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 1tmo_1_A DATA FIRST_RESID 5 DATA SEQUENCE NEDEWLTTGS HFGAFKMKRK NGVIAEVKPF DLDKYPTDMI NGIRGMVYNP DATA SEQUENCE SRVRYPMVRL DFLLKGHKSN THQRGDFRFV RVTWDKALTL FKHSLDEVQT DATA SEQUENCE QYGPSGLHAG QTGWRATGQL HSSTSHMQRA VGMHGNYVKK IGDYSTGAGQ DATA SEQUENCE TILPYVLGST EVYAQGTSWP LILEHSDTIV LWSNDPYKNL QVGWNAETHE DATA SEQUENCE SFAYLAQLKE KVKQGKIRVI SIDPVVTKTQ AYLGCEQLYV NPQTDVTLML DATA SEQUENCE AIAHEMISKK LYDDKFIQGY SLGFEEFVPY VMGTKDGVAK TPEWAAPICG DATA SEQUENCE VEAHVIRDLA KTLVKGRTQF MMGWCIQRQQ HGEQPYWMAA VLATMIGQIG DATA SEQUENCE LPGGGISYGH HYSSIGVPSS GAAAPGAFPR NLDENQKPLF DSSDFKGASS DATA SEQUENCE TIPVARWIDA ILEPGKTIDA NGSKVVYPDI KMMIFSGNNP WNHHQDRNRM DATA SEQUENCE KQAFHKLECV VTVDVNWTAT CRFSDIVLPA CTTYERNDID VYGAYANRGI DATA SEQUENCE LAMQKMVEPL FDSLSDFEIF TRFAAVLGKE KEYTRNMGEM EWLETLYNEC DATA SEQUENCE KAANAGKFEM PDFATFWKQG YVHFGDGEVW TRHADFRNDP EINPLGTPSG DATA SEQUENCE LIEIFSRKID QFGYDDCKGH PTWMEKTERS HGGPGSDKHP IWLQSCHPDK DATA SEQUENCE RLHSQMCESR EYRETYAVNG REPVYISPVD AKARGIKDGD IVRVFNDRGQ DATA SEQUENCE LLAGAVVSDN FPKGIVRIHE GAWYGPVGKD GSTEGGAEVG ALCSYGDPNT DATA SEQUENCE LTLDIGTSKL AQACSAYTCL VEFEKYQGKV PKVSSFDGPI EVEI 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 5 N HA 0.000 nan 4.740 nan 0.000 0.220 5 N C 0.000 175.445 175.510 -0.108 0.000 1.280 5 N CA 0.000 53.001 53.050 -0.082 0.000 0.885 5 N CB 0.000 38.439 38.487 -0.079 0.000 1.341 6 E N 1.571 121.715 120.200 -0.093 0.000 2.109 6 E HA 0.355 4.703 4.350 -0.003 0.000 0.278 6 E C -0.759 175.774 176.600 -0.112 0.000 0.954 6 E CA -0.403 55.931 56.400 -0.110 0.000 0.779 6 E CB 0.873 30.534 29.700 -0.066 0.000 1.093 6 E HN 0.484 nan 8.360 nan 0.000 0.401 7 D N 1.178 121.475 120.400 -0.173 0.000 2.732 7 D HA 0.213 4.851 4.640 -0.003 0.000 0.292 7 D C -0.374 175.820 176.300 -0.176 0.000 1.135 7 D CA -0.787 53.126 54.000 -0.146 0.000 1.071 7 D CB 0.978 41.693 40.800 -0.142 0.000 1.457 7 D HN 0.319 nan 8.370 nan 0.000 0.547 8 E N -0.413 119.729 120.200 -0.097 0.000 2.383 8 E HA 0.128 4.476 4.350 -0.003 0.000 0.264 8 E C -0.910 175.648 176.600 -0.070 0.000 1.050 8 E CA -0.545 55.846 56.400 -0.015 0.000 0.896 8 E CB 0.623 30.335 29.700 0.020 0.000 0.982 8 E HN 0.266 nan 8.360 nan 0.000 0.424 9 W N 3.244 124.519 121.300 -0.042 0.000 2.184 9 W HA 0.266 4.924 4.660 -0.003 0.000 0.338 9 W C -0.042 176.445 176.519 -0.053 0.000 1.257 9 W CA -0.230 57.089 57.345 -0.043 0.000 1.243 9 W CB 0.370 29.808 29.460 -0.036 0.000 1.122 9 W HN 0.332 nan 8.180 nan 0.000 0.585 10 L N 1.605 122.917 121.223 0.148 0.000 2.322 10 L HA 0.594 4.932 4.340 -0.003 0.000 0.269 10 L C 0.163 177.066 176.870 0.054 0.000 1.012 10 L CA -1.016 53.847 54.840 0.038 0.000 0.815 10 L CB 1.675 43.722 42.059 -0.020 0.000 1.295 10 L HN 0.259 nan 8.230 nan 0.000 0.438 11 T N -0.152 114.370 114.554 -0.054 0.000 2.902 11 T HA 0.589 4.937 4.350 -0.003 0.000 0.283 11 T C -0.181 174.453 174.700 -0.110 0.000 1.009 11 T CA -0.350 61.703 62.100 -0.078 0.000 1.051 11 T CB 2.074 70.844 68.868 -0.164 0.000 0.999 11 T HN 0.695 nan 8.240 nan 0.000 0.474 12 T N -0.022 114.473 114.554 -0.099 0.000 2.658 12 T HA 0.695 5.043 4.350 -0.003 0.000 0.305 12 T C -1.427 173.202 174.700 -0.119 0.000 1.551 12 T CA -0.099 61.978 62.100 -0.038 0.000 0.985 12 T CB 1.280 70.242 68.868 0.156 0.000 1.731 12 T HN 1.050 nan 8.240 nan 0.000 0.486 13 G N 0.465 109.243 108.800 -0.038 0.000 2.623 13 G HA2 0.677 4.635 3.960 -0.003 0.000 0.290 13 G HA3 0.677 4.635 3.960 -0.003 0.000 0.290 13 G C -1.011 173.878 174.900 -0.018 0.000 1.437 13 G CA 0.286 45.286 45.100 -0.165 0.000 0.798 13 G HN 1.495 nan 8.290 nan 0.000 0.488 14 S N -1.753 113.915 115.700 -0.052 0.000 2.727 14 S HA 0.400 4.868 4.470 -0.003 0.000 0.278 14 S C 0.309 174.957 174.600 0.080 0.000 1.186 14 S CA -0.518 57.727 58.200 0.075 0.000 0.836 14 S CB 0.971 64.424 63.200 0.422 0.000 1.186 14 S HN 0.683 nan 8.310 nan 0.000 0.499 15 H N -0.584 118.577 119.070 0.152 0.000 2.545 15 H HA 0.159 4.713 4.556 -0.003 0.000 0.282 15 H C 0.363 175.646 175.328 -0.076 0.000 1.020 15 H CA 1.621 57.673 56.048 0.007 0.000 1.243 15 H CB -0.231 29.506 29.762 -0.042 0.000 1.377 15 H HN 0.484 nan 8.280 nan 0.000 0.581 16 F N -0.524 119.580 119.950 0.257 0.000 2.749 16 F HA 0.316 4.841 4.527 -0.003 0.000 0.300 16 F C 1.402 177.263 175.800 0.102 0.000 1.103 16 F CA 0.538 58.689 58.000 0.253 0.000 1.342 16 F CB 0.840 40.057 39.000 0.362 0.000 1.098 16 F HN 0.154 nan 8.300 nan 0.000 0.586 17 G N -0.132 108.665 108.800 -0.006 0.000 2.361 17 G HA2 0.405 4.363 3.960 -0.003 0.000 0.331 17 G HA3 0.405 4.363 3.960 -0.003 0.000 0.331 17 G C -1.695 172.788 174.900 -0.696 0.000 1.324 17 G CA -0.707 44.218 45.100 -0.291 0.000 0.984 17 G HN 0.298 nan 8.290 nan 0.000 0.586 18 A N -0.587 121.891 122.820 -0.571 0.000 2.306 18 A HA 0.928 5.247 4.320 -0.003 0.000 0.314 18 A C -0.749 176.460 177.584 -0.625 0.000 1.164 18 A CA -0.231 51.388 52.037 -0.696 0.000 0.822 18 A CB 0.480 18.962 19.000 -0.864 0.000 1.130 18 A HN 1.143 nan 8.150 nan 0.000 0.496 19 F N 0.189 120.097 119.950 -0.071 0.000 2.679 19 F HA 0.780 5.305 4.527 -0.003 0.000 0.341 19 F C 0.152 175.992 175.800 0.066 0.000 1.095 19 F CA -0.998 57.017 58.000 0.026 0.000 1.004 19 F CB 1.835 40.835 39.000 -0.000 0.000 1.388 19 F HN 0.412 nan 8.300 nan 0.000 0.505 20 K N 0.921 121.532 120.400 0.353 0.000 2.507 20 K HA 0.701 5.020 4.320 -0.003 0.000 0.251 20 K C -1.504 175.343 176.600 0.411 0.000 0.943 20 K CA -0.231 56.239 56.287 0.306 0.000 0.794 20 K CB 1.550 34.135 32.500 0.141 0.000 1.188 20 K HN 0.613 nan 8.250 nan 0.000 0.428 21 M N 2.582 122.408 119.600 0.376 0.000 2.619 21 M HA 0.506 4.984 4.480 -0.003 0.000 0.297 21 M C -1.135 175.116 176.300 -0.082 0.000 1.229 21 M CA -0.944 54.465 55.300 0.181 0.000 0.860 21 M CB 2.604 35.191 32.600 -0.022 0.000 1.741 21 M HN 0.491 nan 8.290 nan 0.000 0.462 22 K N 1.120 121.272 120.400 -0.414 0.000 2.426 22 K HA 0.810 5.128 4.320 -0.003 0.000 0.251 22 K C -1.589 174.796 176.600 -0.359 0.000 0.941 22 K CA -0.977 54.935 56.287 -0.625 0.000 0.808 22 K CB 2.344 34.067 32.500 -1.294 0.000 1.265 22 K HN 0.598 nan 8.250 nan 0.000 0.432 23 R N 1.530 121.864 120.500 -0.277 0.000 2.604 23 R HA 0.487 4.825 4.340 -0.003 0.000 0.287 23 R C -1.084 175.116 176.300 -0.166 0.000 0.970 23 R CA -0.827 55.166 56.100 -0.177 0.000 0.946 23 R CB 1.754 31.985 30.300 -0.115 0.000 1.127 23 R HN 0.694 nan 8.270 nan 0.000 0.473 24 K N 1.393 121.714 120.400 -0.132 0.000 2.557 24 K HA 0.190 4.508 4.320 -0.003 0.000 0.257 24 K C -0.982 175.558 176.600 -0.099 0.000 0.933 24 K CA -0.579 55.638 56.287 -0.117 0.000 0.820 24 K CB 1.149 33.572 32.500 -0.128 0.000 1.330 24 K HN 0.651 nan 8.250 nan 0.000 0.432 25 N N 1.893 120.543 118.700 -0.083 0.000 2.725 25 N HA -0.204 4.535 4.740 -0.003 0.000 0.249 25 N C 0.447 175.915 175.510 -0.071 0.000 1.103 25 N CA 1.612 54.616 53.050 -0.075 0.000 0.707 25 N CB -1.192 37.243 38.487 -0.086 0.000 1.043 25 N HN 1.112 nan 8.380 nan 0.000 0.553 26 G N -2.106 106.659 108.800 -0.059 0.000 2.155 26 G HA2 -0.279 3.679 3.960 -0.003 0.000 0.257 26 G HA3 -0.279 3.679 3.960 -0.003 0.000 0.257 26 G C 0.173 175.057 174.900 -0.026 0.000 0.983 26 G CA 1.218 46.293 45.100 -0.041 0.000 0.676 26 G HN 1.353 nan 8.290 nan 0.000 0.528 27 V N -2.882 117.003 119.914 -0.048 0.000 3.102 27 V HA 0.785 4.903 4.120 -0.003 0.000 0.312 27 V C 0.704 176.783 176.094 -0.025 0.000 1.135 27 V CA -1.904 60.386 62.300 -0.015 0.000 1.022 27 V CB 1.862 33.570 31.823 -0.191 0.000 1.056 27 V HN 0.297 nan 8.190 nan 0.000 0.436 28 I N 2.705 123.314 120.570 0.064 0.000 2.578 28 I HA 0.221 4.390 4.170 -0.003 0.000 0.286 28 I C 1.632 177.703 176.117 -0.077 0.000 1.126 28 I CA 0.676 61.971 61.300 -0.007 0.000 1.380 28 I CB 1.230 39.249 38.000 0.032 0.000 1.408 28 I HN 0.951 nan 8.210 nan 0.000 0.532 29 A N 6.782 129.524 122.820 -0.131 0.000 1.897 29 A HA -0.025 4.293 4.320 -0.003 0.000 0.215 29 A C 0.664 178.172 177.584 -0.125 0.000 1.181 29 A CA 1.051 53.002 52.037 -0.145 0.000 0.620 29 A CB 0.023 18.916 19.000 -0.179 0.000 0.821 29 A HN 0.813 nan 8.150 nan 0.000 0.443 30 E N -2.088 118.034 120.200 -0.130 0.000 2.388 30 E HA 0.513 4.861 4.350 -0.003 0.000 0.281 30 E C -1.805 174.789 176.600 -0.010 0.000 1.046 30 E CA -0.943 55.419 56.400 -0.064 0.000 0.825 30 E CB 1.187 30.889 29.700 0.003 0.000 1.243 30 E HN -0.059 nan 8.360 nan 0.000 0.438 31 V N 1.113 121.005 119.914 -0.037 0.000 2.513 31 V HA 0.606 4.724 4.120 -0.003 0.000 0.299 31 V C -0.244 175.856 176.094 0.011 0.000 1.035 31 V CA -0.652 61.601 62.300 -0.078 0.000 0.889 31 V CB 1.570 33.163 31.823 -0.383 0.000 0.988 31 V HN 0.655 nan 8.190 nan 0.000 0.440 32 K N 4.171 124.619 120.400 0.080 0.000 2.469 32 K HA 0.603 4.921 4.320 -0.003 0.000 0.254 32 K C -2.938 173.728 176.600 0.111 0.000 0.939 32 K CA -2.077 54.221 56.287 0.018 0.000 0.812 32 K CB 2.903 35.298 32.500 -0.175 0.000 1.301 32 K HN 0.358 nan 8.250 nan 0.000 0.433 33 P HA 0.035 nan 4.420 nan 0.000 0.272 33 P C -0.867 176.531 177.300 0.162 0.000 1.223 33 P CA -0.300 62.933 63.100 0.222 0.000 0.784 33 P CB 0.301 32.078 31.700 0.128 0.000 0.923 34 F N 2.444 122.402 119.950 0.013 0.000 2.506 34 F HA -0.007 4.518 4.527 -0.003 0.000 0.351 34 F C 1.618 177.367 175.800 -0.085 0.000 1.136 34 F CA 0.142 58.089 58.000 -0.089 0.000 1.298 34 F CB 0.139 39.041 39.000 -0.164 0.000 1.145 34 F HN 0.412 nan 8.300 nan 0.000 0.593 35 D N 4.013 124.009 120.400 -0.672 0.000 2.133 35 D HA -0.236 4.402 4.640 -0.003 0.000 0.195 35 D C 2.073 178.202 176.300 -0.285 0.000 0.997 35 D CA 1.855 55.566 54.000 -0.481 0.000 0.840 35 D CB 0.013 40.474 40.800 -0.565 0.000 0.947 35 D HN 0.513 nan 8.370 nan 0.000 0.452 36 L N 0.365 121.427 121.223 -0.269 0.000 2.552 36 L HA 0.013 4.351 4.340 -0.003 0.000 0.227 36 L C 0.732 177.674 176.870 0.121 0.000 1.146 36 L CA 0.081 54.915 54.840 -0.010 0.000 0.858 36 L CB -0.182 41.947 42.059 0.117 0.000 0.969 36 L HN -0.165 nan 8.230 nan 0.000 0.451 37 D N 0.653 121.142 120.400 0.147 0.000 2.347 37 D HA 0.086 4.725 4.640 -0.003 0.000 0.235 37 D C 0.763 177.128 176.300 0.107 0.000 1.149 37 D CA -0.057 54.067 54.000 0.207 0.000 0.850 37 D CB 1.049 42.020 40.800 0.284 0.000 1.061 37 D HN -0.173 nan 8.370 nan 0.000 0.487 38 K N 2.827 123.289 120.400 0.104 0.000 2.367 38 K HA 0.034 4.352 4.320 -0.003 0.000 0.194 38 K C -0.293 176.103 176.600 -0.340 0.000 1.027 38 K CA 0.228 56.444 56.287 -0.118 0.000 1.075 38 K CB 0.410 32.805 32.500 -0.176 0.000 0.845 38 K HN 0.480 nan 8.250 nan 0.000 0.529 39 Y N 1.800 122.088 120.300 -0.020 0.000 2.662 39 Y HA 0.250 4.798 4.550 -0.003 0.000 0.358 39 Y C -2.328 173.361 175.900 -0.351 0.000 1.041 39 Y CA -2.628 55.359 58.100 -0.189 0.000 1.184 39 Y CB 1.100 39.421 38.460 -0.232 0.000 1.114 39 Y HN -0.055 nan 8.280 nan 0.000 0.650 40 P HA 0.129 nan 4.420 nan 0.000 0.276 40 P C 0.180 177.333 177.300 -0.245 0.000 1.252 40 P CA -0.266 62.784 63.100 -0.084 0.000 0.802 40 P CB 1.774 33.520 31.700 0.076 0.000 1.035 41 T N -0.826 113.647 114.554 -0.136 0.000 2.913 41 T HA 0.096 4.444 4.350 -0.003 0.000 0.287 41 T C 1.115 175.810 174.700 -0.010 0.000 1.008 41 T CA -0.131 61.903 62.100 -0.110 0.000 1.067 41 T CB 0.157 69.045 68.868 0.034 0.000 0.996 41 T HN 0.381 nan 8.240 nan 0.000 0.513 42 D N 2.392 122.789 120.400 -0.005 0.000 2.218 42 D HA -0.077 4.561 4.640 -0.003 0.000 0.204 42 D C 1.880 178.190 176.300 0.017 0.000 0.976 42 D CA 1.438 55.463 54.000 0.041 0.000 0.853 42 D CB -0.167 40.690 40.800 0.095 0.000 0.939 42 D HN 0.647 nan 8.370 nan 0.000 0.481 43 M N 0.066 119.681 119.600 0.025 0.000 2.706 43 M HA -0.056 4.422 4.480 -0.003 0.000 0.251 43 M C 1.961 178.073 176.300 -0.314 0.000 1.070 43 M CA 0.381 55.588 55.300 -0.155 0.000 1.073 43 M CB -0.153 32.491 32.600 0.074 0.000 1.449 43 M HN 0.215 nan 8.290 nan 0.000 0.531 44 I N 0.803 121.274 120.570 -0.165 0.000 2.614 44 I HA -0.265 3.903 4.170 -0.003 0.000 0.258 44 I C 1.392 177.307 176.117 -0.337 0.000 1.189 44 I CA 1.113 62.278 61.300 -0.225 0.000 1.462 44 I CB -0.104 37.851 38.000 -0.075 0.000 1.092 44 I HN 0.342 nan 8.210 nan 0.000 0.442 45 N N 0.829 119.326 118.700 -0.338 0.000 2.521 45 N HA 0.011 4.749 4.740 -0.003 0.000 0.188 45 N C 1.466 176.699 175.510 -0.461 0.000 1.146 45 N CA 1.006 53.871 53.050 -0.308 0.000 0.893 45 N CB 0.303 38.711 38.487 -0.131 0.000 0.975 45 N HN 0.485 nan 8.380 nan 0.000 0.451 46 G N 0.121 108.498 108.800 -0.704 0.000 2.939 46 G HA2 0.069 4.027 3.960 -0.003 0.000 0.216 46 G HA3 0.069 4.027 3.960 -0.003 0.000 0.216 46 G C 1.467 176.154 174.900 -0.355 0.000 1.125 46 G CA -0.192 44.548 45.100 -0.600 0.000 0.766 46 G HN 0.037 nan 8.290 nan 0.000 0.541 47 I N 1.620 121.953 120.570 -0.394 0.000 2.087 47 I HA -0.217 3.951 4.170 -0.003 0.000 0.240 47 I C 2.692 178.698 176.117 -0.186 0.000 1.054 47 I CA 1.378 62.485 61.300 -0.321 0.000 1.311 47 I CB -1.067 36.643 38.000 -0.483 0.000 1.024 47 I HN 0.169 nan 8.210 nan 0.000 0.402 48 R N 0.435 120.828 120.500 -0.178 0.000 2.139 48 R HA -0.144 4.194 4.340 -0.003 0.000 0.243 48 R C 2.345 178.676 176.300 0.053 0.000 1.145 48 R CA 1.371 57.445 56.100 -0.044 0.000 0.976 48 R CB -0.706 29.578 30.300 -0.028 0.000 0.866 48 R HN 0.542 nan 8.270 nan 0.000 0.449 49 G N 0.179 108.975 108.800 -0.005 0.000 2.484 49 G HA2 -0.193 3.765 3.960 -0.003 0.000 0.218 49 G HA3 -0.193 3.765 3.960 -0.003 0.000 0.218 49 G C 1.337 176.250 174.900 0.021 0.000 1.130 49 G CA 0.177 45.291 45.100 0.024 0.000 0.784 49 G HN 0.182 nan 8.290 nan 0.000 0.543 50 M N -0.010 119.593 119.600 0.004 0.000 2.319 50 M HA 0.049 4.527 4.480 -0.003 0.000 0.265 50 M C 2.491 178.807 176.300 0.026 0.000 1.068 50 M CA 0.777 56.098 55.300 0.035 0.000 1.118 50 M CB 0.099 32.734 32.600 0.058 0.000 1.395 50 M HN 0.198 nan 8.290 nan 0.000 0.435 51 V N -1.263 118.625 119.914 -0.044 0.000 2.795 51 V HA -0.047 4.071 4.120 -0.003 0.000 0.243 51 V C -0.183 175.719 176.094 -0.320 0.000 1.069 51 V CA 0.656 62.828 62.300 -0.212 0.000 1.089 51 V CB 0.082 31.698 31.823 -0.346 0.000 0.756 51 V HN 0.308 nan 8.190 nan 0.000 0.471 52 Y N 3.362 123.677 120.300 0.024 0.000 2.717 52 Y HA 0.588 5.136 4.550 -0.003 0.000 0.329 52 Y C 0.083 175.996 175.900 0.021 0.000 1.017 52 Y CA -0.702 57.408 58.100 0.017 0.000 1.275 52 Y CB 0.107 38.557 38.460 -0.017 0.000 1.109 52 Y HN 0.640 nan 8.280 nan 0.000 0.511 53 N N 0.575 119.369 118.700 0.156 0.000 2.610 53 N HA 0.532 5.270 4.740 -0.003 0.000 0.264 53 N C -2.797 172.780 175.510 0.113 0.000 1.348 53 N CA -2.042 51.068 53.050 0.100 0.000 0.819 53 N CB 1.956 40.476 38.487 0.056 0.000 1.521 53 N HN -0.099 nan 8.380 nan 0.000 0.497 54 P HA 0.091 nan 4.420 nan 0.000 0.233 54 P C -0.083 177.277 177.300 0.100 0.000 1.167 54 P CA 0.656 63.797 63.100 0.068 0.000 0.770 54 P CB 0.253 31.972 31.700 0.031 0.000 0.837 55 S N -0.718 115.079 115.700 0.161 0.000 2.614 55 S HA 0.154 4.622 4.470 -0.003 0.000 0.230 55 S C 0.749 175.526 174.600 0.296 0.000 0.952 55 S CA -0.297 58.071 58.200 0.280 0.000 0.949 55 S CB -0.247 63.216 63.200 0.439 0.000 0.786 55 S HN 0.033 nan 8.310 nan 0.000 0.478 56 R N 1.852 122.470 120.500 0.196 0.000 2.623 56 R HA 0.156 4.495 4.340 -0.003 0.000 0.271 56 R C -0.400 175.955 176.300 0.092 0.000 1.043 56 R CA -0.047 56.145 56.100 0.153 0.000 1.083 56 R CB 0.303 30.727 30.300 0.207 0.000 0.974 56 R HN 0.035 nan 8.270 nan 0.000 0.436 57 V N 6.191 126.090 119.914 -0.024 0.000 2.372 57 V HA 0.148 4.266 4.120 -0.003 0.000 0.261 57 V C 1.720 177.662 176.094 -0.252 0.000 1.055 57 V CA -0.034 62.149 62.300 -0.195 0.000 0.930 57 V CB 0.891 32.456 31.823 -0.431 0.000 1.031 57 V HN 0.676 nan 8.190 nan 0.000 0.479 58 R N 3.415 123.597 120.500 -0.530 0.000 2.073 58 R HA 0.061 4.399 4.340 -0.003 0.000 0.229 58 R C -0.183 175.766 176.300 -0.585 0.000 1.120 58 R CA 1.312 56.857 56.100 -0.925 0.000 0.967 58 R CB 0.140 29.410 30.300 -1.716 0.000 0.862 58 R HN 0.794 nan 8.270 nan 0.000 0.436 59 Y N -3.491 116.748 120.300 -0.102 0.000 2.689 59 Y HA 0.476 5.024 4.550 -0.003 0.000 0.333 59 Y C -2.995 172.742 175.900 -0.272 0.000 1.208 59 Y CA -4.417 53.588 58.100 -0.159 0.000 1.055 59 Y CB -0.254 38.136 38.460 -0.116 0.000 1.304 59 Y HN -0.247 nan 8.280 nan 0.000 0.455 60 P HA 0.344 nan 4.420 nan 0.000 0.268 60 P C -0.799 176.442 177.300 -0.098 0.000 1.205 60 P CA 0.307 63.181 63.100 -0.377 0.000 0.771 60 P CB 0.475 31.744 31.700 -0.719 0.000 0.858 61 M N 1.327 120.913 119.600 -0.022 0.000 2.575 61 M HA 0.503 4.981 4.480 -0.003 0.000 0.284 61 M C -1.234 175.202 176.300 0.226 0.000 1.253 61 M CA -1.023 54.369 55.300 0.153 0.000 0.861 61 M CB 2.642 35.427 32.600 0.309 0.000 1.733 61 M HN -0.080 nan 8.290 nan 0.000 0.462 62 V N 0.870 120.965 119.914 0.302 0.000 2.789 62 V HA 0.503 4.621 4.120 -0.003 0.000 0.311 62 V C -0.297 175.931 176.094 0.224 0.000 1.073 62 V CA -0.925 61.532 62.300 0.261 0.000 0.921 62 V CB 2.041 33.967 31.823 0.171 0.000 1.009 62 V HN 0.857 nan 8.190 nan 0.000 0.426 63 R N 2.569 123.066 120.500 -0.006 0.000 2.570 63 R HA 0.198 4.537 4.340 -0.003 0.000 0.277 63 R C 1.180 177.396 176.300 -0.139 0.000 1.039 63 R CA -0.125 55.708 56.100 -0.445 0.000 1.065 63 R CB 0.346 30.372 30.300 -0.458 0.000 0.964 63 R HN 0.849 nan 8.270 nan 0.000 0.428 64 L N 2.993 124.103 121.223 -0.189 0.000 1.957 64 L HA -0.331 4.007 4.340 -0.003 0.000 0.228 64 L C 1.489 178.351 176.870 -0.012 0.000 1.086 64 L CA 2.366 57.164 54.840 -0.070 0.000 0.796 64 L CB -0.388 41.619 42.059 -0.087 0.000 0.900 64 L HN 0.819 nan 8.230 nan 0.000 0.439 65 D N -1.252 119.135 120.400 -0.021 0.000 2.218 65 D HA -0.233 4.405 4.640 -0.003 0.000 0.204 65 D C 1.864 178.190 176.300 0.042 0.000 0.976 65 D CA 0.817 54.818 54.000 0.001 0.000 0.853 65 D CB -0.069 40.722 40.800 -0.014 0.000 0.939 65 D HN 0.346 nan 8.370 nan 0.000 0.481 66 F N 0.140 120.062 119.950 -0.046 0.000 2.186 66 F HA -0.059 4.466 4.527 -0.003 0.000 0.299 66 F C 1.916 177.729 175.800 0.022 0.000 1.090 66 F CA 0.641 58.638 58.000 -0.005 0.000 1.307 66 F CB -0.215 38.779 39.000 -0.009 0.000 1.019 66 F HN -0.001 nan 8.300 nan 0.000 0.489 67 L N -0.202 121.149 121.223 0.212 0.000 2.046 67 L HA -0.162 4.176 4.340 -0.003 0.000 0.208 67 L C 1.869 178.757 176.870 0.030 0.000 1.077 67 L CA 1.687 56.611 54.840 0.140 0.000 0.747 67 L CB -0.884 41.245 42.059 0.116 0.000 0.896 67 L HN 0.138 nan 8.230 nan 0.000 0.432 68 L N -0.840 120.384 121.223 0.001 0.000 2.131 68 L HA -0.057 4.281 4.340 -0.003 0.000 0.206 68 L C 2.097 178.932 176.870 -0.057 0.000 1.087 68 L CA 1.637 56.463 54.840 -0.023 0.000 0.767 68 L CB -0.505 41.542 42.059 -0.020 0.000 0.917 68 L HN 0.254 nan 8.230 nan 0.000 0.441 69 K N -1.665 118.676 120.400 -0.099 0.000 2.438 69 K HA 0.398 4.716 4.320 -0.003 0.000 0.206 69 K C 0.947 177.420 176.600 -0.211 0.000 1.081 69 K CA 0.406 56.619 56.287 -0.123 0.000 1.053 69 K CB 0.865 33.312 32.500 -0.088 0.000 0.908 69 K HN 0.214 nan 8.250 nan 0.000 0.556 70 G N 1.698 110.257 108.800 -0.402 0.000 2.574 70 G HA2 -0.369 3.589 3.960 -0.003 0.000 0.282 70 G HA3 -0.369 3.589 3.960 -0.003 0.000 0.282 70 G C 0.284 174.865 174.900 -0.531 0.000 1.257 70 G CA 0.477 45.211 45.100 -0.610 0.000 0.956 70 G HN 0.430 nan 8.290 nan 0.000 0.560 71 H N 0.758 119.605 119.070 -0.372 0.000 2.568 71 H HA 0.106 4.660 4.556 -0.003 0.000 0.281 71 H C 2.096 177.395 175.328 -0.048 0.000 1.028 71 H CA 1.533 57.517 56.048 -0.106 0.000 1.199 71 H CB 0.069 29.847 29.762 0.026 0.000 1.352 71 H HN 0.415 nan 8.280 nan 0.000 0.605 72 K N 0.535 120.941 120.400 0.010 0.000 2.498 72 K HA 0.118 4.437 4.320 -0.003 0.000 0.207 72 K C 0.260 176.842 176.600 -0.029 0.000 1.033 72 K CA -0.169 56.119 56.287 0.002 0.000 1.138 72 K CB 0.706 33.199 32.500 -0.012 0.000 0.860 72 K HN 0.188 nan 8.250 nan 0.000 0.490 73 S N 0.178 115.855 115.700 -0.037 0.000 2.624 73 S HA 0.113 4.581 4.470 -0.003 0.000 0.263 73 S C 0.221 174.811 174.600 -0.017 0.000 1.287 73 S CA -0.853 57.331 58.200 -0.027 0.000 0.990 73 S CB 0.793 63.995 63.200 0.004 0.000 0.950 73 S HN 0.148 nan 8.310 nan 0.000 0.561 74 N N 1.172 119.851 118.700 -0.035 0.000 2.448 74 N HA 0.090 4.828 4.740 -0.003 0.000 0.250 74 N C 1.254 176.754 175.510 -0.018 0.000 1.136 74 N CA 0.168 53.168 53.050 -0.084 0.000 0.953 74 N CB 0.396 38.821 38.487 -0.104 0.000 1.251 74 N HN 0.803 nan 8.380 nan 0.000 0.502 75 T N 0.131 114.699 114.554 0.024 0.000 3.007 75 T HA -0.103 4.246 4.350 -0.003 0.000 0.270 75 T C 1.241 176.072 174.700 0.219 0.000 1.107 75 T CA 1.080 63.269 62.100 0.149 0.000 1.118 75 T CB -0.564 68.432 68.868 0.214 0.000 0.889 75 T HN 0.626 nan 8.240 nan 0.000 0.506 76 H N 1.069 120.072 119.070 -0.112 0.000 2.518 76 H HA 0.022 4.577 4.556 -0.003 0.000 0.289 76 H C 2.205 177.545 175.328 0.019 0.000 1.051 76 H CA 0.920 56.891 56.048 -0.128 0.000 1.280 76 H CB 0.070 29.719 29.762 -0.189 0.000 1.380 76 H HN 0.553 nan 8.280 nan 0.000 0.566 77 Q N 0.832 120.696 119.800 0.107 0.000 2.432 77 Q HA 0.035 4.373 4.340 -0.003 0.000 0.205 77 Q C 0.364 176.322 176.000 -0.070 0.000 0.945 77 Q CA -0.014 55.795 55.803 0.010 0.000 0.924 77 Q CB 0.334 29.054 28.738 -0.030 0.000 1.016 77 Q HN 0.353 nan 8.270 nan 0.000 0.503 78 R N 0.175 120.655 120.500 -0.033 0.000 2.502 78 R HA 0.092 4.430 4.340 -0.003 0.000 0.292 78 R C 0.802 176.790 176.300 -0.520 0.000 0.998 78 R CA 0.960 56.943 56.100 -0.195 0.000 1.056 78 R CB 0.176 30.483 30.300 0.011 0.000 0.939 78 R HN 0.392 nan 8.270 nan 0.000 0.411 79 G N 2.550 110.824 108.800 -0.877 0.000 2.231 79 G HA2 -0.252 3.706 3.960 -0.003 0.000 0.206 79 G HA3 -0.252 3.706 3.960 -0.003 0.000 0.206 79 G C 0.485 175.023 174.900 -0.602 0.000 0.996 79 G CA 0.184 44.543 45.100 -1.234 0.000 0.645 79 G HN 0.737 nan 8.290 nan 0.000 0.498 80 D N -0.427 119.768 120.400 -0.342 0.000 2.347 80 D HA 0.190 4.829 4.640 -0.003 0.000 0.215 80 D C 1.347 177.646 176.300 -0.003 0.000 0.976 80 D CA 0.295 54.202 54.000 -0.155 0.000 0.884 80 D CB -0.238 40.501 40.800 -0.102 0.000 0.915 80 D HN 0.695 nan 8.370 nan 0.000 0.526 81 F N -0.094 119.755 119.950 -0.169 0.000 2.746 81 F HA -0.223 4.303 4.527 -0.003 0.000 0.315 81 F C -0.370 175.451 175.800 0.035 0.000 0.666 81 F CA -0.006 57.971 58.000 -0.037 0.000 1.381 81 F CB -1.726 37.201 39.000 -0.123 0.000 1.739 81 F HN 0.055 nan 8.300 nan 0.000 0.322 82 R N 0.389 120.932 120.500 0.072 0.000 2.202 82 R HA 0.559 4.897 4.340 -0.003 0.000 0.334 82 R C -0.610 175.592 176.300 -0.163 0.000 1.036 82 R CA -0.113 55.984 56.100 -0.006 0.000 0.878 82 R CB 0.603 30.866 30.300 -0.061 0.000 1.067 82 R HN 0.001 nan 8.270 nan 0.000 0.457 83 F N 0.831 120.763 119.950 -0.029 0.000 2.593 83 F HA 0.484 5.009 4.527 -0.003 0.000 0.320 83 F C -0.057 175.745 175.800 0.004 0.000 1.060 83 F CA -1.062 56.948 58.000 0.017 0.000 0.940 83 F CB 1.787 40.829 39.000 0.071 0.000 1.268 83 F HN 0.013 nan 8.300 nan 0.000 0.475 84 V N 1.874 121.913 119.914 0.209 0.000 2.495 84 V HA 0.478 4.596 4.120 -0.003 0.000 0.298 84 V C -0.167 175.983 176.094 0.093 0.000 1.031 84 V CA -1.066 61.294 62.300 0.100 0.000 0.871 84 V CB 1.728 33.584 31.823 0.055 0.000 0.988 84 V HN 0.689 nan 8.190 nan 0.000 0.432 85 R N 3.151 123.650 120.500 -0.002 0.000 2.539 85 R HA 0.660 4.998 4.340 -0.003 0.000 0.275 85 R C -0.712 175.532 176.300 -0.093 0.000 1.077 85 R CA -0.120 55.921 56.100 -0.099 0.000 1.097 85 R CB 1.267 31.354 30.300 -0.355 0.000 1.018 85 R HN 0.702 nan 8.270 nan 0.000 0.483 86 V N -0.828 119.021 119.914 -0.108 0.000 3.181 86 V HA 0.539 4.657 4.120 -0.003 0.000 0.308 86 V C -0.096 175.928 176.094 -0.117 0.000 1.214 86 V CA -0.830 61.422 62.300 -0.081 0.000 1.053 86 V CB 1.490 33.295 31.823 -0.029 0.000 1.069 86 V HN 0.962 nan 8.190 nan 0.000 0.441 87 T N -2.610 111.910 114.554 -0.057 0.000 2.788 87 T HA 0.326 4.674 4.350 -0.003 0.000 0.280 87 T C 0.477 175.172 174.700 -0.010 0.000 0.984 87 T CA 0.259 62.347 62.100 -0.019 0.000 0.972 87 T CB 0.904 69.803 68.868 0.051 0.000 1.039 87 T HN 0.795 nan 8.240 nan 0.000 0.530 88 W N 0.765 122.081 121.300 0.027 0.000 2.355 88 W HA -0.064 4.594 4.660 -0.003 0.000 0.309 88 W C 2.559 179.094 176.519 0.027 0.000 1.206 88 W CA 1.362 58.720 57.345 0.023 0.000 1.284 88 W CB -0.178 29.288 29.460 0.010 0.000 1.145 88 W HN 0.927 nan 8.180 nan 0.000 0.502 89 D N 0.431 120.982 120.400 0.252 0.000 2.104 89 D HA -0.212 4.426 4.640 -0.003 0.000 0.194 89 D C 1.542 177.911 176.300 0.114 0.000 0.994 89 D CA 1.446 55.538 54.000 0.153 0.000 0.830 89 D CB -0.855 40.007 40.800 0.103 0.000 0.959 89 D HN 0.226 nan 8.370 nan 0.000 0.452 90 K N 0.820 121.276 120.400 0.094 0.000 2.057 90 K HA -0.043 4.275 4.320 -0.003 0.000 0.207 90 K C 2.485 179.139 176.600 0.089 0.000 1.049 90 K CA 1.286 57.618 56.287 0.076 0.000 0.931 90 K CB -0.219 32.315 32.500 0.057 0.000 0.714 90 K HN 0.183 nan 8.250 nan 0.000 0.440 91 A N 1.394 124.262 122.820 0.080 0.000 1.933 91 A HA -0.123 4.195 4.320 -0.003 0.000 0.218 91 A C 2.109 179.800 177.584 0.180 0.000 1.175 91 A CA 1.256 53.340 52.037 0.079 0.000 0.628 91 A CB -0.548 18.427 19.000 -0.042 0.000 0.814 91 A HN 0.158 nan 8.150 nan 0.000 0.444 92 L N -0.987 120.371 121.223 0.224 0.000 2.156 92 L HA -0.102 4.236 4.340 -0.003 0.000 0.208 92 L C 2.693 179.672 176.870 0.182 0.000 1.095 92 L CA 1.497 56.516 54.840 0.298 0.000 0.770 92 L CB -0.705 41.522 42.059 0.279 0.000 0.914 92 L HN 0.322 nan 8.230 nan 0.000 0.439 93 T N 0.162 114.750 114.554 0.056 0.000 2.777 93 T HA -0.167 4.181 4.350 -0.003 0.000 0.266 93 T C 1.858 176.424 174.700 -0.224 0.000 1.040 93 T CA 1.085 63.096 62.100 -0.148 0.000 1.141 93 T CB -0.162 68.639 68.868 -0.113 0.000 0.868 93 T HN 0.047 nan 8.240 nan 0.000 0.444 94 L N 0.673 121.928 121.223 0.052 0.000 2.017 94 L HA 0.045 4.383 4.340 -0.003 0.000 0.208 94 L C 2.033 179.098 176.870 0.324 0.000 1.073 94 L CA 1.458 56.422 54.840 0.206 0.000 0.745 94 L CB -0.936 41.276 42.059 0.255 0.000 0.894 94 L HN 0.170 nan 8.230 nan 0.000 0.432 95 F N 0.903 120.933 119.950 0.134 0.000 2.043 95 F HA -0.302 4.223 4.527 -0.003 0.000 0.297 95 F C 2.575 178.487 175.800 0.186 0.000 1.121 95 F CA 2.213 60.309 58.000 0.160 0.000 1.199 95 F CB -0.836 38.262 39.000 0.164 0.000 0.968 95 F HN 0.161 nan 8.300 nan 0.000 0.478 96 K N -0.828 119.679 120.400 0.180 0.000 2.009 96 K HA -0.246 4.072 4.320 -0.003 0.000 0.210 96 K C 2.120 178.800 176.600 0.133 0.000 1.049 96 K CA 1.852 58.147 56.287 0.012 0.000 0.929 96 K CB -0.521 31.927 32.500 -0.087 0.000 0.714 96 K HN 0.304 nan 8.250 nan 0.000 0.440 97 H N 0.219 119.377 119.070 0.148 0.000 2.390 97 H HA -0.081 4.473 4.556 -0.003 0.000 0.298 97 H C 2.356 177.761 175.328 0.130 0.000 1.106 97 H CA 1.553 57.678 56.048 0.129 0.000 1.297 97 H CB -0.427 29.404 29.762 0.115 0.000 1.375 97 H HN 0.195 nan 8.280 nan 0.000 0.509 98 S N -0.010 115.894 115.700 0.340 0.000 2.383 98 S HA -0.031 4.437 4.470 -0.003 0.000 0.227 98 S C 2.395 177.145 174.600 0.250 0.000 1.026 98 S CA 0.476 58.887 58.200 0.351 0.000 0.981 98 S CB -0.102 63.424 63.200 0.543 0.000 0.818 98 S HN 0.260 nan 8.310 nan 0.000 0.472 99 L N 1.035 122.340 121.223 0.138 0.000 2.141 99 L HA -0.103 4.235 4.340 -0.003 0.000 0.209 99 L C 2.040 178.971 176.870 0.101 0.000 1.094 99 L CA 0.841 55.664 54.840 -0.028 0.000 0.763 99 L CB -0.492 41.246 42.059 -0.534 0.000 0.908 99 L HN 0.178 nan 8.230 nan 0.000 0.437 100 D N 0.019 120.537 120.400 0.198 0.000 2.084 100 D HA -0.218 4.420 4.640 -0.003 0.000 0.196 100 D C 2.016 178.382 176.300 0.110 0.000 0.985 100 D CA 1.170 55.328 54.000 0.262 0.000 0.826 100 D CB 0.020 40.996 40.800 0.293 0.000 0.978 100 D HN 0.304 nan 8.370 nan 0.000 0.456 101 E N 0.312 120.554 120.200 0.070 0.000 2.085 101 E HA -0.154 4.194 4.350 -0.003 0.000 0.194 101 E C 2.052 178.663 176.600 0.019 0.000 0.994 101 E CA 0.913 57.308 56.400 -0.008 0.000 0.801 101 E CB 0.166 29.783 29.700 -0.138 0.000 0.743 101 E HN 0.013 nan 8.360 nan 0.000 0.453 102 V N 1.105 121.085 119.914 0.110 0.000 2.379 