000 0.514 124 T N -2.267 112.416 114.554 0.214 0.000 2.887 124 T HA 0.403 4.753 4.350 -0.000 0.000 0.292 124 T C 0.169 174.961 174.700 0.153 0.000 1.087 124 T CA -0.797 61.402 62.100 0.164 0.000 1.009 124 T CB 1.794 70.760 68.868 0.163 0.000 1.203 124 T HN -0.046 nan 8.240 nan 0.000 0.518 125 S N 0.163 115.925 115.700 0.104 0.000 2.526 125 S HA 0.405 4.875 4.470 -0.000 0.000 0.245 125 S C 0.351 174.998 174.600 0.079 0.000 1.103 125 S CA -0.711 57.527 58.200 0.063 0.000 1.095 125 S CB -0.307 62.913 63.200 0.034 0.000 0.826 125 S HN 0.815 nan 8.310 nan 0.000 0.468 126 S N 0.939 116.714 115.700 0.124 0.000 2.554 126 S HA 0.279 4.749 4.470 -0.000 0.000 0.278 126 S C 0.495 175.188 174.600 0.156 0.000 1.242 126 S CA -0.503 57.786 58.200 0.148 0.000 1.051 126 S CB 0.713 64.008 63.200 0.159 0.000 0.986 126 S HN 0.258 nan 8.310 nan 0.000 0.502 127 D N 2.862 123.364 120.400 0.169 0.000 2.224 127 D HA -0.016 4.624 4.640 -0.000 0.000 0.205 127 D C 1.779 178.165 176.300 0.142 0.000 0.965 127 D CA 1.107 55.186 54.000 0.132 0.000 0.852 127 D CB -0.427 40.442 40.800 0.115 0.000 0.947 127 D HN 0.649 nan 8.370 nan 0.000 0.494 128 T N 0.554 115.233 114.554 0.207 0.000 2.720 128 T HA -0.175 4.175 4.350 -0.000 0.000 0.268 128 T C 1.775 176.573 174.700 0.164 0.000 1.037 128 T CA 1.105 63.331 62.100 0.210 0.000 1.144 128 T CB -0.098 68.913 68.868 0.239 0.000 0.864 128 T HN 0.268 nan 8.240 nan 0.000 0.444 129 E N 0.298 120.651 120.200 0.255 0.000 2.106 129 E HA -0.106 4.244 4.350 -0.000 0.000 0.192 129 E C 2.231 179.045 176.600 0.356 0.000 0.984 129 E CA 0.708 57.313 56.400 0.343 0.000 0.806 129 E CB -0.039 29.958 29.700 0.494 0.000 0.750 129 E HN 0.268 nan 8.360 nan 0.000 0.458 130 V N 1.715 121.802 119.914 0.289 0.000 2.295 130 V HA -0.276 3.844 4.120 -0.000 0.000 0.246 130 V C 2.413 178.543 176.094 0.059 0.000 1.049 130 V CA 1.383 63.823 62.300 0.233 0.000 1.024 130 V CB -0.462 31.406 31.823 0.074 0.000 0.648 130 V HN 0.429 nan 8.190 nan 0.000 0.447 131 L N 0.048 121.221 121.223 -0.082 0.000 2.046 131 L HA -0.159 4.181 4.340 -0.000 0.000 0.208 131 L C 2.644 179.340 176.870 -0.289 0.000 1.077 131 L CA 2.262 56.937 54.840 -0.276 0.000 0.747 131 L CB -0.923 40.803 42.059 -0.555 0.000 0.896 131 L HN 0.390 nan 8.230 nan 0.000 0.432 132 A N -0.604 122.019 122.820 -0.328 0.000 1.892 132 A HA -0.306 4.014 4.320 -0.000 0.000 0.218 132 A C 1.884 179.119 177.584 -0.580 0.000 1.188 132 A CA 2.112 53.784 52.037 -0.608 0.000 0.631 132 A CB -1.015 17.274 19.000 -1.185 0.000 0.822 132 A HN 0.625 nan 8.150 nan 0.000 0.447 133 H N -0.473 118.384 119.070 -0.356 0.000 2.353 133 H HA 0.010 4.566 4.556 -0.000 0.000 0.300 133 H C 1.976 177.184 175.328 -0.200 0.000 1.090 133 H CA 1.620 57.507 56.048 -0.270 0.000 1.327 133 H CB -0.145 29.503 29.762 -0.190 0.000 1.383 133 H HN 0.346 nan 8.280 nan 0.000 0.508 134 L N 0.026 121.212 121.223 -0.063 0.000 2.046 134 L HA -0.180 4.160 4.340 -0.000 0.000 0.208 134 L C 2.225 178.999 176.870 -0.160 0.000 1.077 134 L CA 1.191 55.968 54.840 -0.105 0.000 0.747 134 L CB -0.491 41.487 42.059 -0.134 0.000 0.896 134 L HN 0.350 nan 8.230 nan 0.000 0.432 135 I N 0.243 120.682 120.570 -0.218 0.000 2.118 135 I HA -0.353 3.817 4.170 -0.000 0.000 0.241 135 I C 2.730 178.736 176.117 -0.185 0.000 1.070 135 I CA 1.504 62.672 61.300 -0.221 0.000 1.327 135 I CB -0.294 37.552 38.000 -0.256 0.000 1.034 135 I HN 0.231 nan 8.210 nan 0.000 0.405 136 K N 1.656 121.936 120.400 -0.200 0.000 2.026 136 K HA -0.128 4.192 4.320 -0.000 0.000 0.208 136 K C 1.983 178.510 176.600 -0.121 0.000 1.048 136 K CA 1.562 57.749 56.287 -0.166 0.000 0.929 136 K CB -0.247 32.130 32.500 -0.204 0.000 0.713 136 K HN 0.133 nan 8.250 nan 0.000 0.439 137 R N 0.810 121.247 120.500 -0.105 0.000 2.339 137 R HA 0.050 4.390 4.340 -0.000 0.000 0.199 137 R C 0.322 176.577 176.300 -0.075 0.000 1.018 137 R CA 0.172 56.227 56.100 -0.076 0.000 1.036 137 R CB -0.261 30.008 30.300 -0.053 0.000 0.899 137 R HN 0.100 nan 8.270 nan 0.000 0.473 138 S N -0.736 114.908 115.700 -0.092 0.000 2.565 138 S HA 0.254 4.724 4.470 -0.000 0.000 0.274 138 S C 1.360 175.915 174.600 -0.074 0.000 1.309 138 S CA -0.530 57.631 58.200 -0.065 0.000 1.043 138 S CB 1.580 64.718 63.200 -0.104 0.000 0.939 138 S HN 0.337 nan 8.310 nan 0.000 0.504 139 G N 2.564 111.335 108.800 -0.049 0.000 2.511 139 G HA2 0.024 3.984 3.960 -0.000 0.000 0.217 139 G HA3 0.024 3.984 3.960 -0.000 0.000 0.217 139 G C 0.314 174.924 174.900 -0.484 0.000 1.133 139 G CA 0.363 45.336 45.100 -0.211 0.000 0.792 139 G HN 0.800 nan 8.290 nan 0.000 0.539 140 H N -0.986 117.747 119.070 -0.561 0.000 2.822 140 H HA 0.223 4.779 4.556 -0.000 0.000 0.373 140 H C 0.858 175.725 175.328 -0.768 0.000 1.223 140 H CA 0.022 55.558 56.048 -0.852 0.000 1.436 140 H CB 0.308 29.838 29.762 -0.388 0.000 1.439 140 H HN 0.104 nan 8.280 nan 0.000 0.618 141 F N -1.043 118.968 119.950 0.102 0.000 2.615 141 F HA 0.106 4.633 4.527 -0.000 0.000 0.297 141 F C 0.957 176.773 175.800 0.026 0.000 1.124 141 F CA 0.560 58.581 58.000 0.035 0.000 1.451 141 F CB 0.220 39.228 39.000 0.012 0.000 1.103 141 F HN 0.287 nan 8.300 nan 0.000 0.569 142 T N 0.522 115.133 114.554 0.095 0.000 2.916 142 T HA 0.240 4.590 4.350 -0.000 0.000 0.305 142 T C 0.748 175.440 174.700 -0.015 0.000 1.119 142 T CA -0.640 61.490 62.100 0.051 0.000 1.008 142 T CB 2.197 71.113 68.868 0.081 0.000 1.129 142 T HN -0.124 nan 8.240 nan 0.000 0.480 143 L N 2.577 123.778 121.223 -0.037 0.000 2.034 143 L HA -0.174 4.166 4.340 -0.000 0.000 0.217 143 L C 2.486 179.300 176.870 -0.094 0.000 1.077 143 L CA 2.090 56.885 54.840 -0.075 0.000 0.769 143 L CB -0.375 41.644 42.059 -0.067 0.000 0.890 143 L HN 0.743 nan 8.230 nan 0.000 0.435 144 K N -0.355 120.004 120.400 -0.068 0.000 2.032 144 K HA -0.224 4.096 4.320 -0.000 0.000 0.209 144 K C 1.611 178.158 176.600 -0.088 0.000 1.048 144 K CA 2.011 58.255 56.287 -0.071 0.000 0.927 144 K CB -0.047 32.429 32.500 -0.040 0.000 0.712 144 K HN 0.473 nan 8.250 nan 0.000 0.441 145 D N 0.183 120.541 120.400 -0.069 0.000 2.162 145 D HA -0.113 4.527 4.640 -0.000 0.000 0.203 145 D C 2.020 178.137 176.300 -0.304 0.000 0.967 145 D CA 0.907 54.838 54.000 -0.115 0.000 0.840 145 D CB 0.026 40.849 40.800 0.039 0.000 0.972 145 D HN 0.385 nan 8.370 nan 0.000 0.482 146 Q N 0.381 120.039 119.800 -0.238 0.000 2.079 146 Q HA -0.064 4.276 4.340 -0.000 0.000 0.200 146 Q C 2.462 178.294 176.000 -0.280 0.000 0.974 146 Q CA 0.780 56.415 55.803 -0.279 0.000 0.840 146 Q CB 0.079 28.706 28.738 -0.186 0.000 0.898 146 Q HN 0.327 nan 8.270 nan 0.000 0.430 147 I N 0.557 120.980 120.570 -0.244 0.000 2.252 147 I HA -0.270 3.900 4.170 -0.000 0.000 0.245 147 I C 2.451 178.390 176.117 -0.297 0.000 1.102 147 I CA 1.055 62.188 61.300 -0.278 0.000 1.385 147 I CB -0.215 37.635 38.000 -0.250 0.000 1.064 147 I HN 0.123 nan 8.210 nan 0.000 0.414 148 K N 1.273 121.531 120.400 -0.237 0.000 2.026 148 K HA -0.195 4.125 4.320 -0.000 0.000 0.208 148 K C 1.750 178.249 176.600 -0.169 0.000 1.048 148 K CA 2.043 58.226 56.287 -0.174 0.000 0.929 148 K CB -0.079 32.370 32.500 -0.084 0.000 0.713 148 K HN 0.299 nan 8.250 nan 0.000 0.439 149 N N -0.526 118.023 118.700 -0.251 0.000 2.331 149 N HA -0.045 4.695 4.740 -0.000 0.000 0.180 149 N C 1.413 176.809 175.510 -0.189 0.000 1.019 149 N CA 0.867 53.778 53.050 -0.232 0.000 0.881 149 N CB 0.237 38.458 38.487 -0.443 0.000 0.972 149 N HN 0.050 nan 8.380 nan 0.000 0.435 150 S N 0.615 116.174 115.700 -0.234 0.000 2.387 150 S HA 0.026 4.496 4.470 -0.000 0.000 0.226 150 S C 1.825 176.291 174.600 -0.223 0.000 1.026 150 S CA 0.638 58.706 58.200 -0.221 0.000 0.972 150 S CB -0.170 62.867 63.200 -0.271 0.000 0.814 150 S HN 0.257 nan 8.310 nan 0.000 0.477 151 L N 1.410 122.460 121.223 -0.289 0.000 2.127 151 L HA -0.106 4.234 4.340 -0.000 0.000 0.211 151 L C 2.378 179.229 176.870 -0.030 0.000 1.089 151 L CA 0.848 55.502 54.840 -0.310 0.000 0.757 151 L CB -0.765 40.935 42.059 -0.597 0.000 0.899 151 L HN 0.250 nan 8.230 nan 0.000 0.434 152 S N -0.298 115.419 115.700 0.028 0.000 2.419 152 S HA -0.132 4.338 4.470 -0.000 0.000 0.235 152 S C 1.796 176.442 174.600 0.076 0.000 1.019 152 S CA 1.372 59.637 58.200 0.108 0.000 0.982 152 S CB -0.185 63.058 63.200 0.072 0.000 0.789 152 S HN 0.417 nan 8.310 nan 0.000 0.490 153 M N 0.672 120.279 119.600 0.011 0.000 2.495 153 M HA 0.223 4.703 4.480 -0.000 0.000 0.237 153 M C -0.359 175.952 176.300 0.017 0.000 1.131 153 M CA 0.334 55.636 55.300 0.003 0.000 1.032 153 M CB 0.017 32.594 32.600 -0.038 0.000 1.513 153 M HN 0.122 nan 8.290 nan 0.000 0.488 154 L N 0.703 121.947 121.223 0.035 0.000 2.307 154 L HA 0.438 4.778 4.340 -0.000 0.000 0.282 154 L C -0.304 176.710 176.870 0.241 0.000 1.051 154 L CA -0.611 54.268 54.840 0.066 0.000 0.804 154 L CB 0.865 42.840 42.059 -0.139 0.000 1.197 154 L HN -0.110 nan 8.230 nan 0.000 0.431 155 K N 1.152 121.705 120.400 0.255 0.000 2.378 155 K HA 0.842 5.162 4.320 -0.000 0.000 0.252 155 K C -0.108 176.687 176.600 0.326 0.000 0.931 155 K CA 0.154 56.622 56.287 0.302 0.000 0.794 155 K CB 2.068 34.768 32.500 0.334 0.000 1.181 155 K HN 0.794 nan 8.250 nan 0.000 0.425 156 G N 0.807 109.796 108.800 0.315 0.000 2.306 156 G HA2 0.261 4.221 3.960 -0.000 0.000 0.262 156 G HA3 0.261 4.221 3.960 -0.000 0.000 0.262 156 G C -1.431 173.622 174.900 0.255 0.000 1.263 156 G CA -0.470 44.846 45.100 0.358 0.000 1.088 156 G HN 0.729 nan 8.290 nan 0.000 0.489 157 A N -0.290 122.709 122.820 0.298 0.000 2.306 157 A HA 0.935 5.255 4.320 -0.000 0.000 0.314 157 A C -0.606 177.137 177.584 0.265 0.000 1.164 157 A CA 0.301 52.405 52.037 0.112 0.000 0.822 157 A CB 0.532 19.596 19.000 0.107 0.000 1.130 157 A HN 2.177 nan 8.150 nan 0.000 0.496 158 Y N -1.070 119.272 120.300 0.070 0.000 2.333 158 Y HA 0.643 5.193 4.550 0.000 0.000 0.319 158 Y C -0.513 175.345 175.900 -0.071 0.000 1.200 158 Y CA -0.987 57.100 58.100 -0.023 0.000 1.084 158 Y CB 0.683 38.992 38.460 -0.253 0.000 1.268 158 Y HN 0.856 nan 8.280 nan 0.000 0.422 159 A N 4.322 127.165 122.820 0.039 0.000 2.273 159 A HA 0.805 5.125 4.320 -0.000 0.000 0.315 159 A C -1.891 175.732 177.584 0.064 0.000 1.256 159 A CA -0.489 51.596 52.037 0.081 0.000 0.851 159 A CB 0.199 19.229 19.000 0.050 0.000 1.172 159 A HN 0.569 nan 8.150 nan 0.000 0.508 160 F N 2.091 122.204 119.950 0.271 0.000 2.482 160 F HA 0.551 5.078 4.527 -0.000 0.000 0.331 160 F C -0.044 175.833 175.800 0.127 0.000 1.115 160 F CA -0.738 57.375 58.000 0.187 0.000 0.955 160 F CB 1.946 40.995 39.000 0.083 0.000 1.136 160 F HN 0.372 nan 8.300 nan 0.000 0.452 161 L N 5.489 126.912 121.223 0.333 0.000 2.313 161 L HA 0.601 4.941 4.340 -0.000 0.000 0.283 161 L C -0.724 176.255 176.870 0.182 0.000 1.013 161 L CA -0.656 54.315 54.840 0.218 0.000 0.816 161 L CB 1.700 43.876 42.059 0.195 0.000 1.236 161 L HN 0.482 nan 8.230 nan 0.000 0.419 162 I N 3.312 123.946 120.570 0.107 0.000 2.693 162 I HA 0.580 4.750 4.170 -0.000 0.000 0.303 162 I C -0.256 175.904 176.117 0.071 0.000 1.025 162 I CA -0.297 61.036 61.300 0.055 0.000 1.086 162 I CB 2.235 40.213 38.000 -0.037 0.000 1.268 162 I HN 0.589 nan 8.210 nan 0.000 0.440 163 M N 3.789 123.441 119.600 0.086 0.000 2.421 163 M HA 0.502 4.982 4.480 -0.000 0.000 0.287 163 M C -0.945 175.423 176.300 0.114 0.000 1.183 163 M CA -0.230 55.145 55.300 0.125 0.000 0.916 163 M CB 2.188 34.904 32.600 0.193 0.000 1.701 163 M HN 0.850 nan 8.290 nan 0.000 0.470 164 T N -0.661 113.967 114.554 0.124 0.000 2.676 164 T HA 0.519 4.869 4.350 -0.000 0.000 0.269 164 T C 0.402 175.208 174.700 0.177 0.000 0.952 164 T CA -0.495 61.672 62.100 0.111 0.000 1.040 164 T CB 0.950 69.852 68.868 0.058 0.000 1.352 164 T HN 0.634 nan 8.240 nan 0.000 0.554 165 E N 0.577 120.866 120.200 0.148 0.000 2.204 165 E HA 0.048 4.398 4.350 -0.000 0.000 0.194 165 E C 1.849 178.617 176.600 0.281 0.000 0.989 165 E CA 1.733 58.239 56.400 0.176 0.000 0.824 165 E CB -0.222 29.549 29.700 0.117 0.000 0.756 165 E HN 0.848 nan 8.360 nan 0.000 0.477 166 T N -3.088 111.618 114.554 0.253 0.000 3.003 166 T HA 0.288 4.638 4.350 -0.000 0.000 0.261 166 T C 0.095 174.842 174.700 0.078 