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 5cgt_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 MGVDGIRVAA VKHMPLGWQK SWMSSIYAHK DATA SEQUENCE PVFTFGEWFL 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 0.000 176.279 176.300 -0.036 0.000 2.045 1 D CA 0.000 53.981 54.000 -0.032 0.000 0.868 1 D CB 0.000 40.771 40.800 -0.049 0.000 0.688 2 P HA 0.085 nan 4.420 nan 0.000 0.274 2 P C 0.609 177.872 177.300 -0.061 0.000 1.246 2 P CA -0.121 62.949 63.100 -0.050 0.000 0.795 2 P CB 1.041 32.708 31.700 -0.055 0.000 1.006 3 D N -0.591 119.778 120.400 -0.052 0.000 2.221 3 D HA -0.143 4.495 4.640 -0.003 0.000 0.204 3 D C 1.370 177.616 176.300 -0.090 0.000 0.982 3 D CA 1.475 55.449 54.000 -0.043 0.000 0.857 3 D CB -1.360 39.455 40.800 0.024 0.000 0.934 3 D HN 0.242 nan 8.370 nan 0.000 0.475 4 T N -0.300 114.194 114.554 -0.100 0.000 3.085 4 T HA 0.253 4.601 4.350 -0.003 0.000 0.263 4 T C 0.874 175.486 174.700 -0.147 0.000 1.127 4 T CA 0.412 62.431 62.100 -0.135 0.000 1.103 4 T CB -0.261 68.536 68.868 -0.118 0.000 0.921 4 T HN 0.386 nan 8.240 nan 0.000 0.510 5 A N 0.314 123.055 122.820 -0.132 0.000 2.332 5 A HA 0.430 4.748 4.320 -0.003 0.000 0.258 5 A C 1.637 179.111 177.584 -0.183 0.000 1.087 5 A CA -0.323 51.632 52.037 -0.136 0.000 0.802 5 A CB 0.301 19.235 19.000 -0.109 0.000 1.042 5 A HN 0.200 nan 8.150 nan 0.000 0.489 6 V N 1.582 121.385 119.914 -0.185 0.000 3.141 6 V HA -0.095 4.023 4.120 -0.003 0.000 0.265 6 V C 1.945 177.877 176.094 -0.271 0.000 1.126 6 V CA 2.674 64.832 62.300 -0.237 0.000 1.141 6 V CB -0.921 30.781 31.823 -0.203 0.000 0.743 6 V HN 0.955 nan 8.190 nan 0.000 0.492 7 T N 0.841 115.268 114.554 -0.212 0.000 3.051 7 T HA -0.060 4.288 4.350 -0.003 0.000 0.269 7 T C 1.086 175.697 174.700 -0.148 0.000 1.127 7 T CA 0.840 62.831 62.100 -0.182 0.000 1.107 7 T CB -0.507 68.286 68.868 -0.126 0.000 0.898 7 T HN 0.461 nan 8.240 nan 0.000 0.517 8 N N 1.840 120.439 118.700 -0.169 0.000 2.968 8 N HA 0.111 4.849 4.740 -0.003 0.000 0.271 8 N C 0.760 176.188 175.510 -0.137 0.000 1.174 8 N CA -0.039 52.928 53.050 -0.139 0.000 1.096 8 N CB 0.278 38.671 38.487 -0.157 0.000 1.403 8 N HN 0.292 nan 8.380 nan 0.000 0.522 9 K N 0.942 121.323 120.400 -0.032 0.000 2.365 9 K HA -0.066 4.252 4.320 -0.003 0.000 0.199 9 K C 0.839 177.600 176.600 0.268 0.000 1.045 9 K CA 0.878 57.235 56.287 0.117 0.000 0.962 9 K CB 0.386 32.961 32.500 0.124 0.000 0.759 9 K HN 0.375 nan 8.250 nan 0.000 0.469 10 Q N -0.198 119.703 119.800 0.168 0.000 2.424 10 Q HA 0.116 4.454 4.340 -0.003 0.000 0.204 10 Q C -0.008 176.163 176.000 0.285 0.000 0.933 10 Q CA 0.192 56.136 55.803 0.235 0.000 0.929 10 Q CB 1.081 29.903 28.738 0.139 0.000 1.037 10 Q HN -0.045 nan 8.270 nan 0.000 0.511 11 S N -0.940 114.828 115.700 0.113 0.000 2.614 11 S HA 0.467 4.936 4.470 -0.003 0.000 0.275 11 S C -1.136 173.293 174.600 -0.285 0.000 1.161 11 S CA -0.623 57.502 58.200 -0.126 0.000 0.969 11 S CB 0.261 63.282 63.200 -0.298 0.000 1.059 11 S HN 0.144 nan 8.310 nan 0.000 0.482 12 F N 2.365 121.834 119.950 -0.803 0.000 2.654 12 F HA 0.308 4.833 4.527 -0.003 0.000 0.303 12 F C 2.073 177.535 175.800 -0.563 