102 V HA -0.216 3.902 4.120 -0.003 0.000 0.245 102 V C 2.425 178.557 176.094 0.063 0.000 1.044 102 V CA 1.509 63.926 62.300 0.196 0.000 1.036 102 V CB -0.427 31.544 31.823 0.247 0.000 0.664 102 V HN 0.295 nan 8.190 nan 0.000 0.453 103 Q N -0.321 119.414 119.800 -0.109 0.000 2.170 103 Q HA -0.150 4.188 4.340 -0.003 0.000 0.203 103 Q C 2.333 178.212 176.000 -0.203 0.000 0.976 103 Q CA 2.002 57.608 55.803 -0.328 0.000 0.858 103 Q CB -0.725 27.379 28.738 -1.057 0.000 0.907 103 Q HN 0.609 nan 8.270 nan 0.000 0.433 104 T N 1.237 115.726 114.554 -0.108 0.000 2.698 104 T HA -0.094 4.254 4.350 -0.003 0.000 0.260 104 T C 1.801 176.447 174.700 -0.090 0.000 1.044 104 T CA 0.942 63.038 62.100 -0.006 0.000 1.149 104 T CB 0.035 68.927 68.868 0.039 0.000 0.864 104 T HN 0.208 nan 8.240 nan 0.000 0.419 105 Q N -0.298 119.378 119.800 -0.207 0.000 2.119 105 Q HA -0.022 4.316 4.340 -0.003 0.000 0.201 105 Q C 1.587 177.254 176.000 -0.555 0.000 0.972 105 Q CA 1.492 57.014 55.803 -0.468 0.000 0.847 105 Q CB -0.106 28.168 28.738 -0.774 0.000 0.903 105 Q HN 0.671 nan 8.270 nan 0.000 0.433 106 Y N -1.441 118.857 120.300 -0.003 0.000 2.652 106 Y HA 0.399 4.947 4.550 -0.003 0.000 0.275 106 Y C 1.313 177.184 175.900 -0.047 0.000 1.133 106 Y CA 0.362 58.456 58.100 -0.010 0.000 1.246 106 Y CB 0.384 38.848 38.460 0.008 0.000 1.334 106 Y HN 0.153 nan 8.280 nan 0.000 0.493 107 G N 0.877 109.717 108.800 0.067 0.000 2.549 107 G HA2 -0.163 3.795 3.960 -0.003 0.000 0.404 107 G HA3 -0.163 3.795 3.960 -0.003 0.000 0.404 107 G C -2.126 172.702 174.900 -0.119 0.000 1.292 107 G CA -0.449 44.617 45.100 -0.057 0.000 0.935 107 G HN -0.025 nan 8.290 nan 0.000 0.512 108 P HA -0.110 nan 4.420 nan 0.000 0.218 108 P C 1.834 178.930 177.300 -0.340 0.000 1.148 108 P CA 2.456 65.322 63.100 -0.390 0.000 0.822 108 P CB -0.273 30.988 31.700 -0.731 0.000 0.784 109 S N -1.194 114.288 115.700 -0.364 0.000 2.555 109 S HA 0.080 4.548 4.470 -0.003 0.000 0.230 109 S C 1.974 176.613 174.600 0.063 0.000 0.978 109 S CA 0.711 58.913 58.200 0.004 0.000 0.934 109 S CB -1.261 62.010 63.200 0.117 0.000 0.766 109 S HN 0.246 nan 8.310 nan 0.000 0.533 110 G N 0.536 109.349 108.800 0.022 0.000 3.189 110 G HA2 0.451 4.410 3.960 -0.003 0.000 0.225 110 G HA3 0.451 4.410 3.960 -0.003 0.000 0.225 110 G C -0.237 174.685 174.900 0.037 0.000 1.159 110 G CA -0.217 44.886 45.100 0.004 0.000 0.763 110 G HN 0.462 nan 8.290 nan 0.000 0.549 111 L N 0.254 121.526 121.223 0.082 0.000 2.409 111 L HA 0.594 4.932 4.340 -0.003 0.000 0.272 111 L C -1.674 175.281 176.870 0.142 0.000 0.980 111 L CA -1.248 53.651 54.840 0.099 0.000 0.826 111 L CB 2.000 44.128 42.059 0.114 0.000 1.268 111 L HN 0.089 nan 8.230 nan 0.000 0.407 112 H N 5.000 124.050 119.070 -0.033 0.000 2.762 112 H HA 0.728 5.282 4.556 -0.003 0.000 0.310 112 H C -1.128 174.045 175.328 -0.258 0.000 1.004 112 H CA 0.055 56.061 56.048 -0.070 0.000 1.267 112 H CB 1.753 31.476 29.762 -0.066 0.000 1.437 112 H HN 0.743 nan 8.280 nan 0.000 0.498 113 A N 3.434 126.085 122.820 -0.281 0.000 2.795 113 A HA 0.357 4.675 4.320 -0.003 0.000 0.282 113 A C 1.138 178.457 177.584 -0.442 0.000 0.964 113 A CA 0.129 51.873 52.037 -0.487 0.000 1.045 113 A CB -0.196 18.280 19.000 -0.873 0.000 1.174 113 A HN 0.698 nan 8.150 nan 0.000 0.493 114 G N -0.904 107.795 108.800 -0.169 0.000 3.377 114 G HA2 0.320 4.278 3.960 -0.003 0.000 0.257 114 G HA3 0.320 4.278 3.960 -0.003 0.000 0.257 114 G C 0.388 175.327 174.900 0.065 0.000 1.038 114 G CA -0.060 45.010 45.100 -0.050 0.000 0.809 114 G HN 0.449 nan 8.290 nan 0.000 0.526 115 Q N 1.883 121.754 119.800 0.118 0.000 2.332 115 Q HA 0.485 4.823 4.340 -0.003 0.000 0.263 115 Q C 0.389 176.449 176.000 0.100 0.000 0.979 115 Q CA 0.238 56.103 55.803 0.102 0.000 0.885 115 Q CB 0.744 29.531 28.738 0.082 0.000 1.218 115 Q HN 0.292 nan 8.270 nan 0.000 0.405 116 T N 0.091 114.700 114.554 0.091 0.000 2.916 116 T HA 0.954 5.303 4.350 -0.003 0.000 0.292 116 T C -0.035 174.734 174.700 0.114 0.000 1.064 116 T CA -0.298 61.863 62.100 0.100 0.000 1.011 116 T CB 1.988 70.906 68.868 0.083 0.000 1.152 116 T HN 0.694 nan 8.240 nan 0.000 0.510 117 G N -0.903 107.991 108.800 0.156 0.000 2.570 117 G HA2 0.423 4.381 3.960 -0.003 0.000 0.310 117 G HA3 0.423 4.381 3.960 -0.003 0.000 0.310 117 G C -1.994 173.077 174.900 0.285 0.000 1.266 117 G CA -1.084 44.153 45.100 0.228 0.000 0.825 117 G HN 0.652 nan 8.290 nan 0.000 0.483 118 W N 3.592 125.022 121.300 0.217 0.000 1.564 118 W HA 0.394 5.052 4.660 -0.003 0.000 0.480 118 W C 1.416 178.055 176.519 0.200 0.000 0.699 118 W CA -0.672 56.826 57.345 0.254 0.000 1.985 118 W CB -0.086 29.546 29.460 0.287 0.000 1.738 118 W HN 0.413 nan 8.180 nan 0.000 0.218 119 R N 1.245 121.853 120.500 0.180 0.000 2.738 119 R HA 0.533 4.871 4.340 -0.003 0.000 0.268 119 R C 0.259 176.637 176.300 0.130 0.000 1.062 119 R CA -0.264 55.915 56.100 0.133 0.000 1.158 119 R CB -0.291 30.040 30.300 0.052 0.000 1.046 119 R HN 0.191 nan 8.270 nan 0.000 0.493 120 A N 1.591 124.452 122.820 0.068 0.000 2.406 120 A HA 0.293 4.611 4.320 -0.003 0.000 0.243 120 A C 0.266 177.678 177.584 -0.288 0.000 1.082 120 A CA 0.115 52.110 52.037 -0.070 0.000 0.786 120 A CB -0.248 18.719 19.000 -0.055 0.000 1.029 120 A HN 0.872 nan 8.150 nan 0.000 0.495 121 T N -0.753 113.470 114.554 -0.553 0.000 2.903 121 T HA 0.516 4.865 4.350 -0.003 0.000 0.314 121 T C 0.432 174.991 174.700 -0.234 0.000 1.078 121 T CA 0.207 62.022 62.100 -0.476 0.000 1.114 121 T CB 0.828 69.394 68.868 -0.503 0.000 0.987 121 T HN 2.306 nan 8.240 nan 0.000 0.548 122 G N 1.322 110.022 108.800 -0.167 0.000 2.350 122 G HA2 0.171 4.129 3.960 -0.003 0.000 0.274 122 G HA3 0.171 4.129 3.960 -0.003 0.000 0.274 122 G C -0.002 174.878 174.900 -0.033 0.000 1.621 122 G CA -0.687 44.381 45.100 -0.053 0.000 0.935 122 G HN 0.489 nan 8.290 nan 0.000 0.694 123 Q N 0.796 120.600 119.800 0.008 0.000 2.245 123 Q HA 0.014 4.352 4.340 -0.003 0.000 0.201 123 Q C 2.524 178.511 176.000 -0.021 0.000 0.955 123 Q CA 1.200 57.007 55.803 0.006 0.000 0.870 123 Q CB 0.177 28.943 28.738 0.046 0.000 0.945 123 Q HN 0.724 nan 8.270 nan 0.000 0.461 124 L N -0.812 120.384 121.223 -0.045 0.000 2.286 124 L HA 0.067 4.405 4.340 -0.003 0.000 0.203 124 L C 1.771 178.402 176.870 -0.398 0.000 1.068 124 L CA 1.417 56.103 54.840 -0.256 0.000 0.811 124 L CB -0.192 41.680 42.059 -0.313 0.000 0.989 124 L HN 0.123 nan 8.230 nan 0.000 0.467 125 H N -1.020 117.983 119.070 -0.112 0.000 2.539 125 H HA 0.251 4.806 4.556 -0.003 0.000 0.267 125 H C 0.559 175.891 175.328 0.008 0.000 0.982 125 H CA 0.255 56.258 56.048 -0.076 0.000 1.146 125 H CB 0.166 29.872 29.762 -0.093 0.000 1.382 125 H HN 0.235 nan 8.280 nan 0.000 0.577 126 S N 2.018 117.753 115.700 0.059 0.000 3.361 126 S HA -0.113 4.356 4.470 -0.003 0.000 0.396 126 S C 1.699 176.371 174.600 0.120 0.000 1.165 126 S CA 0.325 58.546 58.200 0.035 0.000 1.192 126 S CB 0.183 63.366 63.200 -0.028 0.000 0.843 126 S HN 0.636 nan 8.310 nan 0.000 0.528 127 S N 3.986 119.757 115.700 0.120 0.000 2.359 127 S HA -0.177 4.291 4.470 -0.003 0.000 0.224 127 S C 1.855 176.532 174.600 0.127 0.000 1.035 127 S CA 1.839 60.134 58.200 0.158 0.000 1.018 127 S CB -0.986 62.292 63.200 0.131 0.000 0.876 127 S HN 0.720 nan 8.310 nan 0.000 0.448 128 T N 2.073 116.673 114.554 0.077 0.000 2.833 128 T HA -0.029 4.319 4.350 -0.003 0.000 0.269 128 T C 2.083 176.783 174.700 0.000 0.000 1.054 128 T CA 1.511 63.634 62.100 0.039 0.000 1.135 128 T CB -0.649 68.249 68.868 0.050 0.000 0.869 128 T HN 0.529 nan 8.240 nan 0.000 0.466 129 S N 0.602 116.300 115.700 -0.003 0.000 2.402 129 S HA -0.081 4.387 4.470 -0.003 0.000 0.229 129 S C 1.776 176.327 174.600 -0.080 0.000 1.021 129 S CA 0.901 59.075 58.200 -0.042 0.000 0.974 129 S CB -0.301 62.858 63.200 -0.069 0.000 0.800 129 S HN 0.645 nan 8.310 nan 0.000 0.484 130 H N 0.562 119.602 119.070 -0.050 0.000 2.363 130 H HA 0.133 4.687 4.556 -0.003 0.000 0.301 130 H C 2.263 177.394 175.328 -0.329 0.000 1.074 130 H CA 1.427 57.459 56.048 -0.027 0.000 1.354 130 H CB -0.112 29.685 29.762 0.059 0.000 1.397 130 H HN 0.197 nan 8.280 nan 0.000 0.516 131 M N 0.720 120.030 119.600 -0.484 0.000 2.059 131 M HA -0.244 4.234 4.480 -0.003 0.000 0.259 131 M C 1.641 177.657 176.300 -0.473 0.000 1.072 131 M CA 1.861 56.569 55.300 -0.987 0.000 1.117 131 M CB -0.235 32.064 32.600 -0.503 0.000 1.320 131 M HN 0.355 nan 8.290 nan 0.000 0.408 132 Q N -0.529 119.154 119.800 -0.195 0.000 2.135 132 Q HA -0.223 4.115 4.340 -0.003 0.000 0.204 132 Q C 2.191 178.253 176.000 0.102 0.000 0.981 132 Q CA 1.814 57.608 55.803 -0.016 0.000 0.856 132 Q CB -0.328 28.442 28.738 0.053 0.000 0.902 132 Q HN 0.550 nan 8.270 nan 0.000 0.425 133 R N 0.345 120.902 120.500 0.096 0.000 2.066 133 R HA -0.124 4.215 4.340 -0.003 0.000 0.232 133 R C 2.149 178.624 176.300 0.292 0.000 1.131 133 R CA 1.271 57.489 56.100 0.196 0.000 0.955 133 R CB -0.204 30.232 30.300 0.226 0.000 0.851 133 R HN 0.235 nan 8.270 nan 0.000 0.432 134 A N 0.239 123.233 122.820 0.289 0.000 1.873 134 A HA -0.067 4.251 4.320 -0.003 0.000 0.215 134 A C 2.238 180.007 177.584 0.309 0.000 1.186 134 A CA 1.377 53.610 52.037 0.327 0.000 0.616 134 A CB -0.510 18.635 19.000 0.242 0.000 0.823 134 A HN 0.224 nan 8.150 nan 0.000 0.442 135 V N 0.066 120.053 119.914 0.122 0.000 2.490 135 V HA -0.171 3.947 4.120 -0.003 0.000 0.250 135 V C 2.715 179.006 176.094 0.328 0.000 1.061 135 V CA 1.824 64.226 62.300 0.169 0.000 1.064 135 V CB -1.265 30.562 31.823 0.005 0.000 0.670 135 V HN 0.625 nan 8.190 nan 0.000 0.461 136 G N -0.632 108.362 108.800 0.322 0.000 2.422 136 G HA2 -0.208 3.750 3.960 -0.003 0.000 0.218 136 G HA3 -0.208 3.750 3.960 -0.003 0.000 0.218 136 G C 1.503 176.539 174.900 0.227 0.000 1.140 136 G CA 0.575 45.836 45.100 0.268 0.000 0.775 136 G HN 0.469 nan 8.290 nan 0.000 0.545 137 M N -0.195 119.561 119.600 0.260 0.000 2.549 137 M HA 0.022 4.500 4.480 -0.003 0.000 0.260 137 M C 2.066 178.512 176.300 0.243 0.000 1.076 137 M CA 0.741 56.178 55.300 0.229 0.000 1.090 137 M CB -0.225 32.525 32.600 0.251 0.000 1.418 137 M HN 0.330 nan 8.290 nan 0.000 0.486 138 H N -0.064 119.136 119.070 0.217 0.000 2.379 138 H HA 0.272 4.826 4.556 -0.003 0.000 0.308 138 H C 0.453 175.948 175.328 0.278 0.000 1.047 138 H CA 1.459 57.652 56.048 0.242 0.000 1.371 138 H CB 0.824 30.730 29.762 0.241 0.000 1.449 138 H HN 0.288 nan 8.280 nan 0.000 0.564 139 G N 0.446 109.439 108.800 0.322 0.000 2.489 139 G HA2 0.114 4.072 3.960 -0.003 0.000 0.291 139 G HA3 0.114 4.072 3.960 -0.003 0.000 0.291 139 G C -1.336 173.657 174.900 0.156 0.000 1.487 139 G CA -0.803 44.414 45.100 0.196 0.000 0.795 139 G HN 0.210 nan 8.290 nan 0.000 0.513 140 N N -0.713 118.008 118.700 0.035 0.000 2.260 140 N HA 0.526 5.264 4.740 -0.003 0.000 0.230 140 N C -0.412 175.091 175.510 -0.012 0.000 1.323 140 N CA 0.670 53.659 53.050 -0.102 0.000 0.897 140 N CB 0.315 38.767 38.487 -0.058 0.000 1.146 140 N HN 0.696 nan 8.380 nan 0.000 0.460 141 Y N -4.164 116.197 120.300 0.102 0.000 2.788 141 Y HA 0.502 5.050 4.550 -0.003 0.000 0.335 141 Y C -0.933 175.060 175.900 0.156 0.000 1.287 141 Y CA -1.316 56.835 58.100 0.084 0.000 1.068 141 Y CB 0.209 38.683 38.460 0.023 0.000 1.340 141 Y HN 0.089 nan 8.280 nan 0.000 0.449 142 V N 2.727 122.855 119.914 0.356 0.000 2.546 142 V HA 0.365 4.483 4.120 -0.003 0.000 0.284 142 V C 0.064 176.121 176.094 -0.061 0.000 1.050 142 V CA -0.623 61.768 62.300 0.151 0.000 0.981 142 V CB 0.992 32.867 31.823 0.088 0.000 0.990 142 V HN 0.638 nan 8.190 nan 0.000 0.474 143 K N 2.925 123.288 120.400 -0.062 0.000 2.303 143 K HA 0.695 5.013 4.320 -0.003 0.000 0.233 143 K C -0.658 175.900 176.600 -0.071 0.000 1.046 143 K CA -0.841 55.404 56.287 -0.071 0.000 0.895 143 K CB 2.256 34.753 32.500 -0.005 0.000 1.220 143 K HN 0.781 nan 8.250 nan 0.000 0.470 144 K N -0.613 119.776 120.400 -0.017 0.000 2.399 144 K HA 0.629 4.947 4.320 -0.003 0.000 0.260 144 K C -1.115 175.490 176.600 0.008 0.000 1.049 144 K CA -0.791 55.510 56.287 0.024 0.000 0.890 144 K CB 1.095 33.646 32.500 0.085 0.000 1.430 144 K HN 0.530 nan 8.250 nan 0.000 0.459 145 I N -0.241 120.332 120.570 0.005 0.000 2.644 145 I HA 0.664 4.832 4.170 -0.003 0.000 0.291 145 I C -0.687 175.412 176.117 -0.031 0.000 1.180 145 I CA 0.362 61.653 61.300 -0.016 0.000 1.040 145 I CB 1.469 39.455 38.000 -0.024 0.000 1.255 145 I HN 1.084 nan 8.210 nan 0.000 0.422 146 G N 5.323 114.099 108.800 -0.040 0.000 2.422 146 G HA2 0.125 4.083 3.960 -0.003 0.000 0.607 146 G HA3 0.125 4.083 3.960 -0.003 0.000 0.607 146 G C -1.791 173.070 174.900 -0.065 0.000 1.270 146 G CA -0.108 44.952 45.100 -0.067 0.000 0.992 146 G HN 1.141 nan 8.290 nan 0.000 0.499 147 D N -3.349 116.992 120.400 -0.098 0.000 2.665 147 D HA 0.531 5.169 4.640 -0.003 0.000 0.287 147 D C -0.078 176.155 176.300 -0.111 0.000 1.266 147 D CA -0.784 53.185 54.000 -0.050 0.000 0.830 147 D CB 0.287 41.094 40.800 0.011 0.000 1.356 147 D HN 0.402 nan 8.370 nan 0.000 0.437 148 Y N -0.367 119.917 120.300 -0.027 0.000 2.490 148 Y HA 0.225 4.773 4.550 -0.003 0.000 0.281 148 Y C 1.933 177.850 175.900 0.028 0.000 1.174 148 Y CA 0.361 58.461 58.100 0.001 0.000 1.295 148 Y CB 0.381 38.839 38.460 -0.003 0.000 1.062 148 Y HN 0.304 nan 8.280 nan 0.000 0.522 149 S N -1.076 114.686 115.700 0.102 0.000 2.438 149 S HA -0.048 4.420 4.470 -0.003 0.000 0.220 149 S C 1.552 176.005 174.600 -0.246 0.000 1.045 149 S CA 1.367 59.575 58.200 0.014 0.000 0.940 149 S CB -0.143 63.061 63.200 0.008 0.000 0.863 149 S HN 0.462 nan 8.310 nan 0.000 0.539 150 T N -0.531 113.782 114.554 -0.400 0.000 3.331 150 T HA 0.408 4.756 4.350 -0.003 0.000 0.282 150 T C 1.463 175.939 174.700 -0.372 0.000 1.010 150 T CA 0.258 62.028 62.100 -0.550 0.000 0.928 150 T CB 0.507 68.842 68.868 -0.889 0.000 1.154 150 T HN 0.223 nan 8.240 nan 0.000 0.516 151 G N 2.069 110.717 108.800 -0.254 0.000 2.574 151 G HA2 -0.180 3.779 3.960 -0.003 0.000 0.220 151 G HA3 -0.180 3.779 3.960 -0.003 0.000 0.220 151 G C 1.601 176.378 174.900 -0.206 0.000 1.173 151 G CA 0.998 45.974 45.100 -0.207 0.000 0.772 151 G HN 0.758 nan 8.290 nan 0.000 0.585 152 A N 0.415 123.098 122.820 -0.229 0.000 1.878 152 A HA 0.339 4.657 4.320 -0.003 0.000 0.213 152 A C 2.749 180.170 177.584 -0.271 0.000 1.192 152 A CA 1.739 53.650 52.037 -0.210 0.000 0.619 152 A CB -1.023 17.869 19.000 -0.181 0.000 0.837 152 A HN 0.601 nan 8.150 nan 0.000 0.446 153 G N 0.612 109.146 108.800 -0.444 0.000 2.469 153 G HA2 -0.330 3.628 3.960 -0.003 0.000 0.219 153 G HA3 -0.330 3.628 3.960 -0.003 0.000 0.219 153 G C 1.617 176.344 174.900 -0.288 0.000 1.150 153 G CA 1.240 46.049 45.100 -0.484 0.000 0.763 153 G HN 0.775 nan 8.290 nan 0.000 0.561 154 Q N -0.617 118.999 119.800 -0.307 0.000 2.364 154 Q HA -0.006 4.332 4.340 -0.003 0.000 0.207 154 Q C 2.017 177.919 176.000 -0.164 0.000 0.970 154 Q CA 1.618 57.270 55.803 -0.252 0.000 0.888 154 Q CB -0.445 28.131 28.738 -0.269 0.000 0.951 154 Q HN 0.356 nan 8.270 nan 0.000 0.469 155 T N 0.611 115.085 114.554 -0.133 0.000 3.009 155 T HA 0.025 4.373 4.350 -0.003 0.000 0.258 155 T C 1.592 176.308 174.700 0.027 0.000 1.063 155 T CA 0.598 62.670 62.100 -0.047 0.000 1.139 155 T CB 0.035 68.880 68.868 -0.038 0.000 0.890 155 T HN 0.213 nan 8.240 nan 0.000 0.471 156 I N 1.024 121.559 120.570 -0.058 0.000 2.494 156 I HA 0.173 4.341 4.170 -0.003 0.000 0.250 156 I C 1.866 177.909 176.117 -0.123 0.000 1.112 156 I CA 0.839 62.082 61.300 -0.096 0.000 1.438 156 I CB -0.284 37.593 38.000 -0.205 0.000 1.111 156 I HN 0.124 nan 8.210 nan 0.000 0.431 157 L N 1.031 122.163 121.223 -0.151 0.000 2.129 157 L HA -0.150 4.188 4.340 -0.003 0.000 0.212 157 L C -0.418 176.357 176.870 -0.158 0.000 1.087 157 L CA 1.307 56.041 54.840 -0.177 0.000 0.757 157 L CB -2.091 39.835 42.059 -0.222 0.000 0.896 157 L HN 0.225 nan 8.230 nan 0.000 0.434 158 P HA -0.182 nan 4.420 nan 0.000 0.218 158 P C 1.126 178.264 177.300 -0.270 0.000 1.148 158 P CA 1.427 64.387 63.100 -0.233 0.000 0.822 158 P CB -0.023 31.493 31.700 -0.307 0.000 0.784 159 Y N -1.575 118.589 120.300 -0.227 0.000 2.373 159 Y HA -0.111 4.437 4.550 -0.003 0.000 0.293 159 Y C 2.144 177.897 175.900 -0.245 0.000 1.129 159 Y CA 0.744 58.694 58.100 -0.250 0.000 1.226 159 Y CB -0.838 37.410 38.460 -0.354 0.000 1.000 159 Y HN -0.195 nan 8.280 nan 0.000 0.549 160 V N -0.904 118.935 119.914 -0.125 0.000 2.484 160 V HA -0.109 4.009 4.120 -0.003 0.000 0.236 160 V C 1.675 177.721 176.094 -0.079 0.000 1.062 160 V CA 1.128 63.363 62.300 -0.107 0.000 1.081 160 V CB -0.454 31.270 31.823 -0.164 0.000 0.751 160 V HN 0.231 nan 8.190 nan 0.000 0.484 161 L N 0.416 121.577 121.223 -0.103 0.000 2.616 161 L HA 0.451 4.789 4.340 -0.003 0.000 0.229 161 L C 1.582 178.372 176.870 -0.133 0.000 1.110 161 L CA 0.827 55.596 54.840 -0.119 0.000 0.884 161 L CB 0.013 42.026 42.059 -0.076 0.000 1.115 161 L HN 0.626 nan 8.230 nan 0.000 0.481 162 G N 0.506 109.228 108.800 -0.130 0.000 2.137 162 G HA2 -0.254 3.704 3.960 -0.003 0.000 0.237 162 G HA3 -0.254 3.704 3.960 -0.003 0.000 0.237 162 G C 0.110 174.947 174.900 -0.104 0.000 1.002 162 G CA 0.384 45.406 45.100 -0.130 0.000 0.702 162 G HN 0.403 nan 8.290 nan 0.000 0.515 163 S N -2.464 113.177 115.700 -0.098 0.000 2.611 163 S HA 0.677 5.145 4.470 -0.003 0.000 0.268 163 S C 1.370 175.910 174.600 -0.100 0.000 1.156 163 S CA 0.910 59.066 58.200 -0.073 0.000 0.817 163 S CB 0.627 63.818 63.200 -0.015 0.000 1.122 163 S HN 1.337 nan 8.310 nan 0.000 0.466 164 T N -0.124 114.372 114.554 -0.096 0.000 2.985 164 T HA 0.156 4.504 4.350 -0.003 0.000 0.266 164 T C 0.819 175.421 174.700 -0.164 0.000 1.076 164 T CA 1.537 63.547 62.100 -0.150 0.000 1.135 164 T CB -0.507 68.267 68.868 -0.157 0.000 0.890 164 T HN 0.755 nan 8.240 nan 0.000 0.480 165 E N -0.262 119.895 120.200 -0.071 0.000 5.150 165 E HA -0.282 4.066 4.350 -0.003 0.000 0.167 165 E C 1.815 178.438 176.600 0.040 0.000 1.196 165 E CA 1.857 58.260 56.400 0.005 0.000 2.189 165 E CB -2.134 27.553 29.700 -0.022 0.000 1.820 165 E HN 0.686 nan 8.360 nan 0.000 0.420 166 V N -1.331 118.527 119.914 -0.093 0.000 2.469 166 V HA -0.190 3.928 4.120 -0.003 0.000 0.251 166 V C 1.786 177.891 176.094 0.018 0.000 1.064 166 V CA 2.355 64.620 62.300 -0.058 0.000 1.066 166 V CB -0.793 30.758 31.823 -0.454 0.000 0.667 166 V HN 0.263 nan 8.190 nan 0.000 0.461 167 Y N 0.824 121.214 120.300 0.149 0.000 2.636 167 Y HA 0.807 5.355 4.550 -0.003 0.000 0.260 167 Y C 1.033 177.072 175.900 0.232 0.000 1.177 167 Y CA -0.999 57.231 58.100 0.216 0.000 1.209 167 Y CB -0.644 37.891 38.460 0.126 0.000 1.166 167 Y HN 0.372 nan 8.280 nan 0.000 0.531 168 A N 0.039 123.010 122.820 0.251 0.000 2.269 168 A HA 0.576 4.894 4.320 -0.003 0.000 0.319 168 A C -0.195 177.437 177.584 0.081 0.000 1.110 168 A CA -0.656 51.492 52.037 0.185 0.000 0.847 168 A CB 0.744 19.829 19.000 0.140 0.000 1.161 168 A HN 0.187 nan 8.150 nan 0.000 0.497 169 Q N -0.112 119.732 119.800 0.074 0.000 2.327 169 Q HA 0.513 4.851 4.340 -0.003 0.000 0.254 169 Q C 0.189 176.277 176.000 0.145 0.000 0.952 169 Q CA 0.873 56.678 55.803 0.004 0.000 0.884 169 Q CB 1.014 29.736 28.738 -0.027 0.000 1.224 169 Q HN 0.935 nan 8.270 nan 0.000 0.422 170 G N 1.206 110.037 108.800 0.053 0.000 2.932 170 G HA2 0.438 4.396 3.960 -0.003 0.000 0.283 170 G HA3 0.438 4.396 3.960 -0.003 0.000 0.283 170 G C -0.949 174.061 174.900 0.183 0.000 1.336 170 G CA -0.764 44.406 45.100 0.116 0.000 1.056 170 G HN 0.622 nan 8.290 nan 0.000 0.522 171 T N 1.474 116.065 114.554 0.062 0.000 2.908 171 T HA 0.242 4.590 4.350 -0.003 0.000 0.301 171 T C 0.812 175.518 174.700 0.010 0.000 1.019 171 T CA 0.304 62.380 62.100 -0.040 0.000 1.152 171 T CB 0.269 69.035 68.868 -0.171 0.000 0.966 171 T HN 0.453 nan 8.240 nan 0.000 0.540 172 S N 2.870 118.585 115.700 0.025 0.000 2.549 172 S HA -0.002 4.466 4.470 -0.003 0.000 0.286 172 S C 0.960 175.511 174.600 -0.081 0.000 1.314 172 S CA -0.620 57.587 58.200 0.011 0.000 1.062 172 S CB 0.325 63.571 63.200 0.077 0.000 0.865 172 S HN 0.803 nan 8.310 nan 0.000 0.498 173 W N 2.909 124.097 121.300 -0.187 0.000 2.305 173 W HA -0.128 4.530 4.660 -0.003 0.000 0.308 173 W C -1.062 175.324 176.519 -0.221 0.000 1.226 173 W CA 1.488 58.645 57.345 -0.314 0.000 1.253 173 W CB -1.666 27.329 29.460 -0.775 0.000 1.146 173 W HN 0.639 nan 8.180 nan 0.000 0.507 174 P HA -0.192 nan 4.420 nan 0.000 0.216 174 P C 1.528 178.907 177.300 0.131 0.000 1.153 174 P CA 1.689 64.872 63.100 0.139 0.000 0.848 174 P CB -0.263 31.528 31.700 0.152 0.000 0.787 175 L N -1.531 119.749 121.223 0.095 0.000 2.131 175 L HA -0.154 4.184 4.340 -0.003 0.000 0.210 175 L C 2.330 179.279 176.870 0.131 0.000 1.092 175 L CA 1.249 56.163 54.840 0.123 0.000 0.759 175 L CB -0.691 41.378 42.059 0.016 0.000 0.903 175 L HN -0.028 nan 8.230 nan 0.000 0.435 176 I N -0.465 120.118 120.570 0.023 0.000 2.233 176 I HA -0.267 3.901 4.170 -0.003 0.000 0.243 176 I C 2.327 178.482 176.117 0.063 0.000 1.093 176 I CA 1.138 62.421 61.300 -0.028 0.000 1.380 176 I CB -0.188 37.683 38.000 -0.214 0.000 1.067 176 I HN 0.178 nan 8.210 nan 0.000 0.413 177 L N 0.396 121.698 121.223 0.132 0.000 2.191 177 L HA -0.203 4.135 4.340 -0.003 0.000 0.212 177 L C 2.290 179.198 176.870 0.064 0.000 1.103 177 L CA 1.119 56.041 54.840 0.137 0.000 0.769 177 L CB -0.377 41.802 42.059 0.200 0.000 0.908 177 L HN 0.238 nan 8.230 nan 0.000 0.438 178 E N -1.241 118.987 120.200 0.047 0.000 2.447 178 E HA -0.073 4.275 4.350 -0.003 0.000 0.195 178 E C 1.369 177.785 176.600 -0.306 0.000 1.028 178 E CA 0.751 57.087 56.400 -0.105 0.000 0.876 178 E CB 0.241 29.868 29.700 -0.121 0.000 0.885 178 E HN 0.525 nan 8.360 nan 0.000 0.500 179 H N -2.103 116.956 119.070 -0.018 0.000 3.091 179 H HA 0.403 4.957 4.556 -0.004 0.000 0.249 179 H C -0.003 175.293 175.328 -0.052 0.000 0.985 179 H CA 0.231 56.257 56.048 -0.037 0.000 1.177 179 H CB 0.702 30.435 29.762 -0.049 0.000 1.456 179 H HN -0.144 nan 8.280 nan 0.000 0.467 180 S N 1.592 117.322 115.700 0.049 0.000 2.531 180 S HA -0.002 4.466 4.470 -0.003 0.000 0.279 180 S C 0.383 174.964 174.600 -0.031 0.000 1.305 180 S CA -0.190 57.999 58.200 -0.018 0.000 1.058 180 S CB 0.837 64.003 63.200 -0.057 0.000 0.899 180 S HN 0.316 nan 8.310 nan 0.000 0.493 181 D N 1.648 122.019 120.400 -0.049 0.000 2.259 181 D HA 0.063 4.701 4.640 -0.003 0.000 0.216 181 D C 0.149 176.409 176.300 -0.068 0.000 0.961 181 D CA 1.041 55.010 54.000 -0.051 0.000 0.878 181 D CB 0.346 41.115 40.800 -0.051 0.000 1.009 181 D HN 0.448 nan 8.370 nan 0.000 0.490 182 T N 1.027 115.522 114.554 -0.097 0.000 2.848 182 T HA 0.578 4.926 4.350 -0.003 0.000 0.285 182 T C 0.044 174.648 174.700 -0.160 0.000 0.995 182 T CA -0.476 61.550 62.100 -0.124 0.000 0.970 182 T CB 2.254 71.034 68.868 -0.146 0.000 0.976 182 T HN -0.130 nan 8.240 nan 0.000 0.441 183 I N 2.891 123.378 120.570 -0.139 0.000 2.411 183 I HA 0.364 4.532 4.170 -0.003 0.000 0.284 183 I C -0.591 175.440 176.117 -0.144 0.000 1.012 183 I CA -1.056 60.157 61.300 -0.146 0.000 1.119 183 I CB 1.763 39.716 38.000 -0.078 0.000 1.261 183 I HN 0.301 nan 8.210 nan 0.000 0.448 184 V N 7.375 127.174 119.914 -0.192 0.000 2.364 184 V HA 0.246 4.364 4.120 -0.003 0.000 0.272 184 V C -0.052 176.041 176.094 -0.002 0.000 1.036 184 V CA -0.536 61.690 62.300 -0.123 0.000 0.880 184 V CB 1.339 33.068 31.823 -0.157 0.000 0.991 184 V HN 0.377 nan 8.190 nan 0.000 0.460 185 L N 5.898 127.117 121.223 -0.006 0.000 2.288 185 L HA 0.358 4.696 4.340 -0.003 0.000 0.283 185 L C -0.447 176.469 176.870 0.077 0.000 1.072 185 L CA -0.007 54.855 54.840 0.037 0.000 0.862 185 L CB 0.424 42.491 42.059 0.013 0.000 1.245 185 L HN 0.657 nan 8.230 nan 0.000 0.432 186 W N 3.993 125.286 121.300 -0.012 0.000 2.283 186 W HA 0.246 4.904 4.660 -0.004 0.000 0.317 186 W C 0.841 177.353 176.519 -0.012 0.000 1.042 186 W CA -0.738 56.609 57.345 0.003 0.000 1.348 186 W CB 1.325 30.806 29.460 0.036 0.000 1.216 186 W HN 0.627 nan 8.180 nan 0.000 0.404 187 S N 4.647 120.521 115.700 0.289 0.000 3.711 187 S HA -0.287 4.181 4.470 -0.003 0.000 0.374 187 S C -0.645 173.986 174.600 0.052 0.000 0.969 187 S CA 0.997 59.308 58.200 0.186 0.000 1.198 187 S CB -1.408 61.943 63.200 0.253 0.000 0.903 187 S HN 0.593 nan 8.310 nan 0.000 0.493 188 N N 1.407 120.112 118.700 0.008 0.000 2.425 188 N HA 0.448 5.186 4.740 -0.003 0.000 0.289 188 N C -1.997 173.494 175.510 -0.031 0.000 1.074 188 N CA -0.527 52.464 53.050 -0.098 0.000 0.905 188 N CB 1.948 40.367 38.487 -0.112 0.000 1.586 188 N HN 0.238 nan 8.380 nan 0.000 0.490 189 D N 4.139 124.522 120.400 -0.028 0.000 2.607 189 D HA 0.326 4.964 4.640 -0.003 0.000 0.318 189 D C -1.723 174.627 176.300 0.084 0.000 1.212 189 D CA -1.772 52.259 54.000 0.053 0.000 0.861 189 D CB 1.222 42.066 40.800 0.072 0.000 1.064 189 D HN 0.353 nan 8.370 nan 0.000 0.500 190 P HA -0.187 nan 4.420 nan 0.000 0.222 190 P C 1.353 178.704 177.300 0.085 0.000 1.147 190 P CA 0.518 63.692 63.100 0.123 0.000 0.790 190 P CB 0.200 31.997 31.700 0.162 0.000 0.780 191 Y N 1.936 122.238 120.300 0.003 0.000 2.224 191 Y HA -0.136 4.412 4.550 -0.003 0.000 0.289 191 Y C 2.631 178.597 175.900 0.111 0.000 1.146 191 Y CA 1.748 59.846 58.100 -0.003 0.000 1.182 191 Y CB -0.381 38.079 38.460 -0.000 0.000 0.983 191 Y HN -0.128 nan 8.280 nan 0.000 0.524 192 K N -0.539 119.916 120.400 0.092 0.000 2.128 192 K HA -0.053 4.266 4.320 -0.003 0.000 0.202 192 K C 1.249 177.897 176.600 0.079 0.000 1.050 192 K CA 1.133 57.454 56.287 0.056 0.000 0.966 192 K CB -0.056 32.508 32.500 0.108 0.000 0.759 192 K HN 0.164 nan 8.250 nan 0.000 0.454 193 N N 1.040 119.799 118.700 0.100 0.000 2.521 193 N HA -0.059 4.679 4.740 -0.003 0.000 0.188 193 N C 0.786 176.378 175.510 0.138 0.000 1.146 193 N CA 0.387 53.508 53.050 0.118 0.000 0.893 193 N CB 0.301 38.861 38.487 0.121 0.000 0.975 193 N HN 0.161 nan 8.380 nan 0.000 0.451 194 L N 0.860 122.160 121.223 0.129 0.000 2.592 194 L HA 0.167 4.505 4.340 -0.003 0.000 0.227 194 L C 1.734 178.828 176.870 0.374 0.000 1.127 194 L CA 0.737 55.667 54.840 0.150 0.000 0.884 194 L CB -0.350 41.616 42.059 -0.156 0.000 1.065 194 L HN 0.060 nan 8.230 nan 0.000 0.457 195 Q N -0.782 119.210 119.800 0.320 0.000 2.437 195 Q HA -0.019 4.319 4.340 -0.003 0.000 0.210 195 Q C 0.377 176.578 176.000 0.334 0.000 0.972 195 Q CA 0.627 56.602 55.803 0.287 0.000 0.903 195 Q CB 0.147 28.963 28.738 0.130 0.000 0.967 195 Q HN 0.422 nan 8.270 nan 0.000 0.486 196 V N -4.724 115.326 119.914 0.227 0.000 3.074 196 V HA 0.962 5.080 4.120 -0.003 0.000 0.314 196 V C -0.187 176.032 176.094 0.208 0.000 1.117 196 V CA -0.763 61.623 62.300 0.143 0.000 1.014 196 V CB 1.827 33.614 31.823 -0.059 0.000 1.057 196 V HN -0.000 nan 8.190 nan 0.000 0.438 197 G N -0.652 108.299 108.800 0.250 0.000 2.695 197 G HA2 0.398 4.356 3.960 -0.003 0.000 0.290 197 G HA3 0.398 4.356 3.960 -0.003 0.000 0.290 197 G C -0.526 174.656 174.900 0.471 0.000 1.410 197 G CA -0.273 45.001 45.100 0.290 0.000 0.844 197 G HN 1.021 nan 8.290 nan 0.000 0.478 198 W N 0.396 121.783 121.300 0.145 0.000 2.388 198 W HA -0.006 4.652 4.660 -0.003 0.000 0.294 198 W C 0.038 176.663 176.519 0.177 0.000 1.212 198 W CA 0.896 58.280 57.345 0.064 0.000 1.271 198 W CB 0.353 29.790 29.460 -0.038 0.000 1.126 198 W HN 0.526 nan 8.180 nan 0.000 0.535 199 N N -1.124 117.673 118.700 0.161 0.000 2.815 199 N HA 0.396 5.134 4.740 -0.003 0.000 0.315 199 N C -0.781 174.771 175.510 0.070 0.000 1.320 199 N CA -0.449 52.610 53.050 0.015 0.000 0.846 199 N CB 0.786 39.285 38.487 0.020 0.000 1.344 199 N HN -0.123 nan 8.380 nan 0.000 0.593 200 A N 0.482 123.326 122.820 0.040 0.000 2.550 200 A HA -0.015 4.304 4.320 -0.003 0.000 0.263 200 A C -0.022 177.636 177.584 0.124 0.000 1.065 200 A CA 0.513 52.593 52.037 0.072 0.000 0.786 200 A CB -0.560 18.483 19.000 0.071 0.000 0.985 200 A HN 0.485 nan 8.150 nan 0.000 0.518 201 E N 2.586 122.791 120.200 0.008 0.000 2.180 201 E HA 0.217 4.565 4.350 -0.003 0.000 0.283 201 