0.000 1.003 166 T CA -0.390 61.875 62.100 0.275 0.000 0.917 166 T CB 0.325 69.273 68.868 0.134 0.000 1.084 166 T HN -0.045 nan 8.240 nan 0.000 0.522 167 E N 0.327 120.417 120.200 -0.183 0.000 2.423 167 E HA 0.622 4.972 4.350 -0.000 0.000 0.280 167 E C -1.544 174.742 176.600 -0.523 0.000 1.030 167 E CA -0.838 55.134 56.400 -0.714 0.000 0.812 167 E CB 1.808 31.265 29.700 -0.406 0.000 1.313 167 E HN 0.201 nan 8.360 nan 0.000 0.456 168 M N 1.612 120.855 119.600 -0.596 0.000 2.393 168 M HA 0.593 5.073 4.480 -0.000 0.000 0.316 168 M C -1.857 174.341 176.300 -0.171 0.000 1.087 168 M CA -0.802 54.375 55.300 -0.204 0.000 0.937 168 M CB 1.081 33.656 32.600 -0.043 0.000 1.668 168 M HN 0.573 nan 8.290 nan 0.000 0.438 169 I N 4.711 125.235 120.570 -0.076 0.000 2.436 169 I HA 0.515 4.685 4.170 -0.000 0.000 0.289 169 I C -0.913 175.206 176.117 0.003 0.000 1.010 169 I CA -0.462 60.801 61.300 -0.062 0.000 1.098 169 I CB 2.092 40.045 38.000 -0.077 0.000 1.266 169 I HN 0.399 nan 8.210 nan 0.000 0.434 170 V N 4.863 124.791 119.914 0.023 0.000 2.628 170 V HA 0.950 5.070 4.120 -0.000 0.000 0.306 170 V C -0.262 175.902 176.094 0.117 0.000 1.045 170 V CA -0.679 61.672 62.300 0.085 0.000 0.905 170 V CB 1.722 33.586 31.823 0.069 0.000 0.997 170 V HN 0.837 nan 8.190 nan 0.000 0.436 171 A N 4.085 127.022 122.820 0.195 0.000 2.459 171 A HA 0.834 5.154 4.320 -0.000 0.000 0.296 171 A C -1.731 176.071 177.584 0.363 0.000 1.039 171 A CA -0.414 51.779 52.037 0.260 0.000 0.698 171 A CB 1.614 20.691 19.000 0.128 0.000 1.261 171 A HN 0.843 nan 8.150 nan 0.000 0.405 172 L N 2.145 123.603 121.223 0.392 0.000 2.365 172 L HA 0.665 5.005 4.340 -0.000 0.000 0.273 172 L C -0.092 176.905 176.870 0.211 0.000 1.000 172 L CA -0.338 54.646 54.840 0.241 0.000 0.819 172 L CB 1.620 43.749 42.059 0.117 0.000 1.284 172 L HN 0.905 nan 8.230 nan 0.000 0.418 173 D N 4.200 124.460 120.400 -0.232 0.000 2.390 173 D HA 0.082 4.722 4.640 -0.000 0.000 0.236 173 D C -2.047 174.131 176.300 -0.204 0.000 1.189 173 D CA -0.826 52.876 54.000 -0.497 0.000 0.887 173 D CB 0.303 40.449 40.800 -1.091 0.000 1.198 173 D HN 0.457 nan 8.370 nan 0.000 0.444 174 P HA -0.071 nan 4.420 nan 0.000 0.229 174 P C -0.130 177.075 177.300 -0.158 0.000 1.150 174 P CA 0.857 63.852 63.100 -0.175 0.000 0.765 174 P CB 0.086 31.706 31.700 -0.133 0.000 0.783 175 N N -1.746 116.847 118.700 -0.179 0.000 2.294 175 N HA 0.174 4.914 4.740 -0.000 0.000 0.186 175 N C 1.006 176.414 175.510 -0.169 0.000 1.107 175 N CA 0.680 53.626 53.050 -0.175 0.000 0.884 175 N CB -0.345 38.017 38.487 -0.208 0.000 1.030 175 N HN -0.037 nan 8.380 nan 0.000 0.482 176 G N 1.236 109.939 108.800 -0.161 0.000 2.366 176 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.299 176 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.299 176 G C 0.719 175.548 174.900 -0.117 0.000 1.020 176 G CA 0.361 45.390 45.100 -0.118 0.000 1.026 176 G HN 0.318 nan 8.290 nan 0.000 0.512 177 L N -1.474 119.652 121.223 -0.162 0.000 2.083 177 L HA 0.064 4.404 4.340 -0.000 0.000 0.209 177 L C 1.846 178.660 176.870 -0.093 0.000 1.083 177 L CA 0.983 55.725 54.840 -0.163 0.000 0.752 177 L CB -0.140 41.749 42.059 -0.283 0.000 0.899 177 L HN 0.207 nan 8.230 nan 0.000 0.433 178 R N 0.535 120.985 120.500 -0.083 0.000 2.346 178 R HA 0.342 4.682 4.340 -0.000 0.000 0.311 178 R C -2.324 173.961 176.300 -0.024 0.000 0.983 178 R CA -2.614 53.457 56.100 -0.048 0.000 0.880 178 R CB 0.369 30.638 30.300 -0.052 0.000 1.100 178 R HN -0.106 nan 8.270 nan 0.000 0.453 179 P HA 0.219 nan 4.420 nan 0.000 0.271 179 P C -0.632 176.687 177.300 0.033 0.000 1.216 179 P CA -0.078 63.026 63.100 0.006 0.000 0.776 179 P CB 1.113 32.801 31.700 -0.020 0.000 0.881 180 L N 1.818 123.078 121.223 0.063 0.000 2.434 180 L HA 0.467 4.807 4.340 -0.000 0.000 0.260 180 L C -0.163 176.794 176.870 0.145 0.000 0.983 180 L CA -0.433 54.463 54.840 0.094 0.000 0.820 180 L CB 2.448 44.567 42.059 0.099 0.000 1.361 180 L HN 0.411 nan 8.230 nan 0.000 0.410 181 S N 1.820 117.647 115.700 0.211 0.000 2.588 181 S HA 0.728 5.198 4.470 -0.000 0.000 0.275 181 S C -0.874 173.950 174.600 0.373 0.000 1.130 181 S CA -0.639 57.764 58.200 0.338 0.000 0.855 181 S CB 2.509 66.061 63.200 0.586 0.000 1.116 181 S HN 0.356 nan 8.310 nan 0.000 0.472 182 I N 0.901 121.585 120.570 0.190 0.000 2.603 182 I HA 0.777 4.947 4.170 -0.000 0.000 0.300 182 I C 0.548 176.484 176.117 -0.302 0.000 1.017 182 I CA -0.294 61.016 61.300 0.017 0.000 1.098 182 I CB 2.163 40.129 38.000 -0.057 0.000 1.279 182 I HN 0.811 nan 8.210 nan 0.000 0.437 183 G N 4.797 113.327 108.800 -0.450 0.000 2.725 183 G HA2 0.783 4.743 3.960 -0.000 0.000 0.288 183 G HA3 0.783 4.743 3.960 -0.000 0.000 0.288 183 G C -1.403 173.326 174.900 -0.285 0.000 1.399 183 G CA -0.643 44.021 45.100 -0.726 0.000 0.859 183 G HN 0.358 nan 8.290 nan 0.000 0.479 184 M N 0.851 120.301 119.600 -0.250 0.000 2.386 184 M HA 0.477 4.957 4.480 -0.000 0.000 0.293 184 M C -1.206 175.014 176.300 -0.133 0.000 1.120 184 M CA -0.543 54.649 55.300 -0.181 0.000 0.909 184 M CB 2.709 35.207 32.600 -0.170 0.000 1.661 184 M HN 0.471 nan 8.290 nan 0.000 0.452 185 M N 3.117 122.662 119.600 -0.092 0.000 1.960 185 M HA 0.399 4.879 4.480 -0.000 0.000 0.271 185 M C 0.319 176.614 176.300 -0.007 0.000 0.862 185 M CA 0.326 55.624 55.300 -0.004 0.000 0.854 185 M CB 0.574 33.217 32.600 0.072 0.000 1.575 185 M HN 1.022 nan 8.290 nan 0.000 0.375 186 G N 3.278 112.056 108.800 -0.037 0.000 2.557 186 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.292 186 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.292 186 G C 0.254 175.089 174.900 -0.108 0.000 1.162 186 G CA 0.539 45.609 45.100 -0.049 0.000 0.964 186 G HN 0.636 nan 8.290 nan 0.000 0.541 187 D N 2.039 122.374 120.400 -0.110 0.000 2.367 187 D HA 0.426 5.066 4.640 -0.000 0.000 0.207 187 D C 1.457 177.613 176.300 -0.240 0.000 1.034 187 D CA 0.830 54.733 54.000 -0.162 0.000 0.861 187 D CB 0.289 41.036 40.800 -0.089 0.000 0.943 187 D HN 0.744 nan 8.370 nan 0.000 0.515 188 A N 0.534 123.267 122.820 -0.144 0.000 2.371 188 A HA 0.328 4.648 4.320 -0.000 0.000 0.257 188 A C -0.840 176.607 177.584 -0.229 0.000 1.089 188 A CA -0.072 51.924 52.037 -0.069 0.000 0.794 188 A CB 0.196 19.254 19.000 0.097 0.000 1.029 188 A HN -0.011 nan 8.150 nan 0.000 0.488 189 Y N 0.492 120.859 120.300 0.112 0.000 2.342 189 Y HA 0.481 5.031 4.550 -0.000 0.000 0.334 189 Y C 0.421 176.341 175.900 0.035 0.000 1.067 189 Y CA -0.204 57.924 58.100 0.047 0.000 1.128 189 Y CB 1.774 40.265 38.460 0.052 0.000 1.200 189 Y HN 0.497 nan 8.280 nan 0.000 0.464 190 V N 4.436 124.408 119.914 0.097 0.000 2.715 190 V HA 0.805 4.925 4.120 -0.000 0.000 0.310 190 V C -1.357 174.747 176.094 0.017 0.000 1.054 190 V CA -0.712 61.582 62.300 -0.010 0.000 0.928 190 V CB 1.994 33.817 31.823 -0.001 0.000 1.007 190 V HN 0.513 nan 8.190 nan 0.000 0.437 191 V N 5.032 124.889 119.914 -0.095 0.000 2.638 191 V HA 0.979 5.099 4.120 -0.000 0.000 0.306 191 V C -0.079 175.967 176.094 -0.080 0.000 1.052 191 V CA 0.106 62.424 62.300 0.029 0.000 0.885 191 V CB 1.385 33.225 31.823 0.028 0.000 0.999 191 V HN 1.314 nan 8.190 nan 0.000 0.424 192 A N 2.803 125.661 122.820 0.063 0.000 2.594 192 A HA 0.680 5.000 4.320 -0.000 0.000 0.295 192 A C 0.625 178.206 177.584 -0.005 0.000 1.071 192 A CA -0.094 51.934 52.037 -0.016 0.000 0.685 192 A CB 1.736 20.656 19.000 -0.133 0.000 1.285 192 A HN 0.613 nan 8.150 nan 0.000 0.405 193 S N 0.064 115.773 115.700 0.015 0.000 2.382 193 S HA -0.036 4.434 4.470 -0.000 0.000 0.228 193 S C 0.570 175.140 174.600 -0.051 0.000 1.027 193 S CA 1.755 59.955 58.200 -0.000 0.000 0.991 193 S CB -0.157 63.046 63.200 0.005 0.000 0.823 193 S HN 0.700 nan 8.310 nan 0.000 0.469 194 E N -1.023 119.105 120.200 -0.121 0.000 2.416 194 E HA 0.262 4.612 4.350 -0.000 0.000 0.273 194 E C 0.282 176.682 176.600 -0.333 0.000 0.935 194 E CA -0.147 56.159 56.400 -0.156 0.000 0.784 194 E CB 1.325 30.965 29.700 -0.100 0.000 1.301 194 E HN 0.159 nan 8.360 nan 0.000 0.454 195 T N -3.167 111.213 114.554 -0.291 0.000 3.043 195 T HA -0.096 4.254 4.350 -0.000 0.000 0.263 195 T C 2.079 176.639 174.700 -0.232 0.000 1.094 195 T CA 0.944 62.807 62.100 -0.394 0.000 1.127 195 T CB -0.849 67.984 68.868 -0.058 0.000 0.905 195 T HN 0.705 nan 8.240 nan 0.000 0.490 196 C N 1.971 121.188 119.300 -0.138 0.000 2.403 196 C HA 0.178 4.638 4.460 -0.000 0.000 0.277 196 C C 3.103 178.072 174.990 -0.034 0.000 1.248 196 C CA 0.116 59.095 59.018 -0.065 0.000 1.762 196 C CB -1.841 25.853 27.740 -0.077 0.000 2.014 196 C HN 0.635 nan 8.230 nan 0.000 0.486 197 A N 0.991 123.762 122.820 -0.081 0.000 1.917 197 A HA -0.042 4.278 4.320 -0.000 0.000 0.219 197 A C 1.866 179.566 177.584 0.193 0.000 1.182 197 A CA 1.939 53.989 52.037 0.023 0.000 0.633 197 A CB -0.879 18.174 19.000 0.088 0.000 0.819 197 A HN 0.562 nan 8.150 nan 0.000 0.448 198 F N 0.858 120.942 119.950 0.222 0.000 2.186 198 F HA -0.092 4.435 4.527 -0.000 0.000 0.299 198 F C 2.010 177.889 175.800 0.130 0.000 1.090 198 F CA 0.874 58.994 58.000 0.199 0.000 1.307 198 F CB -1.001 38.111 39.000 0.186 0.000 1.019 198 F HN 0.228 nan 8.300 nan 0.000 0.489 199 D N 0.150 120.703 120.400 0.255 0.000 2.117 199 D HA -0.123 4.517 4.640 -0.000 0.000 0.197 199 D C 2.575 178.938 176.300 0.106 0.000 0.987 199 D CA 1.126 55.215 54.000 0.148 0.000 0.829 199 D CB -0.772 40.077 40.800 0.081 0.000 0.961 199 D HN 0.114 nan 8.370 nan 0.000 0.460 200 V N 0.485 120.454 119.914 0.092 0.000 2.407 200 V HA -0.130 3.990 4.120 -0.000 0.000 0.248 200 V C 2.263 178.395 176.094 0.063 0.000 1.055 200 V CA 0.983 63.316 62.300 0.054 0.000 1.049 200 V CB -0.030 31.816 31.823 0.039 0.000 0.662 200 V HN 0.062 nan 8.190 nan 0.000 0.455 201 V N -0.190 119.803 119.914 0.133 0.000 3.647 201 V HA 0.365 4.485 4.120 -0.000 0.000 0.279 201 V C 1.592 177.762 176.094 0.128 0.000 1.314 201 V CA 1.076 63.458 62.300 0.137 0.000 1.125 201 V CB 0.046 32.011 31.823 0.236 0.000 0.907 201 V HN 0.745 nan 8.190 nan 0.000 0.434 202 G N 0.572 109.447 108.800 0.125 0.000 2.143 202 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.248 202 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.248 202 G C 0.231 175.195 174.900 0.107 0.000 0.991 202 G CA 0.276 45.435 45.100 0.099 0.000 0.689 202 G HN 1.060 nan 8.290 nan 0.000 0.522 203 A N -0.079 122.832 122.820 0.152 0.000 2.304 203 A HA 0.789 5.109 4.320 -0.000 0.000 0.301 203 A C 0.637 178.242 177.584 0.035 0.000 1.132 203 A CA 0.596 52.680 52.037 0.077 0.000 0.819 203 A CB 0.682 19.736 19.000 0.089 0.000 1.094 203 A HN 0.750 nan 8.150 nan 0.000 0.492 204 T N 2.074 116.601 114.554 -0.045 0.000 2.817 204 T HA 0.315 4.665 4.350 -0.000 0.000 0.293 204 T C -0.262 174.360 174.700 -0.130 0.000 0.964 204 T CA 0.250 62.334 62.100 -0.027 0.000 1.085 204 T CB 0.162 69.018 68.868 -0.020 0.000 0.921 204 T HN 0.449 nan 8.240 nan 0.000 0.502 205 Y N 3.314 123.520 120.300 -0.156 0.000 2.497 205 Y HA 0.251 4.801 4.550 -0.000 0.000 0.334 205 Y C 0.404 176.246 175.900 -0.096 0.000 1.199 205 Y CA -0.337 57.657 58.100 -0.176 0.000 1.425 205 Y CB 0.389 38.896 38.460 0.077 0.000 1.291 205 Y HN 0.547 nan 8.280 nan 0.000 0.562 206 L N 4.949 125.707 121.223 -0.775 0.000 2.546 206 L HA 0.421 4.761 4.340 -0.000 0.000 0.182 206 L C -0.090 176.268 176.870 -0.854 0.000 1.167 206 L CA 0.814 55.307 54.840 -0.579 0.000 0.845 206 L CB -0.054 41.812 42.059 -0.322 0.000 1.134 206 L HN 0.864 nan 8.230 nan 0.000 0.500 207 R N -2.061 117.849 120.500 -0.982 0.000 2.780 207 R HA 0.377 4.717 4.340 -0.000 0.000 0.280 207 R C -1.289 174.897 176.300 -0.191 0.000 1.016 207 R CA -0.876 54.946 56.100 -0.464 0.000 0.854 207 R CB 0.624 30.825 30.300 -0.165 0.000 1.293 207 R HN -0.280 nan 8.270 nan 0.000 0.483 208 E N 0.838 121.085 120.200 0.077 0.000 2.248 208 E HA 0.310 4.660 4.350 -0.000 0.000 0.272 208 E C -0.341 176.307 176.600 0.080 0.000 1.008 208 E CA -0.897 55.596 56.400 0.156 0.000 0.856 208 E CB 2.193 32.011 29.700 0.198 0.000 1.120 208 E HN 0.307 nan 8.360 nan 0.000 0.397 209 V N 3.024 122.989 119.914 0.085 0.000 2.555 209 V HA -0.013 4.107 4.120 -0.000 0.000 