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 9cgt_1_A DATA FIRST_RESID 1 DATA SEQUENCE DPDTAVTNKQ SFSTDVIYQV FTDRFLDGNP SNNPTGAAYD ATcSNLKLYc DATA SEQUENCE GGDWQGLINK INDNYFSDLG VTALWISQPV ENIFATINYS GVTNTAYHGY DATA SEQUENCE WARDFKKTNP YFGTMADFQN LITTAHAKGI KIVIDFAPNH TSPAMETDTS DATA SEQUENCE FAENGRLYDN GTLVGGYTND TNGYFHHNGG SDFSSLENGI YKNLYDLADF DATA SEQUENCE NHNNATIDKY FKDAIKLWLD MGVDGIRVDA VKHMPLGWQK SWMSSIYAHK DATA SEQUENCE PVFTFGAWFL GSAASDADNT DFANKSGMSL LDFRFNSAVR NVFRDNTSNM DATA SEQUENCE YALDSMINST ATDYNQVNDQ VTFIDNHDMD RFKTSAVNNR RLEQALAFTL DATA SEQUENCE TSRGVPAIYY GTEQYLTGNG DPDNRAKMPS FSKSTTAFNV ISKLAPLRKS DATA SEQUENCE NPAIAYGSTQ QRWINNDVYV YERKFGKSVA VVAVNRNLST SASITGLSTS DATA SEQUENCE LPTGSYTDVL GGVLNGNNIT STNGSINNFT LAAGATAVWQ YTTAETTPTI DATA SEQUENCE GHVGPVMGKP GNVVTIDGRG FGSTKGTVYF GTTAVTGAAI TSWEDTQIKV DATA SEQUENCE TIPSVAAGNY AVKVAASGVN SNAYNNFTIL TGDQVTVRFV VNNASTTLGQ DATA SEQUENCE NLYLTGNVAE LGNWSTGSTA IGPAFNQVIH QYPTWYYDVS VPAGKQLEFK DATA SEQUENCE FFKKNGSTIT WESGSNHTFT TPASGTATVT VNWQ VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 D HA 0.000 nan 4.640 nan 0.000 0.175 1 D C 0.000 176.284 176.300 -0.027 0.000 2.045 1 D CA 0.000 53.985 54.000 -0.025 0.000 0.868 1 D CB 0.000 40.776 40.800 -0.039 0.000 0.688 2 P HA 0.122 nan 4.420 nan 0.000 0.272 2 P C 0.852 178.124 177.300 -0.046 0.000 1.240 2 P CA -0.251 62.828 63.100 -0.036 0.000 0.791 2 P CB 0.746 32.421 31.700 -0.042 0.000 0.978 3 D N -0.705 119.673 120.400 -0.037 0.000 2.263 3 D HA -0.121 4.517 4.640 -0.003 0.000 0.208 3 D C 1.089 177.347 176.300 -0.069 0.000 0.971 3 D CA 1.557 55.538 54.000 -0.031 0.000 0.867 3 D CB -1.124 39.688 40.800 0.021 0.000 0.929 3 D HN 0.205 nan 8.370 nan 0.000 0.492 4 T N 0.365 114.872 114.554 -0.078 0.000 2.942 4 T HA 0.180 4.528 4.350 -0.003 0.000 0.265 4 T C 1.143 175.764 174.700 -0.132 0.000 1.062 4 T CA 0.644 62.675 62.100 -0.114 0.000 1.139 4 T CB -0.249 68.562 68.868 -0.095 0.000 0.883 4 T HN 0.428 nan 8.240 nan 0.000 0.468 5 A N 0.841 123.594 122.820 -0.111 0.000 2.536 5 A HA 0.193 4.511 4.320 -0.003 0.000 0.234 5 A C 1.800 179.289 177.584 -0.158 0.000 1.076 5 A CA -0.097 51.871 52.037 -0.115 0.000 0.769 5 A CB -0.017 18.927 19.000 -0.092 0.000 1.020 5 A HN 0.210 nan 8.150 nan 0.000 0.508 6 V N 1.722 121.542 119.914 -0.157 0.000 2.913 6 V HA -0.143 3.975 4.120 -0.003 0.000 0.260 6 V C 2.294 178.242 176.094 -0.243 0.000 1.098 6 V CA 2.775 64.955 62.300 -0.200 0.000 1.121 6 V CB -1.044 30.684 31.823 -0.158 0.000 0.714 6 V HN 1.163 nan 8.190 nan 0.000 0.487 7 T N -1.764 112.671 114.554 -0.198 0.000 3.113 7 T HA -0.040 4.308 4.350 -0.003 0.000 0.263 7 T C 1.058 175.676 174.700 -0.136 0.000 1.143 7 T CA 0.575 62.566 62.100 -0.181 0.000 1.090 7 T CB -0.688 68.103 68.868 -0.129 0.000 0.922 7 T HN 0.430 nan 8.240 nan 0.000 0.521 8 N N 1.873 120.483 118.700 -0.150 0.000 2.739 8 N HA 0.177 4.916 4.740 -0.003 0.000 0.266 8 N C 0.670 176.119 175.510 -0.100 0.000 1.168 8 N CA -0.173 52.807 53.050 -0.116 0.000 1.055 8 N CB 0.402 38.808 38.487 -0.136 0.000 1.393 8 N HN 0.423 nan 8.380 nan 0.000 0.514 9 K N 1.195 121.593 120.400 -0.004 0.000 2.439 9 K HA -0.047 4.272 4.320 -0.003 0.000 0.197 9 K C 0.693 177.456 176.600 0.271 0.000 1.041 9 K CA 0.828 57.199 56.287 0.140 0.000 0.970 9 K CB 0.396 32.975 32.500 0.132 0.000 0.773 9 K HN 0.403 nan 8.250 nan 0.000 0.479 10 Q N -0.213 119.691 119.800 0.174 0.000 2.392 10 Q HA 0.132 4.470 4.340 -0.003 0.000 0.203 10 Q C -0.127 176.030 176.000 0.263 0.000 0.917 10 Q CA 0.084 56.024 55.803 0.227 0.000 0.939 10 Q CB 1.256 30.072 28.738 0.131 0.000 1.063 10 Q HN -0.043 nan 8.270 nan 0.000 0.516 11 S N -0.891 114.874 115.700 0.108 0.000 2.614 11 S HA 0.479 4.947 4.470 -0.003 0.000 0.275 11 S C -1.152 173.280 174.600 -0.280 0.000 1.161 11 S CA -0.597 57.500 58.200 -0.170 0.000 0.969 11 S CB 0.240 63.269 63.200 -0.285 0.000 1.059 11 S HN 0.143 nan 8.310 nan 0.000 0.482 12 F N 2.414 121.868 119.950 -0.827 0.000 2.661 12 F HA 0.322 4.848 4.527 -0.003 0.000 0.306 12 F C 2.111 177.564 175.800 -0.578 0.000 1.094 12 F CA -0.162 57.425 58.000 -0.688 0.000 1.254 12 F CB 0.319 38.793 39.000 -0.876 0.000 1.040 12 F HN 0.533 nan 8.300 nan 0.000 0.562 13 S N -0.344 115.081 115.700 -0.458 0.000 2.400 13 S HA -0.196 4.273 4.470 -0.003 0.000 0.232 13 S C 2.203 176.545 174.600 -0.430 0.000 1.025 13 S CA 2.064 60.011 58.200 -0.421 0.000 0.993 13 S CB -0.477 62.463 63.200 -0.432 0.000 0.808 13 S HN 0.555 nan 8.310 nan 0.000 0.478 14 T N -0.830 113.469 114.554 -0.425 0.000 3.107 14 T HA 0.146 4.494 4.350 -0.003 0.000 0.249 14 T C 0.145 174.673 174.700 -0.287 0.000 1.096 14 T CA -0.222 61.650 62.100 -0.381 0.000 1.012 14 T CB 0.018 68.678 68.868 -0.347 0.000 0.977 14 T HN 0.069 nan 8.240 nan 0.000 0.527 15 D N 0.834 121.070 120.400 -0.275 0.000 2.437 15 D HA 0.537 5.176 4.640 -0.003 0.000 0.259 15 D C -0.796 175.433 176.300 -0.118 0.000 1.118 15 D CA -0.492 53.385 54.000 -0.206 0.000 1.017 15 D CB 2.297 42.943 40.800 -0.257 0.000 1.120 15 D HN 0.021 nan 8.370 nan 0.000 0.541 16 V N 1.716 121.596 119.914 -0.058 0.000 2.462 16 V HA 0.279 4.398 4.120 -0.003 0.000 0.288 16 V C 0.164 176.305 176.094 0.079 0.000 1.020 16 V CA -0.636 61.661 62.300 -0.004 0.000 0.857 16 V CB 1.330 33.139 31.823 -0.024 0.000 1.013 16 V HN 0.354 nan 8.190 nan 0.000 0.431 17 I N 4.180 124.837 120.570 0.145 0.000 2.519 17 I HA 0.284 4.452 4.170 -0.003 0.000 0.287 17 I C -0.694 175.596 176.117 0.288 0.000 1.047 17 I CA -0.364 61.085 61.300 0.249 0.000 1.381 17 I CB 0.773 38.961 38.000 0.312 0.000 1.417 17 I HN 0.604 nan 8.210 nan 0.000 0.540 18 Y N 5.902 126.284 120.300 0.137 0.000 2.447 18 Y HA 0.228 4.777 4.550 -0.003 0.000 0.325 18 Y C -0.038 175.934 175.900 0.121 0.000 0.976 18 Y CA -0.552 57.608 58.100 0.101 0.000 1.280 18 Y CB 0.783 39.222 38.460 -0.036 0.000 1.104 18 Y HN 0.498 nan 8.280 nan 0.000 0.486 19 Q N 5.389 125.128 119.800 -0.102 0.000 2.288 19 Q HA 0.516 4.855 4.340 -0.003 0.000 0.258 19 Q C -1.704 174.179 176.000 -0.194 0.000 0.957 19 Q CA -0.291 55.374 55.803 -0.230 0.000 0.919 19 Q CB 1.221 29.685 28.738 -0.457 0.000 1.185 19 Q HN 0.615 nan 8.270 nan 0.000 0.408 20 V N 5.687 125.479 119.914 -0.205 0.000 2.760 20 V HA 0.407 4.525 4.120 -0.003 0.000 0.309 20 V C -1.571 174.399 176.094 -0.206 0.000 1.077 20 V CA -0.731 61.439 62.300 -0.216 0.000 0.910 20 V CB 1.631 33.300 31.823 -0.258 0.000 1.008 20 V HN 0.744 nan 8.190 nan 0.000 0.424 21 F N 5.151 124.770 119.950 -0.552 0.000 2.434 21 F HA 0.338 4.864 4.527 -0.003 0.000 0.358 21 F C 1.883 177.496 175.800 -0.312 0.000 1.136 21 F CA 0.400 58.203 58.000 -0.329 0.000 1.157 21 F CB 1.209 40.118 39.000 -0.152 0.000 1.167 21 F HN 0.709 nan 8.300 nan 0.000 0.539 22 T N 1.389 115.786 114.554 -0.261 0.000 2.653 22 T HA -0.328 4.021 4.350 -0.003 0.000 0.268 22 T C 1.712 176.375 174.700 -0.061 0.000 1.035 22 T CA 2.125 64.062 62.100 -0.272 0.000 1.154 22 T CB -0.259 68.134 68.868 -0.791 0.000 0.862 22 T HN 0.614 nan 8.240 nan 0.000 0.441 23 D N 0.356 120.791 120.400 0.058 0.000 2.218 23 D HA -0.090 4.548 4.640 -0.003 0.000 0.204 23 D C 1.991 178.426 176.300 0.225 0.000 0.976 23 D CA 0.712 54.883 54.000 0.285 0.000 0.853 23 D CB 0.142 41.200 40.800 0.430 0.000 0.939 23 D HN 0.084 nan 8.370 nan 0.000 0.481 24 R N -0.683 119.923 120.500 0.177 0.000 2.359 24 R HA 0.109 4.447 4.340 -0.003 0.000 0.231 24 R C 0.907 177.293 176.300 0.144 0.000 0.913 24 R CA -0.124 56.056 56.100 0.133 0.000 1.075 24 R CB -0.446 29.933 30.300 0.132 0.000 1.087 24 R HN 0.294 nan 8.270 nan 0.000 0.515 25 F N 0.107 120.060 119.950 0.004 0.000 2.213 25 F HA 0.311 4.837 4.527 -0.003 0.000 0.272 25 F C 0.497 176.426 175.800 0.216 0.000 1.095 25 F CA 0.581 58.643 58.000 0.104 0.000 1.128 25 F CB 0.480 39.554 39.000 0.123 0.000 1.091 25 F HN -0.185 nan 8.300 nan 0.000 0.530 26 L N 1.094 122.477 121.223 0.267 0.000 2.505 26 L HA 0.238 4.576 4.340 -0.003 0.000 0.266 26 L C -1.805 175.166 176.870 0.169 0.000 0.954 26 L CA -0.647 54.278 54.840 0.141 0.000 0.852 26 L CB 1.582 43.666 42.059 0.042 0.000 1.282 26 L HN 0.074 nan 8.230 nan 0.000 0.403 27 D N 2.656 123.132 120.400 0.128 0.000 2.483 27 D HA 0.276 4.915 4.640 -0.003 0.000 0.220 27 D C 1.068 177.423 176.300 0.092 0.000 1.173 27 D CA 0.129 54.205 54.000 0.126 0.000 0.964 27 D CB 1.373 42.252 40.800 0.131 0.000 1.046 27 D HN 0.696 nan 8.370 nan 0.000 0.517 28 G N 3.238 112.099 108.800 0.101 0.000 2.712 28 G HA2 -0.118 3.840 3.960 -0.003 0.000 0.212 28 G HA3 -0.118 3.840 3.960 -0.003 0.000 0.212 28 G C 0.660 175.600 174.900 0.067 0.000 1.142 28 G CA -0.300 44.846 45.100 0.077 0.000 0.789 28 G HN 0.555 nan 8.290 nan 0.000 0.535 29 N N -0.399 118.344 118.700 0.070 0.000 2.581 29 N HA 0.263 5.001 4.740 -0.003 0.000 0.279 29 N C -2.508 173.019 175.510 0.029 0.000 1.124 29 N CA -1.407 51.673 53.050 0.049 0.000 0.833 29 N CB 2.285 40.808 38.487 0.060 0.000 1.338 29 N HN -0.233 nan 8.380 nan 0.000 0.533 30 P HA 0.050 nan 4.420 nan 0.000 0.233 30 P C 0.765 178.025 177.300 -0.066 0.000 1.167 30 P CA 0.589 63.674 63.100 -0.024 0.000 0.770 30 P CB 0.384 32.081 31.700 -0.005 0.000 0.837 31 S N 0.463 116.140 115.700 -0.038 0.000 2.447 31 S HA -0.110 4.358 4.470 -0.003 0.000 0.233 31 S C 1.433 175.999 174.600 -0.057 0.000 1.006 31 S CA 1.368 59.540 58.200 -0.046 0.000 0.957 31 S CB -0.895 62.292 63.200 -0.021 0.000 0.773 31 S HN 0.400 nan 8.310 nan 0.000 0.507 32 N N 0.875 119.550 118.700 -0.042 0.000 2.270 32 N HA 0.076 4.815 4.740 -0.003 0.000 0.198 32 N C -0.609 174.886 175.510 -0.024 0.000 1.117 32 N CA -0.206 52.829 53.050 -0.025 0.000 0.845 32 N CB -0.426 38.060 38.487 -0.002 0.000 0.980 32 N HN 0.019 nan 8.380 nan 0.000 0.486 33 N N 2.719 121.325 118.700 -0.157 0.000 2.492 33 N HA 0.182 4.920 4.740 -0.003 0.000 0.260 33 N C -2.242 172.985 175.510 -0.471 0.000 1.215 33 N CA -1.045 51.782 53.050 -0.371 0.000 0.923 33 N CB 0.373 38.476 38.487 -0.640 0.000 1.092 33 N HN 0.279 nan 8.380 nan 0.000 0.448 34 P HA 0.108 nan 4.420 nan 0.000 0.272 34 P C -0.414 176.624 177.300 -0.437 0.000 1.240 34 P CA -0.218 62.462 63.100 -0.700 0.000 0.791 34 P CB 0.510 31.470 31.700 -1.234 0.000 0.978 35 T N -3.351 111.056 114.554 -0.245 0.000 2.942 35 T HA 0.675 5.023 4.350 -0.003 0.000 0.289 35 T C 0.490 175.164 174.700 -0.042 0.000 1.044 35 T CA 0.079 62.101 62.100 -0.130 0.000 1.023 35 T CB 1.277 70.080 68.868 -0.108 0.000 1.123 35 T HN 0.839 nan 8.240 nan 0.000 0.512 36 G N 0.828 109.635 108.800 0.012 0.000 2.512 36 G HA2 0.110 4.069 3.960 -0.003 0.000 0.240 36 G HA3 0.110 4.069 3.960 -0.003 0.000 0.240 36 G C 0.933 175.866 174.900 0.055 0.000 1.246 36 G CA 0.127 45.243 45.100 0.026 0.000 0.919 36 G HN 1.724 nan 8.290 nan 0.000 0.577 37 A N -0.239 122.606 122.820 0.041 0.000 2.209 37 A HA 0.536 4.854 4.320 -0.003 0.000 0.212 37 A C 2.547 180.172 177.584 0.068 0.000 1.158 37 A CA 2.287 54.352 52.037 0.046 0.000 0.742 37 A CB -0.593 18.428 19.000 0.035 0.000 0.790 37 A HN 2.261 nan 8.150 nan 0.000 0.472 38 A N -1.959 120.911 122.820 0.084 0.000 2.218 38 A HA 0.368 4.686 4.320 -0.003 0.000 0.209 38 A C 0.516 178.216 177.584 0.193 0.000 1.168 38 A CA 0.265 52.381 52.037 0.132 0.000 0.804 38 A CB -0.219 18.837 19.000 0.094 0.000 0.834 38 A HN 0.531 nan 8.150 nan 0.000 0.482 39 Y N -0.429 119.864 120.300 -0.012 0.000 2.509 39 Y HA 0.584 5.132 4.550 -0.003 0.000 0.341 39 Y C -1.578 174.318 175.900 -0.007 0.000 1.038 39 Y CA -1.995 56.095 58.100 -0.017 0.000 1.089 39 Y CB 1.683 40.096 38.460 -0.079 0.000 1.241 39 Y HN 0.079 nan 8.280 nan 0.000 0.468 40 D N 3.270 123.200 120.400 -0.783 0.000 2.375 40 D HA 0.373 5.011 4.640 -0.003 0.000 0.241 40 D C 0.113 175.904 176.300 -0.849 0.000 1.361 40 D CA 0.185 53.806 54.000 -0.632 0.000 0.995 40 D CB 1.396 42.024 40.800 -0.287 0.000 1.312 40 D HN 0.762 nan 8.370 nan 0.000 0.576 41 A N 2.304 124.608 122.820 -0.860 0.000 1.940 41 A HA -0.159 4.159 4.320 -0.003 0.000 0.219 41 A C 1.909 179.369 177.584 -0.207 0.000 1.176 41 A CA 2.372 54.140 52.037 -0.448 0.000 0.631 41 A CB -0.662 18.256 19.000 -0.136 0.000 0.814 41 A HN 0.610 nan 8.150 nan 0.000 0.446 42 T N -5.546 108.900 114.554 -0.181 0.000 3.055 42 T HA 0.012 4.360 4.350 -0.003 0.000 0.265 42 T C 0.912 175.550 174.700 -0.104 0.000 1.111 42 T CA 0.642 62.677 62.100 -0.108 0.000 1.118 42 T CB -1.154 67.663 68.868 -0.085 0.000 0.909 42 T HN 1.158 nan 8.240 nan 0.000 0.501 43 c N 2.432 120.945 118.600 -0.145 0.000 4.056 43 c HA -0.203 4.365 4.570 -0.003 0.000 0.302 43 c C 1.803 175.836 174.090 -0.095 0.000 1.356 43 c CA 0.660 56.917 56.329 -0.120 0.000 2.074 43 c CB -2.709 39.755 42.510 -0.076 0.000 1.328 43 c HN 0.886 nan 8.230 nan 0.000 0.684 44 S N -0.915 114.728 115.700 -0.096 0.000 2.499 44 S HA 0.087 4.555 4.470 -0.003 0.000 0.225 44 S C 0.519 175.075 174.600 -0.074 0.000 1.050 44 S CA 0.727 58.883 58.200 -0.073 0.000 0.928 44 S CB -0.168 62.996 63.200 -0.061 0.000 0.803 44 S HN 0.817 nan 8.310 nan 0.000 0.506 45 N N 2.187 120.834 118.700 -0.088 0.000 2.602 45 N HA 0.204 4.943 4.740 -0.003 0.000 0.238 45 N C 0.217 175.651 175.510 -0.126 0.000 1.084 45 N CA -0.501 52.500 53.050 -0.081 0.000 0.952 45 N CB 0.369 38.818 38.487 -0.064 0.000 1.244 45 N HN 0.095 nan 8.380 nan 0.000 0.512 46 L N 2.281 123.424 121.223 -0.133 0.000 2.642 46 L HA -0.002 4.336 4.340 -0.003 0.000 0.236 46 L C 1.702 178.349 176.870 -0.373 0.000 1.169 46 L CA 0.916 55.621 54.840 -0.224 0.000 0.851 46 L CB -0.663 41.310 42.059 -0.143 0.000 0.968 46 L HN 0.452 nan 8.230 nan 0.000 0.453 47 K N -0.741 119.527 120.400 -0.220 0.000 2.367 47 K HA 0.273 4.592 4.320 -0.003 0.000 0.194 47 K C 0.676 177.190 176.600 -0.142 0.000 1.027 47 K CA 0.103 56.317 56.287 -0.121 0.000 1.075 47 K CB 0.709 33.249 32.500 0.067 0.000 0.845 47 K HN 0.263 nan 8.250 nan 0.000 0.529 48 L N -0.272 120.830 121.223 -0.203 0.000 2.376 48 L HA 0.352 4.690 4.340 -0.003 0.000 0.267 48 L C 0.104 176.879 176.870 -0.158 0.000 1.035 48 L CA -1.307 53.478 54.840 -0.091 0.000 0.800 48 L CB 0.195 42.238 42.059 -0.027 0.000 1.290 48 L HN -0.124 nan 8.230 nan 0.000 0.462 49 Y N -0.964 119.324 120.300 -0.021 0.000 2.425 49 Y HA 0.006 4.555 4.550 -0.003 0.000 0.331 49 Y C 0.841 176.762 175.900 0.034 0.000 1.157 49 Y CA 0.032 58.156 58.100 0.041 0.000 1.372 49 Y CB 0.886 39.358 38.460 0.020 0.000 1.253 49 Y HN 0.514 nan 8.280 nan 0.000 0.536 50 c N 1.104 119.836 118.600 0.220 0.000 3.070 50 c HA 0.323 4.891 4.570 -0.003 0.000 0.280 50 c C 1.701 175.966 174.090 0.291 0.000 1.264 50 c CA 0.441 56.844 56.329 0.124 0.000 1.690 50 c CB -0.523 42.015 42.510 0.047 0.000 2.049 50 c HN 1.228 nan 8.230 nan 0.000 0.636 51 G N 0.517 109.551 108.800 0.390 0.000 2.232 51 G HA2 -0.095 3.864 3.960 -0.003 0.000 0.226 51 G HA3 -0.095 3.864 3.960 -0.003 0.000 0.226 51 G C 0.458 175.509 174.900 0.253 0.000 0.996 51 G CA -0.018 45.276 45.100 0.322 0.000 0.626 51 G HN 0.816 nan 8.290 nan 0.000 0.509 52 G N 0.840 109.796 108.800 0.260 0.000 2.391 52 G HA2 0.491 4.450 3.960 -0.003 0.000 0.234 52 G HA3 0.491 4.450 3.960 -0.003 0.000 0.234 52 G C 0.076 175.113 174.900 0.228 0.000 1.284 52 G CA 1.252 46.490 45.100 0.231 0.000 0.873 52 G HN 1.174 nan 8.290 nan 0.000 0.549 53 D N -0.449 120.056 120.400 0.176 0.000 2.752 53 D HA 0.262 4.900 4.640 -0.003 0.000 0.313 53 D C 0.462 176.855 176.300 0.155 0.000 1.225 53 D CA -0.912 53.147 54.000 0.099 0.000 0.976 53 D CB 0.232 41.098 40.800 0.110 0.000 1.443 53 D HN 0.304 nan 8.370 nan 0.000 0.515 54 W N -0.556 120.852 121.300 0.180 0.000 2.425 54 W HA 0.010 4.669 4.660 -0.003 0.000 0.277 54 W C 2.010 178.607 176.519 0.130 0.000 1.231 54 W CA 0.737 58.168 57.345 0.143 0.000 1.248 54 W CB -0.825 28.746 29.460 0.185 0.000 1.117 54 W HN 0.540 nan 8.180 nan 0.000 0.568 55 Q N 0.417 120.408 119.800 0.318 0.000 2.119 55 Q HA -0.056 4.283 4.340 -0.003 0.000 0.201 55 Q C 2.387 178.499 176.000 0.187 0.000 0.972 55 Q CA 2.297 58.230 55.803 0.216 0.000 0.847 55 Q CB -0.938 27.895 28.738 0.158 0.000 0.903 55 Q HN 0.153 nan 8.270 nan 0.000 0.433 56 G N 0.309 109.234 108.800 0.208 0.000 2.418 56 G HA2 -0.203 3.755 3.960 -0.003 0.000 0.217 56 G HA3 -0.203 3.755 3.960 -0.003 0.000 0.217 56 G C 1.329 176.400 174.900 0.285 0.000 1.158 56 G CA 0.864 46.087 45.100 0.206 0.000 0.771 56 G HN 0.386 nan 8.290 nan 0.000 0.545 57 L N 0.076 121.508 121.223 0.348 0.000 2.046 57 L HA -0.008 4.330 4.340 -0.003 0.000 0.208 57 L C 2.854 179.902 176.870 0.296 0.000 1.077 57 L CA 0.625 55.688 54.840 0.373 0.000 0.747 57 L CB -0.356 41.868 42.059 0.275 0.000 0.896 57 L HN 0.201 nan 8.230 nan 0.000 0.432 58 I N -0.003 120.694 120.570 0.211 0.000 2.163 58 I HA -0.305 3.863 4.170 -0.003 0.000 0.243 58 I C 2.226 178.411 176.117 0.113 0.000 1.085 58 I CA 1.173 62.559 61.300 0.143 0.000 1.347 58 I CB -0.470 37.601 38.000 0.118 0.000 1.044 58 I HN 0.350 nan 8.210 nan 0.000 0.408 59 N N 1.076 119.830 118.700 0.089 0.000 2.104 59 N HA -0.170 4.568 4.740 -0.003 0.000 0.190 59 N C 1.690 177.184 175.510 -0.027 0.000 1.024 59 N CA 1.219 54.280 53.050 0.018 0.000 0.853 59 N CB -0.291 38.184 38.487 -0.020 0.000 1.008 59 N HN 0.233 nan 8.380 nan 0.000 0.424 60 K N 0.673 121.059 120.400 -0.023 0.000 2.365 60 K HA 0.122 4.441 4.320 -0.003 0.000 0.199 60 K C 1.993 178.556 176.600 -0.061 0.000 1.045 60 K CA 0.212 56.409 56.287 -0.151 0.000 0.962 60 K CB -0.131 32.214 32.500 -0.258 0.000 0.759 60 K HN 0.337 nan 8.250 nan 0.000 0.469 61 I N 1.101 121.754 120.570 0.139 0.000 2.277 61 I HA -0.199 3.970 4.170 -0.003 0.000 0.243 61 I C 1.590 177.770 176.117 0.106 0.000 1.094 61 I CA 0.715 62.151 61.300 0.225 0.000 1.393 61 I CB -0.191 37.950 38.000 0.234 0.000 1.078 61 I HN 0.098 nan 8.210 nan 0.000 0.417 62 N N 1.267 120.007 118.700 0.066 0.000 2.244 62 N HA -0.162 4.576 4.740 -0.003 0.000 0.183 62 N C 0.940 176.462 175.510 0.019 0.000 1.016 62 N CA 1.432 54.505 53.050 0.038 0.000 0.866 62 N CB -0.428 38.076 38.487 0.028 0.000 0.980 62 N HN 0.496 nan 8.380 nan 0.000 0.430 63 D N -0.218 120.181 120.400 -0.002 0.000 2.370 63 D HA 0.031 4.670 4.640 -0.003 0.000 0.230 63 D C -0.294 176.015 176.300 0.015 0.000 1.143 63 D CA -0.276 53.717 54.000 -0.011 0.000 0.834 63 D CB -0.766 40.004 40.800 -0.050 0.000 0.944 63 D HN -0.065 nan 8.370 nan 0.000 0.504 64 N N -0.310 118.410 118.700 0.034 0.000 2.725 64 N HA -0.300 4.439 4.740 -0.003 0.000 0.249 64 N C -0.010 175.539 175.510 0.065 0.000 1.103 64 N CA 0.627 53.709 53.050 0.053 0.000 0.707 64 N CB -1.580 36.933 38.487 0.043 0.000 1.043 64 N HN 0.458 nan 8.380 nan 0.000 0.553 65 Y N 0.220 120.453 120.300 -0.112 0.000 2.163 65 Y HA -0.084 4.464 4.550 -0.003 0.000 0.288 65 Y C 1.896 177.755 175.900 -0.069 0.000 1.136 65 Y CA 1.733 59.759 58.100 -0.123 0.000 1.147 65 Y CB -0.326 37.936 38.460 -0.330 0.000 0.987 65 Y HN 0.096 nan 8.280 nan 0.000 0.509 66 F N -0.541 119.445 119.950 0.060 0.000 2.206 66 F HA -0.123 4.402 4.527 -0.003 0.000 0.298 66 F C 2.649 178.370 175.800 -0.132 0.000 1.090 66 F CA 1.420 59.350 58.000 -0.118 0.000 1.323 66 F CB -1.160 37.806 39.000 -0.057 0.000 1.028 66 F HN -0.058 nan 8.300 nan 0.000 0.492 67 S N -0.288 115.479 115.700 0.112 0.000 2.368 67 S HA -0.155 4.313 4.470 -0.003 0.000 0.224 67 S C 1.613 176.218 174.600 0.007 0.000 1.029 67 S CA 1.344 59.572 58.200 0.048 0.000 0.988 67 S CB -0.285 62.947 63.200 0.052 0.000 0.838 67 S HN 0.301 nan 8.310 nan 0.000 0.462 68 D N 1.104 121.517 120.400 0.021 0.000 2.178 68 D HA -0.013 4.625 4.640 -0.003 0.000 0.202 68 D C 1.798 178.101 176.300 0.006 0.000 0.974 68 D CA 0.426 54.469 54.000 0.072 0.000 0.841 68 D CB -0.300 40.592 40.800 0.154 0.000 0.953 68 D HN 0.206 nan 8.370 nan 0.000 0.478 69 L N -0.219 120.866 121.223 -0.231 0.000 2.156 69 L HA 0.092 4.431 4.340 -0.003 0.000 0.208 69 L C 1.611 178.247 176.870 -0.391 0.000 1.095 69 L CA 2.021 56.423 54.840 -0.730 0.000 0.770 69 L CB -0.296 41.270 42.059 -0.821 0.000 0.914 69 L HN 0.250 nan 8.230 nan 0.000 0.439 70 G N -1.461 107.224 108.800 -0.192 0.000 2.179 70 G HA2 -0.201 3.758 3.960 -0.003 0.000 0.220 70 G HA3 -0.201 3.758 3.960 -0.003 0.000 0.220 70 G C 0.334 175.178 174.900 -0.093 0.000 0.990 70 G CA 0.166 45.191 45.100 -0.126 0.000 0.646 70 G HN 0.773 nan 8.290 nan 0.000 0.517 71 V N 0.325 120.189 119.914 -0.082 0.000 2.637 71 V HA 0.683 4.801 4.120 -0.003 0.000 0.296 71 V C 1.180 177.245 176.094 -0.050 0.000 1.046 71 V CA 1.096 63.370 62.300 -0.044 0.000 1.066 71 V CB 1.176 32.985 31.823 -0.023 0.000 0.968 71 V HN 1.002 nan 8.190 nan 0.000 0.483 72 T N 0.207 114.730 114.554 -0.051 0.000 3.129 72 T HA 0.729 5.077 4.350 -0.003 0.000 0.267 72 T C 0.234 174.896 174.700 -0.064 0.000 1.018 72 T CA 0.324 62.381 62.100 -0.073 0.000 0.903 72 T CB 0.031 68.830 68.868 -0.114 0.000 1.067 72 T HN 1.792 nan 8.240 nan 0.000 0.549 73 A N 1.056 123.871 122.820 -0.008 0.000 2.577 73 A HA 0.701 5.020 4.320 -0.003 0.000 0.297 73 A C -1.662 175.978 177.584 0.093 0.000 1.060 73 A CA -0.887 51.198 52.037 0.080 0.000 0.697 73 A CB 1.103 20.245 19.000 0.236 0.000 1.281 73 A HN 0.375 nan 8.150 nan 0.000 0.402 74 L N 1.754 123.031 121.223 0.091 0.000 2.325 74 L HA 0.485 4.824 4.340 -0.003 0.000 0.281 74 L C -1.101 175.918 176.870 0.247 0.000 1.004 74 L CA -0.418 54.464 54.840 0.069 0.000 0.823 74 L CB 1.752 43.733 42.059 -0.129 0.000 1.236 74 L HN 0.836 nan 8.230 nan 0.000 0.415 75 W N 7.410 128.762 121.300 0.085 0.000 2.278 75 W HA 0.560 5.218 4.660 -0.003 0.000 0.317 75 W C -0.675 175.869 176.519 0.043 0.000 1.030 75 W CA -1.625 55.783 57.345 0.106 0.000 1.334 75 W CB 0.503 30.069 29.460 0.177 0.000 1.215 75 W HN 0.360 nan 8.180 nan 0.000 0.405 76 I N 2.390 123.130 120.570 0.283 0.000 2.793 76 I HA 0.620 4.789 4.170 -0.003 0.000 0.313 76 I C 0.593 176.717 176.117 0.011 0.000 0.998 76 I CA -0.857 60.473 61.300 0.051 0.000 1.140 76 I CB 1.330 39.376 38.000 0.077 0.000 1.327 76 I HN 0.137 nan 8.210 nan 0.000 0.491 77 S N 1.468 117.039 115.700 -0.215 0.000 2.572 77 S HA -0.037 4.431 4.470 -0.003 0.000 0.267 77 S C 0.019 174.550 174.600 -0.115 0.000 1.361 77 S CA -0.374 57.623 58.200 -0.340 0.000 1.009 77 S CB 0.233 63.110 63.200 -0.538 0.000 0.888 77 S HN 0.715 nan 8.310 nan 0.000 0.553 78 Q N 2.468 122.165 119.800 -0.172 0.000 2.247 78 Q HA 0.022 4.361 4.340 -0.003 0.000 0.288 78 Q C -1.469 174.560 176.000 0.048 0.000 1.079 78 Q CA -1.251 54.507 55.803 -0.075 0.000 0.932 78 Q CB 0.598 29.249 28.738 -0.145 0.000 1.133 78 Q HN 0.334 nan 8.270 nan 0.000 0.377 79 P HA -0.059 nan 4.420 nan 0.000 0.236 79 P C 0.433 177.771 177.300 0.064 0.000 1.177 79 P CA 0.352 63.554 63.100 0.170 0.000 0.773 79 P CB -0.088 31.427 31.700 -0.309 0.000 0.878 80 V N -1.390 118.445 119.914 -0.132 0.000 3.051 80 V HA 0.194 4.312 4.120 -0.003 0.000 0.306 80 V C 0.470 176.519 176.094 -0.076 0.000 1.083 80 V CA -0.922 61.365 62.300 -0.020 0.000 1.104 80 V CB 0.031 31.772 31.823 -0.137 0.000 1.027 80 V HN -0.011 nan 8.190 nan 0.000 0.483 81 E N 2.989 123.150 120.200 -0.065 0.000 2.417 81 E HA 0.099 4.448 4.350 -0.003 0.000 0.261 81 E C -0.049 176.391 176.600 -0.267 0.000 1.000 81 E CA 0.030 56.322 56.400 -0.180 0.000 0.919 81 E CB 0.211 29.815 29.700 -0.161 0.000 0.955 81 E HN 0.879 nan 8.360 nan 0.000 0.455 82 N N 3.190 121.715 118.700 -0.291 0.000 2.502 82 N HA 0.292 5.030 4.740 -0.003 0.000 0.280 82 N C 0.193 175.497 175.510 -0.344 0.000 1.223 82 N CA -0.716 52.207 53.050 -0.212 0.000 0.966 82 N CB 0.870 39.299 38.487 -0.097 0.000 1.203 82 N HN 0.475 nan 8.380 nan 0.000 0.565 83 I N -1.373 119.108 120.570 -0.148 0.000 2.836 83 I HA 0.037 4.206 4.170 -0.003 0.000 0.285 83 I C 0.153 176.195 176.117 -0.126 0.000 1.174 83 I CA -0.060 61.125 61.300 -0.192 0.000 1.405 83 I CB 0.234 38.218 38.000 -0.028 0.000 1.385 83 I HN 0.435 nan 8.210 nan 0.000 0.594 84 F N 3.174 123.160 119.950 0.060 0.000 2.530 84 F HA 0.368 4.893 4.527 -0.003 0.000 0.292 84 F C 1.836 177.685 175.800 0.083 0.000 1.109 84 F CA 0.112 58.164 58.000 0.086 0.000 1.450 84 F CB -0.732 38.282 39.000 0.025 0.000 1.114 84 F HN 0.620 nan 8.300 nan 0.000 0.560 85 A N 0.340 123.276 122.820 0.193 0.000 2.507 85 A HA 0.306 4.624 4.320 -0.003 0.000 0.235 85 A C 