E C 1.545 177.966 176.600 -0.298 0.000 1.061 201 E CA 0.651 56.971 56.400 -0.134 0.000 0.861 201 E CB 0.519 30.123 29.700 -0.160 0.000 1.056 201 E HN 0.710 nan 8.360 nan 0.000 0.407 202 T N 1.306 115.671 114.554 -0.315 0.000 2.867 202 T HA -0.182 4.166 4.350 -0.003 0.000 0.268 202 T C 0.514 175.207 174.700 -0.012 0.000 1.057 202 T CA 1.434 63.320 62.100 -0.357 0.000 1.136 202 T CB -0.558 68.033 68.868 -0.461 0.000 0.874 202 T HN 0.872 nan 8.240 nan 0.000 0.466 203 H N -0.239 118.903 119.070 0.121 0.000 3.109 203 H HA -0.121 4.433 4.556 -0.003 0.000 0.245 203 H C 1.287 176.759 175.328 0.241 0.000 1.187 203 H CA 0.527 56.728 56.048 0.256 0.000 1.136 203 H CB -1.393 28.500 29.762 0.218 0.000 1.243 203 H HN 0.344 nan 8.280 nan 0.000 0.328 204 E N 0.677 121.015 120.200 0.230 0.000 2.118 204 E HA -0.172 4.176 4.350 -0.003 0.000 0.195 204 E C 2.183 178.847 176.600 0.106 0.000 0.992 204 E CA 1.515 58.012 56.400 0.162 0.000 0.804 204 E CB -0.049 29.747 29.700 0.162 0.000 0.741 204 E HN 0.704 nan 8.360 nan 0.000 0.458 205 S N 0.053 115.810 115.700 0.096 0.000 2.402 205 S HA -0.172 4.296 4.470 -0.003 0.000 0.233 205 S C 1.879 176.260 174.600 -0.365 0.000 1.030 205 S CA 1.002 59.141 58.200 -0.101 0.000 1.003 205 S CB -0.808 62.310 63.200 -0.138 0.000 0.813 205 S HN 0.178 nan 8.310 nan 0.000 0.477 206 F N 2.328 122.098 119.950 -0.300 0.000 2.333 206 F HA 0.160 4.686 4.527 -0.003 0.000 0.300 206 F C 2.687 177.991 175.800 -0.827 0.000 1.083 206 F CA 0.546 58.214 58.000 -0.554 0.000 1.395 206 F CB -0.601 37.995 39.000 -0.673 0.000 1.056 206 F HN 0.332 nan 8.300 nan 0.000 0.529 207 A N -1.056 121.402 122.820 -0.603 0.000 1.929 207 A HA -0.151 4.167 4.320 -0.003 0.000 0.216 207 A C 1.733 179.029 177.584 -0.479 0.000 1.176 207 A CA 1.186 52.907 52.037 -0.528 0.000 0.628 207 A CB -0.995 17.762 19.000 -0.405 0.000 0.816 207 A HN 0.398 nan 8.150 nan 0.000 0.444 208 Y N 0.018 120.096 120.300 -0.371 0.000 2.395 208 Y HA 0.059 4.607 4.550 -0.003 0.000 0.293 208 Y C 2.051 177.635 175.900 -0.527 0.000 1.123 208 Y CA 0.746 58.562 58.100 -0.474 0.000 1.227 208 Y CB -0.343 37.629 38.460 -0.813 0.000 1.012 208 Y HN 0.156 nan 8.280 nan 0.000 0.552 209 L N -1.020 119.963 121.223 -0.401 0.000 2.141 209 L HA -0.160 4.178 4.340 -0.003 0.000 0.209 209 L C 2.591 179.477 176.870 0.026 0.000 1.094 209 L CA 0.959 55.672 54.840 -0.210 0.000 0.763 209 L CB -0.742 41.235 42.059 -0.136 0.000 0.908 209 L HN 0.221 nan 8.230 nan 0.000 0.437 210 A N -0.300 122.529 122.820 0.015 0.000 1.898 210 A HA -0.230 4.088 4.320 -0.003 0.000 0.216 210 A C 2.220 179.822 177.584 0.030 0.000 1.181 210 A CA 1.345 53.447 52.037 0.107 0.000 0.620 210 A CB -0.421 18.652 19.000 0.121 0.000 0.819 210 A HN 0.419 nan 8.150 nan 0.000 0.442 211 Q N -1.144 118.653 119.800 -0.006 0.000 2.124 211 Q HA -0.165 4.173 4.340 -0.003 0.000 0.202 211 Q C 2.050 178.064 176.000 0.023 0.000 0.977 211 Q CA 1.422 57.236 55.803 0.018 0.000 0.850 211 Q CB -0.305 28.462 28.738 0.049 0.000 0.901 211 Q HN 0.597 nan 8.270 nan 0.000 0.429 212 L N 1.323 122.557 121.223 0.019 0.000 2.046 212 L HA -0.198 4.140 4.340 -0.003 0.000 0.208 212 L C 2.172 179.031 176.870 -0.018 0.000 1.077 212 L CA 1.891 56.749 54.840 0.030 0.000 0.747 212 L CB -0.396 41.692 42.059 0.049 0.000 0.896 212 L HN 0.012 nan 8.230 nan 0.000 0.432 213 K N -0.908 119.454 120.400 -0.063 0.000 2.152 213 K HA -0.196 4.122 4.320 -0.003 0.000 0.206 213 K C 1.886 178.419 176.600 -0.111 0.000 1.048 213 K CA 1.402 57.591 56.287 -0.163 0.000 0.933 213 K CB 0.009 32.307 32.500 -0.337 0.000 0.721 213 K HN 0.371 nan 8.250 nan 0.000 0.447 214 E N 0.942 121.106 120.200 -0.060 0.000 2.028 214 E HA -0.144 4.204 4.350 -0.003 0.000 0.191 214 E C 1.906 178.486 176.600 -0.033 0.000 0.988 214 E CA 0.949 57.325 56.400 -0.040 0.000 0.799 214 E CB -0.055 29.636 29.700 -0.015 0.000 0.755 214 E HN 0.234 nan 8.360 nan 0.000 0.447 215 K N 0.767 121.157 120.400 -0.017 0.000 2.113 215 K HA -0.099 4.219 4.320 -0.003 0.000 0.208 215 K C 2.274 178.857 176.600 -0.027 0.000 1.047 215 K CA 0.674 56.953 56.287 -0.012 0.000 0.928 215 K CB -0.606 31.898 32.500 0.007 0.000 0.716 215 K HN 0.038 nan 8.250 nan 0.000 0.446 216 V N 1.917 121.807 119.914 -0.040 0.000 2.358 216 V HA -0.196 3.922 4.120 -0.003 0.000 0.246 216 V C 2.596 178.657 176.094 -0.055 0.000 1.047 216 V CA 1.487 63.756 62.300 -0.052 0.000 1.035 216 V CB -0.354 31.426 31.823 -0.071 0.000 0.658 216 V HN 0.271 nan 8.190 nan 0.000 0.452 217 K N 0.257 120.620 120.400 -0.062 0.000 2.025 217 K HA -0.187 4.131 4.320 -0.003 0.000 0.207 217 K C 2.180 178.755 176.600 -0.041 0.000 1.049 217 K CA 1.686 57.940 56.287 -0.056 0.000 0.933 217 K CB -0.294 32.169 32.500 -0.062 0.000 0.714 217 K HN 0.516 nan 8.250 nan 0.000 0.438 218 Q N -1.046 118.733 119.800 -0.034 0.000 2.364 218 Q HA -0.062 4.276 4.340 -0.003 0.000 0.209 218 Q C 0.755 176.739 176.000 -0.027 0.000 0.977 218 Q CA 0.962 56.749 55.803 -0.027 0.000 0.885 218 Q CB -0.014 28.712 28.738 -0.021 0.000 0.941 218 Q HN 0.643 nan 8.270 nan 0.000 0.464 219 G N 0.494 109.275 108.800 -0.030 0.000 2.137 219 G HA2 -0.300 3.658 3.960 -0.003 0.000 0.237 219 G HA3 -0.300 3.658 3.960 -0.003 0.000 0.237 219 G C 0.514 175.398 174.900 -0.028 0.000 1.002 219 G CA 0.553 45.635 45.100 -0.030 0.000 0.702 219 G HN 0.325 nan 8.290 nan 0.000 0.515 220 K N -0.934 119.451 120.400 -0.026 0.000 2.323 220 K HA 0.402 4.721 4.320 -0.003 0.000 0.197 220 K C 0.928 177.512 176.600 -0.026 0.000 1.043 220 K CA 0.582 56.854 56.287 -0.024 0.000 0.997 220 K CB 0.702 33.189 32.500 -0.020 0.000 0.807 220 K HN 0.486 nan 8.250 nan 0.000 0.497 221 I N 1.126 121.681 120.570 -0.026 0.000 2.582 221 I HA 0.254 4.422 4.170 -0.003 0.000 0.292 221 I C -0.741 175.354 176.117 -0.036 0.000 1.066 221 I CA -0.979 60.305 61.300 -0.027 0.000 1.053 221 I CB 2.317 40.310 38.000 -0.011 0.000 1.241 221 I HN -0.075 nan 8.210 nan 0.000 0.421 222 R N 5.683 126.155 120.500 -0.046 0.000 2.338 222 R HA 0.693 5.031 4.340 -0.003 0.000 0.317 222 R C -1.736 174.526 176.300 -0.063 0.000 0.968 222 R CA -0.421 55.646 56.100 -0.055 0.000 0.849 222 R CB 1.521 31.785 30.300 -0.060 0.000 1.128 222 R HN 0.446 nan 8.270 nan 0.000 0.448 223 V N 6.899 126.778 119.914 -0.058 0.000 2.448 223 V HA 0.447 4.565 4.120 -0.003 0.000 0.295 223 V C -0.083 175.967 176.094 -0.072 0.000 1.025 223 V CA -0.678 61.586 62.300 -0.059 0.000 0.859 223 V CB 1.707 33.509 31.823 -0.035 0.000 0.988 223 V HN 0.693 nan 8.190 nan 0.000 0.431 224 I N 3.298 123.813 120.570 -0.091 0.000 2.418 224 I HA 0.394 4.562 4.170 -0.003 0.000 0.287 224 I C 0.044 176.089 176.117 -0.121 0.000 1.008 224 I CA -0.257 60.976 61.300 -0.111 0.000 1.104 224 I CB 2.025 39.941 38.000 -0.139 0.000 1.264 224 I HN 0.568 nan 8.210 nan 0.000 0.438 225 S N 7.535 123.167 115.700 -0.114 0.000 2.423 225 S HA 0.532 5.000 4.470 -0.003 0.000 0.317 225 S C -0.280 174.214 174.600 -0.177 0.000 1.065 225 S CA -0.568 57.564 58.200 -0.113 0.000 1.111 225 S CB 0.101 63.262 63.200 -0.064 0.000 0.968 225 S HN 0.442 nan 8.310 nan 0.000 0.474 226 I N 5.310 125.708 120.570 -0.286 0.000 2.281 226 I HA 0.378 4.546 4.170 -0.003 0.000 0.293 226 I C 0.124 176.084 176.117 -0.261 0.000 1.085 226 I CA -0.100 60.939 61.300 -0.435 0.000 1.257 226 I CB 0.268 37.657 38.000 -1.018 0.000 1.430 226 I HN 0.539 nan 8.210 nan 0.000 0.489 227 D N 7.652 127.955 120.400 -0.161 0.000 2.717 227 D HA 0.254 4.892 4.640 -0.003 0.000 0.223 227 D C -2.421 173.844 176.300 -0.058 0.000 1.240 227 D CA -1.297 52.665 54.000 -0.063 0.000 0.801 227 D CB 3.467 44.260 40.800 -0.012 0.000 1.556 227 D HN 0.027 nan 8.370 nan 0.000 0.462 228 P HA 0.090 nan 4.420 nan 0.000 0.236 228 P C 0.050 177.484 177.300 0.224 0.000 1.177 228 P CA 0.358 63.467 63.100 0.015 0.000 0.773 228 P CB 0.600 32.322 31.700 0.037 0.000 0.878 229 V N -0.947 119.037 119.914 0.117 0.000 3.001 229 V HA 0.237 4.355 4.120 -0.003 0.000 0.314 229 V C -0.133 175.910 176.094 -0.085 0.000 1.099 229 V CA -1.088 61.200 62.300 -0.020 0.000 0.989 229 V CB 2.869 34.667 31.823 -0.042 0.000 1.040 229 V HN -0.424 nan 8.190 nan 0.000 0.434 230 V N 2.851 122.647 119.914 -0.195 0.000 2.432 230 V HA 0.338 4.456 4.120 -0.003 0.000 0.271 230 V C 0.707 176.724 176.094 -0.129 0.000 1.046 230 V CA -0.015 62.202 62.300 -0.138 0.000 0.945 230 V CB 1.207 32.942 31.823 -0.147 0.000 0.992 230 V HN 1.098 nan 8.190 nan 0.000 0.471 231 T N 1.826 116.348 114.554 -0.052 0.000 2.881 231 T HA 0.308 4.656 4.350 -0.003 0.000 0.278 231 T C 1.061 175.777 174.700 0.027 0.000 0.982 231 T CA -0.567 61.530 62.100 -0.005 0.000 0.989 231 T CB 1.321 70.206 68.868 0.028 0.000 1.058 231 T HN 0.564 nan 8.240 nan 0.000 0.529 232 K N 0.134 120.581 120.400 0.079 0.000 2.097 232 K HA -0.124 4.194 4.320 -0.003 0.000 0.206 232 K C 2.162 178.844 176.600 0.137 0.000 1.049 232 K CA 1.744 58.112 56.287 0.135 0.000 0.933 232 K CB -0.712 31.916 32.500 0.214 0.000 0.717 232 K HN 0.751 nan 8.250 nan 0.000 0.442 233 T N 0.902 115.540 114.554 0.141 0.000 2.746 233 T HA -0.197 4.151 4.350 -0.003 0.000 0.267 233 T C 1.783 176.510 174.700 0.046 0.000 1.039 233 T CA 1.339 63.504 62.100 0.108 0.000 1.142 233 T CB -0.155 68.791 68.868 0.131 0.000 0.866 233 T HN 0.381 nan 8.240 nan 0.000 0.444 234 Q N 0.497 120.313 119.800 0.025 0.000 2.124 234 Q HA -0.106 4.232 4.340 -0.003 0.000 0.202 234 Q C 2.475 178.464 176.000 -0.019 0.000 0.977 234 Q CA 1.434 57.232 55.803 -0.008 0.000 0.850 234 Q CB -0.254 28.473 28.738 -0.019 0.000 0.901 234 Q HN 0.566 nan 8.270 nan 0.000 0.429 235 A N -0.150 122.670 122.820 0.001 0.000 1.898 235 A HA -0.199 4.119 4.320 -0.003 0.000 0.216 235 A C 1.847 179.427 177.584 -0.007 0.000 1.181 235 A CA 1.292 53.330 52.037 0.001 0.000 0.620 235 A CB -0.932 18.085 19.000 0.027 0.000 0.819 235 A HN 0.650 nan 8.150 nan 0.000 0.442 236 Y N 0.408 120.600 120.300 -0.179 0.000 2.200 236 Y HA -0.078 4.470 4.550 -0.003 0.000 0.290 236 Y C 1.846 177.623 175.900 -0.205 0.000 1.137 236 Y CA 1.773 59.701 58.100 -0.286 0.000 1.163 236 Y CB -0.212 37.819 38.460 -0.715 0.000 0.988 236 Y HN 0.193 nan 8.280 nan 0.000 0.518 237 L N -0.789 120.281 121.223 -0.254 0.000 2.209 237 L HA 0.141 4.479 4.340 -0.003 0.000 0.207 237 L C 1.602 178.356 176.870 -0.193 0.000 1.094 237 L CA 0.784 55.457 54.840 -0.278 0.000 0.790 237 L CB -0.712 41.272 42.059 -0.126 0.000 0.932 237 L HN 0.438 nan 8.230 nan 0.000 0.447 238 G N 0.583 109.305 108.800 -0.130 0.000 2.248 238 G HA2 -0.259 3.699 3.960 -0.003 0.000 0.263 238 G HA3 -0.259 3.699 3.960 -0.003 0.000 0.263 238 G C 0.196 175.050 174.900 -0.077 0.000 1.082 238 G CA 0.121 45.164 45.100 -0.095 0.000 0.863 238 G HN 0.459 nan 8.290 nan 0.000 0.495 239 C N -1.252 118.007 119.300 -0.068 0.000 2.548 239 C HA 0.980 5.438 4.460 -0.003 0.000 0.412 239 C C 0.806 175.764 174.990 -0.054 0.000 1.588 239 C CA -0.473 58.510 59.018 -0.059 0.000 1.861 239 C CB 1.249 28.956 27.740 -0.055 0.000 1.983 239 C HN 0.877 nan 8.230 nan 0.000 0.497 240 E N 0.607 120.773 120.200 -0.057 0.000 2.292 240 E HA 0.505 4.853 4.350 -0.003 0.000 0.258 240 E C -0.966 175.596 176.600 -0.064 0.000 1.115 240 E CA -0.475 55.890 56.400 -0.058 0.000 0.929 240 E CB 0.826 30.490 29.700 -0.061 0.000 1.161 240 E HN 0.811 nan 8.360 nan 0.000 0.453 241 Q N 0.732 120.495 119.800 -0.063 0.000 2.389 241 Q HA 0.397 4.735 4.340 -0.003 0.000 0.277 241 Q C -2.042 173.916 176.000 -0.070 0.000 1.082 241 Q CA -1.047 54.716 55.803 -0.066 0.000 0.810 241 Q CB 1.958 30.670 28.738 -0.043 0.000 1.374 241 Q HN 0.532 nan 8.270 nan 0.000 0.422 242 L N 4.152 125.315 121.223 -0.099 0.000 2.377 242 L HA 0.375 4.713 4.340 -0.003 0.000 0.270 242 L C -1.512 175.305 176.870 -0.088 0.000 0.991 242 L CA -0.400 54.376 54.840 -0.106 0.000 0.851 242 L CB 0.976 42.925 42.059 -0.183 0.000 1.218 242 L HN 0.651 nan 8.230 nan 0.000 0.420 243 Y N 4.975 125.196 120.300 -0.131 0.000 2.497 243 Y HA 0.516 5.064 4.550 -0.003 0.000 0.334 243 Y C -0.663 175.157 175.900 -0.134 0.000 1.199 243 Y CA 0.275 58.304 58.100 -0.119 0.000 1.425 243 Y CB 0.737 39.136 38.460 -0.102 0.000 1.291 243 Y HN 0.400 nan 8.280 nan 0.000 0.562 244 V N 5.298 124.623 119.914 -0.980 0.000 2.851 244 V HA 0.225 4.344 4.120 -0.003 0.000 0.307 244 V C -0.766 174.747 176.094 -0.968 0.000 1.129 244 V CA -1.671 60.194 62.300 -0.725 0.000 0.932 244 V CB 1.964 33.570 31.823 -0.361 0.000 1.024 244 V HN 0.831 nan 8.190 nan 0.000 0.426 245 N N 3.693 122.004 118.700 -0.648 0.000 2.454 245 N HA 0.235 4.973 4.740 -0.003 0.000 0.254 245 N C -2.641 172.631 175.510 -0.397 0.000 1.228 245 N CA -0.905 51.847 53.050 -0.496 0.000 0.900 245 N CB 0.612 38.938 38.487 -0.269 0.000 1.089 245 N HN 0.457 nan 8.380 nan 0.000 0.449 246 P HA -0.069 nan 4.420 nan 0.000 0.265 246 P C -0.532 176.550 177.300 -0.363 0.000 1.193 246 P CA 0.478 63.197 63.100 -0.636 0.000 0.765 246 P CB 0.488 31.260 31.700 -1.546 0.000 0.823 247 Q N -0.481 119.208 119.800 -0.186 0.000 2.324 247 Q HA -0.209 4.129 4.340 -0.003 0.000 0.200 247 Q C 0.575 176.650 176.000 0.124 0.000 0.645 247 Q CA 1.648 57.465 55.803 0.023 0.000 1.377 247 Q CB -2.710 26.056 28.738 0.047 0.000 1.486 247 Q HN 0.713 nan 8.270 nan 0.000 0.796 248 T N -4.346 110.205 114.554 -0.005 0.000 3.092 248 T HA 0.168 4.516 4.350 -0.003 0.000 0.258 248 T C 0.661 175.287 174.700 -0.122 0.000 1.031 248 T CA 0.456 62.490 62.100 -0.110 0.000 0.925 248 T CB 0.229 68.965 68.868 -0.220 0.000 1.036 248 T HN 0.102 nan 8.240 nan 0.000 0.544 249 D N 1.871 122.290 120.400 0.031 0.000 2.172 249 D HA -0.115 4.523 4.640 -0.003 0.000 0.196 249 D C 1.953 178.317 176.300 0.106 0.000 0.999 249 D CA 0.926 55.008 54.000 0.137 0.000 0.856 249 D CB -0.338 40.616 40.800 0.257 0.000 0.934 249 D HN 0.293 nan 8.370 nan 0.000 0.453 250 V N 0.822 120.789 119.914 0.089 0.000 2.490 250 V HA -0.242 3.876 4.120 -0.003 0.000 0.250 250 V C 2.631 178.754 176.094 0.050 0.000 1.061 250 V CA 2.069 64.442 62.300 0.123 0.000 1.064 250 V CB -1.027 30.972 31.823 0.294 0.000 0.670 250 V HN 0.474 nan 8.190 nan 0.000 0.461 251 T N -2.087 112.354 114.554 -0.189 0.000 2.915 251 T HA -0.125 4.223 4.350 -0.003 0.000 0.269 251 T C 1.915 176.579 174.700 -0.059 0.000 1.071 251 T CA 1.214 63.166 62.100 -0.246 0.000 1.132 251 T CB -0.245 68.160 68.868 -0.772 0.000 0.878 251 T HN 0.368 nan 8.240 nan 0.000 0.479 252 L N -0.240 120.965 121.223 -0.030 0.000 2.044 252 L HA 0.066 4.405 4.340 -0.003 0.000 0.205 252 L C 2.849 179.804 176.870 0.141 0.000 1.075 252 L CA 1.419 56.290 54.840 0.052 0.000 0.747 252 L CB -0.323 41.795 42.059 0.098 0.000 0.903 252 L HN 0.312 nan 8.230 nan 0.000 0.435 253 M N -0.582 119.122 119.600 0.174 0.000 2.080 253 M HA -0.289 4.189 4.480 -0.003 0.000 0.260 253 M C 2.245 178.642 176.300 0.162 0.000 1.068 253 M CA 1.785 57.187 55.300 0.170 0.000 1.109 253 M CB -0.455 32.200 32.600 0.091 0.000 1.342 253 M HN 0.253 nan 8.290 nan 0.000 0.405 254 L N -0.158 121.166 121.223 0.169 0.000 2.079 254 L HA -0.204 4.134 4.340 -0.003 0.000 0.210 254 L C 2.819 179.772 176.870 0.138 0.000 1.081 254 L CA 1.233 56.171 54.840 0.163 0.000 0.752 254 L CB -0.848 41.316 42.059 0.176 0.000 0.896 254 L HN 0.328 nan 8.230 nan 0.000 0.433 255 A N 0.038 122.952 122.820 0.157 0.000 1.930 255 A HA -0.135 4.183 4.320 -0.003 0.000 0.217 255 A C 2.198 179.870 177.584 0.147 0.000 1.175 255 A CA 1.243 53.363 52.037 0.139 0.000 0.627 255 A CB -0.539 18.525 19.000 0.107 0.000 0.815 255 A HN 0.342 nan 8.150 nan 0.000 0.443 256 I N -0.187 120.469 120.570 0.143 0.000 2.226 256 I HA -0.270 3.898 4.170 -0.003 0.000 0.245 256 I C 2.885 179.091 176.117 0.149 0.000 1.100 256 I CA 1.088 62.475 61.300 0.145 0.000 1.374 256 I CB -0.265 37.834 38.000 0.166 0.000 1.057 256 I HN 0.348 nan 8.210 nan 0.000 0.413 257 A N -0.450 122.459 122.820 0.149 0.000 2.067 257 A HA -0.255 4.064 4.320 -0.003 0.000 0.219 257 A C 2.269 179.904 177.584 0.084 0.000 1.158 257 A CA 1.395 53.511 52.037 0.130 0.000 0.661 257 A CB -0.895 18.200 19.000 0.158 0.000 0.801 257 A HN 0.504 nan 8.150 nan 0.000 0.452 258 H N -0.530 118.544 119.070 0.008 0.000 2.363 258 H HA -0.039 4.516 4.556 -0.003 0.000 0.301 258 H C 1.851 177.189 175.328 0.017 0.000 1.074 258 H CA 1.533 57.565 56.048 -0.027 0.000 1.354 258 H CB 0.068 29.801 29.762 -0.049 0.000 1.397 258 H HN 0.409 nan 8.280 nan 0.000 0.516 259 E N 0.719 121.029 120.200 0.184 0.000 2.077 259 E HA -0.134 4.214 4.350 -0.003 0.000 0.193 259 E C 2.426 179.082 176.600 0.092 0.000 0.989 259 E CA 0.751 57.235 56.400 0.141 0.000 0.800 259 E CB -0.157 29.621 29.700 0.130 0.000 0.746 259 E HN 0.553 nan 8.360 nan 0.000 0.452 260 M N -0.045 119.621 119.600 0.111 0.000 2.358 260 M HA -0.142 4.336 4.480 -0.003 0.000 0.264 260 M C 1.939 178.375 176.300 0.227 0.000 1.064 260 M CA 0.774 56.174 55.300 0.167 0.000 1.093 260 M CB -0.062 32.654 32.600 0.193 0.000 1.401 260 M HN 0.068 nan 8.290 nan 0.000 0.440 261 I N -0.615 120.006 120.570 0.086 0.000 2.296 261 I HA -0.120 4.048 4.170 -0.003 0.000 0.242 261 I C 2.409 178.552 176.117 0.044 0.000 1.087 261 I CA 1.111 62.455 61.300 0.073 0.000 1.393 261 I CB -1.322 36.590 38.000 -0.147 0.000 1.093 261 I HN 0.181 nan 8.210 nan 0.000 0.421 262 S N 1.195 116.854 115.700 -0.068 0.000 2.359 262 S HA -0.187 4.281 4.470 -0.003 0.000 0.223 262 S C 1.434 176.046 174.600 0.021 0.000 1.039 262 S CA 1.513 59.691 58.200 -0.037 0.000 1.042 262 S CB -0.316 62.870 63.200 -0.025 0.000 0.915 262 S HN 0.415 nan 8.310 nan 0.000 0.439 263 K N 1.224 121.649 120.400 0.041 0.000 2.684 263 K HA 0.191 4.509 4.320 -0.003 0.000 0.215 263 K C -0.624 175.998 176.600 0.037 0.000 1.073 263 K CA -0.167 56.143 56.287 0.038 0.000 1.197 263 K CB 0.202 32.726 32.500 0.040 0.000 0.955 263 K HN 0.125 nan 8.250 nan 0.000 0.473 264 K N 1.438 121.870 120.400 0.053 0.000 3.903 264 K HA -0.204 4.114 4.320 -0.003 0.000 0.275 264 K C 0.207 176.776 176.600 -0.052 0.000 0.825 264 K CA 0.555 56.837 56.287 -0.008 0.000 0.684 264 K CB -1.182 31.275 32.500 -0.072 0.000 1.707 264 K HN 0.434 nan 8.250 nan 0.000 0.435 265 L N -0.139 121.113 121.223 0.049 0.000 2.640 265 L HA 0.071 4.409 4.340 -0.003 0.000 0.230 265 L C 0.897 177.798 176.870 0.052 0.000 1.123 265 L CA -0.447 54.415 54.840 0.037 0.000 0.900 265 L CB -0.162 41.944 42.059 0.077 0.000 1.146 265 L HN 0.338 nan 8.230 nan 0.000 0.484 266 Y N -1.569 118.737 120.300 0.010 0.000 2.301 266 Y HA 0.368 4.918 4.550 -0.001 0.000 0.325 266 Y C 0.145 176.032 175.900 -0.022 0.000 1.203 266 Y CA -1.629 56.464 58.100 -0.011 0.000 1.255 266 Y CB 0.238 38.681 38.460 -0.028 0.000 1.232 266 Y HN -0.112 nan 8.280 nan 0.000 0.501 267 D N 2.735 123.167 120.400 0.053 0.000 2.344 267 D HA -0.025 4.613 4.640 -0.003 0.000 0.253 267 D C 0.050 176.391 176.300 0.068 0.000 1.255 267 D CA 0.295 54.300 54.000 0.009 0.000 0.894 267 D CB 0.677 41.502 40.800 0.041 0.000 1.067 267 D HN 0.912 nan 8.370 nan 0.000 0.492 268 D N 3.560 123.930 120.400 -0.049 0.000 2.144 268 D HA -0.110 4.529 4.640 -0.003 0.000 0.200 268 D C 1.685 178.033 176.300 0.079 0.000 0.978 268 D CA 1.164 55.181 54.000 0.028 0.000 0.833 268 D CB 0.429 41.197 40.800 -0.054 0.000 0.961 268 D HN 0.349 nan 8.370 nan 0.000 0.470 269 K N -0.691 119.757 120.400 0.079 0.000 2.009 269 K HA -0.156 4.162 4.320 -0.003 0.000 0.210 269 K C 2.095 178.804 176.600 0.182 0.000 1.049 269 K CA 1.078 57.428 56.287 0.105 0.000 0.929 269 K CB -0.425 32.137 32.500 0.103 0.000 0.714 269 K HN 0.153 nan 8.250 nan 0.000 0.440 270 F N 1.882 121.895 119.950 0.105 0.000 2.126 270 F HA -0.211 4.313 4.527 -0.004 0.000 0.299 270 F C 1.985 177.904 175.800 0.198 0.000 1.096 270 F CA 1.334 59.449 58.000 0.192 0.000 1.255 270 F CB -0.140 38.884 39.000 0.040 0.000 0.997 270 F HN -0.043 nan 8.300 nan 0.000 0.479 271 I N -0.161 120.537 120.570 0.212 0.000 2.127 271 I HA -0.345 3.823 4.170 -0.003 0.000 0.241 271 I C 2.380 178.511 176.117 0.023 0.000 1.075 271 I CA 1.248 62.589 61.300 0.069 0.000 1.334 271 I CB -0.593 37.359 38.000 -0.080 0.000 1.040 271 I HN 0.189 nan 8.210 nan 0.000 0.405 272 Q N 0.261 120.077 119.800 0.027 0.000 2.170 272 Q HA -0.110 4.228 4.340 -0.003 0.000 0.203 272 Q C 2.162 178.114 176.000 -0.080 0.000 0.976 272 Q CA 1.735 57.538 55.803 -0.000 0.000 0.858 272 Q CB -0.565 28.181 28.738 0.013 0.000 0.907 272 Q HN 0.616 nan 8.270 nan 0.000 0.433 273 G N -1.881 106.825 108.800 -0.157 0.000 2.887 273 G HA2 -0.010 3.948 3.960 -0.003 0.000 0.211 273 G HA3 -0.010 3.948 3.960 -0.003 0.000 0.211 273 G C 0.525 175.017 174.900 -0.680 0.000 1.152 273 G CA -0.070 44.786 45.100 -0.406 0.000 0.769 273 G HN 0.278 nan 8.290 nan 0.000 0.541 274 Y N 0.704 120.796 120.300 -0.346 0.000 2.527 274 Y HA 0.324 4.872 4.550 -0.004 0.000 0.247 274 Y C 1.171 177.024 175.900 -0.078 0.000 1.138 274 Y CA -0.164 57.727 58.100 -0.348 0.000 1.228 274 Y CB 0.741 38.660 38.460 -0.902 0.000 1.252 274 Y HN 0.253 nan 8.280 nan 0.000 0.531 275 S N -0.759 114.975 115.700 0.056 0.000 2.840 275 S HA 0.851 5.319 4.470 -0.003 0.000 0.307 275 S C -1.359 173.298 174.600 0.095 0.000 1.180 275 S CA -0.775 57.488 58.200 0.105 0.000 0.846 275 S CB 2.108 65.382 63.200 0.124 0.000 1.233 275 S HN 0.038 nan 8.310 nan 0.000 0.548 276 L N -0.301 121.000 121.223 0.129 0.000 2.505 276 L HA 0.646 4.984 4.340 -0.003 0.000 0.259 276 L C 0.749 177.731 176.870 0.186 0.000 0.952 276 L CA -0.012 54.909 54.840 0.135 0.000 0.840 276 L CB 2.134 44.267 42.059 0.123 0.000 1.358 276 L HN 1.327 nan 8.230 nan 0.000 0.409 277 G N 1.055 109.954 108.800 0.165 0.000 2.175 277 G HA2 -0.350 3.608 3.960 -0.003 0.000 0.244 277 G HA3 -0.350 3.608 3.960 -0.003 0.000 0.244 277 G C 0.494 175.502 174.900 0.180 0.000 0.982 277 G CA 0.612 45.810 45.100 0.164 0.000 0.641 277 G HN 0.586 nan 8.290 nan 0.000 0.527 278 F N 2.605 122.596 119.950 0.068 0.000 2.120 278 F HA -0.091 4.434 4.527 -0.003 0.000 0.300 278 F C 2.575 178.397 175.800 0.037 0.000 1.095 278 F CA 2.394 60.438 58.000 0.074 0.000 1.249 278 F CB 0.068 39.096 39.000 0.047 0.000 0.995 278 F HN 0.383 nan 8.300 nan 0.000 0.480 279 E N -0.211 119.955 120.200 -0.058 0.000 2.338 279 E HA -0.195 4.154 4.350 -0.003 0.000 0.197 279 E C 1.527 178.003 176.600 -0.207 0.000 1.007 279 E CA 1.165 57.459 56.400 -0.178 0.000 0.849 279 E CB -0.605 29.058 29.700 -0.062 0.000 0.774 279 E HN 0.466 nan 8.360 nan 0.000 0.506 280 E N -0.288 119.802 120.200 -0.183 0.000 2.400 280 E HA 0.072 4.420 4.350 -0.003 0.000 0.195 280 E C 1.145 177.663 176.600 -0.137 0.000 1.012 280 E CA 0.106 56.371 56.400 -0.224 0.000 0.875 280 E CB -0.202 29.210 29.700 -0.481 0.000 0.859 280 E HN 0.234 nan 8.360 nan 0.000 0.498 281 F N -0.138 119.607 119.950 -0.342 0.000 2.374 281 F HA 0.044 4.569 4.527 -0.004 0.000 0.291 281 F C 1.748 177.302 175.800 -0.410 0.000 1.084 281 F CA 0.284 58.013 58.000 -0.452 0.000 1.413 281 F CB -0.282 38.511 39.000 -0.345 0.000 1.099 281 F HN -0.185 nan 8.300 nan 0.000 0.534 282 V N 2.322 121.858 119.914 -0.630 0.000 2.278 282 V HA -0.303 3.815 4.120 -0.003 0.000 0.251 282 V C -0.286 175.518 176.094 -0.483 0.000 1.062 282 V CA 2.718 64.611 62.300 -0.679 0.000 1.038 282 V CB -1.896 29.543 31.823 -0.640 0.000 0.646 282 V HN 0.202 nan 8.190 nan 0.000 0.447 283 P HA -0.217 nan 4.420 nan 0.000 0.216 283 P C 1.537 178.731 177.300 -0.177 0.000 1.150 283 P CA 1.665 64.640 63.100 -0.209 0.000 0.843 283 P CB -0.132 31.489 31.700 -0.131 0.000 0.787 284 Y N 0.286 120.370 120.300 -0.360 0.000 2.133 284 Y HA -0.170 4.378 4.550 -0.003 0.000 0.287 284 Y C 2.026 177.709 175.900 -0.362 0.000 1.134 284 Y CA 1.248 59.166 58.100 -0.302 0.000 1.133 284 Y CB -1.052 37.248 38.460 -0.266 0.000 0.987 284 Y HN -0.282 nan 8.280 nan 0.000 0.502 285 V N 0.389 119.893 119.914 -0.682 0.000 2.407 285 V HA -0.309 3.809 4.120 -0.003 0.000 0.248 285 V C 2.214 178.076 176.094 -0.388 0.000 1.055 285 V CA 1.922 63.838 62.300 -0.640 0.000 1.049 285 V CB -0.671 30.790 31.823 -0.604 0.000 0.662 285 V HN 0.416 nan 8.190 nan 0.000 0.455 286 M N -0.372 119.030 119.600 -0.329 0.000 2.558 286 M HA 0.239 4.717 4.480 -0.003 0.000 0.255 286 M C 1.853 178.043 176.300 -0.182 0.000 1.113 286 M CA 1.108 56.287 55.300 -0.203 0.000 1.097 286 M CB -0.958 31.518 32.600 -0.207 0.000 1.426 286 M HN 0.563 nan 8.290 nan 0.000 0.488 287 G N 1.151 109.809 108.800 -0.236 0.000 2.155 287 G HA2 -0.325 3.634 3.960 -0.003 0.000 0.257 287 G HA3 -0.325 3.634 3.960 -0.003 0.000 0.257 287 G C 0.936 175.765 174.900 -0.118 0.000 0.983 287 G CA 0.974 45.958 45.100 -0.192 0.000 0.676 287 G HN 0.511 nan 8.290 nan 0.000 0.528 288 T N -2.427 112.064 114.554 -0.106 0.000 2.929 288 T HA 0.097 4.445 4.350 -0.003 0.000 0.271 288 T C 1.913 176.582 174.700 -0.052 0.000 1.085 288 T CA 1.752 63.807 62.100 -0.076 0.000 1.125 288 T CB -0.007 68.812 68.868 -0.081 0.000 0.874 288 T HN 0.579 nan 8.240 nan 0.000 0.494 289 K N 0.769 121.146 120.400 -0.039 0.000 2.312 289 K HA 0.092 4.410 4.320 -0.003 0.000 0.206 289 K C 1.917 178.515 176.600 -0.003 0.000 1.121 289 K CA 0.725 57.004 56.287 -0.013 0.000 0.923 289 K CB 0.138 32.641 32.500 0.006 0.000 1.162 289 K HN 0.349 nan 8.250 nan 0.000 0.478 290 D N -0.052 120.353 120.400 0.008 0.000 2.317 290 D HA -0.007 4.631 4.640 -0.003 0.000 0.211 290 D C 1.195 177.484 176.300 -0.019 0.000 0.966 290 D CA 1.195 55.204 54.000 0.014 0.000 0.876 290 D CB 0.265 41.102 40.800 0.062 0.000 0.927 290 D HN 0.373 nan 8.370 nan 0.000 0.519 291 G N -0.482 108.288 108.800 -0.049 0.000 2.176 291 G HA2 -0.176 3.782 3.960 -0.003 0.000 0.232 291 G HA3 -0.176 3.782 3.960 -0.003 0.000 0.232 291 G C 0.164 175.008 174.900 -0.094 0.000 0.986 291 G CA 0.289 45.355 45.100 -0.057 0.000 0.643 291 G HN 1.062 nan 8.290 nan 0.000 0.522 292 V N -2.278 117.541 119.914 -0.159 0.000 2.525 292 V HA 0.930 5.048 4.120 -0.003 0.000 0.299 292 V C 0.232 176.089 176.094 -0.395 0.000 1.034 292 V CA -0.567 61.580 62.300 -0.254 0.000 0.863 292 V CB 1.290 32.938 31.823 -0.291 0.000 0.999 292 V HN 1.753 nan 8.190 nan 0.000 0.423 293 A N 4.708 127.323 122.820 -0.342 0.000 2.409 293 A HA 0.605 4.923 4.320 -0.003 0.000 0.262 293 A C 0.592 177.823 177.584 -0.589 0.000 1.113 293 A CA -0.487 51.336 52.037 -0.357 0.000 0.790 293 A CB 0.278 19.158 19.000 -0.200 0.000 1.046 293 A HN 0.789 nan 8.150 nan 0.000 0.496 294 K N 3.210 123.225 120.400 -0.642 0.000 2.751 294 K HA 0.120 4.438 4.320 -0.003 0.000 0.252 294 K C 0.603 177.002 176.600 -0.334 0.000 1.277 294 K CA 0.135 55.971 56.287 -0.751 0.000 1.226 294 K CB -1.026 31.037 32.500 -0.727 0.000 1.658 294 K HN 0.842 nan 8.250 nan 0.000 0.303 295 T N -2.518 111.825 114.554 -0.351 0.000 2.874 295 T HA 0.263 4.611 4.350 -0.003 0.000 0.281 295 T C -1.724 172.958 174.700 -0.030 0.000 0.994 295 T CA -1.773 60.075 62.100 -0.421 0.000 1.015 295 T CB 1.345 69.967 68.868 -0.410 0.000 1.028 295 T HN -0.095 nan 8.240 nan 0.000 0.523 296 P HA -0.036 nan 4.420 nan 0.000 0.218 296 P C 1.249 178.553 177.300 0.008 0.000 1.148 296 P CA 0.878 63.983 63.100 0.008 0.000 0.822 296 P CB 0.044 31.752 31.700 0.013 0.000 0.784 297 E N -2.008 118.200 120.200 0.013 0.000 2.153 297 E HA -0.187 4.161 4.350 -0.003 0.000 0.194 297 E C 1.621 178.249 176.600 0.048 0.000 0.988 297 E CA 0.955 57.368 56.400 0.022 0.000 0.811 297 E CB -0.834 28.879 29.700 0.021 0.000 0.746 297 E HN 0.388 nan 8.360 nan 0.000 0.466 298 W N 0.767 121.998 121.300 -0.114 0.000 2.441 298 W HA 0.030 4.688 4.660 -0.003 0.000 0.302 298 W C 2.197 178.647 176.519 -0.115 0.000 1.191 298 W CA 1.736 59.015 57.345 -0.110 0.000 1.327 298 W CB -0.515 28.861 29.460 -0.138 0.000 1.128 298 W HN 0.009 nan 8.180 nan 0.000 0.522 299 A N 1.034 123.685 122.820 -0.281 0.000 1.969 299 A HA 0.015 4.333 4.320 -0.003 0.000 0.218 299 A C 2.123 179.466 177.584 -0.401 0.000 1.169 299 A CA 2.268 53.963 52.037 -0.571 0.000 0.635 299 A CB -1.496 17.363 19.000 -0.235 0.000 0.810 299 A HN 0.460 nan 8.150 nan 0.000 0.445 300 A N 0.918 123.603 122.820 -0.225 0.000 1.881 300 A HA -0.187 4.131 4.320 -0.003 0.000 