0.000 1.099 12 F CA -0.194 57.381 58.000 -0.708 0.000 1.270 12 F CB 0.258 38.665 39.000 -0.989 0.000 1.024 12 F HN 0.514 nan 8.300 nan 0.000 0.548 13 S N -0.392 115.066 115.700 -0.402 0.000 2.400 13 S HA -0.187 4.281 4.470 -0.003 0.000 0.232 13 S C 2.203 176.558 174.600 -0.408 0.000 1.025 13 S CA 2.025 60.000 58.200 -0.374 0.000 0.993 13 S CB -0.522 62.458 63.200 -0.368 0.000 0.808 13 S HN 0.553 nan 8.310 nan 0.000 0.478 14 T N -0.656 113.646 114.554 -0.419 0.000 3.129 14 T HA 0.136 4.484 4.350 -0.003 0.000 0.251 14 T C 0.136 174.660 174.700 -0.293 0.000 1.117 14 T CA -0.096 61.773 62.100 -0.385 0.000 1.034 14 T CB -0.027 68.627 68.868 -0.358 0.000 0.968 14 T HN 0.103 nan 8.240 nan 0.000 0.526 15 D N 0.864 121.099 120.400 -0.276 0.000 2.326 15 D HA 0.534 5.172 4.640 -0.003 0.000 0.251 15 D C -0.865 175.356 176.300 -0.131 0.000 1.023 15 D CA -0.478 53.395 54.000 -0.211 0.000 0.966 15 D CB 2.560 43.208 40.800 -0.254 0.000 1.156 15 D HN 0.020 nan 8.370 nan 0.000 0.494 16 V N 1.916 121.783 119.914 -0.078 0.000 2.443 16 V HA 0.327 4.445 4.120 -0.003 0.000 0.293 16 V C 0.234 176.359 176.094 0.052 0.000 1.021 16 V CA -0.709 61.575 62.300 -0.027 0.000 0.848 16 V CB 1.527 33.323 31.823 -0.045 0.000 0.998 16 V HN 0.368 nan 8.190 nan 0.000 0.424 17 I N 4.485 125.128 120.570 0.121 0.000 2.428 17 I HA 0.319 4.487 4.170 -0.003 0.000 0.289 17 I C -0.855 175.427 176.117 0.275 0.000 1.019 17 I CA -0.496 60.938 61.300 0.223 0.000 1.351 17 I CB 0.989 39.160 38.000 0.285 0.000 1.412 17 I HN 0.601 nan 8.210 nan 0.000 0.513 18 Y N 6.185 126.548 120.300 0.105 0.000 2.356 18 Y HA 0.218 4.767 4.550 -0.003 0.000 0.334 18 Y C -0.002 175.958 175.900 0.100 0.000 0.958 18 Y CA -0.549 57.599 58.100 0.081 0.000 1.196 18 Y CB 0.938 39.377 38.460 -0.036 0.000 1.137 18 Y HN 0.489 nan 8.280 nan 0.000 0.485 19 Q N 6.097 125.821 119.800 -0.126 0.000 2.337 19 Q HA 0.465 4.803 4.340 -0.003 0.000 0.255 19 Q C -1.721 174.122 176.000 -0.260 0.000 0.997 19 Q CA -0.326 55.319 55.803 -0.262 0.000 0.925 19 Q CB 1.018 29.501 28.738 -0.425 0.000 1.212 19 Q HN 0.624 nan 8.270 nan 0.000 0.436 20 V N 6.017 125.764 119.914 -0.279 0.000 2.540 20 V HA 0.395 4.513 4.120 -0.003 0.000 0.302 20 V C -1.302 174.661 176.094 -0.219 0.000 1.035 20 V CA -0.694 61.445 62.300 -0.268 0.000 0.873 20 V CB 1.425 33.040 31.823 -0.347 0.000 0.992 20 V HN 0.744 nan 8.190 nan 0.000 0.428 21 F N 5.527 125.188 119.950 -0.480 0.000 2.423 21 F HA 0.314 4.839 4.527 -0.003 0.000 0.356 21 F C 1.843 177.480 175.800 -0.273 0.000 1.170 21 F CA 0.267 58.093 58.000 -0.291 0.000 1.163 21 F CB 0.910 39.841 39.000 -0.115 0.000 1.318 21 F HN 0.732 nan 8.300 nan 0.000 0.569 22 T N 1.450 115.846 114.554 -0.263 0.000 2.653 22 T HA -0.361 3.987 4.350 -0.003 0.000 0.267 22 T C 1.710 176.390 174.700 -0.033 0.000 1.037 22 T CA 2.229 64.171 62.100 -0.265 0.000 1.159 22 T CB -0.296 68.090 68.868 -0.803 0.000 0.859 22 T HN 0.613 nan 8.240 nan 0.000 0.449 23 D N 0.281 120.745 120.400 0.105 0.000 2.178 23 D HA -0.087 4.551 4.640 -0.003 0.000 0.201 23 D C 2.035 178.488 176.300 0.256 0.000 0.980 23 D CA 0.701 54.897 54.000 0.326 0.000 0.842 23 D CB 