0.551 178.185 177.584 0.083 0.000 1.070 85 A CA 0.350 52.438 52.037 0.085 0.000 0.768 85 A CB -0.234 18.751 19.000 -0.025 0.000 1.011 85 A HN 0.142 nan 8.150 nan 0.000 0.502 86 T N 1.539 116.120 114.554 0.044 0.000 2.867 86 T HA 0.573 4.922 4.350 -0.003 0.000 0.282 86 T C -0.175 174.485 174.700 -0.066 0.000 1.000 86 T CA 0.007 62.140 62.100 0.054 0.000 1.042 86 T CB 0.118 69.025 68.868 0.065 0.000 0.973 86 T HN 0.401 nan 8.240 nan 0.000 0.465 87 I N 3.589 124.114 120.570 -0.074 0.000 2.474 87 I HA 0.393 4.562 4.170 -0.003 0.000 0.294 87 I C 0.232 176.230 176.117 -0.199 0.000 1.005 87 I CA -0.853 60.273 61.300 -0.290 0.000 1.113 87 I CB 1.764 39.442 38.000 -0.536 0.000 1.289 87 I HN 0.429 nan 8.210 nan 0.000 0.436 88 N N 5.443 124.008 118.700 -0.225 0.000 2.501 88 N HA 0.257 4.995 4.740 -0.003 0.000 0.245 88 N C -1.722 173.717 175.510 -0.119 0.000 0.974 88 N CA -0.388 52.606 53.050 -0.092 0.000 0.941 88 N CB 0.792 39.265 38.487 -0.024 0.000 1.122 88 N HN 0.393 nan 8.380 nan 0.000 0.507 89 Y N 1.733 122.100 120.300 0.113 0.000 2.504 89 Y HA 0.146 4.694 4.550 -0.003 0.000 0.339 89 Y C 0.761 176.697 175.900 0.060 0.000 0.974 89 Y CA -0.545 57.613 58.100 0.096 0.000 1.232 89 Y CB 0.792 39.313 38.460 0.101 0.000 1.108 89 Y HN 0.457 nan 8.280 nan 0.000 0.509 90 S N 2.420 118.227 115.700 0.178 0.000 3.628 90 S HA -0.185 4.284 4.470 -0.003 0.000 0.373 90 S C 1.370 176.020 174.600 0.084 0.000 0.968 90 S CA 1.062 59.326 58.200 0.106 0.000 1.215 90 S CB -1.455 61.800 63.200 0.092 0.000 0.912 90 S HN 1.476 nan 8.310 nan 0.000 0.495 91 G N -1.437 107.406 108.800 0.072 0.000 2.363 91 G HA2 -0.296 3.662 3.960 -0.003 0.000 0.238 91 G HA3 -0.296 3.662 3.960 -0.003 0.000 0.238 91 G C 0.334 175.273 174.900 0.065 0.000 1.062 91 G CA 0.159 45.292 45.100 0.056 0.000 0.629 91 G HN 1.650 nan 8.290 nan 0.000 0.514 92 V N 2.847 122.817 119.914 0.093 0.000 2.498 92 V HA 0.633 4.751 4.120 -0.003 0.000 0.279 92 V C 0.624 176.794 176.094 0.126 0.000 1.048 92 V CA 0.580 62.941 62.300 0.101 0.000 0.967 92 V CB 1.290 33.177 31.823 0.107 0.000 0.988 92 V HN 0.407 nan 8.190 nan 0.000 0.473 93 T N 7.582 122.196 114.554 0.100 0.000 2.814 93 T HA 0.290 4.638 4.350 -0.003 0.000 0.297 93 T C -0.081 174.718 174.700 0.166 0.000 0.956 93 T CA -0.028 62.136 62.100 0.106 0.000 1.123 93 T CB -0.146 68.766 68.868 0.074 0.000 0.902 93 T HN 0.791 nan 8.240 nan 0.000 0.528 94 N N 1.914 120.751 118.700 0.229 0.000 2.314 94 N HA 0.531 5.269 4.740 -0.003 0.000 0.304 94 N C -0.187 175.545 175.510 0.371 0.000 1.073 94 N CA -0.518 52.750 53.050 0.364 0.000 0.822 94 N CB 2.314 41.180 38.487 0.631 0.000 1.280 94 N HN 0.686 nan 8.380 nan 0.000 0.489 95 T N -2.677 112.073 114.554 0.328 0.000 2.888 95 T HA 0.591 4.939 4.350 -0.003 0.000 0.288 95 T C 0.207 174.864 174.700 -0.071 0.000 1.063 95 T CA -0.804 61.446 62.100 0.249 0.000 1.010 95 T CB 1.644 70.611 68.868 0.165 0.000 1.214 95 T HN 0.347 nan 8.240 nan 0.000 0.533 96 A N 0.589 123.317 122.820 -0.153 0.000 2.734 96 A HA 0.330 4.648 4.320 -0.003 0.000 0.279 96 A C 1.175 178.150 177.584 -1.014 0.000 1.386 96 A CA -0.454 51.146 52.037 -0.728 0.000 0.987 96 A CB -1.569 17.398 19.000 -0.056 0.000 1.041 96 A HN 0.947 nan 8.150 nan 0.000 0.569 97 Y N -0.080 119.516 120.300 -1.174 0.000 2.315 97 Y HA -0.328 4.220 4.550 -0.003 0.000 0.288 97 Y C 1.994 177.618 175.900 -0.460 0.000 1.154 97 Y CA 1.708 59.172 58.100 -1.060 0.000 1.229 97 Y CB -1.059 36.909 38.460 -0.821 0.000 0.980 97 Y HN 0.723 nan 8.280 nan 0.000 0.540 98 H N -1.219 117.115 119.070 -1.227 0.000 2.524 98 H HA 0.241 4.796 4.556 -0.003 0.000 0.282 98 H C 1.956 176.753 175.328 -0.885 0.000 1.016 98 H CA 0.603 56.052 56.048 -0.997 0.000 1.270 98 H CB -0.386 28.869 29.762 -0.846 0.000 1.394 98 H HN 0.518 nan 8.280 nan 0.000 0.568 99 G N 0.833 109.295 108.800 -0.563 0.000 2.179 99 G HA2 -0.339 3.620 3.960 -0.003 0.000 0.260 99 G HA3 -0.339 3.620 3.960 -0.003 0.000 0.260 99 G C 0.261 174.986 174.900 -0.292 0.000 0.977 99 G CA 0.453 45.349 45.100 -0.340 0.000 0.641 99 G HN 0.510 nan 8.290 nan 0.000 0.533 100 Y N -1.190 119.178 120.300 0.114 0.000 2.490 100 Y HA 0.328 4.876 4.550 -0.003 0.000 0.281 100 Y C 1.090 177.193 175.900 0.337 0.000 1.174 100 Y CA -0.331 57.844 58.100 0.126 0.000 1.295 100 Y CB 0.239 38.680 38.460 -0.032 0.000 1.062 100 Y HN 0.405 nan 8.280 nan 0.000 0.522 101 W N 1.397 122.857 121.300 0.267 0.000 1.906 101 W HA 0.670 5.329 4.660 -0.002 0.000 0.311 101 W C 0.214 176.732 176.519 -0.002 0.000 0.785 101 W CA -2.033 55.410 57.345 0.163 0.000 1.899 101 W CB -0.771 28.774 29.460 0.142 0.000 2.111 101 W HN -0.172 nan 8.180 nan 0.000 0.352 102 A N 1.868 124.765 122.820 0.128 0.000 2.425 102 A HA 0.416 4.734 4.320 -0.003 0.000 0.242 102 A C 1.416 178.944 177.584 -0.094 0.000 1.077 102 A CA 0.238 52.157 52.037 -0.197 0.000 0.781 102 A CB 0.552 19.098 19.000 -0.757 0.000 1.020 102 A HN 0.643 nan 8.150 nan 0.000 0.494 103 R N -0.291 120.123 120.500 -0.144 0.000 2.576 103 R HA 0.229 4.567 4.340 -0.003 0.000 0.237 103 R C -0.943 175.448 176.300 0.153 0.000 0.917 103 R CA 0.251 56.381 56.100 0.049 0.000 1.002 103 R CB 0.716 31.029 30.300 0.022 0.000 1.428 103 R HN 0.527 nan 8.270 nan 0.000 0.603 104 D N 0.104 120.508 120.400 0.007 0.000 2.478 104 D HA 0.186 4.825 4.640 -0.003 0.000 0.240 104 D C -0.670 175.715 176.300 0.142 0.000 1.364 104 D CA -0.611 53.499 54.000 0.183 0.000 0.987 104 D CB 1.017 41.898 40.800 0.135 0.000 1.328 104 D HN 0.040 nan 8.370 nan 0.000 0.584 105 F N 1.771 121.924 119.950 0.339 0.000 2.802 105 F HA 0.159 4.684 4.527 -0.003 0.000 0.300 105 F C 2.032 178.096 175.800 0.440 0.000 1.168 105 F CA 0.504 58.720 58.000 0.361 0.000 1.433 105 F CB 0.343 39.554 39.000 0.353 0.000 1.115 105 F HN 0.115 nan 8.300 nan 0.000 0.582 106 K N -0.290 120.346 120.400 0.392 0.000 2.358 106 K HA 0.167 4.485 4.320 -0.003 0.000 0.200 106 K C 0.222 176.894 176.600 0.120 0.000 1.030 106 K CA 0.150 56.550 56.287 0.188 0.000 1.097 106 K CB 0.568 33.098 32.500 0.049 0.000 0.862 106 K HN 0.098 nan 8.250 nan 0.000 0.534 107 K N 0.934 121.468 120.400 0.223 0.000 2.395 107 K HA 0.212 4.530 4.320 -0.003 0.000 0.247 107 K C -0.216 176.563 176.600 0.298 0.000 0.973 107 K CA -0.610 55.776 56.287 0.165 0.000 0.828 107 K CB 2.078 34.630 32.500 0.087 0.000 1.272 107 K HN -0.027 nan 8.250 nan 0.000 0.439 108 T N -1.338 113.388 114.554 0.287 0.000 2.816 108 T HA 0.162 4.511 4.350 -0.003 0.000 0.282 108 T C 0.279 175.054 174.700 0.125 0.000 0.993 108 T CA -0.766 61.566 62.100 0.388 0.000 0.994 108 T CB 0.705 69.893 68.868 0.534 0.000 1.025 108 T HN 0.404 nan 8.240 nan 0.000 0.529 109 N N 2.482 121.201 118.700 0.032 0.000 2.401 109 N HA 0.198 4.936 4.740 -0.003 0.000 0.255 109 N C -1.234 174.065 175.510 -0.351 0.000 1.110 109 N CA -2.382 50.511 53.050 -0.262 0.000 0.949 109 N CB 1.118 39.292 38.487 -0.522 0.000 1.110 109 N HN 0.408 nan 8.380 nan 0.000 0.490 110 P HA -0.170 nan 4.420 nan 0.000 0.218 110 P C 0.590 177.648 177.300 -0.404 0.000 1.146 110 P CA 1.359 64.235 63.100 -0.373 0.000 0.813 110 P CB 0.061 31.494 31.700 -0.445 0.000 0.778 111 Y N -1.722 118.372 120.300 -0.344 0.000 2.439 111 Y HA -0.024 4.524 4.550 -0.003 0.000 0.292 111 Y C 2.276 178.036 175.900 -0.233 0.000 1.130 111 Y CA 0.480 58.359 58.100 -0.368 0.000 1.254 111 Y CB -1.214 36.910 38.460 -0.560 0.000 1.000 111 Y HN -0.116 nan 8.280 nan 0.000 0.554 112 F N -1.029 118.719 119.950 -0.337 0.000 2.446 112 F HA 0.462 4.987 4.527 -0.003 0.000 0.292 112 F C 1.439 176.691 175.800 -0.913 0.000 1.096 112 F CA 0.448 57.971 58.000 -0.795 0.000 1.438 112 F CB -0.427 37.762 39.000 -1.351 0.000 1.107 112 F HN -0.057 nan 8.300 nan 0.000 0.546 113 G N -0.798 107.716 108.800 -0.477 0.000 2.341 113 G HA2 0.342 4.301 3.960 -0.003 0.000 0.293 113 G HA3 0.342 4.301 3.960 -0.003 0.000 0.293 113 G C -0.770 174.216 174.900 0.144 0.000 1.298 113 G CA -0.447 44.621 45.100 -0.054 0.000 0.868 113 G HN 0.187 nan 8.290 nan 0.000 0.540 114 T N -2.158 112.570 114.554 0.289 0.000 2.862 114 T HA 0.482 4.831 4.350 -0.003 0.000 0.276 114 T C 1.632 176.582 174.700 0.418 0.000 0.974 114 T CA 0.385 62.645 62.100 0.267 0.000 0.966 114 T CB 1.341 70.309 68.868 0.167 0.000 1.072 114 T HN 0.656 nan 8.240 nan 0.000 0.538 115 M N 1.002 120.772 119.600 0.284 0.000 2.202 115 M HA 0.060 4.539 4.480 -0.003 0.000 0.262 115 M C 2.241 178.699 176.300 0.264 0.000 1.063 115 M CA 1.949 57.401 55.300 0.255 0.000 1.097 115 M CB -1.302 31.366 32.600 0.112 0.000 1.382 115 M HN 0.884 nan 8.290 nan 0.000 0.413 116 A N -0.689 122.258 122.820 0.211 0.000 1.929 116 A HA -0.132 4.186 4.320 -0.003 0.000 0.216 116 A C 1.897 179.603 177.584 0.203 0.000 1.176 116 A CA 1.834 53.972 52.037 0.168 0.000 0.628 116 A CB -0.834 18.239 19.000 0.122 0.000 0.816 116 A HN 0.497 nan 8.150 nan 0.000 0.444 117 D N -1.023 119.556 120.400 0.299 0.000 2.117 117 D HA -0.126 4.513 4.640 -0.003 0.000 0.197 117 D C 1.588 178.086 176.300 0.331 0.000 0.987 117 D CA 1.091 55.303 54.000 0.354 0.000 0.829 117 D CB -0.379 40.725 40.800 0.507 0.000 0.961 117 D HN 0.440 nan 8.370 nan 0.000 0.460 118 F N 1.739 121.801 119.950 0.188 0.000 2.102 118 F HA -0.166 4.360 4.527 -0.002 0.000 0.298 118 F C 2.410 178.135 175.800 -0.125 0.000 1.105 118 F CA 1.452 59.321 58.000 -0.219 0.000 1.239 118 F CB -0.182 38.656 39.000 -0.270 0.000 0.991 118 F HN -0.087 nan 8.300 nan 0.000 0.474 119 Q N -0.275 119.556 119.800 0.052 0.000 2.170 119 Q HA -0.254 4.084 4.340 -0.003 0.000 0.203 119 Q C 2.103 178.036 176.000 -0.112 0.000 0.976 119 Q CA 1.639 57.417 55.803 -0.041 0.000 0.858 119 Q CB -0.582 28.188 28.738 0.054 0.000 0.907 119 Q HN 0.609 nan 8.270 nan 0.000 0.433 120 N N 0.425 119.096 118.700 -0.048 0.000 2.188 120 N HA -0.122 4.617 4.740 -0.003 0.000 0.184 120 N C 1.886 177.332 175.510 -0.107 0.000 1.018 120 N CA 0.258 53.286 53.050 -0.037 0.000 0.858 120 N CB 0.098 38.609 38.487 0.040 0.000 0.989 120 N HN 0.223 nan 8.380 nan 0.000 0.426 121 L N 1.062 122.168 121.223 -0.195 0.000 2.027 121 L HA -0.152 4.187 4.340 -0.003 0.000 0.206 121 L C 2.114 178.755 176.870 -0.382 0.000 1.074 121 L CA 1.015 55.691 54.840 -0.274 0.000 0.745 121 L CB -0.336 41.450 42.059 -0.455 0.000 0.898 121 L HN 0.222 nan 8.230 nan 0.000 0.433 122 I N -0.052 120.190 120.570 -0.546 0.000 2.163 122 I HA -0.285 3.883 4.170 -0.003 0.000 0.243 122 I C 2.555 178.342 176.117 -0.550 0.000 1.085 122 I CA 1.722 62.646 61.300 -0.627 0.000 1.347 122 I CB -1.709 35.965 38.000 -0.544 0.000 1.044 122 I HN 0.289 nan 8.210 nan 0.000 0.408 123 T N 0.562 114.942 114.554 -0.289 0.000 2.674 123 T HA -0.157 4.192 4.350 -0.003 0.000 0.265 123 T C 1.908 176.551 174.700 -0.095 0.000 1.039 123 T CA 2.179 64.196 62.100 -0.139 0.000 1.150 123 T CB -0.455 68.373 68.868 -0.066 0.000 0.864 123 T HN 0.342 nan 8.240 nan 0.000 0.427 124 T N 1.929 116.428 114.554 -0.092 0.000 2.746 124 T HA -0.031 4.318 4.350 -0.003 0.000 0.267 124 T C 2.361 177.041 174.700 -0.032 0.000 1.039 124 T CA 1.169 63.246 62.100 -0.038 0.000 1.142 124 T CB -0.526 68.332 68.868 -0.016 0.000 0.866 124 T HN 0.433 nan 8.240 nan 0.000 0.444 125 A N 1.188 123.950 122.820 -0.098 0.000 1.855 125 A HA -0.140 4.178 4.320 -0.003 0.000 0.215 125 A C 1.925 179.528 177.584 0.032 0.000 1.191 125 A CA 1.584 53.583 52.037 -0.062 0.000 0.613 125 A CB -1.005 17.905 19.000 -0.149 0.000 0.829 125 A HN 0.697 nan 8.150 nan 0.000 0.442 126 H N -0.766 118.278 119.070 -0.044 0.000 2.456 126 H HA -0.003 4.552 4.556 -0.003 0.000 0.296 126 H C 2.396 177.707 175.328 -0.029 0.000 1.079 126 H CA 0.496 56.520 56.048 -0.040 0.000 1.322 126 H CB 0.044 29.782 29.762 -0.039 0.000 1.388 126 H HN 0.575 nan 8.280 nan 0.000 0.538 127 A N 1.114 123.992 122.820 0.096 0.000 1.930 127 A HA -0.112 4.206 4.320 -0.003 0.000 0.217 127 A C 1.886 179.493 177.584 0.038 0.000 1.175 127 A CA 1.142 53.210 52.037 0.052 0.000 0.627 127 A CB 0.060 19.080 19.000 0.033 0.000 0.815 127 A HN 0.106 nan 8.150 nan 0.000 0.443 128 K N -0.882 119.543 120.400 0.042 0.000 2.437 128 K HA 0.191 4.509 4.320 -0.003 0.000 0.198 128 K C 0.869 177.484 176.600 0.025 0.000 1.024 128 K CA 0.584 56.893 56.287 0.036 0.000 1.148 128 K CB -0.272 32.260 32.500 0.054 0.000 0.860 128 K HN 0.732 nan 8.250 nan 0.000 0.515 129 G N 1.904 110.717 108.800 0.022 0.000 2.198 129 G HA2 -0.253 3.706 3.960 -0.003 0.000 0.257 129 G HA3 -0.253 3.706 3.960 -0.003 0.000 0.257 129 G C -0.012 174.878 174.900 -0.016 0.000 1.042 129 G CA -0.031 45.063 45.100 -0.010 0.000 0.791 129 G HN 0.312 nan 8.290 nan 0.000 0.502 130 I N 0.098 120.683 120.570 0.025 0.000 2.406 130 I HA 0.357 4.525 4.170 -0.003 0.000 0.290 130 I C 0.553 176.714 176.117 0.074 0.000 0.999 130 I CA -0.891 60.415 61.300 0.009 0.000 1.124 130 I CB 1.580 39.575 38.000 -0.009 0.000 1.289 130 I HN -0.034 nan 8.210 nan 0.000 0.441 131 K N 5.778 126.198 120.400 0.034 0.000 2.126 131 K HA 0.554 4.872 4.320 -0.003 0.000 0.257 131 K C -0.766 175.934 176.600 0.167 0.000 1.007 131 K CA -0.628 55.730 56.287 0.118 0.000 0.928 131 K CB 1.415 33.900 32.500 -0.026 0.000 1.013 131 K HN 0.359 nan 8.250 nan 0.000 0.473 132 I N 2.693 123.392 120.570 0.214 0.000 2.389 132 I HA 0.223 4.392 4.170 -0.003 0.000 0.288 132 I C -0.484 175.778 176.117 0.242 0.000 0.999 132 I CA -0.721 60.668 61.300 0.148 0.000 1.129 132 I CB 1.478 39.465 38.000 -0.023 0.000 1.288 132 I HN 0.267 nan 8.210 nan 0.000 0.444 133 V N 7.223 127.292 119.914 0.259 0.000 2.513 133 V HA 0.537 4.655 4.120 -0.003 0.000 0.299 133 V C 0.152 176.370 176.094 0.208 0.000 1.035 133 V CA -0.679 61.750 62.300 0.215 0.000 0.889 133 V CB 2.296 34.238 31.823 0.198 0.000 0.988 133 V HN 0.615 nan 8.190 nan 0.000 0.440 134 I N -0.126 120.523 120.570 0.131 0.000 2.693 134 I HA 0.700 4.868 4.170 -0.003 0.000 0.303 134 I C -0.552 175.634 176.117 0.115 0.000 1.025 134 I CA -0.687 60.705 61.300 0.153 0.000 1.086 134 I CB 1.893 39.955 38.000 0.102 0.000 1.268 134 I HN 0.325 nan 8.210 nan 0.000 0.440 135 D N 3.407 123.924 120.400 0.196 0.000 2.302 135 D HA 0.426 5.064 4.640 -0.003 0.000 0.248 135 D C -1.558 174.895 176.300 0.254 0.000 1.094 135 D CA 0.400 54.533 54.000 0.222 0.000 0.897 135 D CB 1.341 42.271 40.800 0.217 0.000 1.200 135 D HN 0.449 nan 8.370 nan 0.000 0.429 136 F N 1.245 121.249 119.950 0.091 0.000 2.585 136 F HA 0.491 5.016 4.527 -0.003 0.000 0.319 136 F C -0.840 175.064 175.800 0.173 0.000 1.165 136 F CA -0.866 57.225 58.000 0.151 0.000 0.949 136 F CB 1.692 40.799 39.000 0.178 0.000 1.218 136 F HN 0.292 nan 8.300 nan 0.000 0.453 137 A N 7.477 130.276 122.820 -0.035 0.000 2.786 137 A HA 0.499 4.817 4.320 -0.003 0.000 0.346 137 A C -2.348 175.132 177.584 -0.174 0.000 1.265 137 A CA -1.180 50.846 52.037 -0.019 0.000 0.858 137 A CB -0.092 18.966 19.000 0.095 0.000 1.118 137 A HN 0.462 nan 8.150 nan 0.000 0.482 138 P HA -0.013 nan 4.420 nan 0.000 0.253 138 P C 0.600 177.614 177.300 -0.476 0.000 1.260 138 P CA 0.434 62.992 63.100 -0.904 0.000 0.800 138 P CB 0.235 31.167 31.700 -1.280 0.000 1.162 139 N N 0.759 119.340 118.700 -0.198 0.000 2.250 139 N HA -0.092 4.646 4.740 -0.003 0.000 0.181 139 N C 0.849 176.488 175.510 0.215 0.000 1.017 139 N CA 0.687 53.765 53.050 0.048 0.000 0.866 139 N CB 0.015 38.563 38.487 0.100 0.000 0.985 139 N HN 0.280 nan 8.380 nan 0.000 0.429 140 H N -4.581 114.668 119.070 0.298 0.000 2.933 140 H HA 0.308 4.862 4.556 -0.003 0.000 0.310 140 H C -0.107 175.352 175.328 0.219 0.000 1.351 140 H CA -0.120 55.985 56.048 0.095 0.000 1.137 140 H CB 0.786 30.555 29.762 0.012 0.000 1.853 140 H HN 0.045 nan 8.280 nan 0.000 0.539 141 T N -0.736 113.906 114.554 0.147 0.000 3.610 141 T HA 0.335 4.683 4.350 -0.003 0.000 0.209 141 T C 0.645 175.495 174.700 0.250 0.000 0.889 141 T CA 0.747 62.977 62.100 0.217 0.000 1.469 141 T CB -0.527 68.373 68.868 0.054 0.000 1.557 141 T HN 0.812 nan 8.240 nan 0.000 0.431 142 S N 0.704 116.402 115.700 -0.004 0.000 2.705 142 S HA 0.678 5.146 4.470 -0.003 0.000 0.280 142 S C -3.330 171.047 174.600 -0.371 0.000 1.174 142 S CA -1.627 56.470 58.200 -0.173 0.000 0.823 142 S CB 1.071 64.172 63.200 -0.166 0.000 1.162 142 S HN 0.225 nan 8.310 nan 0.000 0.487 143 P HA 0.468 nan 4.420 nan 0.000 0.265 143 P C -1.021 176.153 177.300 -0.209 0.000 1.193 143 P CA 0.341 63.233 63.100 -0.348 0.000 0.765 143 P CB 0.429 31.886 31.700 -0.405 0.000 0.823 144 A N 3.410 126.171 122.820 -0.099 0.000 2.606 144 A HA 0.788 5.106 4.320 -0.003 0.000 0.293 144 A C -1.347 176.217 177.584 -0.034 0.000 1.082 144 A CA -0.552 51.450 52.037 -0.058 0.000 0.685 144 A CB 1.308 20.087 19.000 -0.368 0.000 1.284 144 A HN 0.435 nan 8.150 nan 0.000 0.408 145 M N 1.167 120.818 119.600 0.085 0.000 2.259 145 M HA 0.290 4.769 4.480 -0.003 0.000 0.304 145 M C 0.697 177.084 176.300 0.146 0.000 1.019 145 M CA -0.297 55.014 55.300 0.019 0.000 0.922 145 M CB 2.166 34.686 32.600 -0.133 0.000 1.600 145 M HN 1.054 nan 8.290 nan 0.000 0.433 146 E N 0.743 121.070 120.200 0.210 0.000 2.150 146 E HA -0.142 4.206 4.350 -0.003 0.000 0.193 146 E C 1.370 177.994 176.600 0.040 0.000 0.985 146 E CA 1.871 58.365 56.400 0.156 0.000 0.814 146 E CB 0.429 30.188 29.700 0.099 0.000 0.752 146 E HN 0.846 nan 8.360 nan 0.000 0.466 147 T N -2.151 112.413 114.554 0.017 0.000 3.088 147 T HA -0.030 4.319 4.350 -0.003 0.000 0.259 147 T C 0.291 174.988 174.700 -0.005 0.000 1.122 147 T CA 0.365 62.459 62.100 -0.010 0.000 1.095 147 T CB 0.230 69.083 68.868 -0.025 0.000 0.930 147 T HN -0.080 nan 8.240 nan 0.000 0.508 148 D N 1.554 121.960 120.400 0.010 0.000 2.402 148 D HA 0.267 4.905 4.640 -0.003 0.000 0.252 148 D C 1.131 177.472 176.300 0.068 0.000 1.294 148 D CA -0.275 53.740 54.000 0.026 0.000 0.948 148 D CB 1.595 42.399 40.800 0.008 0.000 1.202 148 D HN 0.132 nan 8.370 nan 0.000 0.561 149 T N -0.536 114.048 114.554 0.051 0.000 3.113 149 T HA -0.100 4.248 4.350 -0.003 0.000 0.263 149 T C 1.575 176.307 174.700 0.054 0.000 1.143 149 T CA 1.030 63.161 62.100 0.052 0.000 1.090 149 T CB -0.129 68.758 68.868 0.032 0.000 0.922 149 T HN 0.218 nan 8.240 nan 0.000 0.521 150 S N 0.000 115.738 115.700 0.063 0.000 2.528 150 S HA 0.215 4.684 4.470 -0.003 0.000 0.219 150 S C 0.268 174.910 174.600 0.069 0.000 0.985 150 S CA -0.838 57.393 58.200 0.051 0.000 0.914 150 S CB -0.796 62.429 63.200 0.042 0.000 0.776 150 S HN 0.488 nan 8.310 nan 0.000 0.526 151 F N 3.643 123.556 119.950 -0.061 0.000 2.467 151 F HA 0.558 5.083 4.527 -0.003 0.000 0.362 151 F C 0.989 176.720 175.800 -0.116 0.000 1.090 151 F CA -0.231 57.711 58.000 -0.097 0.000 1.202 151 F CB 0.154 39.090 39.000 -0.107 0.000 1.113 151 F HN 0.485 nan 8.300 nan 0.000 0.541 152 A N 4.855 127.213 122.820 -0.769 0.000 5.391 152 A HA -0.351 3.968 4.320 -0.003 0.000 0.315 152 A C 0.932 178.347 177.584 -0.282 0.000 1.874 152 A CA 1.583 53.235 52.037 -0.642 0.000 0.714 152 A CB -1.483 16.980 19.000 -0.894 0.000 1.335 152 A HN 0.809 nan 8.150 nan 0.000 0.382 153 E N 0.802 120.867 120.200 -0.224 0.000 2.789 153 E HA 0.267 4.616 4.350 -0.003 0.000 0.208 153 E C 0.337 176.897 176.600 -0.067 0.000 0.988 153 E CA 0.382 56.728 56.400 -0.090 0.000 1.092 153 E CB -0.005 29.671 29.700 -0.040 0.000 1.066 153 E HN 0.660 nan 8.360 nan 0.000 0.465 154 N N 0.711 119.361 118.700 -0.084 0.000 2.693 154 N HA -0.248 4.490 4.740 -0.003 0.000 0.249 154 N C 0.698 176.134 175.510 -0.123 0.000 1.119 154 N CA 0.439 53.462 53.050 -0.045 0.000 0.717 154 N CB -0.716 37.775 38.487 0.007 0.000 1.071 154 N HN 0.565 nan 8.380 nan 0.000 0.555 155 G N 0.162 108.847 108.800 -0.192 0.000 2.258 155 G HA2 -0.360 3.598 3.960 -0.003 0.000 0.274 155 G HA3 -0.360 3.598 3.960 -0.003 0.000 0.274 155 G C 0.186 174.980 174.900 -0.176 0.000 1.021 155 G CA 0.794 45.730 45.100 -0.275 0.000 0.798 155 G HN 0.633 nan 8.290 nan 0.000 0.507 156 R N -1.039 119.427 120.500 -0.056 0.000 2.623 156 R HA 0.394 4.732 4.340 -0.003 0.000 0.271 156 R C 0.250 176.570 176.300 0.034 0.000 1.043 156 R CA -0.242 55.847 56.100 -0.018 0.000 1.083 156 R CB 0.574 30.840 30.300 -0.057 0.000 0.974 156 R HN 0.302 nan 8.270 nan 0.000 0.436 157 L N 3.397 124.610 121.223 -0.016 0.000 2.329 157 L HA 0.420 4.759 4.340 -0.003 0.000 0.279 157 L C -1.546 175.175 176.870 -0.250 0.000 1.014 157 L CA -0.466 54.387 54.840 0.022 0.000 0.814 157 L CB 1.181 43.282 42.059 0.071 0.000 1.257 157 L HN 0.411 nan 8.230 nan 0.000 0.424 158 Y N 1.972 122.307 120.300 0.057 0.000 2.485 158 Y HA 0.449 4.997 4.550 -0.003 0.000 0.345 158 Y C -0.545 175.450 175.900 0.160 0.000 0.998 158 Y CA -0.677 57.464 58.100 0.070 0.000 1.059 158 Y CB 1.805 40.303 38.460 0.063 0.000 1.234 158 Y HN 0.528 nan 8.280 nan 0.000 0.461 159 D N 2.722 123.301 120.400 0.300 0.000 2.477 159 D HA 0.118 4.756 4.640 -0.003 0.000 0.239 159 D C -0.237 176.194 176.300 0.218 0.000 1.102 159 D CA -0.193 54.006 54.000 0.332 0.000 0.901 159 D CB -0.140 40.809 40.800 0.248 0.000 1.026 159 D HN 0.640 nan 8.370 nan 0.000 0.515 160 N N 3.133 121.952 118.700 0.199 0.000 2.727 160 N HA -0.257 4.481 4.740 -0.003 0.000 0.249 160 N C 0.949 176.525 175.510 0.109 0.000 1.048 160 N CA 1.936 55.056 53.050 0.117 0.000 0.714 160 N CB -1.041 37.483 38.487 0.063 0.000 0.959 160 N HN 0.758 nan 8.380 nan 0.000 0.544 161 G N -3.005 105.882 108.800 0.147 0.000 2.313 161 G HA2 -0.252 3.706 3.960 -0.003 0.000 0.215 161 G HA3 -0.252 3.706 3.960 -0.003 0.000 0.215 161 G C 0.237 175.287 174.900 0.250 0.000 1.023 161 G CA 0.225 45.396 45.100 0.119 0.000 0.626 161 G HN 0.683 nan 8.290 nan 0.000 0.503 162 T N 2.567 117.260 114.554 0.230 0.000 2.832 162 T HA 0.515 4.863 4.350 -0.003 0.000 0.296 162 T C 0.192 175.013 174.700 0.201 0.000 0.968 162 T CA -0.120 62.100 62.100 0.199 0.000 1.107 162 T CB 1.946 70.883 68.868 0.115 0.000 0.916 162 T HN 0.653 nan 8.240 nan 0.000 0.517 163 L N 5.566 126.859 121.223 0.116 0.000 2.410 163 L HA 0.183 4.521 4.340 -0.003 0.000 0.273 163 L C 0.892 177.677 176.870 -0.141 0.000 1.144 163 L CA 0.499 55.218 54.840 -0.202 0.000 0.863 163 L CB 0.411 42.370 42.059 -0.168 0.000 1.140 163 L HN 0.548 nan 8.230 nan 0.000 0.463 164 V N 4.222 123.998 119.914 -0.229 0.000 2.436 164 V HA 0.543 4.661 4.120 -0.003 0.000 0.240 164 V C 1.036 177.102 176.094 -0.047 0.000 1.040 164 V CA 0.866 63.051 62.300 -0.192 0.000 1.052 164 V CB -0.433 31.144 31.823 -0.410 0.000 0.707 164 V HN 1.003 nan 8.190 nan 0.000 0.469 165 G N -1.742 107.030 108.800 -0.047 0.000 2.338 165 G HA2 0.532 4.491 3.960 -0.003 0.000 0.295 165 G HA3 0.532 4.491 3.960 -0.003 0.000 0.295 165 G C -0.841 174.183 174.900 0.205 0.000 1.461 165 G CA -0.047 45.149 45.100 0.160 0.000 0.817 165 G HN 0.511 nan 8.290 nan 0.000 0.556 166 G N -1.697 107.231 108.800 0.214 0.000 2.788 166 G HA2 0.497 4.455 3.960 -0.003 0.000 0.293 166 G HA3 0.497 4.455 3.960 -0.003 0.000 0.293 166 G C 0.213 175.201 174.900 0.147 0.000 1.305 166 G CA -0.374 44.807 45.100 0.134 0.000 1.005 166 G HN 0.624 nan 8.290 nan 0.000 0.496 167 Y N 0.181 120.335 120.300 -0.243 0.000 2.314 167 Y HA 0.098 4.647 4.550 -0.003 0.000 0.293 167 Y C 1.800 177.718 175.900 0.030 0.000 1.129 167 Y CA 1.206 59.151 58.100 -0.258 0.000 1.201 167 Y CB -0.028 38.196 38.460 -0.393 0.000 0.999 167 Y HN 0.306 nan 8.280 nan 0.000 0.541 168 T N 2.196 116.760 114.554 0.017 0.000 2.889 168 T HA 0.099 4.448 4.350 -0.003 0.000 0.291 168 T C -0.198 174.469 174.700 -0.054 0.000 0.995 168 T CA -0.362 61.709 62.100 -0.048 0.000 1.092 168 T CB 0.427 69.291 68.868 -0.005 0.000 0.954 168 T HN 0.273 nan 8.240 nan 0.000 0.506 169 N N 1.797 120.431 118.700 -0.111 0.000 2.725 169 N HA -0.156 4.582 4.740 -0.003 0.000 0.251 169 N C -0.728 174.732 175.510 -0.082 0.000 1.031 169 N CA 0.519 53.508 53.050 -0.102 0.000 0.720 169 N CB -0.924 37.528 38.487 -0.057 0.000 0.930 169 N HN 0.740 nan 8.380 nan 0.000 0.543 170 D N 0.056 120.385 120.400 -0.118 0.000 2.631 170 D HA 0.175 4.813 4.640 -0.003 0.000 0.227 170 D C 1.469 177.678 176.300 -0.152 0.000 1.146 170 D CA 0.126 54.106 54.000 -0.034 0.000 1.009 170 D CB 0.118 41.036 40.800 0.197 0.000 1.057 170 D HN 0.352 nan 8.370 nan 0.000 0.509 171 T N -0.538 113.920 114.554 -0.161 0.000 2.915 171 T HA -0.146 4.203 4.350 -0.003 0.000 0.269 171 T C 1.408 