0.219 300 A C 0.451 177.934 177.584 -0.167 0.000 1.215 300 A CA 2.187 54.129 52.037 -0.159 0.000 0.648 300 A CB -1.823 17.125 19.000 -0.087 0.000 0.832 300 A HN 0.528 nan 8.150 nan 0.000 0.455 301 P HA -0.002 nan 4.420 nan 0.000 0.233 301 P C 1.329 178.527 177.300 -0.169 0.000 1.167 301 P CA 0.795 63.813 63.100 -0.136 0.000 0.770 301 P CB -0.048 31.589 31.700 -0.106 0.000 0.837 302 I N 0.554 120.954 120.570 -0.284 0.000 2.270 302 I HA -0.133 4.035 4.170 -0.003 0.000 0.239 302 I C 2.768 178.723 176.117 -0.269 0.000 1.080 302 I CA 1.349 62.461 61.300 -0.313 0.000 1.383 302 I CB -0.851 36.812 38.000 -0.562 0.000 1.097 302 I HN 0.058 nan 8.210 nan 0.000 0.420 303 C N 0.531 119.646 119.300 -0.307 0.000 2.481 303 C HA 0.412 4.870 4.460 -0.003 0.000 0.275 303 C C 1.748 176.629 174.990 -0.181 0.000 1.419 303 C CA -0.076 58.792 59.018 -0.250 0.000 1.773 303 C CB -0.884 26.707 27.740 -0.247 0.000 1.862 303 C HN 0.774 nan 8.230 nan 0.000 0.530 304 G N 0.372 109.093 108.800 -0.132 0.000 2.149 304 G HA2 -0.106 3.852 3.960 -0.003 0.000 0.235 304 G HA3 -0.106 3.852 3.960 -0.003 0.000 0.235 304 G C -0.303 174.577 174.900 -0.034 0.000 1.018 304 G CA 0.203 45.274 45.100 -0.049 0.000 0.728 304 G HN 0.997 nan 8.290 nan 0.000 0.508 305 V N 0.139 120.003 119.914 -0.083 0.000 2.531 305 V HA 0.432 4.550 4.120 -0.003 0.000 0.301 305 V C 0.440 176.473 176.094 -0.101 0.000 1.034 305 V CA -1.164 61.082 62.300 -0.089 0.000 0.865 305 V CB 1.856 33.616 31.823 -0.106 0.000 0.995 305 V HN 0.402 nan 8.190 nan 0.000 0.424 306 E N 2.302 122.425 120.200 -0.128 0.000 2.392 306 E HA 0.267 4.615 4.350 -0.003 0.000 0.264 306 E C 1.248 177.772 176.600 -0.126 0.000 1.024 306 E CA 0.345 56.669 56.400 -0.127 0.000 0.903 306 E CB 1.298 30.886 29.700 -0.186 0.000 0.963 306 E HN 0.826 nan 8.360 nan 0.000 0.432 307 A N 3.617 126.430 122.820 -0.011 0.000 1.927 307 A HA -0.299 4.019 4.320 -0.003 0.000 0.220 307 A C 1.808 179.423 177.584 0.052 0.000 1.185 307 A CA 2.450 54.503 52.037 0.027 0.000 0.639 307 A CB -1.107 17.931 19.000 0.063 0.000 0.820 307 A HN 0.888 nan 8.150 nan 0.000 0.451 308 H N -2.521 116.544 119.070 -0.008 0.000 2.495 308 H HA 0.158 4.712 4.556 -0.003 0.000 0.287 308 H C 1.481 176.805 175.328 -0.007 0.000 1.033 308 H CA 0.935 56.981 56.048 -0.004 0.000 1.307 308 H CB -0.380 29.379 29.762 -0.006 0.000 1.401 308 H HN 0.166 nan 8.280 nan 0.000 0.555 309 V N 1.143 120.854 119.914 -0.339 0.000 2.488 309 V HA -0.145 3.973 4.120 -0.003 0.000 0.246 309 V C 2.413 178.442 176.094 -0.109 0.000 1.046 309 V CA 1.411 63.567 62.300 -0.240 0.000 1.053 309 V CB -0.362 31.289 31.823 -0.287 0.000 0.679 309 V HN 0.446 nan 8.190 nan 0.000 0.458 310 I N -0.139 120.381 120.570 -0.082 0.000 2.252 310 I HA -0.209 3.959 4.170 -0.003 0.000 0.245 310 I C 2.736 178.858 176.117 0.009 0.000 1.102 310 I CA 1.497 62.779 61.300 -0.030 0.000 1.385 310 I CB -0.442 37.549 38.000 -0.015 0.000 1.064 310 I HN 0.213 nan 8.210 nan 0.000 0.414 311 R N 0.528 121.042 120.500 0.023 0.000 2.092 311 R HA -0.192 4.147 4.340 -0.003 0.000 0.231 311 R C 1.881 178.201 176.300 0.034 0.000 1.119 311 R CA 1.812 57.939 56.100 0.045 0.000 0.970 311 R CB -0.428 29.908 30.300 0.061 0.000 0.864 311 R HN 0.360 nan 8.270 nan 0.000 0.440 312 D N 0.568 120.979 120.400 0.018 0.000 2.117 312 D HA -0.155 4.483 4.640 -0.003 0.000 0.198 312 D C 1.788 178.086 176.300 -0.003 0.000 0.982 312 D CA 0.585 54.590 54.000 0.008 0.000 0.828 312 D CB 0.110 40.910 40.800 -0.001 0.000 0.967 312 D HN 0.017 nan 8.370 nan 0.000 0.464 313 L N 0.469 121.685 121.223 -0.012 0.000 2.046 313 L HA 0.005 4.343 4.340 -0.003 0.000 0.208 313 L C 2.181 179.062 176.870 0.019 0.000 1.077 313 L CA 2.059 56.891 54.840 -0.014 0.000 0.747 313 L CB -1.009 41.033 42.059 -0.028 0.000 0.896 313 L HN 0.094 nan 8.230 nan 0.000 0.432 314 A N 0.485 123.330 122.820 0.042 0.000 1.892 314 A HA -0.309 4.009 4.320 -0.003 0.000 0.218 314 A C 2.265 179.880 177.584 0.051 0.000 1.188 314 A CA 2.402 54.480 52.037 0.067 0.000 0.631 314 A CB -0.744 18.303 19.000 0.079 0.000 0.822 314 A HN 0.693 nan 8.150 nan 0.000 0.447 315 K N -1.255 119.165 120.400 0.034 0.000 2.147 315 K HA -0.077 4.241 4.320 -0.003 0.000 0.205 315 K C 1.654 178.258 176.600 0.007 0.000 1.049 315 K CA 1.882 58.182 56.287 0.022 0.000 0.936 315 K CB -0.822 31.688 32.500 0.016 0.000 0.722 315 K HN 0.253 nan 8.250 nan 0.000 0.446 316 T N 1.860 116.412 114.554 -0.002 0.000 2.821 316 T HA 0.013 4.361 4.350 -0.003 0.000 0.267 316 T C 1.651 176.332 174.700 -0.031 0.000 1.046 316 T CA 1.195 63.281 62.100 -0.023 0.000 1.139 316 T CB -0.193 68.652 68.868 -0.038 0.000 0.871 316 T HN 0.159 nan 8.240 nan 0.000 0.454 317 L N 1.475 122.692 121.223 -0.009 0.000 2.362 317 L HA 0.016 4.355 4.340 -0.003 0.000 0.219 317 L C 2.344 179.213 176.870 -0.001 0.000 1.134 317 L CA 0.624 55.459 54.840 -0.010 0.000 0.807 317 L CB -0.558 41.547 42.059 0.076 0.000 0.927 317 L HN 0.262 nan 8.230 nan 0.000 0.447 318 V N -5.371 114.547 119.914 0.007 0.000 3.643 318 V HA 0.087 4.205 4.120 -0.003 0.000 0.280 318 V C 2.131 178.216 176.094 -0.015 0.000 1.351 318 V CA 0.099 62.400 62.300 0.002 0.000 1.073 318 V CB 0.040 31.874 31.823 0.019 0.000 0.863 318 V HN 0.218 nan 8.190 nan 0.000 0.436 319 K N 1.311 121.700 120.400 -0.020 0.000 2.057 319 K HA 0.100 4.418 4.320 -0.003 0.000 0.207 319 K C 1.173 177.754 176.600 -0.031 0.000 1.049 319 K CA 1.699 57.972 56.287 -0.024 0.000 0.931 319 K CB -0.137 32.348 32.500 -0.025 0.000 0.714 319 K HN 0.682 nan 8.250 nan 0.000 0.440 320 G N -0.594 108.181 108.800 -0.041 0.000 3.183 320 G HA2 0.318 4.276 3.960 -0.003 0.000 0.247 320 G HA3 0.318 4.276 3.960 -0.003 0.000 0.247 320 G C -1.395 173.472 174.900 -0.055 0.000 1.211 320 G CA -0.729 44.344 45.100 -0.044 0.000 0.835 320 G HN 0.117 nan 8.290 nan 0.000 0.604 321 R N 0.326 120.792 120.500 -0.056 0.000 2.216 321 R HA 0.519 4.858 4.340 -0.003 0.000 0.332 321 R C -0.839 175.400 176.300 -0.102 0.000 1.056 321 R CA -0.001 56.058 56.100 -0.069 0.000 0.901 321 R CB 0.360 30.633 30.300 -0.045 0.000 1.039 321 R HN 0.384 nan 8.270 nan 0.000 0.456 322 T N 3.845 118.318 114.554 -0.135 0.000 2.823 322 T HA 0.191 4.539 4.350 -0.003 0.000 0.279 322 T C -0.925 173.619 174.700 -0.260 0.000 0.998 322 T CA -0.540 61.421 62.100 -0.232 0.000 0.994 322 T CB 1.625 70.310 68.868 -0.306 0.000 0.960 322 T HN 0.463 nan 8.240 nan 0.000 0.448 323 Q N 2.502 122.114 119.800 -0.313 0.000 2.327 323 Q HA 0.523 4.861 4.340 -0.003 0.000 0.270 323 Q C -1.750 174.070 176.000 -0.300 0.000 1.022 323 Q CA -0.501 55.154 55.803 -0.247 0.000 0.773 323 Q CB 0.395 29.002 28.738 -0.218 0.000 1.251 323 Q HN 0.534 nan 8.270 nan 0.000 0.457 324 F N 3.472 123.352 119.950 -0.117 0.000 2.396 324 F HA 0.492 5.017 4.527 -0.004 0.000 0.343 324 F C 0.330 176.037 175.800 -0.156 0.000 1.104 324 F CA -0.253 57.684 58.000 -0.105 0.000 1.161 324 F CB 1.101 40.026 39.000 -0.125 0.000 1.146 324 F HN 0.400 nan 8.300 nan 0.000 0.522 325 M N 5.313 124.955 119.600 0.071 0.000 2.060 325 M HA 0.329 4.807 4.480 -0.003 0.000 0.275 325 M C -1.179 175.134 176.300 0.021 0.000 0.919 325 M CA -0.462 54.839 55.300 0.001 0.000 0.970 325 M CB 1.282 33.869 32.600 -0.022 0.000 1.670 325 M HN 0.366 nan 8.290 nan 0.000 0.440 326 M N 1.479 121.037 119.600 -0.070 0.000 2.277 326 M HA 0.540 5.018 4.480 -0.003 0.000 0.350 326 M C 0.708 176.990 176.300 -0.030 0.000 1.180 326 M CA -0.208 55.058 55.300 -0.057 0.000 1.103 326 M CB 0.943 33.385 32.600 -0.264 0.000 1.577 326 M HN 0.700 nan 8.290 nan 0.000 0.459 327 G N 0.826 109.592 108.800 -0.057 0.000 2.531 327 G HA2 0.391 4.349 3.960 -0.003 0.000 0.281 327 G HA3 0.391 4.349 3.960 -0.003 0.000 0.281 327 G C -0.397 174.639 174.900 0.227 0.000 1.382 327 G CA -0.284 44.632 45.100 -0.306 0.000 1.045 327 G HN 0.811 nan 8.290 nan 0.000 0.533 328 W N -1.774 119.599 121.300 0.121 0.000 2.915 328 W HA 0.213 4.871 4.660 -0.003 0.000 0.276 328 W C 2.266 178.814 176.519 0.048 0.000 1.215 328 W CA -1.070 56.379 57.345 0.173 0.000 1.514 328 W CB -1.147 28.421 29.460 0.180 0.000 1.017 328 W HN 0.482 nan 8.180 nan 0.000 0.598 329 C N 0.722 120.134 119.300 0.187 0.000 2.401 329 C HA -0.220 4.238 4.460 -0.003 0.000 0.276 329 C C 2.683 177.640 174.990 -0.056 0.000 1.233 329 C CA 1.234 60.229 59.018 -0.039 0.000 1.753 329 C CB -1.273 26.378 27.740 -0.149 0.000 2.029 329 C HN 0.296 nan 8.230 nan 0.000 0.478 330 I N 1.140 121.760 120.570 0.083 0.000 2.423 330 I HA -0.256 3.912 4.170 -0.003 0.000 0.254 330 I C 2.139 178.321 176.117 0.107 0.000 1.151 330 I CA 2.108 63.484 61.300 0.127 0.000 1.421 330 I CB -0.156 37.968 38.000 0.206 0.000 1.079 330 I HN 0.609 nan 8.210 nan 0.000 0.431 331 Q N 0.070 119.895 119.800 0.042 0.000 2.320 331 Q HA -0.009 4.329 4.340 -0.003 0.000 0.201 331 Q C 1.340 177.303 176.000 -0.062 0.000 0.910 331 Q CA 0.311 56.052 55.803 -0.102 0.000 0.946 331 Q CB -0.299 28.125 28.738 -0.523 0.000 1.062 331 Q HN 0.268 nan 8.270 nan 0.000 0.503 332 R N 1.621 122.131 120.500 0.015 0.000 3.311 332 R HA 0.172 4.510 4.340 -0.003 0.000 0.332 332 R C -0.833 175.574 176.300 0.179 0.000 1.317 332 R CA 0.001 56.155 56.100 0.091 0.000 1.192 332 R CB 0.098 30.492 30.300 0.156 0.000 1.454 332 R HN 0.552 nan 8.270 nan 0.000 0.605 333 Q N -1.016 118.858 119.800 0.124 0.000 2.565 333 Q HA 0.197 4.535 4.340 -0.003 0.000 0.294 333 Q C -1.310 174.727 176.000 0.062 0.000 1.005 333 Q CA -1.060 54.835 55.803 0.153 0.000 0.771 333 Q CB 0.961 29.824 28.738 0.207 0.000 1.486 333 Q HN 0.012 nan 8.270 nan 0.000 0.422 334 Q N 0.557 120.365 119.800 0.014 0.000 2.269 334 Q HA -0.068 4.270 4.340 -0.003 0.000 0.300 334 Q C -0.844 175.086 176.000 -0.116 0.000 1.070 334 Q CA 1.256 56.963 55.803 -0.161 0.000 0.957 334 Q CB -0.155 28.435 28.738 -0.247 0.000 1.131 334 Q HN 0.862 nan 8.270 nan 0.000 0.377 335 H N 0.422 119.501 119.070 0.016 0.000 3.022 335 H HA -0.181 4.373 4.556 -0.003 0.000 0.258 335 H C 1.051 176.412 175.328 0.054 0.000 1.212 335 H CA 0.146 56.211 56.048 0.027 0.000 1.126 335 H CB -1.658 28.117 29.762 0.021 0.000 1.267 335 H HN 0.906 nan 8.280 nan 0.000 0.345 336 G N 0.363 109.223 108.800 0.101 0.000 2.564 336 G HA2 -0.246 3.712 3.960 -0.003 0.000 0.217 336 G HA3 -0.246 3.712 3.960 -0.003 0.000 0.217 336 G C 1.258 176.183 174.900 0.042 0.000 1.120 336 G CA 1.379 46.515 45.100 0.060 0.000 0.752 336 G HN 0.554 nan 8.290 nan 0.000 0.558 337 E N -0.157 120.093 120.200 0.084 0.000 2.230 337 E HA -0.004 4.344 4.350 -0.003 0.000 0.192 337 E C 2.615 179.367 176.600 0.253 0.000 0.987 337 E CA 0.442 56.905 56.400 0.104 0.000 0.841 337 E CB -0.012 29.737 29.700 0.081 0.000 0.783 337 E HN 0.257 nan 8.360 nan 0.000 0.481 338 Q N 0.408 120.365 119.800 0.261 0.000 1.993 338 Q HA -0.077 4.261 4.340 -0.003 0.000 0.202 338 Q C -0.542 175.611 176.000 0.254 0.000 0.984 338 Q CA 1.534 57.502 55.803 0.276 0.000 0.837 338 Q CB -1.825 27.044 28.738 0.217 0.000 0.902 338 Q HN 0.353 nan 8.270 nan 0.000 0.423 339 P HA -0.180 nan 4.420 nan 0.000 0.216 339 P C 1.178 178.588 177.300 0.183 0.000 1.150 339 P CA 1.302 64.496 63.100 0.155 0.000 0.837 339 P CB -0.226 31.566 31.700 0.154 0.000 0.786 340 Y N -1.560 118.793 120.300 0.089 0.000 2.242 340 Y HA -0.128 4.420 4.550 -0.003 0.000 0.291 340 Y C 2.610 178.613 175.900 0.172 0.000 1.137 340 Y CA 0.685 58.858 58.100 0.122 0.000 1.181 340 Y CB -1.026 37.463 38.460 0.049 0.000 0.989 340 Y HN -0.010 nan 8.280 nan 0.000 0.527 341 W N 0.008 121.371 121.300 0.105 0.000 2.413 341 W HA -0.221 4.437 4.660 -0.003 0.000 0.315 341 W C 2.296 178.793 176.519 -0.037 0.000 1.186 341 W CA 1.634 58.989 57.345 0.018 0.000 1.326 341 W CB -1.022 28.438 29.460 -0.001 0.000 1.153 341 W HN 0.156 nan 8.180 nan 0.000 0.489 342 M N 1.314 121.003 119.600 0.148 0.000 2.267 342 M HA -0.082 4.396 4.480 -0.003 0.000 0.263 342 M C 2.011 178.267 176.300 -0.074 0.000 1.063 342 M CA 2.216 57.500 55.300 -0.027 0.000 1.090 342 M CB -0.887 31.714 32.600 0.001 0.000 1.392 342 M HN -0.004 nan 8.290 nan 0.000 0.422 343 A N -0.390 122.357 122.820 -0.121 0.000 1.873 343 A HA 0.060 4.378 4.320 -0.003 0.000 0.215 343 A C 2.365 179.796 177.584 -0.256 0.000 1.186 343 A CA 1.883 53.732 52.037 -0.314 0.000 0.616 343 A CB -1.421 17.330 19.000 -0.414 0.000 0.823 343 A HN 0.601 nan 8.150 nan 0.000 0.442 344 A N -0.570 122.213 122.820 -0.063 0.000 1.978 344 A HA -0.003 4.316 4.320 -0.003 0.000 0.220 344 A C 2.189 179.766 177.584 -0.011 0.000 1.170 344 A CA 1.812 53.846 52.037 -0.005 0.000 0.636 344 A CB -0.816 18.255 19.000 0.118 0.000 0.810 344 A HN 0.391 nan 8.150 nan 0.000 0.448 345 V N 0.009 119.921 119.914 -0.004 0.000 2.358 345 V HA -0.229 3.889 4.120 -0.003 0.000 0.246 345 V C 2.532 178.623 176.094 -0.005 0.000 1.047 345 V CA 1.783 64.080 62.300 -0.005 0.000 1.035 345 V CB -0.722 31.045 31.823 -0.092 0.000 0.658 345 V HN 0.576 nan 8.190 nan 0.000 0.452 346 L N 0.247 121.432 121.223 -0.063 0.000 2.017 346 L HA -0.163 4.175 4.340 -0.003 0.000 0.208 346 L C 2.775 179.598 176.870 -0.079 0.000 1.073 346 L CA 1.682 56.489 54.840 -0.054 0.000 0.745 346 L CB -0.890 41.099 42.059 -0.117 0.000 0.894 346 L HN 0.370 nan 8.230 nan 0.000 0.432 347 A N -0.512 122.182 122.820 -0.209 0.000 1.978 347 A HA -0.202 4.116 4.320 -0.003 0.000 0.220 347 A C 2.326 179.876 177.584 -0.056 0.000 1.170 347 A CA 2.353 54.302 52.037 -0.147 0.000 0.636 347 A CB -0.787 18.080 19.000 -0.220 0.000 0.810 347 A HN 0.423 nan 8.150 nan 0.000 0.448 348 T N -0.260 114.296 114.554 0.003 0.000 2.851 348 T HA -0.047 4.301 4.350 -0.003 0.000 0.262 348 T C 1.902 176.654 174.700 0.086 0.000 1.043 348 T CA 1.491 63.657 62.100 0.111 0.000 1.140 348 T CB -0.266 68.704 68.868 0.170 0.000 0.872 348 T HN 0.444 nan 8.240 nan 0.000 0.446 349 M N 0.401 120.026 119.600 0.043 0.000 2.267 349 M HA 0.006 4.484 4.480 -0.003 0.000 0.263 349 M C 1.939 178.281 176.300 0.071 0.000 1.063 349 M CA 1.449 56.772 55.300 0.038 0.000 1.090 349 M CB -0.522 32.106 32.600 0.047 0.000 1.392 349 M HN 0.249 nan 8.290 nan 0.000 0.422 350 I N -0.756 119.829 120.570 0.025 0.000 2.480 350 I HA -0.028 4.140 4.170 -0.003 0.000 0.251 350 I C 1.509 177.547 176.117 -0.131 0.000 1.124 350 I CA 0.759 62.058 61.300 -0.002 0.000 1.444 350 I CB -0.456 37.573 38.000 0.048 0.000 1.098 350 I HN 0.513 nan 8.210 nan 0.000 0.428 351 G N 1.333 109.944 108.800 -0.315 0.000 2.176 351 G HA2 -0.286 3.672 3.960 -0.003 0.000 0.252 351 G HA3 -0.286 3.672 3.960 -0.003 0.000 0.252 351 G C 0.468 174.860 174.900 -0.846 0.000 1.024 351 G CA 0.155 44.761 45.100 -0.823 0.000 0.755 351 G HN 0.501 nan 8.290 nan 0.000 0.507 352 Q N -0.874 118.604 119.800 -0.537 0.000 2.198 352 Q HA 0.372 4.710 4.340 -0.003 0.000 0.209 352 Q C 1.097 176.908 176.000 -0.315 0.000 0.848 352 Q CA -0.320 55.271 55.803 -0.354 0.000 0.974 352 Q CB 0.687 29.314 28.738 -0.185 0.000 1.115 352 Q HN 0.700 nan 8.270 nan 0.000 0.494 353 I N 0.586 120.890 120.570 -0.444 0.000 2.618 353 I HA 0.013 4.181 4.170 -0.003 0.000 0.284 353 I C 1.151 177.222 176.117 -0.077 0.000 1.146 353 I CA 0.864 62.054 61.300 -0.182 0.000 1.425 353 I CB 0.658 38.601 38.000 -0.095 0.000 1.383 353 I HN 0.443 nan 8.210 nan 0.000 0.562 354 G N 5.250 114.063 108.800 0.021 0.000 2.195 354 G HA2 -0.197 3.761 3.960 -0.003 0.000 0.224 354 G HA3 -0.197 3.761 3.960 -0.003 0.000 0.224 354 G C -0.073 174.777 174.900 -0.083 0.000 0.990 354 G CA -0.599 44.513 45.100 0.020 0.000 0.639 354 G HN 0.438 nan 8.290 nan 0.000 0.514 355 L N 2.252 123.404 121.223 -0.118 0.000 2.334 355 L HA 0.505 4.843 4.340 -0.003 0.000 0.275 355 L C -1.716 175.036 176.870 -0.196 0.000 1.036 355 L CA -2.413 52.333 54.840 -0.157 0.000 0.807 355 L CB 1.617 43.587 42.059 -0.148 0.000 1.231 355 L HN -0.085 nan 8.230 nan 0.000 0.438 356 P HA 0.061 nan 4.420 nan 0.000 0.269 356 P C 0.547 177.699 177.300 -0.247 0.000 1.252 356 P CA 0.460 63.377 63.100 -0.306 0.000 0.780 356 P CB 0.805 32.226 31.700 -0.465 0.000 0.829 357 G N 2.170 110.861 108.800 -0.181 0.000 2.132 357 G HA2 -0.082 3.876 3.960 -0.003 0.000 0.234 357 G HA3 -0.082 3.876 3.960 -0.003 0.000 0.234 357 G C 0.259 175.083 174.900 -0.127 0.000 0.989 357 G CA -0.304 44.716 45.100 -0.134 0.000 0.676 357 G HN 0.908 nan 8.290 nan 0.000 0.522 358 G N -1.879 106.844 108.800 -0.130 0.000 2.605 358 G HA2 0.956 4.914 3.960 -0.003 0.000 0.296 358 G HA3 0.956 4.914 3.960 -0.003 0.000 0.296 358 G C 0.604 175.464 174.900 -0.067 0.000 1.304 358 G CA 0.967 46.004 45.100 -0.105 0.000 0.941 358 G HN 1.990 nan 8.290 nan 0.000 0.475 359 G N -0.600 108.193 108.800 -0.012 0.000 2.464 359 G HA2 0.162 4.120 3.960 -0.003 0.000 0.216 359 G HA3 0.162 4.120 3.960 -0.003 0.000 0.216 359 G C -0.686 174.303 174.900 0.149 0.000 1.186 359 G CA 0.068 45.196 45.100 0.047 0.000 1.010 359 G HN 1.639 nan 8.290 nan 0.000 0.585 360 I N -0.058 120.564 120.570 0.087 0.000 2.802 360 I HA 0.706 4.874 4.170 -0.003 0.000 0.298 360 I C -0.380 175.722 176.117 -0.025 0.000 1.176 360 I CA -0.377 60.931 61.300 0.014 0.000 1.025 360 I CB 2.103 39.999 38.000 -0.173 0.000 1.243 360 I HN 1.017 nan 8.210 nan 0.000 0.424 361 S N 4.259 119.888 115.700 -0.117 0.000 2.542 361 S HA 0.575 5.043 4.470 -0.003 0.000 0.293 361 S C -0.917 173.585 174.600 -0.163 0.000 1.089 361 S CA -0.248 57.943 58.200 -0.015 0.000 0.961 361 S CB 1.162 64.424 63.200 0.103 0.000 1.062 361 S HN 0.587 nan 8.310 nan 0.000 0.483 362 Y N 1.677 122.062 120.300 0.142 0.000 2.641 362 Y HA 0.413 4.961 4.550 -0.003 0.000 0.248 362 Y C 1.441 177.529 175.900 0.314 0.000 1.170 362 Y CA -0.125 58.091 58.100 0.193 0.000 1.201 362 Y CB 1.390 39.952 38.460 0.169 0.000 1.232 362 Y HN 0.796 nan 8.280 nan 0.000 0.537 363 G N -1.942 107.039 108.800 0.302 0.000 5.364 363 G HA2 0.003 3.961 3.960 -0.003 0.000 0.220 363 G HA3 0.003 3.961 3.960 -0.003 0.000 0.220 363 G C -0.105 174.721 174.900 -0.124 0.000 0.838 363 G CA -0.310 44.810 45.100 0.034 0.000 0.727 363 G HN 0.305 nan 8.290 nan 0.000 0.303 364 H N 0.762 119.855 119.070 0.037 0.000 2.563 364 H HA 0.043 4.597 4.556 -0.003 0.000 0.272 364 H C 1.965 177.365 175.328 0.119 0.000 1.005 364 H CA 1.262 57.326 56.048 0.026 0.000 1.171 364 H CB 0.272 29.998 29.762 -0.060 0.000 1.351 364 H HN 0.630 nan 8.280 nan 0.000 0.602 365 H N -2.637 116.454 119.070 0.035 0.000 2.542 365 H HA 0.064 4.618 4.556 -0.003 0.000 0.283 365 H C -0.643 174.696 175.328 0.018 0.000 1.059 365 H CA -0.312 55.735 56.048 -0.000 0.000 1.162 365 H CB -0.417 29.290 29.762 -0.093 0.000 1.539 365 H HN 0.272 nan 8.280 nan 0.000 0.543 366 Y N 1.561 121.609 120.300 -0.420 0.000 2.331 366 Y HA 0.376 4.924 4.550 -0.003 0.000 0.334 366 Y C 0.198 176.094 175.900 -0.007 0.000 0.960 366 Y CA -1.130 56.830 58.100 -0.232 0.000 1.130 366 Y CB 1.383 39.647 38.460 -0.327 0.000 1.164 366 Y HN 0.192 nan 8.280 nan 0.000 0.458 367 S N 3.622 119.117 115.700 -0.342 0.000 3.427 367 S HA -0.250 4.219 4.470 -0.003 0.000 0.373 367 S C 0.528 175.124 174.600 -0.007 0.000 0.973 367 S CA 1.374 59.454 58.200 -0.201 0.000 1.218 367 S CB -1.752 61.245 63.200 -0.338 0.000 0.912 367 S HN 0.984 nan 8.310 nan 0.000 0.483 368 S N -1.154 114.554 115.700 0.012 0.000 3.614 368 S HA -0.210 4.258 4.470 -0.003 0.000 0.360 368 S C 0.354 174.965 174.600 0.019 0.000 1.023 368 S CA 0.729 58.972 58.200 0.072 0.000 1.114 368 S CB -1.264 62.006 63.200 0.116 0.000 0.907 368 S HN 0.742 nan 8.310 nan 0.000 0.470 369 I N 0.918 121.385 120.570 -0.172 0.000 2.533 369 I HA 0.364 4.532 4.170 -0.003 0.000 0.284 369 I C 1.443 177.415 176.117 -0.241 0.000 1.109 369 I CA 1.341 62.417 61.300 -0.373 0.000 1.412 369 I CB 0.666 38.310 38.000 -0.593 0.000 1.396 369 I HN 0.573 nan 8.210 nan 0.000 0.543 370 G N 4.742 113.470 108.800 -0.121 0.000 2.480 370 G HA2 -0.178 3.780 3.960 -0.003 0.000 0.193 370 G HA3 -0.178 3.780 3.960 -0.003 0.000 0.193 370 G C 0.033 175.029 174.900 0.160 0.000 1.004 370 G CA -0.070 45.028 45.100 -0.002 0.000 0.696 370 G HN 0.674 nan 8.290 nan 0.000 0.478 371 V N 0.618 120.645 119.914 0.187 0.000 2.407 371 V HA 0.788 4.906 4.120 -0.003 0.000 0.278 371 V C -1.932 174.253 176.094 0.153 0.000 1.037 371 V CA -2.146 60.272 62.300 0.197 0.000 0.900 371 V CB 1.355 33.330 31.823 0.255 0.000 0.983 371 V HN 0.197 nan 8.190 nan 0.000 0.459 372 P HA 0.128 nan 4.420 nan 0.000 0.268 372 P C 0.116 177.485 177.300 0.115 0.000 1.204 372 P CA 0.316 63.491 63.100 0.124 0.000 0.768 372 P CB 1.189 32.970 31.700 0.135 0.000 0.842 373 S N 1.483 117.231 115.700 0.079 0.000 2.593 373 S HA 0.100 4.568 4.470 -0.003 0.000 0.269 373 S C 1.703 176.349 174.600 0.076 0.000 1.334 373 S CA 0.085 58.323 58.200 0.063 0.000 1.015 373 S CB 0.179 63.391 63.200 0.019 0.000 0.912 373 S HN 0.546 nan 8.310 nan 0.000 0.541 374 S N 2.422 118.164 115.700 0.070 0.000 2.414 374 S HA 0.204 4.672 4.470 -0.003 0.000 0.227 374 S C 1.504 176.200 174.600 0.161 0.000 1.022 374 S CA 0.838 59.116 58.200 0.130 0.000 0.958 374 S CB -0.635 62.627 63.200 0.104 0.000 0.797 374 S HN 1.983 nan 8.310 nan 0.000 0.493 375 G N 0.632 109.447 108.800 0.025 0.000 2.163 375 G HA2 0.047 4.005 3.960 -0.003 0.000 0.213 375 G HA3 0.047 4.005 3.960 -0.003 0.000 0.213 375 G C 0.131 174.994 174.900 -0.061 0.000 0.991 375 G CA -0.073 45.048 45.100 0.036 0.000 0.653 375 G HN 1.178 nan 8.290 nan 0.000 0.518 376 A N -0.037 122.511 122.820 -0.452 0.000 2.286 376 A HA 0.935 5.253 4.320 -0.003 0.000 0.286 376 A C 0.753 177.996 177.584 -0.570 0.000 1.097 376 A CA 0.660 52.141 52.037 -0.927 0.000 0.821 376 A CB 0.918 18.520 19.000 -2.330 0.000 1.076 376 A HN 2.019 nan 8.150 nan 0.000 0.490 377 A N 0.721 123.254 122.820 -0.479 0.000 2.366 377 A HA 0.604 4.922 4.320 -0.003 0.000 0.272 377 A C 0.650 178.082 177.584 -0.253 0.000 1.135 377 A CA 0.239 52.109 52.037 -0.278 0.000 0.804 377 A CB -0.181 18.705 19.000 -0.189 0.000 1.064 377 A HN 1.954 nan 8.150 nan 0.000 0.499 378 A N 4.034 126.765 122.820 -0.147 0.000 2.304 378 A HA 0.722 5.040 4.320 -0.003 0.000 0.271 378 A C -1.905 175.651 177.584 -0.046 0.000 1.091 378 A CA -1.407 50.591 52.037 -0.065 0.000 0.812 378 A CB -0.268 18.709 19.000 -0.039 0.000 1.056 378 A HN 0.748 nan 8.150 nan 0.000 0.489 379 P HA 0.280 nan 4.420 nan 0.000 0.274 379 P C 0.392 177.695 177.300 0.006 0.000 1.231 379 P CA 0.129 63.229 63.100 -0.000 0.000 0.790 379 P CB 0.678 32.402 31.700 0.040 0.000 0.951 380 G N 0.223 109.029 108.800 0.010 0.000 2.553 380 G HA2 0.535 4.494 3.960 -0.003 0.000 0.278 380 G HA3 0.535 4.494 3.960 -0.003 0.000 0.278 380 G C -0.735 174.185 174.900 0.033 0.000 1.349 380 G CA -0.152 44.956 45.100 0.013 0.000 1.037 380 G HN 0.768 nan 8.290 nan 0.000 0.508 381 A N -1.588 121.248 122.820 0.026 0.000 2.530 381 A HA 0.682 5.000 4.320 -0.003 0.000 0.288 381 A C -1.144 176.450 177.584 0.016 0.000 1.172 381 A CA -0.756 51.297 52.037 0.026 0.000 0.733 381 A CB 1.110 20.115 19.000 0.008 0.000 1.320 381 A HN 0.790 nan 8.150 nan 0.000 0.419 382 F N 2.130 121.947 119.950 -0.221 0.000 2.471 382 F HA 0.463 4.988 4.527 -0.003 0.000 0.353 382 F C -1.538 174.087 175.800 -0.292 0.000 1.113 382 F CA -1.396 56.360 58.000 -0.406 0.000 1.262 382 F CB 0.760 39.332 39.000 -0.713 0.000 1.146 382 F HN 0.341 nan 8.300 nan 0.000 0.578 383 P HA 0.122 nan 4.420 nan 0.000 0.271 383 P C -0.919 176.302 177.300 -0.131 0.000 1.216 383 P CA -0.296 62.625 63.100 -0.299 0.000 0.771 383 P CB 0.796 32.280 31.700 -0.360 0.000 0.864 384 R N 0.832 121.301 120.500 -0.051 0.000 2.393 384 R HA 0.317 4.655 4.340 -0.003 0.000 0.244 384 R C 0.235 176.546 176.300 0.018 0.000 0.920 384 R CA -0.387 55.715 56.100 0.002 0.000 1.076 384 R CB 0.024 30.331 30.300 0.011 0.000 1.119 384 R HN 0.253 nan 8.270 nan 0.000 0.524 385 N N 0.249 118.941 118.700 -0.012 0.000 2.469 385 N HA 0.323 5.061 4.740 -0.003 0.000 0.286 385 N C -1.065 174.442 175.510 -0.005 0.000 1.275 385 N CA -0.798 52.255 53.050 0.004 0.000 0.790 385 N CB 1.570 40.051 38.487 -0.010 0.000 1.446 385 N HN -0.121 nan 8.380 nan 0.000 0.501 386 L N 1.200 122.434 121.223 0.018 0.000 2.452 386 L HA 0.147 4.485 4.340 -0.003 0.000 0.267 386 L C 0.329 177.194 176.870 -0.008 0.000 1.188 386 L CA 0.326 55.179 54.840 0.023 0.000 0.821 386 L CB 0.152 42.237 42.059 0.043 0.000 1.102 386 L HN 0.363 nan 8.230 nan 0.000 0.470 387 D N 0.226 120.619 120.400 -0.011 0.000 2.264 387 D HA 0.126 4.764 4.640 -0.003 0.000 0.249 387 D C 1.030 177.323 176.300 -0.012 0.000 1.070 387 D CA -0.355 53.630 54.000 -0.024 0.000 0.912 387 D CB 1.002 41.783 40.800 -0.031 0.000 1.193 387 D HN 0.585 nan 8.370 nan 0.000 0.427 388 E N 1.220 121.409 120.200 -0.018 0.000 2.301 388 E HA -0.318 4.030 4.350 -0.003 0.000 0.202 388 E C 0.830 177.426 176.600 -0.007 0.000 1.017 388 E CA 1.492 57.884 56.400 -0.013 0.000 0.831 388 E CB -0.560 29.130 29.700 -0.018 0.000 0.742 388 E HN 0.498 nan 8.360 nan 0.000 0.491 389 N N 1.007 119.703 118.700 -0.006 0.000 2.461 389 N HA -0.112 4.626 4.740 -0.003 0.000 0.188 389 N C 0.151 175.666 175.510 0.009 0.000 1.134 389 N CA 0.354 53.404 53.050 -0.001 0.000 0.878 389 N CB -0.043 38.443 38.487 -0.003 0.000 0.972 389 N HN 0.612 nan 8.380 nan 0.000 0.456 390 Q N -0.287 119.522 119.800 0.015 0.000 2.495 390 Q HA 0.576 4.914 4.340 -0.003 0.000 0.287 390 Q C -1.427 174.588 176.000 0.026 0.000 1.078 390 Q CA -1.005 54.814 55.803 0.026 0.000 0.793 390 Q CB 2.089 30.854 28.738 0.045 0.000 1.459 390 Q HN -0.140 nan 8.270 nan 0.000 0.422 391 K N 0.501 120.918 120.400 0.029 0.000 2.482 391 K HA 0.597 4.915 4.320 -0.003 0.000 0.257 391 K C -2.649 173.973 176.600 0.037 0.000 0.969 391 K CA -1.958 54.345 56.287 0.027 0.000 0.842 391 K CB 2.278 34.785 32.500 0.011 0.000 1.359 391 K HN 0.537 nan 8.250 nan 0.000 0.441 392 P HA 0.191 nan 4.420 nan 0.000 0.278 392 P C 0.554 177.863 177.300 0.015 0.000 1.258 392 P CA -0.488 62.650 63.100 0.062 0.000 0.811 392 P CB 0.849 32.605 31.700 0.094 0.000 1.063 393 L N -0.534 120.684 121.223 -0.009 0.000 2.042 393 L HA -0.182 4.156 4.340 -0.003 0.000 0.210 393 L C 2.141 178.834 176.870 -0.295 0.000 1.076 393 L CA 1.698 56.442 54.840 -0.160 0.000 0.749 393 L CB -0.656 41.271 42.059 -0.221 0.000 0.893 393 L HN 0.282 nan 8.230 nan 0.000 0.432 394 F N -0.783 119.086 119.950 -0.136 0.000 2.231 394 F HA 0.066 4.592 4.527 -0.003 0.000 0.267 394 F C 0.736 176.503 175.800 -0.056 0.000 1.108 394 F CA 0.189 58.131 58.000 -0.096 0.000 1.098 394 F CB -0.306 38.631 39.000 -0.104 0.000 1.088 394 F HN -0.048 nan 8.300 nan 0.000 0.541 395 D N 0.333 120.839 120.400 0.178 0.000 3.241 395 D HA -0.171 4.468 4.640 -0.003 0.000 0.248 395 D C -0.606 175.734 176.300 0.067 0.000 1.093 395 D CA 0.402 54.452 54.000 0.084 0.000 0.940 395 D CB -0.902 39.925 40.800 0.046 0.000 0.980 395 D HN 0.228 nan 8.370 nan 0.000 0.421 396 S N 0.360 116.095 115.700 0.058 0.000 2.536 396 S HA 0.758 5.226 4.470 -0.003 0.000 0.298 396 S C 0.638 175.244 174.600 0.009 0.000 1.083 396 S CA 0.018 58.236 58.200 0.031 0.000 0.995 396 S CB 1.902 65.115 63.200 0.022 0.000 1.058 396 S HN 0.161 nan 8.310 nan 0.000 0.488 397 S N 1.991 117.717 115.700 0.044 0.000 2.650 397 S HA 0.218 4.686 4.470 -0.003 0.000 0.240 397 S C -0.501 174.205 174.600 0.178 0.000 1.007 397 S CA -0.447 57.839 58.200 0.144 0.000 0.984 397 S CB 0.035 63.325 63.200 0.151 0.000 0.910 397 S HN 0.778 nan 8.310 nan 0.000 0.509 398 D N 0.934 121.345 120.400 0.018 0.000 2.338 398 D HA 0.227 4.865 4.640 -0.003 0.000 0.255 398 D C -0.376 175.873 176.300 -0.085 0.000 1.237 398 D CA -0.224 53.795 54.000 0.031 0.000 0.883 398 D CB 0.090 40.894 40.800 0.006 0.000 1.087 398 D HN 0.127 nan 8.370 nan 0.000 0.485 399 F N 2.845 122.815 119.950 0.034 0.000 2.639 399 F HA 0.162 4.687 4.527 -0.003 0.000 0.302 399 F C 0.953 176.780 175.800 0.045 0.000 1.097 399 F CA -0.464 57.559 58.000 0.039 0.000 1.294 399 F CB 0.241 39.259 39.000 0.030 0.000 1.027 399 F HN 0.204 nan 8.300 nan 0.000 0.550 400 K N 0.189 120.681 120.400 0.155 0.000 3.035 400 K HA -0.243 4.075 4.320 -0.003 0.000 0.262 400 K C 1.159 177.827 176.600 0.114 0.000 