0.150 41.221 40.800 0.452 0.000 0.948 23 D HN 0.128 nan 8.370 nan 0.000 0.472 24 R N -0.665 119.964 120.500 0.214 0.000 2.359 24 R HA 0.097 4.436 4.340 -0.003 0.000 0.231 24 R C 0.901 177.289 176.300 0.147 0.000 0.913 24 R CA -0.118 56.076 56.100 0.157 0.000 1.075 24 R CB -0.328 30.077 30.300 0.175 0.000 1.087 24 R HN 0.295 nan 8.270 nan 0.000 0.515 25 F N 0.226 120.170 119.950 -0.010 0.000 2.213 25 F HA 0.295 4.820 4.527 -0.003 0.000 0.272 25 F C 0.541 176.464 175.800 0.204 0.000 1.095 25 F CA 0.615 58.665 58.000 0.083 0.000 1.128 25 F CB 0.480 39.537 39.000 0.094 0.000 1.091 25 F HN -0.187 nan 8.300 nan 0.000 0.530 26 L N 1.134 122.534 121.223 0.296 0.000 2.526 26 L HA 0.240 4.578 4.340 -0.003 0.000 0.263 26 L C -1.791 175.174 176.870 0.158 0.000 0.943 26 L CA -0.536 54.385 54.840 0.136 0.000 0.859 26 L CB 1.576 43.634 42.059 -0.002 0.000 1.313 26 L HN 0.090 nan 8.230 nan 0.000 0.406 27 D N 2.579 123.047 120.400 0.114 0.000 2.517 27 D HA 0.290 4.929 4.640 -0.003 0.000 0.220 27 D C 1.172 177.516 176.300 0.073 0.000 1.158 27 D CA 0.151 54.218 54.000 0.111 0.000 0.992 27 D CB 1.164 42.033 40.800 0.115 0.000 1.058 27 D HN 0.730 nan 8.370 nan 0.000 0.516 28 G N 2.903 111.751 108.800 0.080 0.000 2.534 28 G HA2 -0.164 3.794 3.960 -0.003 0.000 0.217 28 G HA3 -0.164 3.794 3.960 -0.003 0.000 0.217 28 G C 0.746 175.675 174.900 0.049 0.000 1.128 28 G CA -0.093 45.040 45.100 0.055 0.000 0.784 28 G HN 0.448 nan 8.290 nan 0.000 0.542 29 N N -0.642 118.090 118.700 0.055 0.000 2.533 29 N HA 0.320 5.058 4.740 -0.003 0.000 0.289 29 N C -2.550 172.970 175.510 0.016 0.000 1.103 29 N CA -1.786 51.285 53.050 0.035 0.000 0.877 29 N CB 2.498 41.012 38.487 0.044 0.000 1.419 29 N HN -0.240 nan 8.380 nan 0.000 0.517 30 P HA 0.126 nan 4.420 nan 0.000 0.230 30 P C 0.922 178.171 177.300 -0.086 0.000 1.168 30 P CA 0.516 63.594 63.100 -0.036 0.000 0.793 30 P CB 0.529 32.221 31.700 -0.014 0.000 0.851 31 S N 0.975 116.641 115.700 -0.056 0.000 2.383 31 S HA -0.153 4.316 4.470 -0.003 0.000 0.229 31 S C 1.535 176.085 174.600 -0.083 0.000 1.030 31 S CA 1.668 59.830 58.200 -0.065 0.000 1.002 31 S CB -1.157 62.022 63.200 -0.035 0.000 0.829 31 S HN 0.373 nan 8.310 nan 0.000 0.467 32 N N 1.529 120.190 118.700 -0.065 0.000 2.461 32 N HA 0.030 4.768 4.740 -0.003 0.000 0.188 32 N C -0.506 174.950 175.510 -0.091 0.000 1.134 32 N CA -0.033 52.988 53.050 -0.049 0.000 0.878 32 N CB -0.617 37.861 38.487 -0.014 0.000 0.972 32 N HN 0.107 nan 8.380 nan 0.000 0.456 33 N N 1.847 120.407 118.700 -0.233 0.000 2.479 33 N HA 0.223 4.961 4.740 -0.003 0.000 0.257 33 N C -2.253 172.869 175.510 -0.648 0.000 1.232 33 N CA -1.101 51.653 53.050 -0.492 0.000 0.920 33 N CB 0.118 38.145 38.487 -0.766 0.000 1.105 33 N HN 0.182 nan 8.380 nan 0.000 0.444 34 P HA 0.186 nan 4.420 nan 0.000 0.273 34 P C -0.432 176.555 177.300 -0.522 0.000 1.250 34 P CA 0.029 62.593 63.100 -0.894 0.000 0.793 34 P CB 0.578 31.625 31.700 -1.088 0.000 1.011 35 T N -0.070 114.307 114.554 -0.295 0.000 2.887 35 T HA 0.609 4.957 4.350 -0.003 0.000 0.288 35 T C 0.078 174.751 174.700 -0.045 0.000 1.021 35 T CA 0.451 62.466 62.100 -0.142 0.000 1.000 