175.973 174.700 -0.224 0.000 1.071 171 T CA 0.629 62.624 62.100 -0.174 0.000 1.132 171 T CB -0.074 68.716 68.868 -0.131 0.000 0.878 171 T HN 0.213 nan 8.240 nan 0.000 0.479 172 N N 1.663 120.146 118.700 -0.362 0.000 2.494 172 N HA 0.104 4.843 4.740 -0.003 0.000 0.182 172 N C 1.448 176.666 175.510 -0.487 0.000 1.076 172 N CA 0.840 53.565 53.050 -0.542 0.000 0.908 172 N CB -0.202 37.621 38.487 -1.107 0.000 0.967 172 N HN 0.716 nan 8.380 nan 0.000 0.449 173 G N 1.121 109.727 108.800 -0.324 0.000 2.272 173 G HA2 -0.285 3.673 3.960 -0.003 0.000 0.280 173 G HA3 -0.285 3.673 3.960 -0.003 0.000 0.280 173 G C 0.210 175.036 174.900 -0.123 0.000 1.067 173 G CA 0.010 45.035 45.100 -0.124 0.000 0.902 173 G HN 0.303 nan 8.290 nan 0.000 0.500 174 Y N -1.196 119.034 120.300 -0.117 0.000 2.439 174 Y HA 0.360 4.909 4.550 -0.002 0.000 0.292 174 Y C 1.498 177.027 175.900 -0.619 0.000 1.130 174 Y CA 0.347 58.210 58.100 -0.396 0.000 1.254 174 Y CB -0.092 38.032 38.460 -0.560 0.000 1.000 174 Y HN 0.395 nan 8.280 nan 0.000 0.554 175 F N -2.366 117.617 119.950 0.055 0.000 2.631 175 F HA 0.422 4.947 4.527 -0.003 0.000 0.328 175 F C -0.065 175.582 175.800 -0.255 0.000 1.067 175 F CA -1.688 56.229 58.000 -0.138 0.000 0.969 175 F CB 0.845 39.804 39.000 -0.069 0.000 1.332 175 F HN -0.275 nan 8.300 nan 0.000 0.490 176 H N 0.344 119.439 119.070 0.041 0.000 2.548 176 H HA 0.282 4.837 4.556 -0.003 0.000 0.331 176 H C -0.500 174.684 175.328 -0.240 0.000 1.093 176 H CA -0.302 55.725 56.048 -0.035 0.000 1.367 176 H CB 0.639 30.426 29.762 0.042 0.000 1.455 176 H HN 0.461 nan 8.280 nan 0.000 0.519 177 H N 3.030 122.206 119.070 0.177 0.000 2.500 177 H HA 0.119 4.673 4.556 -0.002 0.000 0.243 177 H C -0.200 175.143 175.328 0.024 0.000 1.318 177 H CA -0.124 55.956 56.048 0.053 0.000 1.077 177 H CB -0.046 29.656 29.762 -0.100 0.000 1.748 177 H HN 0.727 nan 8.280 nan 0.000 0.556 178 N N 0.360 119.107 118.700 0.079 0.000 2.238 178 N HA 0.246 4.985 4.740 -0.003 0.000 0.222 178 N C 0.954 176.450 175.510 -0.023 0.000 1.133 178 N CA 0.251 53.300 53.050 -0.001 0.000 0.854 178 N CB 1.564 40.012 38.487 -0.064 0.000 1.041 178 N HN 0.507 nan 8.380 nan 0.000 0.510 179 G N 0.034 108.841 108.800 0.011 0.000 2.632 179 G HA2 -0.121 3.838 3.960 -0.003 0.000 0.224 179 G HA3 -0.121 3.838 3.960 -0.003 0.000 0.224 179 G C -0.087 174.767 174.900 -0.076 0.000 1.341 179 G CA -0.626 44.460 45.100 -0.023 0.000 0.880 179 G HN 0.358 nan 8.290 nan 0.000 0.566 180 G N -0.807 107.926 108.800 -0.112 0.000 2.389 180 G HA2 0.674 4.632 3.960 -0.003 0.000 0.328 180 G HA3 0.674 4.632 3.960 -0.003 0.000 0.328 180 G C 0.300 175.042 174.900 -0.263 0.000 1.133 180 G CA 1.191 46.182 45.100 -0.183 0.000 0.891 180 G HN 1.682 nan 8.290 nan 0.000 0.485 181 S N -0.476 114.966 115.700 -0.429 0.000 2.576 181 S HA 0.189 4.658 4.470 -0.003 0.000 0.276 181 S C 0.804 174.994 174.600 -0.684 0.000 1.339 181 S CA 0.067 57.902 58.200 -0.608 0.000 1.039 181 S CB 0.900 63.562 63.200 -0.897 0.000 0.902 181 S HN 0.658 nan 8.310 nan 0.000 0.516 182 D N 1.961 122.070 120.400 -0.485 0.000 2.431 182 D HA 0.128 4.766 4.640 -0.003 0.000 0.213 182 D C 0.190 176.442 176.300 -0.081 0.000 1.130 182 D CA -0.309 53.550 54.000 -0.234 0.000 0.834 182 D CB -0.719 40.022 40.800 -0.099 0.000 0.985 182 D HN 0.502 nan 8.370 nan 0.000 0.504 183 F N 0.510 120.410 119.950 -0.083 0.000 3.084 183 F HA -0.299 4.226 4.527 -0.002 0.000 0.286 183 F C 1.761 177.537 175.800 -0.040 0.000 0.855 183 F CA 0.705 58.667 58.000 -0.063 0.000 1.091 183 F CB -2.651 36.313 39.000 -0.060 0.000 1.177 183 F HN 0.199 nan 8.300 nan 0.000 0.542 184 S N -1.619 114.104 115.700 0.039 0.000 2.461 184 S HA 0.223 4.691 4.470 -0.003 0.000 0.228 184 S C 0.813 175.429 174.600 0.026 0.000 1.005 184 S CA 0.629 58.848 58.200 0.032 0.000 0.942 184 S CB 0.227 63.424 63.200 -0.004 0.000 0.776 184 S HN 0.831 nan 8.310 nan 0.000 0.514 185 S N -0.713 114.991 115.700 0.006 0.000 2.615 185 S HA 0.578 5.046 4.470 -0.003 0.000 0.269 185 S C 0.111 174.702 174.600 -0.015 0.000 1.161 185 S CA -0.635 57.571 58.200 0.009 0.000 0.817 185 S CB 0.963 64.156 63.200 -0.012 0.000 1.131 185 S HN 0.108 nan 8.310 nan 0.000 0.467 186 L N 1.468 122.702 121.223 0.018 0.000 2.017 186 L HA 0.070 4.409 4.340 -0.003 0.000 0.208 186 L C 2.570 179.340 176.870 -0.167 0.000 1.073 186 L CA 2.507 57.345 54.840 -0.004 0.000 0.745 186 L CB -0.814 41.347 42.059 0.171 0.000 0.894 186 L HN 1.020 nan 8.230 nan 0.000 0.432 187 E N -0.693 119.312 120.200 -0.325 0.000 2.085 187 E HA -0.317 4.031 4.350 -0.003 0.000 0.194 187 E C 2.018 178.436 176.600 -0.304 0.000 0.994 187 E CA 1.550 57.538 56.400 -0.688 0.000 0.801 187 E CB -0.201 28.968 29.700 -0.886 0.000 0.743 187 E HN 0.667 nan 8.360 nan 0.000 0.453 188 N N -0.609 117.967 118.700 -0.207 0.000 2.166 188 N HA -0.110 4.629 4.740 -0.003 0.000 0.186 188 N C 1.740 177.120 175.510 -0.217 0.000 1.019 188 N CA 1.588 54.532 53.050 -0.177 0.000 0.856 188 N CB -0.283 38.109 38.487 -0.159 0.000 0.993 188 N HN 0.186 nan 8.380 nan 0.000 0.426 189 G N -0.715 107.970 108.800 -0.192 0.000 2.744 189 G HA2 0.017 3.976 3.960 -0.003 0.000 0.211 189 G HA3 0.017 3.976 3.960 -0.003 0.000 0.211 189 G C 1.297 176.156 174.900 -0.068 0.000 1.143 189 G CA 0.167 45.193 45.100 -0.123 0.000 0.788 189 G HN 0.322 nan 8.290 nan 0.000 0.534 190 I N -1.369 119.052 120.570 -0.249 0.000 2.628 190 I HA 0.101 4.269 4.170 -0.003 0.000 0.255 190 I C 1.334 177.123 176.117 -0.546 0.000 1.119 190 I CA 0.510 61.558 61.300 -0.419 0.000 1.448 190 I CB 0.247 37.848 38.000 -0.665 0.000 1.133 190 I HN 0.086 nan 8.210 nan 0.000 0.438 191 Y N 1.101 121.275 120.300 -0.210 0.000 2.485 191 Y HA 0.304 4.853 4.550 -0.003 0.000 0.260 191 Y C 0.592 176.245 175.900 -0.412 0.000 1.173 191 Y CA -0.199 57.640 58.100 -0.436 0.000 1.252 191 Y CB 0.021 38.219 38.460 -0.436 0.000 1.123 191 Y HN -0.086 nan 8.280 nan 0.000 0.524 192 K N 0.178 120.481 120.400 -0.162 0.000 2.350 192 K HA 0.312 4.630 4.320 -0.003 0.000 0.241 192 K C -0.659 175.842 176.600 -0.166 0.000 0.994 192 K CA -1.220 54.974 56.287 -0.155 0.000 0.839 192 K CB 0.966 33.344 32.500 -0.202 0.000 1.244 192 K HN -0.128 nan 8.250 nan 0.000 0.443 193 N N 1.351 119.953 118.700 -0.163 0.000 2.492 193 N HA 0.013 4.752 4.740 -0.003 0.000 0.260 193 N C -0.701 174.608 175.510 -0.334 0.000 1.215 193 N CA -0.169 52.757 53.050 -0.206 0.000 0.923 193 N CB 0.269 38.638 38.487 -0.196 0.000 1.092 193 N HN 0.287 nan 8.380 nan 0.000 0.448 194 L N 5.434 126.441 121.223 -0.360 0.000 2.356 194 L HA 0.162 4.501 4.340 -0.003 0.000 0.282 194 L C -0.553 176.053 176.870 -0.440 0.000 1.132 194 L CA 0.406 54.913 54.840 -0.555 0.000 0.923 194 L CB -1.384 40.371 42.059 -0.507 0.000 1.278 194 L HN 0.469 nan 8.230 nan 0.000 0.436 195 Y N 0.948 121.152 120.300 -0.159 0.000 2.877 195 Y HA -0.399 4.150 4.550 -0.003 0.000 0.467 195 Y C 1.337 177.142 175.900 -0.159 0.000 1.186 195 Y CA 1.077 59.100 58.100 -0.128 0.000 2.562 195 Y CB -1.380 37.010 38.460 -0.117 0.000 1.217 195 Y HN 0.711 nan 8.280 nan 0.000 0.628 196 D N 0.943 121.371 120.400 0.047 0.000 2.431 196 D HA 0.238 4.877 4.640 -0.003 0.000 0.213 196 D C -0.115 176.067 176.300 -0.196 0.000 1.130 196 D CA 0.083 54.038 54.000 -0.075 0.000 0.834 196 D CB -0.491 40.312 40.800 0.006 0.000 0.985 196 D HN 0.406 nan 8.370 nan 0.000 0.504 197 L N 1.369 122.468 121.223 -0.208 0.000 2.418 197 L HA 0.335 4.673 4.340 -0.003 0.000 0.274 197 L C 0.716 177.368 176.870 -0.363 0.000 1.135 197 L CA -0.737 53.922 54.840 -0.300 0.000 0.870 197 L CB 0.652 42.470 42.059 -0.402 0.000 1.154 197 L HN 0.022 nan 8.230 nan 0.000 0.462 198 A N 3.108 125.630 122.820 -0.498 0.000 2.505 198 A HA 0.022 4.341 4.320 -0.003 0.000 0.271 198 A C -0.025 177.380 177.584 -0.299 0.000 1.112 198 A CA -0.238 51.372 52.037 -0.712 0.000 0.781 198 A CB -0.308 18.047 19.000 -1.074 0.000 1.059 198 A HN 0.736 nan 8.150 nan 0.000 0.508 199 D N 2.118 122.438 120.400 -0.133 0.000 2.348 199 D HA 0.402 5.041 4.640 -0.003 0.000 0.253 199 D C -0.360 175.983 176.300 0.073 0.000 1.161 199 D CA 0.221 54.245 54.000 0.041 0.000 0.876 199 D CB 0.117 40.992 40.800 0.125 0.000 1.160 199 D HN 0.324 nan 8.370 nan 0.000 0.459 200 F N 2.600 122.527 119.950 -0.039 0.000 2.459 200 F HA 0.157 4.683 4.527 -0.003 0.000 0.346 200 F C 1.148 176.478 175.800 -0.783 0.000 1.128 200 F CA -0.336 57.398 58.000 -0.443 0.000 1.268 200 F CB 0.440 39.007 39.000 -0.722 0.000 1.161 200 F HN 0.290 nan 8.300 nan 0.000 0.583 201 N N 1.778 120.145 118.700 -0.555 0.000 2.699 201 N HA 0.120 4.858 4.740 -0.003 0.000 0.232 201 N C 0.104 175.346 175.510 -0.447 0.000 1.027 201 N CA -0.267 52.396 53.050 -0.646 0.000 0.920 201 N CB -0.156 38.060 38.487 -0.452 0.000 1.148 201 N HN 0.478 nan 8.380 nan 0.000 0.509 202 H N 0.697 119.553 119.070 -0.357 0.000 2.563 202 H HA 0.037 4.591 4.556 -0.003 0.000 0.272 202 H C 1.517 176.704 175.328 -0.236 0.000 1.005 202 H CA 0.556 56.265 56.048 -0.564 0.000 1.171 202 H CB 0.221 29.171 29.762 -1.354 0.000 1.351 202 H HN 0.591 nan 8.280 nan 0.000 0.602 203 N N 1.010 119.727 118.700 0.029 0.000 2.457 203 N HA -0.118 4.620 4.740 -0.003 0.000 0.180 203 N C 0.116 175.675 175.510 0.081 0.000 1.050 203 N CA -0.030 53.091 53.050 0.118 0.000 0.906 203 N CB 0.084 38.662 38.487 0.151 0.000 0.968 203 N HN 0.319 nan 8.380 nan 0.000 0.445 204 N N 0.059 118.772 118.700 0.021 0.000 2.475 204 N HA 0.115 4.853 4.740 -0.003 0.000 0.267 204 N C 0.961 176.514 175.510 0.072 0.000 1.169 204 N CA 0.025 53.100 53.050 0.041 0.000 0.947 204 N CB 1.190 39.702 38.487 0.043 0.000 1.061 204 N HN 0.115 nan 8.380 nan 0.000 0.466 205 A N 2.790 125.667 122.820 0.095 0.000 1.978 205 A HA -0.168 4.150 4.320 -0.003 0.000 0.220 205 A C 2.006 179.650 177.584 0.100 0.000 1.170 205 A CA 1.886 53.989 52.037 0.111 0.000 0.636 205 A CB -0.816 18.245 19.000 0.100 0.000 0.810 205 A HN 0.775 nan 8.150 nan 0.000 0.448 206 T N 0.310 114.917 114.554 0.089 0.000 2.777 206 T HA -0.072 4.277 4.350 -0.003 0.000 0.266 206 T C 1.747 176.418 174.700 -0.049 0.000 1.040 206 T CA 1.349 63.472 62.100 0.040 0.000 1.141 206 T CB -0.235 68.677 68.868 0.073 0.000 0.868 206 T HN 0.329 nan 8.240 nan 0.000 0.444 207 I N 1.727 122.233 120.570 -0.107 0.000 2.315 207 I HA -0.079 4.089 4.170 -0.003 0.000 0.248 207 I C 2.317 178.446 176.117 0.020 0.000 1.117 207 I CA 1.203 62.361 61.300 -0.238 0.000 1.404 207 I CB -1.257 36.525 38.000 -0.364 0.000 1.071 207 I HN 0.281 nan 8.210 nan 0.000 0.419 208 D N 1.106 121.593 120.400 0.146 0.000 2.084 208 D HA -0.267 4.372 4.640 -0.003 0.000 0.194 208 D C 2.216 178.731 176.300 0.359 0.000 0.990 208 D CA 1.600 55.844 54.000 0.406 0.000 0.826 208 D CB 0.136 41.178 40.800 0.404 0.000 0.971 208 D HN 0.069 nan 8.370 nan 0.000 0.453 209 K N -0.912 119.613 120.400 0.209 0.000 2.032 209 K HA -0.229 4.090 4.320 -0.003 0.000 0.209 209 K C 2.168 178.836 176.600 0.114 0.000 1.048 209 K CA 1.359 57.735 56.287 0.149 0.000 0.927 209 K CB -0.836 31.721 32.500 0.096 0.000 0.712 209 K HN 0.321 nan 8.250 nan 0.000 0.441 210 Y N -0.171 120.072 120.300 -0.095 0.000 2.114 210 Y HA -0.262 4.286 4.550 -0.002 0.000 0.282 210 Y C 1.586 177.332 175.900 -0.257 0.000 1.165 210 Y CA 2.197 60.140 58.100 -0.262 0.000 1.148 210 Y CB -0.296 37.846 38.460 -0.532 0.000 0.972 210 Y HN 0.092 nan 8.280 nan 0.000 0.504 211 F N 0.179 120.215 119.950 0.144 0.000 2.325 211 F HA -0.059 4.466 4.527 -0.003 0.000 0.299 211 F C 2.180 178.208 175.800 0.380 0.000 1.090 211 F CA 1.328 59.434 58.000 0.176 0.000 1.392 211 F CB -0.385 38.673 39.000 0.097 0.000 1.053 211 F HN -0.041 nan 8.300 nan 0.000 0.521 212 K N -0.116 120.564 120.400 0.467 0.000 2.062 212 K HA -0.125 4.193 4.320 -0.003 0.000 0.205 212 K C 1.589 178.248 176.600 0.099 0.000 1.051 212 K CA 1.428 57.910 56.287 0.325 0.000 0.941 212 K CB -0.190 32.437 32.500 0.213 0.000 0.719 212 K HN 0.076 nan 8.250 nan 0.000 0.440 213 D N 0.708 121.119 120.400 0.019 0.000 2.117 213 D HA -0.090 4.549 4.640 -0.003 0.000 0.198 213 D C 1.814 178.055 176.300 -0.098 0.000 0.982 213 D CA 1.157 55.107 54.000 -0.083 0.000 0.828 213 D CB -0.134 40.594 40.800 -0.121 0.000 0.967 213 D HN 0.175 nan 8.370 nan 0.000 0.464 214 A N 0.582 123.339 122.820 -0.105 0.000 1.930 214 A HA -0.134 4.185 4.320 -0.003 0.000 0.217 214 A C 2.180 179.930 177.584 0.276 0.000 1.175 214 A CA 0.830 52.885 52.037 0.030 0.000 0.627 214 A CB -0.526 18.458 19.000 -0.026 0.000 0.815 214 A HN 0.208 nan 8.150 nan 0.000 0.443 215 I N -0.342 120.370 120.570 0.236 0.000 2.439 215 I HA -0.118 4.050 4.170 -0.003 0.000 0.251 215 I C 2.050 178.170 176.117 0.006 0.000 1.139 215 I CA 1.400 62.737 61.300 0.062 0.000 1.438 215 I CB -0.279 37.684 38.000 -0.062 0.000 1.085 215 I HN 0.219 nan 8.210 nan 0.000 0.427 216 K N -0.305 120.045 120.400 -0.084 0.000 2.097 216 K HA -0.197 4.122 4.320 -0.003 0.000 0.206 216 K C 2.022 178.567 176.600 -0.091 0.000 1.049 216 K CA 1.514 57.683 56.287 -0.196 0.000 0.933 216 K CB -0.411 31.851 32.500 -0.396 0.000 0.717 216 K HN 0.268 nan 8.250 nan 0.000 0.442 217 L N 0.112 121.263 121.223 -0.120 0.000 1.989 217 L HA -0.170 4.169 4.340 -0.003 0.000 0.211 217 L C 1.717 178.426 176.870 -0.267 0.000 1.071 217 L CA 1.836 56.527 54.840 -0.248 0.000 0.749 217 L CB -0.488 41.318 42.059 -0.422 0.000 0.890 217 L HN 0.233 nan 8.230 nan 0.000 0.431 218 W N -0.744 120.569 121.300 0.022 0.000 2.436 218 W HA -0.050 4.609 4.660 -0.003 0.000 0.284 218 W C 2.369 178.941 176.519 0.087 0.000 1.225 218 W CA 0.645 58.020 57.345 0.051 0.000 1.271 218 W CB -0.422 29.056 29.460 0.030 0.000 1.114 218 W HN 0.087 nan 8.180 nan 0.000 0.559 219 L N -0.033 121.323 121.223 0.222 0.000 2.046 219 L HA -0.208 4.130 4.340 -0.003 0.000 0.208 219 L C 1.886 178.861 176.870 0.175 0.000 1.077 219 L CA 1.185 56.135 54.840 0.183 0.000 0.747 219 L CB -0.753 41.399 42.059 0.155 0.000 0.896 219 L HN -0.106 nan 8.230 nan 0.000 0.432 220 D N -0.315 120.173 120.400 0.147 0.000 2.263 220 D HA -0.140 4.498 4.640 -0.003 0.000 0.208 220 D C 2.120 178.479 176.300 0.097 0.000 0.971 220 D CA 1.078 55.148 54.000 0.116 0.000 0.867 220 D CB 0.030 40.878 40.800 0.080 0.000 0.929 220 D HN 0.335 nan 8.370 nan 0.000 0.492 221 M N -1.142 118.536 119.600 0.130 0.000 2.561 221 M HA 0.139 4.618 4.480 -0.003 0.000 0.238 221 M C 1.063 177.470 176.300 0.178 0.000 1.131 221 M CA 0.582 55.982 55.300 0.166 0.000 1.046 221 M CB 0.689 33.449 32.600 0.267 0.000 1.532 221 M HN 0.109 nan 8.290 nan 0.000 0.497 222 G N 1.260 110.173 108.800 0.188 0.000 2.148 222 G HA2 -0.185 3.773 3.960 -0.003 0.000 0.203 222 G HA3 -0.185 3.773 3.960 -0.003 0.000 0.203 222 G C 0.103 175.148 174.900 0.241 0.000 0.993 222 G CA 0.047 45.267 45.100 0.201 0.000 0.661 222 G HN 0.455 nan 8.290 nan 0.000 0.518 223 V N -1.546 118.524 119.914 0.260 0.000 2.763 223 V HA 0.453 4.572 4.120 -0.003 0.000 0.306 223 V C 0.919 177.162 176.094 0.249 0.000 1.059 223 V CA 0.839 63.296 62.300 0.262 0.000 1.138 223 V CB 1.188 33.194 31.823 0.306 0.000 0.940 223 V HN 0.182 nan 8.190 nan 0.000 0.489 224 D N 3.055 123.628 120.400 0.288 0.000 2.367 224 D HA 0.301 4.939 4.640 -0.003 0.000 0.207 224 D C 0.724 177.274 176.300 0.417 0.000 1.034 224 D CA 1.237 55.442 54.000 0.342 0.000 0.861 224 D CB 1.200 42.221 40.800 0.367 0.000 0.943 224 D HN 0.931 nan 8.370 nan 0.000 0.515 225 G N 0.446 109.413 108.800 0.278 0.000 2.646 225 G HA2 0.584 4.542 3.960 -0.003 0.000 0.291 225 G HA3 0.584 4.542 3.960 -0.003 0.000 0.291 225 G C -1.674 173.219 174.900 -0.012 0.000 1.445 225 G CA -0.672 44.497 45.100 0.115 0.000 0.814 225 G HN -0.005 nan 8.290 nan 0.000 0.495 226 I N 0.545 121.016 120.570 -0.165 0.000 2.569 226 I HA 0.492 4.661 4.170 -0.003 0.000 0.290 226 I C -0.486 175.263 176.117 -0.613 0.000 1.088 226 I CA -0.987 60.158 61.300 -0.258 0.000 1.047 226 I CB 2.448 40.330 38.000 -0.197 0.000 1.237 226 I HN 0.228 nan 8.210 nan 0.000 0.421 227 R N 5.854 125.941 120.500 -0.689 0.000 2.239 227 R HA 0.472 4.811 4.340 -0.003 0.000 0.332 227 R C -1.458 174.627 176.300 -0.358 0.000 0.988 227 R CA -0.597 54.844 56.100 -1.098 0.000 0.859 227 R CB 1.307 30.818 30.300 -1.315 0.000 1.148 227 R HN 0.456 nan 8.270 nan 0.000 0.482 228 V N 4.297 124.071 119.914 -0.233 0.000 2.488 228 V HA 0.053 4.171 4.120 -0.003 0.000 0.277 228 V C 0.568 176.710 176.094 0.081 0.000 1.046 228 V CA -0.566 61.769 62.300 0.060 0.000 0.986 228 V CB 1.216 33.141 31.823 0.171 0.000 0.989 228 V HN 0.629 nan 8.190 nan 0.000 0.475 229 D N 4.076 124.560 120.400 0.140 0.000 2.302 229 D HA 0.486 5.125 4.640 -0.003 0.000 0.248 229 D C 0.767 177.130 176.300 0.106 0.000 1.094 229 D CA 0.553 54.643 54.000 0.150 0.000 0.897 229 D CB 1.042 41.959 40.800 0.196 0.000 1.200 229 D HN 1.075 nan 8.370 nan 0.000 0.429 230 A N 2.488 125.375 122.820 0.112 0.000 2.640 230 A HA -0.185 4.134 4.320 -0.003 0.000 0.300 230 A C 1.560 179.146 177.584 0.004 0.000 1.499 230 A CA 0.996 53.104 52.037 0.119 0.000 0.759 230 A CB -2.350 16.770 19.000 0.200 0.000 1.048 230 A HN 1.107 nan 8.150 nan 0.000 0.450 231 V N -1.818 118.056 119.914 -0.067 0.000 2.720 231 V HA -0.199 3.919 4.120 -0.003 0.000 0.256 231 V C 1.944 177.757 176.094 -0.469 0.000 1.082 231 V CA 2.545 64.745 62.300 -0.167 0.000 1.101 231 V CB -0.683 31.052 31.823 -0.146 0.000 0.693 231 V HN 0.727 nan 8.190 nan 0.000 0.479 232 K N -0.648 119.289 120.400 -0.772 0.000 2.439 232 K HA -0.092 4.226 4.320 -0.003 0.000 0.197 232 K C 1.406 177.361 176.600 -1.076 0.000 1.041 232 K CA 0.966 56.399 56.287 -1.423 0.000 0.970 232 K CB -0.131 31.185 32.500 -1.973 0.000 0.773 232 K HN 0.710 nan 8.250 nan 0.000 0.479 233 H N -0.620 118.245 119.070 -0.341 0.000 2.542 233 H HA 0.255 4.809 4.556 -0.003 0.000 0.283 233 H C -0.197 175.025 175.328 -0.177 0.000 1.059 233 H CA 0.045 55.952 56.048 -0.235 0.000 1.162 233 H CB 0.266 29.929 29.762 -0.165 0.000 1.539 233 H HN 0.130 nan 8.280 nan 0.000 0.543 234 M N 0.682 120.224 119.600 -0.097 0.000 2.572 234 M HA 0.365 4.844 4.480 -0.003 0.000 0.299 234 M C -2.684 173.624 176.300 0.014 0.000 1.205 234 M CA -1.929 53.341 55.300 -0.051 0.000 0.876 234 M CB 2.936 35.508 32.600 -0.045 0.000 1.728 234 M HN -0.212 nan 8.290 nan 0.000 0.458 235 P HA 0.051 nan 4.420 nan 0.000 0.268 235 P C 0.374 177.835 177.300 0.268 0.000 1.204 235 P CA -0.076 63.118 63.100 0.157 0.000 0.768 235 P CB 0.570 32.400 31.700 0.217 0.000 0.842 236 L N 3.613 125.019 121.223 0.305 0.000 2.083 236 L HA -0.129 4.209 4.340 -0.003 0.000 0.209 236 L C 2.169 179.156 176.870 0.196 0.000 1.083 236 L CA 2.305 57.357 54.840 0.354 0.000 0.752 236 L CB -1.024 41.251 42.059 0.361 0.000 0.899 236 L HN 0.521 nan 8.230 nan 0.000 0.433 237 G N -0.559 108.343 108.800 0.170 0.000 2.459 237 G HA2 -0.387 3.571 3.960 -0.003 0.000 0.217 237 G HA3 -0.387 3.571 3.960 -0.003 0.000 0.217 237 G C 1.209 176.202 174.900 0.154 0.000 1.183 237 G CA 0.877 46.066 45.100 0.150 0.000 0.776 237 G HN 0.675 nan 8.290 nan 0.000 0.552 238 W N 1.413 122.758 121.300 0.075 0.000 2.358 238 W HA -0.075 4.583 4.660 -0.002 0.000 0.303 238 W C 2.883 179.435 176.519 0.055 0.000 1.208 238 W CA 1.765 59.141 57.345 0.051 0.000 1.274 238 W CB -0.145 29.304 29.460 -0.018 0.000 1.138 238 W HN 0.305 nan 8.180 nan 0.000 0.515 239 Q N 0.149 119.965 119.800 0.027 0.000 2.124 239 Q HA -0.265 4.073 4.340 -0.003 0.000 0.202 239 Q C 2.223 178.146 176.000 -0.128 0.000 0.977 239 Q CA 1.915 57.679 55.803 -0.064 0.000 0.850 239 Q CB -0.464 28.419 28.738 0.241 0.000 0.901 239 Q HN 0.360 nan 8.270 nan 0.000 0.429 240 K N 0.345 120.684 120.400 -0.101 0.000 2.057 240 K HA -0.146 4.172 4.320 -0.003 0.000 0.206 240 K C 2.318 178.819 176.600 -0.165 0.000 1.050 240 K CA 1.447 57.659 56.287 -0.125 0.000 0.935 240 K CB -0.160 32.298 32.500 -0.071 0.000 0.715 240 K HN 0.030 nan 8.250 nan 0.000 0.439 241 S N -0.030 115.561 115.700 -0.181 0.000 2.356 241 S HA -0.185 4.284 4.470 -0.003 0.000 0.223 241 S C 1.687 176.131 174.600 -0.260 0.000 1.032 241 S CA 1.286 59.376 58.200 -0.183 0.000 1.005 241 S CB -0.480 62.627 63.200 -0.155 0.000 0.867 241 S HN 0.613 nan 8.310 nan 0.000 0.449 242 W N 1.678 122.553 121.300 -0.708 0.000 2.355 242 W HA -0.021 4.637 4.660 -0.002 0.000 0.309 242 W C 2.104 178.324 176.519 -0.498 0.000 1.206 242 W CA 1.453 58.365 57.345 -0.721 0.000 1.284 242 W CB -0.465 28.263 29.460 -1.220 0.000 1.145 242 W HN 0.226 nan 8.180 nan 0.000 0.502 243 M N 0.575 119.883 119.600 -0.488 0.000 2.108 243 M HA -0.191 4.287 4.480 -0.003 0.000 0.261 243 M C 2.406 178.261 176.300 -0.741 0.000 1.066 243 M CA 2.221 57.080 55.300 -0.736 0.000 1.107 243 M CB -1.958 30.332 32.600 -0.516 0.000 1.356 243 M HN 0.280 nan 8.290 nan 0.000 0.406 244 S N -0.211 115.262 115.700 -0.379 0.000 2.402 244 S HA -0.098 4.370 4.470 -0.003 0.000 0.229 244 S C 2.018 176.512 174.600 -0.177 0.000 1.021 244 S CA 1.551 59.641 58.200 -0.184 0.000 0.974 244 S CB -0.664 62.490 63.200 -0.077 0.000 0.800 244 S HN 0.573 nan 8.310 nan 0.000 0.484 245 S N 1.670 117.219 115.700 -0.251 0.000 2.406 245 S HA 0.088 4.557 4.470 -0.003 0.000 0.228 245 S C 1.843 176.309 174.600 -0.224 0.000 1.020 245 S CA 0.755 58.842 58.200 -0.189 0.000 0.965 245 S CB -0.803 62.295 63.200 -0.170 0.000 0.798 245 S HN 0.592 nan 8.310 nan 0.000 0.488 246 I N -0.080 120.230 120.570 -0.432 0.000 2.233 246 I HA -0.091 4.077 4.170 -0.003 0.000 0.243 246 I C 2.121 178.162 176.117 -0.126 0.000 1.093 246 I CA 1.180 62.237 61.300 -0.404 0.000 1.380 246 I CB -0.413 37.138 38.000 -0.747 0.000 1.067 246 I HN 0.238 nan 8.210 nan 0.000 0.413 247 Y N 0.806 121.020 120.300 -0.143 0.000 2.421 247 Y HA -0.067 4.481 4.550 -0.003 0.000 0.292 247 Y C 2.530 178.408 175.900 -0.037 0.000 1.136 247 Y CA 0.499 58.553 58.100 -0.077 0.000 1.255 247 Y CB -1.055 37.357 38.460 -0.080 0.000 0.991 247 Y HN 0.124 nan 8.280 nan 0.000 0.552 248 A N -1.612 121.274 122.820 0.111 0.000 2.123 248 A HA -0.085 4.234 4.320 -0.003 0.000 0.214 248 A C 2.046 179.681 177.584 0.084 0.000 1.152 248 A CA 1.029 53.111 52.037 0.075 0.000 0.728 248 A CB -0.566 18.461 19.000 0.045 0.000 0.814 248 A HN 0.539 nan 8.150 nan 0.000 0.464 249 H N -0.989 118.072 119.070 -0.015 0.000 2.315 249 H HA 0.289 4.844 4.556 -0.003 0.000 0.318 249 H C -0.235 175.092 175.328 -0.002 0.000 1.068 249 H CA 1.147 57.182 56.048 -0.020 0.000 1.465 249 H CB 0.341 30.073 29.762 -0.050 0.000 1.475 249 H HN 0.258 nan 8.280 nan 0.000 0.597 250 K N 1.807 122.225 120.400 0.030 0.000 2.790 250 K HA 0.253 4.571 4.320 -0.003 0.000 0.253 250 K C -2.892 173.764 176.600 0.093 0.000 1.082 250 K CA -1.838 54.445 56.287 -0.007 0.000 1.067 250 K CB 1.738 34.236 32.500 -0.004 0.000 1.284 250 K HN 0.115 nan 8.250 nan 0.000 0.529 251 P HA -0.000 nan 4.420 nan 0.000 0.267 251 P C -0.513 176.896 177.300 0.182 0.000 1.209 251 P CA -0.208 63.018 63.100 0.210 0.000 0.763 251 P CB 0.934 32.693 31.700 0.097 0.000 0.816 252 V N 1.414 121.473 119.914 0.242 0.000 3.007 252 V HA 0.508 4.627 4.120 -0.003 0.000 0.311 252 V C -0.485 175.787 176.094 0.296 0.000 1.120 252 V CA -1.455 60.990 62.300 0.242 0.000 0.980 252 V CB 1.815 33.746 31.823 0.179 0.000 1.033 252 V HN 0.298 nan 8.190 nan 0.000 0.429 253 F N 2.518 122.567 119.950 0.164 0.000 2.571 253 F HA 0.559 5.085 4.527 -0.003 0.000 0.384 253 F C 0.425 176.248 175.800 0.038 0.000 1.058 253 F CA 0.822 58.875 58.000 0.088 0.000 1.200 253 F CB 0.192 39.161 39.000 -0.050 0.000 1.077 253 F HN 0.765 nan 8.300 nan 0.000 0.558 254 T N 8.435 122.724 114.554 -0.442 0.000 2.841 254 T HA 0.579 4.927 4.350 -0.003 0.000 0.285 254 T C -1.099 173.341 174.700 -0.433 0.000 0.991 254 T CA -0.293 61.569 62.100 -0.397 0.000 0.966 254 T CB 0.785 69.521 68.868 -0.221 0.000 0.962 254 T HN 0.409 nan 8.240 nan 0.000 0.438 255 F N -0.038 119.582 119.950 -0.550 0.000 2.599 255 F HA 0.948 5.474 4.527 -0.003 0.000 0.311 255 F C -0.020 175.700 175.800 -0.134 0.000 1.076 255 F CA -1.398 56.384 58.000 -0.363 0.000 0.937 255 F CB 1.072 39.803 39.000 -0.448 0.000 1.282 255 F HN 0.707 nan 8.300 nan 0.000 0.460 256 G N -0.305 108.570 108.800 0.124 0.000 2.685 256 G HA2 0.699 4.658 3.960 -0.003 0.000 0.298 256 G HA3 0.699 4.658 3.960 -0.003 0.000 0.298 256 G C -1.895 173.152 