0.286 209 V C 0.730 176.856 176.094 0.055 0.000 1.044 209 V CA -0.231 62.106 62.300 0.062 0.000 1.026 209 V CB 0.684 32.555 31.823 0.079 0.000 0.981 209 V HN 0.460 nan 8.190 nan 0.000 0.480 210 E N 5.542 125.763 120.200 0.035 0.000 2.398 210 E HA 0.183 4.533 4.350 -0.000 0.000 0.263 210 E C -2.315 174.278 176.600 -0.011 0.000 1.046 210 E CA -2.043 54.363 56.400 0.011 0.000 0.908 210 E CB 0.436 30.133 29.700 -0.005 0.000 0.963 210 E HN 0.440 nan 8.360 nan 0.000 0.431 211 P HA -0.016 nan 4.420 nan 0.000 0.264 211 P C 0.634 177.829 177.300 -0.174 0.000 1.183 211 P CA 1.038 64.080 63.100 -0.097 0.000 0.763 211 P CB 0.402 32.031 31.700 -0.119 0.000 0.807 212 G N 1.367 109.996 108.800 -0.286 0.000 2.184 212 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.264 212 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.264 212 G C 0.134 174.637 174.900 -0.661 0.000 0.975 212 G CA 0.024 44.639 45.100 -0.808 0.000 0.642 212 G HN 0.635 nan 8.290 nan 0.000 0.536 213 E N 0.400 120.538 120.200 -0.102 0.000 2.216 213 E HA 0.645 4.995 4.350 -0.000 0.000 0.279 213 E C 0.647 177.445 176.600 0.330 0.000 0.997 213 E CA -0.895 55.557 56.400 0.087 0.000 0.817 213 E CB 0.384 30.110 29.700 0.043 0.000 1.096 213 E HN 0.530 nan 8.360 nan 0.000 0.393 214 M N 2.958 122.749 119.600 0.318 0.000 2.393 214 M HA 0.490 4.970 4.480 -0.000 0.000 0.316 214 M C -1.620 174.732 176.300 0.086 0.000 1.087 214 M CA -0.800 54.631 55.300 0.217 0.000 0.937 214 M CB 1.588 34.292 32.600 0.173 0.000 1.668 214 M HN 0.252 nan 8.290 nan 0.000 0.438 215 L N 3.711 124.952 121.223 0.030 0.000 2.329 215 L HA 0.659 4.999 4.340 -0.000 0.000 0.279 215 L C -1.140 175.685 176.870 -0.073 0.000 1.014 215 L CA -0.711 54.106 54.840 -0.038 0.000 0.814 215 L CB 2.098 44.118 42.059 -0.065 0.000 1.257 215 L HN 0.712 nan 8.230 nan 0.000 0.424 216 I N 4.018 124.522 120.570 -0.109 0.000 2.390 216 I HA 0.363 4.533 4.170 -0.000 0.000 0.283 216 I C -0.365 175.624 176.117 -0.213 0.000 1.016 216 I CA 0.118 61.329 61.300 -0.149 0.000 1.151 216 I CB 1.146 39.074 38.000 -0.120 0.000 1.293 216 I HN 0.356 nan 8.210 nan 0.000 0.458 217 I N 7.566 127.967 120.570 -0.282 0.000 2.336 217 I HA 0.440 4.610 4.170 -0.000 0.000 0.292 217 I C -0.228 175.492 176.117 -0.663 0.000 0.991 217 I CA -0.212 60.876 61.300 -0.354 0.000 1.227 217 I CB 0.826 38.687 38.000 -0.233 0.000 1.366 217 I HN 0.731 nan 8.210 nan 0.000 0.466 218 N N 2.688 121.064 118.700 -0.539 0.000 3.364 218 N HA 0.198 4.938 4.740 -0.000 0.000 0.294 218 N C -0.342 175.151 175.510 -0.029 0.000 1.562 218 N CA -0.759 51.907 53.050 -0.639 0.000 0.862 218 N CB 0.435 38.702 38.487 -0.367 0.000 1.691 218 N HN 0.231 nan 8.380 nan 0.000 0.572 219 D N -0.637 119.905 120.400 0.236 0.000 2.350 219 D HA -0.127 4.513 4.640 -0.000 0.000 0.216 219 D C 1.004 177.397 176.300 0.154 0.000 0.968 219 D CA 0.717 54.887 54.000 0.283 0.000 0.894 219 D CB 0.164 41.131 40.800 0.279 0.000 0.909 219 D HN 0.657 nan 8.370 nan 0.000 0.520 220 E N 1.339 121.591 120.200 0.088 0.000 2.216 220 E HA -0.013 4.337 4.350 -0.000 0.000 0.192 220 E C 0.958 177.603 176.600 0.074 0.000 0.988 220 E CA 1.086 57.523 56.400 0.061 0.000 0.834 220 E CB 0.430 30.144 29.700 0.023 0.000 0.772 220 E HN 0.205 nan 8.360 nan 0.000 0.479 221 G N 0.380 109.232 108.800 0.086 0.000 2.278 221 G HA2 0.042 4.002 3.960 -0.000 0.000 0.265 221 G HA3 0.042 4.002 3.960 -0.000 0.000 0.265 221 G C -1.233 173.649 174.900 -0.031 0.000 1.329 221 G CA -0.191 44.985 45.100 0.128 0.000 1.017 221 G HN 0.234 nan 8.290 nan 0.000 0.472 222 M N 0.462 119.956 119.600 -0.177 0.000 2.436 222 M HA 0.744 5.224 4.480 -0.000 0.000 0.331 222 M C -0.977 175.210 176.300 -0.187 0.000 1.135 222 M CA -0.812 54.294 55.300 -0.324 0.000 0.987 222 M CB 1.686 33.860 32.600 -0.710 0.000 1.687 222 M HN 0.374 nan 8.290 nan 0.000 0.445 223 K N 2.474 122.784 120.400 -0.149 0.000 2.345 223 K HA 0.387 4.707 4.320 -0.000 0.000 0.255 223 K C -1.435 175.117 176.600 -0.079 0.000 0.934 223 K CA -0.274 55.958 56.287 -0.092 0.000 0.801 223 K CB 2.188 34.646 32.500 -0.070 0.000 1.137 223 K HN 0.806 nan 8.250 nan 0.000 0.424 224 S N 2.806 118.473 115.700 -0.056 0.000 2.475 224 S HA 0.454 4.924 4.470 -0.000 0.000 0.298 224 S C -0.715 173.880 174.600 -0.008 0.000 1.119 224 S CA -0.440 57.740 58.200 -0.032 0.000 1.085 224 S CB 0.972 64.152 63.200 -0.033 0.000 1.028 224 S HN 0.530 nan 8.310 nan 0.000 0.489 225 E N 1.277 121.488 120.200 0.019 0.000 2.369 225 E HA 0.486 4.836 4.350 -0.000 0.000 0.270 225 E C -1.340 175.298 176.600 0.063 0.000 0.909 225 E CA -1.046 55.377 56.400 0.038 0.000 0.775 225 E CB 1.512 31.242 29.700 0.049 0.000 1.270 225 E HN 0.418 nan 8.360 nan 0.000 0.445 226 R N 1.375 121.901 120.500 0.043 0.000 2.310 226 R HA 0.258 4.598 4.340 -0.000 0.000 0.324 226 R C -0.353 175.970 176.300 0.038 0.000 0.955 226 R CA -0.388 55.707 56.100 -0.009 0.000 0.830 226 R CB 0.112 30.385 30.300 -0.045 0.000 1.154 226 R HN 0.607 nan 8.270 nan 0.000 0.458 227 F N 0.303 120.265 119.950 0.020 0.000 2.749 227 F HA 0.460 4.987 4.527 0.000 0.000 0.300 227 F C 0.123 175.941 175.800 0.031 0.000 1.103 227 F CA -0.552 57.461 58.000 0.022 0.000 1.342 227 F CB 0.549 39.569 39.000 0.032 0.000 1.098 227 F HN 0.301 nan 8.300 nan 0.000 0.586 228 S N 0.409 115.848 115.700 -0.436 0.000 2.592 228 S HA 0.488 4.958 4.470 -0.000 0.000 0.275 228 S C -0.469 173.965 174.600 -0.276 0.000 1.169 228 S CA -0.610 57.407 58.200 -0.305 0.000 0.958 228 S CB 1.008 63.969 63.200 -0.398 0.000 1.095 228 S HN 0.191 nan 8.310 nan 0.000 0.471 229 M N 3.472 122.989 119.600 -0.138 0.000 2.333 229 M HA 0.380 4.860 4.480 -0.000 0.000 0.257 229 M C 0.425 176.674 176.300 -0.086 0.000 1.078 229 M CA 0.180 55.416 55.300 -0.105 0.000 1.005 229 M CB -0.277 32.288 32.600 -0.059 0.000 1.444 229 M HN 0.595 nan 8.290 nan 0.000 0.496 230 N N 2.252 120.901 118.700 -0.086 0.000 2.955 230 N HA 0.456 5.196 4.740 -0.000 0.000 0.242 230 N C -1.013 174.451 175.510 -0.077 0.000 1.123 230 N CA -0.459 52.556 53.050 -0.059 0.000 0.949 230 N CB 0.457 38.925 38.487 -0.032 0.000 1.214 230 N HN 0.353 nan 8.380 nan 0.000 0.504 231 I N -0.488 120.030 120.570 -0.087 0.000 2.562 231 I HA 0.517 4.687 4.170 -0.000 0.000 0.301 231 I C -0.783 175.283 176.117 -0.086 0.000 1.003 231 I CA -0.909 60.330 61.300 -0.103 0.000 1.127 231 I CB 1.989 39.913 38.000 -0.125 0.000 1.304 231 I HN 0.346 nan 8.210 nan 0.000 0.446 232 N N 5.423 124.066 118.700 -0.095 0.000 2.648 232 N HA 0.258 4.998 4.740 -0.000 0.000 0.261 232 N C -0.882 174.556 175.510 -0.120 0.000 1.138 232 N CA -0.704 52.293 53.050 -0.089 0.000 0.804 232 N CB 1.168 39.616 38.487 -0.066 0.000 1.237 232 N HN 0.736 nan 8.380 nan 0.000 0.532 233 R N 1.997 122.405 120.500 -0.154 0.000 2.473 233 R HA -0.012 4.328 4.340 -0.000 0.000 0.315 233 R C -0.600 175.594 176.300 -0.177 0.000 0.972 233 R CA 0.660 56.636 56.100 -0.207 0.000 1.047 233 R CB 0.181 30.274 30.300 -0.345 0.000 0.932 233 R HN 0.601 nan 8.270 nan 0.000 0.411 234 S N 4.728 120.337 115.700 -0.151 0.000 2.386 234 S HA 0.183 4.653 4.470 -0.000 0.000 0.152 234 S C -0.176 174.368 174.600 -0.094 0.000 1.511 234 S CA -0.940 57.192 58.200 -0.113 0.000 1.246 234 S CB 0.224 63.358 63.200 -0.110 0.000 1.338 234 S HN 0.617 nan 8.310 nan 0.000 0.409 235 I N 2.210 122.751 120.570 -0.047 0.000 2.813 235 I HA 0.202 4.372 4.170 -0.000 0.000 0.287 235 I C 0.774 176.925 176.117 0.056 0.000 1.196 235 I CA -0.211 61.093 61.300 0.007 0.000 1.421 235 I CB 0.606 38.657 38.000 0.084 0.000 1.365 235 I HN 0.859 nan 8.210 nan 0.000 0.591 236 C N 6.764 126.092 119.300 0.047 0.000 2.648 236 C HA 0.047 4.507 4.460 -0.000 0.000 0.406 236 C C 1.902 177.005 174.990 0.189 0.000 1.406 236 C CA 0.272 59.341 59.018 0.084 0.000 1.610 236 C CB -0.921 26.845 27.740 0.043 0.000 2.451 236 C HN 0.972 nan 8.230 nan 0.000 0.608 237 S N 4.793 120.632 115.700 0.231 0.000 2.399 237 S HA -0.137 4.333 4.470 -0.000 0.000 0.231 237 S C 1.955 176.772 174.600 0.361 0.000 1.022 237 S CA 1.396 59.798 58.200 0.336 0.000 0.983 237 S CB -0.137 63.309 63.200 0.410 0.000 0.803 237 S HN 0.854 nan 8.310 nan 0.000 0.480 238 M N 1.191 120.969 119.600 0.297 0.000 2.374 238 M HA 0.016 4.496 4.480 -0.000 0.000 0.264 238 M C 1.821 178.294 176.300 0.288 0.000 1.067 238 M CA 0.897 56.380 55.300 0.305 0.000 1.103 238 M CB -1.145 31.590 32.600 0.227 0.000 1.402 238 M HN 0.226 nan 8.290 nan 0.000 0.444 239 E N -0.371 119.955 120.200 0.211 0.000 2.085 239 E HA -0.197 4.153 4.350 -0.000 0.000 0.194 239 E C 1.933 178.582 176.600 0.081 0.000 0.994 239 E CA 1.563 58.043 56.400 0.133 0.000 0.801 239 E CB -0.362 29.331 29.700 -0.012 0.000 0.743 239 E HN 0.556 nan 8.360 nan 0.000 0.453 240 Y N 0.081 120.455 120.300 0.124 0.000 2.314 240 Y HA 0.035 4.585 4.550 0.000 0.000 0.294 240 Y C 2.321 178.286 175.900 0.109 0.000 1.119 240 Y CA 0.516 58.672 58.100 0.093 0.000 1.179 240 Y CB -0.073 38.435 38.460 0.080 0.000 1.025 240 Y HN -0.040 nan 8.280 nan 0.000 0.541 241 I N -2.052 118.721 120.570 0.338 0.000 2.617 241 I HA -0.244 3.926 4.170 -0.000 0.000 0.256 241 I C 1.510 177.824 176.117 0.328 0.000 1.167 241 I CA 1.594 63.063 61.300 0.282 0.000 1.469 241 I CB 0.162 38.335 38.000 0.290 0.000 1.098 241 I HN 0.319 nan 8.210 nan 0.000 0.436 242 Y N -2.131 118.276 120.300 0.179 0.000 2.623 242 Y HA 0.029 4.579 4.550 -0.000 0.000 0.274 242 Y C 1.398 177.415 175.900 0.195 0.000 1.126 242 Y CA -0.521 57.679 58.100 0.166 0.000 1.061 242 Y CB -0.379 38.187 38.460 0.178 0.000 1.370 242 Y HN -0.069 nan 8.280 nan 0.000 0.537 243 F N 1.807 121.550 119.950 -0.344 0.000 2.293 243 F HA 0.286 4.813 4.527 -0.000 0.000 0.297 243 F C 1.115 176.789 175.800 -0.210 0.000 1.089 243 F CA 1.120 58.860 58.000 -0.433 0.000 1.377 243 F CB -0.180 38.731 39.000 -0.148 0.000 1.051 243 F HN -0.040 nan 8.300 nan 0.000 0.511 244 S N 0.616 116.233 115.700 -0.139 0.000 2.617 244 S HA 0.268 4.738 4.470 -0.000 0.000 0.269 244 S C 0.160 174.621 174.600 -0.232 0.000 1.292 244 S CA -0.722 57.385 58.200 -0.155 0.000 1.010 244 S CB 0.936 64.070 63.200 -0.111 0.000 0.944 244 S HN 0.101 nan 8.310 nan 0.000 0.536 245 R N 1.166 121.492 120.500 -0.291 0.000 2.543 245 R HA 0.120 4.460 4.340 -0.000 0.000 0.277 245 R C -1.836 174.342 176.300 -0.204 0.000 1.074 245 R CA -1.731 54.121 56.100 -0.414 0.000 1.076 245 R CB 0.186 30.173 30.300 -0.522 0.000 0.993 245 R HN 0.374 nan 8.270 nan 0.000 0.459 246 P HA -0.172 nan 4.420 nan 0.000 0.218 246 P C 0.114 177.400 177.300 -0.024 0.000 1.146 246 P CA 1.313 64.388 63.100 -0.042 0.000 0.813 246 P CB 0.157 31.847 31.700 -0.017 0.000 0.778 247 D N -2.448 117.911 120.400 -0.068 0.000 2.328 247 D HA 0.047 4.687 4.640 -0.000 0.000 0.221 247 D C 0.184 176.453 176.300 -0.051 0.000 1.072 247 D CA 0.189 54.161 54.000 -0.046 0.000 0.850 247 D CB -0.393 40.373 40.800 -0.057 0.000 0.922 247 D HN -0.016 nan 8.370 nan 0.000 0.516 248 S N 0.503 116.161 115.700 -0.070 0.000 2.632 248 S HA 0.374 4.844 4.470 -0.000 0.000 0.271 248 S C -0.111 174.446 174.600 -0.072 0.000 1.260 248 S CA -0.704 57.446 58.200 -0.084 0.000 1.010 248 S CB 0.826 63.963 63.200 -0.106 0.000 0.965 248 S HN 0.168 nan 8.310 nan 0.000 0.534 249 N N 2.004 120.649 118.700 -0.091 0.000 2.483 249 N HA 0.379 5.119 4.740 -0.000 0.000 0.267 249 N C -1.211 174.251 175.510 -0.079 0.000 0.998 249 N CA -0.266 52.739 53.050 -0.075 0.000 0.918 249 N CB 1.075 39.498 38.487 -0.105 0.000 1.215 249 N HN 0.435 nan 8.380 nan 0.000 0.500 250 I N 1.354 121.875 120.570 -0.082 0.000 2.301 250 I HA 0.088 4.258 4.170 -0.000 0.000 0.292 250 I C 0.433 176.620 176.117 0.118 0.000 1.046 250 I CA -0.088 61.148 61.300 -0.107 0.000 1.282 250 I CB 0.230 37.883 38.000 -0.579 0.000 1.409 250 I HN 0.421 nan 8.210 nan 0.000 0.484 251 D N 5.725 126.203 120.400 0.130 0.000 2.699 251 D HA -0.181 4.459 4.640 -0.000 0.000 0.239 251 D C 1.152 177.539 176.300 0.146 0.000 1.136 251 D CA 1.099 55.214 54.000 0.191 0.000 0.668 251 D CB -0.458 40.509 40.800 0.278 0.000 1.060 251 D HN 1.149 nan 8.370 nan 0.000 0.429 252 G N -0.232 108.607 108.800 0.064 0.000 2.175 252 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.265 