1.024 400 K CA 0.777 57.132 56.287 0.113 0.000 0.748 400 K CB -2.297 30.260 32.500 0.095 0.000 1.247 400 K HN 0.655 nan 8.250 nan 0.000 0.482 401 G N -1.835 107.038 108.800 0.121 0.000 2.159 401 G HA2 -0.241 3.717 3.960 -0.003 0.000 0.256 401 G HA3 -0.241 3.717 3.960 -0.003 0.000 0.256 401 G C 0.280 175.230 174.900 0.083 0.000 0.977 401 G CA 0.800 45.952 45.100 0.086 0.000 0.652 401 G HN 1.066 nan 8.290 nan 0.000 0.531 402 A N -0.347 122.550 122.820 0.129 0.000 2.269 402 A HA 0.883 5.201 4.320 -0.003 0.000 0.327 402 A C 0.624 178.239 177.584 0.052 0.000 1.112 402 A CA 0.487 52.592 52.037 0.113 0.000 0.865 402 A CB 1.023 20.127 19.000 0.173 0.000 1.227 402 A HN 0.954 nan 8.150 nan 0.000 0.498 403 S N 0.424 116.134 115.700 0.016 0.000 2.548 403 S HA 0.281 4.749 4.470 -0.003 0.000 0.277 403 S C 1.291 175.784 174.600 -0.178 0.000 1.315 403 S CA 0.101 58.253 58.200 -0.080 0.000 1.050 403 S CB 1.126 64.308 63.200 -0.030 0.000 0.918 403 S HN 0.885 nan 8.310 nan 0.000 0.497 404 S N 1.239 116.682 115.700 -0.428 0.000 2.558 404 S HA 0.121 4.589 4.470 -0.003 0.000 0.217 404 S C 0.428 174.873 174.600 -0.258 0.000 0.975 404 S CA -0.187 57.629 58.200 -0.640 0.000 0.912 404 S CB 0.046 62.568 63.200 -1.129 0.000 0.776 404 S HN 0.584 nan 8.310 nan 0.000 0.526 405 T N 2.857 117.319 114.554 -0.153 0.000 2.991 405 T HA 0.648 4.996 4.350 -0.003 0.000 0.303 405 T C -0.535 174.156 174.700 -0.014 0.000 1.015 405 T CA -0.747 61.309 62.100 -0.074 0.000 1.007 405 T CB 1.531 70.351 68.868 -0.079 0.000 1.034 405 T HN 0.440 nan 8.240 nan 0.000 0.446 406 I N 0.271 120.863 120.570 0.036 0.000 2.957 406 I HA 0.794 4.963 4.170 -0.003 0.000 0.310 406 I C -3.082 173.083 176.117 0.080 0.000 1.063 406 I CA -3.529 57.825 61.300 0.089 0.000 1.033 406 I CB 2.084 40.185 38.000 0.169 0.000 1.230 406 I HN 0.241 nan 8.210 nan 0.000 0.447 407 P HA 0.053 nan 4.420 nan 0.000 0.271 407 P C 0.919 178.260 177.300 0.068 0.000 1.226 407 P CA -0.083 63.043 63.100 0.044 0.000 0.765 407 P CB 1.247 32.967 31.700 0.033 0.000 0.835 408 V N 4.459 124.389 119.914 0.027 0.000 2.277 408 V HA -0.359 3.759 4.120 -0.003 0.000 0.255 408 V C 1.826 177.991 176.094 0.118 0.000 1.074 408 V CA 2.963 65.290 62.300 0.045 0.000 1.058 408 V CB -1.047 30.741 31.823 -0.059 0.000 0.656 408 V HN 0.683 nan 8.190 nan 0.000 0.449 409 A N -0.914 121.911 122.820 0.007 0.000 2.238 409 A HA 0.065 4.383 4.320 -0.003 0.000 0.208 409 A C 1.885 179.606 177.584 0.228 0.000 1.177 409 A CA 0.369 52.486 52.037 0.134 0.000 0.804 409 A CB -0.265 18.671 19.000 -0.107 0.000 0.823 409 A HN 0.554 nan 8.150 nan 0.000 0.482 410 R N -1.352 119.244 120.500 0.161 0.000 2.317 410 R HA -0.032 4.306 4.340 -0.003 0.000 0.208 410 R C 1.442 177.718 176.300 -0.041 0.000 0.914 410 R CA 0.439 56.580 56.100 0.068 0.000 1.060 410 R CB -0.593 29.785 30.300 0.130 0.000 1.015 410 R HN 0.877 nan 8.270 nan 0.000 0.498 411 W N 1.349 122.590 121.300 -0.098 0.000 2.325 411 W HA -0.183 4.475 4.660 -0.003 0.000 0.299 411 W C 1.145 177.528 176.519 -0.225 0.000 1.215 411 W CA 0.934 58.186 57.345 -0.156 0.000 1.244 411 W CB -0.215 29.172 29.460 -0.122 0.000 1.140 411 W HN -0.135 nan 8.180 nan 0.000 0.523 412 I N 1.410 121.443 120.570 -0.895 0.000 2.286 412 I HA -0.221 3.947 4.170 -0.003 0.000 0.245 412 I C 1.855 177.703 176.117 -0.448 0.000 1.104 412 I CA 1.723 62.518 61.300 -0.842 0.000 1.397 412 I CB -1.538 35.929 38.000 -0.889 0.000 1.072 412 I HN -0.008 nan 8.210 nan 0.000 0.417 413 D N 1.210 121.387 120.400 -0.371 0.000 2.182 413 D HA -0.128 4.511 4.640 -0.003 0.000 0.201 413 D C 2.200 178.217 176.300 -0.472 0.000 0.986 413 D CA 1.383 55.202 54.000 -0.302 0.000 0.847 413 D CB 0.045 40.731 40.800 -0.189 0.000 0.942 413 D HN 0.312 nan 8.370 nan 0.000 0.467 414 A N 0.291 122.678 122.820 -0.721 0.000 1.930 414 A HA -0.031 4.287 4.320 -0.003 0.000 0.215 414 A C 2.307 179.749 177.584 -0.237 0.000 1.176 414 A CA 0.439 52.057 52.037 -0.699 0.000 0.632 414 A CB -0.434 18.196 19.000 -0.617 0.000 0.819 414 A HN 0.171 nan 8.150 nan 0.000 0.445 415 I N -0.700 119.747 120.570 -0.205 0.000 2.315 415 I HA -0.189 3.979 4.170 -0.003 0.000 0.248 415 I C 2.147 178.208 176.117 -0.092 0.000 1.117 415 I CA 0.661 61.888 61.300 -0.122 0.000 1.404 415 I CB -0.183 37.731 38.000 -0.142 0.000 1.071 415 I HN 0.214 nan 8.210 nan 0.000 0.419 416 L N 0.128 121.282 121.223 -0.115 0.000 2.109 416 L HA -0.026 4.312 4.340 -0.003 0.000 0.207 416 L C 1.280 178.142 176.870 -0.013 0.000 1.086 416 L CA 1.638 56.441 54.840 -0.062 0.000 0.760 416 L CB -0.532 41.481 42.059 -0.078 0.000 0.910 416 L HN 0.222 nan 8.230 nan 0.000 0.437 417 E N 0.441 120.648 120.200 0.011 0.000 3.117 417 E HA 0.209 4.557 4.350 -0.003 0.000 0.262 417 E C -2.510 174.184 176.600 0.157 0.000 1.202 417 E CA -1.788 54.660 56.400 0.081 0.000 0.853 417 E CB 1.062 30.823 29.700 0.103 0.000 1.426 417 E HN 0.021 nan 8.360 nan 0.000 0.387 418 P HA 0.128 nan 4.420 nan 0.000 0.271 418 P C 0.730 178.110 177.300 0.133 0.000 1.218 418 P CA 0.973 64.160 63.100 0.145 0.000 0.780 418 P CB 1.236 32.986 31.700 0.083 0.000 0.901 419 G N 0.974 109.859 108.800 0.141 0.000 2.176 419 G HA2 -0.234 3.724 3.960 -0.003 0.000 0.253 419 G HA3 -0.234 3.724 3.960 -0.003 0.000 0.253 419 G C 0.181 175.098 174.900 0.028 0.000 0.979 419 G CA 0.189 45.334 45.100 0.076 0.000 0.641 419 G HN 0.757 nan 8.290 nan 0.000 0.530 420 K N 0.944 121.359 120.400 0.024 0.000 2.185 420 K HA 0.543 4.861 4.320 -0.003 0.000 0.271 420 K C -0.268 176.172 176.600 -0.267 0.000 1.013 420 K CA 0.047 56.283 56.287 -0.086 0.000 0.943 420 K CB 0.458 32.943 32.500 -0.025 0.000 0.998 420 K HN 0.061 nan 8.250 nan 0.000 0.468 421 T N 4.089 118.515 114.554 -0.214 0.000 2.771 421 T HA 0.426 4.774 4.350 -0.003 0.000 0.281 421 T C -0.607 173.941 174.700 -0.254 0.000 0.982 421 T CA -0.577 61.386 62.100 -0.228 0.000 0.978 421 T CB 0.738 69.530 68.868 -0.126 0.000 0.930 421 T HN 0.431 nan 8.240 nan 0.000 0.447 422 I N 1.873 122.263 120.570 -0.300 0.000 2.740 422 I HA 0.362 4.530 4.170 -0.003 0.000 0.303 422 I C -0.589 175.419 176.117 -0.182 0.000 1.044 422 I CA -0.766 60.385 61.300 -0.248 0.000 1.064 422 I CB 2.032 39.843 38.000 -0.315 0.000 1.249 422 I HN 0.537 nan 8.210 nan 0.000 0.433 423 D N 4.695 124.986 120.400 -0.182 0.000 2.255 423 D HA 0.640 5.278 4.640 -0.003 0.000 0.249 423 D C -0.888 175.280 176.300 -0.221 0.000 1.078 423 D CA -0.004 53.877 54.000 -0.198 0.000 0.896 423 D CB 1.766 42.373 40.800 -0.321 0.000 1.194 423 D HN 0.554 nan 8.370 nan 0.000 0.429 424 A N 2.510 125.227 122.820 -0.171 0.000 2.667 424 A HA 0.245 4.563 4.320 -0.003 0.000 0.291 424 A C 0.223 177.747 177.584 -0.100 0.000 1.123 424 A CA -0.655 51.299 52.037 -0.139 0.000 0.832 424 A CB -0.053 18.891 19.000 -0.093 0.000 1.396 424 A HN 0.761 nan 8.150 nan 0.000 0.401 425 N N 1.559 120.217 118.700 -0.070 0.000 2.705 425 N HA -0.215 4.523 4.740 -0.003 0.000 0.255 425 N C 0.976 176.365 175.510 -0.202 0.000 1.008 425 N CA 1.386 54.427 53.050 -0.014 0.000 0.742 425 N CB -0.406 38.102 38.487 0.035 0.000 0.906 425 N HN 2.423 nan 8.380 nan 0.000 0.541 426 G N -1.492 106.987 108.800 -0.534 0.000 2.136 426 G HA2 -0.241 3.717 3.960 -0.003 0.000 0.242 426 G HA3 -0.241 3.717 3.960 -0.003 0.000 0.242 426 G C -0.124 174.553 174.900 -0.372 0.000 0.989 426 G CA 0.432 44.933 45.100 -0.998 0.000 0.682 426 G HN 0.596 nan 8.290 nan 0.000 0.522 427 S N -0.956 114.626 115.700 -0.197 0.000 2.638 427 S HA 0.717 5.185 4.470 -0.003 0.000 0.274 427 S C -0.820 173.726 174.600 -0.091 0.000 1.157 427 S CA -0.986 57.145 58.200 -0.115 0.000 0.826 427 S CB 1.786 64.934 63.200 -0.086 0.000 1.139 427 S HN 0.294 nan 8.310 nan 0.000 0.474 428 K N 1.526 121.880 120.400 -0.076 0.000 2.159 428 K HA 0.678 4.996 4.320 -0.003 0.000 0.266 428 K C -1.153 175.396 176.600 -0.085 0.000 0.975 428 K CA -0.510 55.728 56.287 -0.080 0.000 0.865 428 K CB 1.698 34.158 32.500 -0.065 0.000 1.087 428 K HN 0.374 nan 8.250 nan 0.000 0.446 429 V N 2.467 122.314 119.914 -0.112 0.000 2.656 429 V HA 0.367 4.485 4.120 -0.003 0.000 0.307 429 V C -0.535 175.459 176.094 -0.167 0.000 1.051 429 V CA -0.992 61.243 62.300 -0.107 0.000 0.893 429 V CB 2.211 33.984 31.823 -0.084 0.000 0.999 429 V HN 0.423 nan 8.190 nan 0.000 0.426 430 V N 4.446 124.302 119.914 -0.097 0.000 2.448 430 V HA 0.437 4.556 4.120 -0.003 0.000 0.295 430 V C -0.882 175.242 176.094 0.049 0.000 1.025 430 V CA -0.939 61.308 62.300 -0.088 0.000 0.859 430 V CB 1.452 33.260 31.823 -0.025 0.000 0.988 430 V HN 0.678 nan 8.190 nan 0.000 0.431 431 Y N 6.699 127.015 120.300 0.027 0.000 2.465 431 Y HA 0.310 4.858 4.550 -0.003 0.000 0.331 431 Y C -1.556 174.381 175.900 0.061 0.000 1.102 431 Y CA -2.609 55.518 58.100 0.045 0.000 1.358 431 Y CB 0.134 38.615 38.460 0.035 0.000 1.213 431 Y HN 0.444 nan 8.280 nan 0.000 0.525 432 P HA 0.052 nan 4.420 nan 0.000 0.277 432 P C -0.630 176.745 177.300 0.126 0.000 1.271 432 P CA -0.422 62.788 63.100 0.184 0.000 0.795 432 P CB 1.254 33.083 31.700 0.215 0.000 1.101 433 D N 0.695 121.146 120.400 0.085 0.000 2.485 433 D HA 0.329 4.967 4.640 -0.003 0.000 0.221 433 D C -0.152 176.128 176.300 -0.033 0.000 1.112 433 D CA -0.355 53.655 54.000 0.017 0.000 0.911 433 D CB -0.733 40.066 40.800 -0.002 0.000 1.019 433 D HN 0.181 nan 8.370 nan 0.000 0.516 434 I N 3.399 123.960 120.570 -0.016 0.000 2.474 434 I HA 0.138 4.306 4.170 -0.003 0.000 0.287 434 I C 1.551 177.605 176.117 -0.105 0.000 1.048 434 I CA -0.290 60.996 61.300 -0.024 0.000 1.383 434 I CB 1.215 39.243 38.000 0.047 0.000 1.412 434 I HN 0.077 nan 8.210 nan 0.000 0.531 435 K N 5.164 125.484 120.400 -0.132 0.000 2.474 435 K HA 0.368 4.686 4.320 -0.003 0.000 0.202 435 K C -0.053 176.499 176.600 -0.080 0.000 1.248 435 K CA 0.458 56.652 56.287 -0.156 0.000 0.946 435 K CB 0.987 33.308 32.500 -0.298 0.000 1.102 435 K HN 0.585 nan 8.250 nan 0.000 0.541 436 M N 0.754 120.328 119.600 -0.044 0.000 2.518 436 M HA 0.474 4.952 4.480 -0.003 0.000 0.300 436 M C -1.842 174.411 176.300 -0.077 0.000 1.175 436 M CA -0.382 54.894 55.300 -0.040 0.000 0.890 436 M CB 2.182 34.806 32.600 0.042 0.000 1.710 436 M HN -0.112 nan 8.290 nan 0.000 0.453 437 M N 4.796 124.299 119.600 -0.162 0.000 2.446 437 M HA 0.564 5.042 4.480 -0.003 0.000 0.294 437 M C -1.555 174.448 176.300 -0.495 0.000 1.158 437 M CA -0.607 54.495 55.300 -0.331 0.000 0.899 437 M CB 2.684 35.033 32.600 -0.419 0.000 1.687 437 M HN 0.609 nan 8.290 nan 0.000 0.455 438 I N 1.907 122.107 120.570 -0.617 0.000 2.509 438 I HA 0.551 4.719 4.170 -0.003 0.000 0.293 438 I C -1.473 174.226 176.117 -0.697 0.000 1.020 438 I CA -0.576 60.412 61.300 -0.520 0.000 1.088 438 I CB 1.739 39.598 38.000 -0.235 0.000 1.267 438 I HN 0.462 nan 8.210 nan 0.000 0.430 439 F N 3.419 123.346 119.950 -0.037 0.000 2.518 439 F HA 0.584 5.109 4.527 -0.003 0.000 0.323 439 F C 0.179 175.976 175.800 -0.005 0.000 1.129 439 F CA -0.787 57.198 58.000 -0.024 0.000 0.920 439 F CB 2.088 41.083 39.000 -0.009 0.000 1.160 439 F HN 0.291 nan 8.300 nan 0.000 0.440 440 S N 1.556 117.374 115.700 0.196 0.000 2.689 440 S HA 0.537 5.005 4.470 -0.003 0.000 0.274 440 S C 0.113 174.794 174.600 0.136 0.000 1.176 440 S CA 0.099 58.386 58.200 0.145 0.000 1.014 440 S CB 0.940 64.219 63.200 0.131 0.000 1.071 440 S HN 1.502 nan 8.310 nan 0.000 0.478 441 G N 3.838 112.717 108.800 0.132 0.000 2.141 441 G HA2 -0.197 3.761 3.960 -0.003 0.000 0.242 441 G HA3 -0.197 3.761 3.960 -0.003 0.000 0.242 441 G C -0.386 174.614 174.900 0.166 0.000 0.982 441 G CA 0.338 45.521 45.100 0.138 0.000 0.662 441 G HN 1.464 nan 8.290 nan 0.000 0.527 442 N N -1.491 117.303 118.700 0.156 0.000 2.708 442 N HA 0.498 5.236 4.740 -0.003 0.000 0.257 442 N C -1.063 174.484 175.510 0.062 0.000 1.373 442 N CA -0.831 52.317 53.050 0.164 0.000 0.843 442 N CB 1.105 39.718 38.487 0.209 0.000 1.503 442 N HN 0.112 nan 8.380 nan 0.000 0.504 443 N N 0.308 119.023 118.700 0.026 0.000 2.804 443 N HA 0.318 5.056 4.740 -0.003 0.000 0.251 443 N C -2.152 173.078 175.510 -0.466 0.000 1.250 443 N CA -2.017 50.938 53.050 -0.158 0.000 0.820 443 N CB 1.165 39.605 38.487 -0.078 0.000 1.156 443 N HN 0.384 nan 8.380 nan 0.000 0.512 444 P HA -0.108 nan 4.420 nan 0.000 0.216 444 P C -0.092 176.746 177.300 -0.769 0.000 1.150 444 P CA 1.118 63.538 63.100 -1.134 0.000 0.843 444 P CB 0.087 31.257 31.700 -0.885 0.000 0.787 445 W N -0.496 120.450 121.300 -0.591 0.000 3.430 445 W HA 0.177 4.835 4.660 -0.003 0.000 0.383 445 W C 1.450 177.725 176.519 -0.407 0.000 1.129 445 W CA 0.229 57.270 57.345 -0.507 0.000 1.805 445 W CB -1.008 28.142 29.460 -0.517 0.000 0.966 445 W HN 0.068 nan 8.180 nan 0.000 0.797 446 N N -1.462 117.069 118.700 -0.283 0.000 2.357 446 N HA -0.159 4.579 4.740 -0.003 0.000 0.260 446 N C 1.851 177.256 175.510 -0.176 0.000 1.035 446 N CA 0.926 53.875 53.050 -0.168 0.000 0.839 446 N CB -0.479 37.958 38.487 -0.083 0.000 1.723 446 N HN 0.241 nan 8.380 nan 0.000 0.617 447 H N -2.183 116.747 119.070 -0.233 0.000 2.502 447 H HA 0.051 4.606 4.556 -0.003 0.000 0.283 447 H C 0.016 175.139 175.328 -0.341 0.000 1.015 447 H CA 0.367 56.203 56.048 -0.353 0.000 1.298 447 H CB -0.174 29.273 29.762 -0.524 0.000 1.411 447 H HN 0.302 nan 8.280 nan 0.000 0.556 448 H N 0.862 119.801 119.070 -0.218 0.000 2.499 448 H HA 0.254 4.808 4.556 -0.003 0.000 0.352 448 H C -0.433 174.763 175.328 -0.220 0.000 1.237 448 H CA -0.484 55.506 56.048 -0.096 0.000 1.343 448 H CB 1.288 31.007 29.762 -0.073 0.000 1.578 448 H HN 0.181 nan 8.280 nan 0.000 0.577 449 Q N 0.880 120.386 119.800 -0.491 0.000 2.226 449 Q HA 0.278 4.616 4.340 -0.003 0.000 0.256 449 Q C -0.958 174.872 176.000 -0.283 0.000 0.962 449 Q CA -0.565 55.027 55.803 -0.352 0.000 0.887 449 Q CB 1.095 29.634 28.738 -0.331 0.000 1.282 449 Q HN 0.687 nan 8.270 nan 0.000 0.449 450 D N 0.899 121.140 120.400 -0.265 0.000 3.830 450 D HA -0.141 4.497 4.640 -0.003 0.000 0.247 450 D C 0.242 176.352 176.300 -0.317 0.000 1.073 450 D CA 0.126 53.981 54.000 -0.241 0.000 1.116 450 D CB 0.064 40.751 40.800 -0.189 0.000 0.909 450 D HN 0.580 nan 8.370 nan 0.000 0.418 451 R N 1.667 121.948 120.500 -0.364 0.000 2.094 451 R HA -0.126 4.212 4.340 -0.003 0.000 0.239 451 R C 1.654 177.792 176.300 -0.270 0.000 1.137 451 R CA 1.235 57.060 56.100 -0.459 0.000 0.943 451 R CB -0.450 29.544 30.300 -0.510 0.000 0.850 451 R HN 0.491 nan 8.270 nan 0.000 0.433 452 N N 0.630 119.245 118.700 -0.141 0.000 2.381 452 N HA -0.143 4.595 4.740 -0.003 0.000 0.182 452 N C 1.786 177.233 175.510 -0.105 0.000 1.025 452 N CA 0.707 53.716 53.050 -0.069 0.000 0.888 452 N CB -0.187 38.284 38.487 -0.026 0.000 0.965 452 N HN 0.291 nan 8.380 nan 0.000 0.438 453 R N 0.413 120.822 120.500 -0.153 0.000 2.127 453 R HA 0.175 4.513 4.340 -0.003 0.000 0.217 453 R C 2.101 178.285 176.300 -0.194 0.000 1.074 453 R CA 0.437 56.446 56.100 -0.151 0.000 0.991 453 R CB 0.060 30.271 30.300 -0.148 0.000 0.895 453 R HN 0.097 nan 8.270 nan 0.000 0.450 454 M N 0.231 119.651 119.600 -0.301 0.000 2.213 454 M HA -0.149 4.329 4.480 -0.003 0.000 0.263 454 M C 1.995 178.189 176.300 -0.177 0.000 1.062 454 M CA 1.648 56.711 55.300 -0.394 0.000 1.105 454 M CB -0.026 32.044 32.600 -0.883 0.000 1.385 454 M HN 0.041 nan 8.290 nan 0.000 0.417 455 K N 0.087 120.422 120.400 -0.108 0.000 2.097 455 K HA -0.176 4.142 4.320 -0.003 0.000 0.206 455 K C 1.990 178.457 176.600 -0.222 0.000 1.049 455 K CA 1.341 57.630 56.287 0.003 0.000 0.933 455 K CB -0.061 32.470 32.500 0.051 0.000 0.717 455 K HN 0.469 nan 8.250 nan 0.000 0.442 456 Q N -0.232 119.440 119.800 -0.212 0.000 2.123 456 Q HA -0.061 4.277 4.340 -0.003 0.000 0.199 456 Q C 2.099 178.036 176.000 -0.104 0.000 0.966 456 Q CA 1.217 56.876 55.803 -0.241 0.000 0.845 456 Q CB -0.050 28.623 28.738 -0.108 0.000 0.907 456 Q HN 0.293 nan 8.270 nan 0.000 0.439 457 A N 0.253 123.052 122.820 -0.035 0.000 1.969 457 A HA -0.139 4.179 4.320 -0.003 0.000 0.218 457 A C 1.670 179.322 177.584 0.113 0.000 1.169 457 A CA 0.912 52.955 52.037 0.010 0.000 0.635 457 A CB -0.548 18.416 19.000 -0.060 0.000 0.810 457 A HN 0.284 nan 8.150 nan 0.000 0.445 458 F N -0.116 119.829 119.950 -0.009 0.000 2.293 458 F HA -0.094 4.431 4.527 -0.003 0.000 0.300 458 F C 2.300 178.216 175.800 0.193 0.000 1.086 458 F CA 1.222 59.296 58.000 0.125 0.000 1.375 458 F CB -0.403 38.746 39.000 0.249 0.000 1.045 458 F HN 0.331 nan 8.300 nan 0.000 0.516 459 H N 0.259 119.477 119.070 0.245 0.000 2.426 459 H HA -0.112 4.442 4.556 -0.003 0.000 0.298 459 H C 1.714 177.118 175.328 0.127 0.000 1.107 459 H CA 1.127 57.288 56.048 0.187 0.000 1.298 459 H CB -0.385 29.455 29.762 0.131 0.000 1.377 459 H HN 0.241 nan 8.280 nan 0.000 0.519 460 K N 0.329 120.845 120.400 0.193 0.000 2.505 460 K HA 0.143 4.461 4.320 -0.003 0.000 0.192 460 K C 0.061 176.673 176.600 0.019 0.000 1.025 460 K CA -0.012 56.329 56.287 0.090 0.000 1.086 460 K CB 0.470 32.999 32.500 0.048 0.000 0.840 460 K HN 0.096 nan 8.250 nan 0.000 0.514 461 L N 0.735 121.958 121.223 -0.000 0.000 2.325 461 L HA 0.162 4.500 4.340 -0.003 0.000 0.279 461 L C 1.127 177.988 176.870 -0.016 0.000 1.054 461 L CA -0.309 54.488 54.840 -0.072 0.000 0.804 461 L CB 1.499 43.423 42.059 -0.224 0.000 1.200 461 L HN 0.046 nan 8.230 nan 0.000 0.436 462 E N 0.602 120.777 120.200 -0.042 0.000 2.216 462 E HA 0.029 4.378 4.350 -0.003 0.000 0.192 462 E C -0.151 176.372 176.600 -0.129 0.000 0.973 462 E CA 0.428 56.788 56.400 -0.066 0.000 0.851 462 E CB 0.698 30.369 29.700 -0.049 0.000 0.804 462 E HN 0.522 nan 8.360 nan 0.000 0.477 463 C N 0.243 119.469 119.300 -0.124 0.000 2.985 463 C HA 0.541 4.999 4.460 -0.003 0.000 0.332 463 C C -1.664 173.256 174.990 -0.117 0.000 1.164 463 C CA -0.593 58.347 59.018 -0.130 0.000 1.347 463 C CB 1.094 28.788 27.740 -0.078 0.000 1.764 463 C HN -0.014 nan 8.230 nan 0.000 0.489 464 V N 5.569 125.397 119.914 -0.144 0.000 2.612 464 V HA 0.551 4.669 4.120 -0.003 0.000 0.301 464 V C -0.562 175.465 176.094 -0.112 0.000 1.059 464 V CA -0.467 61.794 62.300 -0.063 0.000 0.886 464 V CB 1.556 33.458 31.823 0.132 0.000 1.007 464 V HN 0.742 nan 8.190 nan 0.000 0.426 465 V N 3.580 123.400 119.914 -0.156 0.000 2.459 465 V HA 0.732 4.850 4.120 -0.003 0.000 0.295 465 V C 0.068 176.085 176.094 -0.128 0.000 1.029 465 V CA -0.165 61.985 62.300 -0.251 0.000 0.874 465 V CB 2.183 33.685 31.823 -0.535 0.000 0.985 465 V HN 0.964 nan 8.190 nan 0.000 0.438 466 T N 3.628 118.118 114.554 -0.107 0.000 2.886 466 T HA 0.607 4.955 4.350 -0.003 0.000 0.292 466 T C -0.747 173.893 174.700 -0.100 0.000 1.012 466 T CA -0.491 61.596 62.100 -0.021 0.000 0.982 466 T CB 1.907 70.802 68.868 0.046 0.000 1.018 466 T HN 0.332 nan 8.240 nan 0.000 0.451 467 V N 3.302 123.199 119.914 -0.029 0.000 2.409 467 V HA 0.677 4.796 4.120 -0.003 0.000 0.291 467 V C -0.393 175.686 176.094 -0.024 0.000 1.020 467 V CA -0.551 61.731 62.300 -0.030 0.000 0.848 467 V CB 1.615 33.483 31.823 0.076 0.000 0.990 467 V HN 0.913 nan 8.190 nan 0.000 0.430 468 D N 2.395 122.744 120.400 -0.086 0.000 2.639 468 D HA 0.353 4.992 4.640 -0.003 0.000 0.271 468 D C 0.193 176.445 176.300 -0.081 0.000 1.254 468 D CA -0.407 53.554 54.000 -0.065 0.000 0.810 468 D CB 3.101 43.839 40.800 -0.102 0.000 1.351 468 D HN 0.149 nan 8.370 nan 0.000 0.427 469 V N 1.121 121.021 119.914 -0.022 0.000 2.725 469 V HA 0.098 4.216 4.120 -0.003 0.000 0.247 469 V C 0.487 176.579 176.094 -0.003 0.000 1.058 469 V CA 0.947 63.245 62.300 -0.003 0.000 1.080 469 V CB -0.326 31.521 31.823 0.040 0.000 0.713 469 V HN 0.363 nan 8.190 nan 0.000 0.465 470 N N -2.564 116.152 118.700 0.026 0.000 2.381 470 N HA 0.358 5.096 4.740 -0.003 0.000 0.294 470 N C -1.440 174.083 175.510 0.021 0.000 1.216 470 N CA -0.691 52.427 53.050 0.113 0.000 0.803 470 N CB 1.042 39.731 38.487 0.337 0.000 1.372 470 N HN 0.166 nan 8.380 nan 0.000 0.500 471 W N 1.997 123.351 121.300 0.091 0.000 1.564 471 W HA 0.107 4.765 4.660 -0.003 0.000 0.480 471 W C 0.730 177.216 176.519 -0.055 0.000 0.699 471 W CA -0.320 57.041 57.345 0.027 0.000 1.985 471 W CB -0.540 28.959 29.460 0.066 0.000 1.738 471 W HN 0.420 nan 8.180 nan 0.000 0.218 472 T N -1.589 112.899 114.554 -0.109 0.000 2.754 472 T HA 0.381 4.729 4.350 -0.003 0.000 0.286 472 T C 1.447 175.952 174.700 -0.326 0.000 0.997 472 T CA -0.120 61.661 62.100 -0.530 0.000 0.982 472 T CB 1.454 70.027 68.868 -0.493 0.000 1.027 472 T HN 0.295 nan 8.240 nan 0.000 0.529 473 A N 0.643 123.208 122.820 -0.426 0.000 1.978 473 A HA -0.021 4.297 4.320 -0.003 0.000 0.220 473 A C 2.457 179.876 177.584 -0.275 0.000 1.170 473 A CA 2.074 53.967 52.037 -0.240 0.000 0.636 473 A CB -1.741 17.200 19.000 -0.098 0.000 0.810 473 A HN 0.930 nan 8.150 nan 0.000 0.448 474 T N -0.848 113.557 114.554 -0.249 0.000 2.777 474 T HA -0.173 4.175 4.350 -0.003 0.000 0.266 474 T C 1.894 176.521 174.700 -0.122 0.000 1.040 474 T CA 1.573 63.538 62.100 -0.225 0.000 1.141 474 T CB -0.634 68.135 68.868 -0.164 0.000 0.868 474 T HN 0.601 nan 8.240 nan 0.000 0.444 475 C N 1.080 120.320 119.300 -0.100 0.000 2.425 475 C HA 0.019 4.477 4.460 -0.003 0.000 0.277 475 C C 2.811 177.875 174.990 0.124 0.000 1.280 475 C CA 0.374 59.356 59.018 -0.060 0.000 1.744 475 C CB -0.984 26.603 27.740 -0.254 0.000 1.989 475 C HN 0.534 nan 8.230 nan 0.000 0.491 476 R N -0.158 120.373 120.500 0.053 0.000 2.159 476 R HA -0.115 4.223 4.340 -0.003 0.000 0.237 476 R C 0.620 176.758 176.300 -0.270 0.000 1.131 476 R CA 1.505 57.491 56.100 -0.190 0.000 0.982 476 R CB -0.198 29.725 30.300 -0.628 0.000 0.868 476 R HN 0.483 nan 8.270 nan 0.000 0.453 477 F N 0.053 119.796 119.950 -0.345 0.000 2.750 477 F HA 0.347 4.872 4.527 -0.003 0.000 0.297 477 F C 0.029 175.811 175.800 -0.029 0.000 1.138 477 F CA -0.337 57.447 58.000 -0.361 0.000 1.346 477 F CB 0.814 39.214 39.000 -1.000 0.000 0.965 477 F HN -0.144 nan 8.300 nan 0.000 0.514 478 S N -0.714 115.102 115.700 0.194 0.000 2.786 478 S HA 0.316 4.784 4.470 -0.003 0.000 0.307 478 S C 0.471 175.136 174.600 0.110 0.000 1.121 478 S CA -0.685 57.626 58.200 0.186 0.000 0.975 478 S CB 1.654 64.936 63.200 0.137 0.000 1.220 478 S HN 0.119 nan 8.310 nan 0.000 0.550 479 D N -0.094 120.265 120.400 -0.068 0.000 2.525 479 D HA 0.326 4.964 4.640 -0.003 0.000 0.248 479 D C 0.010 176.179 176.300 -0.218 0.000 1.000 479 D CA 0.766 54.572 54.000 -0.324 0.000 0.923 479 D CB 0.495 40.748 40.800 -0.913 0.000 1.101 479 D HN 0.303 nan 8.370 nan 0.000 0.493 480 I N 1.273 121.727 120.570 -0.194 0.000 2.545 480 I HA 0.306 4.474 4.170 -0.003 0.000 0.292 480 I C -0.942 175.083 176.117 -0.154 0.000 1.040 480 I CA -0.836 60.379 61.300 -0.141 0.000 1.068 480 I CB 3.027 40.889 38.000 -0.231 0.000 1.251 480 I HN -0.378 nan 8.210 nan 0.000 0.424 481 V N 6.712 126.528 119.914 -0.162 0.000 2.638 481 V HA 0.525 4.643 4.120 -0.003 0.000 0.306 481 V C -0.468 175.427 176.094 -0.332 0.000 1.052 481 V CA -0.567 61.556 62.300 -0.295 0.000 0.885 481 V CB 2.176 33.699 31.823 -0.499 0.000 0.999 481 V HN 0.456 nan 8.190 nan 0.000 0.424 482 L N 6.198 127.239 121.223 -0.303 0.000 2.356 482 L HA 0.592 4.930 4.340 -0.003 0.000 0.277 482 L C -2.569 174.208 176.870 -0.154 0.000 0.996 482 L CA -1.771 52.917 54.840 -0.253 0.000 0.822 482 L CB 2.762 44.762 42.059 -0.098 0.000 1.256 482 L HN 0.399 nan 8.230 nan 0.000 0.413 483 P HA 0.306 nan 4.420 nan 0.000 0.281 483 P C -1.072 176.298 177.300 0.117 0.000 1.252 483 P CA -0.137 62.953 63.100 -0.018 0.000 0.778 483 P CB 1.897 33.588 31.700 -0.014 0.000 0.895 484 A N 3.356 126.202 122.820 0.043 0.000 2.384 484 A HA 0.657 4.975 4.320 -0.003 0.000 0.312 484 A C 0.232 177.829 177.584 0.022 0.000 1.113 484 A CA -0.555 51.507 52.037 0.042 0.000 0.779 484 A CB 0.819 19.836 19.000 0.028 0.000 1.307 484 A HN 0.761 nan 8.150 nan 0.000 0.436 485 C N 0.416 119.716 119.300 -0.001 0.000 2.362 485 C HA 0.872 5.330 4.460 -0.003 0.000 0.363 485 C C 1.063 176.015 174.990 -0.064 0.000 1.220 485 C CA 0.111 59.115 59.018 -0.025 0.000 2.379 485 C CB 0.307 28.025 27.740 -0.037 0.000 2.351 485 C HN 1.195 nan 8.230 nan 0.000 0.582 486 T N -0.896 113.608 114.554 -0.084 0.000 2.754 486 T HA 0.323 4.672 4.350 -0.003 0.000 0.286 486 T C 1.222 175.779 174.700 -0.239 0.000 0.997 486 T CA 0.529 62.538 62.100 -0.152 0.000 0.982 486 T CB 0.461 69.236 68.868 -0.155 0.000 1.027 486 T HN 1.055 nan 8.240 nan 0.000 0.529 487 T N -1.442 112.877 114.554 -0.393 0.000 2.977 487 T HA -0.100 4.248 4.350 -0.003 0.000 0.271 487 T C 1.152 175.657 174.700 -0.324 0.000 1.105 487 T CA 0.854 62.717 62.100 -0.394 0.000 1.116 487 T CB -0.703 67.915 68.868 -0.416 0.000 0.878 487 T HN 0.700 nan 8.240 nan 0.000 0.509 488 Y N 1.497 121.773 120.300 -0.040 0.000 2.490 488 Y HA 0.366 4.914 4.550 -0.003 0.000 0.281 488 Y C 1.710 177.581 175.900 -0.048 0.000 1.174 488 Y CA -0.822 57.257 58.100 -0.035 0.000 1.295 488 Y CB -0.322 38.112 38.460 -0.043 0.000 1.062 488 Y HN 0.401 nan 8.280 nan 0.000 0.522 489 E N 0.602 120.808 120.200 0.009 0.000 2.558 489 E HA 0.193 4.541 4.350 -0.003 0.000 0.205 489 E C 0.240 176.817 176.600 -0.039 0.000 1.006 489 E CA -0.213 56.181 56.400 -0.011 0.000 0.961 489 E CB 0.465 30.142 29.700 -0.039 0.000 1.044 489 E HN 0.372 nan 8.360 nan 0.000 0.465 490 R N -0.948 119.519 120.500 -0.055 0.000 2.762 490 R HA 0.418 4.756 4.340 -0.003 0.000 0.271 490 R C -1.184 175.121 176.300 0.008 0.000 1.038 490 R CA -0.955 55.096 56.100 -0.082 0.000 0.906 490 R CB 0.715 30.825 30.300 -0.318 0.000 1.259 490 R HN -0.196 nan 8.270 nan 0.000 0.457 491 N N 0.113 118.870 118.700 0.095 0.000 2.361 491 N HA 0.418 5.156 4.740 -0.003 0.000 0.302 491 N C -1.379 174.317 175.510 0.310 0.000 1.074 491 N CA -0.243 52.967 53.050 0.267 0.000 0.850 491 N CB 1.793 40.485 38.487 0.342 0.000 1.228 491 N HN 0.537 nan 8.380 nan 0.000 0.491 492 D N 0.225 120.839 120.400 0.356 0.000 2.838 492 D HA 0.550 5.188 4.640 -0.003 0.000 0.334 492 D C -1.398 175.116 176.300 0.357 0.000 1.315 492 D CA -0.304 53.893 54.000 0.328 0.000 0.917 492 D CB 1.952 42.892 40.800 0.234 0.000 1.435 492 D HN 0.238 nan 8.370 nan 0.000 0.517 493 I N 0.817 121.552 120.570 0.275 0.000 2.802 493 I HA 0.461 4.629 4.170 -0.003 0.000 0.298 493 I C -1.584 174.628 176.117 0.159 0.000 1.176 493 I CA -0.248 61.224 61.300 0.287 0.000 1.025 493 I CB 2.188 40.417 38.000 0.381 0.000 1.243 493 I HN 0.328 nan 8.210 nan 0.000 0.424 494 D N 3.105 123.584 120.400 0.132 0.000 2.623 494 D HA 0.392 5.030 4.640 -0.003 0.000 0.241 494 D C -1.774 174.573 176.300 0.080 0.000 1.241 494 D CA -0.230 53.807 54.000 0.063 0.000 0.788 494 D CB 2.186 42.985 40.800 -0.003 0.000 1.413 494 D HN 0.293 nan 8.370 nan 0.000 0.429 495 V N 2.408 122.365 119.914 0.073 0.000 2.785 495 V HA 0.401 4.519 4.120 -0.003 0.000 0.300 495 V C -0.857 175.344 176.094 0.178 0.000 1.062 495 V CA -0.367 62.003 62.300 0.118 0.000 1.029 495 V CB 1.186 33.064 31.823 0.092 0.000 1.024 495 V HN 0.550 nan 8.190 nan 0.000 0.477 496 Y N 4.854 125.184 120.300 0.051 0.000 2.454 496 Y HA 0.605 5.153 4.550 -0.003 0.000 0.345 496 Y C 0.496 176.429 175.900 0.054 0.000 0.970 496 Y CA -0.340 57.785 58.100 0.043 0.000 1.204 496 Y CB 0.315 38.842 38.460 0.112 0.000 1.122 496 Y HN 1.062 nan 8.280 nan 0.000 0.514 497 G N 3.989 112.820 108.800 0.051 0.000 3.439 497 G HA2 0.068 4.026 3.960 -0.003 0.000 0.684 497 G HA3 0.068 4.026 3.960 -0.003 0.000 0.684 497 G C 0.614 175.520 174.900 0.011 0.000 1.005 497 G CA -0.208 44.870 45.100 -0.036 0.000 0.837 497 G HN 1.138 nan 8.290 nan 0.000 0.470 498 A N 2.290 125.112 122.820 0.004 0.000 1.940 498 A HA 0.099 4.417 4.320 -0.003 0.000 0.219 498 A C 1.805 179.191 177.584 -0.330 0.000 1.176 498 A CA 2.550 54.510 52.037 -0.128 0.000 0.631 498 A CB -0.191 18.732 19.000 -0.129 0.000 0.814 498 A HN 1.185 nan 8.150 nan 0.000 0.446 499 Y N -2.080 118.220 120.300 -0.000 0.000 2.483 499 Y HA 0.414 4.962 4.550 -0.003 0.000 0.258 499 Y C 2.548 178.449 175.900 0.001 0.000 1.083 499 Y CA 0.127 58.225 58.100 -0.003 0.000 1.283 499 Y CB 0.005 38.459 38.460 -0.010 0.000 