174.900 0.246 0.000 1.277 256 G CA -0.916 44.260 45.100 0.126 0.000 0.986 256 G HN 1.076 nan 8.290 nan 0.000 0.487 257 A N 0.234 123.197 122.820 0.238 0.000 2.273 257 A HA 0.544 4.863 4.320 -0.003 0.000 0.320 257 A C -1.149 176.636 177.584 0.334 0.000 1.358 257 A CA -0.556 51.708 52.037 0.379 0.000 0.910 257 A CB 0.225 19.445 19.000 0.366 0.000 1.159 257 A HN 0.630 nan 8.150 nan 0.000 0.526 258 W N 5.407 126.844 121.300 0.228 0.000 2.363 258 W HA 0.405 5.063 4.660 -0.002 0.000 0.314 258 W C -1.556 174.964 176.519 0.002 0.000 0.994 258 W CA -1.929 55.446 57.345 0.050 0.000 1.449 258 W CB 0.781 30.229 29.460 -0.019 0.000 1.248 258 W HN 0.580 nan 8.180 nan 0.000 0.409 259 F N 6.020 125.846 119.950 -0.206 0.000 2.572 259 F HA 0.290 4.816 4.527 -0.003 0.000 0.370 259 F C -0.614 175.000 175.800 -0.310 0.000 1.103 259 F CA 0.763 58.360 58.000 -0.672 0.000 1.286 259 F CB 0.579 39.261 39.000 -0.530 0.000 1.105 259 F HN 0.174 nan 8.300 nan 0.000 0.583 260 L N 5.507 125.900 121.223 -1.383 0.000 2.431 260 L HA 0.339 4.677 4.340 -0.003 0.000 0.266 260 L C 0.877 177.203 176.870 -0.907 0.000 0.978 260 L CA -0.529 53.915 54.840 -0.661 0.000 0.822 260 L CB 2.074 44.050 42.059 -0.137 0.000 1.310 260 L HN 0.790 nan 8.230 nan 0.000 0.409 261 G N 0.669 109.227 108.800 -0.404 0.000 2.551 261 G HA2 0.015 3.974 3.960 -0.003 0.000 0.216 261 G HA3 0.015 3.974 3.960 -0.003 0.000 0.216 261 G C 0.528 175.389 174.900 -0.065 0.000 1.137 261 G CA 0.788 45.784 45.100 -0.173 0.000 0.798 261 G HN 0.576 nan 8.290 nan 0.000 0.536 262 S N -1.973 113.698 115.700 -0.048 0.000 2.806 262 S HA 0.676 5.144 4.470 -0.003 0.000 0.306 262 S C 0.797 175.404 174.600 0.012 0.000 1.167 262 S CA 0.161 58.357 58.200 -0.006 0.000 0.847 262 S CB 1.494 64.695 63.200 0.001 0.000 1.216 262 S HN 0.454 nan 8.310 nan 0.000 0.532 263 A N -0.255 122.572 122.820 0.013 0.000 2.251 263 A HA 0.675 4.994 4.320 -0.003 0.000 0.209 263 A C 1.146 178.744 177.584 0.022 0.000 1.187 263 A CA 0.368 52.420 52.037 0.025 0.000 0.823 263 A CB -1.240 17.759 19.000 -0.001 0.000 0.846 263 A HN 1.361 nan 8.150 nan 0.000 0.486 264 A N 0.142 122.969 122.820 0.012 0.000 2.445 264 A HA 0.455 4.774 4.320 -0.003 0.000 0.242 264 A C 0.799 178.386 177.584 0.004 0.000 1.075 264 A CA 0.333 52.373 52.037 0.005 0.000 0.777 264 A CB -0.069 18.934 19.000 0.004 0.000 1.013 264 A HN 0.533 nan 8.150 nan 0.000 0.493 265 S N 0.149 115.839 115.700 -0.016 0.000 2.549 265 S HA 0.227 4.695 4.470 -0.003 0.000 0.286 265 S C -0.352 174.234 174.600 -0.023 0.000 1.314 265 S CA 0.044 58.219 58.200 -0.042 0.000 1.062 265 S CB 0.039 63.202 63.200 -0.063 0.000 0.865 265 S HN 0.711 nan 8.310 nan 0.000 0.498 266 D N 2.920 123.300 120.400 -0.034 0.000 2.593 266 D HA 0.631 5.269 4.640 -0.003 0.000 0.251 266 D C 0.670 176.945 176.300 -0.042 0.000 1.140 266 D CA -0.212 53.782 54.000 -0.009 0.000 0.855 266 D CB 1.302 42.114 40.800 0.020 0.000 1.267 266 D HN 0.504 nan 8.370 nan 0.000 0.532 267 A N 3.553 126.369 122.820 -0.007 0.000 1.873 267 A HA -0.217 4.101 4.320 -0.003 0.000 0.218 267 A C 1.671 179.246 177.584 -0.016 0.000 1.193 267 A CA 1.628 53.663 52.037 -0.004 0.000 0.629 267 A CB -0.401 18.619 19.000 0.035 0.000 0.826 267 A HN 0.721 nan 8.150 nan 0.000 0.447 268 D N -0.472 119.936 120.400 0.013 0.000 2.178 268 D HA -0.150 4.489 4.640 -0.003 0.000 0.202 268 D C 1.838 177.885 176.300 -0.422 0.000 0.974 268 D CA 1.141 55.140 54.000 -0.002 0.000 0.841 268 D CB -0.468 40.498 40.800 0.277 0.000 0.953 268 D HN 0.605 nan 8.370 nan 0.000 0.478 269 N N 0.683 119.015 118.700 -0.614 0.000 2.142 269 N HA -0.122 4.617 4.740 -0.003 0.000 0.186 269 N C 1.450 176.779 175.510 -0.302 0.000 1.023 269 N CA 1.335 53.801 53.050 -0.973 0.000 0.852 269 N CB 0.090 38.196 38.487 -0.635 0.000 0.998 269 N HN 0.015 nan 8.380 nan 0.000 0.424 270 T N 1.187 115.673 114.554 -0.114 0.000 2.708 270 T HA -0.092 4.257 4.350 -0.003 0.000 0.266 270 T C 1.170 175.897 174.700 0.045 0.000 1.037 270 T CA 1.172 63.283 62.100 0.018 0.000 1.146 270 T CB -0.345 68.460 68.868 -0.104 0.000 0.865 270 T HN 0.247 nan 8.240 nan 0.000 0.435 271 D N 0.473 120.875 120.400 0.002 0.000 2.104 271 D HA -0.062 4.577 4.640 -0.003 0.000 0.194 271 D C 1.728 178.061 176.300 0.054 0.000 0.994 271 D CA 0.818 54.842 54.000 0.039 0.000 0.830 271 D CB -0.495 40.345 40.800 0.067 0.000 0.959 271 D HN 0.306 nan 8.370 nan 0.000 0.452 272 F N 1.580 121.470 119.950 -0.099 0.000 2.095 272 F HA -0.212 4.314 4.527 -0.003 0.000 0.298 272 F C 2.276 178.083 175.800 0.012 0.000 1.104 272 F CA 1.781 59.760 58.000 -0.036 0.000 1.232 272 F CB -0.230 38.690 39.000 -0.133 0.000 0.987 272 F HN -0.057 nan 8.300 nan 0.000 0.475 273 A N -0.073 122.844 122.820 0.161 0.000 1.972 273 A HA -0.192 4.127 4.320 -0.003 0.000 0.219 273 A C 1.888 179.495 177.584 0.038 0.000 1.169 273 A CA 1.929 54.031 52.037 0.107 0.000 0.635 273 A CB -0.691 18.386 19.000 0.129 0.000 0.810 273 A HN 0.510 nan 8.150 nan 0.000 0.446 274 N N -0.777 117.953 118.700 0.050 0.000 2.405 274 N HA 0.031 4.769 4.740 -0.003 0.000 0.175 274 N C 1.260 176.752 175.510 -0.031 0.000 1.051 274 N CA 1.002 54.069 53.050 0.028 0.000 0.899 274 N CB 0.063 38.581 38.487 0.052 0.000 1.000 274 N HN 0.581 nan 8.380 nan 0.000 0.451 275 K N -0.338 120.015 120.400 -0.079 0.000 2.399 275 K HA 0.161 4.480 4.320 -0.003 0.000 0.196 275 K C 1.831 178.324 176.600 -0.180 0.000 1.103 275 K CA 0.221 56.451 56.287 -0.095 0.000 0.986 275 K CB 0.460 32.934 32.500 -0.042 0.000 0.952 275 K HN 0.043 nan 8.250 nan 0.000 0.541 276 S N 0.221 115.694 115.700 -0.377 0.000 2.383 276 S HA -0.026 4.443 4.470 -0.003 0.000 0.227 276 S C 1.680 176.118 174.600 -0.269 0.000 1.026 276 S CA 1.162 59.057 58.200 -0.508 0.000 0.981 276 S CB -0.179 62.249 63.200 -1.287 0.000 0.818 276 S HN 0.413 nan 8.310 nan 0.000 0.472 277 G N 1.059 109.752 108.800 -0.177 0.000 2.184 277 G HA2 -0.166 3.793 3.960 -0.003 0.000 0.206 277 G HA3 -0.166 3.793 3.960 -0.003 0.000 0.206 277 G C -0.090 174.832 174.900 0.037 0.000 0.995 277 G CA 0.041 45.123 45.100 -0.030 0.000 0.651 277 G HN 0.955 nan 8.290 nan 0.000 0.511 278 M N 0.026 119.593 119.600 -0.054 0.000 2.619 278 M HA 0.845 5.323 4.480 -0.003 0.000 0.297 278 M C 0.329 176.638 176.300 0.015 0.000 1.229 278 M CA -0.296 55.001 55.300 -0.005 0.000 0.860 278 M CB 1.965 34.570 32.600 0.008 0.000 1.741 278 M HN 0.531 nan 8.290 nan 0.000 0.462 279 S N 1.008 116.714 115.700 0.009 0.000 2.666 279 S HA 0.860 5.328 4.470 -0.003 0.000 0.279 279 S C -0.560 174.119 174.600 0.131 0.000 1.149 279 S CA -0.660 57.562 58.200 0.037 0.000 1.020 279 S CB 1.025 64.239 63.200 0.024 0.000 1.127 279 S HN 0.628 nan 8.310 nan 0.000 0.537 280 L N -0.444 120.833 121.223 0.091 0.000 2.359 280 L HA 0.542 4.880 4.340 -0.003 0.000 0.256 280 L C -0.789 176.184 176.870 0.172 0.000 1.026 280 L CA -0.811 54.147 54.840 0.196 0.000 0.828 280 L CB 1.495 43.667 42.059 0.190 0.000 1.406 280 L HN 0.749 nan 8.230 nan 0.000 0.413 281 L N 1.829 123.228 121.223 0.292 0.000 2.360 281 L HA 0.153 4.492 4.340 -0.003 0.000 0.276 281 L C -0.008 177.006 176.870 0.240 0.000 1.121 281 L CA -0.193 54.790 54.840 0.239 0.000 0.845 281 L CB 0.358 42.520 42.059 0.172 0.000 1.143 281 L HN 0.493 nan 8.230 nan 0.000 0.452 282 D N 3.412 123.920 120.400 0.179 0.000 2.498 282 D HA -0.005 4.633 4.640 -0.003 0.000 0.229 282 D C 0.861 177.209 176.300 0.081 0.000 1.188 282 D CA 0.173 54.250 54.000 0.129 0.000 1.028 282 D CB 0.226 41.041 40.800 0.025 0.000 1.087 282 D HN 0.283 nan 8.370 nan 0.000 0.510 283 F N 1.382 121.470 119.950 0.230 0.000 2.293 283 F HA -0.022 4.504 4.527 -0.003 0.000 0.300 283 F C 2.400 178.225 175.800 0.041 0.000 1.086 283 F CA 0.581 58.652 58.000 0.118 0.000 1.375 283 F CB 0.138 39.175 39.000 0.062 0.000 1.045 283 F HN 0.214 nan 8.300 nan 0.000 0.516 284 R N -0.871 119.790 120.500 0.269 0.000 2.075 284 R HA -0.162 4.177 4.340 -0.003 0.000 0.232 284 R C 2.217 178.612 176.300 0.159 0.000 1.126 284 R CA 1.521 57.733 56.100 0.188 0.000 0.963 284 R CB -1.012 29.414 30.300 0.209 0.000 0.858 284 R HN 0.296 nan 8.270 nan 0.000 0.435 285 F N 2.730 122.701 119.950 0.036 0.000 2.102 285 F HA -0.206 4.319 4.527 -0.003 0.000 0.298 285 F C 2.259 178.024 175.800 -0.057 0.000 1.105 285 F CA 1.492 59.501 58.000 0.016 0.000 1.239 285 F CB -0.449 38.553 39.000 0.003 0.000 0.991 285 F HN 0.013 nan 8.300 nan 0.000 0.474 286 N N -0.103 118.623 118.700 0.043 0.000 2.043 286 N HA -0.215 4.524 4.740 -0.003 0.000 0.193 286 N C 1.914 177.400 175.510 -0.041 0.000 1.037 286 N CA 1.912 54.865 53.050 -0.162 0.000 0.851 286 N CB -0.276 37.868 38.487 -0.571 0.000 1.027 286 N HN 0.333 nan 8.380 nan 0.000 0.422 287 S N 0.759 116.462 115.700 0.004 0.000 2.359 287 S HA -0.113 4.355 4.470 -0.003 0.000 0.224 287 S C 2.181 176.760 174.600 -0.035 0.000 1.035 287 S CA 1.327 59.534 58.200 0.012 0.000 1.018 287 S CB -0.518 62.695 63.200 0.023 0.000 0.876 287 S HN 0.610 nan 8.310 nan 0.000 0.448 288 A N 1.165 123.935 122.820 -0.083 0.000 1.883 288 A HA -0.078 4.241 4.320 -0.003 0.000 0.217 288 A C 2.374 179.851 177.584 -0.178 0.000 1.186 288 A CA 1.717 53.664 52.037 -0.149 0.000 0.624 288 A CB -1.047 17.837 19.000 -0.192 0.000 0.822 288 A HN 0.340 nan 8.150 nan 0.000 0.444 289 V N -0.101 119.701 119.914 -0.186 0.000 2.332 289 V HA -0.291 3.827 4.120 -0.003 0.000 0.248 289 V C 2.683 178.899 176.094 0.203 0.000 1.055 289 V CA 2.397 64.687 62.300 -0.017 0.000 1.038 289 V CB -0.804 31.007 31.823 -0.020 0.000 0.651 289 V HN 0.535 nan 8.190 nan 0.000 0.450 290 R N -0.084 120.499 120.500 0.138 0.000 2.073 290 R HA -0.084 4.254 4.340 -0.003 0.000 0.229 290 R C 2.251 178.549 176.300 -0.004 0.000 1.120 290 R CA 1.399 57.565 56.100 0.110 0.000 0.967 290 R CB -0.389 29.947 30.300 0.060 0.000 0.862 290 R HN 0.502 nan 8.270 nan 0.000 0.436 291 N N 0.178 118.855 118.700 -0.039 0.000 2.166 291 N HA -0.125 4.614 4.740 -0.003 0.000 0.186 291 N C 1.768 177.206 175.510 -0.119 0.000 1.019 291 N CA 1.150 54.155 53.050 -0.076 0.000 0.856 291 N CB -0.170 38.268 38.487 -0.082 0.000 0.993 291 N HN 0.027 nan 8.380 nan 0.000 0.426 292 V N -0.242 119.559 119.914 -0.188 0.000 2.379 292 V HA -0.042 4.077 4.120 -0.003 0.000 0.243 292 V C 1.607 177.472 176.094 -0.382 0.000 1.035 292 V CA 1.223 63.301 62.300 -0.369 0.000 1.035 292 V CB -0.436 31.003 31.823 -0.640 0.000 0.673 292 V HN 0.078 nan 8.190 nan 0.000 0.457 293 F N -0.382 119.563 119.950 -0.008 0.000 2.446 293 F HA 0.198 4.723 4.527 -0.003 0.000 0.292 293 F C 2.409 178.271 175.800 0.103 0.000 1.096 293 F CA 0.979 59.041 58.000 0.103 0.000 1.438 293 F CB -0.185 38.958 39.000 0.238 0.000 1.107 293 F HN -0.092 nan 8.300 nan 0.000 0.546 294 R N 0.450 121.014 120.500 0.107 0.000 2.039 294 R HA -0.019 4.319 4.340 -0.003 0.000 0.218 294 R C 1.306 177.521 176.300 -0.142 0.000 1.220 294 R CA 1.313 57.267 56.100 -0.243 0.000 0.993 294 R CB -0.237 29.589 30.300 -0.790 0.000 0.881 294 R HN 0.045 nan 8.270 nan 0.000 0.450 295 D N 0.847 121.173 120.400 -0.124 0.000 2.347 295 D HA -0.023 4.615 4.640 -0.003 0.000 0.213 295 D C -0.168 176.096 176.300 -0.060 0.000 0.985 295 D CA 0.297 54.246 54.000 -0.085 0.000 0.879 295 D CB -0.018 40.737 40.800 -0.076 0.000 0.919 295 D HN 0.296 nan 8.370 nan 0.000 0.526 296 N N 0.570 119.232 118.700 -0.063 0.000 2.725 296 N HA -0.152 4.587 4.740 -0.003 0.000 0.249 296 N C 0.717 176.191 175.510 -0.060 0.000 1.103 296 N CA 1.234 54.246 53.050 -0.062 0.000 0.707 296 N CB -1.906 36.558 38.487 -0.039 0.000 1.043 296 N HN 0.393 nan 8.380 nan 0.000 0.553 297 T N -5.037 109.478 114.554 -0.065 0.000 3.069 297 T HA 0.346 4.695 4.350 -0.003 0.000 0.252 297 T C 0.582 175.245 174.700 -0.061 0.000 1.053 297 T CA 0.110 62.178 62.100 -0.054 0.000 0.964 297 T CB 0.717 69.559 68.868 -0.044 0.000 1.005 297 T HN 0.115 nan 8.240 nan 0.000 0.532 298 S N 1.633 117.281 115.700 -0.086 0.000 2.579 298 S HA 0.637 5.105 4.470 -0.003 0.000 0.272 298 S C -1.059 173.467 174.600 -0.125 0.000 1.141 298 S CA -1.023 57.120 58.200 -0.094 0.000 0.843 298 S CB 1.919 65.053 63.200 -0.109 0.000 1.122 298 S HN 0.677 nan 8.310 nan 0.000 0.468 299 N N 0.153 118.793 118.700 -0.099 0.000 2.671 299 N HA 0.410 5.149 4.740 -0.003 0.000 0.303 299 N C 0.850 176.230 175.510 -0.217 0.000 1.277 299 N CA -0.827 52.150 53.050 -0.122 0.000 0.933 299 N CB -0.095 38.387 38.487 -0.008 0.000 1.190 299 N HN 0.331 nan 8.380 nan 0.000 0.600 300 M N -0.860 118.557 119.600 -0.305 0.000 2.260 300 M HA -0.106 4.373 4.480 -0.003 0.000 0.261 300 M C 1.051 177.026 176.300 -0.542 0.000 1.066 300 M CA 1.485 56.491 55.300 -0.489 0.000 1.082 300 M CB -1.388 30.931 32.600 -0.468 0.000 1.388 300 M HN 0.539 nan 8.290 nan 0.000 0.419 301 Y N 0.188 120.338 120.300 -0.250 0.000 2.293 301 Y HA -0.063 4.486 4.550 -0.003 0.000 0.291 301 Y C 2.553 178.331 175.900 -0.203 0.000 1.137 301 Y CA 1.331 59.308 58.100 -0.206 0.000 1.202 301 Y CB -0.919 37.461 38.460 -0.132 0.000 0.990 301 Y HN 0.291 nan 8.280 nan 0.000 0.537 302 A N -0.696 122.085 122.820 -0.065 0.000 2.015 302 A HA -0.098 4.221 4.320 -0.003 0.000 0.219 302 A C 2.072 179.559 177.584 -0.163 0.000 1.163 302 A CA 1.096 53.076 52.037 -0.096 0.000 0.646 302 A CB -0.724 18.214 19.000 -0.104 0.000 0.806 302 A HN 0.391 nan 8.150 nan 0.000 0.448 303 L N -0.107 120.945 121.223 -0.285 0.000 2.068 303 L HA -0.052 4.287 4.340 -0.003 0.000 0.204 303 L C 1.961 178.686 176.870 -0.243 0.000 1.076 303 L CA 2.416 57.050 54.840 -0.344 0.000 0.753 303 L CB -0.535 41.181 42.059 -0.571 0.000 0.910 303 L HN 0.469 nan 8.230 nan 0.000 0.439 304 D N -1.935 118.260 120.400 -0.341 0.000 2.144 304 D HA -0.197 4.441 4.640 -0.003 0.000 0.200 304 D C 2.355 178.656 176.300 0.001 0.000 0.978 304 D CA 1.252 55.176 54.000 -0.127 0.000 0.833 304 D CB 0.092 40.811 40.800 -0.135 0.000 0.961 304 D HN 0.284 nan 8.370 nan 0.000 0.470 305 S N -0.888 114.799 115.700 -0.021 0.000 2.382 305 S HA -0.156 4.312 4.470 -0.003 0.000 0.228 305 S C 1.893 176.501 174.600 0.014 0.000 1.027 305 S CA 1.148 59.353 58.200 0.008 0.000 0.991 305 S CB -0.408 62.791 63.200 -0.002 0.000 0.823 305 S HN 0.320 nan 8.310 nan 0.000 0.469 306 M N 1.037 120.638 119.600 0.001 0.000 2.132 306 M HA -0.032 4.446 4.480 -0.003 0.000 0.263 306 M C 1.728 178.080 176.300 0.087 0.000 1.065 306 M CA 1.437 56.755 55.300 0.029 0.000 1.122 306 M CB -0.866 31.731 32.600 -0.005 0.000 1.365 306 M HN 0.313 nan 8.290 nan 0.000 0.411 307 I N 1.533 122.166 120.570 0.105 0.000 2.127 307 I HA -0.333 3.835 4.170 -0.003 0.000 0.241 307 I C 2.038 178.229 176.117 0.123 0.000 1.075 307 I CA 1.419 62.812 61.300 0.154 0.000 1.334 307 I CB -1.922 36.184 38.000 0.177 0.000 1.040 307 I HN 0.355 nan 8.210 nan 0.000 0.405 308 N N 0.283 119.041 118.700 0.097 0.000 2.142 308 N HA -0.148 4.590 4.740 -0.003 0.000 0.186 308 N C 2.065 177.605 175.510 0.051 0.000 1.023 308 N CA 1.512 54.607 53.050 0.076 0.000 0.852 308 N CB -0.402 38.125 38.487 0.067 0.000 0.998 308 N HN 0.247 nan 8.380 nan 0.000 0.424 309 S N 0.383 116.105 115.700 0.037 0.000 2.355 309 S HA -0.116 4.352 4.470 -0.003 0.000 0.222 309 S C 2.058 176.644 174.600 -0.022 0.000 1.031 309 S CA 2.087 60.288 58.200 0.002 0.000 0.993 309 S CB -0.523 62.672 63.200 -0.007 0.000 0.859 309 S HN 0.616 nan 8.310 nan 0.000 0.453 310 T N -0.090 114.482 114.554 0.030 0.000 2.821 310 T HA 0.146 4.495 4.350 -0.003 0.000 0.267 310 T C 1.909 176.666 174.700 0.094 0.000 1.046 310 T CA 1.178 63.306 62.100 0.046 0.000 1.139 310 T CB -0.769 68.251 68.868 0.254 0.000 0.871 310 T HN 0.402 nan 8.240 nan 0.000 0.454 311 A N 1.355 124.239 122.820 0.108 0.000 2.019 311 A HA 0.005 4.324 4.320 -0.003 0.000 0.219 311 A C 2.504 180.123 177.584 0.058 0.000 1.164 311 A CA 1.817 53.918 52.037 0.106 0.000 0.644 311 A CB -1.147 17.912 19.000 0.098 0.000 0.805 311 A HN 0.556 nan 8.150 nan 0.000 0.449 312 T N -0.359 114.204 114.554 0.014 0.000 2.939 312 T HA -0.041 4.307 4.350 -0.003 0.000 0.254 312 T C 1.383 176.050 174.700 -0.055 0.000 1.041 312 T CA 1.164 63.256 62.100 -0.013 0.000 1.142 312 T CB -0.226 68.631 68.868 -0.018 0.000 0.874 312 T HN 0.422 nan 8.240 nan 0.000 0.452 313 D N 0.159 120.473 120.400 -0.143 0.000 2.123 313 D HA 0.013 4.652 4.640 -0.003 0.000 0.200 313 D C -0.014 176.150 176.300 -0.226 0.000 0.976 313 D CA 0.904 54.748 54.000 -0.261 0.000 0.831 313 D CB -0.160 40.353 40.800 -0.478 0.000 0.974 313 D HN 0.352 nan 8.370 nan 0.000 0.469 314 Y N 1.551 121.865 120.300 0.023 0.000 2.316 314 Y HA 0.168 4.717 4.550 -0.003 0.000 0.331 314 Y C 1.487 177.395 175.900 0.014 0.000 1.083 314 Y CA -0.824 57.290 58.100 0.024 0.000 1.206 314 Y CB 0.491 38.977 38.460 0.044 0.000 1.195 314 Y HN -0.226 nan 8.280 nan 0.000 0.497 315 N N 1.570 120.372 118.700 0.170 0.000 2.120 315 N HA -0.144 4.594 4.740 -0.003 0.000 0.188 315 N C -0.082 175.460 175.510 0.053 0.000 1.024 315 N CA 1.257 54.350 53.050 0.071 0.000 0.852 315 N CB -0.015 38.499 38.487 0.045 0.000 1.003 315 N HN 0.627 nan 8.380 nan 0.000 0.424 316 Q N -0.179 119.681 119.800 0.101 0.000 2.607 316 Q HA 0.248 4.586 4.340 -0.003 0.000 0.247 316 Q C 0.448 176.527 176.000 0.132 0.000 1.033 316 Q CA -0.133 55.732 55.803 0.103 0.000 0.769 316 Q CB 1.881 30.701 28.738 0.137 0.000 1.169 316 Q HN -0.088 nan 8.270 nan 0.000 0.508 317 V N 2.840 122.843 119.914 0.148 0.000 2.759 317 V HA -0.235 3.883 4.120 -0.003 0.000 0.256 317 V C 0.904 177.054 176.094 0.093 0.000 1.080 317 V CA 2.015 64.404 62.300 0.148 0.000 1.101 317 V CB -0.038 31.897 31.823 0.186 0.000 0.698 317 V HN 0.790 nan 8.190 nan 0.000 0.477 318 N N -0.230 118.548 118.700 0.131 0.000 2.512 318 N HA -0.093 4.646 4.740 -0.003 0.000 0.183 318 N C 0.780 176.356 175.510 0.111 0.000 1.073 318 N CA 0.890 54.010 53.050 0.117 0.000 0.911 318 N CB 0.041 38.656 38.487 0.213 0.000 0.964 318 N HN 0.485 nan 8.380 nan 0.000 0.447 319 D N 0.247 120.748 120.400 0.168 0.000 2.350 319 D HA 0.015 4.654 4.640 -0.003 0.000 0.213 319 D C 0.105 176.491 176.300 0.144 0.000 1.031 319 D CA 0.490 54.641 54.000 0.252 0.000 0.861 319 D CB 0.257 41.265 40.800 0.346 0.000 0.926 319 D HN 0.156 nan 8.370 nan 0.000 0.520 320 Q N 0.789 120.583 119.800 -0.009 0.000 2.304 320 Q HA 0.204 4.543 4.340 -0.003 0.000 0.260 320 Q C -0.041 175.886 176.000 -0.121 0.000 0.965 320 Q CA -0.270 55.472 55.803 -0.102 0.000 0.898 320 Q CB 1.874 30.492 28.738 -0.199 0.000 1.196 320 Q HN -0.098 nan 8.270 nan 0.000 0.402 321 V N 3.654 123.486 119.914 -0.136 0.000 2.389 321 V HA 0.173 4.291 4.120 -0.003 0.000 0.264 321 V C 0.734 176.819 176.094 -0.015 0.000 1.049 321 V CA -0.371 61.821 62.300 -0.180 0.000 0.932 321 V CB 0.429 31.977 31.823 -0.458 0.000 1.011 321 V HN 0.860 nan 8.190 nan 0.000 0.475 322 T N 2.901 117.377 114.554 -0.129 0.000 2.918 322 T HA 0.854 5.203 4.350 -0.003 0.000 0.283 322 T C -0.657 174.143 174.700 0.167 0.000 1.001 322 T CA -0.499 61.463 62.100 -0.229 0.000 1.041 322 T CB 1.545 69.865 68.868 -0.914 0.000 1.028 322 T HN 0.761 nan 8.240 nan 0.000 0.511 323 F N -0.783 119.176 119.950 0.014 0.000 2.769 323 F HA 0.443 4.968 4.527 -0.003 0.000 0.313 323 F C 0.159 176.082 175.800 0.204 0.000 1.146 323 F CA -1.455 56.605 58.000 0.099 0.000 0.934 323 F CB 0.418 39.463 39.000 0.074 0.000 1.283 323 F HN 0.595 nan 8.300 nan 0.000 0.443 324 I N -1.102 119.627 120.570 0.264 0.000 3.645 324 I HA 0.364 4.532 4.170 -0.003 0.000 0.300 324 I C -0.571 175.781 176.117 0.391 0.000 1.260 324 I CA 0.481 61.921 61.300 0.232 0.000 1.365 324 I CB 0.130 38.146 38.000 0.027 0.000 1.077 324 I HN 0.663 nan 8.210 nan 0.000 0.439 325 D N 0.585 121.278 120.400 0.488 0.000 2.725 325 D HA 0.363 5.001 4.640 -0.003 0.000 0.292 325 D C -1.164 175.281 176.300 0.243 0.000 1.288 325 D CA -0.701 53.562 54.000 0.437 0.000 0.784 325 D CB 0.751 41.772 40.800 0.369 0.000 1.308 325 D HN 0.343 nan 8.370 nan 0.000 0.429 326 N N -2.622 116.025 118.700 -0.087 0.000 3.387 326 N HA 0.132 4.871 4.740 -0.003 0.000 0.294 326 N C 0.667 175.763 175.510 -0.690 0.000 1.519 326 N CA -0.443 52.167 53.050 -0.733 0.000 0.875 326 N CB -0.156 37.997 38.487 -0.556 0.000 1.657 326 N HN 0.562 nan 8.380 nan 0.000 0.527 327 H N -1.725 116.923 119.070 -0.703 0.000 2.543 327 H HA 0.077 4.631 4.556 -0.003 0.000 0.286 327 H C -0.604 174.715 175.328 -0.015 0.000 1.037 327 H CA 1.050 56.974 56.048 -0.205 0.000 1.250 327 H CB -0.253 29.538 29.762 0.049 0.000 1.373 327 H HN 0.516 nan 8.280 nan 0.000 0.580 328 D N 0.703 120.870 120.400 -0.387 0.000 2.339 328 D HA 0.127 4.765 4.640 -0.003 0.000 0.217 328 D C 1.214 177.523 176.300 0.015 0.000 1.050 328 D CA 0.298 54.201 54.000 -0.162 0.000 0.856 328 D CB 0.514 41.263 40.800 -0.085 0.000 0.922 328 D HN 0.607 nan 8.370 nan 0.000 0.518 329 M N -1.677 117.956 119.600 0.056 0.000 2.843 329 M HA 0.428 4.907 4.480 -0.003 0.000 0.273 329 M C -1.549 174.813 176.300 0.102 0.000 1.286 329 M CA -0.964 54.407 55.300 0.118 0.000 0.807 329 M CB 1.764 34.500 32.600 0.225 0.000 1.684 329 M HN -0.456 nan 8.290 nan 0.000 0.458 330 D N 2.271 122.731 120.400 0.099 0.000 2.399 330 D HA 0.221 4.859 4.640 -0.003 0.000 0.241 330 D C -0.150 176.225 176.300 0.126 0.000 1.133 330 D CA 0.100 54.153 54.000 0.088 0.000 0.890 330 D CB 0.630 41.463 40.800 0.055 0.000 1.201 330 D HN 0.332 nan 8.370 nan 0.000 0.432 331 R N 1.401 121.981 120.500 0.133 0.000 2.698 331 R HA -0.051 4.288 4.340 -0.003 0.000 0.266 331 R C 1.167 177.585 176.300 0.197 0.000 1.026 331 R CA -0.049 56.162 56.100 0.184 0.000 1.102 331 R CB 0.000 30.382 30.300 0.136 0.000 0.978 331 R HN 0.519 nan 8.270 nan 0.000 0.436 332 F N 2.053 122.075 119.950 0.121 0.000 2.095 332 F HA -0.195 4.330 4.527 -0.003 0.000 0.298 332 F C 1.119 176.982 175.800 0.104 0.000 1.104 332 F CA 1.570 59.638 58.000 0.114 0.000 1.232 332 F CB -0.008 39.062 39.000 0.118 0.000 0.987 332 F HN 0.272 nan 8.300 nan 0.000 0.475 333 K N 1.183 121.805 120.400 0.369 0.000 2.368 333 K HA 0.258 4.577 4.320 -0.003 0.000 0.282 333 K C -0.944 175.735 176.600 0.131 0.000 1.035 333 K CA 0.250 56.698 56.287 0.269 0.000 0.973 333 K CB 0.655 33.330 32.500 0.291 0.000 0.957 333 K HN 0.120 nan 8.250 nan 0.000 0.474 334 T N 1.784 116.389 114.554 0.086 0.000 2.864 334 T HA 0.155 4.504 4.350 -0.003 0.000 0.299 334 T C 0.784 175.508 174.700 0.041 0.000 1.166 334 T CA -0.215 61.911 62.100 0.042 0.000 1.007 334 T CB 1.393 70.264 68.868 0.005 0.000 1.219 334 T HN 0.604 nan 8.240 nan 0.000 0.506 335 S N 0.764 116.479 115.700 0.025 0.000 2.400 335 S HA -0.109 4.359 4.470 -0.003 0.000 0.232 335 S C 2.049 176.658 174.600 0.016 0.000 1.025 335 S CA 1.067 59.278 58.200 0.018 0.000 0.993 335 S CB -0.489 62.717 63.200 0.010 0.000 0.808 335 S HN 0.789 nan 8.310 nan 0.000 0.478 336 A N 0.733 123.560 122.820 0.012 0.000 2.208 336 A HA 0.480 4.799 4.320 -0.003 0.000 0.209 336 A C 0.748 178.342 177.584 0.017 0.000 1.161 336 A CA 0.073 52.116 52.037 0.009 0.000 0.782 336 A CB -0.162 18.836 19.000 -0.002 0.000 0.816 336 A HN 0.390 nan 8.150 nan 0.000 0.477 337 V N 1.929 121.861 119.914 0.029 0.000 2.394 337 V HA 0.166 4.284 4.120 -0.003 0.000 0.282 337 V C -0.550 175.603 176.094 0.099 0.000 1.031 337 V CA -0.968 61.368 62.300 0.060 0.000 0.881 337 V CB 0.981 32.833 31.823 0.048 0.000 0.982 337 V HN 0.498 nan 8.190 nan 0.000 0.451 338 N N 3.791 122.557 118.700 0.111 0.000 2.482 338 N HA 0.164 4.902 4.740 -0.003 0.000 0.260 338 N C 0.875 176.472 175.510 0.144 0.000 1.236 338 N CA -0.469 52.641 53.050 0.100 0.000 0.938 338 N CB 0.261 38.804 38.487 0.092 0.000 1.128 338 N HN 0.491 nan 8.380 nan 0.000 0.448 339 N N 0.773 119.521 118.700 0.079 0.000 2.166 339 N HA -0.136 4.602 4.740 -0.003 0.000 0.186 339 N C 1.520 177.141 175.510 0.185 0.000 1.019 339 N CA 0.804 53.918 53.050 0.107 0.000 0.856 339 N CB -0.126 38.289 38.487 -0.120 0.000 0.993 339 N HN 0.427 nan 8.380 nan 0.000 0.426 340 R N 1.360 121.936 120.500 0.128 0.000 2.096 340 R HA 0.072 4.410 4.340 -0.003 0.000 0.235 340 R C 1.722 178.106 176.300 0.140 0.000 1.127 340 R CA 1.179 57.353 56.100 0.122 0.000 0.968 340 R CB -0.176 30.184 30.300 0.100 0.000 0.861 340 R HN 0.060 nan 8.270 nan 0.000 0.440 341 R N 0.281 120.900 120.500 0.198 0.000 2.092 341 R HA -0.082 4.256 4.340 -0.003 