35 T CB 1.313 70.102 68.868 -0.132 0.000 1.034 35 T HN 0.800 nan 8.240 nan 0.000 0.467 36 G N 1.911 110.720 108.800 0.015 0.000 2.525 36 G HA2 -0.038 3.921 3.960 -0.003 0.000 0.248 36 G HA3 -0.038 3.921 3.960 -0.003 0.000 0.248 36 G C 1.212 176.141 174.900 0.048 0.000 1.238 36 G CA 0.067 45.182 45.100 0.025 0.000 0.926 36 G HN 1.221 nan 8.290 nan 0.000 0.574 37 A N -0.635 122.207 122.820 0.035 0.000 2.032 37 A HA 0.216 4.534 4.320 -0.003 0.000 0.221 37 A C 2.864 180.489 177.584 0.068 0.000 1.165 37 A CA 3.481 55.543 52.037 0.042 0.000 0.645 37 A CB -0.859 18.163 19.000 0.036 0.000 0.807 37 A HN 2.375 nan 8.150 nan 0.000 0.453 38 A N -2.628 120.242 122.820 0.083 0.000 2.119 38 A HA 0.273 4.591 4.320 -0.003 0.000 0.216 38 A C 0.729 178.431 177.584 0.196 0.000 1.152 38 A CA 0.592 52.712 52.037 0.140 0.000 0.708 38 A CB -0.240 18.819 19.000 0.098 0.000 0.805 38 A HN 0.563 nan 8.150 nan 0.000 0.460 39 Y N -0.235 120.053 120.300 -0.021 0.000 2.409 39 Y HA 0.547 5.095 4.550 -0.003 0.000 0.339 39 Y C -1.454 174.439 175.900 -0.011 0.000 1.033 39 Y CA -2.051 56.032 58.100 -0.029 0.000 1.094 39 Y CB 1.564 39.963 38.460 -0.102 0.000 1.210 39 Y HN 0.133 nan 8.280 nan 0.000 0.456 40 D N 3.846 123.786 120.400 -0.767 0.000 2.375 40 D HA 0.401 5.039 4.640 -0.003 0.000 0.241 40 D C 0.085 175.937 176.300 -0.746 0.000 1.361 40 D CA 0.161 53.795 54.000 -0.609 0.000 0.995 40 D CB 1.210 41.850 40.800 -0.266 0.000 1.312 40 D HN 0.696 nan 8.370 nan 0.000 0.576 41 A N 2.357 124.699 122.820 -0.797 0.000 1.908 41 A HA -0.154 4.165 4.320 -0.003 0.000 0.218 41 A C 1.973 179.445 177.584 -0.188 0.000 1.181 41 A CA 2.276 54.065 52.037 -0.415 0.000 0.627 41 A CB -0.874 18.027 19.000 -0.164 0.000 0.818 41 A HN 0.645 nan 8.150 nan 0.000 0.445 42 T N -5.092 109.365 114.554 -0.161 0.000 3.072 42 T HA -0.053 4.295 4.350 -0.003 0.000 0.266 42 T C 0.948 175.596 174.700 -0.087 0.000 1.127 42 T CA 0.689 62.733 62.100 -0.094 0.000 1.107 42 T CB -1.344 67.478 68.868 -0.077 0.000 0.910 42 T HN 1.103 nan 8.240 nan 0.000 0.513 43 c N 2.397 120.923 118.600 -0.123 0.000 4.167 43 c HA -0.213 4.355 4.570 -0.003 0.000 0.302 43 c C 1.845 175.889 174.090 -0.077 0.000 1.384 43 c CA 0.624 56.894 56.329 -0.099 0.000 2.041 43 c CB -2.727 39.749 42.510 -0.056 0.000 1.303 43 c HN 0.876 nan 8.230 nan 0.000 0.718 44 S N -1.166 114.486 115.700 -0.080 0.000 2.483 44 S HA 0.070 4.538 4.470 -0.003 0.000 0.221 44 S C 0.502 175.068 174.600 -0.056 0.000 1.030 44 S CA 0.662 58.827 58.200 -0.058 0.000 0.925 44 S CB -0.118 63.052 63.200 -0.050 0.000 0.795 44 S HN 0.798 nan 8.310 nan 0.000 0.511 45 N N 1.939 120.596 118.700 -0.071 0.000 2.558 45 N HA 0.228 4.967 4.740 -0.003 0.000 0.233 45 N C 0.204 175.655 175.510 -0.098 0.000 1.038 45 N CA -0.503 52.511 53.050 -0.060 0.000 0.934 45 N CB 0.502 38.960 38.487 -0.048 0.000 1.175 45 N HN 0.047 nan 8.380 nan 0.000 0.512 46 L N 2.357 123.523 121.223 -0.095 0.000 2.642 46 L HA 0.015 4.353 4.340 -0.003 0.000 0.236 46 L C 1.701 178.397 176.870 -0.289 0.000 1.169 46 L CA 0.996 55.736 54.840 -0.167 0.000 0.851 46 L CB -0.488 41.517 42.059 -0.090 0.000 0.968 46 L HN 0.427 nan 8.230 