1.178 499 Y HN 0.266 nan 8.280 nan 0.000 0.515 500 A N 0.333 123.226 122.820 0.123 0.000 1.930 500 A HA -0.083 4.235 4.320 -0.003 0.000 0.215 500 A C 0.839 178.461 177.584 0.062 0.000 1.176 500 A CA 1.048 53.137 52.037 0.087 0.000 0.632 500 A CB -0.599 18.430 19.000 0.049 0.000 0.819 500 A HN 0.504 nan 8.150 nan 0.000 0.445 501 N N -1.957 116.773 118.700 0.050 0.000 2.727 501 N HA -0.204 4.534 4.740 -0.003 0.000 0.249 501 N C 0.577 176.184 175.510 0.160 0.000 1.048 501 N CA 0.928 54.022 53.050 0.074 0.000 0.714 501 N CB -0.850 37.626 38.487 -0.020 0.000 0.959 501 N HN 0.523 nan 8.380 nan 0.000 0.544 502 R N 0.015 120.598 120.500 0.139 0.000 2.120 502 R HA 0.143 4.481 4.340 -0.003 0.000 0.234 502 R C 1.340 177.691 176.300 0.085 0.000 1.123 502 R CA 1.757 57.931 56.100 0.123 0.000 0.975 502 R CB -0.090 30.266 30.300 0.094 0.000 0.866 502 R HN 0.536 nan 8.270 nan 0.000 0.446 503 G N -2.237 106.649 108.800 0.144 0.000 2.435 503 G HA2 0.356 4.314 3.960 -0.003 0.000 0.296 503 G HA3 0.356 4.314 3.960 -0.003 0.000 0.296 503 G C -1.555 173.246 174.900 -0.166 0.000 1.240 503 G CA -0.666 44.199 45.100 -0.391 0.000 0.872 503 G HN 0.005 nan 8.290 nan 0.000 0.480 504 I N 0.878 121.271 120.570 -0.294 0.000 2.534 504 I HA 0.447 4.615 4.170 -0.003 0.000 0.288 504 I C -0.542 175.675 176.117 0.166 0.000 1.077 504 I CA -0.512 60.778 61.300 -0.016 0.000 1.051 504 I CB 2.071 40.030 38.000 -0.069 0.000 1.234 504 I HN 0.241 nan 8.210 nan 0.000 0.425 505 L N 4.356 125.685 121.223 0.178 0.000 2.365 505 L HA 0.822 5.160 4.340 -0.003 0.000 0.267 505 L C 0.166 177.134 176.870 0.162 0.000 1.033 505 L CA -0.683 54.221 54.840 0.106 0.000 0.802 505 L CB 1.779 43.721 42.059 -0.194 0.000 1.267 505 L HN 0.683 nan 8.230 nan 0.000 0.457 506 A N 1.958 124.731 122.820 -0.078 0.000 2.318 506 A HA 0.715 5.033 4.320 -0.003 0.000 0.317 506 A C -0.721 176.726 177.584 -0.230 0.000 1.159 506 A CA -0.526 51.384 52.037 -0.212 0.000 0.799 506 A CB 0.905 19.420 19.000 -0.808 0.000 1.194 506 A HN 0.673 nan 8.150 nan 0.000 0.479 507 M N 3.085 122.656 119.600 -0.050 0.000 2.152 507 M HA 0.231 4.709 4.480 -0.003 0.000 0.354 507 M C -0.331 176.003 176.300 0.057 0.000 1.173 507 M CA 0.194 55.496 55.300 0.004 0.000 1.110 507 M CB 0.774 33.414 32.600 0.065 0.000 1.366 507 M HN 0.736 nan 8.290 nan 0.000 0.415 508 Q N 2.035 121.808 119.800 -0.045 0.000 2.235 508 Q HA 0.336 4.674 4.340 -0.003 0.000 0.250 508 Q C -0.321 175.746 176.000 0.113 0.000 0.909 508 Q CA -0.627 55.199 55.803 0.038 0.000 0.910 508 Q CB 1.913 30.561 28.738 -0.149 0.000 1.223 508 Q HN 0.412 nan 8.270 nan 0.000 0.432 509 K N 2.486 122.985 120.400 0.165 0.000 2.416 509 K HA 0.011 4.329 4.320 -0.003 0.000 0.283 509 K C 0.333 176.984 176.600 0.085 0.000 1.037 509 K CA 0.067 56.425 56.287 0.119 0.000 0.995 509 K CB 0.520 33.092 32.500 0.120 0.000 0.938 509 K HN 0.645 nan 8.250 nan 0.000 0.475 510 M N 3.091 122.735 119.600 0.073 0.000 2.557 510 M HA 0.032 4.510 4.480 -0.003 0.000 0.262 510 M C 0.798 177.114 176.300 0.027 0.000 1.168 510 M CA 0.723 56.047 55.300 0.039 0.000 1.194 510 M CB -0.358 32.261 32.600 0.033 0.000 1.311 510 M HN 0.538 nan 8.290 nan 0.000 0.489 511 V N -2.666 117.268 119.914 0.032 0.000 3.182 511 V HA 0.542 4.660 4.120 -0.003 0.000 0.308 511 V C -0.522 175.579 176.094 0.012 0.000 1.240 511 V CA -1.259 61.053 62.300 0.021 0.000 1.063 511 V CB 2.130 33.971 31.823 0.031 0.000 1.076 511 V HN 0.091 nan 8.190 nan 0.000 0.446 512 E N 1.495 121.696 120.200 0.003 0.000 2.383 512 E HA 0.365 4.713 4.350 -0.003 0.000 0.264 512 E C -2.529 174.057 176.600 -0.022 0.000 1.050 512 E CA -1.659 54.738 56.400 -0.005 0.000 0.896 512 E CB 0.765 30.461 29.700 -0.006 0.000 0.982 512 E HN 0.586 nan 8.360 nan 0.000 0.424 513 P HA -0.023 nan 4.420 nan 0.000 0.262 513 P C -0.296 176.984 177.300 -0.034 0.000 1.182 513 P CA 0.402 63.489 63.100 -0.022 0.000 0.761 513 P CB 0.359 32.055 31.700 -0.005 0.000 0.795 514 L N 4.128 125.310 121.223 -0.067 0.000 2.436 514 L HA 0.267 4.605 4.340 -0.003 0.000 0.265 514 L C 0.920 177.775 176.870 -0.025 0.000 1.168 514 L CA -0.357 54.371 54.840 -0.187 0.000 0.815 514 L CB -0.344 41.513 42.059 -0.337 0.000 1.109 514 L HN 0.444 nan 8.230 nan 0.000 0.462 515 F N 0.093 120.068 119.950 0.042 0.000 2.169 515 F HA -0.370 4.155 4.527 -0.003 0.000 0.314 515 F C 1.075 176.934 175.800 0.099 0.000 0.318 515 F CA 1.436 59.468 58.000 0.054 0.000 0.904 515 F CB -0.990 38.009 39.000 -0.002 0.000 4.078 515 F HN 0.542 nan 8.300 nan 0.000 0.173 516 D N 0.308 120.941 120.400 0.388 0.000 2.358 516 D HA 0.232 4.870 4.640 -0.003 0.000 0.224 516 D C 0.226 176.771 176.300 0.409 0.000 1.123 516 D CA 0.781 55.004 54.000 0.371 0.000 0.833 516 D CB -0.129 40.911 40.800 0.400 0.000 0.946 516 D HN 0.576 nan 8.370 nan 0.000 0.505 517 S N -0.036 115.840 115.700 0.293 0.000 2.579 517 S HA 0.409 4.877 4.470 -0.003 0.000 0.275 517 S C 0.009 174.698 174.600 0.148 0.000 1.345 517 S CA -0.395 57.951 58.200 0.244 0.000 1.031 517 S CB 0.967 64.259 63.200 0.154 0.000 0.892 517 S HN 0.133 nan 8.310 nan 0.000 0.529 518 L N 1.550 122.827 121.223 0.090 0.000 2.376 518 L HA 0.526 4.864 4.340 -0.003 0.000 0.258 518 L C 0.279 177.115 176.870 -0.056 0.000 1.013 518 L CA -1.080 53.722 54.840 -0.063 0.000 0.822 518 L CB 2.361 44.247 42.059 -0.288 0.000 1.388 518 L HN 0.940 nan 8.230 nan 0.000 0.413 519 S N -1.587 114.073 115.700 -0.066 0.000 2.585 519 S HA 0.081 4.549 4.470 -0.003 0.000 0.273 519 S C 0.311 174.897 174.600 -0.024 0.000 1.339 519 S CA -0.369 57.813 58.200 -0.030 0.000 1.028 519 S CB 1.056 64.274 63.200 0.030 0.000 0.906 519 S HN 0.674 nan 8.310 nan 0.000 0.528 520 D N 0.379 120.784 120.400 0.008 0.000 2.218 520 D HA -0.035 4.603 4.640 -0.003 0.000 0.204 520 D C 1.186 177.375 176.300 -0.186 0.000 0.976 520 D CA 0.986 54.968 54.000 -0.031 0.000 0.853 520 D CB -0.203 40.613 40.800 0.026 0.000 0.939 520 D HN 0.563 nan 8.370 nan 0.000 0.481 521 F N 1.600 121.277 119.950 -0.456 0.000 2.084 521 F HA -0.097 4.428 4.527 -0.003 0.000 0.296 521 F C 2.248 177.928 175.800 -0.200 0.000 1.111 521 F CA 1.268 58.926 58.000 -0.570 0.000 1.224 521 F CB -0.611 38.131 39.000 -0.429 0.000 0.991 521 F HN -0.160 nan 8.300 nan 0.000 0.471 522 E N 0.679 120.781 120.200 -0.165 0.000 2.058 522 E HA -0.205 4.143 4.350 -0.003 0.000 0.194 522 E C 2.306 178.713 176.600 -0.322 0.000 0.997 522 E CA 2.095 58.322 56.400 -0.288 0.000 0.801 522 E CB -0.579 28.979 29.700 -0.237 0.000 0.746 522 E HN 0.537 nan 8.360 nan 0.000 0.450 523 I N -0.368 120.006 120.570 -0.327 0.000 2.118 523 I HA -0.266 3.902 4.170 -0.003 0.000 0.241 523 I C 1.679 177.509 176.117 -0.478 0.000 1.070 523 I CA 1.303 62.325 61.300 -0.465 0.000 1.327 523 I CB -0.374 37.342 38.000 -0.474 0.000 1.034 523 I HN 0.131 nan 8.210 nan 0.000 0.405 524 F N 0.440 120.340 119.950 -0.083 0.000 2.780 524 F HA -0.036 4.489 4.527 -0.003 0.000 0.299 524 F C 2.455 178.065 175.800 -0.317 0.000 1.146 524 F CA 0.723 58.669 58.000 -0.090 0.000 1.428 524 F CB -0.724 38.280 39.000 0.007 0.000 1.115 524 F HN -0.037 nan 8.300 nan 0.000 0.583 525 T N -0.790 113.651 114.554 -0.189 0.000 2.937 525 T HA -0.049 4.299 4.350 -0.003 0.000 0.260 525 T C 2.169 176.769 174.700 -0.166 0.000 1.051 525 T CA 0.800 62.755 62.100 -0.242 0.000 1.141 525 T CB -0.004 68.701 68.868 -0.272 0.000 0.879 525 T HN 0.168 nan 8.240 nan 0.000 0.459 526 R N 0.078 120.483 120.500 -0.158 0.000 2.092 526 R HA 0.015 4.353 4.340 -0.003 0.000 0.231 526 R C 2.145 178.422 176.300 -0.037 0.000 1.119 526 R CA 1.122 57.153 56.100 -0.116 0.000 0.970 526 R CB -0.448 29.753 30.300 -0.166 0.000 0.864 526 R HN 0.340 nan 8.270 nan 0.000 0.440 527 F N 1.506 121.370 119.950 -0.143 0.000 2.134 527 F HA -0.143 4.382 4.527 -0.003 0.000 0.299 527 F C 2.244 178.000 175.800 -0.072 0.000 1.097 527 F CA 1.355 59.311 58.000 -0.074 0.000 1.264 527 F CB -0.310 38.699 39.000 0.014 0.000 1.001 527 F HN -0.031 nan 8.300 nan 0.000 0.479 528 A N 0.281 123.057 122.820 -0.075 0.000 1.972 528 A HA -0.042 4.276 4.320 -0.003 0.000 0.219 528 A C 2.391 179.900 177.584 -0.126 0.000 1.169 528 A CA 1.584 53.543 52.037 -0.131 0.000 0.635 528 A CB -1.486 17.421 19.000 -0.155 0.000 0.810 528 A HN 0.497 nan 8.150 nan 0.000 0.446 529 A N -0.471 122.282 122.820 -0.111 0.000 1.902 529 A HA -0.006 4.312 4.320 -0.003 0.000 0.217 529 A C 2.189 179.706 177.584 -0.111 0.000 1.181 529 A CA 1.724 53.711 52.037 -0.082 0.000 0.623 529 A CB -0.898 18.062 19.000 -0.067 0.000 0.818 529 A HN 0.394 nan 8.150 nan 0.000 0.443 530 V N 0.113 119.920 119.914 -0.177 0.000 2.392 530 V HA -0.241 3.877 4.120 -0.003 0.000 0.249 530 V C 2.331 178.309 176.094 -0.193 0.000 1.059 530 V CA 1.893 64.076 62.300 -0.194 0.000 1.051 530 V CB -0.715 30.939 31.823 -0.282 0.000 0.658 530 V HN 0.576 nan 8.190 nan 0.000 0.455 531 L N 0.309 121.380 121.223 -0.253 0.000 2.610 531 L HA 0.216 4.554 4.340 -0.003 0.000 0.232 531 L C 1.781 178.607 176.870 -0.074 0.000 1.149 531 L CA 0.846 55.591 54.840 -0.159 0.000 0.872 531 L CB -0.692 41.267 42.059 -0.167 0.000 0.992 531 L HN 0.559 nan 8.230 nan 0.000 0.447 532 G N 0.746 109.507 108.800 -0.066 0.000 2.143 532 G HA2 -0.309 3.649 3.960 -0.003 0.000 0.248 532 G HA3 -0.309 3.649 3.960 -0.003 0.000 0.248 532 G C 0.395 175.294 174.900 -0.002 0.000 0.991 532 G CA 0.121 45.204 45.100 -0.029 0.000 0.689 532 G HN 0.443 nan 8.290 nan 0.000 0.522 533 K N -0.026 120.380 120.400 0.010 0.000 3.163 533 K HA 0.260 4.578 4.320 -0.003 0.000 0.186 533 K C 1.032 177.697 176.600 0.109 0.000 1.111 533 K CA -0.096 56.228 56.287 0.062 0.000 0.918 533 K CB 0.824 33.374 32.500 0.082 0.000 1.059 533 K HN 0.405 nan 8.250 nan 0.000 0.558 534 E N 1.312 121.563 120.200 0.084 0.000 2.016 534 E HA -0.160 4.188 4.350 -0.003 0.000 0.190 534 E C 1.020 177.735 176.600 0.192 0.000 0.985 534 E CA 1.350 57.819 56.400 0.115 0.000 0.802 534 E CB 0.380 30.111 29.700 0.052 0.000 0.762 534 E HN 0.052 nan 8.360 nan 0.000 0.448 535 K N 0.988 121.471 120.400 0.138 0.000 2.032 535 K HA -0.182 4.136 4.320 -0.003 0.000 0.209 535 K C 1.987 178.689 176.600 0.171 0.000 1.048 535 K CA 1.798 58.170 56.287 0.141 0.000 0.927 535 K CB -0.233 32.319 32.500 0.086 0.000 0.712 535 K HN 0.113 nan 8.250 nan 0.000 0.441 536 E N -0.880 119.415 120.200 0.159 0.000 2.085 536 E HA -0.206 4.143 4.350 -0.003 0.000 0.194 536 E C 1.832 178.561 176.600 0.214 0.000 0.994 536 E CA 1.319 57.810 56.400 0.151 0.000 0.801 536 E CB -0.374 29.404 29.700 0.131 0.000 0.743 536 E HN 0.379 nan 8.360 nan 0.000 0.453 537 Y N 1.180 121.587 120.300 0.178 0.000 2.089 537 Y HA -0.252 4.296 4.550 -0.003 0.000 0.282 537 Y C 2.452 178.581 175.900 0.380 0.000 1.139 537 Y CA 2.207 60.463 58.100 0.259 0.000 1.123 537 Y CB -0.596 38.028 38.460 0.273 0.000 0.980 537 Y HN 0.168 nan 8.280 nan 0.000 0.493 538 T N -2.226 112.629 114.554 0.501 0.000 3.118 538 T HA 0.056 4.404 4.350 -0.003 0.000 0.260 538 T C 1.070 176.101 174.700 0.551 0.000 1.139 538 T CA 0.666 63.152 62.100 0.643 0.000 1.085 538 T CB -0.333 68.897 68.868 0.604 0.000 0.934 538 T HN 0.491 nan 8.240 nan 0.000 0.518 539 R N 0.437 121.108 120.500 0.285 0.000 3.953 539 R HA -0.213 4.125 4.340 -0.003 0.000 0.340 539 R C 0.179 176.513 176.300 0.056 0.000 1.195 539 R CA 0.600 56.766 56.100 0.110 0.000 0.929 539 R CB -2.466 27.831 30.300 -0.005 0.000 1.402 539 R HN 0.602 nan 8.270 nan 0.000 0.540 540 N N -0.564 118.219 118.700 0.139 0.000 2.783 540 N HA -0.159 4.579 4.740 -0.003 0.000 0.247 540 N C -0.983 174.564 175.510 0.062 0.000 1.089 540 N CA 1.876 54.981 53.050 0.092 0.000 0.690 540 N CB -0.313 38.194 38.487 0.033 0.000 0.991 540 N HN 0.447 nan 8.380 nan 0.000 0.552 541 M N -0.826 118.865 119.600 0.153 0.000 2.531 541 M HA 0.573 5.052 4.480 -0.003 0.000 0.286 541 M C 0.899 177.436 176.300 0.395 0.000 1.232 541 M CA -0.494 54.867 55.300 0.102 0.000 0.877 541 M CB 2.256 34.679 32.600 -0.295 0.000 1.726 541 M HN 0.140 nan 8.290 nan 0.000 0.463 542 G N -0.217 108.771 108.800 0.314 0.000 2.568 542 G HA2 0.307 4.265 3.960 -0.003 0.000 0.293 542 G HA3 0.307 4.265 3.960 -0.003 0.000 0.293 542 G C 0.328 175.535 174.900 0.512 0.000 1.347 542 G CA -0.206 45.137 45.100 0.405 0.000 1.039 542 G HN 0.899 nan 8.290 nan 0.000 0.523 543 E N -0.931 119.521 120.200 0.419 0.000 2.033 543 E HA -0.206 4.142 4.350 -0.003 0.000 0.199 543 E C 2.372 179.091 176.600 0.199 0.000 1.011 543 E CA 1.481 58.071 56.400 0.318 0.000 0.815 543 E CB -0.122 29.746 29.700 0.279 0.000 0.755 543 E HN 0.314 nan 8.360 nan 0.000 0.451 544 M N 0.489 120.149 119.600 0.100 0.000 2.229 544 M HA -0.087 4.391 4.480 -0.003 0.000 0.264 544 M C 1.952 178.200 176.300 -0.087 0.000 1.063 544 M CA 1.338 56.621 55.300 -0.030 0.000 1.114 544 M CB -0.828 31.722 32.600 -0.083 0.000 1.387 544 M HN 0.182 nan 8.290 nan 0.000 0.420 545 E N -1.025 119.163 120.200 -0.020 0.000 2.110 545 E HA -0.215 4.133 4.350 -0.003 0.000 0.193 545 E C 1.956 178.488 176.600 -0.113 0.000 0.988 545 E CA 1.172 57.512 56.400 -0.101 0.000 0.804 545 E CB -0.159 29.493 29.700 -0.081 0.000 0.745 545 E HN 0.538 nan 8.360 nan 0.000 0.458 546 W N 1.091 122.350 121.300 -0.068 0.000 2.355 546 W HA -0.116 4.542 4.660 -0.003 0.000 0.309 546 W C 2.100 178.565 176.519 -0.090 0.000 1.206 546 W CA 0.763 58.066 57.345 -0.069 0.000 1.284 546 W CB -0.250 29.166 29.460 -0.073 0.000 1.145 546 W HN 0.029 nan 8.180 nan 0.000 0.502 547 L N -0.187 121.132 121.223 0.159 0.000 2.046 547 L HA -0.240 4.098 4.340 -0.003 0.000 0.208 547 L C 2.379 179.193 176.870 -0.093 0.000 1.077 547 L CA 1.689 56.594 54.840 0.109 0.000 0.747 547 L CB -0.958 41.196 42.059 0.157 0.000 0.896 547 L HN 0.093 nan 8.230 nan 0.000 0.432 548 E N -0.260 119.652 120.200 -0.479 0.000 2.106 548 E HA -0.195 4.153 4.350 -0.003 0.000 0.192 548 E C 1.983 178.420 176.600 -0.272 0.000 0.984 548 E CA 1.599 57.510 56.400 -0.815 0.000 0.806 548 E CB 0.141 29.322 29.700 -0.865 0.000 0.750 548 E HN 0.369 nan 8.360 nan 0.000 0.458 549 T N 1.099 115.544 114.554 -0.182 0.000 2.821 549 T HA -0.083 4.265 4.350 -0.003 0.000 0.267 549 T C 1.791 176.470 174.700 -0.034 0.000 1.046 549 T CA 0.888 62.911 62.100 -0.127 0.000 1.139 549 T CB -0.046 68.686 68.868 -0.226 0.000 0.871 549 T HN 0.158 nan 8.240 nan 0.000 0.454 550 L N -0.612 120.637 121.223 0.044 0.000 2.179 550 L HA 0.026 4.364 4.340 -0.003 0.000 0.208 550 L C 2.269 179.195 176.870 0.093 0.000 1.096 550 L CA 1.080 55.972 54.840 0.087 0.000 0.779 550 L CB -0.487 41.662 42.059 0.149 0.000 0.922 550 L HN 0.271 nan 8.230 nan 0.000 0.443 551 Y N 1.297 121.610 120.300 0.022 0.000 2.153 551 Y HA -0.194 4.354 4.550 -0.003 0.000 0.289 551 Y C 2.469 178.372 175.900 0.005 0.000 1.127 551 Y CA 1.571 59.689 58.100 0.029 0.000 1.131 551 Y CB -0.113 38.456 38.460 0.182 0.000 0.995 551 Y HN 0.156 nan 8.280 nan 0.000 0.505 552 N N 0.764 119.525 118.700 0.102 0.000 2.149 552 N HA -0.215 4.524 4.740 -0.003 0.000 0.188 552 N C 1.619 177.080 175.510 -0.082 0.000 1.019 552 N CA 1.870 54.925 53.050 0.009 0.000 0.857 552 N CB -0.502 38.013 38.487 0.047 0.000 0.997 552 N HN 0.747 nan 8.380 nan 0.000 0.426 553 E N -0.086 120.072 120.200 -0.070 0.000 2.106 553 E HA -0.106 4.243 4.350 -0.003 0.000 0.192 553 E C 2.165 178.702 176.600 -0.104 0.000 0.984 553 E CA 1.013 57.368 56.400 -0.075 0.000 0.806 553 E CB -0.841 28.826 29.700 -0.055 0.000 0.750 553 E HN 0.345 nan 8.360 nan 0.000 0.458 554 C N 1.245 120.457 119.300 -0.146 0.000 2.446 554 C HA -0.007 4.451 4.460 -0.003 0.000 0.277 554 C C 2.667 177.535 174.990 -0.203 0.000 1.275 554 C CA 1.324 60.239 59.018 -0.171 0.000 1.727 554 C CB -0.852 26.775 27.740 -0.188 0.000 2.010 554 C HN 0.583 nan 8.230 nan 0.000 0.486 555 K N 0.542 120.766 120.400 -0.293 0.000 2.147 555 K HA -0.064 4.254 4.320 -0.003 0.000 0.205 555 K C 2.104 178.641 176.600 -0.105 0.000 1.049 555 K CA 1.492 57.642 56.287 -0.228 0.000 0.936 555 K CB -0.310 32.015 32.500 -0.293 0.000 0.722 555 K HN 0.550 nan 8.250 nan 0.000 0.446 556 A N 1.178 123.942 122.820 -0.094 0.000 1.873 556 A HA -0.075 4.243 4.320 -0.003 0.000 0.215 556 A C 2.368 179.923 177.584 -0.048 0.000 1.186 556 A CA 1.766 53.770 52.037 -0.055 0.000 0.616 556 A CB -0.877 18.093 19.000 -0.051 0.000 0.823 556 A HN 0.470 nan 8.150 nan 0.000 0.442 557 A N 0.147 122.928 122.820 -0.065 0.000 1.902 557 A HA -0.170 4.148 4.320 -0.003 0.000 0.217 557 A C 1.766 179.324 177.584 -0.044 0.000 1.181 557 A CA 1.635 53.636 52.037 -0.058 0.000 0.623 557 A CB -0.571 18.383 19.000 -0.077 0.000 0.818 557 A HN 0.545 nan 8.150 nan 0.000 0.443 558 N N 0.245 118.913 118.700 -0.054 0.000 2.521 558 N HA 0.081 4.819 4.740 -0.003 0.000 0.188 558 N C 1.643 177.195 175.510 0.070 0.000 1.146 558 N CA 0.829 53.884 53.050 0.008 0.000 0.893 558 N CB -0.251 38.198 38.487 -0.064 0.000 0.975 558 N HN 0.481 nan 8.380 nan 0.000 0.451 559 A N 1.060 123.895 122.820 0.025 0.000 1.940 559 A HA -0.188 4.130 4.320 -0.003 0.000 0.221 559 A C 2.357 179.957 177.584 0.028 0.000 1.190 559 A CA 2.193 54.247 52.037 0.028 0.000 0.647 559 A CB -1.217 17.788 19.000 0.008 0.000 0.821 559 A HN 0.358 nan 8.150 nan 0.000 0.457 560 G N -1.307 107.504 108.800 0.018 0.000 2.402 560 G HA2 -0.158 3.801 3.960 -0.003 0.000 0.216 560 G HA3 -0.158 3.801 3.960 -0.003 0.000 0.216 560 G C 1.593 176.472 174.900 -0.034 0.000 1.162 560 G CA 1.539 46.637 45.100 -0.003 0.000 0.777 560 G HN 0.551 nan 8.290 nan 0.000 0.539 561 K N -1.139 119.238 120.400 -0.039 0.000 2.391 561 K HA 0.336 4.654 4.320 -0.003 0.000 0.197 561 K C -0.662 175.644 176.600 -0.489 0.000 1.087 561 K CA -0.335 55.801 56.287 -0.251 0.000 1.012 561 K CB 0.286 32.590 32.500 -0.326 0.000 0.925 561 K HN 0.174 nan 8.250 nan 0.000 0.547 562 F N 1.512 121.449 119.950 -0.022 0.000 2.540 562 F HA 0.439 4.964 4.527 -0.003 0.000 0.317 562 F C -0.002 175.832 175.800 0.056 0.000 1.104 562 F CA -1.135 56.883 58.000 0.030 0.000 0.913 562 F CB 1.601 40.607 39.000 0.010 0.000 1.170 562 F HN -0.263 nan 8.300 nan 0.000 0.450 563 E N 3.277 123.620 120.200 0.240 0.000 2.313 563 E HA 0.580 4.928 4.350 -0.003 0.000 0.272 563 E C -0.746 175.976 176.600 0.202 0.000 1.038 563 E CA -0.318 56.185 56.400 0.172 0.000 0.863 563 E CB 1.974 31.749 29.700 0.126 0.000 1.060 563 E HN 0.627 nan 8.360 nan 0.000 0.402 564 M N 2.321 122.015 119.600 0.156 0.000 2.413 564 M HA 0.286 4.764 4.480 -0.003 0.000 0.287 564 M C -2.446 173.961 176.300 0.178 0.000 1.186 564 M CA -1.599 53.798 55.300 0.162 0.000 0.927 564 M CB 2.915 35.577 32.600 0.103 0.000 1.715 564 M HN 0.269 nan 8.290 nan 0.000 0.478 565 P HA 0.298 nan 4.420 nan 0.000 0.302 565 P C -1.476 176.001 177.300 0.295 0.000 1.307 565 P CA -0.376 62.851 63.100 0.212 0.000 0.754 565 P CB 0.250 32.060 31.700 0.184 0.000 1.298 566 D N -1.787 118.755 120.400 0.237 0.000 2.329 566 D HA 0.012 4.650 4.640 -0.003 0.000 0.246 566 D C 1.043 177.476 176.300 0.222 0.000 1.111 566 D CA -0.582 53.583 54.000 0.274 0.000 0.941 566 D CB 0.091 41.010 40.800 0.199 0.000 1.169 566 D HN 0.227 nan 8.370 nan 0.000 0.441 567 F N 1.362 121.343 119.950 0.050 0.000 2.063 567 F HA -0.273 4.252 4.527 -0.003 0.000 0.298 567 F C 2.380 178.207 175.800 0.046 0.000 1.109 567 F CA 2.671 60.584 58.000 -0.146 0.000 1.212 567 F CB -0.634 38.323 39.000 -0.072 0.000 0.973 567 F HN 0.483 nan 8.300 nan 0.000 0.480 568 A N -0.662 122.236 122.820 0.131 0.000 1.892 568 A HA -0.257 4.061 4.320 -0.003 0.000 0.218 568 A C 2.195 179.780 177.584 0.001 0.000 1.188 568 A CA 2.637 54.709 52.037 0.058 0.000 0.631 568 A CB -1.492 17.573 19.000 0.108 0.000 0.822 568 A HN 0.492 nan 8.150 nan 0.000 0.447 569 T N -0.755 113.819 114.554 0.035 0.000 2.737 569 T HA -0.108 4.240 4.350 -0.003 0.000 0.265 569 T C 1.626 176.324 174.700 -0.004 0.000 1.038 569 T CA 1.431 63.552 62.100 0.034 0.000 1.144 569 T CB -0.460 68.455 68.868 0.079 0.000 0.866 569 T HN 0.522 nan 8.240 nan 0.000 0.434 570 F N 1.108 120.954 119.950 -0.172 0.000 2.065 570 F HA -0.163 4.362 4.527 -0.003 0.000 0.298 570 F C 2.256 177.914 175.800 -0.236 0.000 1.112 570 F CA 1.227 59.086 58.000 -0.234 0.000 1.212 570 F CB -0.589 38.124 39.000 -0.478 0.000 0.975 570 F HN 0.253 nan 8.300 nan 0.000 0.476 571 W N 1.897 122.647 121.300 -0.916 0.000 2.338 571 W HA -0.237 4.421 4.660 -0.003 0.000 0.304 571 W C 2.210 178.428 176.519 -0.503 0.000 1.212 571 W CA 2.123 58.936 57.345 -0.886 0.000 1.264 571 W CB -0.310 28.718 29.460 -0.721 0.000 1.142 571 W HN 0.134 nan 8.180 nan 0.000 0.512 572 K N -0.047 120.234 120.400 -0.198 0.000 2.057 572 K HA -0.214 4.104 4.320 -0.003 0.000 0.207 572 K C 2.110 178.591 176.600 -0.198 0.000 1.049 572 K CA 1.604 57.802 56.287 -0.148 0.000 0.931 572 K CB -0.382 32.090 32.500 -0.045 0.000 0.714 572 K HN 0.275 nan 8.250 nan 0.000 0.440 573 Q N -0.884 118.796 119.800 -0.201 0.000 2.046 573 Q HA -0.068 4.270 4.340 -0.003 0.000 0.200 573 Q C 1.349 177.235 176.000 -0.189 0.000 0.975 573 Q CA 1.327 57.051 55.803 -0.131 0.000 0.836 573 Q CB 0.161 28.872 28.738 -0.046 0.000 0.896 573 Q HN 0.584 nan 8.270 nan 0.000 0.428 574 G N -0.506 108.043 108.800 -0.419 0.000 2.175 574 G HA2 -0.306 3.652 3.960 -0.003 0.000 0.244 574 G HA3 -0.306 3.652 3.960 -0.003 0.000 0.244 574 G C -0.414 174.377 174.900 -0.181 0.000 0.982 574 G CA 0.343 45.162 45.100 -0.468 0.000 0.641 574 G HN 0.328 nan 8.290 nan 0.000 0.527 575 Y N -1.234 118.970 120.300 -0.160 0.000 2.565 575 Y HA 0.556 5.104 4.550 -0.003 0.000 0.330 575 Y C -1.567 174.445 175.900 0.188 0.000 1.150 575 Y CA -0.651 57.490 58.100 0.069 0.000 1.055 575 Y CB 1.774 40.318 38.460 0.139 0.000 1.337 575 Y HN 0.719 nan 8.280 nan 0.000 0.457 576 V N 6.212 125.792 119.914 -0.556 0.000 2.524 576 V HA 0.408 4.526 4.120 -0.003 0.000 0.297 576 V C -1.418 174.073 176.094 -1.005 0.000 1.035 576 V CA -0.316 61.686 62.300 -0.497 0.000 0.867 576 V CB 1.064 32.794 31.823 -0.155 0.000 1.004 576 V HN 0.962 nan 8.190 nan 0.000 0.426 577 H N 5.361 123.985 119.070 -0.742 0.000 2.629 577 H HA 0.478 5.032 4.556 -0.003 0.000 0.357 577 H C -0.300 174.876 175.328 -0.254 0.000 1.121 577 H CA 0.444 56.220 56.048 -0.454 0.000 1.406 577 H CB 1.139 30.889 29.762 -0.020 0.000 1.456 577 H HN 0.602 nan 8.280 nan 0.000 0.579 578 F N 1.450 121.150 119.950 -0.416 0.000 2.485 578 F HA 0.466 4.992 4.527 -0.003 0.000 0.274 578 F C 1.472 177.313 175.800 0.068 0.000 0.963 578 F CA 0.952 58.871 58.000 -0.134 0.000 1.169 578 F CB -0.182 38.629 39.000 -0.315 0.000 1.145 578 F HN 0.767 nan 8.300 nan 0.000 0.682 579 G N -0.435 108.424 108.800 0.099 0.000 2.362 579 G HA2 0.168 4.126 3.960 -0.003 0.000 0.288 579 G HA3 0.168 4.126 3.960 -0.003 0.000 0.288 579 G C -2.029 173.012 174.900 0.235 0.000 1.305 579 G CA -0.923 44.341 45.100 0.273 0.000 0.910 579 G HN -0.036 nan 8.290 nan 0.000 0.518 580 D N -0.388 120.156 120.400 0.240 0.000 2.385 580 D HA 0.648 5.286 4.640 -0.003 0.000 0.254 580 D C 0.618 177.021 176.300 0.171 0.000 1.053 580 D CA 0.505 54.625 54.000 0.199 0.000 0.992 580 D CB 1.793 42.710 40.800 0.196 0.000 1.145 580 D HN 0.756 nan 8.370 nan 0.000 0.523 581 G N -0.608 108.284 108.800 0.153 0.000 3.108 581 G HA2 0.447 4.405 3.960 -0.003 0.000 0.268 581 G HA3 0.447 4.405 3.960 -0.003 0.000 0.268 581 G C -0.889 174.087 174.900 0.126 0.000 1.361 581 G CA -0.249 44.928 45.100 0.129 0.000 1.047 581 G HN 0.306 nan 8.290 nan 0.000 0.540 582 E N -0.631 119.638 120.200 0.114 0.000 2.212 582 E HA 0.489 4.837 4.350 -0.003 0.000 0.270 582 E C 0.484 177.172 176.600 0.147 0.000 0.956 582 E CA -0.610 55.863 56.400 0.122 0.000 0.825 582 E CB 1.713 31.477 29.700 0.107 0.000 1.167 582 E HN 0.613 nan 8.360 nan 0.000 0.400 583 V N 0.952 120.957 119.914 0.152 0.000 3.139 583 V HA 0.420 4.538 4.120 -0.003 0.000 0.307 583 V C -0.350 175.898 176.094 0.257 0.000 1.095 583 V CA -0.220 62.184 62.300 0.173 0.000 1.160 583 V CB 0.299 32.198 31.823 0.126 0.000 1.003 583 V HN 0.766 nan 8.190 nan 0.000 0.489 584 W N 1.331 122.636 121.300 0.008 0.000 3.296 584 W HA 0.650 5.309 4.660 -0.002 0.000 0.314 584 W C -1.044 175.459 176.519 -0.027 0.000 1.238 584 W CA -0.345 56.998 57.345 -0.003 0.000 1.193 584 W CB 1.699 31.160 29.460 0.003 0.000 1.383 584 W HN 0.767 nan 8.180 nan 0.000 0.545 585 T N 4.998 119.028 114.554 -0.872 0.000 2.779 585 T HA 0.208 4.557 4.350 -0.003 0.000 0.280 585 T C 0.834 174.629 174.700 -1.510 0.000 0.987 585 T CA -0.604 60.976 62.100 -0.866 0.000 0.966 585 T CB 1.740 70.316 68.868 -0.487 0.000 0.933 585 T HN 0.563 nan 8.240 nan 0.000 0.442 586 R N 1.893 121.698 120.500 -1.158 0.000 2.171 586 R HA -0.160 4.178 4.340 -0.003 0.000 0.232 586 R C 1.191 177.037 176.300 -0.758 0.000 1.116 586 R CA 2.009 57.460 56.100 -1.081 0.000 0.901 586 R CB -0.378 29.531 30.300 -0.651 0.000 0.850 586 R HN 0.686 nan 8.270 nan 0.000 0.431 587 H N -0.697 118.236 119.070 -0.228 0.000 2.524 587 H HA 0.371 4.925 4.556 -0.003 0.000 0.299 587 H C 1.076 176.398 175.328 -0.009 0.000 1.074 587 H CA 0.414 56.439 56.048 -0.038 0.000 1.115 587 H CB 0.402 30.201 29.762 0.062 0.000 1.522 587 H HN 0.431 nan 8.280 nan 0.000 0.543 588 A N 0.851 123.637 122.820 -0.056 0.000 1.940 588 A HA -0.178 4.140 4.320 -0.003 0.000 0.219 588 A C 2.009 179.628 177.584 0.058 0.000 1.176 588 A CA 1.537 53.553 52.037 -0.035 0.000 0.631 588 A CB -0.021 18.898 19.000 -0.135 0.000 0.814 588 A HN 0.275 nan 8.150 nan 0.000 0.446 589 D N -0.982 119.486 120.400 0.112 0.000 2.084 589 D HA -0.156 4.482 4.640 -0.003 0.000 0.194 589 D C 1.670 178.092 176.300 0.204 0.000 0.990 589 D CA 1.543 55.636 54.000 0.154 0.000 0.826 589 D CB -0.494 40.417 40.800 0.184 0.000 0.971 589 D HN 0.476 nan 8.370 nan 0.000 0.453 590 F N 2.018 122.038 119.950 0.116 0.000 2.202 590 F HA -0.164 4.362 4.527 -0.002 0.000 0.301 590 F C 2.200 178.111 175.800 0.186 0.000 1.082 590 F CA 1.127 59.210 58.000 0.139 0.000 1.313 590 F CB 0.048 39.129 39.000 0.134 0.000 1.024 590 F HN -0.232 nan 8.300 nan 0.000 0.495 591 R N 0.859 121.383 120.500 0.039 0.000 2.073 591 R HA -0.099 4.239 4.340 -0.003 0.000 0.229 591 R C 1.923 178.237 176.300 0.024 0.000 1.120 591 R CA 1.290 57.342 56.100 -0.079 0.000 0.967 591 R CB -1.038 29.248 30.300 -0.024 0.000 0.862 591 R HN 0.333 nan 8.270 nan 0.000 0.436 592 N N 0.653 119.375 118.700 0.037 0.000 2.120 592 N HA -0.128 4.610 4.740 -0.003 0.000 0.188 592 N C -0.189 175.338 175.510 0.028 0.000 1.024 592 N CA 1.183 54.255 53.050 0.037 0.000 0.852 592 N CB 0.026 38.535 38.487 0.038 0.000 1.003 592 N HN 0.128 nan 8.380 nan 0.000 0.424 593 D N -1.783 118.627 120.400 0.017 0.000 2.312 593 D HA 0.114 4.752 4.640 -0.003 0.000 0.229 593 D C -2.323 173.960 176.300 -0.029 0.000 1.337 593 D CA -1.109 52.880 54.000 -0.019 0.000 0.964 593 D CB 1.543 42.343 40.800 -0.001 0.000 1.456 593 D HN -0.052 nan 8.370 nan 0.000 0.547 594 P HA -0.050 nan 4.420 nan 0.000 0.234 594 P C 0.873 178.187 177.300 0.024 0.000 1.167 594 P CA 0.578 63.607 63.100 -0.118 0.000 0.763 594 P CB 0.878 32.294 31.700 -0.473 0.000 0.835 595 E N -0.082 120.104 120.200 -0.023 0.000 2.122 595 E HA 0.034 4.382 4.350 -0.003 0.000 0.190 595 E C 2.035 178.654 176.600 0.031 0.000 0.977 595 E CA 0.662 57.060 56.400 -0.002 0.000 0.820 595 E CB -0.541 29.141 29.700 -0.030 0.000 0.770 595 E HN 0.212 nan 8.360 nan 0.000 0.462 596 I N 0.025 120.618 120.570 0.038 0.000 2.400 596 I HA -0.062 4.106 4.170 -0.003 0.000 0.248 596 I C 0.027 176.195 176.117 0.085 0.000 1.109 596 I CA 0.621 61.952 61.300 0.051 0.000 1.425 596 I CB 0.005 38.032 38.000 0.044 0.000 1.094 596 I HN -0.044 nan 8.210 nan 0.000 0.425 597 N N 1.633 120.410 118.700 0.128 0.000 2.990 597 N HA 0.209 4.947 4.740 -0.003 0.000 0.288 597 N C -2.501 173.189 175.510 0.301 0.000 1.624 597 N CA -1.170 51.993 53.050 0.187 0.000 0.961 597 N CB 0.453 39.063 38.487 0.204 0.000 1.259 597 N HN 0.142 nan 8.380 nan 0.000 0.489 598 P HA 0.091 nan 4.420 nan 0.000 0.275 598 P C -0.211 177.133 177.300 0.073 0.000 1.266 598 P CA -0.293 62.950 63.100 0.239 0.000 0.793 598 P CB 1.395 33.177 31.700 0.136 0.000 