0.000 0.231 341 R C 2.264 178.694 176.300 0.216 0.000 1.119 341 R CA 1.345 57.613 56.100 0.279 0.000 0.970 341 R CB -1.044 29.473 30.300 0.361 0.000 0.864 341 R HN 0.365 nan 8.270 nan 0.000 0.440 342 L N 1.157 122.512 121.223 0.221 0.000 2.056 342 L HA -0.137 4.201 4.340 -0.003 0.000 0.207 342 L C 1.853 178.602 176.870 -0.201 0.000 1.078 342 L CA 1.531 56.306 54.840 -0.109 0.000 0.749 342 L CB -0.118 42.028 42.059 0.145 0.000 0.901 342 L HN 0.139 nan 8.230 nan 0.000 0.433 343 E N -0.552 119.637 120.200 -0.018 0.000 2.110 343 E HA -0.265 4.083 4.350 -0.003 0.000 0.193 343 E C 2.202 178.737 176.600 -0.108 0.000 0.988 343 E CA 1.417 57.797 56.400 -0.032 0.000 0.804 343 E CB -0.063 29.677 29.700 0.066 0.000 0.745 343 E HN 0.628 nan 8.360 nan 0.000 0.458 344 Q N 0.117 119.835 119.800 -0.137 0.000 2.079 344 Q HA -0.088 4.250 4.340 -0.003 0.000 0.200 344 Q C 2.286 177.969 176.000 -0.528 0.000 0.974 344 Q CA 1.124 56.785 55.803 -0.236 0.000 0.840 344 Q CB -0.118 28.529 28.738 -0.151 0.000 0.898 344 Q HN 0.244 nan 8.270 nan 0.000 0.430 345 A N 0.904 123.292 122.820 -0.720 0.000 1.933 345 A HA -0.164 4.155 4.320 -0.003 0.000 0.218 345 A C 2.043 179.456 177.584 -0.284 0.000 1.175 345 A CA 1.041 52.645 52.037 -0.722 0.000 0.628 345 A CB -0.600 17.971 19.000 -0.714 0.000 0.814 345 A HN 0.272 nan 8.150 nan 0.000 0.444 346 L N -0.963 120.108 121.223 -0.254 0.000 2.005 346 L HA -0.181 4.157 4.340 -0.003 0.000 0.207 346 L C 3.168 180.007 176.870 -0.052 0.000 1.072 346 L CA 1.110 55.874 54.840 -0.126 0.000 0.744 346 L CB -0.601 41.378 42.059 -0.132 0.000 0.895 346 L HN 0.438 nan 8.230 nan 0.000 0.433 347 A N -0.213 122.572 122.820 -0.059 0.000 1.917 347 A HA -0.312 4.006 4.320 -0.003 0.000 0.219 347 A C 2.165 179.786 177.584 0.061 0.000 1.182 347 A CA 1.953 53.980 52.037 -0.017 0.000 0.633 347 A CB -0.971 18.015 19.000 -0.025 0.000 0.819 347 A HN 0.425 nan 8.150 nan 0.000 0.448 348 F N 1.235 121.164 119.950 -0.035 0.000 2.075 348 F HA -0.168 4.357 4.527 -0.003 0.000 0.297 348 F C 2.561 178.466 175.800 0.175 0.000 1.113 348 F CA 2.428 60.497 58.000 0.115 0.000 1.218 348 F CB -0.778 38.241 39.000 0.033 0.000 0.984 348 F HN 0.214 nan 8.300 nan 0.000 0.472 349 T N 1.554 116.227 114.554 0.199 0.000 2.684 349 T HA -0.195 4.154 4.350 -0.003 0.000 0.267 349 T C 2.130 176.805 174.700 -0.041 0.000 1.036 349 T CA 1.842 64.037 62.100 0.159 0.000 1.148 349 T CB -0.601 68.386 68.868 0.199 0.000 0.863 349 T HN 0.246 nan 8.240 nan 0.000 0.436 350 L N 1.222 122.423 121.223 -0.037 0.000 2.201 350 L HA -0.053 4.285 4.340 -0.003 0.000 0.212 350 L C 2.647 179.462 176.870 -0.091 0.000 1.105 350 L CA 1.357 56.155 54.840 -0.070 0.000 0.775 350 L CB -0.747 41.275 42.059 -0.061 0.000 0.913 350 L HN 0.447 nan 8.230 nan 0.000 0.440 351 T N -5.745 108.762 114.554 -0.079 0.000 3.069 351 T HA 0.183 4.531 4.350 -0.003 0.000 0.252 351 T C 0.821 175.492 174.700 -0.049 0.000 1.053 351 T CA -0.278 61.790 62.100 -0.054 0.000 0.964 351 T CB 0.282 69.142 68.868 -0.013 0.000 1.005 351 T HN 0.005 nan 8.240 nan 0.000 0.532 352 S N 2.204 117.802 115.700 -0.171 0.000 2.707 352 S HA 0.585 5.053 4.470 -0.003 0.000 0.276 352 S C 0.433 174.933 174.600 -0.166 0.000 1.179 352 S CA -1.067 56.997 58.200 -0.226 0.000 0.992 352 S CB 0.904 63.873 63.200 -0.384 0.000 1.030 352 S HN 0.601 nan 8.310 nan 0.000 0.554 353 R N 0.633 121.062 120.500 -0.117 0.000 2.774 353 R HA 0.556 4.894 4.340 -0.003 0.000 0.269 353 R C 0.554 176.749 176.300 -0.175 0.000 1.068 353 R CA 0.572 56.614 56.100 -0.096 0.000 1.180 353 R CB -1.280 29.016 30.300 -0.007 0.000 1.077 353 R HN 0.982 nan 8.270 nan 0.000 0.513 354 G N -0.299 108.419 108.800 -0.137 0.000 2.582 354 G HA2 -0.169 3.790 3.960 -0.003 0.000 0.222 354 G HA3 -0.169 3.790 3.960 -0.003 0.000 0.222 354 G C -1.429 173.352 174.900 -0.199 0.000 1.311 354 G CA -0.335 44.667 45.100 -0.164 0.000 0.915 354 G HN 0.671 nan 8.290 nan 0.000 0.528 355 V N 2.938 122.730 119.914 -0.204 0.000 2.313 355 V HA 0.523 4.641 4.120 -0.003 0.000 0.278 355 V C -1.721 174.271 176.094 -0.169 0.000 1.017 355 V CA -0.910 61.267 62.300 -0.205 0.000 0.823 355 V CB 1.591 33.266 31.823 -0.247 0.000 1.010 355 V HN 0.704 nan 8.190 nan 0.000 0.443 356 P HA 0.402 nan 4.420 nan 0.000 0.276 356 P C -0.705 176.614 177.300 0.033 0.000 1.235 356 P CA 0.002 63.060 63.100 -0.069 0.000 0.772 356 P CB 1.672 33.326 31.700 -0.078 0.000 0.871 357 A N 4.576 127.469 122.820 0.121 0.000 2.355 357 A HA 0.724 5.043 4.320 -0.003 0.000 0.317 357 A C -0.485 177.228 177.584 0.215 0.000 1.094 357 A CA -0.890 51.277 52.037 0.216 0.000 0.764 357 A CB 0.917 20.116 19.000 0.331 0.000 1.230 357 A HN 0.476 nan 8.150 nan 0.000 0.448 358 I N 2.196 122.874 120.570 0.180 0.000 2.406 358 I HA 0.209 4.377 4.170 -0.003 0.000 0.290 358 I C -0.991 175.154 176.117 0.046 0.000 0.999 358 I CA -0.708 60.672 61.300 0.134 0.000 1.124 358 I CB 1.497 39.585 38.000 0.147 0.000 1.289 358 I HN 0.705 nan 8.210 nan 0.000 0.441 359 Y N 8.189 128.444 120.300 -0.075 0.000 2.465 359 Y HA 0.081 4.630 4.550 -0.003 0.000 0.331 359 Y C 0.066 175.812 175.900 -0.258 0.000 1.102 359 Y CA -1.138 56.877 58.100 -0.142 0.000 1.358 359 Y CB 0.117 38.541 38.460 -0.060 0.000 1.213 359 Y HN 0.441 nan 8.280 nan 0.000 0.525 360 Y N 3.682 123.644 120.300 -0.564 0.000 2.904 360 Y HA 0.298 4.846 4.550 -0.003 0.000 0.336 360 Y C 1.076 176.853 175.900 -0.204 0.000 1.263 360 Y CA -0.200 57.617 58.100 -0.471 0.000 1.547 360 Y CB -0.099 38.237 38.460 -0.206 0.000 1.272 360 Y HN 0.893 nan 8.280 nan 0.000 0.596 361 G N 2.159 110.959 108.800 0.001 0.000 2.195 361 G HA2 -0.352 3.606 3.960 -0.003 0.000 0.246 361 G HA3 -0.352 3.606 3.960 -0.003 0.000 0.246 361 G C 0.841 175.678 174.900 -0.105 0.000 0.984 361 G CA 0.364 45.400 45.100 -0.106 0.000 0.633 361 G HN 0.847 nan 8.290 nan 0.000 0.525 362 T N 1.622 116.119 114.554 -0.094 0.000 2.833 362 T HA -0.075 4.273 4.350 -0.003 0.000 0.269 362 T C 2.134 176.725 174.700 -0.182 0.000 1.054 362 T CA 1.807 63.849 62.100 -0.097 0.000 1.135 362 T CB -0.217 68.626 68.868 -0.042 0.000 0.869 362 T HN 0.786 nan 8.240 nan 0.000 0.466 363 E N 0.968 121.137 120.200 -0.052 0.000 2.478 363 E HA -0.111 4.237 4.350 -0.003 0.000 0.198 363 E C 1.160 177.706 176.600 -0.090 0.000 1.046 363 E CA 0.745 57.105 56.400 -0.066 0.000 0.870 363 E CB -0.051 29.739 29.700 0.149 0.000 0.818 363 E HN 0.411 nan 8.360 nan 0.000 0.527 364 Q N -0.159 119.609 119.800 -0.053 0.000 2.179 364 Q HA 0.084 4.423 4.340 -0.003 0.000 0.213 364 Q C -0.568 175.526 176.000 0.158 0.000 0.833 364 Q CA -0.474 55.371 55.803 0.070 0.000 0.990 364 Q CB -0.152 28.623 28.738 0.061 0.000 1.132 364 Q HN 0.325 nan 8.270 nan 0.000 0.493 365 Y N -0.349 119.982 120.300 0.051 0.000 3.305 365 Y HA -0.271 4.277 4.550 -0.003 0.000 0.212 365 Y C 0.293 176.205 175.900 0.021 0.000 1.248 365 Y CA -0.084 58.044 58.100 0.047 0.000 1.359 365 Y CB -2.246 36.247 38.460 0.054 0.000 1.407 365 Y HN 0.227 nan 8.280 nan 0.000 0.572 366 L N 1.399 122.658 121.223 0.059 0.000 2.499 366 L HA 0.114 4.452 4.340 -0.003 0.000 0.273 366 L C 1.113 178.001 176.870 0.029 0.000 1.195 366 L CA 0.868 55.705 54.840 -0.004 0.000 0.882 366 L CB 0.671 42.645 42.059 -0.142 0.000 1.133 366 L HN 0.488 nan 8.230 nan 0.000 0.483 367 T N 0.253 114.824 114.554 0.029 0.000 2.937 367 T HA 0.843 5.191 4.350 -0.003 0.000 0.283 367 T C -0.048 174.663 174.700 0.019 0.000 1.012 367 T CA -0.277 61.849 62.100 0.043 0.000 0.997 367 T CB 2.012 70.907 68.868 0.045 0.000 1.136 367 T HN 0.918 nan 8.240 nan 0.000 0.551 368 G N 0.761 109.580 108.800 0.032 0.000 2.177 368 G HA2 0.177 4.135 3.960 -0.003 0.000 0.202 368 G HA3 0.177 4.135 3.960 -0.003 0.000 0.202 368 G C -1.480 173.445 174.900 0.041 0.000 1.581 368 G CA -1.174 43.941 45.100 0.026 0.000 0.983 368 G HN 0.905 nan 8.290 nan 0.000 0.689 369 N N 1.058 119.776 118.700 0.030 0.000 2.421 369 N HA 0.670 5.409 4.740 -0.003 0.000 0.285 369 N C 0.707 176.233 175.510 0.026 0.000 1.027 369 N CA 0.386 53.454 53.050 0.030 0.000 0.918 369 N CB 1.832 40.331 38.487 0.020 0.000 1.152 369 N HN 1.565 nan 8.380 nan 0.000 0.485 370 G N 1.633 110.451 108.800 0.030 0.000 2.888 370 G HA2 -0.254 3.704 3.960 -0.003 0.000 0.441 370 G HA3 -0.254 3.704 3.960 -0.003 0.000 0.441 370 G C -0.880 174.036 174.900 0.027 0.000 1.461 370 G CA -0.674 44.438 45.100 0.019 0.000 0.897 370 G HN 0.665 nan 8.290 nan 0.000 0.547 371 D N 0.471 120.882 120.400 0.019 0.000 2.308 371 D HA 0.526 5.165 4.640 -0.003 0.000 0.251 371 D C -0.076 176.247 176.300 0.038 0.000 1.127 371 D CA -1.448 52.578 54.000 0.043 0.000 0.876 371 D CB 1.224 42.041 40.800 0.028 0.000 1.176 371 D HN 0.217 nan 8.370 nan 0.000 0.446 372 P HA 0.153 nan 4.420 nan 0.000 0.267 372 P C 0.178 177.496 177.300 0.030 0.000 1.289 372 P CA -0.122 63.021 63.100 0.072 0.000 0.866 372 P CB 0.671 32.413 31.700 0.070 0.000 1.309 373 D N 1.807 122.218 120.400 0.019 0.000 2.228 373 D HA -0.151 4.488 4.640 -0.003 0.000 0.203 373 D C 1.332 177.640 176.300 0.013 0.000 0.988 373 D CA 1.125 55.130 54.000 0.008 0.000 0.864 373 D CB -0.442 40.362 40.800 0.008 0.000 0.928 373 D HN 0.382 nan 8.370 nan 0.000 0.469 374 N N 0.074 118.797 118.700 0.038 0.000 2.461 374 N HA -0.067 4.672 4.740 -0.003 0.000 0.188 374 N C 0.371 175.911 175.510 0.050 0.000 1.134 374 N CA 0.183 53.275 53.050 0.070 0.000 0.878 374 N CB -0.029 38.537 38.487 0.132 0.000 0.972 374 N HN -0.009 nan 8.380 nan 0.000 0.456 375 R N 0.144 120.644 120.500 -0.000 0.000 2.865 375 R HA 0.459 4.797 4.340 -0.003 0.000 0.370 375 R C -0.201 176.121 176.300 0.036 0.000 1.168 375 R CA -0.245 55.834 56.100 -0.034 0.000 1.058 375 R CB 0.679 30.884 30.300 -0.159 0.000 1.419 375 R HN 0.213 nan 8.270 nan 0.000 0.580 376 A N 0.918 123.742 122.820 0.007 0.000 2.346 376 A HA 0.177 4.496 4.320 -0.003 0.000 0.252 376 A C 0.057 177.699 177.584 0.096 0.000 1.089 376 A CA -0.281 51.763 52.037 0.011 0.000 0.797 376 A CB 0.322 19.304 19.000 -0.029 0.000 1.047 376 A HN 0.346 nan 8.150 nan 0.000 0.494 377 K N 1.018 121.452 120.400 0.056 0.000 2.355 377 K HA 0.136 4.454 4.320 -0.003 0.000 0.270 377 K C -0.119 176.514 176.600 0.055 0.000 1.003 377 K CA -0.402 55.932 56.287 0.079 0.000 0.957 377 K CB 0.209 32.718 32.500 0.014 0.000 0.939 377 K HN 0.630 nan 8.250 nan 0.000 0.482 378 M N 6.068 125.700 119.600 0.053 0.000 2.427 378 M HA 0.001 4.480 4.480 -0.003 0.000 0.345 378 M C -1.420 174.716 176.300 -0.273 0.000 1.653 378 M CA -1.587 53.638 55.300 -0.125 0.000 1.138 378 M CB 0.518 32.887 32.600 -0.384 0.000 1.995 378 M HN 0.603 nan 8.290 nan 0.000 0.459 379 P HA -0.067 nan 4.420 nan 0.000 0.217 379 P C 0.025 177.172 177.300 -0.255 0.000 1.150 379 P CA 0.920 63.912 63.100 -0.180 0.000 0.832 379 P CB 0.345 31.983 31.700 -0.104 0.000 0.787 380 S N -2.374 113.084 115.700 -0.403 0.000 2.636 380 S HA 0.480 4.949 4.470 -0.003 0.000 0.268 380 S C -0.937 173.251 174.600 -0.688 0.000 1.159 380 S CA -0.761 57.185 58.200 -0.424 0.000 0.815 380 S CB 0.176 63.288 63.200 -0.145 0.000 1.130 380 S HN -0.127 nan 8.310 nan 0.000 0.471 381 F N 1.573 121.453 119.950 -0.116 0.000 2.908 381 F HA 0.488 5.013 4.527 -0.003 0.000 0.328 381 F C 1.145 176.988 175.800 0.073 0.000 1.211 381 F CA -0.485 57.425 58.000 -0.150 0.000 1.291 381 F CB 0.779 39.535 39.000 -0.406 0.000 0.962 381 F HN 0.640 nan 8.300 nan 0.000 0.505 382 S N 1.031 116.807 115.700 0.127 0.000 2.549 382 S HA 0.128 4.597 4.470 -0.003 0.000 0.283 382 S C 0.982 175.501 174.600 -0.136 0.000 1.320 382 S CA -0.167 58.048 58.200 0.026 0.000 1.058 382 S CB 0.598 63.805 63.200 0.012 0.000 0.882 382 S HN 0.513 nan 8.310 nan 0.000 0.498 383 K N 2.465 122.631 120.400 -0.391 0.000 2.399 383 K HA 0.115 4.434 4.320 -0.003 0.000 0.204 383 K C 1.102 177.286 176.600 -0.693 0.000 1.023 383 K CA 0.187 55.786 56.287 -1.147 0.000 1.127 383 K CB 0.396 32.337 32.500 -0.933 0.000 0.856 383 K HN 0.673 nan 8.250 nan 0.000 0.514 384 S N -0.260 115.270 115.700 -0.284 0.000 2.540 384 S HA -0.030 4.439 4.470 -0.003 0.000 0.218 384 S C 1.015 175.624 174.600 0.015 0.000 0.977 384 S CA -0.448 57.690 58.200 -0.105 0.000 0.918 384 S CB -0.293 62.873 63.200 -0.057 0.000 0.806 384 S HN 0.240 nan 8.310 nan 0.000 0.496 385 T N -0.321 114.281 114.554 0.080 0.000 2.860 385 T HA 0.250 4.598 4.350 -0.003 0.000 0.299 385 T C 1.176 176.016 174.700 0.233 0.000 1.045 385 T CA 0.169 62.397 62.100 0.215 0.000 1.071 385 T CB 0.657 69.733 68.868 0.345 0.000 0.985 385 T HN 0.110 nan 8.240 nan 0.000 0.537 386 T N 1.738 116.444 114.554 0.254 0.000 2.821 386 T HA 0.007 4.355 4.350 -0.003 0.000 0.267 386 T C 2.401 177.212 174.700 0.184 0.000 1.046 386 T CA 1.152 63.373 62.100 0.201 0.000 1.139 386 T CB -0.721 68.257 68.868 0.183 0.000 0.871 386 T HN 0.817 nan 8.240 nan 0.000 0.454 387 A N 0.989 123.926 122.820 0.194 0.000 1.933 387 A HA -0.028 4.290 4.320 -0.003 0.000 0.218 387 A C 1.980 179.584 177.584 0.032 0.000 1.175 387 A CA 1.198 53.237 52.037 0.004 0.000 0.628 387 A CB -0.949 17.839 19.000 -0.353 0.000 0.814 387 A HN 0.468 nan 8.150 nan 0.000 0.444 388 F N 1.015 120.949 119.950 -0.027 0.000 2.134 388 F HA -0.176 4.349 4.527 -0.003 0.000 0.299 388 F C 1.973 177.761 175.800 -0.020 0.000 1.097 388 F CA 1.955 59.942 58.000 -0.021 0.000 1.264 388 F CB -0.442 38.558 39.000 0.001 0.000 1.001 388 F HN 0.290 nan 8.300 nan 0.000 0.479 389 N N -0.338 118.526 118.700 0.272 0.000 2.084 389 N HA -0.182 4.556 4.740 -0.003 0.000 0.190 389 N C 1.855 177.393 175.510 0.047 0.000 1.030 389 N CA 1.831 54.980 53.050 0.165 0.000 0.849 389 N CB -0.322 38.243 38.487 0.130 0.000 1.012 389 N HN 0.129 nan 8.380 nan 0.000 0.423 390 V N 1.016 120.944 119.914 0.023 0.000 2.287 390 V HA -0.234 3.884 4.120 -0.003 0.000 0.248 390 V C 2.016 178.073 176.094 -0.061 0.000 1.053 390 V CA 1.487 63.774 62.300 -0.021 0.000 1.027 390 V CB -0.530 31.279 31.823 -0.022 0.000 0.646 390 V HN 0.341 nan 8.190 nan 0.000 0.447 391 I N 1.074 121.585 120.570 -0.099 0.000 2.202 391 I HA -0.212 3.956 4.170 -0.003 0.000 0.242 391 I C 2.654 178.677 176.117 -0.156 0.000 1.091 391 I CA 1.834 63.048 61.300 -0.142 0.000 1.368 391 I CB -0.582 37.295 38.000 -0.205 0.000 1.058 391 I HN 0.486 nan 8.210 nan 0.000 0.410 392 S N 0.549 116.142 115.700 -0.178 0.000 2.447 392 S HA -0.127 4.341 4.470 -0.003 0.000 0.233 392 S C 1.875 176.435 174.600 -0.066 0.000 1.006 392 S CA 0.822 58.944 58.200 -0.129 0.000 0.957 392 S CB -0.243 62.915 63.200 -0.070 0.000 0.773 392 S HN 0.431 nan 8.310 nan 0.000 0.507 393 K N 0.298 120.666 120.400 -0.053 0.000 2.242 393 K HA 0.350 4.669 4.320 -0.003 0.000 0.200 393 K C 1.819 178.382 176.600 -0.060 0.000 1.050 393 K CA 0.477 56.738 56.287 -0.043 0.000 0.981 393 K CB -0.055 32.428 32.500 -0.029 0.000 0.795 393 K HN 0.340 nan 8.250 nan 0.000 0.477 394 L N -0.011 121.169 121.223 -0.072 0.000 2.298 394 L HA 0.108 4.447 4.340 -0.003 0.000 0.209 394 L C 2.443 179.261 176.870 -0.087 0.000 1.084 394 L CA 0.379 55.171 54.840 -0.080 0.000 0.816 394 L CB -0.353 41.658 42.059 -0.079 0.000 0.967 394 L HN 0.089 nan 8.230 nan 0.000 0.460 395 A N 1.275 124.041 122.820 -0.090 0.000 1.892 395 A HA -0.142 4.177 4.320 -0.003 0.000 0.218 395 A C -0.135 177.389 177.584 -0.100 0.000 1.188 395 A CA 1.762 53.742 52.037 -0.095 0.000 0.631 395 A CB -1.775 17.168 19.000 -0.095 0.000 0.822 395 A HN 0.258 nan 8.150 nan 0.000 0.447 396 P HA -0.090 nan 4.420 nan 0.000 0.222 396 P C 1.215 178.459 177.300 -0.094 0.000 1.147 396 P CA 0.521 63.569 63.100 -0.087 0.000 0.790 396 P CB -0.028 31.631 31.700 -0.068 0.000 0.780 397 L N -0.684 120.483 121.223 -0.093 0.000 2.191 397 L HA -0.117 4.222 4.340 -0.003 0.000 0.212 397 L C 2.242 179.036 176.870 -0.127 0.000 1.103 397 L CA 1.666 56.448 54.840 -0.096 0.000 0.769 397 L CB -0.735 41.271 42.059 -0.088 0.000 0.908 397 L HN -0.087 nan 8.230 nan 0.000 0.438 398 R N -1.096 119.314 120.500 -0.149 0.000 2.189 398 R HA -0.082 4.257 4.340 -0.003 0.000 0.223 398 R C 1.815 177.977 176.300 -0.231 0.000 1.092 398 R CA 0.571 56.547 56.100 -0.206 0.000 0.989 398 R CB -0.048 30.127 30.300 -0.209 0.000 0.876 398 R HN 0.276 nan 8.270 nan 0.000 0.457 399 K N 0.074 120.368 120.400 -0.175 0.000 2.141 399 K HA 0.027 4.346 4.320 -0.003 0.000 0.202 399 K C 2.146 178.669 176.600 -0.130 0.000 1.045 399 K CA 1.389 57.580 56.287 -0.160 0.000 0.971 399 K CB -0.108 32.315 32.500 -0.128 0.000 0.795 399 K HN 0.117 nan 8.250 nan 0.000 0.459 400 S N 0.330 115.966 115.700 -0.106 0.000 2.461 400 S HA -0.036 4.432 4.470 -0.003 0.000 0.228 400 S C 0.801 175.354 174.600 -0.078 0.000 1.005 400 S CA 0.175 58.326 58.200 -0.082 0.000 0.942 400 S CB -0.271 62.889 63.200 -0.066 0.000 0.776 400 S HN 0.255 nan 8.310 nan 0.000 0.514 401 N N 2.025 120.668 118.700 -0.094 0.000 2.483 401 N HA 0.346 5.084 4.740 -0.003 0.000 0.267 401 N C -2.225 173.222 175.510 -0.106 0.000 0.998 401 N CA -2.150 50.856 53.050 -0.073 0.000 0.918 401 N CB 1.847 40.300 38.487 -0.058 0.000 1.215 401 N HN -0.038 nan 8.380 nan 0.000 0.500 402 P HA -0.100 nan 4.420 nan 0.000 0.226 402 P C 0.858 178.092 177.300 -0.110 0.000 1.153 402 P CA 0.641 63.673 63.100 -0.113 0.000 0.777 402 P CB 0.317 32.067 31.700 0.083 0.000 0.794 403 A N 0.381 123.228 122.820 0.045 0.000 1.933 403 A HA -0.124 4.194 4.320 -0.003 0.000 0.218 403 A C 2.306 179.892 177.584 0.002 0.000 1.175 403 A CA 1.192 53.295 52.037 0.110 0.000 0.628 403 A CB -1.378 17.691 19.000 0.115 0.000 0.814 403 A HN 0.141 nan 8.150 nan 0.000 0.444 404 I N -0.803 119.720 120.570 -0.079 0.000 2.406 404 I HA -0.163 4.005 4.170 -0.003 0.000 0.249 404 I C 2.815 178.802 176.117 -0.216 0.000 1.122 404 I CA 0.897 62.127 61.300 -0.116 0.000 1.431 404 I CB -0.169 37.760 38.000 -0.118 0.000 1.087 404 I HN 0.361 nan 8.210 nan 0.000 0.424 405 A N -0.130 122.460 122.820 -0.385 0.000 1.935 405 A HA -0.098 4.220 4.320 -0.003 0.000 0.214 405 A C 1.600 178.775 177.584 -0.681 0.000 1.178 405 A CA 1.293 52.940 52.037 -0.650 0.000 0.640 405 A CB -0.320 18.067 19.000 -1.023 0.000 0.825 405 A HN 0.452 nan 8.150 nan 0.000 0.447 406 Y N -0.814 119.313 120.300 -0.287 0.000 2.432 406 Y HA 0.352 4.901 4.550 -0.003 0.000 0.252 406 Y C 1.621 177.479 175.900 -0.069 0.000 1.097 406 Y CA -0.888 57.042 58.100 -0.284 0.000 1.250 406 Y CB -0.591 37.415 38.460 -0.756 0.000 1.245 406 Y HN 0.223 nan 8.280 nan 0.000 0.522 407 G N 1.055 109.925 108.800 0.116 0.000 2.664 407 G HA2 0.319 4.277 3.960 -0.003 0.000 0.242 407 G HA3 0.319 4.277 3.960 -0.003 0.000 0.242 407 G C 0.374 175.385 174.900 0.185 0.000 1.225 407 G CA 0.030 45.272 45.100 0.237 0.000 0.849 407 G HN 0.259 nan 8.290 nan 0.000 0.581 408 S N -0.928 114.888 115.700 0.192 0.000 2.655 408 S HA 0.686 5.154 4.470 -0.003 0.000 0.265 408 S C -0.029 174.652 174.600 0.136 0.000 1.240 408 S CA -0.464 57.825 58.200 0.149 0.000 0.986 408 S CB 1.583 64.864 63.200 0.136 0.000 0.985 408 S HN 0.619 nan 8.310 nan 0.000 0.562 409 T N 1.296 115.927 114.554 0.128 0.000 2.848 409 T HA 0.557 4.906 4.350 -0.003 0.000 0.285 409 T C -1.076 173.712 174.700 0.147 0.000 0.995 409 T CA -0.550 61.635 62.100 0.141 0.000 0.970 409 T CB 1.430 70.368 68.868 0.117 0.000 0.976 409 T HN 0.699 nan 8.240 nan 0.000 0.441 410 Q N 2.070 121.970 119.800 0.166 0.000 2.305 410 Q HA 0.302 4.640 4.340 -0.003 0.000 0.271 410 Q C -1.114 175.000 176.000 0.189 0.000 1.046 410 Q CA -0.749 55.150 55.803 0.159 0.000 0.798 410 Q CB 1.884 30.697 28.738 0.126 0.000 1.286 410 Q HN 0.614 nan 8.270 nan 0.000 0.435 411 Q N 3.295 123.223 119.800 0.214 0.000 2.313 411 Q HA 0.098 4.437 4.340 -0.003 0.000 0.266 411 Q C -0.268 175.853 176.000 0.203 0.000 0.989 411 Q CA 0.333 56.291 55.803 0.260 0.000 0.890 411 Q CB 0.749 29.679 28.738 0.320 0.000 1.200 411 Q HN 0.686 nan 8.270 nan 0.000 0.396 412 R N 3.079 123.708 120.500 0.214 0.000 2.287 412 R HA 0.165 4.503 4.340 -0.003 0.000 0.197 412 R C -0.464 176.032 176.300 0.326 0.000 0.900 412 R CA 0.436 56.669 56.100 0.221 0.000 1.052 412 R CB 0.643 31.059 30.300 0.193 0.000 1.117 412 R HN 0.708 nan 8.270 nan 0.000 0.568 413 W N -0.063 121.313 121.300 0.127 0.000 3.707 413 W HA 0.580 5.238 4.660 -0.003 0.000 0.294 413 W C -1.607 175.007 176.519 0.159 0.000 1.248 413 W CA -0.536 56.881 57.345 0.120 0.000 1.217 413 W CB 1.307 30.828 29.460 0.100 0.000 1.306 413 W HN -0.169 nan 8.180 nan 0.000 0.532 414 I N 5.505 126.099 120.570 0.040 0.000 2.882 414 I HA 0.462 4.631 4.170 -0.003 0.000 0.298 414 I C -1.631 174.330 176.117 -0.260 0.000 1.462 414 I CA -0.515 60.807 61.300 0.037 0.000 1.000 414 I CB 1.770 39.754 38.000 -0.026 0.000 1.340 414 I HN 0.655 nan 8.210 nan 0.000 0.462 415 N N 3.355 121.918 118.700 -0.229 0.000 3.378 415 N HA 0.214 4.953 4.740 -0.003 0.000 0.294 415 N C -0.133 175.236 175.510 -0.234 0.000 1.544 415 N CA -0.269 52.679 53.050 -0.169 0.000 0.872 415 N CB -0.072 38.425 38.487 0.017 0.000 1.670 415 N HN 0.553 nan 8.380 nan 0.000 0.551 416 N N -0.663 118.049 118.700 0.021 0.000 2.137 416 N HA -0.206 4.532 4.740 -0.003 0.000 0.190 416 N C -0.430 175.046 175.510 -0.056 0.000 1.017 416 N CA 1.898 54.964 53.050 0.026 0.000 0.859 416 N CB -0.306 38.234 38.487 0.088 0.000 1.002 416 N HN 0.585 nan 8.380 nan 0.000 0.428 417 D N -0.312 120.082 120.400 -0.009 0.000 2.479 417 D HA 0.229 4.867 4.640 -0.003 0.000 0.221 417 D C -0.070 176.261 176.300 0.053 0.000 1.104 417 D CA -0.045 53.954 54.000 -0.002 0.000 0.849 417 D CB 1.157 41.975 40.800 0.030 0.000 1.072 417 D HN 0.029 nan 8.370 nan 0.000 0.502 418 V N 1.234 121.222 119.914 0.124 0.000 2.547 418 V HA 0.354 4.472 4.120 -0.003 0.000 0.299 418 V C -1.115 175.179 176.094 0.333 0.000 1.040 418 V CA -0.728 61.713 62.300 0.235 0.000 0.913 418 V CB 2.135 34.140 31.823 0.302 0.000 0.992 418 V HN 0.003 nan 8.190 nan 0.000 0.449 419 Y N 3.517 123.939 120.300 0.203 0.000 2.362 419 Y HA 0.656 5.204 4.550 -0.003 0.000 0.326 419 Y C -0.994 175.106 175.900 0.333 0.000 1.083 419 Y CA -1.279 56.972 58.100 0.252 0.000 1.073 419 Y CB 2.036 40.630 38.460 0.224 0.000 1.211 419 Y HN 0.330 nan 8.280 nan 0.000 0.433 420 V N 8.534 128.573 119.914 0.209 0.000 2.376 420 V HA 0.402 4.520 4.120 -0.003 0.000 0.287 420 V C -1.105 174.946 176.094 -0.071 0.000 1.015 420 V CA -0.771 61.561 62.300 0.053 0.000 0.834 420 V CB 0.663 32.622 31.823 0.228 0.000 1.001 420 V HN 0.605 nan 8.190 nan 0.000 0.428 421 Y N 1.431 121.560 120.300 -0.286 0.000 2.562 421 Y HA 0.860 5.408 4.550 -0.003 0.000 0.343 421 Y C -0.323 175.541 175.900 -0.061 0.000 1.025 421 Y CA -1.474 56.488 58.100 -0.229 0.000 1.082 421 Y CB 1.584 39.808 38.460 -0.392 0.000 1.264 421 Y HN 0.588 nan 8.280 nan 0.000 0.478 422 E N 2.207 122.495 120.200 0.147 0.000 2.210 422 E HA 0.447 4.796 4.350 -0.003 0.000 0.266 422 E C -1.209 175.479 176.600 0.146 0.000 0.883 422 E CA -1.134 55.321 56.400 0.091 0.000 0.761 422 E CB 1.048 30.794 29.700 0.077 0.000 1.156 422 E HN 0.625 nan 8.360 nan 0.000 0.412 423 R N 3.442 124.011 120.500 0.115 0.000 2.346 423 R HA 0.445 4.784 4.340 -0.003 0.000 0.311 423 R C -0.672 175.699 176.300 0.118 0.000 0.983 423 R CA -0.572 55.603 56.100 0.124 0.000 0.880 423 R CB 1.401 31.760 30.300 0.098 0.000 1.100 423 R HN 0.505 nan 8.270 nan 0.000 0.453 424 K N 2.358 122.847 120.400 0.148 0.000 2.513 424 K HA 0.420 4.738 4.320 -0.003 0.000 0.251 424 K C -1.834 174.913 176.600 0.246 0.000 0.939 424 K CA -0.596 55.788 56.287 0.162 0.000 0.793 424 K CB 1.416 33.984 32.500 0.115 0.000 1.241 424 K HN 0.413 nan 8.250 nan 0.000 0.431 425 F N 4.447 124.441 119.950 0.073 0.000 2.828 425 F HA 0.430 4.955 4.527 -0.003 0.000 0.355 425 F C 0.231 176.065 175.800 0.057 0.000 1.200 425 F CA 0.712 58.759 58.000 0.078 0.000 1.062 425 F CB 1.110 40.178 39.000 0.113 0.000 1.351 425 F HN 0.854 nan 8.300 nan 0.000 0.504 426 G N 5.518 114.096 108.800 -0.370 0.000 2.536 426 G HA2 -0.356 3.602 3.960 -0.003 0.000 0.280 426 G HA3 -0.356 3.602 3.960 -0.003 0.000 0.280 426 G C 0.729 175.591 174.900 -0.064 0.000 1.152 426 G CA 0.414 45.339 45.100 -0.291 0.000 0.970 426 G HN 0.668 nan 8.290 nan 0.000 0.549 427 K N 0.685 121.082 120.400 -0.006 0.000 2.393 427 K HA 0.326 4.644 4.320 -0.003 0.000 0.193 427 K C 0.898 177.604 176.600 0.177 0.000 1.026 427 K CA 0.538 56.883 