252 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.265 252 G C 0.479 175.402 174.900 0.037 0.000 0.979 252 G CA 0.632 45.737 45.100 0.008 0.000 0.663 252 G HN 0.575 nan 8.290 nan 0.000 0.533 253 I N 1.053 121.686 120.570 0.105 0.000 2.331 253 I HA 0.197 4.367 4.170 -0.000 0.000 0.292 253 I C 0.668 176.862 176.117 0.128 0.000 0.998 253 I CA -0.731 60.646 61.300 0.128 0.000 1.267 253 I CB 1.289 39.411 38.000 0.204 0.000 1.386 253 I HN 0.185 nan 8.210 nan 0.000 0.476 254 N N 4.678 123.422 118.700 0.074 0.000 2.520 254 N HA 0.066 4.806 4.740 -0.000 0.000 0.273 254 N C 0.866 176.429 175.510 0.090 0.000 1.155 254 N CA -0.229 52.855 53.050 0.057 0.000 0.967 254 N CB 1.610 40.123 38.487 0.043 0.000 1.092 254 N HN 0.389 nan 8.380 nan 0.000 0.457 255 V N 3.349 123.306 119.914 0.072 0.000 2.237 255 V HA -0.250 3.870 4.120 -0.000 0.000 0.245 255 V C 2.140 178.273 176.094 0.065 0.000 1.046 255 V CA 2.101 64.454 62.300 0.088 0.000 1.007 255 V CB -1.112 30.718 31.823 0.013 0.000 0.638 255 V HN 0.821 nan 8.190 nan 0.000 0.445 256 H N 0.830 119.902 119.070 0.005 0.000 2.265 256 H HA -0.197 4.359 4.556 -0.000 0.000 0.293 256 H C 2.414 177.745 175.328 0.005 0.000 1.089 256 H CA 2.410 58.455 56.048 -0.005 0.000 1.244 256 H CB -0.511 29.237 29.762 -0.024 0.000 1.355 256 H HN 0.352 nan 8.280 nan 0.000 0.485 257 S N 0.048 115.585 115.700 -0.272 0.000 2.383 257 S HA -0.197 4.273 4.470 -0.000 0.000 0.229 257 S C 2.408 176.907 174.600 -0.169 0.000 1.030 257 S CA 1.062 59.111 58.200 -0.251 0.000 1.002 257 S CB -0.714 62.450 63.200 -0.061 0.000 0.829 257 S HN 0.709 nan 8.310 nan 0.000 0.467 258 A N 1.831 124.610 122.820 -0.068 0.000 1.877 258 A HA -0.097 4.223 4.320 -0.000 0.000 0.216 258 A C 2.145 179.692 177.584 -0.062 0.000 1.186 258 A CA 1.259 53.271 52.037 -0.042 0.000 0.620 258 A CB -0.461 18.570 19.000 0.053 0.000 0.822 258 A HN 0.424 nan 8.150 nan 0.000 0.443 259 R N -0.614 119.852 120.500 -0.056 0.000 2.120 259 R HA -0.098 4.242 4.340 -0.000 0.000 0.234 259 R C 2.282 178.523 176.300 -0.098 0.000 1.123 259 R CA 1.503 57.576 56.100 -0.044 0.000 0.975 259 R CB -0.216 30.079 30.300 -0.008 0.000 0.866 259 R HN 0.581 nan 8.270 nan 0.000 0.446 260 K N 0.475 120.748 120.400 -0.212 0.000 2.155 260 K HA -0.083 4.237 4.320 -0.000 0.000 0.203 260 K C 1.496 178.022 176.600 -0.123 0.000 1.052 260 K CA 1.122 57.288 56.287 -0.201 0.000 0.948 260 K CB 0.137 32.428 32.500 -0.348 0.000 0.728 260 K HN 0.027 nan 8.250 nan 0.000 0.448 261 N N 0.988 119.618 118.700 -0.116 0.000 2.188 261 N HA -0.088 4.652 4.740 -0.000 0.000 0.184 261 N C 1.659 177.129 175.510 -0.067 0.000 1.018 261 N CA 0.881 53.879 53.050 -0.086 0.000 0.858 261 N CB -0.099 38.337 38.487 -0.084 0.000 0.989 261 N HN 0.161 nan 8.380 nan 0.000 0.426 262 L N -0.286 120.903 121.223 -0.056 0.000 2.131 262 L HA -0.053 4.287 4.340 -0.000 0.000 0.210 262 L C 2.277 179.143 176.870 -0.007 0.000 1.092 262 L CA 1.169 55.989 54.840 -0.033 0.000 0.759 262 L CB -0.782 41.267 42.059 -0.018 0.000 0.903 262 L HN 0.220 nan 8.230 nan 0.000 0.435 263 G N -0.004 108.793 108.800 -0.004 0.000 2.408 263 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.217 263 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.217 263 G C 1.714 176.609 174.900 -0.007 0.000 1.150 263 G CA 0.384 45.510 45.100 0.044 0.000 0.776 263 G HN 0.294 nan 8.290 nan 0.000 0.542 264 K N -0.618 119.745 120.400 -0.061 0.000 2.217 264 K HA 0.090 4.410 4.320 -0.000 0.000 0.202 264 K C 2.573 179.109 176.600 -0.107 0.000 1.051 264 K CA 0.502 56.725 56.287 -0.107 0.000 0.952 264 K CB -0.119 32.326 32.500 -0.091 0.000 0.736 264 K HN 0.167 nan 8.250 nan 0.000 0.453 265 M N 0.543 120.101 119.600 -0.069 0.000 2.067 265 M HA -0.130 4.350 4.480 -0.000 0.000 0.260 265 M C 2.197 178.467 176.300 -0.051 0.000 1.069 265 M CA 1.266 56.531 55.300 -0.059 0.000 1.117 265 M CB -0.930 31.644 32.600 -0.044 0.000 1.334 265 M HN 0.109 nan 8.290 nan 0.000 0.407 266 L N 0.678 121.897 121.223 -0.007 0.000 2.129 266 L HA -0.138 4.202 4.340 -0.000 0.000 0.212 266 L C 2.434 179.297 176.870 -0.011 0.000 1.087 266 L CA 2.049 56.925 54.840 0.061 0.000 0.757 266 L CB -1.038 41.126 42.059 0.175 0.000 0.896 266 L HN 0.296 nan 8.230 nan 0.000 0.434 267 A N -0.725 121.925 122.820 -0.283 0.000 1.898 267 A HA -0.243 4.077 4.320 -0.000 0.000 0.216 267 A C 2.157 179.586 177.584 -0.259 0.000 1.181 267 A CA 1.520 53.203 52.037 -0.591 0.000 0.620 267 A CB -0.563 17.979 19.000 -0.763 0.000 0.819 267 A HN 0.726 nan 8.150 nan 0.000 0.442 268 Q N -0.632 119.071 119.800 -0.161 0.000 2.245 268 Q HA -0.062 4.278 4.340 -0.000 0.000 0.201 268 Q C 1.400 177.363 176.000 -0.061 0.000 0.955 268 Q CA 1.260 57.002 55.803 -0.102 0.000 0.870 268 Q CB -0.304 28.385 28.738 -0.081 0.000 0.945 268 Q HN 0.723 nan 8.270 nan 0.000 0.461 269 E N 1.357 121.532 120.200 -0.042 0.000 2.158 269 E HA -0.035 4.315 4.350 -0.000 0.000 0.191 269 E C 0.140 176.743 176.600 0.006 0.000 0.982 269 E CA 1.057 57.450 56.400 -0.011 0.000 0.823 269 E CB 0.368 30.071 29.700 0.006 0.000 0.766 269 E HN 0.423 nan 8.360 nan 0.000 0.468 270 S N 0.057 115.768 115.700 0.019 0.000 2.356 270 S HA 0.603 5.072 4.470 -0.000 0.000 0.171 270 S C -0.523 174.123 174.600 0.077 0.000 1.399 270 S CA -0.888 57.343 58.200 0.052 0.000 1.225 270 S CB 1.298 64.550 63.200 0.087 0.000 1.271 270 S HN 0.210 nan 8.310 nan 0.000 0.427 271 A N 2.045 124.874 122.820 0.015 0.000 2.301 271 A HA 0.887 5.207 4.320 -0.000 0.000 0.312 271 A C -0.179 177.421 177.584 0.027 0.000 1.182 271 A CA -0.828 51.219 52.037 0.015 0.000 0.826 271 A CB 1.383 20.346 19.000 -0.061 0.000 1.134 271 A HN 1.079 nan 8.150 nan 0.000 0.501 272 V N 1.561 121.505 119.914 0.050 0.000 3.113 272 V HA 0.531 4.651 4.120 -0.000 0.000 0.316 272 V C -0.356 175.700 176.094 -0.062 0.000 1.125 272 V CA -0.726 61.536 62.300 -0.063 0.000 1.026 272 V CB 1.997 33.713 31.823 -0.179 0.000 1.080 272 V HN 0.999 nan 8.190 nan 0.000 0.444 273 E N 2.298 122.434 120.200 -0.106 0.000 2.109 273 E HA 0.712 5.062 4.350 -0.000 0.000 0.278 273 E C -0.632 175.930 176.600 -0.063 0.000 0.954 273 E CA -0.065 56.302 56.400 -0.055 0.000 0.779 273 E CB 1.398 31.077 29.700 -0.034 0.000 1.093 273 E HN 0.970 nan 8.360 nan 0.000 0.401 274 A N 3.841 126.657 122.820 -0.007 0.000 2.529 274 A HA 0.356 4.676 4.320 -0.000 0.000 0.296 274 A C -0.469 177.142 177.584 0.045 0.000 1.205 274 A CA -0.582 51.476 52.037 0.036 0.000 0.671 274 A CB 1.284 20.320 19.000 0.060 0.000 1.301 274 A HN 0.690 nan 8.150 nan 0.000 0.450 275 D N -1.211 119.218 120.400 0.050 0.000 2.470 275 D HA 0.285 4.925 4.640 -0.000 0.000 0.238 275 D C -0.303 176.018 176.300 0.036 0.000 1.054 275 D CA 1.008 55.030 54.000 0.037 0.000 0.896 275 D CB 1.257 42.073 40.800 0.027 0.000 1.118 275 D HN 0.166 nan 8.370 nan 0.000 0.497 276 V N 1.365 121.301 119.914 0.036 0.000 2.841 276 V HA 0.309 4.429 4.120 -0.000 0.000 0.310 276 V C -0.679 175.437 176.094 0.037 0.000 1.090 276 V CA -0.749 61.566 62.300 0.025 0.000 0.930 276 V CB 3.101 34.922 31.823 -0.003 0.000 1.014 276 V HN -0.235 nan 8.190 nan 0.000 0.425 277 V N 3.192 123.145 119.914 0.064 0.000 2.513 277 V HA 0.730 4.850 4.120 -0.000 0.000 0.299 277 V C -0.041 176.107 176.094 0.090 0.000 1.035 277 V CA -0.299 62.057 62.300 0.093 0.000 0.889 277 V CB 1.988 33.933 31.823 0.202 0.000 0.988 277 V HN 0.920 nan 8.190 nan 0.000 0.440 278 T N 2.917 117.510 114.554 0.064 0.000 2.916 278 T HA 0.691 5.041 4.350 -0.000 0.000 0.298 278 T C 0.117 174.883 174.700 0.111 0.000 1.031 278 T CA 0.168 62.304 62.100 0.060 0.000 0.993 278 T CB 1.478 70.331 68.868 -0.025 0.000 1.045 278 T HN 0.968 nan 8.240 nan 0.000 0.454 279 G N 1.588 110.510 108.800 0.204 0.000 2.532 279 G HA2 0.610 4.570 3.960 -0.000 0.000 0.291 279 G HA3 0.610 4.570 3.960 -0.000 0.000 0.291 279 G C -0.855 174.088 174.900 0.072 0.000 1.349 279 G CA -0.480 44.698 45.100 0.130 0.000 1.038 279 G HN 0.755 nan 8.290 nan 0.000 0.518 280 V N 1.005 120.952 119.914 0.056 0.000 2.459 280 V HA 0.292 4.412 4.120 -0.000 0.000 0.295 280 V C -2.146 173.977 176.094 0.048 0.000 1.029 280 V CA -1.394 60.927 62.300 0.036 0.000 0.874 280 V CB 2.126 33.962 31.823 0.021 0.000 0.985 280 V HN 0.468 nan 8.190 nan 0.000 0.438 281 P HA 0.091 nan 4.420 nan 0.000 0.254 281 P C -0.089 177.226 177.300 0.026 0.000 1.186 281 P CA 1.079 64.193 63.100 0.024 0.000 0.868 281 P CB 0.173 31.874 31.700 0.003 0.000 0.856 282 D N 0.712 121.132 120.400 0.033 0.000 2.423 282 D HA -0.188 4.452 4.640 -0.000 0.000 0.213 282 D C 1.529 177.868 176.300 0.065 0.000 1.310 282 D CA 2.231 56.249 54.000 0.029 0.000 1.752 282 D CB -1.745 39.057 40.800 0.003 0.000 1.390 282 D HN 0.435 nan 8.370 nan 0.000 0.591 283 S N -0.086 115.685 115.700 0.117 0.000 2.402 283 S HA -0.053 4.417 4.470 -0.000 0.000 0.229 283 S C 1.270 175.965 174.600 0.159 0.000 1.021 283 S CA 1.682 60.004 58.200 0.202 0.000 0.974 283 S CB -0.047 63.322 63.200 0.282 0.000 0.800 283 S HN 0.615 nan 8.310 nan 0.000 0.484 284 S N 0.023 115.787 115.700 0.106 0.000 2.668 284 S HA 0.478 4.948 4.470 -0.000 0.000 0.244 284 S C 0.713 175.359 174.600 0.076 0.000 1.140 284 S CA -0.734 57.517 58.200 0.087 0.000 1.134 284 S CB -0.012 63.227 63.200 0.064 0.000 0.954 284 S HN 0.257 nan 8.310 nan 0.000 0.490 285 I N 1.963 122.580 120.570 0.079 0.000 2.206 285 I HA -0.047 4.123 4.170 -0.000 0.000 0.239 285 I C 2.501 178.630 176.117 0.020 0.000 1.078 285 I CA 1.001 62.347 61.300 0.078 0.000 1.367 285 I CB -1.771 36.280 38.000 0.084 0.000 1.078 285 I HN 0.374 nan 8.210 nan 0.000 0.413 286 S N 1.572 117.313 115.700 0.068 0.000 2.370 286 S HA -0.179 4.291 4.470 -0.000 0.000 0.226 286 S C 2.224 176.802 174.600 -0.038 0.000 1.033 286 S CA 1.444 59.687 58.200 0.072 0.000 1.011 286 S CB -0.524 62.737 63.200 0.101 0.000 0.852 286 S HN 0.540 nan 8.310 nan 0.000 0.457 287 A N 1.785 124.598 122.820 -0.012 0.000 1.873 287 A HA 0.183 4.503 4.320 -0.000 0.000 0.215 287 A C 2.428 180.019 177.584 0.011 0.000 1.186 287 A CA 1.633 53.670 52.037 -0.000 0.000 0.616 287 A CB -1.245 17.773 19.000 0.031 0.000 0.823 287 A HN 0.528 nan 8.150 nan 0.000 0.442 288 A N 0.223 123.041 122.820 -0.003 0.000 1.892 288 A HA -0.167 4.153 4.320 -0.000 0.000 0.218 288 A C 2.115 179.609 177.584 -0.150 0.000 1.188 288 A CA 1.723 53.761 52.037 0.002 0.000 0.631 288 A CB -0.735 18.318 19.000 0.088 0.000 0.822 288 A HN 0.529 nan 8.150 nan 0.000 0.447 289 I N -0.401 119.938 120.570 -0.385 0.000 2.226 289 I HA -0.218 3.952 4.170 -0.000 0.000 0.245 289 I C 2.701 178.718 176.117 -0.167 0.000 1.100 289 I CA 1.177 62.191 61.300 -0.477 0.000 1.374 289 I CB -0.748 37.036 38.000 -0.360 0.000 1.057 289 I HN 0.401 nan 8.210 nan 0.000 0.413 290 G N -0.141 108.606 108.800 -0.088 0.000 2.421 290 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.216 290 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.216 290 G C 1.656 176.550 174.900 -0.010 0.000 1.171 290 G CA 0.598 45.667 45.100 -0.052 0.000 0.775 290 G HN 0.328 nan 8.290 nan 0.000 0.543 291 Y N 1.956 122.218 120.300 -0.063 0.000 2.224 291 Y HA 0.056 4.606 4.550 -0.000 0.000 0.289 291 Y C 2.907 178.796 175.900 -0.019 0.000 1.146 291 Y CA 1.149 59.228 58.100 -0.034 0.000 1.182 291 Y CB -0.278 38.171 38.460 -0.018 0.000 0.983 291 Y HN 0.251 nan 8.280 nan 0.000 0.524 292 A N -0.131 122.818 122.820 0.215 0.000 1.873 292 A HA -0.185 4.135 4.320 -0.000 0.000 0.215 292 A C 2.177 179.798 177.584 0.063 0.000 1.186 292 A CA 1.707 53.850 52.037 0.176 0.000 0.616 292 A CB -0.836 18.279 19.000 0.192 0.000 0.823 292 A HN 0.550 nan 8.150 nan 0.000 0.442 293 E N -0.384 119.823 120.200 0.012 0.000 2.097 293 E HA -0.195 4.155 4.350 -0.000 0.000 0.196 293 E C 2.277 178.852 176.600 -0.042 0.000 1.000 293 E CA 1.087 57.478 56.400 -0.014 0.000 0.804 293 E CB -0.240 29.442 29.700 -0.030 0.000 0.740 293 E HN 0.592 nan 8.360 nan 0.000 0.454 294 A N -0.037 122.732 122.820 -0.085 0.000 1.877 294 A HA -0.182 4.138 4.320 -0.000 0.000 0.216 294 A C 2.374 179.876 177.584 -0.138 0.000 1.186 294 A CA 2.035 53.991 52.037 -0.135 0.000 0.620 294 A CB -0.829 18.037 19.000 -0.225 0.000 0.822 