nan 0.000 0.453 47 K N -0.746 119.564 120.400 -0.149 0.000 2.374 47 K HA 0.294 4.612 4.320 -0.003 0.000 0.196 47 K C 0.423 176.979 176.600 -0.074 0.000 1.023 47 K CA 0.113 56.371 56.287 -0.048 0.000 1.103 47 K CB 0.434 33.004 32.500 0.118 0.000 0.848 47 K HN 0.236 nan 8.250 nan 0.000 0.528 48 L N -0.173 120.952 121.223 -0.163 0.000 2.313 48 L HA 0.368 4.707 4.340 -0.003 0.000 0.268 48 L C 0.176 176.978 176.870 -0.113 0.000 1.010 48 L CA -1.353 53.450 54.840 -0.060 0.000 0.814 48 L CB 0.478 42.526 42.059 -0.018 0.000 1.304 48 L HN -0.101 nan 8.230 nan 0.000 0.441 49 Y N -0.717 119.581 120.300 -0.005 0.000 2.550 49 Y HA -0.052 4.496 4.550 -0.003 0.000 0.343 49 Y C 0.891 176.810 175.900 0.032 0.000 1.245 49 Y CA 0.291 58.423 58.100 0.053 0.000 1.462 49 Y CB 0.659 39.145 38.460 0.044 0.000 1.340 49 Y HN 0.529 nan 8.280 nan 0.000 0.604 50 c N 0.722 119.481 118.600 0.264 0.000 3.642 50 c HA 0.345 4.913 4.570 -0.003 0.000 0.305 50 c C 1.426 175.709 174.090 0.320 0.000 1.492 50 c CA 0.006 56.427 56.329 0.154 0.000 1.809 50 c CB -0.209 42.338 42.510 0.062 0.000 2.639 50 c HN 1.214 nan 8.230 nan 0.000 0.672 51 G N 1.067 110.115 108.800 0.413 0.000 2.176 51 G HA2 -0.108 3.850 3.960 -0.003 0.000 0.253 51 G HA3 -0.108 3.850 3.960 -0.003 0.000 0.253 51 G C 0.412 175.466 174.900 0.257 0.000 0.979 51 G CA 0.107 45.394 45.100 0.311 0.000 0.641 51 G HN 0.870 nan 8.290 nan 0.000 0.530 52 G N 0.499 109.466 108.800 0.279 0.000 2.353 52 G HA2 0.513 4.471 3.960 -0.003 0.000 0.239 52 G HA3 0.513 4.471 3.960 -0.003 0.000 0.239 52 G C 0.087 175.132 174.900 0.243 0.000 1.295 52 G CA 1.029 46.275 45.100 0.243 0.000 0.884 52 G HN 1.042 nan 8.290 nan 0.000 0.537 53 D N -0.314 120.196 120.400 0.184 0.000 2.744 53 D HA 0.283 4.922 4.640 -0.003 0.000 0.304 53 D C 0.500 176.905 176.300 0.175 0.000 1.179 53 D CA -0.929 53.139 54.000 0.113 0.000 1.024 53 D CB 0.308 41.164 40.800 0.093 0.000 1.453 53 D HN 0.306 nan 8.370 nan 0.000 0.529 54 W N -0.507 120.885 121.300 0.152 0.000 2.402 54 W HA -0.017 4.641 4.660 -0.003 0.000 0.286 54 W C 2.095 178.678 176.519 0.107 0.000 1.221 54 W CA 0.876 58.289 57.345 0.113 0.000 1.257 54 W CB -0.940 28.607 29.460 0.145 0.000 1.120 54 W HN 0.557 nan 8.180 nan 0.000 0.551 55 Q N 0.377 120.355 119.800 0.296 0.000 2.170 55 Q HA -0.069 4.269 4.340 -0.003 0.000 0.203 55 Q C 2.354 178.454 176.000 0.166 0.000 0.976 55 Q CA 2.286 58.206 55.803 0.195 0.000 0.858 55 Q CB -0.871 27.951 28.738 0.139 0.000 0.907 55 Q HN 0.157 nan 8.270 nan 0.000 0.433 56 G N 0.361 109.272 108.800 0.186 0.000 2.421 56 G HA2 -0.208 3.750 3.960 -0.003 0.000 0.216 56 G HA3 -0.208 3.750 3.960 -0.003 0.000 0.216 56 G C 1.335 176.383 174.900 0.246 0.000 1.171 56 G CA 0.844 46.049 45.100 0.175 0.000 0.775 56 G HN 0.378 nan 8.290 nan 0.000 0.543 57 L N 0.200 121.616 121.223 0.322 0.000 2.017 57 L HA -0.055 4.284 4.340 -0.003 0.000 0.208 57 L C 2.918 179.961 176.870 0.289 0.000 1.073 57 L CA 0.846 55.902 54.840 0.359 0.000 0.745 57 L CB -0.415 41.809 42.059 0.275 0.000 0.894 57 L HN 0.214 nan 8.230 nan 0.000 0.432 58 I N -0.033 120.658 120.570 0.202 0.000 2.208 58 I HA -0.323 3.846 4.170 -0.003 