56.287 0.096 0.000 1.064 427 K CB 0.271 32.838 32.500 0.113 0.000 0.833 427 K HN 0.258 nan 8.250 nan 0.000 0.521 428 S N 1.168 116.944 115.700 0.127 0.000 2.523 428 S HA 0.284 4.753 4.470 -0.003 0.000 0.275 428 S C -0.241 174.459 174.600 0.167 0.000 1.281 428 S CA -0.580 57.698 58.200 0.131 0.000 1.050 428 S CB 1.400 64.670 63.200 0.116 0.000 0.937 428 S HN -0.116 nan 8.310 nan 0.000 0.492 429 V N 1.392 121.411 119.914 0.175 0.000 3.040 429 V HA 0.936 5.054 4.120 -0.003 0.000 0.312 429 V C -0.473 175.672 176.094 0.084 0.000 1.115 429 V CA -0.898 61.480 62.300 0.129 0.000 0.998 429 V CB 2.056 33.947 31.823 0.114 0.000 1.042 429 V HN 0.941 nan 8.190 nan 0.000 0.433 430 A N 2.213 125.060 122.820 0.046 0.000 2.437 430 A HA 0.839 5.157 4.320 -0.003 0.000 0.293 430 A C -1.503 176.064 177.584 -0.029 0.000 1.038 430 A CA -0.453 51.587 52.037 0.005 0.000 0.708 430 A CB 1.841 20.835 19.000 -0.010 0.000 1.251 430 A HN 0.716 nan 8.150 nan 0.000 0.409 431 V N 2.786 122.678 119.914 -0.037 0.000 2.487 431 V HA 0.568 4.687 4.120 -0.003 0.000 0.298 431 V C -0.465 175.514 176.094 -0.192 0.000 1.028 431 V CA -0.542 61.727 62.300 -0.051 0.000 0.860 431 V CB 1.645 33.535 31.823 0.112 0.000 0.991 431 V HN 0.715 nan 8.190 nan 0.000 0.427 432 V N 3.638 123.261 119.914 -0.485 0.000 2.495 432 V HA 0.860 4.978 4.120 -0.003 0.000 0.298 432 V C 0.211 176.010 176.094 -0.492 0.000 1.031 432 V CA -0.565 61.354 62.300 -0.635 0.000 0.871 432 V CB 1.759 33.041 31.823 -0.901 0.000 0.988 432 V HN 0.977 nan 8.190 nan 0.000 0.432 433 A N 4.500 127.138 122.820 -0.303 0.000 2.318 433 A HA 0.899 5.217 4.320 -0.003 0.000 0.317 433 A C -0.939 176.661 177.584 0.027 0.000 1.159 433 A CA -0.544 51.473 52.037 -0.034 0.000 0.799 433 A CB 1.554 20.660 19.000 0.176 0.000 1.194 433 A HN 0.705 nan 8.150 nan 0.000 0.479 434 V N 2.722 122.736 119.914 0.168 0.000 2.588 434 V HA 0.460 4.579 4.120 -0.003 0.000 0.304 434 V C -0.691 175.541 176.094 0.230 0.000 1.042 434 V CA -0.791 61.651 62.300 0.237 0.000 0.877 434 V CB 2.044 34.116 31.823 0.414 0.000 0.996 434 V HN 0.884 nan 8.190 nan 0.000 0.425 435 N N 3.314 122.125 118.700 0.186 0.000 2.626 435 N HA 0.279 5.017 4.740 -0.003 0.000 0.249 435 N C 0.975 176.578 175.510 0.155 0.000 1.021 435 N CA -0.740 52.398 53.050 0.147 0.000 0.886 435 N CB 1.284 39.832 38.487 0.103 0.000 1.149 435 N HN 0.725 nan 8.380 nan 0.000 0.517 436 R N 1.906 122.497 120.500 0.151 0.000 2.280 436 R HA 0.046 4.384 4.340 -0.003 0.000 0.207 436 R C 0.237 176.599 176.300 0.103 0.000 1.043 436 R CA 0.197 56.391 56.100 0.156 0.000 1.006 436 R CB -0.122 30.213 30.300 0.059 0.000 0.885 436 R HN 0.271 nan 8.270 nan 0.000 0.467 437 N N 1.727 120.472 118.700 0.076 0.000 2.438 437 N HA -0.034 4.704 4.740 -0.003 0.000 0.267 437 N C 0.451 176.001 175.510 0.066 0.000 1.222 437 N CA 0.088 53.173 53.050 0.059 0.000 0.930 437 N CB 0.863 39.380 38.487 0.050 0.000 1.083 437 N HN 0.275 nan 8.380 nan 0.000 0.476 438 L N 2.551 123.811 121.223 0.061 0.000 2.552 438 L HA -0.054 4.285 4.340 -0.003 0.000 0.227 438 L C 1.778 178.676 176.870 0.047 0.000 1.146 438 L CA 0.469 55.345 54.840 0.059 0.000 0.858 438 L CB -0.096 41.998 42.059 0.059 0.000 0.969 438 L HN 0.592 nan 8.230 nan 0.000 0.451 439 S N -3.905 111.819 115.700 0.041 0.000 2.631 439 S HA 0.146 4.615 4.470 -0.003 0.000 0.246 439 S C 0.713 175.332 174.600 0.032 0.000 1.068 439 S CA -0.356 57.864 58.200 0.034 0.000 0.995 439 S CB 0.444 63.661 63.200 0.028 0.000 0.944 439 S HN 0.114 nan 8.310 nan 0.000 0.529 440 T N 3.315 117.890 114.554 0.035 0.000 2.807 440 T HA 0.658 5.007 4.350 -0.003 0.000 0.279 440 T C -0.098 174.622 174.700 0.032 0.000 0.993 440 T CA -0.457 61.662 62.100 0.031 0.000 0.970 440 T CB 1.677 70.563 68.868 0.031 0.000 0.950 440 T HN 0.486 nan 8.240 nan 0.000 0.441 441 S N 1.815 117.530 115.700 0.025 0.000 2.632 441 S HA 0.751 5.220 4.470 -0.003 0.000 0.267 441 S C -0.103 174.497 174.600 -0.000 0.000 1.276 441 S CA -0.943 57.267 58.200 0.017 0.000 0.998 441 S CB 0.913 64.123 63.200 0.016 0.000 0.953 441 S HN 0.971 nan 8.310 nan 0.000 0.547 442 A N 1.040 123.839 122.820 -0.035 0.000 2.330 442 A HA 0.660 4.978 4.320 -0.003 0.000 0.313 442 A C -0.056 177.416 177.584 -0.187 0.000 1.124 442 A CA -0.678 51.314 52.037 -0.076 0.000 0.774 442 A CB 1.317 20.275 19.000 -0.071 0.000 1.198 442 A HN 0.886 nan 8.150 nan 0.000 0.465 443 S N 3.347 118.955 115.700 -0.153 0.000 2.405 443 S HA 0.415 4.883 4.470 -0.003 0.000 0.291 443 S C -0.010 174.387 174.600 -0.338 0.000 1.137 443 S CA -0.489 57.585 58.200 -0.210 0.000 1.061 443 S CB -0.655 62.491 63.200 -0.091 0.000 1.001 443 S HN 0.451 nan 8.310 nan 0.000 0.507 444 I N 5.847 126.019 120.570 -0.664 0.000 2.325 444 I HA 0.321 4.490 4.170 -0.003 0.000 0.291 444 I C 0.789 176.609 176.117 -0.494 0.000 1.019 444 I CA -0.168 60.589 61.300 -0.905 0.000 1.302 444 I CB 0.518 37.612 38.000 -1.510 0.000 1.401 444 I HN 0.655 nan 8.210 nan 0.000 0.485 445 T N 0.434 114.891 114.554 -0.162 0.000 2.900 445 T HA 0.647 4.996 4.350 -0.003 0.000 0.295 445 T C 0.539 175.354 174.700 0.191 0.000 1.044 445 T CA -0.239 61.874 62.100 0.022 0.000 0.995 445 T CB 1.978 70.883 68.868 0.061 0.000 1.072 445 T HN 1.043 nan 8.240 nan 0.000 0.473 446 G N 1.311 110.196 108.800 0.141 0.000 2.176 446 G HA2 -0.187 3.771 3.960 -0.003 0.000 0.252 446 G HA3 -0.187 3.771 3.960 -0.003 0.000 0.252 446 G C -0.050 174.988 174.900 0.229 0.000 1.024 446 G CA 0.035 45.239 45.100 0.174 0.000 0.755 446 G HN 0.978 nan 8.290 nan 0.000 0.507 447 L N 1.252 122.588 121.223 0.188 0.000 2.361 447 L HA 0.572 4.910 4.340 -0.003 0.000 0.278 447 L C 0.257 177.204 176.870 0.128 0.000 1.113 447 L CA 0.224 55.186 54.840 0.203 0.000 0.849 447 L CB 1.215 43.345 42.059 0.119 0.000 1.155 447 L HN 0.226 nan 8.230 nan 0.000 0.452 448 S N 3.408 119.190 115.700 0.136 0.000 2.473 448 S HA 0.749 5.217 4.470 -0.003 0.000 0.307 448 S C -0.217 174.420 174.600 0.062 0.000 1.094 448 S CA -0.349 57.898 58.200 0.077 0.000 1.070 448 S CB 1.367 64.613 63.200 0.077 0.000 1.019 448 S HN 0.829 nan 8.310 nan 0.000 0.480 449 T N 0.841 115.404 114.554 0.016 0.000 2.716 449 T HA 0.528 4.877 4.350 -0.003 0.000 0.286 449 T C 0.232 174.921 174.700 -0.019 0.000 1.052 449 T CA -0.638 61.461 62.100 -0.001 0.000 1.024 449 T CB 1.114 69.954 68.868 -0.045 0.000 1.349 449 T HN 0.283 nan 8.240 nan 0.000 0.525 450 S N -0.026 115.659 115.700 -0.024 0.000 2.572 450 S HA 0.345 4.813 4.470 -0.003 0.000 0.228 450 S C 0.415 174.972 174.600 -0.071 0.000 0.963 450 S CA -0.495 57.690 58.200 -0.025 0.000 0.939 450 S CB -0.679 62.527 63.200 0.010 0.000 0.804 450 S HN 0.443 nan 8.310 nan 0.000 0.480 451 L N 3.096 124.239 121.223 -0.133 0.000 2.410 451 L HA 0.259 4.598 4.340 -0.003 0.000 0.273 451 L C -2.363 174.408 176.870 -0.164 0.000 1.144 451 L CA -1.921 52.777 54.840 -0.236 0.000 0.863 451 L CB 0.283 42.050 42.059 -0.487 0.000 1.140 451 L HN -0.056 nan 8.230 nan 0.000 0.463 452 P HA 0.039 nan 4.420 nan 0.000 0.272 452 P C -0.511 176.764 177.300 -0.041 0.000 1.240 452 P CA -0.371 62.609 63.100 -0.200 0.000 0.791 452 P CB 0.374 31.791 31.700 -0.472 0.000 0.978 453 T N 1.321 115.842 114.554 -0.054 0.000 2.871 453 T HA 0.421 4.770 4.350 -0.003 0.000 0.296 453 T C 0.531 175.195 174.700 -0.060 0.000 0.998 453 T CA 0.946 63.028 62.100 -0.031 0.000 1.162 453 T CB -0.585 68.257 68.868 -0.044 0.000 0.947 453 T HN 0.761 nan 8.240 nan 0.000 0.536 454 G N 1.752 110.508 108.800 -0.074 0.000 2.337 454 G HA2 0.389 4.347 3.960 -0.003 0.000 0.298 454 G HA3 0.389 4.347 3.960 -0.003 0.000 0.298 454 G C -1.262 173.439 174.900 -0.330 0.000 1.335 454 G CA -0.986 43.969 45.100 -0.242 0.000 0.875 454 G HN 0.590 nan 8.290 nan 0.000 0.579 455 S N -0.167 115.277 115.700 -0.427 0.000 2.442 455 S HA 0.678 5.146 4.470 -0.003 0.000 0.297 455 S C -1.255 173.042 174.600 -0.506 0.000 1.131 455 S CA -0.235 57.768 58.200 -0.329 0.000 1.092 455 S CB 0.712 63.800 63.200 -0.188 0.000 0.998 455 S HN 0.409 nan 8.310 nan 0.000 0.478 456 Y N 1.138 121.373 120.300 -0.108 0.000 2.352 456 Y HA 0.398 4.946 4.550 -0.003 0.000 0.339 456 Y C 0.934 176.875 175.900 0.067 0.000 0.992 456 Y CA -0.710 57.375 58.100 -0.025 0.000 1.100 456 Y CB 1.395 39.816 38.460 -0.065 0.000 1.192 456 Y HN 0.404 nan 8.280 nan 0.000 0.458 457 T N 2.219 116.937 114.554 0.273 0.000 2.907 457 T HA 0.088 4.436 4.350 -0.003 0.000 0.284 457 T C -0.694 174.193 174.700 0.312 0.000 1.004 457 T CA -0.701 61.539 62.100 0.233 0.000 1.063 457 T CB 0.663 69.600 68.868 0.115 0.000 0.992 457 T HN 0.510 nan 8.240 nan 0.000 0.483 458 D N 1.897 122.429 120.400 0.220 0.000 2.401 458 D HA 0.030 4.669 4.640 -0.003 0.000 0.254 458 D C 1.155 177.437 176.300 -0.031 0.000 1.192 458 D CA -0.138 53.862 54.000 -0.001 0.000 0.885 458 D CB 0.712 41.495 40.800 -0.028 0.000 1.147 458 D HN 0.161 nan 8.370 nan 0.000 0.478 459 V N 4.459 124.318 119.914 -0.092 0.000 2.594 459 V HA -0.206 3.912 4.120 -0.003 0.000 0.253 459 V C 2.194 178.251 176.094 -0.062 0.000 1.069 459 V CA 1.275 63.540 62.300 -0.059 0.000 1.082 459 V CB -0.474 31.302 31.823 -0.080 0.000 0.680 459 V HN 0.646 nan 8.190 nan 0.000 0.469 460 L N 0.158 121.326 121.223 -0.093 0.000 2.554 460 L HA 0.213 4.552 4.340 -0.003 0.000 0.226 460 L C 1.869 178.721 176.870 -0.029 0.000 1.137 460 L CA 0.865 55.666 54.840 -0.064 0.000 0.863 460 L CB -0.529 41.479 42.059 -0.085 0.000 0.985 460 L HN 0.529 nan 8.230 nan 0.000 0.451 461 G N -0.144 108.644 108.800 -0.019 0.000 2.168 461 G HA2 -0.277 3.681 3.960 -0.003 0.000 0.257 461 G HA3 -0.277 3.681 3.960 -0.003 0.000 0.257 461 G C 0.962 175.869 174.900 0.011 0.000 0.997 461 G CA 0.274 45.377 45.100 0.005 0.000 0.708 461 G HN 0.695 nan 8.290 nan 0.000 0.520 462 G N -2.310 106.491 108.800 0.002 0.000 2.157 462 G HA2 -0.083 3.875 3.960 -0.003 0.000 0.248 462 G HA3 -0.083 3.875 3.960 -0.003 0.000 0.248 462 G C 1.841 176.751 174.900 0.016 0.000 0.979 462 G CA 1.732 46.841 45.100 0.014 0.000 0.650 462 G HN 2.146 nan 8.290 nan 0.000 0.529 463 V N -1.661 118.260 119.914 0.011 0.000 2.594 463 V HA 0.198 4.317 4.120 -0.003 0.000 0.253 463 V C 1.906 178.015 176.094 0.026 0.000 1.069 463 V CA 2.041 64.355 62.300 0.023 0.000 1.082 463 V CB -0.336 31.503 31.823 0.027 0.000 0.680 463 V HN 0.442 nan 8.190 nan 0.000 0.469 464 L N 1.402 122.633 121.223 0.013 0.000 3.034 464 L HA 0.432 4.770 4.340 -0.003 0.000 0.245 464 L C 0.428 177.312 176.870 0.024 0.000 1.295 464 L CA -0.172 54.679 54.840 0.019 0.000 1.068 464 L CB -0.594 41.467 42.059 0.005 0.000 1.426 464 L HN 0.421 nan 8.230 nan 0.000 0.531 465 N N 0.506 119.224 118.700 0.030 0.000 2.725 465 N HA -0.144 4.594 4.740 -0.003 0.000 0.249 465 N C 0.604 176.144 175.510 0.050 0.000 1.103 465 N CA 0.935 54.011 53.050 0.043 0.000 0.707 465 N CB -1.001 37.517 38.487 0.051 0.000 1.043 465 N HN 0.586 nan 8.380 nan 0.000 0.553 466 G N 0.418 109.233 108.800 0.025 0.000 2.599 466 G HA2 0.415 4.373 3.960 -0.003 0.000 0.264 466 G HA3 0.415 4.373 3.960 -0.003 0.000 0.264 466 G C 0.463 175.417 174.900 0.090 0.000 1.200 466 G CA -0.253 44.861 45.100 0.022 0.000 0.896 466 G HN 0.469 nan 8.290 nan 0.000 0.536 467 N N -0.633 118.175 118.700 0.180 0.000 2.629 467 N HA 0.252 4.990 4.740 -0.003 0.000 0.279 467 N C -1.302 174.391 175.510 0.306 0.000 1.344 467 N CA -0.896 52.274 53.050 0.200 0.000 0.789 467 N CB 1.320 39.921 38.487 0.191 0.000 1.508 467 N HN 0.333 nan 8.380 nan 0.000 0.516 468 N N -0.126 118.665 118.700 0.152 0.000 2.492 468 N HA 0.556 5.294 4.740 -0.003 0.000 0.289 468 N C -0.125 175.270 175.510 -0.192 0.000 1.133 468 N CA -0.409 52.697 53.050 0.093 0.000 0.961 468 N CB 1.636 40.153 38.487 0.050 0.000 1.186 468 N HN 0.632 nan 8.380 nan 0.000 0.493 469 I N -3.063 117.261 120.570 -0.409 0.000 3.206 469 I HA 0.678 4.846 4.170 -0.003 0.000 0.313 469 I C -0.690 175.245 176.117 -0.303 0.000 1.103 469 I CA -0.739 60.211 61.300 -0.584 0.000 0.985 469 I CB 2.369 39.648 38.000 -1.200 0.000 1.240 469 I HN 0.118 nan 8.210 nan 0.000 0.464 470 T N 1.478 115.883 114.554 -0.248 0.000 2.879 470 T HA 0.418 4.766 4.350 -0.003 0.000 0.290 470 T C -0.667 173.979 174.700 -0.089 0.000 0.993 470 T CA -0.506 61.523 62.100 -0.119 0.000 0.975 470 T CB 1.482 70.293 68.868 -0.096 0.000 0.981 470 T HN 0.703 nan 8.240 nan 0.000 0.439 471 S N 1.741 117.440 115.700 -0.002 0.000 2.549 471 S HA 0.701 5.170 4.470 -0.003 0.000 0.297 471 S C -0.489 174.104 174.600 -0.011 0.000 1.115 471 S CA -0.517 57.681 58.200 -0.002 0.000 1.059 471 S CB 0.702 63.945 63.200 0.072 0.000 1.046 471 S HN 0.693 nan 8.310 nan 0.000 0.506 472 T N 3.702 118.243 114.554 -0.022 0.000 3.209 472 T HA 0.390 4.738 4.350 -0.003 0.000 0.366 472 T C -0.489 174.198 174.700 -0.021 0.000 1.293 472 T CA -0.698 61.389 62.100 -0.022 0.000 1.417 472 T CB -0.652 68.204 68.868 -0.020 0.000 1.013 472 T HN 0.860 nan 8.240 nan 0.000 0.572 473 N N 1.664 120.349 118.700 -0.025 0.000 2.758 473 N HA -0.204 4.534 4.740 -0.003 0.000 0.248 473 N C 1.205 176.700 175.510 -0.026 0.000 1.076 473 N CA 0.870 53.903 53.050 -0.027 0.000 0.696 473 N CB -1.156 37.320 38.487 -0.019 0.000 0.979 473 N HN 1.067 nan 8.380 nan 0.000 0.550 474 G N -1.815 106.964 108.800 -0.036 0.000 2.399 474 G HA2 -0.325 3.634 3.960 -0.003 0.000 0.216 474 G HA3 -0.325 3.634 3.960 -0.003 0.000 0.216 474 G C 0.167 175.048 174.900 -0.031 0.000 1.096 474 G CA 0.086 45.163 45.100 -0.038 0.000 0.650 474 G HN 0.485 nan 8.290 nan 0.000 0.512 475 S N 2.648 118.339 115.700 -0.015 0.000 2.481 475 S HA 0.472 4.940 4.470 -0.003 0.000 0.282 475 S C 0.605 175.191 174.600 -0.023 0.000 1.243 475 S CA -0.061 58.137 58.200 -0.004 0.000 1.078 475 S CB 0.300 63.503 63.200 0.006 0.000 0.916 475 S HN 0.377 nan 8.310 nan 0.000 0.495 476 I N 4.138 124.692 120.570 -0.025 0.000 2.396 476 I HA 0.228 4.396 4.170 -0.003 0.000 0.292 476 I C 0.640 176.755 176.117 -0.003 0.000 0.999 476 I CA -0.777 60.485 61.300 -0.064 0.000 1.310 476 I CB 0.339 38.273 38.000 -0.109 0.000 1.404 476 I HN 0.426 nan 8.210 nan 0.000 0.496 477 N N 4.725 123.411 118.700 -0.023 0.000 2.453 477 N HA 0.050 4.788 4.740 -0.003 0.000 0.253 477 N C -0.074 175.503 175.510 0.112 0.000 1.252 477 N CA -0.182 52.880 53.050 0.021 0.000 0.917 477 N CB 0.196 38.678 38.487 -0.007 0.000 1.117 477 N HN 0.382 nan 8.380 nan 0.000 0.442 478 N N 0.998 119.751 118.700 0.088 0.000 2.412 478 N HA 0.095 4.833 4.740 -0.003 0.000 0.258 478 N C -0.447 175.162 175.510 0.164 0.000 1.236 478 N CA 0.400 53.497 53.050 0.079 0.000 0.882 478 N CB -0.207 38.290 38.487 0.016 0.000 1.066 478 N HN 0.431 nan 8.380 nan 0.000 0.465 479 F N -2.212 117.681 119.950 -0.095 0.000 2.662 479 F HA 0.570 5.095 4.527 -0.003 0.000 0.312 479 F C -0.553 175.204 175.800 -0.072 0.000 1.113 479 F CA -1.123 56.831 58.000 -0.077 0.000 0.951 479 F CB 0.854 39.802 39.000 -0.088 0.000 1.344 479 F HN 0.038 nan 8.300 nan 0.000 0.462 480 T N 3.348 117.924 114.554 0.036 0.000 2.749 480 T HA 0.474 4.823 4.350 -0.003 0.000 0.287 480 T C -0.982 173.755 174.700 0.062 0.000 0.970 480 T CA -0.268 61.794 62.100 -0.063 0.000 0.980 480 T CB 1.033 69.903 68.868 0.003 0.000 0.924 480 T HN 0.661 nan 8.240 nan 0.000 0.456 481 L N 4.693 125.878 121.223 -0.064 0.000 2.295 481 L HA 0.616 4.954 4.340 -0.003 0.000 0.288 481 L C 0.636 177.541 176.870 0.059 0.000 1.079 481 L CA -0.361 54.531 54.840 0.086 0.000 0.830 481 L CB -0.509 41.556 42.059 0.009 0.000 1.200 481 L HN 0.788 nan 8.230 nan 0.000 0.438 482 A N 4.445 127.321 122.820 0.093 0.000 2.475 482 A HA 0.516 4.834 4.320 -0.003 0.000 0.239 482 A C 0.595 178.216 177.584 0.061 0.000 1.087 482 A CA 0.186 52.263 52.037 0.068 0.000 0.779 482 A CB -0.152 18.892 19.000 0.073 0.000 1.036 482 A HN 1.098 nan 8.150 nan 0.000 0.506 483 A N -0.010 122.841 122.820 0.053 0.000 2.520 483 A HA 0.472 4.791 4.320 -0.003 0.000 0.245 483 A C 1.671 179.295 177.584 0.066 0.000 1.072 483 A CA 0.739 52.809 52.037 0.055 0.000 0.761 483 A CB -1.004 18.024 19.000 0.047 0.000 1.004 483 A HN 2.768 nan 8.150 nan 0.000 0.499 484 G N 0.796 109.643 108.800 0.079 0.000 2.180 484 G HA2 0.082 4.040 3.960 -0.003 0.000 0.263 484 G HA3 0.082 4.040 3.960 -0.003 0.000 0.263 484 G C 0.633 175.586 174.900 0.090 0.000 0.989 484 G CA 0.826 45.982 45.100 0.093 0.000 0.692 484 G HN 2.141 nan 8.290 nan 0.000 0.526 485 A N -0.858 122.012 122.820 0.085 0.000 2.332 485 A HA 0.854 5.173 4.320 -0.003 0.000 0.258 485 A C 0.672 178.299 177.584 0.072 0.000 1.087 485 A CA 1.024 53.105 52.037 0.074 0.000 0.802 485 A CB 1.030 20.081 19.000 0.086 0.000 1.042 485 A HN 1.880 nan 8.150 nan 0.000 0.489 486 T N -0.859 113.709 114.554 0.023 0.000 3.578 486 T HA 0.587 4.935 4.350 -0.003 0.000 0.343 486 T C -0.918 173.694 174.700 -0.146 0.000 1.126 486 T CA 0.313 62.398 62.100 -0.026 0.000 1.092 486 T CB 0.424 69.302 68.868 0.016 0.000 1.160 486 T HN 2.002 nan 8.240 nan 0.000 0.469 487 A N 3.534 126.157 122.820 -0.328 0.000 2.413 487 A HA 0.919 5.237 4.320 -0.003 0.000 0.307 487 A C -1.045 175.972 177.584 -0.944 0.000 1.087 487 A CA -0.742 50.912 52.037 -0.637 0.000 0.750 487 A CB 2.127 20.650 19.000 -0.796 0.000 1.296 487 A HN 0.992 nan 8.150 nan 0.000 0.423 488 V N 1.723 121.091 119.914 -0.910 0.000 2.483 488 V HA 0.504 4.623 4.120 -0.003 0.000 0.297 488 V C -1.227 174.450 176.094 -0.696 0.000 1.027 488 V CA -0.494 61.379 62.300 -0.711 0.000 0.855 488 V CB 1.340 32.953 31.823 -0.350 0.000 0.995 488 V HN 0.817 nan 8.190 nan 0.000 0.424 489 W N 4.197 125.429 121.300 -0.113 0.000 2.656 489 W HA 0.718 5.377 4.660 -0.003 0.000 0.327 489 W C -0.205 176.242 176.519 -0.120 0.000 1.041 489 W CA -0.643 56.640 57.345 -0.104 0.000 1.229 489 W CB 2.062 31.409 29.460 -0.189 0.000 1.397 489 W HN 0.733 nan 8.180 nan 0.000 0.479 490 Q N 1.393 121.296 119.800 0.171 0.000 2.544 490 Q HA 0.746 5.085 4.340 -0.003 0.000 0.291 490 Q C -2.080 174.074 176.000 0.257 0.000 1.068 490 Q CA -1.132 54.745 55.803 0.123 0.000 0.785 490 Q CB 3.424 32.204 28.738 0.070 0.000 1.481 490 Q HN 0.337 nan 8.270 nan 0.000 0.430 491 Y N 0.516 120.863 120.300 0.078 0.000 2.358 491 Y HA 0.543 5.092 4.550 -0.003 0.000 0.324 491 Y C -1.814 174.137 175.900 0.085 0.000 1.123 491 Y CA -0.142 58.040 58.100 0.137 0.000 1.067 491 Y CB 2.210 40.761 38.460 0.152 0.000 1.230 491 Y HN 0.936 nan 8.280 nan 0.000 0.429 492 T N 1.971 116.177 114.554 -0.580 0.000 2.876 492 T HA 0.787 5.136 4.350 -0.003 0.000 0.289 492 T C -0.693 173.650 174.700 -0.594 0.000 1.014 492 T CA -0.781 61.050 62.100 -0.448 0.000 0.986 492 T CB 2.078 70.835 68.868 -0.185 0.000 1.021 492 T HN 0.723 nan 8.240 nan 0.000 0.458 493 T N 0.095 114.434 114.554 -0.358 0.000 2.792 493 T HA 0.697 5.045 4.350 -0.003 0.000 0.303 493 T C -0.969 173.678 174.700 -0.088 0.000 1.310 493 T CA -0.245 61.725 62.100 -0.217 0.000 1.007 493 T CB 1.263 70.039 68.868 -0.153 0.000 1.335 493 T HN 1.190 nan 8.240 nan 0.000 0.504 494 A N 2.056 124.847 122.820 -0.049 0.000 2.371 494 A HA 0.641 4.959 4.320 -0.003 0.000 0.257 494 A C -0.001 177.573 177.584 -0.017 0.000 1.089 494 A CA -0.285 51.736 52.037 -0.027 0.000 0.794 494 A CB 0.200 19.189 19.000 -0.019 0.000 1.029 494 A HN 0.704 nan 8.150 nan 0.000 0.488 495 E N 0.725 120.909 120.200 -0.026 0.000 2.231 495 E HA 0.307 4.655 4.350 -0.003 0.000 0.277 495 E C 0.709 177.296 176.600 -0.023 0.000 0.999 495 E CA 0.271 56.650 56.400 -0.036 0.000 0.827 495 E CB 1.459 31.115 29.700 -0.073 0.000 1.101 495 E HN 0.757 nan 8.360 nan 0.000 0.393 496 T N -2.184 112.364 114.554 -0.011 0.000 3.034 496 T HA 0.018 4.366 4.350 -0.003 0.000 0.248 496 T C 1.007 175.719 174.700 0.021 0.000 1.040 496 T CA 0.100 62.206 62.100 0.010 0.000 1.107 496 T CB -0.033 68.844 68.868 0.014 0.000 0.932 496 T HN 0.448 nan 8.240 nan 0.000 0.474 497 T N 1.204 115.760 114.554 0.004 0.000 2.907 497 T HA 0.586 4.934 4.350 -0.003 0.000 0.284 497 T C -3.188 171.520 174.700 0.013 0.000 1.004 497 T CA -2.329 59.783 62.100 0.021 0.000 1.063 497 T CB 1.262 70.132 68.868 0.004 0.000 0.992 497 T HN -0.103 nan 8.240 nan 0.000 0.483 498 P HA 0.313 nan 4.420 nan 0.000 0.271 498 P C -0.729 176.610 177.300 0.066 0.000 1.220 498 P CA -0.165 63.028 63.100 0.155 0.000 0.768 498 P CB 0.379 32.267 31.700 0.313 0.000 0.848 499 T N 3.824 118.366 114.554 -0.021 0.000 3.031 499 T HA 0.436 4.785 4.350 -0.003 0.000 0.305 499 T C 0.030 174.793 174.700 0.105 0.000 0.985 499 T CA -0.425 61.642 62.100 -0.054 0.000 1.008 499 T CB 0.445 69.091 68.868 -0.370 0.000 1.005 499 T HN 0.165 nan 8.240 nan 0.000 0.444 500 I N 2.589 123.285 120.570 0.209 0.000 2.396 500 I HA 0.373 4.542 4.170 -0.003 0.000 0.289 500 I C 1.372 177.632 176.117 0.238 0.000 1.056 500 I CA -0.014 61.415 61.300 0.215 0.000 1.365 500 I CB 1.174 39.264 38.000 0.149 0.000 1.407 500 I HN 0.912 nan 8.210 nan 0.000 0.509 501 G N 5.079 113.827 108.800 -0.087 0.000 2.709 501 G HA2 0.031 3.989 3.960 -0.003 0.000 0.208 501 G HA3 0.031 3.989 3.960 -0.003 0.000 0.208 501 G C 0.354 175.168 174.900 -0.143 0.000 1.129 501 G CA 0.307 45.180 45.100 -0.378 0.000 0.793 501 G HN 0.638 nan 8.290 nan 0.000 0.524 502 H N -1.109 117.705 119.070 -0.427 0.000 3.094 502 H HA 0.459 5.013 4.556 -0.003 0.000 0.346 502 H C -2.168 172.808 175.328 -0.586 0.000 1.238 502 H CA -0.304 55.526 56.048 -0.364 0.000 1.209 502 H CB 2.239 31.978 29.762 -0.039 0.000 1.911 502 H HN -0.105 nan 8.280 nan 0.000 0.540 503 V N 2.633 121.798 119.914 -1.247 0.000 2.577 503 V HA 0.610 4.728 4.120 -0.003 0.000 0.303 503 V C 0.086 175.877 176.094 -0.505 0.000 1.042 503 V CA -0.236 61.635 62.300 -0.715 0.000 0.872 503 V CB 1.629 33.056 31.823 -0.660 0.000 0.998 503 V HN 0.861 nan 8.190 nan 0.000 0.423 504 G N 5.539 114.258 108.800 -0.134 0.000 2.719 504 G HA2 0.765 4.723 3.960 -0.003 0.000 0.298 504 G HA3 0.765 4.723 3.960 -0.003 0.000 0.298 504 G C -3.220 171.668 174.900 -0.020 0.000 1.433 504 G CA -1.266 43.839 45.100 0.008 0.000 1.034 504 G HN 0.475 nan 8.290 nan 0.000 0.517 505 P HA 0.272 nan 4.420 nan 0.000 0.293 505 P C 0.813 177.971 177.300 -0.237 0.000 1.304 505 P CA -0.315 62.581 63.100 -0.340 0.000 0.767 505 P CB 1.664 32.714 31.700 -1.083 0.000 1.247 506 V N -3.943 115.767 119.914 -0.340 0.000 3.271 506 V HA 0.473 4.591 4.120 -0.003 0.000 0.327 506 V C 0.486 176.025 176.094 -0.926 0.000 1.389 506 V CA 0.195 62.173 62.300 -0.537 0.000 1.156 506 V CB -0.761 30.950 31.823 -0.186 0.000 1.103 506 V HN 0.431 nan 8.190 nan 0.000 0.453 507 M N 0.763 119.937 119.600 -0.711 0.000 2.421 507 M HA 0.779 5.258 4.480 -0.003 0.000 0.287 507 M C -0.640 175.541 176.300 -0.199 0.000 1.183 507 M CA 0.143 55.178 55.300 -0.442 0.000 0.916 507 M CB 2.216 34.731 32.600 -0.141 0.000 1.701 507 M HN 0.416 nan 8.290 nan 0.000 0.470 508 G N 3.045 111.817 108.800 -0.047 0.000 2.387 508 G HA2 0.343 4.301 3.960 -0.003 0.000 0.294 508 G HA3 0.343 4.301 3.960 -0.003 0.000 0.294 508 G C -2.389 172.563 174.900 0.086 0.000 1.509 508 G CA -0.984 44.160 45.100 0.073 0.000 0.806 508 G HN 0.903 nan 8.290 nan 0.000 0.546 509 K N -0.262 120.173 120.400 0.058 0.000 2.106 509 K HA 0.742 5.060 4.320 -0.003 0.000 0.246 509 K C -2.756 173.841 176.600 -0.005 0.000 0.987 509 K CA -1.760 54.545 56.287 0.030 0.000 0.904 509 K CB 1.822 34.336 32.500 0.023 0.000 1.071 509 K HN 0.169 nan 8.250 nan 0.000 0.453 510 P HA 0.003 nan 4.420 nan 0.000 0.265 510 P C 0.388 177.650 177.300 -0.064 0.000 1.193 510 P CA 1.108 64.154 63.100 -0.089 0.000 0.765 510 P CB 0.752 32.400 31.700 -0.086 0.000 0.823 511 G N 1.995 110.745 108.800 -0.083 0.000 2.278 511 G HA2 -0.187 3.771 3.960 -0.003 0.000 0.210 511 G HA3 -0.187 3.771 3.960 -0.003 0.000 0.210 511 G C 0.323 175.199 174.900 -0.040 0.000 1.000 511 G CA -0.505 44.561 45.100 -0.056 0.000 0.635 511 G HN 0.500 nan 8.290 nan 0.000 0.495 512 N N 0.311 118.995 118.700 -0.027 0.000 2.503 512 N HA 0.497 5.235 4.740 -0.003 0.000 0.267 512 N C 0.083 175.587 175.510 -0.009 0.000 1.214 512 N CA 0.020 53.069 53.050 -0.000 0.000 0.959 512 N CB 1.601 40.110 38.487 0.036 0.000 1.142 512 N HN 0.204 nan 8.380 nan 0.000 0.455 513 V N 1.664 121.578 119.914 0.000 0.000 2.398 513 V HA 0.379 4.497 4.120 -0.003 0.000 0.286 513 V C 0.186 176.289 176.094 0.015 0.000 1.026 513 V CA -0.785 61.514 