294 A HN 0.235 nan 8.150 nan 0.000 0.443 295 T N -1.682 112.780 114.554 -0.152 0.000 2.985 295 T HA 0.288 4.638 4.350 -0.000 0.000 0.266 295 T C 1.388 176.072 174.700 -0.025 0.000 1.076 295 T CA 1.660 63.697 62.100 -0.105 0.000 1.135 295 T CB -0.251 68.539 68.868 -0.131 0.000 0.890 295 T HN 1.511 nan 8.240 nan 0.000 0.480 296 G N 1.002 109.802 108.800 0.000 0.000 2.159 296 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.256 296 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.256 296 G C 0.174 175.098 174.900 0.041 0.000 0.977 296 G CA 0.068 45.177 45.100 0.016 0.000 0.652 296 G HN 0.556 nan 8.290 nan 0.000 0.531 297 I N 2.676 123.288 120.570 0.070 0.000 2.440 297 I HA 0.339 4.509 4.170 -0.000 0.000 0.294 297 I C -1.551 174.628 176.117 0.103 0.000 0.995 297 I CA -2.454 58.897 61.300 0.086 0.000 1.306 297 I CB 1.561 39.632 38.000 0.118 0.000 1.407 297 I HN -0.087 nan 8.210 nan 0.000 0.501 298 P HA -0.001 nan 4.420 nan 0.000 0.276 298 P C -1.230 176.147 177.300 0.129 0.000 1.230 298 P CA -0.108 63.050 63.100 0.097 0.000 0.776 298 P CB 0.516 32.247 31.700 0.052 0.000 0.888 299 Y N 3.678 123.998 120.300 0.033 0.000 2.359 299 Y HA 0.236 4.786 4.550 -0.000 0.000 0.334 299 Y C 0.042 175.953 175.900 0.019 0.000 1.058 299 Y CA 0.146 58.264 58.100 0.031 0.000 1.244 299 Y CB 0.492 38.974 38.460 0.037 0.000 1.187 299 Y HN 0.318 nan 8.280 nan 0.000 0.510 300 E N 4.783 124.603 120.200 -0.632 0.000 2.359 300 E HA 0.305 4.655 4.350 -0.000 0.000 0.266 300 E C -1.513 174.720 176.600 -0.612 0.000 0.920 300 E CA -1.090 55.008 56.400 -0.504 0.000 0.788 300 E CB 2.146 31.713 29.700 -0.222 0.000 1.279 300 E HN 0.599 nan 8.360 nan 0.000 0.438 301 L N 1.523 122.529 121.223 -0.361 0.000 2.397 301 L HA 0.317 4.657 4.340 -0.000 0.000 0.263 301 L C 1.127 177.911 176.870 -0.143 0.000 1.136 301 L CA 0.335 55.035 54.840 -0.235 0.000 1.019 301 L CB 0.296 42.262 42.059 -0.154 0.000 1.352 301 L HN 0.759 nan 8.230 nan 0.000 0.420 302 G N 3.190 111.916 108.800 -0.123 0.000 3.088 302 G HA2 0.267 4.227 3.960 -0.000 0.000 0.217 302 G HA3 0.267 4.227 3.960 -0.000 0.000 0.217 302 G C 0.304 175.173 174.900 -0.052 0.000 1.159 302 G CA 0.044 45.097 45.100 -0.077 0.000 0.760 302 G HN 0.349 nan 8.290 nan 0.000 0.550 303 L N 0.712 121.908 121.223 -0.044 0.000 2.409 303 L HA 0.571 4.911 4.340 -0.000 0.000 0.262 303 L C -1.116 175.738 176.870 -0.026 0.000 0.992 303 L CA -0.998 53.825 54.840 -0.028 0.000 0.817 303 L CB 2.723 44.770 42.059 -0.019 0.000 1.350 303 L HN -0.154 nan 8.230 nan 0.000 0.411 304 I N 1.968 122.525 120.570 -0.022 0.000 2.689 304 I HA 0.430 4.600 4.170 -0.000 0.000 0.299 304 I C -0.510 175.592 176.117 -0.024 0.000 1.059 304 I CA -0.681 60.606 61.300 -0.022 0.000 1.055 304 I CB 2.190 40.178 38.000 -0.020 0.000 1.243 304 I HN 0.546 nan 8.210 nan 0.000 0.425 305 K N 3.951 124.332 120.400 -0.032 0.000 2.292 305 K HA 0.313 4.633 4.320 -0.000 0.000 0.257 305 K C -0.487 176.075 176.600 -0.063 0.000 0.940 305 K CA -0.574 55.687 56.287 -0.045 0.000 0.811 305 K CB 1.444 33.918 32.500 -0.043 0.000 1.120 305 K HN 0.531 nan 8.250 nan 0.000 0.428 306 N N 3.269 121.922 118.700 -0.079 0.000 2.470 306 N HA 0.075 4.815 4.740 -0.000 0.000 0.268 306 N C 0.281 175.702 175.510 -0.149 0.000 1.136 306 N CA 0.190 53.191 53.050 -0.083 0.000 0.961 306 N CB 0.848 39.270 38.487 -0.108 0.000 1.067 306 N HN 0.628 nan 8.380 nan 0.000 0.468 307 R N 2.884 123.244 120.500 -0.232 0.000 2.276 307 R HA -0.054 4.286 4.340 -0.000 0.000 0.203 307 R C 0.127 176.088 176.300 -0.564 0.000 1.017 307 R CA 0.955 56.771 56.100 -0.474 0.000 1.010 307 R CB 0.135 29.958 30.300 -0.796 0.000 0.900 307 R HN 0.619 nan 8.270 nan 0.000 0.469 308 Y N 0.007 120.238 120.300 -0.116 0.000 2.696 308 Y HA 0.157 4.707 4.550 -0.000 0.000 0.260 308 Y C 0.437 176.227 175.900 -0.182 0.000 1.165 308 Y CA -0.928 57.109 58.100 -0.104 0.000 1.189 308 Y CB 0.551 38.971 38.460 -0.067 0.000 1.180 308 Y HN -0.206 nan 8.280 nan 0.000 0.538 309 V N -1.208 118.594 119.914 -0.187 0.000 2.686 309 V HA 1.018 5.138 4.120 -0.000 0.000 0.295 309 V C 0.410 176.461 176.094 -0.073 0.000 1.057 309 V CA -0.078 62.023 62.300 -0.331 0.000 1.012 309 V CB 1.059 32.615 31.823 -0.445 0.000 1.006 309 V HN 0.273 nan 8.190 nan 0.000 0.477 310 G N 3.588 112.421 108.800 0.055 0.000 2.428 310 G HA2 0.342 4.302 3.960 -0.000 0.000 0.304 310 G HA3 0.342 4.302 3.960 -0.000 0.000 0.304 310 G C 0.102 175.081 174.900 0.132 0.000 1.303 310 G CA -0.349 44.798 45.100 0.079 0.000 0.825 310 G HN 0.958 nan 8.290 nan 0.000 0.484 311 R N -1.385 119.170 120.500 0.093 0.000 2.152 311 R HA -0.008 4.332 4.340 -0.000 0.000 0.232 311 R C 1.314 177.673 176.300 0.097 0.000 1.117 311 R CA 2.097 58.248 56.100 0.085 0.000 0.981 311 R CB -0.704 29.628 30.300 0.053 0.000 0.870 311 R HN 0.294 nan 8.270 nan 0.000 0.451 312 T N 0.137 114.760 114.554 0.114 0.000 3.219 312 T HA 0.081 4.431 4.350 -0.000 0.000 0.249 312 T C -0.350 174.438 174.700 0.147 0.000 1.099 312 T CA -0.152 62.010 62.100 0.103 0.000 0.988 312 T CB -0.235 68.688 68.868 0.091 0.000 0.999 312 T HN 0.155 nan 8.240 nan 0.000 0.550 313 F N 2.596 122.563 119.950 0.028 0.000 2.411 313 F HA 0.481 5.008 4.527 -0.000 0.000 0.355 313 F C -0.040 175.773 175.800 0.021 0.000 1.117 313 F CA -2.467 55.550 58.000 0.029 0.000 1.139 313 F CB 0.221 39.244 39.000 0.038 0.000 1.120 313 F HN 0.001 nan 8.300 nan 0.000 0.493 314 I N 6.664 126.864 120.570 -0.617 0.000 2.598 314 I HA 0.008 4.178 4.170 -0.000 0.000 0.284 314 I C 0.115 175.818 176.117 -0.690 0.000 1.140 314 I CA -0.192 60.815 61.300 -0.489 0.000 1.420 314 I CB 0.275 38.060 38.000 -0.359 0.000 1.387 314 I HN 0.426 nan 8.210 nan 0.000 0.553 315 Q N 8.119 127.729 119.800 -0.316 0.000 2.288 315 Q HA 0.307 4.647 4.340 -0.000 0.000 0.254 315 Q C -1.988 173.923 176.000 -0.148 0.000 0.932 315 Q CA -1.860 53.836 55.803 -0.177 0.000 0.902 315 Q CB 0.199 28.916 28.738 -0.034 0.000 1.203 315 Q HN 0.386 nan 8.270 nan 0.000 0.415 316 P HA -0.077 nan 4.420 nan 0.000 0.266 316 P C -0.165 177.118 177.300 -0.029 0.000 1.186 316 P CA 0.178 63.253 63.100 -0.042 0.000 0.767 316 P CB 0.407 32.112 31.700 0.008 0.000 0.820 317 S N 1.429 117.113 115.700 -0.026 0.000 2.608 317 S HA -0.012 4.458 4.470 -0.000 0.000 0.261 317 S C 1.571 176.168 174.600 -0.006 0.000 1.314 317 S CA -0.475 57.714 58.200 -0.017 0.000 0.992 317 S CB 0.501 63.691 63.200 -0.017 0.000 0.935 317 S HN 0.593 nan 8.310 nan 0.000 0.564 318 Q N 1.321 121.119 119.800 -0.003 0.000 2.152 318 Q HA -0.172 4.168 4.340 -0.000 0.000 0.206 318 Q C 2.080 178.080 176.000 0.001 0.000 0.985 318 Q CA 2.184 57.987 55.803 0.001 0.000 0.863 318 Q CB -1.668 27.070 28.738 0.001 0.000 0.904 318 Q HN 0.872 nan 8.270 nan 0.000 0.422 319 A N 1.369 124.188 122.820 -0.001 0.000 1.845 319 A HA -0.127 4.193 4.320 -0.000 0.000 0.215 319 A C 2.245 179.829 177.584 0.000 0.000 1.195 319 A CA 1.664 53.701 52.037 -0.001 0.000 0.616 319 A CB -0.754 18.244 19.000 -0.004 0.000 0.832 319 A HN 0.319 nan 8.150 nan 0.000 0.443 320 L N -0.628 120.594 121.223 -0.001 0.000 2.083 320 L HA -0.074 4.266 4.340 -0.000 0.000 0.209 320 L C 2.495 179.370 176.870 0.008 0.000 1.083 320 L CA 1.945 56.786 54.840 0.002 0.000 0.752 320 L CB -1.021 41.036 42.059 -0.004 0.000 0.899 320 L HN 0.425 nan 8.230 nan 0.000 0.433 321 R N 0.039 120.544 120.500 0.009 0.000 2.083 321 R HA -0.167 4.173 4.340 -0.000 0.000 0.237 321 R C 2.182 178.488 176.300 0.011 0.000 1.137 321 R CA 1.713 57.822 56.100 0.015 0.000 0.951 321 R CB -0.169 30.139 30.300 0.015 0.000 0.851 321 R HN 0.592 nan 8.270 nan 0.000 0.434 322 E N -0.107 120.097 120.200 0.007 0.000 2.358 322 E HA -0.187 4.163 4.350 -0.000 0.000 0.195 322 E C 1.505 178.108 176.600 0.005 0.000 1.010 322 E CA 0.705 57.108 56.400 0.005 0.000 0.856 322 E CB -0.107 29.596 29.700 0.003 0.000 0.795 322 E HN 0.503 nan 8.360 nan 0.000 0.504 323 Q N 0.468 120.271 119.800 0.005 0.000 2.226 323 Q HA -0.041 4.299 4.340 -0.000 0.000 0.204 323 Q C 0.945 176.949 176.000 0.007 0.000 0.975 323 Q CA 1.250 57.056 55.803 0.005 0.000 0.866 323 Q CB 0.108 28.849 28.738 0.005 0.000 0.915 323 Q HN 0.615 nan 8.270 nan 0.000 0.440 324 G N -0.401 108.405 108.800 0.010 0.000 2.200 324 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.145 324 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.145 324 G C -0.170 174.742 174.900 0.019 0.000 1.021 324 G CA -0.373 44.734 45.100 0.012 0.000 0.720 324 G HN 0.116 nan 8.290 nan 0.000 0.494 325 V N 3.153 123.081 119.914 0.024 0.000 2.521 325 V HA 0.415 4.535 4.120 -0.000 0.000 0.286 325 V C 0.861 176.984 176.094 0.049 0.000 1.034 325 V CA -0.329 61.994 62.300 0.039 0.000 1.045 325 V CB 0.825 32.672 31.823 0.041 0.000 0.974 325 V HN 0.340 nan 8.190 nan 0.000 0.480 326 R N 4.585 125.119 120.500 0.056 0.000 2.532 326 R HA 0.583 4.923 4.340 -0.000 0.000 0.272 326 R C 0.257 176.615 176.300 0.098 0.000 1.032 326 R CA -0.483 55.651 56.100 0.057 0.000 1.089 326 R CB 1.084 31.407 30.300 0.038 0.000 1.098 326 R HN 0.631 nan 8.270 nan 0.000 0.526 327 M N 0.565 120.220 119.600 0.091 0.000 2.547 327 M HA 0.184 4.664 4.480 -0.000 0.000 0.151 327 M C 1.875 178.185 176.300 0.017 0.000 1.481 327 M CA 0.324 55.707 55.300 0.138 0.000 1.387 327 M CB -0.171 32.522 32.600 0.154 0.000 0.782 327 M HN 0.419 nan 8.290 nan 0.000 0.480 328 K N 0.024 120.416 120.400 -0.012 0.000 2.262 328 K HA 0.138 4.458 4.320 -0.000 0.000 0.200 328 K C -0.476 176.097 176.600 -0.045 0.000 1.049 328 K CA 0.561 56.807 56.287 -0.068 0.000 0.979 328 K CB 0.514 32.984 32.500 -0.051 0.000 0.773 328 K HN 0.102 nan 8.250 nan 0.000 0.474 329 L N 0.351 121.563 121.223 -0.018 0.000 2.401 329 L HA 0.311 4.651 4.340 -0.000 0.000 0.266 329 L C -1.257 175.608 176.870 -0.007 0.000 0.991 329 L CA -0.300 54.531 54.840 -0.014 0.000 0.818 329 L CB 2.230 44.283 42.059 -0.010 0.000 1.321 329 L HN 0.103 nan 8.230 nan 0.000 0.413 330 S N 1.918 117.612 115.700 -0.010 0.000 2.556 330 S HA 0.939 5.409 4.470 -0.000 0.000 0.271 330 S C -0.834 173.758 174.600 -0.013 0.000 1.135 330 S CA -0.615 57.581 58.200 -0.007 0.000 0.858 330 S CB 1.566 64.765 63.200 -0.001 0.000 1.114 330 S HN 0.853 nan 8.310 nan 0.000 0.468 331 A N 1.129 123.941 122.820 -0.015 0.000 2.327 331 A HA 0.672 4.992 4.320 -0.000 0.000 0.283 331 A C 0.289 177.860 177.584 -0.021 0.000 1.127 331 A CA -0.515 51.510 52.037 -0.021 0.000 0.810 331 A CB 0.380 19.367 19.000 -0.022 0.000 1.066 331 A HN 1.905 nan 8.150 nan 0.000 0.492 332 V N 3.401 123.298 119.914 -0.028 0.000 2.320 332 V HA 0.360 4.480 4.120 -0.000 0.000 0.265 332 V C 1.192 177.270 176.094 -0.027 0.000 1.048 332 V CA -0.194 62.090 62.300 -0.026 0.000 0.865 332 V CB 0.415 32.219 31.823 -0.033 0.000 1.043 332 V HN 1.071 nan 8.190 nan 0.000 0.474 333 R N 4.586 125.074 120.500 -0.020 0.000 2.139 333 R HA -0.081 4.259 4.340 -0.000 0.000 0.243 333 R C 1.749 178.038 176.300 -0.019 0.000 1.145 333 R CA 2.280 58.370 56.100 -0.018 0.000 0.976 333 R CB -0.598 29.694 30.300 -0.014 0.000 0.866 333 R HN 0.832 nan 8.270 nan 0.000 0.449 334 G N -0.539 108.250 108.800 -0.020 0.000 2.598 334 G HA2 -0.067 3.893 3.960 -0.000 0.000 0.215 334 G HA3 -0.067 3.893 3.960 -0.000 0.000 0.215 334 G C 1.092 175.977 174.900 -0.024 0.000 1.131 334 G CA 0.549 45.638 45.100 -0.019 0.000 0.785 334 G HN 0.255 nan 8.290 nan 0.000 0.539 335 V N 0.089 119.985 119.914 -0.031 0.000 2.806 335 V HA -0.025 4.095 4.120 -0.000 0.000 0.239 335 V C 2.764 178.839 176.094 -0.032 0.000 1.113 335 V CA 1.194 63.471 62.300 -0.038 0.000 1.137 335 V CB 0.685 32.474 31.823 -0.056 0.000 0.865 335 V HN 0.278 nan 8.190 nan 0.000 0.482 336 V N -1.237 118.659 119.914 -0.030 0.000 3.129 336 V HA 0.116 4.236 4.120 -0.000 0.000 0.259 336 V C 1.053 177.135 176.094 -0.019 0.000 1.116 336 V CA 0.640 62.925 62.300 -0.025 0.000 1.127 336 V CB -0.627 31.179 31.823 -0.029 0.000 0.742 336 V HN 0.556 nan 8.190 nan 0.000 0.474 337 E N 1.616 121.806 120.200 -0.017 0.000 2.498 337 E HA 0.333 4.683 4.350 -0.000 0.000 0.252 337 E C 1.269 177.863 176.600 -0.010 0.000 1.025 337 E CA 0.734 57.126 56.400 -0.014 0.000 0.938 337 E CB -0.337 29.355 