1.074 599 L N -0.545 120.619 121.223 -0.097 0.000 2.431 599 L HA 0.407 4.745 4.340 -0.003 0.000 0.260 599 L C 2.106 178.919 176.870 -0.094 0.000 1.098 599 L CA -0.397 54.327 54.840 -0.192 0.000 0.800 599 L CB 0.157 41.986 42.059 -0.384 0.000 1.210 599 L HN 0.464 nan 8.230 nan 0.000 0.465 600 G N -0.683 108.062 108.800 -0.092 0.000 3.061 600 G HA2 -0.026 3.932 3.960 -0.003 0.000 0.208 600 G HA3 -0.026 3.932 3.960 -0.003 0.000 0.208 600 G C 0.664 175.506 174.900 -0.096 0.000 1.175 600 G CA 0.267 45.321 45.100 -0.078 0.000 0.812 600 G HN 0.659 nan 8.290 nan 0.000 0.523 601 T N -2.214 112.281 114.554 -0.099 0.000 2.766 601 T HA 0.303 4.651 4.350 -0.003 0.000 0.295 601 T C -1.095 173.569 174.700 -0.059 0.000 1.024 601 T CA -1.165 60.881 62.100 -0.090 0.000 1.018 601 T CB 1.583 70.409 68.868 -0.070 0.000 1.002 601 T HN -0.146 nan 8.240 nan 0.000 0.532 602 P HA -0.083 nan 4.420 nan 0.000 0.218 602 P C 1.618 178.914 177.300 -0.007 0.000 1.148 602 P CA 1.336 64.420 63.100 -0.028 0.000 0.822 602 P CB -0.013 31.676 31.700 -0.017 0.000 0.784 603 S N -3.178 112.525 115.700 0.005 0.000 2.502 603 S HA 0.331 4.799 4.470 -0.003 0.000 0.215 603 S C 1.663 176.279 174.600 0.027 0.000 1.009 603 S CA 0.515 58.727 58.200 0.020 0.000 0.908 603 S CB -0.440 62.782 63.200 0.036 0.000 0.801 603 S HN 0.256 nan 8.310 nan 0.000 0.505 604 G N 0.682 109.491 108.800 0.016 0.000 2.176 604 G HA2 -0.177 3.781 3.960 -0.003 0.000 0.232 604 G HA3 -0.177 3.781 3.960 -0.003 0.000 0.232 604 G C -0.116 174.828 174.900 0.074 0.000 0.986 604 G CA 0.324 45.445 45.100 0.034 0.000 0.643 604 G HN 0.514 nan 8.290 nan 0.000 0.522 605 L N -0.245 121.017 121.223 0.064 0.000 2.211 605 L HA 0.714 5.052 4.340 -0.003 0.000 0.259 605 L C 0.788 177.677 176.870 0.032 0.000 1.031 605 L CA -1.618 53.299 54.840 0.129 0.000 0.877 605 L CB 1.164 43.309 42.059 0.143 0.000 1.457 605 L HN -0.017 nan 8.230 nan 0.000 0.466 606 I N 0.706 121.326 120.570 0.084 0.000 2.441 606 I HA 0.114 4.282 4.170 -0.003 0.000 0.287 606 I C -0.187 175.990 176.117 0.100 0.000 1.049 606 I CA -0.047 61.286 61.300 0.055 0.000 1.381 606 I CB 0.562 38.624 38.000 0.103 0.000 1.409 606 I HN 0.479 nan 8.210 nan 0.000 0.523 607 E N 6.902 127.161 120.200 0.098 0.000 2.063 607 E HA 0.253 4.602 4.350 -0.003 0.000 0.265 607 E C 0.616 177.364 176.600 0.247 0.000 0.919 607 E CA -0.227 56.266 56.400 0.155 0.000 0.756 607 E CB 1.442 31.212 29.700 0.117 0.000 1.120 607 E HN 0.618 nan 8.360 nan 0.000 0.414 608 I N 1.909 122.626 120.570 0.244 0.000 2.676 608 I HA -0.076 4.092 4.170 -0.003 0.000 0.259 608 I C 0.498 176.769 176.117 0.257 0.000 1.194 608 I CA 0.868 62.292 61.300 0.205 0.000 1.473 608 I CB 0.187 38.272 38.000 0.141 0.000 1.096 608 I HN 0.328 nan 8.210 nan 0.000 0.443 609 F N 1.204 121.255 119.950 0.167 0.000 2.562 609 F HA 0.370 4.896 4.527 -0.003 0.000 0.319 609 F C -0.139 175.761 175.800 0.167 0.000 1.154 609 F CA -1.066 57.039 58.000 0.176 0.000 0.931 609 F CB 1.360 40.430 39.000 0.116 0.000 1.198 609 F HN -0.203 nan 8.300 nan 0.000 0.444 610 S N 5.292 120.829 115.700 -0.272 0.000 2.433 610 S HA 0.387 4.855 4.470 -0.003 0.000 0.310 610 S C 0.814 175.172 174.600 -0.403 0.000 1.097 610 S CA -0.801 57.276 58.200 -0.205 0.000 1.103 610 S CB 1.865 64.973 63.200 -0.154 0.000 0.992 610 S HN 0.902 nan 8.310 nan 0.000 0.469 611 R N 3.392 123.828 120.500 -0.106 0.000 2.073 611 R HA -0.065 4.273 4.340 -0.003 0.000 0.234 611 R C 2.103 178.277 176.300 -0.211 0.000 1.134 611 R CA 2.030 58.106 56.100 -0.040 0.000 0.952 611 R CB -0.496 29.846 30.300 0.069 0.000 0.850 611 R HN 0.810 nan 8.270 nan 0.000 0.433 612 K N 0.082 120.345 120.400 -0.227 0.000 2.015 612 K HA -0.185 4.133 4.320 -0.003 0.000 0.216 612 K C 1.998 178.108 176.600 -0.817 0.000 1.052 612 K CA 2.321 58.394 56.287 -0.358 0.000 0.937 612 K CB -0.288 32.118 32.500 -0.157 0.000 0.719 612 K HN 0.226 nan 8.250 nan 0.000 0.446 613 I N 0.730 120.816 120.570 -0.807 0.000 2.226 613 I HA -0.270 3.898 4.170 -0.003 0.000 0.245 613 I C 2.126 177.795 176.117 -0.747 0.000 1.100 613 I CA 1.617 62.310 61.300 -1.012 0.000 1.374 613 I CB -0.437 37.158 38.000 -0.674 0.000 1.057 613 I HN 0.361 nan 8.210 nan 0.000 0.413 614 D N 0.530 120.615 120.400 -0.525 0.000 2.182 614 D HA -0.286 4.352 4.640 -0.003 0.000 0.201 614 D C 2.124 178.258 176.300 -0.277 0.000 0.986 614 D CA 1.170 54.963 54.000 -0.346 0.000 0.847 614 D CB 0.067 40.699 40.800 -0.279 0.000 0.942 614 D HN 0.154 nan 8.370 nan 0.000 0.467 615 Q N -1.131 118.459 119.800 -0.350 0.000 2.291 615 Q HA -0.079 4.259 4.340 -0.003 0.000 0.205 615 Q C 1.287 177.205 176.000 -0.137 0.000 0.970 615 Q CA 0.941 56.609 55.803 -0.224 0.000 0.876 615 Q CB -0.237 28.371 28.738 -0.216 0.000 0.935 615 Q HN 0.324 nan 8.270 nan 0.000 0.455 616 F N -0.706 119.043 119.950 -0.335 0.000 2.234 616 F HA 0.170 4.695 4.527 -0.003 0.000 0.299 616 F C 1.919 177.432 175.800 -0.478 0.000 1.087 616 F CA 1.051 58.712 58.000 -0.566 0.000 1.340 616 F CB -0.866 37.445 39.000 -1.148 0.000 1.031 616 F HN 0.215 nan 8.300 nan 0.000 0.500 617 G N -0.820 107.901 108.800 -0.133 0.000 2.176 617 G HA2 -0.313 3.645 3.960 -0.003 0.000 0.252 617 G HA3 -0.313 3.645 3.960 -0.003 0.000 0.252 617 G C -0.158 174.789 174.900 0.080 0.000 1.024 617 G CA -0.226 44.854 45.100 -0.034 0.000 0.755 617 G HN 0.212 nan 8.290 nan 0.000 0.507 618 Y N 1.057 121.393 120.300 0.058 0.000 2.425 618 Y HA 0.311 4.859 4.550 -0.003 0.000 0.331 618 Y C 1.740 177.641 175.900 0.001 0.000 1.157 618 Y CA -0.920 57.197 58.100 0.029 0.000 1.372 618 Y CB 0.726 39.211 38.460 0.042 0.000 1.253 618 Y HN 0.358 nan 8.280 nan 0.000 0.536 619 D N -0.486 120.008 120.400 0.157 0.000 2.183 619 D HA -0.162 4.476 4.640 -0.003 0.000 0.203 619 D C 0.396 176.723 176.300 0.045 0.000 0.969 619 D CA 1.296 55.337 54.000 0.067 0.000 0.842 619 D CB -0.302 40.522 40.800 0.040 0.000 0.957 619 D HN 0.543 nan 8.370 nan 0.000 0.484 620 D N -0.825 119.617 120.400 0.071 0.000 2.427 620 D HA 0.157 4.795 4.640 -0.003 0.000 0.224 620 D C -0.452 175.908 176.300 0.099 0.000 1.157 620 D CA -0.833 53.214 54.000 0.078 0.000 0.828 620 D CB -0.468 40.420 40.800 0.146 0.000 0.974 620 D HN 0.213 nan 8.370 nan 0.000 0.498 621 C N 1.624 120.985 119.300 0.102 0.000 3.098 621 C HA 0.318 4.777 4.460 -0.003 0.000 0.391 621 C C -0.609 174.437 174.990 0.094 0.000 1.088 621 C CA -0.765 58.330 59.018 0.128 0.000 1.294 621 C CB -0.429 27.418 27.740 0.179 0.000 1.677 621 C HN 0.418 nan 8.230 nan 0.000 0.510 622 K N 3.047 123.442 120.400 -0.009 0.000 2.512 622 K HA 0.688 5.006 4.320 -0.003 0.000 0.272 622 K C 1.328 177.829 176.600 -0.165 0.000 1.033 622 K CA 0.087 56.303 56.287 -0.119 0.000 1.096 622 K CB 0.063 32.433 32.500 -0.217 0.000 1.498 622 K HN 0.525 nan 8.250 nan 0.000 0.629 623 G N -0.174 108.424 108.800 -0.336 0.000 2.448 623 G HA2 -0.155 3.803 3.960 -0.003 0.000 0.219 623 G HA3 -0.155 3.803 3.960 -0.003 0.000 0.219 623 G C 0.259 174.886 174.900 -0.455 0.000 1.127 623 G CA 1.549 46.306 45.100 -0.571 0.000 0.766 623 G HN 0.825 nan 8.290 nan 0.000 0.552 624 H N -2.953 115.870 119.070 -0.412 0.000 2.990 624 H HA 0.637 5.192 4.556 -0.003 0.000 0.343 624 H C -3.253 171.499 175.328 -0.959 0.000 1.270 624 H CA -2.733 52.840 56.048 -0.793 0.000 1.118 624 H CB 0.229 29.815 29.762 -0.293 0.000 1.861 624 H HN -0.191 nan 8.280 nan 0.000 0.544 625 P HA 0.186 nan 4.420 nan 0.000 0.265 625 P C -0.523 176.772 177.300 -0.008 0.000 1.193 625 P CA 0.356 63.151 63.100 -0.509 0.000 0.765 625 P CB 0.652 32.040 31.700 -0.520 0.000 0.823 626 T N -0.738 113.826 114.554 0.015 0.000 2.841 626 T HA 0.448 4.796 4.350 -0.003 0.000 0.296 626 T C -1.725 173.151 174.700 0.293 0.000 1.166 626 T CA -0.995 61.189 62.100 0.139 0.000 1.007 626 T CB 1.354 70.142 68.868 -0.134 0.000 1.253 626 T HN 0.482 nan 8.240 nan 0.000 0.511 627 W N 3.083 124.514 121.300 0.219 0.000 2.391 627 W HA 0.656 5.314 4.660 -0.003 0.000 0.311 627 W C -1.920 174.645 176.519 0.075 0.000 1.087 627 W CA -1.307 56.140 57.345 0.170 0.000 1.209 627 W CB 1.172 30.812 29.460 0.300 0.000 1.273 627 W HN 0.668 nan 8.180 nan 0.000 0.482 628 M N 4.618 123.723 119.600 -0.824 0.000 2.327 628 M HA 0.123 4.601 4.480 -0.003 0.000 0.298 628 M C -0.400 175.172 176.300 -1.214 0.000 1.065 628 M CA -0.825 53.928 55.300 -0.913 0.000 0.916 628 M CB 2.605 34.722 32.600 -0.805 0.000 1.630 628 M HN 0.390 nan 8.290 nan 0.000 0.442 629 E N 3.266 122.955 120.200 -0.851 0.000 2.383 629 E HA 0.192 4.540 4.350 -0.003 0.000 0.264 629 E C -0.900 175.592 176.600 -0.179 0.000 1.050 629 E CA 0.121 56.207 56.400 -0.523 0.000 0.896 629 E CB 0.794 30.365 29.700 -0.214 0.000 0.982 629 E HN 0.270 nan 8.360 nan 0.000 0.424 630 K N 2.484 122.846 120.400 -0.064 0.000 2.109 630 K HA 0.254 4.572 4.320 -0.003 0.000 0.243 630 K C 1.021 177.637 176.600 0.027 0.000 1.006 630 K CA -0.372 55.934 56.287 0.031 0.000 0.917 630 K CB 0.482 33.022 32.500 0.066 0.000 1.081 630 K HN 0.585 nan 8.250 nan 0.000 0.468 631 T N 0.086 114.652 114.554 0.020 0.000 2.857 631 T HA -0.073 4.275 4.350 -0.003 0.000 0.266 631 T C 0.025 174.749 174.700 0.040 0.000 1.048 631 T CA 1.123 63.236 62.100 0.021 0.000 1.139 631 T CB 0.030 68.900 68.868 0.003 0.000 0.874 631 T HN 0.475 nan 8.240 nan 0.000 0.455 632 E N 0.725 120.958 120.200 0.055 0.000 2.265 632 E HA 0.564 4.912 4.350 -0.003 0.000 0.262 632 E C -0.845 175.811 176.600 0.093 0.000 0.889 632 E CA -0.453 55.991 56.400 0.074 0.000 0.789 632 E CB 2.307 32.051 29.700 0.074 0.000 1.221 632 E HN 0.092 nan 8.360 nan 0.000 0.414 633 R N 1.271 121.822 120.500 0.086 0.000 2.651 633 R HA 0.379 4.717 4.340 -0.003 0.000 0.278 633 R C -0.417 175.918 176.300 0.058 0.000 1.010 633 R CA -0.419 55.726 56.100 0.076 0.000 0.896 633 R CB 2.087 32.441 30.300 0.090 0.000 1.211 633 R HN 0.682 nan 8.270 nan 0.000 0.456 634 S N 0.972 116.687 115.700 0.025 0.000 2.713 634 S HA 0.277 4.745 4.470 -0.003 0.000 0.277 634 S C -0.065 174.531 174.600 -0.008 0.000 1.168 634 S CA -0.408 57.757 58.200 -0.059 0.000 0.994 634 S CB 0.571 63.668 63.200 -0.171 0.000 1.054 634 S HN 0.865 nan 8.310 nan 0.000 0.555 635 H N -0.101 119.008 119.070 0.064 0.000 2.692 635 H HA -0.173 4.381 4.556 -0.003 0.000 0.316 635 H C 1.234 176.585 175.328 0.039 0.000 1.176 635 H CA 0.879 56.960 56.048 0.055 0.000 1.142 635 H CB -1.989 27.807 29.762 0.055 0.000 1.475 635 H HN 1.667 nan 8.280 nan 0.000 0.423 636 G N -1.839 107.011 108.800 0.083 0.000 2.179 636 G HA2 -0.183 3.775 3.960 -0.003 0.000 0.220 636 G HA3 -0.183 3.775 3.960 -0.003 0.000 0.220 636 G C 0.726 175.668 174.900 0.070 0.000 0.990 636 G CA 0.297 45.439 45.100 0.070 0.000 0.646 636 G HN 0.968 nan 8.290 nan 0.000 0.517 637 G N 0.344 109.190 108.800 0.076 0.000 2.562 637 G HA2 0.637 4.595 3.960 -0.003 0.000 0.275 637 G HA3 0.637 4.595 3.960 -0.003 0.000 0.275 637 G C -1.833 173.107 174.900 0.068 0.000 1.196 637 G CA -0.661 44.489 45.100 0.084 0.000 0.908 637 G HN 0.209 nan 8.290 nan 0.000 0.524 638 P HA 0.119 nan 4.420 nan 0.000 0.263 638 P C 0.822 178.158 177.300 0.061 0.000 1.195 638 P CA 1.348 64.482 63.100 0.057 0.000 0.762 638 P CB 0.873 32.604 31.700 0.051 0.000 0.799 639 G N 3.144 111.978 108.800 0.057 0.000 2.194 639 G HA2 -0.298 3.660 3.960 -0.003 0.000 0.236 639 G HA3 -0.298 3.660 3.960 -0.003 0.000 0.236 639 G C 1.010 175.952 174.900 0.070 0.000 0.987 639 G CA 0.345 45.489 45.100 0.073 0.000 0.635 639 G HN 0.588 nan 8.290 nan 0.000 0.520 640 S N 0.140 115.870 115.700 0.049 0.000 2.555 640 S HA 0.096 4.564 4.470 -0.003 0.000 0.230 640 S C 1.404 176.008 174.600 0.006 0.000 0.978 640 S CA 1.454 59.673 58.200 0.032 0.000 0.934 640 S CB 0.068 63.277 63.200 0.014 0.000 0.766 640 S HN 0.280 nan 8.310 nan 0.000 0.533 641 D N 1.830 122.229 120.400 -0.002 0.000 2.183 641 D HA 0.048 4.686 4.640 -0.003 0.000 0.203 641 D C 1.824 178.083 176.300 -0.069 0.000 0.969 641 D CA 1.003 54.989 54.000 -0.023 0.000 0.842 641 D CB -0.048 40.745 40.800 -0.013 0.000 0.957 641 D HN 0.523 nan 8.370 nan 0.000 0.484 642 K N -0.777 119.552 120.400 -0.119 0.000 2.313 642 K HA 0.017 4.336 4.320 -0.003 0.000 0.197 642 K C -0.162 176.128 176.600 -0.516 0.000 1.061 642 K CA 0.379 56.480 56.287 -0.308 0.000 0.980 642 K CB 0.557 32.841 32.500 -0.361 0.000 0.888 642 K HN 0.096 nan 8.250 nan 0.000 0.502 643 H N 0.834 119.901 119.070 -0.006 0.000 2.716 643 H HA 0.167 4.721 4.556 -0.003 0.000 0.260 643 H C -2.236 173.086 175.328 -0.010 0.000 1.280 643 H CA -1.792 54.240 56.048 -0.026 0.000 1.506 643 H CB 1.804 31.552 29.762 -0.024 0.000 1.514 643 H HN 0.150 nan 8.280 nan 0.000 0.502 644 P HA -0.041 nan 4.420 nan 0.000 0.225 644 P C 0.576 177.902 177.300 0.043 0.000 1.156 644 P CA 0.569 63.686 63.100 0.029 0.000 0.787 644 P CB 0.902 32.604 31.700 0.003 0.000 0.802 645 I N -0.185 120.449 120.570 0.107 0.000 2.440 645 I HA 0.173 4.341 4.170 -0.003 0.000 0.294 645 I C 0.305 176.542 176.117 0.200 0.000 0.995 645 I CA -1.495 59.899 61.300 0.158 0.000 1.306 645 I CB 0.017 38.149 38.000 0.220 0.000 1.407 645 I HN -0.035 nan 8.210 nan 0.000 0.501 646 W N 7.695 129.019 121.300 0.040 0.000 2.365 646 W HA 0.511 5.170 4.660 -0.003 0.000 0.316 646 W C -1.188 175.357 176.519 0.044 0.000 1.164 646 W CA -0.989 56.394 57.345 0.063 0.000 1.204 646 W CB 1.053 30.597 29.460 0.140 0.000 1.213 646 W HN 0.307 nan 8.180 nan 0.000 0.539 647 L N 6.982 127.975 121.223 -0.383 0.000 2.298 647 L HA 0.415 4.753 4.340 -0.003 0.000 0.284 647 L C -0.457 175.895 176.870 -0.863 0.000 1.013 647 L CA -0.490 54.039 54.840 -0.517 0.000 0.824 647 L CB 1.178 43.053 42.059 -0.306 0.000 1.221 647 L HN 0.581 nan 8.230 nan 0.000 0.418 648 Q N 2.426 121.725 119.800 -0.835 0.000 2.316 648 Q HA 0.616 4.954 4.340 -0.003 0.000 0.264 648 Q C -0.683 175.095 176.000 -0.370 0.000 0.987 648 Q CA -0.490 54.915 55.803 -0.663 0.000 0.852 648 Q CB 1.479 29.849 28.738 -0.614 0.000 1.287 648 Q HN 0.653 nan 8.270 nan 0.000 0.448 649 S N 1.029 116.508 115.700 -0.367 0.000 2.438 649 S HA 0.286 4.754 4.470 -0.003 0.000 0.227 649 S C 0.043 174.707 174.600 0.106 0.000 1.265 649 S CA -0.733 57.356 58.200 -0.185 0.000 1.265 649 S CB -0.556 62.492 63.200 -0.254 0.000 0.987 649 S HN 0.673 nan 8.310 nan 0.000 0.502 650 C N 3.257 122.679 119.300 0.203 0.000 2.665 650 C HA 0.093 4.551 4.460 -0.003 0.000 0.416 650 C C 1.387 176.644 174.990 0.445 0.000 1.305 650 C CA -0.291 58.946 59.018 0.366 0.000 1.903 650 C CB -0.966 26.918 27.740 0.241 0.000 2.704 650 C HN 0.641 nan 8.230 nan 0.000 0.629 651 H N 3.684 122.926 119.070 0.286 0.000 3.092 651 H HA 0.049 4.603 4.556 -0.003 0.000 0.332 651 H C -1.687 173.813 175.328 0.285 0.000 1.029 651 H CA -0.520 55.679 56.048 0.253 0.000 1.376 651 H CB 0.081 29.949 29.762 0.177 0.000 1.329 651 H HN 0.523 nan 8.280 nan 0.000 0.598 652 P HA -0.053 nan 4.420 nan 0.000 0.275 652 P C 0.146 177.397 177.300 -0.083 0.000 1.228 652 P CA -0.054 63.017 63.100 -0.049 0.000 0.786 652 P CB 1.078 32.749 31.700 -0.049 0.000 0.927 653 D N 1.721 121.976 120.400 -0.242 0.000 2.271 653 D HA -0.033 4.605 4.640 -0.003 0.000 0.206 653 D C 0.789 177.060 176.300 -0.048 0.000 0.967 653 D CA 1.154 55.093 54.000 -0.101 0.000 0.867 653 D CB 0.158 40.895 40.800 -0.106 0.000 0.960 653 D HN 0.290 nan 8.370 nan 0.000 0.509 654 K N -0.298 120.031 120.400 -0.117 0.000 2.618 654 K HA 0.351 4.669 4.320 -0.003 0.000 0.207 654 K C -0.193 176.526 176.600 0.197 0.000 1.058 654 K CA -0.181 56.142 56.287 0.060 0.000 1.086 654 K CB 1.182 33.630 32.500 -0.087 0.000 0.827 654 K HN -0.075 nan 8.250 nan 0.000 0.481 655 R N 0.307 120.896 120.500 0.147 0.000 2.733 655 R HA 0.347 4.685 4.340 -0.003 0.000 0.272 655 R C -1.803 174.588 176.300 0.152 0.000 1.029 655 R CA -1.085 55.148 56.100 0.223 0.000 0.888 655 R CB 1.156 31.571 30.300 0.193 0.000 1.251 655 R HN -0.096 nan 8.270 nan 0.000 0.464 656 L N 2.465 123.789 121.223 0.169 0.000 2.387 656 L HA 0.371 4.710 4.340 -0.003 0.000 0.259 656 L C -0.012 176.825 176.870 -0.055 0.000 1.050 656 L CA 0.314 55.093 54.840 -0.102 0.000 0.922 656 L CB -0.559 41.432 42.059 -0.114 0.000 1.280 656 L HN 0.699 nan 8.230 nan 0.000 0.449 657 H N 1.489 120.541 119.070 -0.029 0.000 1.452 657 H HA -0.269 4.285 4.556 -0.003 0.000 0.090 657 H C 1.362 176.771 175.328 0.135 0.000 0.623 657 H CA 1.848 57.879 56.048 -0.030 0.000 1.901 657 H CB -1.671 28.042 29.762 -0.082 0.000 2.257 657 H HN 0.612 nan 8.280 nan 0.000 0.961 658 S N 1.998 117.920 115.700 0.370 0.000 2.503 658 S HA 0.124 4.592 4.470 -0.003 0.000 0.215 658 S C 0.651 175.564 174.600 0.521 0.000 1.003 658 S CA 0.233 58.716 58.200 0.472 0.000 0.910 658 S CB 0.346 63.810 63.200 0.441 0.000 0.790 658 S HN 0.437 nan 8.310 nan 0.000 0.514 659 Q N 1.091 121.144 119.800 0.423 0.000 2.255 659 Q HA 0.315 4.653 4.340 -0.003 0.000 0.280 659 Q C 0.122 176.352 176.000 0.383 0.000 1.068 659 Q CA 0.546 56.598 55.803 0.415 0.000 0.911 659 Q CB 0.310 29.298 28.738 0.416 0.000 1.157 659 Q HN 0.522 nan 8.270 nan 0.000 0.380 660 M N 0.828 120.614 119.600 0.310 0.000 3.086 660 M HA -0.227 4.251 4.480 -0.003 0.000 0.231 660 M C 0.640 177.026 176.300 0.143 0.000 0.533 660 M CA 0.135 55.562 55.300 0.211 0.000 0.884 660 M CB -1.624 31.115 32.600 0.232 0.000 3.137 660 M HN 0.790 nan 8.290 nan 0.000 0.307 661 C N 2.394 121.758 119.300 0.107 0.000 2.437 661 C HA -0.051 4.407 4.460 -0.003 0.000 0.283 661 C C 2.314 177.022 174.990 -0.470 0.000 1.424 661 C CA 1.604 60.562 59.018 -0.099 0.000 1.782 661 C CB -0.933 26.717 27.740 -0.150 0.000 1.833 661 C HN 0.706 nan 8.230 nan 0.000 0.532 662 E N 0.050 120.014 120.200 -0.393 0.000 2.435 662 E HA -0.010 4.338 4.350 -0.003 0.000 0.195 662 E C 0.750 177.181 176.600 -0.282 0.000 1.029 662 E CA 0.473 56.607 56.400 -0.443 0.000 0.865 662 E CB -0.454 29.145 29.700 -0.167 0.000 0.833 662 E HN 0.486 nan 8.360 nan 0.000 0.510 663 S N 3.008 118.615 115.700 -0.155 0.000 2.670 663 S HA 0.098 4.566 4.470 -0.003 0.000 0.328 663 S C 0.896 175.414 174.600 -0.136 0.000 1.179 663 S CA -0.418 57.734 58.200 -0.079 0.000 1.194 663 S CB 0.552 63.763 63.200 0.019 0.000 1.359 663 S HN 0.169 nan 8.310 nan 0.000 0.555 664 R N 3.118 123.510 120.500 -0.180 0.000 2.264 664 R HA -0.222 4.116 4.340 -0.003 0.000 0.223 664 R C 1.831 178.033 176.300 -0.162 0.000 1.090 664 R CA 2.382 58.355 56.100 -0.212 0.000 0.857 664 R CB -0.916 29.294 30.300 -0.151 0.000 0.835 664 R HN 0.647 nan 8.270 nan 0.000 0.428 665 E N -0.357 119.792 120.200 -0.084 0.000 2.086 665 E HA -0.243 4.105 4.350 -0.003 0.000 0.200 665 E C 1.924 178.507 176.600 -0.029 0.000 1.012 665 E CA 1.772 58.140 56.400 -0.053 0.000 0.812 665 E CB -0.962 28.728 29.700 -0.017 0.000 0.743 665 E HN 0.500 nan 8.360 nan 0.000 0.453 666 Y N 1.476 121.708 120.300 -0.113 0.000 2.145 666 Y HA -0.152 4.396 4.550 -0.003 0.000 0.286 666 Y C 2.537 178.351 175.900 -0.143 0.000 1.145 666 Y CA 1.961 60.013 58.100 -0.080 0.000 1.148 666 Y CB -0.183 38.252 38.460 -0.043 0.000 0.981 666 Y HN -0.043 nan 8.280 nan 0.000 0.507 667 R N 0.659 120.989 120.500 -0.284 0.000 2.091 667 R HA -0.184 4.154 4.340 -0.003 0.000 0.238 667 R C 1.813 177.658 176.300 -0.759 0.000 1.136 667 R CA 1.975 57.669 56.100 -0.676 0.000 0.959 667 R CB -0.326 29.652 30.300 -0.537 0.000 0.856 667 R HN 0.472 nan 8.270 nan 0.000 0.437 668 E N -0.330 119.617 120.200 -0.421 0.000 2.510 668 E HA -0.128 4.221 4.350 -0.003 0.000 0.202 668 E C 1.384 177.835 176.600 -0.250 0.000 1.072 668 E CA 1.331 57.554 56.400 -0.296 0.000 0.883 668 E CB 0.077 29.667 29.700 -0.183 0.000 0.818 668 E HN 0.565 nan 8.360 nan 0.000 0.548 669 T N -1.888 112.483 114.554 -0.305 0.000 3.067 669 T HA -0.093 4.256 4.350 -0.003 0.000 0.257 669 T C 1.518 176.178 174.700 -0.066 0.000 1.105 669 T CA 0.437 62.436 62.100 -0.168 0.000 1.104 669 T CB -0.140 68.629 68.868 -0.165 0.000 0.925 669 T HN 0.433 nan 8.240 nan 0.000 0.498 670 Y N 0.198 120.422 120.300 -0.126 0.000 2.432 670 Y HA 0.797 5.345 4.550 -0.003 0.000 0.252 670 Y C 0.724 176.605 175.900 -0.032 0.000 1.097 670 Y CA -1.484 56.577 58.100 -0.065 0.000 1.250 670 Y CB -0.351 38.067 38.460 -0.070 0.000 1.245 670 Y HN 0.262 nan 8.280 nan 0.000 0.522 671 A N 1.536 124.241 122.820 -0.192 0.000 2.407 671 A HA 0.584 4.902 4.320 -0.003 0.000 0.248 671 A C -0.517 177.054 177.584 -0.022 0.000 1.082 671 A CA -0.184 51.806 52.037 -0.079 0.000 0.785 671 A CB 0.328 19.244 19.000 -0.141 0.000 1.020 671 A HN 0.220 nan 8.150 nan 0.000 0.489 672 V N 3.127 123.037 119.914 -0.006 0.000 2.483 672 V HA 0.322 4.440 4.120 -0.003 0.000 0.297 672 V C 0.522 176.615 176.094 -0.003 0.000 1.027 672 V CA -0.541 61.753 62.300 -0.011 0.000 0.855 672 V CB 1.148 32.953 31.823 -0.031 0.000 0.995 672 V HN 1.063 nan 8.190 nan 0.000 0.424 673 N N 3.447 122.151 118.700 0.007 0.000 2.708 673 N HA -0.239 4.499 4.740 -0.003 0.000 0.249 673 N C 1.209 176.742 175.510 0.037 0.000 1.097 673 N CA 1.962 55.024 53.050 0.021 0.000 0.710 673 N CB -0.906 37.596 38.487 0.024 0.000 1.032 673 N HN 1.659 nan 8.380 nan 0.000 0.551 674 G N -1.857 106.971 108.800 0.046 0.000 2.225 674 G HA2 -0.359 3.599 3.960 -0.003 0.000 0.254 674 G HA3 -0.359 3.599 3.960 -0.003 0.000 0.254 674 G C 0.411 175.416 174.900 0.175 0.000 0.988 674 G CA 0.895 46.053 45.100 0.097 0.000 0.625 674 G HN 0.632 nan 8.290 nan 0.000 0.527 675 R N 0.345 120.891 120.500 0.075 0.000 2.705 675 R HA 0.719 5.057 4.340 -0.003 0.000 0.246 675 R C 0.152 176.344 176.300 -0.179 0.000 1.142 675 R CA -0.641 55.430 56.100 -0.047 0.000 1.114 675 R CB 0.453 30.695 30.300 -0.096 0.000 1.256 675 R HN 0.310 nan 8.270 nan 0.000 0.536 676 E N 2.174 122.071 120.200 -0.504 0.000 2.301 676 E HA 0.242 4.591 4.350 -0.003 0.000 0.275 676 E C -2.185 174.293 176.600 -0.203 0.000 1.030 676 E CA -2.045 54.150 56.400 -0.342 0.000 0.852 676 E CB 0.823 30.225 29.700 -0.497 0.000 1.060 676 E HN 0.206 nan 8.360 nan 0.000 0.401 677 P HA 0.058 nan 4.420 nan 0.000 0.280 677 P C -0.952 176.072 177.300 -0.460 0.000 1.244 677 P CA -0.311 62.609 63.100 -0.300 0.000 0.784 677 P CB 0.977 32.478 31.700 -0.332 0.000 0.913 678 V N 3.654 123.267 119.914 -0.502 0.000 2.459 678 V HA 0.308 4.426 4.120 -0.003 0.000 0.295 678 V C -0.384 175.325 176.094 -0.642 0.000 1.029 678 V CA -0.781 61.223 62.300 -0.493 0.000 0.874 678 V CB 0.581 32.177 31.823 -0.378 0.000 0.985 678 V HN 0.343 nan 8.190 nan 0.000 0.438 679 Y N 4.700 124.768 120.300 -0.386 0.000 2.383 679 Y HA 0.659 5.207 4.550 -0.003 0.000 0.344 679 Y C 0.249 175.822 175.900 -0.545 0.000 0.986 679 Y CA -0.469 57.344 58.100 -0.479 0.000 1.175 679 Y CB 0.895 38.894 38.460 -0.769 0.000 1.152 679 Y HN 0.491 nan 8.280 nan 0.000 0.511 680 I N 2.533 123.010 120.570 -0.155 0.000 2.530 680 I HA 0.379 4.547 4.170 -0.003 0.000 0.297 680 I C -0.139 176.049 176.117 0.118 0.000 1.011 680 I CA -1.077 60.183 61.300 -0.066 0.000 1.107 680 I CB 2.106 40.077 38.000 -0.048 0.000 1.285 680 I HN 0.517 nan 8.210 nan 0.000 0.436 681 S N 4.179 119.987 115.700 0.180 0.000 2.584 681 S HA 0.343 4.812 4.470 -0.003 0.000 0.273 681 S C -2.030 172.671 174.600 0.169 0.000 1.311 681 S CA -1.020 57.307 58.200 0.211 0.000 1.034 681 S CB 1.390 64.726 63.200 0.227 0.000 0.939 681 S HN 0.371 nan 8.310 nan 0.000 0.513 682 P HA -0.163 nan 4.420 nan 0.000 0.215 682 P C 1.630 178.990 177.300 0.100 0.000 1.163 682 P CA 0.986 64.152 63.100 0.109 0.000 0.894 682 P CB -0.117 31.637 31.700 0.089 0.000 0.791 683 V N 0.426 120.397 119.914 0.095 0.000 2.252 683 V HA -0.276 3.842 4.120 -0.003 0.000 0.249 683 V C 1.980 178.127 176.094 0.087 0.000 1.056 683 V CA 2.347 64.695 62.300 0.080 0.000 1.022 683 V CB -1.242 30.625 31.823 0.074 0.000 0.641 683 V HN 0.139 nan 8.190 nan 0.000 0.445 684 D N 0.014 120.491 120.400 0.128 0.000 2.144 684 D HA -0.089 4.549 4.640 -0.003 0.000 0.200 684 D C 2.201 178.577 176.300 0.126 0.000 0.978 684 D CA 1.513 55.595 54.000 0.138 0.000 0.833 684 D CB -0.253 40.706 40.800 0.264 0.000 0.961 684 D HN 0.460 nan 8.370 nan 0.000 0.470 685 A N 1.064 123.986 122.820 0.169 0.000 1.877 685 A HA -0.205 4.113 4.320 -0.003 0.000 0.216 685 A C 2.134 179.767 177.584 0.082 0.000 1.186 685 A CA 1.761 53.892 52.037 0.156 0.000 0.620 685 A CB -0.349 18.740 19.000 0.148 0.000 0.822 685 A HN 0.050 nan 8.150 nan 0.000 0.443 686 K N 0.217 120.657 120.400 0.067 0.000 2.026 686 K HA -0.006 4.312 4.320 -0.003 0.000 0.208 686 K C 1.930 178.543 176.600 0.021 0.000 1.048 686 K CA 1.603 57.916 56.287 0.043 0.000 0.929 686 K CB -0.637 31.888 32.500 0.042 0.000 0.713 686 K HN 0.343 nan 8.250 nan 0.000 0.439 687 A N 0.280 123.106 122.820 0.011 0.000 2.131 687 A HA -0.121 4.197 4.320 -0.003 0.000 0.220 687 A C 1.603 179.163 177.584 -0.040 0.000 1.158 687 A CA 1.556 53.584 52.037 -0.014 0.000 0.665 687 A CB -0.316 18.671 19.000 -0.022 0.000 0.795 687 A HN 0.345 nan 8.150 nan 0.000 0.460 688 R N -2.056 118.416 120.500 -0.047 0.000 2.476 688 R HA 0.298 4.636 4.340 -0.003 0.000 0.276 688 R C 1.016 177.309 176.300 -0.010 0.000 0.941 688 R CA 0.444 56.507 56.100 -0.062 0.000 1.088 688 R CB 0.338 30.546 30.300 -0.153 0.000 1.216 688 R HN 0.553 nan 8.270 nan 0.000 0.533 689 G N 1.887 110.692 108.800 0.009 0.000 2.198 689 G HA2 -0.281 3.677 3.960 -0.003 0.000 0.260 689 G HA3 -0.281 3.677 3.960 -0.003 0.000 0.260 689 G C 0.099 175.023 174.900 0.040 0.000 1.025 689 G CA 0.062 45.176 45.100 0.023 0.000 0.769 689 G HN 0.248 nan 8.290 nan 0.000 0.507 690 I N 0.050 120.656 120.570 0.059 0.000 2.440 690 I HA 0.458 4.626 4.170 -0.003 0.000 0.294 690 I C 0.277 176.438 176.117 0.074 0.000 0.995 690 I CA -0.516 60.834 61.300 0.082 0.000 1.306 690 I CB 1.279 39.360 38.000 0.135 0.000 1.407 690 I HN -0.117 nan 8.210 nan 0.000 0.501 691 K N 3.413 123.852 120.400 0.065 0.000 2.400 691 K HA 0.397 4.715 4.320 -0.003 0.000 0.246 691 K C -1.258 175.372 176.600 0.050 0.000 0.995 691 K CA -1.067 55.253 56.287 0.055 0.000 0.840 691 K CB 1.033 33.560 32.500 0.044 0.000 1.293 691 K HN 0.340 nan 8.250 nan 0.000 0.445 692 D N 0.212 120.638 120.400 0.045 0.000 2.493 692 D HA 0.242 4.880 4.640 -0.003 0.000 0.240 692 D C 1.224 177.542 176.300 0.029 0.000 1.142 692 D CA 1.912 55.934 54.000 0.036 0.000 0.872 692 D CB 0.398 41.222 40.800 0.041 0.000 1.173 692 D HN 0.724 nan 8.370 nan 0.000 0.467 693 G N 2.521 111.332 108.800 0.018 0.000 2.234 693 G HA2 -0.244 3.714 3.960 -0.003 0.000 0.235 693 G HA3 -0.244 3.714 3.960 -0.003 0.000 0.235 693 G C 0.118 175.033 174.900 0.025 0.000 0.997 693 G CA -0.161 44.950 45.100 0.018 0.000 0.623 693 G HN 0.530 nan 8.290 nan 0.000 0.514 694 D N 0.783 121.204 120.400 0.035 0.000 2.414 694 D HA 0.428 5.066 4.640 -0.003 0.000 0.242 694 D C 1.147 177.481 176.300 0.058 0.000 1.129 694 D CA 0.024 54.056 54.000 0.053 0.000 0.885 694 D CB 0.713 41.553 40.800 0.066 0.000 1.198 694 D HN 0.385 nan 8.370 nan 0.000 0.437 695 I N 1.788 122.410 120.570 0.086 0.000 2.416 695 I HA 0.104 4.272 4.170 -0.003 0.000 0.288 695 I C 0.180 176.381 176.117 0.140 0.000 1.051 695 I CA -0.451 60.906 61.300 0.095 0.000 1.375 695 I CB 0.797 38.884 38.000 0.144 0.000 1.407 695 I HN -0.105 nan 8.210 nan 0.000 0.516 696 V N 6.906 126.877 119.914 0.095 0.000 2.769 696 V HA 0.486 4.605 4.120 -0.003 0.000 0.312 696 V C 0.024 176.192 176.094 0.124 0.000 1.058 696 V CA -0.841 61.547 62.300 0.147 0.000 0.952 696 V CB 2.161 34.058 31.823 0.125 0.000 1.019 696 V HN 0.697 nan 8.190 nan 0.000 0.445 697 R N 2.093 122.725 120.500 0.220 0.000 2.409 697 R HA 0.672 5.011 4.340 -0.003 0.000 0.313 697 R C -1.752 174.756 176.300 0.347 0.000 0.953 697 R CA -0.329 55.899 56.100 0.213 0.000 0.849 697 R CB 1.603 32.058 30.300 0.258 0.000 1.171 697 R HN 0.564 nan 8.270 nan 0.000 0.458 698 V N 6.242 126.294 119.914 0.230 0.000 2.472 698 V HA 0.626 4.744 4.120 -0.003 0.000 0.290 698 V C -0.348 175.901 176.094 0.257 0.000 1.037 698 V CA -0.463 61.945 62.300 0.180 0.000 0.908 698 V CB 0.854 32.677 31.823 -0.000 0.000 0.985 698 V HN 0.735 nan 8.190 nan 0.000 0.454 699 F N 2.406 122.395 119.950 0.064 0.000 2.779 699 F HA 0.917 