62.300 -0.002 0.000 0.868 513 V CB 1.273 33.088 31.823 -0.013 0.000 0.982 513 V HN 0.467 nan 8.190 nan 0.000 0.443 514 V N 2.051 121.984 119.914 0.032 0.000 2.769 514 V HA 0.756 4.875 4.120 -0.003 0.000 0.312 514 V C -0.070 176.019 176.094 -0.007 0.000 1.058 514 V CA -0.358 61.970 62.300 0.045 0.000 0.952 514 V CB 1.989 33.906 31.823 0.156 0.000 1.019 514 V HN 0.739 nan 8.190 nan 0.000 0.445 515 T N 5.191 119.736 114.554 -0.016 0.000 2.767 515 T HA 0.669 5.017 4.350 -0.003 0.000 0.284 515 T C -0.205 174.442 174.700 -0.089 0.000 0.973 515 T CA 0.000 62.074 62.100 -0.044 0.000 0.996 515 T CB 0.749 69.615 68.868 -0.004 0.000 0.927 515 T HN 0.633 nan 8.240 nan 0.000 0.456 516 I N 3.634 124.115 120.570 -0.149 0.000 2.382 516 I HA 0.321 4.490 4.170 -0.003 0.000 0.285 516 I C -0.418 175.645 176.117 -0.090 0.000 1.007 516 I CA -0.823 60.354 61.300 -0.205 0.000 1.142 516 I CB 1.272 39.064 38.000 -0.346 0.000 1.289 516 I HN 0.464 nan 8.210 nan 0.000 0.453 517 D N 4.830 125.183 120.400 -0.077 0.000 2.181 517 D HA 0.767 5.405 4.640 -0.003 0.000 0.248 517 D C 0.305 176.468 176.300 -0.229 0.000 1.020 517 D CA 0.019 53.967 54.000 -0.086 0.000 0.891 517 D CB 2.588 43.330 40.800 -0.096 0.000 1.187 517 D HN 0.767 nan 8.370 nan 0.000 0.443 518 G N 0.466 109.077 108.800 -0.316 0.000 2.392 518 G HA2 0.318 4.276 3.960 -0.003 0.000 0.260 518 G HA3 0.318 4.276 3.960 -0.003 0.000 0.260 518 G C -1.353 173.224 174.900 -0.537 0.000 1.226 518 G CA -0.646 44.173 45.100 -0.469 0.000 0.913 518 G HN 0.286 nan 8.290 nan 0.000 0.483 519 R N -0.933 119.211 120.500 -0.594 0.000 2.740 519 R HA 0.626 4.965 4.340 -0.003 0.000 0.273 519 R C 0.403 176.360 176.300 -0.572 0.000 0.998 519 R CA -0.091 55.743 56.100 -0.443 0.000 0.900 519 R CB 1.313 31.588 30.300 -0.040 0.000 1.223 519 R HN 2.240 nan 8.270 nan 0.000 0.466 520 G N 1.458 110.053 108.800 -0.341 0.000 2.246 520 G HA2 -0.259 3.700 3.960 -0.003 0.000 0.273 520 G HA3 -0.259 3.700 3.960 -0.003 0.000 0.273 520 G C 0.047 174.950 174.900 0.006 0.000 1.055 520 G CA 0.153 45.165 45.100 -0.146 0.000 0.851 520 G HN 0.436 nan 8.290 nan 0.000 0.500 521 F N 0.671 120.649 119.950 0.047 0.000 2.664 521 F HA 0.424 4.950 4.527 -0.003 0.000 0.296 521 F C 1.961 177.987 175.800 0.376 0.000 1.125 521 F CA 0.623 58.691 58.000 0.114 0.000 1.444 521 F CB -0.327 38.544 39.000 -0.214 0.000 1.114 521 F HN 1.105 nan 8.300 nan 0.000 0.576 522 G N -0.008 109.032 108.800 0.401 0.000 2.814 522 G HA2 -0.216 3.743 3.960 -0.003 0.000 0.677 522 G HA3 -0.216 3.743 3.960 -0.003 0.000 0.677 522 G C 0.723 175.858 174.900 0.391 0.000 1.429 522 G CA -0.137 45.156 45.100 0.321 0.000 0.868 522 G HN 0.114 nan 8.290 nan 0.000 0.553 523 S N -1.004 114.826 115.700 0.217 0.000 2.458 523 S HA 0.177 4.646 4.470 -0.003 0.000 0.223 523 S C 1.553 176.194 174.600 0.069 0.000 1.019 523 S CA 1.471 59.779 58.200 0.179 0.000 0.937 523 S CB 0.190 63.446 63.200 0.094 0.000 0.788 523 S HN 1.320 nan 8.310 nan 0.000 0.511 524 T N 2.868 117.392 114.554 -0.049 0.000 2.761 524 T HA 0.167 4.516 4.350 -0.003 0.000 0.296 524 T C -0.265 174.029 174.700 -0.675 0.000 0.934 524 T CA -0.517 61.441 62.100 -0.238 0.000 1.091 524 T CB 0.138 68.909 68.868 -0.161 0.000 0.896 524 T HN 0.171 nan 8.240 nan 0.000 0.515 525 K N 4.411 124.330 120.400 -0.802 0.000 2.430 525 K HA 0.206 4.525 4.320 -0.003 0.000 0.280 525 K C 0.873 176.757 176.600 -1.193 0.000 1.063 525 K CA -0.037 55.471 56.287 -1.299 0.000 1.071 525 K CB -0.222 31.950 32.500 -0.546 0.000 0.899 525 K HN 0.806 nan 8.250 nan 0.000 0.473 526 G N 2.132 109.765 108.800 -1.944 0.000 3.227 526 G HA2 0.181 4.140 3.960 -0.003 0.000 0.171 526 G HA3 0.181 4.140 3.960 -0.003 0.000 0.171 526 G C -0.612 174.023 174.900 -0.443 0.000 1.463 526 G CA -0.189 44.384 45.100 -0.878 0.000 1.016 526 G HN 0.593 nan 8.290 nan 0.000 0.594 527 T N -1.462 113.034 114.554 -0.095 0.000 2.893 527 T HA 0.542 4.891 4.350 -0.003 0.000 0.293 527 T C -1.358 173.341 174.700 -0.002 0.000 1.027 527 T CA -0.490 61.567 62.100 -0.073 0.000 0.988 527 T CB 1.662 70.400 68.868 -0.217 0.000 1.043 527 T HN 0.353 nan 8.240 nan 0.000 0.461 528 V N 5.163 125.014 119.914 -0.105 0.000 2.459 528 V HA 0.514 4.632 4.120 -0.003 0.000 0.295 528 V C -1.170 174.787 176.094 -0.230 0.000 1.029 528 V CA -0.782 61.448 62.300 -0.118 0.000 0.874 528 V CB 1.156 32.932 31.823 -0.078 0.000 0.985 528 V HN 0.895 nan 8.190 nan 0.000 0.438 529 Y N 3.700 123.937 120.300 -0.105 0.000 2.341 529 Y HA 0.568 5.116 4.550 -0.003 0.000 0.337 529 Y C -0.306 175.467 175.900 -0.211 0.000 1.014 529 Y CA -0.604 57.457 58.100 -0.065 0.000 1.111 529 Y CB 1.617 40.057 38.460 -0.033 0.000 1.194 529 Y HN 0.543 nan 8.280 nan 0.000 0.462 530 F N 2.826 122.798 119.950 0.037 0.000 2.319 530 F HA 0.500 5.025 4.527 -0.003 0.000 0.356 530 F C 0.894 176.751 175.800 0.095 0.000 1.100 530 F CA -0.073 57.882 58.000 -0.074 0.000 1.220 530 F CB 0.646 39.456 39.000 -0.317 0.000 1.506 530 F HN 0.815 nan 8.300 nan 0.000 0.512 531 G N 1.540 110.529 108.800 0.314 0.000 2.652 531 G HA2 -0.340 3.619 3.960 -0.003 0.000 0.278 531 G HA3 -0.340 3.619 3.960 -0.003 0.000 0.278 531 G C 1.029 176.075 174.900 0.244 0.000 1.263 531 G CA 0.434 45.742 45.100 0.347 0.000 0.966 531 G HN 0.337 nan 8.290 nan 0.000 0.544 532 T N 1.685 116.393 114.554 0.257 0.000 3.023 532 T HA 0.292 4.641 4.350 -0.003 0.000 0.249 532 T C 1.201 176.077 174.700 0.293 0.000 1.050 532 T CA 1.435 63.665 62.100 0.217 0.000 1.088 532 T CB -0.031 68.928 68.868 0.152 0.000 0.946 532 T HN 0.718 nan 8.240 nan 0.000 0.480 533 T N 3.261 117.958 114.554 0.237 0.000 2.902 533 T HA 0.479 4.827 4.350 -0.003 0.000 0.301 533 T C 0.077 174.854 174.700 0.127 0.000 1.012 533 T CA -0.378 61.811 62.100 0.149 0.000 1.151 533 T CB 0.630 69.534 68.868 0.059 0.000 0.946 533 T HN 0.284 nan 8.240 nan 0.000 0.542 534 A N 3.389 126.200 122.820 -0.014 0.000 2.305 534 A HA 0.655 4.974 4.320 -0.003 0.000 0.322 534 A C -0.326 177.149 177.584 -0.182 0.000 1.187 534 A CA -0.682 51.177 52.037 -0.297 0.000 0.825 534 A CB 0.799 19.581 19.000 -0.363 0.000 1.164 534 A HN 0.681 nan 8.150 nan 0.000 0.498 535 V N 3.001 122.800 119.914 -0.193 0.000 2.378 535 V HA 0.655 4.774 4.120 -0.003 0.000 0.288 535 V C 0.257 176.288 176.094 -0.105 0.000 1.016 535 V CA -0.002 62.239 62.300 -0.097 0.000 0.840 535 V CB 1.155 32.976 31.823 -0.003 0.000 0.994 535 V HN 1.155 nan 8.190 nan 0.000 0.431 536 T N 0.971 115.470 114.554 -0.092 0.000 2.838 536 T HA 0.889 5.237 4.350 -0.003 0.000 0.292 536 T C 0.504 175.164 174.700 -0.066 0.000 1.113 536 T CA 0.062 62.109 62.100 -0.088 0.000 1.008 536 T CB 1.763 70.566 68.868 -0.109 0.000 1.259 536 T HN 1.597 nan 8.240 nan 0.000 0.520 537 G N 1.109 109.866 108.800 -0.072 0.000 2.561 537 G HA2 -0.062 3.896 3.960 -0.003 0.000 0.289 537 G HA3 -0.062 3.896 3.960 -0.003 0.000 0.289 537 G C 1.256 176.133 174.900 -0.038 0.000 1.169 537 G CA 1.009 46.074 45.100 -0.059 0.000 0.980 537 G HN 1.830 nan 8.290 nan 0.000 0.550 538 A N -0.050 122.749 122.820 -0.035 0.000 2.067 538 A HA 0.403 4.721 4.320 -0.003 0.000 0.219 538 A C 2.919 180.488 177.584 -0.024 0.000 1.158 538 A CA 2.969 54.990 52.037 -0.027 0.000 0.661 538 A CB -0.867 18.116 19.000 -0.028 0.000 0.801 538 A HN 2.236 nan 8.150 nan 0.000 0.452 539 A N -0.148 122.653 122.820 -0.031 0.000 1.972 539 A HA 0.071 4.390 4.320 -0.003 0.000 0.219 539 A C 1.101 178.676 177.584 -0.016 0.000 1.169 539 A CA 0.717 52.733 52.037 -0.036 0.000 0.635 539 A CB -0.421 18.547 19.000 -0.052 0.000 0.810 539 A HN 0.458 nan 8.150 nan 0.000 0.446 540 I N 1.756 122.329 120.570 0.005 0.000 2.269 540 I HA 0.025 4.193 4.170 -0.003 0.000 0.293 540 I C 1.659 177.800 176.117 0.040 0.000 1.106 540 I CA 0.210 61.536 61.300 0.044 0.000 1.248 540 I CB 0.820 38.886 38.000 0.111 0.000 1.444 540 I HN 0.357 nan 8.210 nan 0.000 0.497 541 T N 0.503 115.069 114.554 0.020 0.000 3.007 541 T HA -0.054 4.294 4.350 -0.003 0.000 0.270 541 T C 0.760 175.479 174.700 0.031 0.000 1.107 541 T CA 0.391 62.499 62.100 0.014 0.000 1.118 541 T CB 0.125 68.991 68.868 -0.002 0.000 0.889 541 T HN 0.464 nan 8.240 nan 0.000 0.506 542 S N -0.571 115.161 115.700 0.053 0.000 2.542 542 S HA 0.486 4.955 4.470 -0.003 0.000 0.276 542 S C -2.616 172.066 174.600 0.138 0.000 1.148 542 S CA -0.957 57.289 58.200 0.076 0.000 0.886 542 S CB 1.440 64.657 63.200 0.028 0.000 1.109 542 S HN 0.468 nan 8.310 nan 0.000 0.458 543 W N 4.446 125.726 121.300 -0.034 0.000 3.132 543 W HA 0.559 5.217 4.660 -0.003 0.000 0.337 543 W C -1.275 175.251 176.519 0.012 0.000 1.082 543 W CA -0.441 56.885 57.345 -0.032 0.000 1.242 543 W CB 1.449 30.879 29.460 -0.051 0.000 1.354 543 W HN 0.881 nan 8.180 nan 0.000 0.461 544 E N 1.829 122.075 120.200 0.077 0.000 2.456 544 E HA 0.051 4.399 4.350 -0.003 0.000 0.276 544 E C -0.188 176.502 176.600 0.149 0.000 0.981 544 E CA -0.550 55.951 56.400 0.168 0.000 0.814 544 E CB 2.256 32.006 29.700 0.084 0.000 1.382 544 E HN 0.318 nan 8.360 nan 0.000 0.459 545 D N -0.336 120.160 120.400 0.160 0.000 2.218 545 D HA -0.128 4.511 4.640 -0.003 0.000 0.204 545 D C 1.413 177.683 176.300 -0.050 0.000 0.976 545 D CA 2.054 56.122 54.000 0.114 0.000 0.853 545 D CB 0.290 41.127 40.800 0.061 0.000 0.939 545 D HN 0.450 nan 8.370 nan 0.000 0.481 546 T N -3.771 110.770 114.554 -0.020 0.000 3.003 546 T HA 0.172 4.521 4.350 -0.003 0.000 0.261 546 T C 0.489 175.207 174.700 0.029 0.000 1.003 546 T CA -0.577 61.458 62.100 -0.109 0.000 0.917 546 T CB 0.507 69.329 68.868 -0.077 0.000 1.084 546 T HN 0.117 nan 8.240 nan 0.000 0.522 547 Q N 0.271 120.139 119.800 0.113 0.000 2.320 547 Q HA 0.638 4.976 4.340 -0.003 0.000 0.272 547 Q C -2.232 173.682 176.000 -0.144 0.000 1.023 547 Q CA -0.875 54.947 55.803 0.031 0.000 0.855 547 Q CB 2.038 30.765 28.738 -0.018 0.000 1.367 547 Q HN 0.439 nan 8.270 nan 0.000 0.406 548 I N 3.010 123.411 120.570 -0.281 0.000 2.499 548 I HA 0.431 4.599 4.170 -0.003 0.000 0.288 548 I C -0.785 175.195 176.117 -0.228 0.000 1.048 548 I CA -0.789 60.264 61.300 -0.411 0.000 1.062 548 I CB 2.030 39.525 38.000 -0.841 0.000 1.238 548 I HN 0.346 nan 8.210 nan 0.000 0.426 549 K N 5.459 125.784 120.400 -0.124 0.000 2.265 549 K HA 0.678 4.997 4.320 -0.003 0.000 0.267 549 K C -1.184 175.389 176.600 -0.044 0.000 0.994 549 K CA -0.577 55.668 56.287 -0.070 0.000 0.860 549 K CB 2.817 35.295 32.500 -0.038 0.000 1.099 549 K HN 0.357 nan 8.250 nan 0.000 0.448 550 V N 2.213 122.107 119.914 -0.034 0.000 3.007 550 V HA 0.381 4.499 4.120 -0.003 0.000 0.311 550 V C -0.817 175.275 176.094 -0.004 0.000 1.120 550 V CA -0.439 61.860 62.300 -0.002 0.000 0.980 550 V CB 2.517 34.355 31.823 0.026 0.000 1.033 550 V HN 0.772 nan 8.190 nan 0.000 0.429 551 T N 6.581 121.114 114.554 -0.034 0.000 2.856 551 T HA 0.510 4.858 4.350 -0.003 0.000 0.292 551 T C 0.092 174.672 174.700 -0.201 0.000 0.980 551 T CA 0.013 62.063 62.100 -0.084 0.000 1.091 551 T CB 0.606 69.426 68.868 -0.080 0.000 0.936 551 T HN 0.526 nan 8.240 nan 0.000 0.503 552 I N 6.578 126.989 120.570 -0.266 0.000 2.517 552 I HA 0.153 4.321 4.170 -0.003 0.000 0.285 552 I C -1.516 174.322 176.117 -0.465 0.000 1.106 552 I CA -1.868 59.099 61.300 -0.554 0.000 1.402 552 I CB 0.492 38.288 38.000 -0.341 0.000 1.399 552 I HN 0.360 nan 8.210 nan 0.000 0.535 553 P HA 0.034 nan 4.420 nan 0.000 0.272 553 P C -0.575 176.559 177.300 -0.276 0.000 1.240 553 P CA -0.422 62.457 63.100 -0.368 0.000 0.791 553 P CB 0.617 32.093 31.700 -0.372 0.000 0.978 554 S N 0.349 115.947 115.700 -0.170 0.000 3.869 554 S HA 0.274 4.742 4.470 -0.003 0.000 0.241 554 S C 0.582 175.127 174.600 -0.090 0.000 1.363 554 S CA -0.548 57.586 58.200 -0.110 0.000 0.894 554 S CB -1.105 62.053 63.200 -0.070 0.000 1.519 554 S HN 0.341 nan 8.310 nan 0.000 0.470 555 V N -0.418 119.428 119.914 -0.113 0.000 3.166 555 V HA 0.956 5.074 4.120 -0.003 0.000 0.317 555 V C 0.286 176.396 176.094 0.025 0.000 1.136 555 V CA -1.685 60.582 62.300 -0.056 0.000 1.035 555 V CB 0.902 32.647 31.823 -0.132 0.000 1.110 555 V HN 0.496 nan 8.190 nan 0.000 0.450 556 A N 0.953 123.843 122.820 0.118 0.000 2.540 556 A HA 0.635 4.953 4.320 -0.003 0.000 0.239 556 A C 0.801 178.527 177.584 0.237 0.000 1.061 556 A CA 0.348 52.480 52.037 0.158 0.000 0.758 556 A CB -0.516 18.586 19.000 0.169 0.000 0.991 556 A HN 2.227 nan 8.150 nan 0.000 0.502 557 A N 1.727 124.650 122.820 0.171 0.000 2.498 557 A HA 0.598 4.916 4.320 -0.003 0.000 0.239 557 A C 0.957 178.679 177.584 0.231 0.000 1.068 557 A CA 0.774 52.927 52.037 0.194 0.000 0.766 557 A CB -0.171 18.897 19.000 0.114 0.000 1.003 557 A HN 2.652 nan 8.150 nan 0.000 0.497 558 G N 0.565 109.535 108.800 0.283 0.000 2.343 558 G HA2 0.311 4.270 3.960 -0.003 0.000 0.289 558 G HA3 0.311 4.270 3.960 -0.003 0.000 0.289 558 G C -1.161 173.822 174.900 0.138 0.000 1.295 558 G CA -0.458 44.717 45.100 0.125 0.000 0.869 558 G HN 0.974 nan 8.290 nan 0.000 0.522 559 N N -0.483 118.174 118.700 -0.071 0.000 2.434 559 N HA 0.676 5.415 4.740 -0.003 0.000 0.272 559 N C -1.253 174.160 175.510 -0.160 0.000 1.040 559 N CA -0.174 52.878 53.050 0.003 0.000 0.956 559 N CB 0.508 38.987 38.487 -0.014 0.000 1.108 559 N HN 0.449 nan 8.380 nan 0.000 0.481 560 Y N 0.890 121.319 120.300 0.214 0.000 2.570 560 Y HA 0.678 5.226 4.550 -0.003 0.000 0.345 560 Y C -0.040 175.969 175.900 0.182 0.000 1.014 560 Y CA -1.208 57.014 58.100 0.204 0.000 1.063 560 Y CB 1.934 40.558 38.460 0.273 0.000 1.272 560 Y HN 0.526 nan 8.280 nan 0.000 0.477 561 A N 1.382 124.366 122.820 0.274 0.000 2.317 561 A HA 0.754 5.073 4.320 -0.003 0.000 0.327 561 A C -1.263 176.361 177.584 0.067 0.000 1.178 561 A CA -0.636 51.494 52.037 0.155 0.000 0.817 561 A CB 0.599 19.653 19.000 0.090 0.000 1.189 561 A HN 0.492 nan 8.150 nan 0.000 0.489 562 V N 2.317 122.227 119.914 -0.008 0.000 2.472 562 V HA 0.558 4.676 4.120 -0.003 0.000 0.290 562 V C 0.205 176.235 176.094 -0.106 0.000 1.037 562 V CA -0.413 61.743 62.300 -0.240 0.000 0.908 562 V CB 1.400 32.983 31.823 -0.400 0.000 0.985 562 V HN 0.948 nan 8.190 nan 0.000 0.454 563 K N 2.711 123.040 120.400 -0.119 0.000 2.502 563 K HA 0.786 5.104 4.320 -0.003 0.000 0.257 563 K C -2.044 174.568 176.600 0.020 0.000 0.938 563 K CA -0.555 55.725 56.287 -0.012 0.000 0.819 563 K CB 2.672 35.180 32.500 0.013 0.000 1.333 563 K HN 0.431 nan 8.250 nan 0.000 0.434 564 V N 1.818 121.752 119.914 0.033 0.000 2.604 564 V HA 0.686 4.804 4.120 -0.003 0.000 0.305 564 V C -0.906 175.291 176.094 0.172 0.000 1.043 564 V CA -0.769 61.551 62.300 0.035 0.000 0.888 564 V CB 1.568 33.259 31.823 -0.220 0.000 0.995 564 V HN 0.879 nan 8.190 nan 0.000 0.429 565 A N 3.912 126.889 122.820 0.263 0.000 2.291 565 A HA 0.918 5.236 4.320 -0.003 0.000 0.311 565 A C -0.214 177.528 177.584 0.264 0.000 1.224 565 A CA -0.304 51.887 52.037 0.256 0.000 0.821 565 A CB 1.217 20.407 19.000 0.317 0.000 1.172 565 A HN 1.343 nan 8.150 nan 0.000 0.494 566 A N 1.931 124.900 122.820 0.248 0.000 2.332 566 A HA 0.680 4.998 4.320 -0.003 0.000 0.300 566 A C 0.453 178.115 177.584 0.131 0.000 1.153 566 A CA -0.003 52.176 52.037 0.238 0.000 0.764 566 A CB 0.146 19.405 19.000 0.432 0.000 1.174 566 A HN 1.954 nan 8.150 nan 0.000 0.467 567 S N 1.255 116.987 115.700 0.054 0.000 3.812 567 S HA -0.107 4.361 4.470 -0.003 0.000 0.341 567 S C 1.502 176.127 174.600 0.041 0.000 1.057 567 S CA 1.583 59.802 58.200 0.032 0.000 1.015 567 S CB -1.534 61.692 63.200 0.042 0.000 0.893 567 S HN 2.831 nan 8.310 nan 0.000 0.476 568 G N -1.301 107.527 108.800 0.047 0.000 2.284 568 G HA2 -0.300 3.658 3.960 -0.003 0.000 0.261 568 G HA3 -0.300 3.658 3.960 -0.003 0.000 0.261 568 G C 0.322 175.256 174.900 0.057 0.000 0.997 568 G CA 0.385 45.515 45.100 0.049 0.000 0.621 568 G HN 1.720 nan 8.290 nan 0.000 0.534 569 V N 1.458 121.413 119.914 0.068 0.000 2.407 569 V HA 0.670 4.789 4.120 -0.003 0.000 0.278 569 V C -0.041 176.103 176.094 0.083 0.000 1.037 569 V CA -1.087 61.250 62.300 0.063 0.000 0.900 569 V CB 1.147 33.004 31.823 0.055 0.000 0.983 569 V HN 0.296 nan 8.190 nan 0.000 0.459 570 N N 4.228 122.962 118.700 0.056 0.000 2.514 570 N HA 0.352 5.090 4.740 -0.003 0.000 0.277 570 N C 0.101 175.642 175.510 0.052 0.000 1.126 570 N CA 0.160 53.241 53.050 0.051 0.000 0.978 570 N CB 1.545 40.026 38.487 -0.010 0.000 1.106 570 N HN 0.926 nan 8.380 nan 0.000 0.461 571 S N 1.352 117.097 115.700 0.075 0.000 2.646 571 S HA 0.308 4.776 4.470 -0.003 0.000 0.273 571 S C 0.294 174.921 174.600 0.045 0.000 1.168 571 S CA -0.917 57.327 58.200 0.075 0.000 1.013 571 S CB 0.390 63.669 63.200 0.131 0.000 1.098 571 S HN 0.637 nan 8.310 nan 0.000 0.544 572 N N 0.460 119.188 118.700 0.048 0.000 2.467 572 N HA 0.319 5.057 4.740 -0.003 0.000 0.262 572 N C -0.526 175.023 175.510 0.065 0.000 1.234 572 N CA -0.357 52.719 53.050 0.044 0.000 0.952 572 N CB 0.648 39.162 38.487 0.044 0.000 1.158 572 N HN 0.857 nan 8.380 nan 0.000 0.463 573 A N 0.944 123.795 122.820 0.052 0.000 2.289 573 A HA 0.247 4.565 4.320 -0.003 0.000 0.298 573 A C -1.194 176.451 177.584 0.102 0.000 1.208 573 A CA -0.632 51.442 52.037 0.061 0.000 0.845 573 A CB -0.107 18.910 19.000 0.028 0.000 1.125 573 A HN 0.719 nan 8.150 nan 0.000 0.517 574 Y N 4.191 124.489 120.300 -0.003 0.000 2.454 574 Y HA 0.193 4.741 4.550 -0.003 0.000 0.345 574 Y C 0.356 176.278 175.900 0.037 0.000 0.970 574 Y CA -0.377 57.732 58.100 0.015 0.000 1.204 574 Y CB 0.343 38.797 38.460 -0.011 0.000 1.122 574 Y HN 0.736 nan 8.280 nan 0.000 0.514 575 N N 3.730 122.375 118.700 -0.092 0.000 2.381 575 N HA 0.064 4.802 4.740 -0.003 0.000 0.254 575 N C -0.546 174.987 175.510 0.037 0.000 1.264 575 N CA -0.047 52.998 53.050 -0.008 0.000 0.942 575 N CB 0.306 38.768 38.487 -0.041 0.000 1.190 575 N HN 0.742 nan 8.380 nan 0.000 0.495 576 N N -0.663 118.091 118.700 0.089 0.000 2.708 576 N HA -0.243 4.496 4.740 -0.003 0.000 0.255 576 N C -1.445 174.168 175.510 0.172 0.000 1.046 576 N CA 0.205 53.316 53.050 0.103 0.000 0.715 576 N CB -1.319 37.188 38.487 0.034 0.000 0.895 576 N HN 0.374 nan 8.380 nan 0.000 0.545 577 F N 1.090 121.128 119.950 0.146 0.000 2.404 577 F HA 0.370 4.896 4.527 -0.003 0.000 0.354 577 F C 0.354 176.281 175.800 0.211 0.000 1.122 577 F CA -0.393 57.715 58.000 0.181 0.000 1.080 577 F CB 1.056 40.185 39.000 0.216 0.000 1.131 577 F HN -0.057 nan 8.300 nan 0.000 0.471 578 T N 7.788 122.245 114.554 -0.162 0.000 2.728 578 T HA 0.456 4.804 4.350 -0.003 0.000 0.296 578 T C 0.108 174.872 174.700 0.108 0.000 0.940 578 T CA -0.254 61.863 62.100 0.028 0.000 1.013 578 T CB 0.264 69.096 68.868 -0.059 0.000 0.912 578 T HN 0.364 nan 8.240 nan 0.000 0.484 579 I N 4.575 125.340 120.570 0.325 0.000 2.321 579 I HA 0.341 4.509 4.170 -0.003 0.000 0.291 579 I C 0.080 176.296 176.117 0.164 0.000 0.998 579 I CA -0.734 60.729 61.300 0.273 0.000 1.227 579 I CB 1.149 39.301 38.000 0.252 0.000 1.368 579 I HN 0.369 nan 8.210 nan 0.000 0.466 580 L N 5.093 126.376 121.223 0.101 0.000 2.439 580 L HA 0.313 4.652 4.340 -0.003 0.000 0.259 580 L C 1.498 178.405 176.870 0.062 0.000 1.129 580 L CA -0.321 54.561 54.840 0.070 0.000 0.803 580 L CB 0.957 43.045 42.059 0.047 0.000 1.161 580 L HN 0.566 nan 8.230 nan 0.000 0.462 581 T N -0.131 114.456 114.554 0.054 0.000 2.904 581 T HA 0.136 4.484 4.350 -0.003 0.000 0.267 581 T C 0.612 175.333 174.700 0.035 0.000 1.059 581 T CA 1.021 63.150 62.100 0.048 0.000 1.137 581 T CB 0.090 68.987 68.868 0.049 0.000 0.879 581 T HN 0.901 nan 8.240 nan 0.000 0.467 582 G N 0.174 108.993 108.800 0.032 0.000 2.452 582 G HA2 0.230 4.189 3.960 -0.003 0.000 0.224 582 G HA3 0.230 4.189 3.960 -0.003 0.000 0.224 582 G C -2.069 172.846 174.900 0.025 0.000 1.208 582 G CA -0.830 44.285 45.100 0.024 0.000 0.946 582 G HN 0.042 nan 8.290 nan 0.000 0.481 583 D N 1.204 121.617 120.400 0.023 0.000 2.423 583 D HA 0.348 4.987 4.640 -0.003 0.000 0.238 583 D C 0.048 176.364 176.300 0.028 0.000 1.142 583 D CA 0.530 54.543 54.000 0.021 0.000 0.884 583 D CB 0.896 41.709 40.800 0.021 0.000 1.199 583 D HN 0.212 nan 8.370 nan 0.000 0.438 584 Q N 0.364 120.177 119.800 0.020 0.000 2.257 584 Q HA 0.585 4.923 4.340 -0.003 0.000 0.262 584 Q C -0.228 175.799 176.000 0.045 0.000 0.997 584 Q CA -0.970 54.851 55.803 0.030 0.000 0.873 584 Q CB 2.286 31.028 28.738 0.006 0.000 1.312 584 Q HN 0.344 nan 8.270 nan 0.000 0.450 585 V N -2.072 117.888 119.914 0.077 0.000 3.007 585 V HA 0.702 4.820 4.120 -0.003 0.000 0.311 585 V C -0.445 175.735 176.094 0.144 0.000 1.120 585 V CA -0.833 61.532 62.300 0.110 0.000 0.980 585 V CB 2.028 33.922 31.823 0.118 0.000 1.033 585 V HN 0.669 nan 8.190 nan 0.000 0.429 586 T N 2.781 117.447 114.554 0.188 0.000 2.744 586 T HA 0.688 5.036 4.350 -0.003 0.000 0.291 586 T C -0.328 174.507 174.700 0.225 0.000 0.957 586 T CA -0.299 61.941 62.100 0.233 0.000 1.002 586 T CB 1.224 70.297 68.868 0.342 0.000 0.919 586 T HN 0.749 nan 8.240 nan 0.000 0.468 587 V N 3.777 123.823 119.914 0.221 0.000 2.604 587 V HA 0.512 4.631 4.120 -0.003 0.000 0.305 587 V C 0.135 176.312 176.094 0.138 0.000 1.043 587 V CA -1.120 61.248 62.300 0.113 0.000 0.888 587 V CB 1.971 33.792 31.823 -0.003 0.000 0.995 587 V HN 0.746 nan 8.190 nan 0.000 0.429 588 R N 3.452 123.979 120.500 0.045 0.000 2.207 588 R HA 0.470 4.808 4.340 -0.003 0.000 0.334 588 R C -1.490 174.815 176.300 0.009 0.000 1.013 588 R CA -0.366 55.828 56.100 0.157 0.000 0.858 588 R CB 0.414 30.821 30.300 0.179 0.000 1.094 588 R HN 0.512 nan 8.270 nan 0.000 0.457 589 F N 4.165 124.168 119.950 0.089 0.000 2.411 589 F HA 0.305 4.830 4.527 -0.003 0.000 0.350 589 F C -0.058 175.864 175.800 0.204 0.000 1.114 589 F CA -0.444 57.599 58.000 0.072 0.000 1.135 589 F CB 1.689 40.713 39.000 0.040 0.000 1.120 589 F HN 0.107 nan 8.300 nan 0.000 0.495 590 V N 4.867 124.913 119.914 0.220 0.000 2.487 590 V HA 0.542 4.660 4.120 -0.003 0.000 0.298 590 V C -0.842 175.258 176.094 0.009 0.000 1.028 590 V CA -0.910 61.439 62.300 0.081 0.000 0.860 590 V CB 1.972 33.693 31.823 -0.170 0.000 0.991 590 V HN 0.505 nan 8.190 nan 0.000 0.427 591 V N 5.618 125.474 119.914 -0.096 0.000 2.540 591 V HA 0.617 4.735 4.120 -0.003 0.000 0.302 591 V C -0.538 175.514 176.094 -0.070 0.000 1.035 591 V CA -0.449 61.715 62.300 -0.226 0.000 0.873 591 V CB 1.966 33.302 31.823 -0.812 0.000 0.992 591 V HN 0.926 nan 8.190 nan 0.000 0.428 592 N N 4.675 123.362 118.700 -0.021 0.000 2.492 592 N HA 0.426 5.165 4.740 -0.003 0.000 0.289 592 N C -0.039 175.504 175.510 0.055 0.000 1.133 592 N CA -0.290 52.768 53.050 0.013 0.000 0.961 592 N CB 0.980 39.471 38.487 0.007 0.000 1.186 592 N HN 0.788 nan 8.380 nan 0.000 0.493 593 N N -0.684 118.023 118.700 0.011 0.000 2.735 593 N HA -0.188 4.550 4.740 -0.003 0.000 0.248 593 N C -0.863 174.608 175.510 -0.064 0.000 1.083 593 N CA 0.522 53.564 53.050 -0.013 0.000 0.703 593 N CB -1.130 37.387 38.487 0.049 0.000 1.005 593 N HN 0.628 nan 8.380 nan 0.000 0.550 594 A N 0.377 123.129 122.820 -0.113 0.000 3.095 594 A HA 0.417 4.735 4.320 -0.003 0.000 0.301 594 A C 0.739 178.177 177.584 -0.243 0.000 1.432 594 A CA -0.221 51.579 52.037 -0.396 0.000 1.140 594 A CB 0.026 18.734 19.000 -0.486 0.000 1.174 594 A HN 0.338 nan 8.150 nan 0.000 0.546 595 S N 1.253 116.798 115.700 -0.258 0.000 2.549 595 S HA 0.516 4.985 4.470 -0.003 0.000 0.279 595 S C 0.498 175.109 174.600 0.019 0.000 1.321 595 S CA 0.304 58.461 58.200 -0.070 0.000 1.054 595 S CB 0.657 63.826 63.200 -0.052 0.000 0.899 595 S HN 0.980 nan 8.310 nan 0.000 0.497 596 T N -0.058 114.678 114.554 0.302 0.000 2.807 596 T HA 0.678 5.026 4.350 -0.003 0.000 0.277 596 T C -0.031 174.745 174.700 0.128 0.000 1.006 596 T CA -0.800 61.389 62.100 0.148 0.000 1.006 596 T CB 1.127 70.115 68.868 0.200 0.000 1.274 596 T HN 0.572 nan 8.240 nan 0.000 0.569 597 T N 1.185 115.781 114.554 0.070 0.000 2.944 597 T HA 0.526 4.874 4.350 -0.003 0.000 0.284 597 T C -0.258 174.468 174.700 0.043 0.000 1.010 597 T CA -0.624 61.507 62.100 0.051 0.000 1.025 597 T CB 0.985 69.876 68.868 0.038 0.000 1.079 597 T HN 0.691 nan 8.240 nan 0.000 0.516 598 L N 2.490 123.728 121.223 0.026 0.000 2.584 598 L HA 0.377 4.716 4.340 -0.003 0.000 0.272 598 L C 1.295 178.181 176.870 0.027 0.000 1.195 598 L CA 1.728 56.577 54.840 0.014 0.000 0.920 598 L CB -0.656 41.408 42.059 0.008 0.000 1.173 598 L HN 0.952 nan 8.230 nan 0.000 0.489 599 G N 2.660 111.479 108.800 0.032 0.000 2.184 599 G HA2 -0.336 3.622 3.960 -0.003 0.000 0.264 599 G HA3 -0.336 3.622 3.960 -0.003 0.000 0.264 599 G C 0.319 175.258 174.900 0.066 0.000 0.975 599 G CA 0.477 45.605 45.100 0.046 0.000 0.642 599 G HN 0.843 nan 8.290 nan 0.000 0.536 600 Q N 0.242 120.083 119.800 0.069 0.000 2.256 600 Q HA 0.573 4.911 4.340 -0.003 0.000 0.254 600 Q C 0.022 176.070 176.000 0.081 0.000 0.916 600 Q CA -0.482 55.362 55.803 0.068 0.000 0.932 600 Q CB 0.380 29.144 28.738 0.042 0.000 1.207 600 Q HN 0.505 nan 8.270 nan 0.000 0.426 601 N N 2.216 120.953 118.700 0.063 0.000 2.404 601 N HA 0.495 5.234 4.740 -0.003 0.000 0.297 601 N C -1.655 173.679 175.510 -0.293 0.000 1.163 601 N CA -0.645 52.375 53.050 -0.049 0.000 0.864 601 N CB 1.242 39.708 38.487 -0.035 0.000 1.247 601 N HN 0.402 nan 8.380 nan 0.000 0.510 602 L N 2.181 122.960 121.223 -0.740 0.000 2.307 602 L HA 0.500 4.838 4.340 -0.003 0.000 0.284 602 L C -1.469 174.972 176.870 -0.716 0.000 1.023 602 L CA -0.171 54.194 54.840 -0.790 0.000 0.810 602 L CB 0.357 41.575 42.059 -1.401 0.000 1.231 602 L HN 0.533 nan 8.230 nan 0.000 0.423 603 Y N 3.886 123.740 120.300 -0.743 0.000 2.662 603 Y HA 0.743 5.292 4.550 -0.002 0.000 0.335 603 Y C -0.789 174.657 175.900 -0.757 0.000 1.066 603 Y CA -0.921 56.649 58.100 -0.883 0.000 1.116 603 Y CB 1.823 39.462 38.460 -1.368 0.000 1.308 603 Y HN 0.437 nan 8.280 nan 0.000 0.502 604 L N 0.469 121.414 121.223 -0.462 0.000 2.422 604 L HA 0.847 5.185 4.340 -0.003 0.000 0.264 604 L C -0.807 175.922 176.870 -0.236 0.000 0.984 604 L CA -0.038 54.495 54.840 -0.512 0.000 0.819 604 L CB 2.350 43.910 42.059 -0.833 0.000 1.330 604 L HN 0.683 nan 8.230 nan 0.000 0.410 605 T N 2.192 116.680 114.554 -0.110 0.000 2.821 605 T HA 0.918 5.266 4.350 -0.003 0.000 0.306 605 T C -0.766 173.733 174.700 -0.334 0.000 1.313 605 T CA 0.082 62.129 62.100 -0.087 0.000 1.012 605 T CB 1.501 70.486 68.868 0.195 0.000 1.298 605 T HN 1.164 nan 8.240 nan 0.000 0.502 606 G N 1.305 109.702 108.800 -0.672 0.000 2.634 606 G HA2 0.359 4.318 3.960 -0.003 0.000 0.309 606 G HA3 0.359 4.318 3.960 -0.003 0.000 0.309 606 G C -0.132 174.026 174.900 -1.236 0.000 1.299 606 G CA -0.194 44.258 45.100 -1.080 0.000 0.798 606 G HN 0.735 nan 8.290 nan 0.000 0.490 607 N N -0.658 117.632 118.700 -0.684 0.000 2.501 607 N HA 0.026 4.764 4.740 -0.003 0.000 0.195 607 N C 0.531 175.987 175.510 -0.090 0.000 1.213 607 N CA 0.741 53.644 53.050 -0.246 0.000 0.864 607 N CB -0.034 38.572 38.487 0.198 0.000 0.999 607 N HN 0.858 nan 8.380 nan 0.000 0.454 608 V N -4.945 114.893 119.914 -0.126 0.000 2.914 608 V HA 0.810 4.928 4.120 -0.003 0.000 0.314 608 V C 1.271 177.334 176.094 -0.051 0.000 1.084 608 V CA -0.714 61.564 62.300 -0.037 0.000 0.963 608 V CB 1.111 32.939 31.823 0.007 0.000 1.025 608 V HN -0.045 nan 8.190 nan 0.000 0.432 609 A N 0.661 123.480 122.820 -0.002 0.000 1.978 609 A HA -0.127 4.191 4.320 -0.003 0.000 0.220 609 A C 1.706 179.284 177.584 -0.009 0.000 1.170 609 A CA 2.138 54.177 52.037 0.004 0.000 0.636 609 A CB -0.776 18.250 19.000 0.043 0.000 0.810 609 A HN 1.045 nan 8.150 nan 0.000 0.448 610 E N -0.375 119.822 120.200 -0.005 0.000 2.265 610 E HA -0.063 4.285 4.350 -0.003 0.000 0.196 610 E C 1.452 178.024 176.600 -0.047 0.000 0.996 610 E CA 0.788 57.184 56.400 -0.008 0.000 0.832 610 E CB -0.164 29.546 29.700 0.016 0.000 0.756 610 E HN 0.654 nan 8.360 nan 0.000 0.491 611 L N -1.750 119.418 121.223 -0.091 0.000 2.640 611 L HA 0.290 4.629 4.340 -0.003 0.000 0.230 611 L C 1.187 177.974 176.870 -0.139 0.000 1.123 611 L CA 0.338 55.080 54.840 -0.163 0.000 0.900 611 L CB 0.465 42.377 42.059 -0.244 0.000 1.146 611 L HN 0.343 nan 8.230 nan 0.000 0.484 612 G N -0.272 108.475 108.800 -0.089 0.000 2.179 612 G HA2 -0.264 3.694 3.960 -0.003 0.000 0.220 612 G HA3 -0.264 3.694 3.960 -0.003 0.000 0.220 612 G C 0.305 175.182 174.900 -0.039 0.000 0.990 612 G CA -0.101 44.972 45.100 -0.046 0.000 0.646 612 G HN 0.288 nan 8.290 nan 0.000 0.517 613 N N -0.835 117.799 118.700 -0.110 0.000 2.696 613 N HA -0.203 4.535 4.740 -0.003 0.000 0.256 613 N C 0.742 176.294 175.510 0.069 0.000 1.031 613 N CA 1.741 54.747 53.050 -0.075 0.000 0.730 613 N CB -1.667 36.840 38.487 0.032 0.000 0.894 613 N HN 1.245 nan 8.380 nan 0.000 0.544 614 W N -2.429 118.935 121.300 0.105 0.000 3.834 614 W HA -0.287 4.372 4.660 -0.003 0.000 0.320 614 W C 0.906 177.518 176.519 0.155 0.000 1.201 614 W CA 0.746 58.180 57.345 0.149 0.000 0.701 614 W CB -1.872 27.627 29.460 0.065 0.000 2.264 614 W HN 0.341 nan 8.180 nan 0.000 1.413 615 S N 0.220 116.055 115.700 0.226 0.000 2.617 615 S HA 0.550 5.018 4.470 -0.003 0.000 0.269 615 S C 1.171 175.806 174.600 0.057 0.000 1.292 615 S CA 0.374 58.652 58.200 0.131 0.000 1.010 615 S CB 1.142 64.381 63.200 0.066 0.000 0.944 615 S HN 0.297 nan 8.310 nan 0.000 0.536 616 T N 0.318 114.827 114.554 -0.075 0.000 3.145 616 T HA 0.421 4.769 4.350 -0.003 0.000 0.281 616 T C 0.825 175.452 174.700 -0.123 0.000 1.003 616 T CA 0.040 61.962 62.100 -0.297 0.000 0.901 616 T CB 0.050 68.498 68.868 -0.700 0.000 1.112 616 T HN 0.597 nan 8.240 nan 0.000 0.535 617 G N 1.944 110.712 108.800 -0.053 0.000 2.829 617 G HA2 0.364 4.322 3.960 -0.003 0.000 0.173 617 G HA3 0.364 4.322 3.960 -0.003 0.000 0.173 617 G C 1.240 176.124 174.900 -0.028 0.000 1.476 617 G CA 0.190 45.263 45.100 -0.046 0.000 1.072 617 G HN 0.415 nan 8.290 nan 0.000 0.577 618 S N -0.956 114.738 115.700 -0.011 0.000 2.522 618 S HA -0.070 4.399 4.470 -0.003 0.000 0.227 618 S C 1.873 176.483 174.600 0.017 0.000 0.986 618 S CA 1.616 59.819 58.200 0.006 0.000 0.929 618 S CB -0.455 62.749 63.200 0.007 0.000 0.769 618 S HN 0.665 nan 8.310 nan 0.000 0.529 619 T N -0.647 113.914 114.554 0.013 0.000 3.100 619 T HA 0.544 4.892 4.350 -0.003 0.000 0.253 619 T C 0.749 175.458 174.700 0.014 0.000 1.118 619 T CA 0.195 62.303 62.100 0.012 0.000 1.058 619 T CB -0.232 68.640 68.868 0.007 0.000 0.953 619 T HN 0.535 nan 8.240 nan 0.000 0.515 620 A N 2.031 124.874 122.820 0.039 0.000 2.386 620 A HA 0.564 4.882 4.320 -0.003 0.000 0.248 620 A C 0.320 177.917 177.584 0.023 0.000 1.082 620 A CA -0.644 51.432 52.037 0.066 0.000 0.789 620 A CB 0.007 19.127 19.000 0.200 0.000 1.025 620 A HN 0.378 nan 8.150 nan 0.000 0.490 621 I N 1.621 122.148 120.570 -0.071 0.000 2.371 621 I HA 0.557 4.725 4.170 -0.003 0.000 0.290 621 I C 0.950 176.861 176.117 -0.342 0.000 1.028 621 I CA 1.127 62.314 61.300 -0.188 0.000 1.345 621 I CB -0.304 37.542 38.000 -0.256 0.000 1.407 621 I HN 0.988 nan 8.210 nan 0.000 0.501 622 G N 8.457 116.950 108.800 -0.511 0.000 2.362 622 G HA2 0.147 4.105 3.960 -0.003 0.000 0.288 622 G HA3 0.147 4.105 3.960 -0.003 0.000 0.288 622 G C -3.178 171.382 174.900 -0.567 0.000 1.305 622 G CA -0.845 43.741 45.100 -0.857 0.000 0.910 622 G HN 0.414 nan 8.290 nan 0.000 0.518 623 P HA 0.528 nan 4.420 nan 0.000 0.275 623 P C 0.352 177.186 177.300 -0.776 0.000 1.228 623 P CA 0.542 63.026 63.100 -1.027 0.000 0.786 623 P CB 1.159 32.470 31.700 -0.647 0.000 0.927 624 A N 2.674 125.131 122.820 -0.606 0.000 2.386 624 A HA 0.401 4.719 4.320 -0.003 0.000 0.246 624 A C -0.077 177.564 177.584 0.096 0.000 1.089 624 A CA -0.082 51.784 52.037 -0.285 0.000 0.790 624 A CB -0.371 18.666 19.000 0.061 0.000 1.042 624 A HN 0.394 nan 8.150 nan 0.000 0.497 625 F N 0.370 120.356 119.950 0.060 0.000 2.378 625 F HA 0.430 4.955 4.527 -0.003 0.000 0.325 625 F C 1.003 176.668 175.800 -0.225 0.000 1.097 625 F CA -0.556 57.328 58.000 -0.194 0.000 1.079 625 F CB 1.117 39.764 39.000 -0.588 0.000 1.240 625 F HN 0.648 nan 8.300 nan 0.000 0.519 626 N N -0.905 117.807 118.700 0.020 0.000 2.423 626 N HA 0.076 4.814 4.740 -0.003 0.000 0.262 626 N C -0.399 175.093 175.510 -0.031 0.000 1.467 626 N CA -0.166 52.809 53.050 -0.125 0.000 0.847 626 N CB -0.157 37.820 38.487 -0.850 0.000 1.394 626 N HN 0.670 nan 8.380 nan 0.000 0.495 627 Q N -0.537 119.310 119.800 0.077 0.000 2.631 627 Q HA 0.285 4.623 4.340 -0.003 0.000 0.220 627 Q C 1.074 177.066 176.000 -0.014 0.000 0.819 627 Q CA 0.460 56.262 55.803 -0.001 0.000 0.914 627 Q CB 0.714 29.424 28.738 -0.047 0.000 1.248 627 Q HN 0.096 nan 8.270 nan 0.000 0.629 628 V N 1.704 121.616 119.914 -0.004 0.000 2.261 628 V HA -0.156 3.963 4.120 -0.003 0.000 0.235 628 V C 2.192 178.126 176.094 -0.266 0.000 1.044 628 V CA 1.155 63.389 62.300 -0.110 0.000 1.007 628 V CB -0.460 31.309 31.823 -0.090 0.000 0.647 628 V HN 0.286 nan 8.190 nan 0.000 0.462 629 I N -0.648 119.612 120.570 -0.516 0.000 2.226 629 I HA -0.078 4.091 4.170 -0.003 0.000 0.245 629 I C 0.956 176.504 176.117 -0.949 0.000 1.100 629 I CA 1.634 62.430 61.300 -0.839 0.000 1.374 629 I CB -1.108 36.154 38.000 -1.231 0.000 1.057 629 I HN 0.410 nan 8.210 nan 0.000 0.413 630 H N 0.300 119.029 119.070 -0.568 0.000 2.806 630 H HA 0.519 5.074 4.556 -0.003 0.000 0.367 630 H C -0.606 174.684 175.328 -0.064 0.000 1.136 630 H CA -0.692 55.204 56.048 -0.253 0.000 1.178 630 H CB 1.840 31.482 29.762 -0.200 0.000 1.718 630 H HN 0.014 nan 8.280 nan 0.000 0.540 631 Q N 0.713 120.546 119.800 0.054 0.000 2.266 631 Q HA 0.207 4.545 4.340 -0.003 0.000 0.261 631 Q C -0.716 175.274 176.000 -0.016 0.000 0.985 631 Q CA -0.857 54.955 55.803 0.014 0.000 0.873 631 Q CB 1.504 30.239 28.738 -0.005 0.000 1.306 631 Q HN 0.476 nan 8.270 nan 0.000 0.447 632 Y N 3.880 124.057 120.300 -0.206 0.000 2.805 632 Y HA 0.024 4.573 4.550 -0.003 0.000 0.337 632 Y C -1.186 174.651 175.900 -0.105 0.000 1.252 632 Y CA -0.899 57.038 58.100 -0.272 0.000 1.515 632 Y CB 0.698 38.967 38.460 -0.318 0.000 1.305 632 Y HN 0.587 nan 8.280 nan 0.000 0.600 633 P HA 0.009 nan 4.420 nan 0.000 0.256 633 P C -0.587 176.577 177.300 -0.226 0.000 1.335 633 P CA 0.308 62.871 63.100 -0.894 0.000 0.808 633 P CB -0.088 31.173 31.700 -0.731 0.000 1.305 634 T N 0.773 115.248 114.554 -0.132 0.000 2.799 634 T HA 0.327 4.675 4.350 -0.003 0.000 0.286 634 T C -0.595 174.157 174.700 0.087 0.000 0.973 634 T CA 0.021 62.145 62.100 0.039 0.000 1.035 634 T CB 0.664 69.539 68.868 0.011 0.000 0.932 634 T HN 0.025 nan 8.240 nan 0.000 0.469 635 W N 2.531 123.844 121.300 0.023 0.000 2.736 635 W HA 0.681 5.340 4.660 -0.002 0.000 0.355 635 W C -0.708 175.950 176.519 0.232 0.000 1.102 635 W CA -0.912 56.509 57.345 0.127 0.000 1.164 635 W CB 0.911 30.367 29.460 -0.006 0.000 1.422 635 W HN 0.725 nan 8.180 nan 0.000 0.572 636 Y N -0.803 119.729 120.300 0.387 0.000 2.656 636 Y HA 0.740 5.288 4.550 -0.002 0.000 0.334 636 Y C -2.188 173.984 175.900 0.454 0.000 1.179 636 Y CA -2.510 55.797 58.100 0.346 0.000 1.050 636 Y CB 1.279 39.901 38.460 0.269 0.000 1.308 636 Y HN 0.493 nan 8.280 nan 0.000 0.456 637 Y N 0.737 121.164 120.300 0.210 0.000 2.521 637 Y HA 0.388 4.936 4.550 -0.003 0.000 0.326 637 Y C -1.879 174.182 175.900 0.269 0.000 1.176 637 Y CA -1.284 56.853 58.100 0.061 0.000 1.079 637 Y CB 1.756 40.141 38.460 -0.126 0.000 1.341 637 Y HN 0.792 nan 8.280 nan 0.000 0.456 638 D N 3.938 124.354 120.400 0.026 0.000 2.274 638 D HA 0.534 5.172 4.640 -0.003 0.000 0.239 638 D C -0.932 175.475 176.300 0.178 0.000 1.104 638 D CA 0.100 54.218 54.000 0.196 0.000 0.840 638 D CB 1.776 42.727 40.800 0.252 0.000 1.100 638 D HN 0.209 nan 8.370 nan 0.000 0.477 639 V N 1.174 121.263 119.914 0.292 0.000 2.656 639 V HA 0.314 4.432 4.120 -0.003 0.000 0.307 639 V C 0.327 176.551 176.094 0.217 0.000 1.051 639 V CA -0.986 61.459 62.300 0.241 0.000 0.893 639 V CB 2.025 33.958 31.823 0.184 0.000 0.999 639 V HN 0.479 nan 8.190 nan 0.000 0.426 640 S N 3.290 119.077 115.700 0.145 0.000 2.455 640 S HA 0.560 5.028 4.470 -0.003 0.000 0.278 640 S C -0.594 174.069 174.600 0.105 0.000 1.216 640 S CA -0.129 58.135 58.200 0.106 0.000 1.055 640 S CB 0.576 63.804 63.200 0.046 0.000 0.939 640 S HN 0.643 nan 8.310 nan 0.000 0.494 641 V N 7.128 127.119 119.914 0.129 0.000 3.040 641 V HA 0.672 4.791 4.120 -0.003 0.000 0.312 641 V C -2.317 173.840 176.094 0.105 0.000 1.115 641 V CA -2.233 60.144 62.300 0.128 0.000 0.998 641 V CB 2.664 34.615 31.823 0.213 0.000 1.042 641 V HN 0.767 nan 8.190 nan 0.000 0.433 642 P HA 0.159 nan 4.420 nan 0.000 0.268 642 P C -0.756 176.585 177.300 0.068 0.000 1.204 642 P CA 0.110 63.250 63.100 0.068 0.000 0.768 642 P CB 0.743 32.478 31.700 0.059 0.000 0.842 643 A N 2.992 125.843 122.820 0.052 0.000 2.388 643 A HA 0.488 4.806 4.320 -0.003 0.000 0.257 643 A C 1.362 178.960 177.584 0.024 0.000 1.095 643 A CA 0.285 52.348 52.037 0.043 0.000 0.791 643 A CB -1.009 18.015 19.000 0.040 0.000 1.029 643 A HN 0.832 nan 8.150 nan 0.000 0.489 644 G N 0.739 109.542 108.800 0.005 0.000 2.366 644 G HA2 -0.214 3.745 3.960 -0.003 0.000 0.299 644 G HA3 -0.214 3.745 3.960 -0.003 0.000 0.299 644 G C -0.048 174.846 174.900 -0.009 0.000 1.020 644 G CA 1.132 46.224 45.100 -0.014 0.000 1.026 644 G HN 0.936 nan 8.290 nan 0.000 0.512 645 K N -0.492 119.904 120.400 -0.006 0.000 2.375 645 K HA 0.535 4.854 4.320 -0.003 0.000 0.249 645 K C -0.003 176.603 176.600 0.011 0.000 0.942 645 K CA -0.749 55.548 56.287 0.017 0.000 0.806 645 K CB 1.177 33.705 32.500 0.046 0.000 1.227 645 K HN 0.098 nan 8.250 nan 0.000 0.430 646 Q N 4.142 123.962 119.800 0.033 0.000 2.349 646 Q HA 0.286 4.624 4.340 -0.003 0.000 0.254 646 Q C -0.932 175.143 176.000 0.125 0.000 0.980 646 Q CA -0.321 55.515 55.803 0.054 0.000 0.924 646 Q CB 0.495 29.263 28.738 0.049 0.000 1.209 646 Q HN 0.557 nan 8.270 nan 0.000 0.445 647 L N 2.514 123.859 121.223 0.204 0.000 2.344 647 L HA 0.522 4.861 4.340 -0.003 0.000 0.272 647 L C 0.032 177.134 176.870 0.388 0.000 1.035 647 L CA -0.614 54.405 54.840 0.299 0.000 0.807 647 L CB 1.472 43.767 42.059 0.393 0.000 1.237 647 L HN 0.458 nan 8.230 nan 0.000 0.442 648 E N 2.013 122.427 120.200 0.357 0.000 2.210 648 E HA 0.625 4.974 4.350 -0.003 0.000 0.266 648 E C -1.532 175.294 176.600 0.376 0.000 0.883 648 E CA -0.492 56.116 56.400 0.348 0.000 0.761 648 E CB 2.489 32.414 29.700 0.376 0.000 1.156 648 E HN 0.400 nan 8.360 nan 0.000 0.412 649 F N -0.153 119.973 119.950 0.293 0.000 2.741 649 F HA 0.685 5.210 4.527 -0.003 0.000 0.313 649 F C -1.402 174.640 175.800 0.403 0.000 1.153 649 F CA -1.044 57.046 58.000 0.150 0.000 0.931 649 F CB 1.558 40.558 39.000 0.000 0.000 1.335 649 F HN 0.123 nan 8.300 nan 0.000 0.460 650 K N 0.915 121.649 120.400 0.557 0.000 2.546 650 K HA 0.557 4.875 4.320 -0.003 0.000 0.264 650 K C -2.056 174.834 176.600 0.484 0.000 0.937 650 K CA -0.665 55.981 56.287 0.599 0.000 0.833 650 K CB 2.645 35.556 32.500 0.685 0.000 1.378 650 K HN 0.572 nan 8.250 nan 0.000 0.432 651 F N 2.096 122.312 119.950 0.442 0.000 2.403 651 F HA 0.561 5.086 4.527 -0.002 0.000 0.326 651 F C 0.060 176.108 175.800 0.413 0.000 1.081 651 F CA -0.279 57.923 58.000 0.337 0.000 1.041 651 F CB 0.869 40.093 39.000 0.373 0.000 1.234 651 F HN 0.378 nan 8.300 nan 0.000 0.503 652 F N -0.922 119.227 119.950 0.331 0.000 2.619 652 F HA 0.676 5.202 4.527 -0.003 0.000 0.308 652 F C -1.644 174.213 175.800 0.095 0.000 1.097 652 F CA -1.545 56.522 58.000 0.113 0.000 0.953 652 F CB 1.243 39.888 39.000 -0.592 0.000 1.287 652 F HN 0.252 nan 8.300 nan 0.000 0.446 653 K N 2.284 122.841 120.400 0.261 0.000 2.130 653 K HA 0.560 4.878 4.320 -0.003 0.000 0.268 653 K C -1.167 175.527 176.600 0.156 0.000 0.983 653 K CA -1.010 55.312 56.287 0.059 0.000 0.893 653 K CB 1.928 34.409 32.500 -0.032 0.000 1.066 653 K HN 0.736 nan 8.250 nan 0.000 0.450 654 K N 2.754 123.228 120.400 0.124 0.000 2.615 654 K HA 0.134 4.452 4.320 -0.003 0.000 0.249 654 K C -0.392 176.270 176.600 0.103 0.000 0.977 654 K CA -0.431 55.921 56.287 0.108 0.000 0.833 654 K CB 0.710 33.240 32.500 0.050 0.000 1.208 654 K HN 0.781 nan 8.250 nan 0.000 0.443 655 N N 2.665 121.404 118.700 0.066 0.000 2.531 655 N HA 0.067 4.805 4.740 -0.003 0.000 0.223 655 N C 1.086 176.624 175.510 0.048 0.000 1.023 655 N CA 0.426 53.513 53.050 0.062 0.000 1.124 655 N CB -0.184 38.332 38.487 0.048 0.000 1.427 655 N HN 0.512 nan 8.380 nan 0.000 0.558 656 G N 0.742 109.562 108.800 0.033 0.000 2.756 656 G HA2 0.089 4.047 3.960 -0.003 0.000 0.203 656 G HA3 0.089 4.047 3.960 -0.003 0.000 0.203 656 G C 0.892 175.797 174.900 0.008 0.000 2.015 656 G CA 0.768 45.881 45.100 0.022 0.000 0.835 656 G HN 0.508 nan 8.290 nan 0.000 0.648 657 S N -0.516 115.188 115.700 0.005 0.000 2.554 657 S HA 0.260 4.728 4.470 -0.003 0.000 0.226 657 S C 0.253 174.851 174.600 -0.004 0.000 0.980 657 S CA -0.133 58.064 58.200 -0.006 0.000 0.939 657 S CB 0.355 63.553 63.200 -0.004 0.000 0.832 657 S HN 0.190 nan 8.310 nan 0.000 0.486 658 T N 4.350 118.910 114.554 0.009 0.000 2.744 658 T HA 0.479 4.827 4.350 -0.003 0.000 0.291 658 T C -0.324 174.387 174.700 0.018 0.000 0.957 658 T CA -0.394 61.718 62.100 0.020 0.000 1.002 658 T CB 0.580 69.468 68.868 0.035 0.000 0.919 658 T HN 0.187 nan 8.240 nan 0.000 0.468 659 I N 3.757 124.328 120.570 0.002 0.000 2.336 659 I HA 0.302 4.470 4.170 -0.003 0.000 0.292 659 I C 0.422 176.560 176.117 0.035 0.000 0.991 659 I CA -0.527 60.742 61.300 -0.051 0.000 1.227 659 I CB 1.143 39.010 38.000 -0.221 0.000 1.366 659 I HN 0.540 nan 8.210 nan 0.000 0.466 660 T N 5.687 120.292 114.554 0.086 0.000 2.864 660 T HA 0.337 4.686 4.350 -0.003 0.000 0.310 660 T C -0.390 174.511 174.700 0.334 0.000 1.040 660 T CA -0.395 61.841 62.100 0.226 0.000 0.977 660 T CB 0.392 69.403 68.868 0.240 0.000 0.976 660 T HN 0.321 nan 8.240 nan 0.000 0.459 661 W N 1.649 123.098 121.300 0.248 0.000 2.141 661 W HA 0.385 5.043 4.660 -0.003 0.000 0.354 661 W C 0.905 177.466 176.519 0.071 0.000 1.297 661 W CA -0.879 56.595 57.345 0.214 0.000 1.380 661 W CB 0.464 29.967 29.460 0.073 0.000 1.168 661 W HN 0.501 nan 8.180 nan 0.000 0.639 662 E N 0.810 121.079 120.200 0.116 0.000 2.354 662 E HA 0.139 4.487 4.350 -0.003 0.000 0.269 662 E C 0.329 176.837 176.600 -0.152 0.000 1.036 662 E CA -0.225 55.901 56.400 -0.457 0.000 0.876 662 E CB 0.869 30.264 29.700 -0.508 0.000 1.009 662 E HN 0.390 nan 8.360 nan 0.000 0.416 663 S N 1.718 117.305 115.700 -0.190 0.000 2.671 663 S HA 0.701 5.170 4.470 -0.003 0.000 0.272 663 S C 0.776 175.281 174.600 -0.158 0.000 1.174 663 S CA -0.196 57.939 58.200 -0.109 0.000 1.004 663 S CB 1.072 64.241 63.200 -0.051 0.000 1.077 663 S HN 0.874 nan 8.310 nan 0.000 0.553 664 G N 0.297 109.018 108.800 -0.131 0.000 2.645 664 G HA2 -0.134 3.824 3.960 -0.003 0.000 0.239 664 G HA3 -0.134 3.824 3.960 -0.003 0.000 0.239 664 G C -0.157 174.634 174.900 -0.180 0.000 1.331 664 G CA -0.211 44.803 45.100 -0.145 0.000 0.890 664 G HN 1.289 nan 8.290 nan 0.000 0.572 665 S N 0.777 116.365 115.700 -0.188 0.000 2.617 665 S HA 0.493 4.962 4.470 -0.003 0.000 0.269 665 S C 0.642 175.083 174.600 -0.265 0.000 1.292 665 S CA -0.639 57.445 58.200 -0.194 0.000 1.010 665 S CB 0.820 63.933 63.200 -0.144 0.000 0.944 665 S HN 0.706 nan 8.310 nan 0.000 0.536 666 N N 2.092 120.672 118.700 -0.200 0.000 2.441 666 N HA 0.060 4.798 4.740 -0.003 0.000 0.251 666 N C -0.140 175.208 175.510 -0.271 0.000 1.242 666 N CA 0.314 53.265 53.050 -0.165 0.000 0.898 666 N CB 0.094 38.602 38.487 0.035 0.000 1.100 666 N HN 0.539 nan 8.380 nan 0.000 0.443 667 H N -0.117 118.761 119.070 -0.320 0.000 2.551 667 H HA 0.256 4.810 4.556 -0.003 0.000 0.358 667 H C 0.267 175.352 175.328 -0.405 0.000 1.151 667 H CA 0.196 55.966 56.048 -0.464 0.000 1.374 667 H CB 0.739 29.957 29.762 -0.906 0.000 1.473 667 H HN 0.494 nan 8.280 nan 0.000 0.574 668 T N -0.341 114.244 114.554 0.051 0.000 2.907 668 T HA 0.582 4.931 4.350 -0.003 0.000 0.292 668 T C -0.858 174.119 174.700 0.461 0.000 1.043 668 T CA -0.917 61.319 62.100 0.226 0.000 1.003 668 T CB 1.904 70.867 68.868 0.159 0.000 1.084 668 T HN 0.421 nan 8.240 nan 0.000 0.483 669 F N 0.683 120.816 119.950 0.304 0.000 2.639 669 F HA 0.484 5.009 4.527 -0.003 0.000 0.320 669 F C -1.245 174.665 175.800 0.182 0.000 1.128 669 F CA -0.485 57.667 58.000 0.253 0.000 1.037 669 F CB 1.722 40.917 39.000 0.325 0.000 1.288 669 F HN 0.743 nan 8.300 nan 0.000 0.463 670 T N 4.087 118.273 114.554 -0.613 0.000 2.733 670 T HA 0.435 4.783 4.350 -0.003 0.000 0.294 670 T C 0.079 174.236 174.700 -0.905 0.000 0.956 670 T CA -0.365 61.439 62.100 -0.493 0.000 0.987 670 T CB 0.746 69.454 68.868 -0.266 0.000 0.920 670 T HN 0.725 nan 8.240 nan 0.000 0.470 671 T N 2.848 117.107 114.554 -0.492 0.000 2.898 671 T HA 0.375 4.723 4.350 -0.003 0.000 0.301 671 T C -2.271 172.335 174.700 -0.157 0.000 1.049 671 T CA -1.604 60.325 62.100 -0.285 0.000 1.095 671 T CB 0.330 69.205 68.868 0.012 0.000 0.976 671 T HN 0.260 nan 8.240 nan 0.000 0.539 672 P HA 0.243 nan 4.420 nan 0.000 0.272 672 P C 0.603 177.912 177.300 0.015 0.000 1.240 672 P CA -0.469 62.630 63.100 -0.001 0.000 0.791 672 P CB 0.559 32.295 31.700 0.059 0.000 0.978 673 A N 1.409 124.239 122.820 0.017 0.000 2.014 673 A HA 0.053 4.372 4.320 -0.003 0.000 0.218 673 A C 1.034 178.641 177.584 0.038 0.000 1.163 673 A CA 1.600 53.650 52.037 0.022 0.000 0.652 673 A CB -0.702 18.309 19.000 0.018 0.000 0.808 673 A HN 0.774 nan 8.150 nan 0.000 0.449 674 S N -4.796 110.935 115.700 0.051 0.000 2.587 674 S HA 0.623 5.091 4.470 -0.003 0.000 0.269 674 S C 0.261 174.915 174.600 0.088 0.000 1.154 674 S CA 0.246 58.485 58.200 0.066 0.000 0.824 674 S CB 0.836 64.071 63.200 0.057 0.000 1.118 674 S HN 2.131 nan 8.310 nan 0.000 0.462 675 G N 0.920 109.786 108.800 0.111 0.000 2.520 675 G HA2 0.185 4.143 3.960 -0.003 0.000 0.248 675 G HA3 0.185 4.143 3.960 -0.003 0.000 0.248 675 G C 0.041 175.043 174.900 0.170 0.000 1.161 675 G CA 0.706 45.891 45.100 0.142 0.000 0.946 675 G HN 2.450 nan 8.290 nan 0.000 0.565 676 T N -2.355 112.298 114.554 0.165 0.000 2.865 676 T HA 1.012 5.360 4.350 -0.003 0.000 0.294 676 T C -0.249 174.542 174.700 0.152 0.000 1.119 676 T CA 0.478 62.685 62.100 0.178 0.000 1.007 676 T CB 1.686 70.671 68.868 0.195 0.000 1.225 676 T HN 2.649 nan 8.240 nan 0.000 0.515 677 A N 0.363 123.270 122.820 0.145 0.000 2.601 677 A HA 0.773 5.092 4.320 -0.003 0.000 0.291 677 A C -0.826 176.773 177.584 0.025 0.000 1.075 677 A CA -0.932 51.183 52.037 0.129 0.000 0.671 677 A CB 1.380 20.535 19.000 0.259 0.000 1.277 677 A HN 0.955 nan 8.150 nan 0.000 0.417 678 T N 0.802 115.334 114.554 -0.037 0.000 2.841 678 T HA 0.563 4.912 4.350 -0.003 0.000 0.285 678 T C -1.335 173.185 174.700 -0.299 0.000 0.991 678 T CA -0.386 61.635 62.100 -0.132 0.000 0.966 678 T CB 1.329 70.182 68.868 -0.026 0.000 0.962 678 T HN 1.432 nan 8.240 nan 0.000 0.438 679 V N 4.251 123.847 119.914 -0.530 0.000 2.444 679 V HA 0.649 4.767 4.120 -0.003 0.000 0.294 679 V C -0.569 175.354 176.094 -0.284 0.000 1.022 679 V CA -0.135 61.791 62.300 -0.624 0.000 0.850 679 V CB 1.580 32.593 31.823 -1.351 0.000 0.992 679 V HN 0.975 nan 8.190 nan 0.000 0.426 680 T N 6.888 121.359 114.554 -0.138 0.000 2.794 680 T HA 0.713 5.061 4.350 -0.003 0.000 0.280 680 T C -0.338 174.360 174.700 -0.003 0.000 0.987 680 T CA -0.262 61.802 62.100 -0.059 0.000 0.993 680 T CB 1.417 70.250 68.868 -0.059 0.000 0.939 680 T HN 1.053 nan 8.240 nan 0.000 0.449 681 V N 0.869 120.786 119.914 0.005 0.000 3.167 681 V HA 0.741 4.859 4.120 -0.003 0.000 0.310 681 V C -1.116 174.982 176.094 0.007 0.000 1.207 681 V CA -1.234 61.062 62.300 -0.007 0.000 1.059 681 V CB 2.393 34.088 31.823 -0.214 0.000 1.079 681 V HN 0.697 nan 8.190 nan 0.000 0.446 682 N N 1.342 120.090 118.700 0.079 0.000 2.361 682 N HA 0.262 5.001 4.740 -0.003 0.000 0.302 682 N C -0.975 174.659 175.510 0.207 0.000 1.074 682 N CA -0.294 52.831 53.050 0.125 0.000 0.850 682 N CB 2.199 40.761 38.487 0.123 0.000 1.228 682 N HN 1.027 nan 8.380 nan 0.000 0.491 683 W N 3.087 124.408 121.300 0.035 0.000 2.397 683 W HA 0.035 4.694 4.660 -0.003 0.000 0.327 683 W C -0.308 176.283 176.519 0.120 0.000 1.421 683 W CA 0.259 57.649 57.345 0.075 0.000 1.288 683 W CB 0.406 29.864 29.460 -0.004 0.000 1.312 683 W HN 0.503 nan 8.180 nan 0.000 0.559 684 Q N 0.000 119.556 119.800 -0.407 0.000 2.315 684 Q HA 0.000 4.338 4.340 -0.003 0.000 0.214 684 Q CA 0.000 55.633 55.803 -0.284 0.000 1.022 684 Q CB 0.000 28.595 28.738 -0.239 0.000 1.108 684 Q HN 0.000 nan 8.270 nan 0.000 0.481