29.700 -0.012 0.000 0.947 337 E HN 0.821 nan 8.360 nan 0.000 0.478 338 G N 3.622 112.417 108.800 -0.009 0.000 2.176 338 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.252 338 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.252 338 G C 0.036 174.935 174.900 -0.002 0.000 1.024 338 G CA 0.628 45.725 45.100 -0.006 0.000 0.755 338 G HN 0.459 nan 8.290 nan 0.000 0.507 339 K N -0.405 119.993 120.400 -0.003 0.000 2.221 339 K HA 0.727 5.047 4.320 -0.000 0.000 0.243 339 K C 0.438 177.044 176.600 0.010 0.000 0.968 339 K CA -0.974 55.315 56.287 0.004 0.000 0.846 339 K CB 0.788 33.287 32.500 -0.002 0.000 1.141 339 K HN 0.207 nan 8.250 nan 0.000 0.434 340 R N 1.470 121.988 120.500 0.030 0.000 2.198 340 R HA 0.347 4.687 4.340 -0.000 0.000 0.339 340 R C -0.792 175.550 176.300 0.070 0.000 1.020 340 R CA -0.698 55.439 56.100 0.062 0.000 0.864 340 R CB 0.885 31.249 30.300 0.106 0.000 1.105 340 R HN 0.207 nan 8.270 nan 0.000 0.463 341 V N 4.420 124.360 119.914 0.043 0.000 2.509 341 V HA 0.226 4.346 4.120 -0.000 0.000 0.284 341 V C 0.253 176.381 176.094 0.057 0.000 1.047 341 V CA -0.704 61.611 62.300 0.026 0.000 0.952 341 V CB 1.538 33.348 31.823 -0.021 0.000 0.988 341 V HN 0.515 nan 8.190 nan 0.000 0.469 342 V N 5.344 125.268 119.914 0.017 0.000 2.435 342 V HA 0.673 4.793 4.120 -0.000 0.000 0.290 342 V C -0.456 175.576 176.094 -0.105 0.000 1.030 342 V CA -0.581 61.688 62.300 -0.053 0.000 0.881 342 V CB 1.586 33.290 31.823 -0.199 0.000 0.983 342 V HN 0.893 nan 8.190 nan 0.000 0.445 343 M N 6.577 126.108 119.600 -0.115 0.000 2.181 343 M HA 0.564 5.044 4.480 -0.000 0.000 0.323 343 M C -1.662 174.556 176.300 -0.136 0.000 1.004 343 M CA -0.414 54.827 55.300 -0.097 0.000 0.941 343 M CB 1.594 34.148 32.600 -0.077 0.000 1.579 343 M HN 0.662 nan 8.290 nan 0.000 0.427 344 V N 4.939 124.784 119.914 -0.115 0.000 2.394 344 V HA 0.424 4.544 4.120 -0.000 0.000 0.282 344 V C -0.339 175.723 176.094 -0.054 0.000 1.031 344 V CA -0.536 61.694 62.300 -0.115 0.000 0.881 344 V CB 1.594 33.358 31.823 -0.097 0.000 0.982 344 V HN 0.757 nan 8.190 nan 0.000 0.451 345 D N 1.993 122.357 120.400 -0.059 0.000 2.477 345 D HA 0.280 4.920 4.640 -0.000 0.000 0.234 345 D C 0.644 176.943 176.300 -0.002 0.000 1.048 345 D CA -0.491 53.494 54.000 -0.025 0.000 0.959 345 D CB 2.344 43.116 40.800 -0.046 0.000 1.408 345 D HN 0.621 nan 8.370 nan 0.000 0.496 346 D N -0.154 120.268 120.400 0.036 0.000 2.123 346 D HA -0.072 4.568 4.640 -0.000 0.000 0.200 346 D C 0.118 176.457 176.300 0.065 0.000 0.976 346 D CA 0.501 54.545 54.000 0.075 0.000 0.831 346 D CB 0.053 40.945 40.800 0.154 0.000 0.974 346 D HN 0.256 nan 8.370 nan 0.000 0.469 347 S N -0.913 114.800 115.700 0.023 0.000 2.565 347 S HA 0.591 5.061 4.470 -0.000 0.000 0.269 347 S C -0.955 173.661 174.600 0.027 0.000 1.153 347 S CA -1.073 57.166 58.200 0.064 0.000 0.835 347 S CB 1.523 64.765 63.200 0.069 0.000 1.122 347 S HN 0.157 nan 8.310 nan 0.000 0.462 348 I N 2.418 123.056 120.570 0.113 0.000 2.362 348 I HA 0.412 4.582 4.170 -0.000 0.000 0.289 348 I C 0.088 176.241 176.117 0.061 0.000 0.994 348 I CA -0.674 60.672 61.300 0.077 0.000 1.158 348 I CB 1.789 39.879 38.000 0.151 0.000 1.315 348 I HN 0.590 nan 8.210 nan 0.000 0.451 349 V N 5.920 125.824 119.914 -0.016 0.000 2.988 349 V HA 0.083 4.203 4.120 -0.000 0.000 0.223 349 V C 1.921 177.977 176.094 -0.062 0.000 1.144 349 V CA 0.519 62.791 62.300 -0.046 0.000 1.242 349 V CB -0.260 31.512 31.823 -0.085 0.000 1.073 349 V HN 0.709 nan 8.190 nan 0.000 0.508 350 R N 0.397 120.850 120.500 -0.080 0.000 2.153 350 R HA 0.237 4.577 4.340 -0.000 0.000 0.218 350 R C 1.707 177.957 176.300 -0.083 0.000 1.072 350 R CA 1.067 57.114 56.100 -0.088 0.000 0.990 350 R CB -0.090 30.153 30.300 -0.095 0.000 0.889 350 R HN 0.712 nan 8.270 nan 0.000 0.452 351 G N -0.384 108.376 108.800 -0.066 0.000 2.284 351 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.216 351 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.216 351 G C 1.086 175.952 174.900 -0.056 0.000 1.009 351 G CA 0.368 45.428 45.100 -0.067 0.000 0.625 351 G HN 0.278 nan 8.290 nan 0.000 0.501 352 T N 1.403 115.926 114.554 -0.052 0.000 2.607 352 T HA -0.148 4.202 4.350 -0.000 0.000 0.267 352 T C 2.422 177.102 174.700 -0.033 0.000 1.049 352 T CA 2.634 64.710 62.100 -0.040 0.000 1.162 352 T CB -0.839 68.007 68.868 -0.037 0.000 0.863 352 T HN 0.463 nan 8.240 nan 0.000 0.424 353 T N 2.150 116.683 114.554 -0.034 0.000 2.759 353 T HA -0.109 4.241 4.350 -0.000 0.000 0.269 353 T C 2.426 177.106 174.700 -0.034 0.000 1.042 353 T CA 1.544 63.627 62.100 -0.030 0.000 1.140 353 T CB -0.441 68.408 68.868 -0.031 0.000 0.864 353 T HN 0.403 nan 8.240 nan 0.000 0.455 354 S N 0.971 116.645 115.700 -0.043 0.000 2.383 354 S HA -0.042 4.428 4.470 -0.000 0.000 0.227 354 S C 2.003 176.574 174.600 -0.047 0.000 1.026 354 S CA 0.770 58.939 58.200 -0.051 0.000 0.981 354 S CB -0.201 62.962 63.200 -0.061 0.000 0.818 354 S HN 0.446 nan 8.310 nan 0.000 0.472 355 R N 1.408 121.883 120.500 -0.041 0.000 2.066 355 R HA 0.024 4.364 4.340 -0.000 0.000 0.232 355 R C 2.511 178.793 176.300 -0.030 0.000 1.131 355 R CA 1.120 57.199 56.100 -0.036 0.000 0.955 355 R CB -0.117 30.163 30.300 -0.032 0.000 0.851 355 R HN 0.249 nan 8.270 nan 0.000 0.432 356 R N 0.185 120.671 120.500 -0.025 0.000 2.080 356 R HA -0.113 4.227 4.340 -0.000 0.000 0.236 356 R C 2.370 178.658 176.300 -0.021 0.000 1.137 356 R CA 2.079 58.168 56.100 -0.018 0.000 0.943 356 R CB -0.407 29.886 30.300 -0.012 0.000 0.846 356 R HN 0.298 nan 8.270 nan 0.000 0.431 357 I N 0.093 120.648 120.570 -0.026 0.000 2.179 357 I HA -0.267 3.903 4.170 -0.000 0.000 0.242 357 I C 2.169 178.263 176.117 -0.037 0.000 1.088 357 I CA 1.187 62.469 61.300 -0.030 0.000 1.357 357 I CB -0.236 37.744 38.000 -0.033 0.000 1.051 357 I HN 0.026 nan 8.210 nan 0.000 0.409 358 V N 0.422 120.309 119.914 -0.044 0.000 2.515 358 V HA -0.234 3.886 4.120 -0.000 0.000 0.250 358 V C 2.472 178.540 176.094 -0.043 0.000 1.058 358 V CA 2.205 64.474 62.300 -0.052 0.000 1.064 358 V CB -0.909 30.877 31.823 -0.062 0.000 0.675 358 V HN 0.470 nan 8.190 nan 0.000 0.461 359 T N 0.355 114.889 114.554 -0.033 0.000 2.684 359 T HA -0.226 4.124 4.350 -0.000 0.000 0.267 359 T C 1.891 176.577 174.700 -0.024 0.000 1.036 359 T CA 1.971 64.056 62.100 -0.026 0.000 1.148 359 T CB -0.306 68.550 68.868 -0.019 0.000 0.863 359 T HN 0.360 nan 8.240 nan 0.000 0.436 360 M N 0.109 119.696 119.600 -0.022 0.000 2.159 360 M HA -0.008 4.472 4.480 -0.000 0.000 0.263 360 M C 2.153 178.439 176.300 -0.024 0.000 1.063 360 M CA 1.146 56.435 55.300 -0.018 0.000 1.110 360 M CB -0.475 32.115 32.600 -0.016 0.000 1.374 360 M HN 0.132 nan 8.290 nan 0.000 0.411 361 L N 0.289 121.493 121.223 -0.031 0.000 2.093 361 L HA -0.104 4.236 4.340 -0.000 0.000 0.208 361 L C 2.498 179.347 176.870 -0.035 0.000 1.085 361 L CA 1.791 56.610 54.840 -0.035 0.000 0.755 361 L CB -0.604 41.429 42.059 -0.044 0.000 0.904 361 L HN 0.177 nan 8.230 nan 0.000 0.435 362 R N -0.777 119.701 120.500 -0.037 0.000 2.073 362 R HA -0.117 4.223 4.340 -0.000 0.000 0.229 362 R C 2.072 178.357 176.300 -0.025 0.000 1.120 362 R CA 1.210 57.289 56.100 -0.034 0.000 0.967 362 R CB -0.250 30.029 30.300 -0.036 0.000 0.862 362 R HN 0.433 nan 8.270 nan 0.000 0.436 363 E N 0.516 120.703 120.200 -0.021 0.000 2.160 363 E HA -0.163 4.187 4.350 -0.000 0.000 0.195 363 E C 1.388 177.980 176.600 -0.015 0.000 0.991 363 E CA 1.184 57.574 56.400 -0.015 0.000 0.810 363 E CB -0.025 29.668 29.700 -0.012 0.000 0.742 363 E HN 0.326 nan 8.360 nan 0.000 0.466 364 A N -0.050 122.760 122.820 -0.017 0.000 2.276 364 A HA 0.305 4.625 4.320 -0.000 0.000 0.212 364 A C 1.487 179.060 177.584 -0.017 0.000 1.230 364 A CA 0.726 52.753 52.037 -0.016 0.000 0.844 364 A CB -0.314 18.675 19.000 -0.019 0.000 0.860 364 A HN 0.330 nan 8.150 nan 0.000 0.486 365 G N -2.024 106.766 108.800 -0.018 0.000 2.176 365 G HA2 0.091 4.051 3.960 -0.000 0.000 0.232 365 G HA3 0.091 4.051 3.960 -0.000 0.000 0.232 365 G C 0.480 175.368 174.900 -0.019 0.000 0.986 365 G CA 0.116 45.206 45.100 -0.016 0.000 0.643 365 G HN 1.632 nan 8.290 nan 0.000 0.522 366 A N 0.492 123.297 122.820 -0.025 0.000 2.498 366 A HA 0.594 4.914 4.320 -0.000 0.000 0.239 366 A C 1.692 179.258 177.584 -0.030 0.000 1.068 366 A CA 1.628 53.648 52.037 -0.028 0.000 0.766 366 A CB 0.248 19.225 19.000 -0.039 0.000 1.003 366 A HN 1.479 nan 8.150 nan 0.000 0.497 367 T N -0.264 114.276 114.554 -0.024 0.000 3.035 367 T HA 0.222 4.572 4.350 -0.000 0.000 0.259 367 T C 0.418 175.093 174.700 -0.040 0.000 1.078 367 T CA 1.108 63.195 62.100 -0.022 0.000 1.132 367 T CB -0.079 68.787 68.868 -0.004 0.000 0.900 367 T HN 0.716 nan 8.240 nan 0.000 0.480 368 E N -0.315 119.846 120.200 -0.065 0.000 2.372 368 E HA 0.609 4.959 4.350 -0.000 0.000 0.279 368 E C -1.995 174.461 176.600 -0.240 0.000 0.946 368 E CA -0.889 55.409 56.400 -0.169 0.000 0.769 368 E CB 3.094 32.719 29.700 -0.124 0.000 1.230 368 E HN 0.016 nan 8.360 nan 0.000 0.442 369 V N 2.824 122.503 119.914 -0.391 0.000 2.462 369 V HA 0.255 4.375 4.120 -0.000 0.000 0.288 369 V C -1.051 174.795 176.094 -0.412 0.000 1.020 369 V CA -0.870 61.259 62.300 -0.285 0.000 0.857 369 V CB 1.204 32.929 31.823 -0.163 0.000 1.013 369 V HN 0.668 nan 8.190 nan 0.000 0.431 370 H N 3.455 122.481 119.070 -0.073 0.000 2.641 370 H HA 0.424 4.980 4.556 -0.000 0.000 0.295 370 H C -0.318 174.932 175.328 -0.131 0.000 1.070 370 H CA -0.354 55.642 56.048 -0.087 0.000 1.257 370 H CB 1.976 31.692 29.762 -0.077 0.000 1.393 370 H HN 0.407 nan 8.280 nan 0.000 0.464 371 V N 4.297 124.170 119.914 -0.069 0.000 2.530 371 V HA 0.077 4.197 4.120 -0.000 0.000 0.282 371 V C 0.388 176.380 176.094 -0.169 0.000 1.048 371 V CA -0.155 62.064 62.300 -0.134 0.000 0.997 371 V CB 0.902 32.630 31.823 -0.158 0.000 0.987 371 V HN 0.522 nan 8.190 nan 0.000 0.477 372 K N 4.763 125.038 120.400 -0.208 0.000 2.502 372 K HA 0.581 4.901 4.320 -0.000 0.000 0.254 372 K C -1.135 175.349 176.600 -0.193 0.000 0.947 372 K CA -0.305 55.860 56.287 -0.204 0.000 0.834 372 K CB 1.231 33.555 32.500 -0.293 0.000 1.112 372 K HN 0.414 nan 8.250 nan 0.000 0.427 373 I N 2.836 123.270 120.570 -0.227 0.000 2.339 373 I HA 0.154 4.324 4.170 -0.000 0.000 0.290 373 I C 0.465 176.565 176.117 -0.029 0.000 0.994 373 I CA -0.544 60.652 61.300 -0.174 0.000 1.191 373 I CB 1.435 39.204 38.000 -0.385 0.000 1.343 373 I HN 0.633 nan 8.210 nan 0.000 0.458 374 S N 3.547 119.256 115.700 0.015 0.000 3.456 374 S HA 0.416 4.886 4.470 -0.000 0.000 0.229 374 S C 0.188 174.808 174.600 0.032 0.000 1.416 374 S CA -0.362 57.858 58.200 0.034 0.000 1.197 374 S CB -0.405 62.818 63.200 0.038 0.000 1.201 374 S HN 0.542 nan 8.310 nan 0.000 0.479 375 S N 1.625 117.357 115.700 0.055 0.000 2.537 375 S HA 0.563 5.033 4.470 -0.000 0.000 0.271 375 S C -2.961 171.643 174.600 0.007 0.000 1.148 375 S CA -1.047 57.136 58.200 -0.030 0.000 0.868 375 S CB 1.753 65.017 63.200 0.108 0.000 1.115 375 S HN 0.202 nan 8.310 nan 0.000 0.461 376 P HA 0.226 nan 4.420 nan 0.000 0.271 376 P C -2.616 174.598 177.300 -0.142 0.000 1.238 376 P CA -0.889 62.092 63.100 -0.198 0.000 0.794 376 P CB -0.506 30.976 31.700 -0.364 0.000 0.959 377 P HA 0.059 nan 4.420 nan 0.000 0.267 377 P C -0.430 176.887 177.300 0.030 0.000 1.201 377 P CA 0.780 63.592 63.100 -0.481 0.000 0.775 377 P CB 0.142 31.430 31.700 -0.686 0.000 0.854 378 I N 1.889 122.487 120.570 0.047 0.000 2.307 378 I HA 0.308 4.478 4.170 -0.000 0.000 0.289 378 I C 0.885 176.953 176.117 -0.082 0.000 1.021 378 I CA 0.016 61.334 61.300 0.030 0.000 1.224 378 I CB 1.137 39.147 38.000 0.017 0.000 1.376 378 I HN 0.391 nan 8.210 nan 0.000 0.470 379 A N 5.468 128.207 122.820 -0.134 0.000 2.312 379 A HA 0.271 4.590 4.320 -0.000 0.000 0.215 379 A C 0.577 177.846 177.584 -0.526 0.000 1.256 379 A CA 0.221 52.072 52.037 -0.309 0.000 0.966 379 A CB 0.314 19.099 19.000 -0.358 0.000 1.053 379 A HN 0.612 nan 8.150 nan 0.000 0.510 380 H N -0.097 118.928 119.070 -0.075 0.000 2.670 380 H HA 0.439 4.995 4.556 -0.000 0.000 0.361 380 H C -2.730 172.556 175.328 -0.069 0.000 1.169 380 H CA -1.900 