5.442 4.527 -0.003 0.000 0.316 699 F C -0.889 174.908 175.800 -0.006 0.000 1.164 699 F CA -0.950 57.068 58.000 0.029 0.000 0.924 699 F CB 1.732 40.765 39.000 0.056 0.000 1.348 699 F HN 0.572 nan 8.300 nan 0.000 0.467 700 N N -1.786 117.005 118.700 0.151 0.000 3.387 700 N HA 0.211 4.949 4.740 -0.003 0.000 0.294 700 N C -1.030 174.514 175.510 0.057 0.000 1.519 700 N CA -0.590 52.388 53.050 -0.121 0.000 0.875 700 N CB 0.057 38.288 38.487 -0.427 0.000 1.657 700 N HN 0.511 nan 8.380 nan 0.000 0.527 701 D N -0.810 119.572 120.400 -0.030 0.000 2.378 701 D HA 0.008 4.646 4.640 -0.003 0.000 0.227 701 D C 1.102 177.418 176.300 0.026 0.000 1.012 701 D CA 0.640 54.678 54.000 0.063 0.000 0.905 701 D CB 0.032 40.885 40.800 0.088 0.000 0.895 701 D HN 0.612 nan 8.370 nan 0.000 0.532 702 R N -1.219 119.278 120.500 -0.005 0.000 2.394 702 R HA 0.416 4.754 4.340 -0.003 0.000 0.220 702 R C 0.935 177.233 176.300 -0.004 0.000 0.887 702 R CA -0.062 56.029 56.100 -0.015 0.000 1.034 702 R CB 0.854 31.125 30.300 -0.049 0.000 1.179 702 R HN 0.002 nan 8.270 nan 0.000 0.561 703 G N 0.574 109.387 108.800 0.022 0.000 2.554 703 G HA2 0.415 4.373 3.960 -0.003 0.000 0.306 703 G HA3 0.415 4.373 3.960 -0.003 0.000 0.306 703 G C -2.131 172.824 174.900 0.092 0.000 1.320 703 G CA -0.867 44.257 45.100 0.041 0.000 0.800 703 G HN 0.218 nan 8.290 nan 0.000 0.481 704 Q N -1.423 118.431 119.800 0.090 0.000 2.479 704 Q HA 0.679 5.018 4.340 -0.003 0.000 0.276 704 Q C -1.425 174.621 176.000 0.076 0.000 0.989 704 Q CA -1.062 54.810 55.803 0.116 0.000 0.864 704 Q CB 2.336 31.129 28.738 0.092 0.000 1.444 704 Q HN 1.311 nan 8.270 nan 0.000 0.388 705 L N -1.385 119.876 121.223 0.064 0.000 2.654 705 L HA 0.786 5.124 4.340 -0.003 0.000 0.257 705 L C -1.890 174.952 176.870 -0.046 0.000 1.093 705 L CA -1.066 53.781 54.840 0.011 0.000 0.903 705 L CB 1.361 43.431 42.059 0.019 0.000 1.520 705 L HN 0.741 nan 8.230 nan 0.000 0.402 706 L N 0.591 121.758 121.223 -0.093 0.000 2.354 706 L HA 1.037 5.375 4.340 -0.003 0.000 0.269 706 L C -0.253 176.544 176.870 -0.122 0.000 1.005 706 L CA -0.585 54.168 54.840 -0.146 0.000 0.819 706 L CB 1.709 43.626 42.059 -0.236 0.000 1.311 706 L HN 1.116 nan 8.230 nan 0.000 0.423 707 A N 0.997 123.751 122.820 -0.110 0.000 2.581 707 A HA 0.826 5.144 4.320 -0.003 0.000 0.290 707 A C -0.838 176.685 177.584 -0.103 0.000 1.119 707 A CA -0.245 51.709 52.037 -0.138 0.000 0.670 707 A CB 1.491 20.390 19.000 -0.169 0.000 1.280 707 A HN 0.715 nan 8.150 nan 0.000 0.425 708 G N -0.111 108.612 108.800 -0.130 0.000 2.343 708 G HA2 0.688 4.647 3.960 -0.003 0.000 0.319 708 G HA3 0.688 4.647 3.960 -0.003 0.000 0.319 708 G C 0.115 174.935 174.900 -0.133 0.000 1.126 708 G CA 0.300 45.342 45.100 -0.097 0.000 0.889 708 G HN 1.678 nan 8.290 nan 0.000 0.457 709 A N 1.422 124.195 122.820 -0.077 0.000 2.450 709 A HA 0.550 4.869 4.320 -0.003 0.000 0.255 709 A C -0.124 177.407 177.584 -0.087 0.000 1.096 709 A CA -0.115 51.875 52.037 -0.079 0.000 0.778 709 A CB 0.625 19.624 19.000 -0.002 0.000 1.031 709 A HN 1.060 nan 8.150 nan 0.000 0.494 710 V N 4.478 124.319 119.914 -0.120 0.000 2.498 710 V HA 0.178 4.296 4.120 -0.003 0.000 0.283 710 V C -0.322 175.802 176.094 0.050 0.000 1.015 710 V CA -0.557 61.713 62.300 -0.049 0.000 0.867 710 V CB 1.336 33.064 31.823 -0.159 0.000 1.025 710 V HN 0.661 nan 8.190 nan 0.000 0.441 711 V N 3.543 123.511 119.914 0.090 0.000 2.488 711 V HA 0.597 4.715 4.120 -0.003 0.000 0.277 711 V C 0.481 176.685 176.094 0.183 0.000 1.046 711 V CA 0.397 62.773 62.300 0.127 0.000 0.986 711 V CB 1.450 33.337 31.823 0.106 0.000 0.989 711 V HN 0.863 nan 8.190 nan 0.000 0.475 712 S N 2.216 118.064 115.700 0.246 0.000 2.540 712 S HA 0.366 4.834 4.470 -0.003 0.000 0.275 712 S C 0.283 175.031 174.600 0.248 0.000 1.123 712 S CA -0.707 57.659 58.200 0.277 0.000 0.907 712 S CB 1.879 65.327 63.200 0.413 0.000 1.081 712 S HN 0.769 nan 8.310 nan 0.000 0.476 713 D N 2.264 122.753 120.400 0.148 0.000 2.348 713 D HA 0.004 4.643 4.640 -0.003 0.000 0.216 713 D C 0.773 177.087 176.300 0.024 0.000 0.970 713 D CA 0.494 54.546 54.000 0.087 0.000 0.889 713 D CB -0.010 40.820 40.800 0.050 0.000 0.912 713 D HN 0.443 nan 8.370 nan 0.000 0.524 714 N N -0.019 118.664 118.700 -0.027 0.000 2.550 714 N HA -0.048 4.690 4.740 -0.003 0.000 0.186 714 N C -0.345 174.787 175.510 -0.629 0.000 1.110 714 N CA 0.311 53.173 53.050 -0.313 0.000 0.912 714 N CB 0.065 38.294 38.487 -0.430 0.000 0.968 714 N HN 0.145 nan 8.380 nan 0.000 0.448 715 F N 1.506 121.505 119.950 0.082 0.000 2.449 715 F HA 0.409 4.935 4.527 -0.003 0.000 0.342 715 F C -1.860 174.005 175.800 0.109 0.000 1.127 715 F CA -2.323 55.743 58.000 0.111 0.000 0.975 715 F CB 1.944 41.015 39.000 0.119 0.000 1.146 715 F HN -0.166 nan 8.300 nan 0.000 0.444 716 P HA 0.088 nan 4.420 nan 0.000 0.276 716 P C -0.811 176.620 177.300 0.218 0.000 1.261 716 P CA -0.748 62.436 63.100 0.139 0.000 0.800 716 P CB 1.033 32.760 31.700 0.044 0.000 1.066 717 K N 0.148 120.642 120.400 0.155 0.000 2.472 717 K HA 0.197 4.515 4.320 -0.003 0.000 0.280 717 K C 0.906 177.700 176.600 0.323 0.000 1.028 717 K CA 1.041 57.448 56.287 0.200 0.000 1.045 717 K CB -0.917 31.664 32.500 0.135 0.000 0.902 717 K HN 0.824 nan 8.250 nan 0.000 0.478 718 G N 3.779 112.753 108.800 0.291 0.000 2.131 718 G HA2 -0.201 3.757 3.960 -0.003 0.000 0.223 718 G HA3 -0.201 3.757 3.960 -0.003 0.000 0.223 718 G C -0.151 174.955 174.900 0.344 0.000 0.990 718 G CA 0.016 45.278 45.100 0.271 0.000 0.671 718 G HN 0.582 nan 8.290 nan 0.000 0.521 719 I N 0.050 120.840 120.570 0.366 0.000 2.656 719 I HA 0.630 4.798 4.170 -0.003 0.000 0.292 719 I C 0.172 176.386 176.117 0.162 0.000 1.144 719 I CA -1.423 60.106 61.300 0.382 0.000 1.038 719 I CB 2.366 40.724 38.000 0.596 0.000 1.244 719 I HN 0.253 nan 8.210 nan 0.000 0.420 720 V N 2.751 122.641 119.914 -0.039 0.000 3.102 720 V HA 0.751 4.869 4.120 -0.003 0.000 0.312 720 V C -0.856 175.029 176.094 -0.347 0.000 1.135 720 V CA -0.818 61.307 62.300 -0.293 0.000 1.022 720 V CB 2.216 33.774 31.823 -0.441 0.000 1.056 720 V HN 0.917 nan 8.190 nan 0.000 0.436 721 R N 1.526 121.762 120.500 -0.439 0.000 2.673 721 R HA 0.799 5.137 4.340 -0.003 0.000 0.281 721 R C -2.073 174.069 176.300 -0.263 0.000 0.991 721 R CA -0.797 55.097 56.100 -0.344 0.000 0.896 721 R CB 2.157 32.262 30.300 -0.324 0.000 1.201 721 R HN 0.926 nan 8.270 nan 0.000 0.457 722 I N 4.460 124.883 120.570 -0.246 0.000 2.534 722 I HA 0.254 4.422 4.170 -0.003 0.000 0.286 722 I C -0.284 175.768 176.117 -0.109 0.000 1.094 722 I CA -0.902 60.305 61.300 -0.156 0.000 1.055 722 I CB 1.799 39.708 38.000 -0.153 0.000 1.225 722 I HN 0.579 nan 8.210 nan 0.000 0.435 723 H N 5.120 124.222 119.070 0.053 0.000 2.928 723 H HA 0.052 4.606 4.556 -0.003 0.000 0.338 723 H C 0.282 175.652 175.328 0.070 0.000 1.047 723 H CA 0.311 56.406 56.048 0.079 0.000 1.435 723 H CB 1.189 31.008 29.762 0.094 0.000 1.428 723 H HN 0.548 nan 8.280 nan 0.000 0.590 724 E N 1.470 121.783 120.200 0.188 0.000 2.414 724 E HA 0.041 4.389 4.350 -0.003 0.000 0.263 724 E C 0.774 177.475 176.600 0.169 0.000 1.000 724 E CA 0.812 57.284 56.400 0.119 0.000 0.914 724 E CB 0.578 30.320 29.700 0.070 0.000 0.948 724 E HN 0.946 nan 8.360 nan 0.000 0.444 725 G N 2.792 111.705 108.800 0.188 0.000 2.284 725 G HA2 -0.218 3.740 3.960 -0.003 0.000 0.201 725 G HA3 -0.218 3.740 3.960 -0.003 0.000 0.201 725 G C 0.244 175.400 174.900 0.427 0.000 0.998 725 G CA 0.054 45.324 45.100 0.283 0.000 0.651 725 G HN 0.878 nan 8.290 nan 0.000 0.489 726 A N 0.736 123.795 122.820 0.398 0.000 2.484 726 A HA 0.454 4.772 4.320 -0.003 0.000 0.268 726 A C 0.466 178.443 177.584 0.655 0.000 1.114 726 A CA 0.020 52.396 52.037 0.566 0.000 0.780 726 A CB -0.308 18.916 19.000 0.374 0.000 1.061 726 A HN 0.591 nan 8.150 nan 0.000 0.505 727 W N 1.967 123.502 121.300 0.391 0.000 2.435 727 W HA 0.066 4.724 4.660 -0.003 0.000 0.337 727 W C 0.457 177.102 176.519 0.210 0.000 1.300 727 W CA 0.395 57.858 57.345 0.197 0.000 1.298 727 W CB -0.533 28.907 29.460 -0.033 0.000 1.217 727 W HN 0.603 nan 8.180 nan 0.000 0.565 728 Y N 3.256 123.669 120.300 0.189 0.000 2.465 728 Y HA 0.422 4.970 4.550 -0.003 0.000 0.331 728 Y C 0.693 176.625 175.900 0.054 0.000 1.102 728 Y CA -0.387 57.776 58.100 0.104 0.000 1.358 728 Y CB 0.609 39.097 38.460 0.047 0.000 1.213 728 Y HN 0.463 nan 8.280 nan 0.000 0.525 729 G N 8.618 117.298 108.800 -0.199 0.000 3.881 729 G HA2 0.265 4.223 3.960 -0.003 0.000 0.319 729 G HA3 0.265 4.223 3.960 -0.003 0.000 0.319 729 G C -3.264 171.446 174.900 -0.317 0.000 1.472 729 G CA -1.224 43.710 45.100 -0.277 0.000 0.851 729 G HN 0.490 nan 8.290 nan 0.000 0.495 730 P HA 0.446 nan 4.420 nan 0.000 0.274 730 P C 0.031 177.234 177.300 -0.162 0.000 1.231 730 P CA -0.150 62.757 63.100 -0.321 0.000 0.790 730 P CB 2.087 33.554 31.700 -0.388 0.000 0.951 731 V N -1.557 118.305 119.914 -0.087 0.000 3.130 731 V HA 0.851 4.969 4.120 -0.003 0.000 0.310 731 V C 0.355 176.436 176.094 -0.022 0.000 1.158 731 V CA -0.867 61.405 62.300 -0.047 0.000 1.029 731 V CB 1.283 33.089 31.823 -0.028 0.000 1.057 731 V HN 0.709 nan 8.190 nan 0.000 0.436 732 G N 0.321 109.114 108.800 -0.012 0.000 2.553 732 G HA2 0.287 4.245 3.960 -0.003 0.000 0.278 732 G HA3 0.287 4.245 3.960 -0.003 0.000 0.278 732 G C 0.417 175.323 174.900 0.010 0.000 1.349 732 G CA -0.148 44.953 45.100 0.001 0.000 1.037 732 G HN 0.944 nan 8.290 nan 0.000 0.508 733 K N -0.101 120.308 120.400 0.015 0.000 2.365 733 K HA -0.077 4.242 4.320 -0.003 0.000 0.199 733 K C 1.214 177.828 176.600 0.024 0.000 1.045 733 K CA 1.453 57.753 56.287 0.022 0.000 0.962 733 K CB -0.012 32.500 32.500 0.020 0.000 0.759 733 K HN 0.616 nan 8.250 nan 0.000 0.469 734 D N -1.689 118.722 120.400 0.018 0.000 2.363 734 D HA 0.082 4.720 4.640 -0.003 0.000 0.214 734 D C 0.916 177.227 176.300 0.018 0.000 1.093 734 D CA 0.544 54.555 54.000 0.017 0.000 0.837 734 D CB 0.083 40.890 40.800 0.011 0.000 0.948 734 D HN 0.190 nan 8.370 nan 0.000 0.507 735 G N 0.531 109.342 108.800 0.018 0.000 2.143 735 G HA2 -0.266 3.692 3.960 -0.003 0.000 0.248 735 G HA3 -0.266 3.692 3.960 -0.003 0.000 0.248 735 G C 0.319 175.222 174.900 0.006 0.000 0.991 735 G CA 0.440 45.550 45.100 0.016 0.000 0.689 735 G HN 0.778 nan 8.290 nan 0.000 0.522 736 S N -1.186 114.514 115.700 0.001 0.000 2.646 736 S HA 0.692 5.160 4.470 -0.003 0.000 0.276 736 S C 1.377 175.973 174.600 -0.007 0.000 1.222 736 S CA 0.563 58.760 58.200 -0.004 0.000 1.014 736 S CB 1.831 65.028 63.200 -0.005 0.000 0.991 736 S HN 0.332 nan 8.310 nan 0.000 0.533 737 T N 1.805 116.359 114.554 -0.001 0.000 2.674 737 T HA -0.100 4.248 4.350 -0.003 0.000 0.265 737 T C 1.512 176.212 174.700 -0.000 0.000 1.039 737 T CA 1.988 64.099 62.100 0.018 0.000 1.150 737 T CB -0.620 68.278 68.868 0.049 0.000 0.864 737 T HN 0.787 nan 8.240 nan 0.000 0.427 738 E N 0.863 121.060 120.200 -0.005 0.000 2.085 738 E HA -0.051 4.297 4.350 -0.003 0.000 0.194 738 E C 2.380 178.959 176.600 -0.035 0.000 0.994 738 E CA 1.112 57.498 56.400 -0.024 0.000 0.801 738 E CB -0.585 29.103 29.700 -0.020 0.000 0.743 738 E HN 0.527 nan 8.360 nan 0.000 0.453 739 G N 0.253 109.040 108.800 -0.022 0.000 2.535 739 G HA2 -0.175 3.783 3.960 -0.003 0.000 0.218 739 G HA3 -0.175 3.783 3.960 -0.003 0.000 0.218 739 G C 1.443 176.330 174.900 -0.022 0.000 1.122 739 G CA 0.507 45.599 45.100 -0.015 0.000 0.769 739 G HN 0.395 nan 8.290 nan 0.000 0.549 740 G N 0.534 109.305 108.800 -0.049 0.000 2.586 740 G HA2 0.124 4.082 3.960 -0.003 0.000 0.215 740 G HA3 0.124 4.082 3.960 -0.003 0.000 0.215 740 G C 1.643 176.513 174.900 -0.050 0.000 1.128 740 G CA 1.062 46.120 45.100 -0.070 0.000 0.774 740 G HN 0.555 nan 8.290 nan 0.000 0.543 741 A N 0.068 122.854 122.820 -0.057 0.000 2.123 741 A HA 0.259 4.577 4.320 -0.003 0.000 0.214 741 A C 1.045 178.670 177.584 0.070 0.000 1.152 741 A CA -0.023 51.998 52.037 -0.028 0.000 0.728 741 A CB 0.015 18.974 19.000 -0.069 0.000 0.814 741 A HN 0.453 nan 8.150 nan 0.000 0.464 742 E N 0.121 120.353 120.200 0.054 0.000 2.413 742 E HA 0.225 4.573 4.350 -0.003 0.000 0.263 742 E C -0.783 175.869 176.600 0.086 0.000 1.015 742 E CA -0.323 56.116 56.400 0.066 0.000 0.916 742 E CB 0.953 30.679 29.700 0.044 0.000 0.947 742 E HN 0.098 nan 8.360 nan 0.000 0.440 743 V N 2.899 122.860 119.914 0.078 0.000 2.439 743 V HA 0.297 4.415 4.120 -0.003 0.000 0.271 743 V C 1.173 177.301 176.094 0.055 0.000 1.040 743 V CA 1.240 63.579 62.300 0.066 0.000 1.002 743 V CB 0.369 32.217 31.823 0.041 0.000 1.000 743 V HN 1.040 nan 8.190 nan 0.000 0.477 744 G N 4.023 112.861 108.800 0.064 0.000 2.154 744 G HA2 -0.041 3.918 3.960 -0.003 0.000 0.186 744 G HA3 -0.041 3.918 3.960 -0.003 0.000 0.186 744 G C 0.322 175.258 174.900 0.060 0.000 1.000 744 G CA -0.095 45.038 45.100 0.055 0.000 0.664 744 G HN 1.346 nan 8.290 nan 0.000 0.513 745 A N 0.094 122.958 122.820 0.074 0.000 2.462 745 A HA 0.660 4.978 4.320 -0.003 0.000 0.243 745 A C 0.597 178.216 177.584 0.058 0.000 1.076 745 A CA 0.257 52.327 52.037 0.055 0.000 0.773 745 A CB 0.600 19.625 19.000 0.041 0.000 1.010 745 A HN 1.644 nan 8.150 nan 0.000 0.493 746 L N 3.203 124.443 121.223 0.028 0.000 2.416 746 L HA 0.317 4.655 4.340 -0.003 0.000 0.272 746 L C 0.246 177.116 176.870 -0.000 0.000 1.161 746 L CA -0.016 54.834 54.840 0.016 0.000 0.845 746 L CB 0.684 42.736 42.059 -0.011 0.000 1.119 746 L HN 0.730 nan 8.230 nan 0.000 0.464 747 C N 4.620 123.937 119.300 0.028 0.000 2.373 747 C HA 0.351 4.809 4.460 -0.003 0.000 0.354 747 C C 1.825 176.814 174.990 -0.001 0.000 1.249 747 C CA 0.035 59.067 59.018 0.022 0.000 1.784 747 C CB -0.635 27.198 27.740 0.154 0.000 2.408 747 C HN 1.037 nan 8.230 nan 0.000 0.542 748 S N 3.993 119.687 115.700 -0.011 0.000 2.507 748 S HA -0.139 4.329 4.470 -0.003 0.000 0.235 748 S C 1.208 175.867 174.600 0.097 0.000 0.988 748 S CA 0.922 59.128 58.200 0.009 0.000 0.944 748 S CB -0.331 62.873 63.200 0.007 0.000 0.762 748 S HN 0.960 nan 8.310 nan 0.000 0.526 749 Y N 1.631 121.923 120.300 -0.015 0.000 2.472 749 Y HA 0.475 5.023 4.550 -0.003 0.000 0.288 749 Y C 1.447 177.382 175.900 0.058 0.000 1.154 749 Y CA 0.375 58.495 58.100 0.033 0.000 1.238 749 Y CB 0.458 38.941 38.460 0.038 0.000 1.287 749 Y HN 0.352 nan 8.280 nan 0.000 0.524 750 G N 1.205 110.012 108.800 0.011 0.000 2.263 750 G HA2 -0.123 3.835 3.960 -0.003 0.000 0.207 750 G HA3 -0.123 3.835 3.960 -0.003 0.000 0.207 750 G C -1.224 173.692 174.900 0.028 0.000 1.072 750 G CA -0.210 44.849 45.100 -0.069 0.000 0.800 750 G HN 0.277 nan 8.290 nan 0.000 0.491 751 D N 1.310 121.802 120.400 0.153 0.000 2.371 751 D HA 0.270 4.908 4.640 -0.003 0.000 0.256 751 D C 0.099 176.412 176.300 0.021 0.000 1.193 751 D CA -1.650 52.431 54.000 0.137 0.000 0.881 751 D CB 1.659 42.578 40.800 0.197 0.000 1.143 751 D HN 0.176 nan 8.370 nan 0.000 0.473 752 P HA -0.154 nan 4.420 nan 0.000 0.216 752 P C 0.698 177.922 177.300 -0.128 0.000 1.150 752 P CA 0.743 63.788 63.100 -0.091 0.000 0.837 752 P CB 0.326 31.959 31.700 -0.112 0.000 0.786 753 N N -0.608 118.006 118.700 -0.143 0.000 2.609 753 N HA -0.037 4.701 4.740 -0.003 0.000 0.190 753 N C 1.224 176.600 175.510 -0.222 0.000 1.157 753 N CA 0.793 53.725 53.050 -0.198 0.000 0.918 753 N CB -0.477 37.873 38.487 -0.229 0.000 0.978 753 N HN 0.204 nan 8.380 nan 0.000 0.448 754 T N 0.443 114.895 114.554 -0.170 0.000 2.995 754 T HA 0.077 4.426 4.350 -0.003 0.000 0.269 754 T C 1.772 176.411 174.700 -0.102 0.000 1.091 754 T CA 0.585 62.603 62.100 -0.137 0.000 1.128 754 T CB 0.241 69.105 68.868 -0.006 0.000 0.891 754 T HN 0.237 nan 8.240 nan 0.000 0.492 755 L N 0.930 122.088 121.223 -0.109 0.000 2.766 755 L HA 0.229 4.567 4.340 -0.003 0.000 0.242 755 L C 1.173 177.968 176.870 -0.125 0.000 1.136 755 L CA -0.205 54.574 54.840 -0.101 0.000 0.933 755 L CB -0.309 41.693 42.059 -0.095 0.000 1.241 755 L HN 0.191 nan 8.230 nan 0.000 0.522 756 T N 0.208 114.672 114.554 -0.150 0.000 2.849 756 T HA 0.507 4.855 4.350 -0.003 0.000 0.284 756 T C -0.178 174.438 174.700 -0.140 0.000 1.004 756 T CA -0.678 61.331 62.100 -0.151 0.000 1.021 756 T CB 1.360 70.121 68.868 -0.179 0.000 1.013 756 T HN 0.045 nan 8.240 nan 0.000 0.527 757 L N -1.089 120.062 121.223 -0.119 0.000 2.331 757 L HA 0.751 5.089 4.340 -0.003 0.000 0.275 757 L C -0.455 176.341 176.870 -0.124 0.000 1.022 757 L CA -0.896 53.880 54.840 -0.106 0.000 0.812 757 L CB 0.800 42.817 42.059 -0.071 0.000 1.257 757 L HN 0.514 nan 8.230 nan 0.000 0.435 758 D N 2.756 123.082 120.400 -0.123 0.000 2.499 758 D HA 0.437 5.075 4.640 -0.003 0.000 0.225 758 D C -0.905 175.343 176.300 -0.086 0.000 1.124 758 D CA -0.035 53.887 54.000 -0.130 0.000 0.938 758 D CB 0.203 40.932 40.800 -0.118 0.000 1.014 758 D HN 0.420 nan 8.370 nan 0.000 0.517 759 I N 1.333 121.855 120.570 -0.080 0.000 2.785 759 I HA 0.472 4.640 4.170 -0.003 0.000 0.302 759 I C 0.861 176.937 176.117 -0.068 0.000 1.069 759 I CA -1.002 60.257 61.300 -0.067 0.000 1.045 759 I CB 1.899 39.858 38.000 -0.069 0.000 1.236 759 I HN 0.293 nan 8.210 nan 0.000 0.429 760 G N 1.520 110.279 108.800 -0.068 0.000 2.338 760 G HA2 0.339 4.297 3.960 -0.003 0.000 0.298 760 G HA3 0.339 4.297 3.960 -0.003 0.000 0.298 760 G C 0.779 175.617 174.900 -0.104 0.000 1.140 760 G CA -0.091 44.964 45.100 -0.074 0.000 0.860 760 G HN 0.717 nan 8.290 nan 0.000 0.470 761 T N 0.721 115.215 114.554 -0.101 0.000 2.649 761 T HA -0.125 4.223 4.350 -0.003 0.000 0.268 761 T C 1.319 175.938 174.700 -0.135 0.000 1.036 761 T CA 2.391 64.424 62.100 -0.113 0.000 1.157 761 T CB -0.263 68.556 68.868 -0.082 0.000 0.861 761 T HN 1.436 nan 8.240 nan 0.000 0.445 762 S N -2.167 113.471 115.700 -0.103 0.000 2.688 762 S HA 0.300 4.768 4.470 -0.003 0.000 0.269 762 S C -0.083 174.433 174.600 -0.141 0.000 1.060 762 S CA -0.713 57.439 58.200 -0.081 0.000 0.844 762 S CB 0.683 63.895 63.200 0.021 0.000 1.095 762 S HN 0.163 nan 8.310 nan 0.000 0.466 763 K N 0.152 120.415 120.400 -0.228 0.000 2.442 763 K HA 0.027 4.345 4.320 -0.003 0.000 0.199 763 K C 1.582 177.900 176.600 -0.469 0.000 1.044 763 K CA 0.967 56.968 56.287 -0.476 0.000 0.941 763 K CB -0.289 31.681 32.500 -0.885 0.000 0.759 763 K HN 0.482 nan 8.250 nan 0.000 0.472 764 L N -0.180 120.933 121.223 -0.184 0.000 2.068 764 L HA -0.031 4.307 4.340 -0.003 0.000 0.204 764 L C 1.757 178.605 176.870 -0.037 0.000 1.076 764 L CA 1.907 56.740 54.840 -0.011 0.000 0.753 764 L CB -0.375 41.723 42.059 0.065 0.000 0.910 764 L HN 0.101 nan 8.230 nan 0.000 0.439 765 A N -2.189 120.594 122.820 -0.062 0.000 2.358 765 A HA 0.108 4.426 4.320 -0.003 0.000 0.223 765 A C 0.690 178.225 177.584 -0.081 0.000 1.218 765 A CA -0.193 51.804 52.037 -0.066 0.000 0.942 765 A CB 0.214 19.169 19.000 -0.074 0.000 1.005 765 A HN 0.518 nan 8.150 nan 0.000 0.514 766 Q N -0.639 119.106 119.800 -0.090 0.000 2.416 766 Q HA -0.244 4.094 4.340 -0.003 0.000 0.319 766 Q C 0.338 176.291 176.000 -0.078 0.000 1.318 766 Q CA 0.876 56.632 55.803 -0.079 0.000 0.915 766 Q CB -2.254 26.448 28.738 -0.060 0.000 1.184 766 Q HN 0.922 nan 8.270 nan 0.000 0.444 767 A N -0.372 122.391 122.820 -0.095 0.000 2.352 767 A HA 0.519 4.837 4.320 -0.003 0.000 0.299 767 A C 0.151 177.672 177.584 -0.105 0.000 1.160 767 A CA -0.079 51.886 52.037 -0.121 0.000 0.933 767 A CB 1.198 20.117 19.000 -0.135 0.000 1.387 767 A HN 0.580 nan 8.150 nan 0.000 0.487 768 C N 0.405 119.634 119.300 -0.119 0.000 2.596 768 C HA 0.394 4.852 4.460 -0.003 0.000 0.414 768 C C 1.021 176.018 174.990 0.011 0.000 1.396 768 C CA 0.590 59.582 59.018 -0.044 0.000 1.698 768 C CB -0.977 26.780 27.740 0.029 0.000 2.572 768 C HN 0.597 nan 8.230 nan 0.000 0.604 769 S N 3.798 119.507 115.700 0.014 0.000 2.741 769 S HA 0.231 4.699 4.470 -0.003 0.000 0.247 769 S C 1.416 176.068 174.600 0.087 0.000 1.050 769 S CA 0.270 58.499 58.200 0.049 0.000 1.025 769 S CB 0.486 63.680 63.200 -0.010 0.000 0.897 769 S HN 1.011 nan 8.310 nan 0.000 0.508 770 A N 0.693 123.566 122.820 0.088 0.000 2.009 770 A HA -0.205 4.113 4.320 -0.003 0.000 0.222 770 A C 1.444 179.003 177.584 -0.043 0.000 1.175 770 A CA 1.682 53.720 52.037 0.001 0.000 0.651 770 A CB -0.815 18.166 19.000 -0.033 0.000 0.815 770 A HN 0.601 nan 8.150 nan 0.000 0.459 771 Y N 0.134 120.501 120.300 0.112 0.000 2.583 771 Y HA 0.030 4.578 4.550 -0.003 0.000 0.293 771 Y C 0.954 177.045 175.900 0.318 0.000 1.157 771 Y CA 0.991 59.217 58.100 0.210 0.000 1.315 771 Y CB -0.235 38.404 38.460 0.298 0.000 1.021 771 Y HN 0.111 nan 8.280 nan 0.000 0.536 772 T N 0.837 115.560 114.554 0.283 0.000 3.176 772 T HA 0.279 4.627 4.350 -0.003 0.000 0.301 772 T C -0.715 174.080 174.700 0.158 0.000 1.115 772 T CA -0.023 62.214 62.100 0.229 0.000 1.027 772 T CB -0.563 68.378 68.868 0.122 0.000 1.063 772 T HN 0.205 nan 8.240 nan 0.000 0.669 773 C N 4.996 124.430 119.300 0.224 0.000 2.701 773 C HA 0.690 5.148 4.460 -0.003 0.000 0.336 773 C C -1.350 173.735 174.990 0.158 0.000 1.123 773 C CA -0.920 58.161 59.018 0.105 0.000 1.326 773 C CB 0.189 27.916 27.740 -0.022 0.000 1.833 773 C HN 0.813 nan 8.230 nan 0.000 0.473 774 L N 6.291 127.558 121.223 0.073 0.000 2.365 774 L HA 0.883 5.222 4.340 -0.003 0.000 0.273 774 L C 0.097 176.947 176.870 -0.034 0.000 1.000 774 L CA -0.339 54.550 54.840 0.082 0.000 0.819 774 L CB 1.852 43.980 42.059 0.114 0.000 1.284 774 L HN 0.731 nan 8.230 nan 0.000 0.418 775 V N 0.252 120.160 119.914 -0.009 0.000 3.076 775 V HA 0.819 4.937 4.120 -0.003 0.000 0.311 775 V C -1.540 174.544 176.094 -0.016 0.000 1.346 775 V CA -0.534 61.703 62.300 -0.105 0.000 1.056 775 V CB 2.260 34.005 31.823 -0.130 0.000 1.093 775 V HN 0.788 nan 8.190 nan 0.000 0.468 776 E N -0.174 119.923 120.200 -0.173 0.000 2.412 776 E HA 0.763 5.111 4.350 -0.003 0.000 0.279 776 E C -1.574 174.860 176.600 -0.276 0.000 0.984 776 E CA -0.443 55.832 56.400 -0.209 0.000 0.788 776 E CB 2.169 31.671 29.700 -0.330 0.000 1.277 776 E HN 1.268 nan 8.360 nan 0.000 0.455 777 F N 0.352 120.145 119.950 -0.262 0.000 2.631 777 F HA 0.812 5.337 4.527 -0.003 0.000 0.308 777 F C -0.980 174.881 175.800 0.103 0.000 1.097 777 F CA -0.793 57.168 58.000 -0.066 0.000 0.952 777 F CB 1.330 40.307 39.000 -0.037 0.000 1.307 777 F HN 0.527 nan 8.300 nan 0.000 0.450 778 E N 0.674 121.057 120.200 0.305 0.000 2.449 778 E HA 0.335 4.683 4.350 -0.003 0.000 0.278 778 E C -1.856 174.882 176.600 0.229 0.000 0.992 778 E CA -1.367 55.142 56.400 0.181 0.000 0.807 778 E CB 2.331 32.169 29.700 0.231 0.000 1.350 778 E HN 0.748 nan 8.360 nan 0.000 0.462 779 K N 1.459 121.950 120.400 0.151 0.000 2.349 779 K HA 0.063 4.381 4.320 -0.003 0.000 0.288 779 K C -1.108 175.595 176.600 0.171 0.000 1.058 779 K CA -0.436 55.942 56.287 0.152 0.000 0.953 779 K CB 0.312 32.865 32.500 0.088 0.000 0.997 779 K HN 0.494 nan 8.250 nan 0.000 0.477 780 Y N 4.059 124.402 120.300 0.071 0.000 2.544 780 Y HA -0.021 4.527 4.550 -0.003 0.000 0.330 780 Y C -0.605 175.313 175.900 0.031 0.000 1.136 780 Y CA 0.561 58.691 58.100 0.050 0.000 1.417 780 Y CB 0.586 39.075 38.460 0.049 0.000 1.229 780 Y HN 0.533 nan 8.280 nan 0.000 0.532 781 Q N 5.540 124.983 119.800 -0.594 0.000 2.695 781 Q HA 0.534 4.872 4.340 -0.003 0.000 0.246 781 Q C -0.572 175.035 176.000 -0.655 0.000 0.961 781 Q CA -0.424 55.068 55.803 -0.520 0.000 0.708 781 Q CB 1.491 30.098 28.738 -0.217 0.000 1.282 781 Q HN 0.982 nan 8.270 nan 0.000 0.482 782 G N 1.036 109.315 108.800 -0.869 0.000 2.495 782 G HA2 0.302 4.260 3.960 -0.003 0.000 0.294 782 G HA3 0.302 4.260 3.960 -0.003 0.000 0.294 782 G C -1.690 173.065 174.900 -0.241 0.000 1.397 782 G CA -0.860 43.953 45.100 -0.477 0.000 0.790 782 G HN 0.184 nan 8.290 nan 0.000 0.486 783 K N 0.434 120.819 120.400 -0.024 0.000 2.447 783 K HA 0.381 4.699 4.320 -0.003 0.000 0.281 783 K C 0.126 176.836 176.600 0.184 0.000 1.031 783 K CA -0.061 56.258 56.287 0.054 0.000 1.019 783 K CB 0.545 33.073 32.500 0.046 0.000 0.918 783 K HN 0.321 nan 8.250 nan 0.000 0.476 784 V N 8.494 128.516 119.914 0.180 0.000 2.455 784 V HA 0.240 4.358 4.120 -0.003 0.000 0.273 784 V C -1.401 174.765 176.094 0.120 0.000 1.045 784 V CA -1.174 61.259 62.300 0.222 0.000 0.976 784 V CB 0.430 32.362 31.823 0.182 0.000 0.993 784 V HN 0.926 nan 8.190 nan 0.000 0.475 785 P HA 0.348 nan 4.420 nan 0.000 0.279 785 P C -0.886 176.441 177.300 0.044 0.000 1.276 785 P CA -0.836 62.295 63.100 0.053 0.000 0.801 785 P CB 1.364 33.083 31.700 0.032 0.000 1.127 786 K N 0.085 120.505 120.400 0.034 0.000 2.098 786 K HA 0.320 4.638 4.320 -0.003 0.000 0.258 786 K C -0.667 175.954 176.600 0.034 0.000 0.973 786 K CA -0.770 55.538 56.287 0.036 0.000 0.898 786 K CB 1.080 33.594 32.500 0.024 0.000 1.057 786 K HN 0.137 nan 8.250 nan 0.000 0.447 787 V N 3.380 123.325 119.914 0.052 0.000 2.572 787 V HA -0.037 4.081 4.120 -0.003 0.000 0.291 787 V C 1.115 177.206 176.094 -0.004 0.000 1.039 787 V CA 0.337 62.660 62.300 0.039 0.000 1.055 787 V CB 1.179 33.059 31.823 0.094 0.000 0.969 787 V HN 1.001 nan 8.190 nan 0.000 0.482 788 S N 1.414 117.091 115.700 -0.039 0.000 2.524 788 S HA -0.013 4.455 4.470 -0.003 0.000 0.215 788 S C 1.651 176.245 174.600 -0.011 0.000 0.986 788 S CA 0.329 58.523 58.200 -0.011 0.000 0.911 788 S CB 0.278 63.484 63.200 0.011 0.000 0.805 788 S HN 0.644 nan 8.310 nan 0.000 0.501 789 S N 1.819 117.397 115.700 -0.203 0.000 2.383 789 S HA 0.087 4.555 4.470 -0.003 0.000 0.227 789 S C 0.809 175.285 174.600 -0.207 0.000 1.026 789 S CA 1.099 59.111 58.200 -0.314 0.000 0.981 789 S CB -0.447 62.295 63.200 -0.764 0.000 0.818 789 S HN 0.658 nan 8.310 nan 0.000 0.472 790 F N 0.843 120.857 119.950 0.106 0.000 2.695 790 F HA 0.332 4.857 4.527 -0.003 0.000 0.303 790 F C 1.184 177.002 175.800 0.030 0.000 1.091 790 F CA -0.483 57.550 58.000 0.055 0.000 1.300 790 F CB 0.004 38.914 39.000 -0.149 0.000 1.071 790 F HN 0.027 nan 8.300 nan 0.000 0.578 791 D N 0.347 120.812 120.400 0.108 0.000 2.328 791 D HA 0.260 4.898 4.640 -0.003 0.000 0.221 791 D C 1.399 177.582 176.300 -0.196 0.000 1.072 791 D CA 0.831 54.818 54.000 -0.023 0.000 0.850 791 D CB 0.079 40.849 40.800 -0.049 0.000 0.922 791 D HN 0.266 nan 8.370 nan 0.000 0.516 792 G N 1.993 110.635 108.800 -0.263 0.000 2.828 792 G HA2 -0.201 3.757 3.960 -0.003 0.000 0.463 792 G HA3 -0.201 3.757 3.960 -0.003 0.000 0.463 792 G C -2.511 171.586 174.900 -1.338 0.000 1.394 792 G CA -0.805 43.888 45.100 -0.679 0.000 0.862 792 G HN 0.042 nan 8.290 nan 0.000 0.540 793 P HA 0.481 nan 4.420 nan 0.000 0.274 793 P C -0.012 176.848 177.300 -0.733 0.000 1.246 793 P CA -0.384 61.834 63.100 -1.469 0.000 0.795 793 P CB 0.738 31.648 31.700 -1.317 0.000 1.006 794 I N 1.338 121.640 120.570 -0.447 0.000 2.312 794 I HA 0.176 4.344 4.170 -0.003 0.000 0.291 794 I C 0.880 176.922 176.117 -0.124 0.000 1.031 794 I CA -0.329 60.836 61.300 -0.225 0.000 1.293 794 I CB 0.458 38.381 38.000 -0.128 0.000 1.403 794 I HN 0.213 nan 8.210 nan 0.000 0.484 795 E N 5.905 126.042 120.200 -0.105 0.000 2.194 795 E HA 0.321 4.670 4.350 -0.003 0.000 0.284 795 E C -0.957 175.627 176.600 -0.028 0.000 1.035 795 E CA -0.445 55.930 56.400 -0.041 0.000 0.836 795 E CB 1.830 31.511 29.700 -0.031 0.000 1.070 795 E HN 0.299 nan 8.360 nan 0.000 0.401 796 V N 4.007 123.917 119.914 -0.007 0.000 2.435 796 V HA 0.151 4.269 4.120 -0.003 0.000 0.290 796 V C 0.042 176.128 176.094 -0.013 0.000 1.030 796 V CA -0.684 61.608 62.300 -0.014 0.000 0.881 796 V CB 1.314 33.128 31.823 -0.015 0.000 0.983 796 V HN 0.669 nan 8.190 nan 0.000 0.445 797 E N 5.875 126.063 120.200 -0.020 0.000 2.166 797 E HA 0.717 5.065 4.350 -0.003 0.000 0.275 797 E C -0.565 176.025 176.600 -0.018 0.000 0.941 797 E CA -0.716 55.671 56.400 -0.022 0.000 0.784 797 E CB 2.288 31.971 29.700 -0.028 0.000 1.115 797 E HN 0.680 nan 8.360 nan 0.000 0.399 798 I N 0.000 120.561 120.570 -0.015 0.000 2.984 798 I HA 0.000 4.168 4.170 -0.003 0.000 0.288 798 I CA 0.000 61.293 61.300 -0.012 0.000 1.566 798 I CB 0.000 37.996 38.000 -0.007 0.000 1.214 798 I HN 0.000 nan 8.210 nan 0.000 0.494