0.000 0.245 58 I C 2.230 178.414 176.117 0.111 0.000 1.097 58 I CA 1.229 62.612 61.300 0.138 0.000 1.363 58 I CB -0.560 37.505 38.000 0.110 0.000 1.051 58 I HN 0.378 nan 8.210 nan 0.000 0.413 59 N N 1.121 119.872 118.700 0.084 0.000 2.104 59 N HA -0.162 4.576 4.740 -0.003 0.000 0.190 59 N C 1.724 177.222 175.510 -0.020 0.000 1.024 59 N CA 1.213 54.273 53.050 0.016 0.000 0.853 59 N CB -0.258 38.212 38.487 -0.027 0.000 1.008 59 N HN 0.261 nan 8.380 nan 0.000 0.424 60 K N 0.778 121.168 120.400 -0.017 0.000 2.288 60 K HA 0.106 4.425 4.320 -0.003 0.000 0.201 60 K C 2.081 178.678 176.600 -0.004 0.000 1.048 60 K CA 0.224 56.437 56.287 -0.124 0.000 0.956 60 K CB -0.238 32.111 32.500 -0.251 0.000 0.746 60 K HN 0.318 nan 8.250 nan 0.000 0.461 61 I N 1.474 122.154 120.570 0.182 0.000 2.233 61 I HA -0.250 3.918 4.170 -0.003 0.000 0.243 61 I C 1.716 177.913 176.117 0.132 0.000 1.093 61 I CA 0.937 62.398 61.300 0.268 0.000 1.380 61 I CB -0.270 37.871 38.000 0.236 0.000 1.067 61 I HN 0.141 nan 8.210 nan 0.000 0.413 62 N N 1.261 120.010 118.700 0.082 0.000 2.223 62 N HA -0.179 4.560 4.740 -0.003 0.000 0.185 62 N C 0.894 176.424 175.510 0.032 0.000 1.016 62 N CA 1.569 54.648 53.050 0.048 0.000 0.863 62 N CB -0.496 38.011 38.487 0.033 0.000 0.983 62 N HN 0.541 nan 8.380 nan 0.000 0.429 63 D N -0.215 120.194 120.400 0.016 0.000 2.370 63 D HA 0.051 4.690 4.640 -0.003 0.000 0.230 63 D C -0.160 176.164 176.300 0.041 0.000 1.143 63 D CA -0.303 53.703 54.000 0.009 0.000 0.834 63 D CB -0.541 40.240 40.800 -0.031 0.000 0.944 63 D HN -0.107 nan 8.370 nan 0.000 0.504 64 N N -0.474 118.263 118.700 0.062 0.000 2.681 64 N HA -0.328 4.410 4.740 -0.003 0.000 0.250 64 N C 0.253 175.823 175.510 0.101 0.000 1.133 64 N CA 0.889 53.988 53.050 0.081 0.000 0.732 64 N CB -1.643 36.881 38.487 0.061 0.000 1.107 64 N HN 0.516 nan 8.380 nan 0.000 0.559 65 Y N 0.331 120.591 120.300 -0.066 0.000 2.128 65 Y HA -0.181 4.367 4.550 -0.003 0.000 0.284 65 Y C 1.905 177.793 175.900 -0.021 0.000 1.154 65 Y CA 1.945 60.004 58.100 -0.069 0.000 1.149 65 Y CB -0.430 37.885 38.460 -0.242 0.000 0.976 65 Y HN 0.096 nan 8.280 nan 0.000 0.505 66 F N -0.560 119.438 119.950 0.080 0.000 2.206 66 F HA -0.112 4.413 4.527 -0.003 0.000 0.298 66 F C 2.641 178.361 175.800 -0.135 0.000 1.090 66 F CA 1.454 59.383 58.000 -0.118 0.000 1.323 66 F CB -1.134 37.843 39.000 -0.038 0.000 1.028 66 F HN -0.071 nan 8.300 nan 0.000 0.492 67 S N -0.394 115.385 115.700 0.132 0.000 2.402 67 S HA -0.148 4.320 4.470 -0.003 0.000 0.229 67 S C 1.500 176.101 174.600 0.003 0.000 1.021 67 S CA 1.302 59.534 58.200 0.052 0.000 0.974 67 S CB -0.255 62.979 63.200 0.057 0.000 0.800 67 S HN 0.331 nan 8.310 nan 0.000 0.484 68 D N 0.875 121.282 120.400 0.011 0.000 2.249 68 D HA 0.058 4.696 4.640 -0.003 0.000 0.205 68 D C 1.702 177.958 176.300 -0.074 0.000 0.962 68 D CA 0.298 54.321 54.000 0.039 0.000 0.860 68 D CB -0.162 40.727 40.800 0.148 0.000 0.955 68 D HN 0.235 nan 8.370 nan 0.000 0.505 69 L N -0.138 120.911 121.223 -0.290 0.000 2.240 69 L HA 0.157 4.496 4.340 -0.003 0.000 0.211 69 L C 1.548 178.176 176.870 -0.404 0.000 1.106 69 L CA 1.735 56.143 