54.128 56.048 -0.033 0.000 1.198 380 H CB 1.172 30.915 29.762 -0.031 0.000 1.700 380 H HN 0.070 nan 8.280 nan 0.000 0.542 381 P HA 0.060 nan 4.420 nan 0.000 0.274 381 P C -0.462 176.673 177.300 -0.275 0.000 1.246 381 P CA -0.364 62.608 63.100 -0.214 0.000 0.795 381 P CB 0.744 32.190 31.700 -0.422 0.000 1.006 382 C N 2.329 121.366 119.300 -0.439 0.000 2.329 382 C HA 0.512 4.972 4.460 -0.000 0.000 0.329 382 C C 0.277 174.842 174.990 -0.708 0.000 1.275 382 C CA -0.323 58.474 59.018 -0.369 0.000 1.726 382 C CB -1.362 26.245 27.740 -0.223 0.000 2.291 382 C HN 0.505 nan 8.230 nan 0.000 0.514 383 F N 3.994 123.638 119.950 -0.510 0.000 2.639 383 F HA 0.309 4.836 4.527 -0.000 0.000 0.302 383 F C 0.415 175.885 175.800 -0.549 0.000 1.097 383 F CA -0.079 57.582 58.000 -0.566 0.000 1.294 383 F CB -0.086 38.485 39.000 -0.715 0.000 1.027 383 F HN 0.644 nan 8.300 nan 0.000 0.550 384 Y N -0.063 120.288 120.300 0.085 0.000 2.584 384 Y HA 0.608 5.158 4.550 -0.000 0.000 0.254 384 Y C 0.924 176.799 175.900 -0.042 0.000 1.177 384 Y CA -1.083 57.044 58.100 0.044 0.000 1.216 384 Y CB 0.539 39.020 38.460 0.036 0.000 1.172 384 Y HN -0.063 nan 8.280 nan 0.000 0.529 385 G N -0.086 108.715 108.800 0.002 0.000 2.351 385 G HA2 0.138 4.098 3.960 -0.000 0.000 0.296 385 G HA3 0.138 4.098 3.960 -0.000 0.000 0.296 385 G C 0.374 175.169 174.900 -0.176 0.000 1.685 385 G CA -0.460 44.585 45.100 -0.091 0.000 0.936 385 G HN 0.011 nan 8.290 nan 0.000 0.714 386 I N 0.612 121.089 120.570 -0.155 0.000 2.151 386 I HA -0.162 4.008 4.170 -0.000 0.000 0.243 386 I C 2.203 177.986 176.117 -0.557 0.000 1.080 386 I CA 2.486 63.681 61.300 -0.175 0.000 1.339 386 I CB -1.392 36.606 38.000 -0.003 0.000 1.039 386 I HN 0.626 nan 8.210 nan 0.000 0.409 387 D N 1.491 121.360 120.400 -0.885 0.000 2.221 387 D HA -0.187 4.453 4.640 -0.000 0.000 0.204 387 D C 1.745 177.487 176.300 -0.930 0.000 0.982 387 D CA 2.021 55.174 54.000 -1.412 0.000 0.857 387 D CB -1.002 39.119 40.800 -1.131 0.000 0.934 387 D HN 0.600 nan 8.370 nan 0.000 0.475 388 T N -3.640 110.558 114.554 -0.593 0.000 3.023 388 T HA 0.245 4.595 4.350 -0.000 0.000 0.253 388 T C 0.816 175.378 174.700 -0.229 0.000 1.038 388 T CA -0.373 61.512 62.100 -0.358 0.000 0.962 388 T CB 0.065 68.754 68.868 -0.299 0.000 1.018 388 T HN 0.109 nan 8.240 nan 0.000 0.521 389 S N 0.927 116.493 115.700 -0.223 0.000 2.758 389 S HA 0.746 5.216 4.470 -0.000 0.000 0.292 389 S C -0.300 174.218 174.600 -0.137 0.000 1.131 389 S CA -0.734 57.360 58.200 -0.177 0.000 0.997 389 S CB 1.604 64.710 63.200 -0.157 0.000 1.111 389 S HN 0.309 nan 8.310 nan 0.000 0.552 390 T N -0.909 113.550 114.554 -0.158 0.000 2.900 390 T HA 0.436 4.786 4.350 -0.000 0.000 0.303 390 T C -0.060 174.465 174.700 -0.292 0.000 1.142 390 T CA -0.622 61.355 62.100 -0.205 0.000 1.007 390 T CB 0.862 69.594 68.868 -0.226 0.000 1.156 390 T HN 0.883 nan 8.240 nan 0.000 0.490 391 H N 0.719 119.550 119.070 -0.398 0.000 2.563 391 H HA 0.518 5.074 4.556 0.000 0.000 0.264 391 H C 0.537 175.762 175.328 -0.172 0.000 0.957 391 H CA -0.259 55.498 56.048 -0.484 0.000 1.173 391 H CB 0.368 29.791 29.762 -0.564 0.000 1.420 391 H HN 0.420 nan 8.280 nan 0.000 0.551 392 E N 1.503 121.430 120.200 -0.454 0.000 2.283 392 E HA 0.035 4.385 4.350 -0.000 0.000 0.267 392 E C -0.105 176.406 176.600 -0.149 0.000 1.045 392 E CA -0.821 55.418 56.400 -0.268 0.000 0.884 392 E CB 1.114 30.614 29.700 -0.334 0.000 1.106 392 E HN 0.284 nan 8.360 nan 0.000 0.408 393 E N 2.277 122.425 120.200 -0.087 0.000 2.480 393 E HA -0.045 4.305 4.350 -0.000 0.000 0.258 393 E C -0.918 175.638 176.600 -0.073 0.000 0.984 393 E CA 0.157 56.525 56.400 -0.055 0.000 0.930 393 E CB 0.315 30.001 29.700 -0.022 0.000 0.936 393 E HN 0.343 nan 8.360 nan 0.000 0.466 394 L N 6.878 128.059 121.223 -0.070 0.000 2.281 394 L HA 0.176 4.516 4.340 -0.000 0.000 0.285 394 L C 1.706 178.540 176.870 -0.060 0.000 1.074 394 L CA -0.339 54.454 54.840 -0.078 0.000 0.817 394 L CB 0.646 42.651 42.059 -0.091 0.000 1.168 394 L HN 0.597 nan 8.230 nan 0.000 0.434 395 I N 0.134 120.648 120.570 -0.093 0.000 3.001 395 I HA -0.051 4.119 4.170 -0.000 0.000 0.268 395 I C 2.012 178.123 176.117 -0.010 0.000 1.267 395 I CA 0.921 62.136 61.300 -0.141 0.000 1.472 395 I CB -0.231 37.474 38.000 -0.492 0.000 1.089 395 I HN 0.664 nan 8.210 nan 0.000 0.468 396 A N 1.148 123.947 122.820 -0.035 0.000 2.206 396 A HA 0.006 4.326 4.320 -0.000 0.000 0.211 396 A C 2.365 179.924 177.584 -0.042 0.000 1.158 396 A CA 1.199 53.212 52.037 -0.040 0.000 0.761 396 A CB -0.505 18.421 19.000 -0.125 0.000 0.801 396 A HN 0.490 nan 8.150 nan 0.000 0.473 397 S N 0.715 116.391 115.700 -0.041 0.000 2.355 397 S HA -0.125 4.345 4.470 -0.000 0.000 0.222 397 S C 2.075 176.673 174.600 -0.002 0.000 1.031 397 S CA 1.742 59.905 58.200 -0.062 0.000 0.993 397 S CB -0.242 62.923 63.200 -0.060 0.000 0.859 397 S HN 0.791 nan 8.310 nan 0.000 0.453 398 S N 0.128 115.883 115.700 0.092 0.000 2.503 398 S HA 0.209 4.679 4.470 -0.000 0.000 0.215 398 S C -0.069 174.456 174.600 -0.125 0.000 1.003 398 S CA -0.193 58.004 58.200 -0.006 0.000 0.910 398 S CB -0.062 63.123 63.200 -0.023 0.000 0.790 398 S HN 0.493 nan 8.310 nan 0.000 0.514 399 H N 2.046 121.100 119.070 -0.026 0.000 2.524 399 H HA 0.669 5.225 4.556 -0.000 0.000 0.353 399 H C 0.119 175.440 175.328 -0.012 0.000 1.136 399 H CA -0.964 55.077 56.048 -0.010 0.000 1.193 399 H CB 1.235 31.000 29.762 0.004 0.000 1.558 399 H HN 0.201 nan 8.280 nan 0.000 0.515 400 S N 0.481 116.240 115.700 0.097 0.000 2.614 400 S HA 0.099 4.569 4.470 -0.000 0.000 0.265 400 S C 1.278 175.939 174.600 0.103 0.000 1.303 400 S CA -0.665 57.574 58.200 0.065 0.000 1.000 400 S CB 0.855 64.081 63.200 0.042 0.000 0.935 400 S HN 0.367 nan 8.310 nan 0.000 0.551 401 V N 1.046 121.018 119.914 0.096 0.000 2.568 401 V HA -0.181 3.939 4.120 -0.000 0.000 0.253 401 V C 2.285 178.466 176.094 0.145 0.000 1.072 401 V CA 2.475 64.882 62.300 0.178 0.000 1.084 401 V CB -1.200 30.752 31.823 0.216 0.000 0.676 401 V HN 1.017 nan 8.190 nan 0.000 0.469 402 D N -0.294 120.166 120.400 0.099 0.000 2.149 402 D HA -0.135 4.505 4.640 -0.000 0.000 0.201 402 D C 2.196 178.547 176.300 0.086 0.000 0.972 402 D CA 1.039 55.087 54.000 0.079 0.000 0.835 402 D CB 0.016 40.850 40.800 0.056 0.000 0.966 402 D HN 0.556 nan 8.370 nan 0.000 0.476 403 E N -0.175 120.089 120.200 0.107 0.000 2.106 403 E HA -0.119 4.231 4.350 -0.000 0.000 0.192 403 E C 2.209 178.905 176.600 0.160 0.000 0.984 403 E CA 0.598 57.084 56.400 0.144 0.000 0.806 403 E CB 0.035 29.843 29.700 0.179 0.000 0.750 403 E HN 0.441 nan 8.360 nan 0.000 0.458 404 I N 0.883 121.536 120.570 0.138 0.000 2.315 404 I HA -0.228 3.942 4.170 -0.000 0.000 0.248 404 I C 2.745 178.892 176.117 0.050 0.000 1.117 404 I CA 0.831 62.168 61.300 0.063 0.000 1.404 404 I CB -0.248 37.826 38.000 0.123 0.000 1.071 404 I HN 0.023 nan 8.210 nan 0.000 0.419 405 R N 1.070 121.609 120.500 0.064 0.000 2.081 405 R HA -0.211 4.129 4.340 -0.000 0.000 0.235 405 R C 2.250 178.560 176.300 0.016 0.000 1.131 405 R CA 1.683 57.800 56.100 0.028 0.000 0.960 405 R CB -0.118 30.203 30.300 0.034 0.000 0.856 405 R HN 0.450 nan 8.270 nan 0.000 0.436 406 Q N -0.322 119.498 119.800 0.033 0.000 2.119 406 Q HA -0.145 4.195 4.340 -0.000 0.000 0.201 406 Q C 2.009 178.019 176.000 0.018 0.000 0.972 406 Q CA 1.068 56.886 55.803 0.026 0.000 0.847 406 Q CB 0.042 28.803 28.738 0.039 0.000 0.903 406 Q HN 0.311 nan 8.270 nan 0.000 0.433 407 E N 0.954 121.167 120.200 0.022 0.000 2.028 407 E HA -0.161 4.189 4.350 -0.000 0.000 0.191 407 E C 2.031 178.622 176.600 -0.016 0.000 0.988 407 E CA 1.105 57.507 56.400 0.003 0.000 0.799 407 E CB -0.097 29.591 29.700 -0.021 0.000 0.755 407 E HN 0.519 nan 8.360 nan 0.000 0.447 408 I N -2.789 117.766 120.570 -0.025 0.000 3.001 408 I HA 0.143 4.313 4.170 -0.000 0.000 0.268 408 I C 1.267 177.362 176.117 -0.036 0.000 1.267 408 I CA 1.035 62.314 61.300 -0.036 0.000 1.472 408 I CB -0.264 37.708 38.000 -0.047 0.000 1.089 408 I HN 0.136 nan 8.210 nan 0.000 0.468 409 G N 1.457 110.239 108.800 -0.029 0.000 2.147 409 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.244 409 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.244 409 G C 0.306 175.175 174.900 -0.050 0.000 1.005 409 G CA 0.111 45.191 45.100 -0.033 0.000 0.713 409 G HN 0.975 nan 8.290 nan 0.000 0.515 410 A N -0.731 122.055 122.820 -0.056 0.000 2.304 410 A HA 0.669 4.989 4.320 -0.000 0.000 0.271 410 A C 1.027 178.563 177.584 -0.080 0.000 1.091 410 A CA 0.709 52.696 52.037 -0.084 0.000 0.812 410 A CB 0.524 19.473 19.000 -0.084 0.000 1.056 410 A HN 0.202 nan 8.150 nan 0.000 0.489 411 D N -0.769 119.548 120.400 -0.137 0.000 2.149 411 D HA 0.063 4.703 4.640 -0.000 0.000 0.201 411 D C 0.902 177.197 176.300 -0.008 0.000 0.972 411 D CA 2.184 56.114 54.000 -0.116 0.000 0.835 411 D CB 0.131 40.755 40.800 -0.292 0.000 0.966 411 D HN 0.759 nan 8.370 nan 0.000 0.476 412 T N -2.143 112.427 114.554 0.025 0.000 2.864 412 T HA 0.598 4.948 4.350 -0.000 0.000 0.299 412 T C -1.480 173.227 174.700 0.012 0.000 1.166 412 T CA -1.064 61.082 62.100 0.076 0.000 1.007 412 T CB 1.971 70.950 68.868 0.184 0.000 1.219 412 T HN -0.053 nan 8.240 nan 0.000 0.506 413 L N 0.789 122.007 121.223 -0.008 0.000 2.470 413 L HA 0.799 5.139 4.340 -0.000 0.000 0.268 413 L C -1.265 175.554 176.870 -0.086 0.000 0.964 413 L CA -0.130 54.653 54.840 -0.094 0.000 0.839 413 L CB 2.188 44.199 42.059 -0.081 0.000 1.276 413 L HN 0.925 nan 8.230 nan 0.000 0.403 414 S N 4.246 119.845 115.700 -0.168 0.000 2.538 414 S HA 0.766 5.236 4.470 -0.000 0.000 0.288 414 S C -1.059 173.435 174.600 -0.178 0.000 1.108 414 S CA -0.291 57.872 58.200 -0.063 0.000 0.971 414 S CB 1.161 64.361 63.200 0.000 0.000 1.041 414 S HN 0.404 nan 8.310 nan 0.000 0.483 415 F N 1.268 121.220 119.950 0.004 0.000 2.507 415 F HA 0.515 5.042 4.527 -0.000 0.000 0.327 415 F C 0.376 176.162 175.800 -0.023 0.000 1.068 415 F CA -0.976 57.018 58.000 -0.011 0.000 0.965 415 F CB 0.803 39.795 39.000 -0.014 0.000 1.192 415 F HN 0.281 nan 8.300 nan 0.000 0.476 416 L N 1.833 123.151 121.223 0.159 0.000 2.461 416 L HA 0.208 4.548 4.340 -0.000 0.000 0.272 416 L C 0.397 177.270 176.870 0.005 0.000 1.197 416 L CA -0.159 54.709 54.840 0.046 0.000 0.836 416 L CB 0.974 43.023 42.059 -0.017 0.000 1.105 416 L HN 0.827 nan 8.230 nan 0.000 0.477 417 S N 1.585 117.273 115.700 -0.019 0.000 2.652 417 S HA 0.217 4.687 4.470 -0.000 0.000 0.270 417 S C 0.927 175.472 174.600 -0.092 0.000 1.243 417 S CA -1.017 57.158 58.200 -0.041 0.000 0.999 417 S CB 1.680 64.868 63.200 -0.021 0.000 0.973 417 S HN 0.368 nan 8.310 nan 0.000 0.544 418 V N 0.933 120.790 119.914 -0.096 0.000 2.515 418 V HA -0.101 4.019 4.120 -0.000 0.000 0.250 418 V C 2.701 178.749 176.094 -0.077 0.000 1.058 418 V CA 2.020 64.252 62.300 -0.114 0.000 1.064 418 V CB -1.098 30.684 31.823 -0.068 0.000 0.675 418 V HN 1.023 nan 8.190 nan 0.000 0.461 419 E N 0.647 120.815 120.200 -0.053 0.000 2.107 419 E HA -0.148 4.202 4.350 -0.000 0.000 0.191 419 E C 2.278 178.849 176.600 -0.049 0.000 0.982 419 E CA 1.254 57.629 56.400 -0.042 0.000 0.809 419 E CB -0.238 29.445 29.700 -0.029 0.000 0.756 419 E HN 0.585 nan 8.360 nan 0.000 0.459 420 G N 1.496 110.264 108.800 -0.052 0.000 2.408 420 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.217 420 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.217 420 G C 1.528 176.386 174.900 -0.070 0.000 1.150 420 G CA 0.670 45.738 45.100 -0.053 0.000 0.776 420 G HN 0.287 nan 8.290 nan 0.000 0.542 421 L N 0.423 121.590 121.223 -0.093 0.000 2.012 421 L HA 0.050 4.390 4.340 -0.000 0.000 0.210 421 L C 2.665 179.474 176.870 -0.103 0.000 1.073 421 L CA 1.511 56.282 54.840 -0.115 0.000 0.748 421 L CB -0.403 41.544 42.059 -0.186 0.000 0.891 421 L HN 0.203 nan 8.230 nan 0.000 0.431 422 L N -0.709 120.464 121.223 -0.084 0.000 2.056 422 L HA -0.199 4.141 4.340 -0.000 0.000 0.207 422 L C 2.637 179.464 176.870 -0.072 0.000 1.078 422 L CA 1.553 56.351 54.840 -0.070 0.000 0.749 422 L CB -0.530 41.503 42.059 -0.043 0.000 0.901 422 L HN 0.286 nan 8.230 nan 0.000 0.433 423 K N 0.100 120.462 