54.840 -0.721 0.000 0.793 69 L CB -0.127 41.432 42.059 -0.833 0.000 0.927 69 L HN 0.216 nan 8.230 nan 0.000 0.446 70 G N -1.164 107.508 108.800 -0.213 0.000 2.195 70 G HA2 -0.222 3.736 3.960 -0.003 0.000 0.224 70 G HA3 -0.222 3.736 3.960 -0.003 0.000 0.224 70 G C 0.384 175.215 174.900 -0.116 0.000 0.990 70 G CA 0.228 45.239 45.100 -0.148 0.000 0.639 70 G HN 0.802 nan 8.290 nan 0.000 0.514 71 V N 0.457 120.304 119.914 -0.112 0.000 2.655 71 V HA 0.642 4.760 4.120 -0.003 0.000 0.300 71 V C 1.217 177.265 176.094 -0.076 0.000 1.044 71 V CA 1.384 63.639 62.300 -0.074 0.000 1.095 71 V CB 1.149 32.929 31.823 -0.071 0.000 0.952 71 V HN 1.010 nan 8.190 nan 0.000 0.485 72 T N 0.430 114.941 114.554 -0.071 0.000 3.044 72 T HA 0.718 5.067 4.350 -0.003 0.000 0.260 72 T C 0.354 175.008 174.700 -0.076 0.000 1.019 72 T CA 0.375 62.422 62.100 -0.089 0.000 0.921 72 T CB 0.212 69.003 68.868 -0.129 0.000 1.053 72 T HN 1.711 nan 8.240 nan 0.000 0.533 73 A N 0.918 123.725 122.820 -0.021 0.000 2.594 73 A HA 0.773 5.092 4.320 -0.003 0.000 0.295 73 A C -1.763 175.863 177.584 0.071 0.000 1.071 73 A CA -0.895 51.179 52.037 0.061 0.000 0.685 73 A CB 1.272 20.399 19.000 0.211 0.000 1.285 73 A HN 0.348 nan 8.150 nan 0.000 0.405 74 L N 1.402 122.672 121.223 0.079 0.000 2.356 74 L HA 0.486 4.824 4.340 -0.003 0.000 0.277 74 L C -1.228 175.778 176.870 0.227 0.000 0.996 74 L CA -0.393 54.479 54.840 0.053 0.000 0.822 74 L CB 1.863 43.839 42.059 -0.139 0.000 1.256 74 L HN 0.834 nan 8.230 nan 0.000 0.413 75 W N 7.156 128.494 121.300 0.062 0.000 2.329 75 W HA 0.602 5.260 4.660 -0.003 0.000 0.312 75 W C -0.739 175.788 176.519 0.014 0.000 1.054 75 W CA -1.558 55.837 57.345 0.083 0.000 1.245 75 W CB 0.623 30.176 29.460 0.156 0.000 1.255 75 W HN 0.364 nan 8.180 nan 0.000 0.436 76 I N 2.385 123.118 120.570 0.273 0.000 2.947 76 I HA 0.620 4.788 4.170 -0.003 0.000 0.314 76 I C 0.456 176.558 176.117 -0.025 0.000 1.028 76 I CA -0.969 60.339 61.300 0.012 0.000 1.077 76 I CB 1.350 39.357 38.000 0.011 0.000 1.274 76 I HN 0.163 nan 8.210 nan 0.000 0.485 77 S N 1.364 116.920 115.700 -0.240 0.000 2.569 77 S HA -0.029 4.440 4.470 -0.003 0.000 0.274 77 S C 0.002 174.525 174.600 -0.129 0.000 1.353 77 S CA -0.345 57.643 58.200 -0.354 0.000 1.023 77 S CB 0.306 63.195 63.200 -0.519 0.000 0.876 77 S HN 0.698 nan 8.310 nan 0.000 0.540 78 Q N 2.923 122.619 119.800 -0.174 0.000 2.262 78 Q HA -0.001 4.338 4.340 -0.003 0.000 0.298 78 Q C -1.433 174.585 176.000 0.029 0.000 1.083 78 Q CA -1.117 54.647 55.803 -0.065 0.000 0.962 78 Q CB 0.592 29.266 28.738 -0.107 0.000 1.104 78 Q HN 0.340 nan 8.270 nan 0.000 0.376 79 P HA -0.076 nan 4.420 nan 0.000 0.229 79 P C 0.479 177.825 177.300 0.078 0.000 1.160 79 P CA 0.455 63.619 63.100 0.108 0.000 0.777 79 P CB -0.151 31.306 31.700 -0.406 0.000 0.814 80 V N -1.396 118.452 119.914 -0.109 0.000 3.096 80 V HA 0.163 4.282 4.120 -0.003 0.000 0.306 80 V C 0.503 176.555 176.094 -0.070 0.000 1.088 80 V CA -0.881 61.413 62.300 -0.010 0.000 1.129 80 V CB -0.091 31.640 31.823 -0.152 0.000 1.014 80 V HN -0.015 nan 8.190 nan 0.000 0.486 81 E N 2.941 123.103 120.200 -0.063 0.000 2.417 81 E