120.400 -0.064 0.000 2.057 423 K HA -0.114 4.206 4.320 -0.000 0.000 0.206 423 K C 2.076 178.632 176.600 -0.073 0.000 1.050 423 K CA 1.270 57.521 56.287 -0.060 0.000 0.935 423 K CB -0.306 32.163 32.500 -0.051 0.000 0.715 423 K HN 0.285 nan 8.250 nan 0.000 0.439 424 G N 1.366 110.118 108.800 -0.080 0.000 2.459 424 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.217 424 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.217 424 G C 1.487 176.319 174.900 -0.113 0.000 1.183 424 G CA 1.173 46.222 45.100 -0.086 0.000 0.776 424 G HN 0.272 nan 8.290 nan 0.000 0.552 425 I N 0.875 121.349 120.570 -0.160 0.000 2.315 425 I HA 0.048 4.218 4.170 -0.000 0.000 0.248 425 I C 2.118 178.119 176.117 -0.193 0.000 1.117 425 I CA 0.950 62.096 61.300 -0.257 0.000 1.404 425 I CB -0.379 37.353 38.000 -0.448 0.000 1.071 425 I HN 0.389 nan 8.210 nan 0.000 0.419 426 G N 1.904 110.622 108.800 -0.135 0.000 2.182 426 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.248 426 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.248 426 G C 0.106 174.960 174.900 -0.077 0.000 1.042 426 G CA -0.366 44.680 45.100 -0.091 0.000 0.775 426 G HN 0.332 nan 8.290 nan 0.000 0.501 427 R N -0.389 120.074 120.500 -0.062 0.000 2.490 427 R HA 0.324 4.664 4.340 -0.000 0.000 0.280 427 R C 0.577 176.841 176.300 -0.060 0.000 1.077 427 R CA -0.287 55.813 56.100 -0.001 0.000 1.065 427 R CB 0.555 30.946 30.300 0.151 0.000 1.003 427 R HN -0.067 nan 8.270 nan 0.000 0.470 428 K N 2.960 123.212 120.400 -0.246 0.000 2.684 428 K HA 0.108 4.428 4.320 -0.000 0.000 0.215 428 K C -0.781 175.596 176.600 -0.371 0.000 1.073 428 K CA 0.012 56.133 56.287 -0.277 0.000 1.197 428 K CB 0.040 32.377 32.500 -0.271 0.000 0.955 428 K HN 0.417 nan 8.250 nan 0.000 0.473 429 Y N 1.405 121.702 120.300 -0.004 0.000 2.323 429 Y HA 0.068 4.618 4.550 -0.000 0.000 0.331 429 Y C 0.576 176.473 175.900 -0.006 0.000 1.092 429 Y CA -1.744 56.355 58.100 -0.002 0.000 1.150 429 Y CB 0.799 39.260 38.460 0.002 0.000 1.200 429 Y HN 0.129 nan 8.280 nan 0.000 0.472 430 D N 3.337 123.831 120.400 0.156 0.000 2.402 430 D HA 0.215 4.855 4.640 -0.000 0.000 0.235 430 D C -0.698 175.651 176.300 0.082 0.000 1.226 430 D CA -0.279 53.771 54.000 0.084 0.000 0.918 430 D CB 0.120 40.950 40.800 0.050 0.000 1.043 430 D HN 0.729 nan 8.370 nan 0.000 0.506 431 D N 0.289 120.728 120.400 0.066 0.000 2.954 431 D HA -0.106 4.534 4.640 -0.000 0.000 0.260 431 D C 0.463 176.783 176.300 0.033 0.000 1.072 431 D CA -0.387 53.637 54.000 0.040 0.000 0.735 431 D CB 0.246 41.064 40.800 0.030 0.000 1.934 431 D HN 0.181 nan 8.370 nan 0.000 0.458 432 S N 2.097 117.807 115.700 0.018 0.000 2.457 432 S HA -0.355 4.115 4.470 -0.000 0.000 0.269 432 S C 1.088 175.695 174.600 0.013 0.000 1.139 432 S CA 2.080 60.286 58.200 0.011 0.000 1.176 432 S CB -0.716 62.486 63.200 0.004 0.000 1.088 432 S HN 0.631 nan 8.310 nan 0.000 0.443 433 N N -0.006 118.703 118.700 0.016 0.000 2.268 433 N HA 0.268 5.008 4.740 -0.000 0.000 0.204 433 N C 0.024 175.554 175.510 0.032 0.000 1.124 433 N CA 0.283 53.344 53.050 0.019 0.000 0.838 433 N CB -0.440 38.054 38.487 0.011 0.000 0.994 433 N HN 0.544 nan 8.380 nan 0.000 0.489 434 C N 0.148 119.482 119.300 0.057 0.000 4.184 434 C HA -0.171 4.289 4.460 -0.000 0.000 0.295 434 C C 1.493 176.571 174.990 0.147 0.000 1.477 434 C CA 0.420 59.508 59.018 0.117 0.000 2.037 434 C CB -2.358 25.426 27.740 0.075 0.000 1.282 434 C HN 0.707 nan 8.230 nan 0.000 0.783 435 G N -0.504 108.312 108.800 0.026 0.000 2.160 435 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.244 435 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.244 435 G C -0.366 174.488 174.900 -0.077 0.000 1.022 435 G CA 0.615 45.627 45.100 -0.147 0.000 0.741 435 G HN 0.786 nan 8.290 nan 0.000 0.508 436 Q N -1.151 118.645 119.800 -0.007 0.000 2.377 436 Q HA 0.554 4.894 4.340 -0.000 0.000 0.271 436 Q C 0.158 176.173 176.000 0.026 0.000 1.077 436 Q CA -0.706 55.117 55.803 0.034 0.000 0.820 436 Q CB 2.538 31.320 28.738 0.072 0.000 1.347 436 Q HN 0.532 nan 8.270 nan 0.000 0.444 437 C N 3.688 123.006 119.300 0.031 0.000 2.499 437 C HA 0.407 4.867 4.460 -0.000 0.000 0.386 437 C C 0.508 175.543 174.990 0.075 0.000 1.293 437 C CA -0.191 58.839 59.018 0.020 0.000 1.884 437 C CB -1.179 26.560 27.740 -0.001 0.000 2.509 437 C HN 0.859 nan 8.230 nan 0.000 0.566 438 L N 5.800 127.060 121.223 0.060 0.000 3.229 438 L HA 0.285 4.625 4.340 -0.000 0.000 0.286 438 L C 2.015 178.836 176.870 -0.083 0.000 1.239 438 L CA 0.256 55.196 54.840 0.166 0.000 1.035 438 L CB -0.599 41.627 42.059 0.279 0.000 1.408 438 L HN 0.817 nan 8.230 nan 0.000 0.593 439 A N 1.048 123.738 122.820 -0.218 0.000 1.896 439 A HA -0.337 3.983 4.320 -0.000 0.000 0.220 439 A C 2.451 179.753 177.584 -0.469 0.000 1.206 439 A CA 2.539 54.283 52.037 -0.489 0.000 0.647 439 A CB -1.239 17.353 19.000 -0.679 0.000 0.828 439 A HN 0.730 nan 8.150 nan 0.000 0.455 440 C N -2.199 116.843 119.300 -0.429 0.000 2.397 440 C HA -0.096 4.364 4.460 -0.000 0.000 0.286 440 C C 2.218 177.013 174.990 -0.325 0.000 1.308 440 C CA 0.871 59.651 59.018 -0.397 0.000 1.805 440 C CB -2.093 25.314 27.740 -0.555 0.000 1.952 440 C HN 0.451 nan 8.230 nan 0.000 0.518 441 F N 2.255 122.221 119.950 0.026 0.000 2.222 441 F HA 0.111 4.638 4.527 0.000 0.000 0.285 441 F C 2.846 178.681 175.800 0.057 0.000 1.068 441 F CA 1.566 59.582 58.000 0.027 0.000 1.265 441 F CB -1.434 37.559 39.000 -0.012 0.000 1.087 441 F HN 0.263 nan 8.300 nan 0.000 0.511 442 T N -3.215 111.401 114.554 0.103 0.000 3.057 442 T HA 0.429 4.779 4.350 -0.000 0.000 0.254 442 T C 1.824 176.339 174.700 -0.308 0.000 1.094 442 T CA 0.739 62.822 62.100 -0.029 0.000 1.088 442 T CB 0.108 68.966 68.868 -0.017 0.000 0.934 442 T HN 0.534 nan 8.240 nan 0.000 0.497 443 G N 1.454 109.825 108.800 -0.716 0.000 2.217 443 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.246 443 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.246 443 G C -0.034 174.508 174.900 -0.596 0.000 0.990 443 G CA -0.026 44.389 45.100 -1.142 0.000 0.627 443 G HN 0.654 nan 8.290 nan 0.000 0.522 444 K N 0.707 120.849 120.400 -0.431 0.000 2.253 444 K HA 0.545 4.865 4.320 -0.000 0.000 0.277 444 K C -0.748 175.665 176.600 -0.312 0.000 1.053 444 K CA -0.600 55.534 56.287 -0.255 0.000 0.892 444 K CB 0.840 33.261 32.500 -0.132 0.000 1.102 444 K HN 0.250 nan 8.250 nan 0.000 0.469 445 Y N 3.242 123.544 120.300 0.003 0.000 2.304 445 Y HA 0.108 4.658 4.550 0.000 0.000 0.328 445 Y C -0.998 174.940 175.900 0.063 0.000 1.123 445 Y CA -1.945 56.205 58.100 0.084 0.000 1.218 445 Y CB 0.684 39.218 38.460 0.122 0.000 1.207 445 Y HN 0.554 nan 8.280 nan 0.000 0.495 446 P HA -0.008 nan 4.420 nan 0.000 0.244 446 P C -0.218 177.118 177.300 0.060 0.000 1.211 446 P CA 0.727 63.861 63.100 0.057 0.000 0.760 446 P CB 0.410 32.087 31.700 -0.039 0.000 0.961 447 T N 0.198 114.850 114.554 0.165 0.000 2.843 447 T HA 0.211 4.561 4.350 -0.000 0.000 0.302 447 T C -1.090 173.626 174.700 0.028 0.000 1.232 447 T CA -0.718 61.446 62.100 0.107 0.000 1.009 447 T CB 2.196 71.181 68.868 0.194 0.000 1.254 447 T HN 0.001 nan 8.240 nan 0.000 0.504 448 E N 2.295 122.434 120.200 -0.101 0.000 2.316 448 E HA 0.300 4.650 4.350 -0.000 0.000 0.275 448 E C -0.741 175.525 176.600 -0.557 0.000 1.029 448 E CA -0.415 55.800 56.400 -0.309 0.000 0.871 448 E CB 0.772 30.268 29.700 -0.340 0.000 1.022 448 E HN 0.292 nan 8.360 nan 0.000 0.418 449 I N 3.361 123.557 120.570 -0.623 0.000 2.389 449 I HA 0.218 4.388 4.170 -0.000 0.000 0.288 449 I C -0.288 175.392 176.117 -0.729 0.000 0.999 449 I CA -1.102 59.749 61.300 -0.748 0.000 1.129 449 I CB 0.107 37.608 38.000 -0.833 0.000 1.288 449 I HN 0.452 nan 8.210 nan 0.000 0.444 450 Y N 4.357 124.490 120.300 -0.277 0.000 2.298 450 Y HA 0.085 4.635 4.550 0.000 0.000 0.329 450 Y C 1.759 177.538 175.900 -0.202 0.000 1.293 450 Y CA -0.351 57.635 58.100 -0.191 0.000 1.388 450 Y CB 0.597 38.972 38.460 -0.142 0.000 1.309 450 Y HN 0.543 nan 8.280 nan 0.000 0.544 451 Q N 1.047 120.877 119.800 0.051 0.000 2.291 451 Q HA -0.161 4.179 4.340 -0.000 0.000 0.205 451 Q C 0.203 176.196 176.000 -0.011 0.000 0.970 451 Q CA 1.949 57.747 55.803 -0.009 0.000 0.876 451 Q CB -0.829 27.912 28.738 0.005 0.000 0.935 451 Q HN 0.929 nan 8.270 nan 0.000 0.455 452 D N -0.290 120.123 120.400 0.021 0.000 2.328 452 D HA 0.038 4.678 4.640 -0.000 0.000 0.221 452 D C -0.434 175.856 176.300 -0.016 0.000 1.072 452 D CA -0.126 53.866 54.000 -0.013 0.000 0.850 452 D CB 0.034 40.805 40.800 -0.048 0.000 0.922 452 D HN -0.104 nan 8.370 nan 0.000 0.516 453 T N 1.625 116.151 114.554 -0.047 0.000 2.743 453 T HA 0.281 4.631 4.350 -0.000 0.000 0.290 453 T C 0.496 175.142 174.700 -0.090 0.000 0.908 453 T CA -0.638 61.386 62.100 -0.126 0.000 1.092 453 T CB 0.575 69.191 68.868 -0.420 0.000 0.882 453 T HN 0.201 nan 8.240 nan 0.000 0.531 454 V N 3.234 123.151 119.914 0.006 0.000 2.904 454 V HA 0.548 4.668 4.120 -0.000 0.000 0.305 454 V C 0.402 176.604 176.094 0.180 0.000 1.067 454 V CA -1.145 61.192 62.300 0.061 0.000 1.044 454 V CB 0.534 32.351 31.823 -0.011 0.000 1.050 454 V HN 0.681 nan 8.190 nan 0.000 0.475 455 L N 3.888 125.198 121.223 0.146 0.000 2.416 455 L HA 0.265 4.605 4.340 -0.000 0.000 0.272 455 L C -1.250 175.603 176.870 -0.027 0.000 1.161 455 L CA -1.173 53.710 54.840 0.071 0.000 0.845 455 L CB 1.170 43.247 42.059 0.030 0.000 1.119 455 L HN 0.537 nan 8.230 nan 0.000 0.464 456 P HA -0.222 nan 4.420 nan 0.000 0.217 456 P C 1.191 178.515 177.300 0.040 0.000 1.148 456 P CA 1.410 64.543 63.100 0.055 0.000 0.828 456 P CB -0.116 31.620 31.700 0.061 0.000 0.783 457 H N -1.683 117.406 119.070 0.030 0.000 2.495 457 H HA 0.051 4.607 4.556 -0.000 0.000 0.287 457 H C 1.418 176.761 175.328 0.025 0.000 1.033 457 H CA 0.768 56.837 56.048 0.035 0.000 1.307 457 H CB -1.207 28.580 29.762 0.042 0.000 1.401 457 H HN -0.029 nan 8.280 nan 0.000 0.555 458 V N 1.338 120.903 119.914 -0.582 0.000 3.383 458 V HA -0.130 3.990 4.120 -0.000 0.000 0.272 458 V C 1.187 177.199 176.094 -0.137 0.000 1.181 458 V CA 1.310 63.396 62.300 -0.356 0.000 1.171 458 V CB -0.616 30.990 31.823 -0.362 0.000 0.800 458 V HN 0.364 nan 8.190 nan 0.000 0.515 459 K N 1.539 121.892 120.400 -0.079 0.000 2.994 459 K HA 0.124 4.444 4.320 -0.000 0.000 0.231 459 K C 0.650 177.252 176.600 0.003 0.000 1.174 459 K CA -0.193 56.078 56.287 -0.026 0.000 1.221 459 K CB 0.110 32.611 32.500 0.002 0.000 1.166 459 K HN 0.514 nan 8.250 nan 0.000 0.453 460 E N 0.444 120.646 120.200 0.002 0.000 2.342 460 E HA 0.259 4.609 4.350 -0.000 0.000 0.257 460 E C -0.213 176.401 176.600 0.024 0.000 1.150 460 E CA -0.165 56.251 56.400 0.026 0.000 0.926 460 E CB 1.495 31.212 29.700 0.029 0.000 1.074 460 E HN 0.062 nan 8.360 nan 0.000 0.449 461 A N 2.472 125.314 122.820 0.036 0.000 2.083 461 A HA 0.271 4.591 4.320 -0.000 0.000 0.210 461 A C 0.497 178.102 177.584 0.035 0.000 2.137 461 A CA 0.157 52.217 52.037 0.038 0.000 1.008 461 A CB -0.256 18.776 19.000 0.053 0.000 1.306 461 A HN 0.353 nan 8.150 nan 0.000 0.632 462 V N 2.815 122.753 119.914 0.040 0.000 2.583 462 V HA 0.127 4.247 4.120 -0.000 0.000 0.287 462 V C 1.775 177.885 176.094 0.027 0.000 1.051 462 V CA 0.414 62.735 62.300 0.035 0.000 1.010 462 V CB 1.138 32.988 31.823 0.044 0.000 0.988 462 V HN 0.651 nan 8.190 nan 0.000 0.478 463 L N 3.326 124.562 121.223 0.021 0.000 2.012 463 L HA -0.097 4.243 4.340 -0.000 0.000 0.210 463 L C 1.589 178.467 176.870 0.014 0.000 1.073 463 L CA 2.241 57.090 54.840 0.015 0.000 0.748 463 L CB -1.072 40.995 42.059 0.013 0.000 0.891 463 L HN 0.835 nan 8.230 nan 0.000 0.431 464 T N -1.091 113.473 114.554 0.017 0.000 13.322 464 T HA -0.397 3.953 4.350 -0.000 0.000 0.419 464 T C 0.665 175.371 174.700 0.011 0.000 1.441 464 T CA 2.376 64.486 62.100 0.016 0.000 2.359 464 T CB -1.069 67.809 68.868 0.015 0.000 2.804 464 T HN 0.637 nan 8.240 nan 0.000 0.600 465 K N 0.000 120.405 120.400 0.009 0.000 2.780 465 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 465 K CA 0.000 56.291 56.287 0.007 0.000 0.838 465 K CB 0.000 32.504 32.500 0.006 0.000 1.064 465 K HN 0.000 nan 8.250 nan 0.000 0.543