HA 0.092 4.440 4.350 -0.003 0.000 0.261 81 E C -0.060 176.381 176.600 -0.264 0.000 1.000 81 E CA 0.085 56.376 56.400 -0.182 0.000 0.919 81 E CB 0.238 29.829 29.700 -0.181 0.000 0.955 81 E HN 0.884 nan 8.360 nan 0.000 0.455 82 N N 3.013 121.539 118.700 -0.289 0.000 2.502 82 N HA 0.299 5.037 4.740 -0.003 0.000 0.280 82 N C 0.086 175.409 175.510 -0.311 0.000 1.223 82 N CA -0.743 52.190 53.050 -0.196 0.000 0.966 82 N CB 0.917 39.361 38.487 -0.072 0.000 1.203 82 N HN 0.465 nan 8.380 nan 0.000 0.565 83 I N -1.100 119.407 120.570 -0.105 0.000 2.752 83 I HA 0.006 4.175 4.170 -0.003 0.000 0.287 83 I C 0.185 176.274 176.117 -0.047 0.000 1.188 83 I CA -0.017 61.206 61.300 -0.127 0.000 1.427 83 I CB 0.206 38.215 38.000 0.016 0.000 1.365 83 I HN 0.440 nan 8.210 nan 0.000 0.585 84 F N 3.797 123.775 119.950 0.046 0.000 2.473 84 F HA 0.338 4.863 4.527 -0.003 0.000 0.294 84 F C 1.861 177.712 175.800 0.083 0.000 1.103 84 F CA 0.103 58.147 58.000 0.073 0.000 1.442 84 F CB -0.727 38.276 39.000 0.006 0.000 1.097 84 F HN 0.639 nan 8.300 nan 0.000 0.547 85 A N 0.241 123.182 122.820 0.202 0.000 2.448 85 A HA 0.356 4.674 4.320 -0.003 0.000 0.239 85 A C 0.570 178.206 177.584 0.087 0.000 1.080 85 A CA 0.244 52.335 52.037 0.090 0.000 0.779 85 A CB -0.189 18.800 19.000 -0.017 0.000 1.026 85 A HN 0.149 nan 8.150 nan 0.000 0.499 86 T N 1.080 115.656 114.554 0.036 0.000 2.929 86 T HA 0.593 4.941 4.350 -0.003 0.000 0.284 86 T C -0.174 174.470 174.700 -0.093 0.000 1.014 86 T CA 0.038 62.164 62.100 0.044 0.000 1.051 86 T CB 0.406 69.309 68.868 0.058 0.000 1.028 86 T HN 0.411 nan 8.240 nan 0.000 0.485 87 I N 2.549 123.056 120.570 -0.105 0.000 2.569 87 I HA 0.400 4.568 4.170 -0.003 0.000 0.296 87 I C -0.198 175.758 176.117 -0.268 0.000 1.028 87 I CA -0.885 60.202 61.300 -0.356 0.000 1.082 87 I CB 2.106 39.761 38.000 -0.575 0.000 1.264 87 I HN 0.509 nan 8.210 nan 0.000 0.429 88 N N 4.153 122.678 118.700 -0.290 0.000 2.511 88 N HA 0.350 5.088 4.740 -0.003 0.000 0.249 88 N C -1.698 173.724 175.510 -0.146 0.000 0.971 88 N CA -0.379 52.595 53.050 -0.127 0.000 0.938 88 N CB 0.590 39.052 38.487 -0.042 0.000 1.131 88 N HN 0.319 nan 8.380 nan 0.000 0.505 89 Y N 2.430 122.801 120.300 0.119 0.000 2.385 89 Y HA 0.163 4.711 4.550 -0.003 0.000 0.341 89 Y C 0.455 176.397 175.900 0.070 0.000 0.965 89 Y CA -1.025 57.139 58.100 0.107 0.000 1.180 89 Y CB 1.005 39.531 38.460 0.108 0.000 1.139 89 Y HN 0.668 nan 8.280 nan 0.000 0.502 90 S N 1.183 117.002 115.700 0.199 0.000 3.477 90 S HA -0.223 4.245 4.470 -0.003 0.000 0.371 90 S C 1.198 175.855 174.600 0.096 0.000 0.965 90 S CA 0.895 59.166 58.200 0.119 0.000 1.239 90 S CB -1.985 61.275 63.200 0.101 0.000 0.918 90 S HN 1.992 nan 8.310 nan 0.000 0.498 91 G N -1.692 107.158 108.800 0.083 0.000 2.253 91 G HA2 -0.221 3.738 3.960 -0.003 0.000 0.251 91 G HA3 -0.221 3.738 3.960 -0.003 0.000 0.251 91 G C 0.329 175.272 174.900 0.073 0.000 0.998 91 G CA 0.142 45.280 45.100 0.064 0.000 0.621 91 G HN 2.012 nan 8.290 nan 0.000 0.524 92 V N 2.526 122.505 119.914 0.108 0.000 2.370 92 V HA 0.656 4.775 4.120 -0.003 0.000 0.279 92 V C 0.630 176.804 176.094 0.133 0.000 1.029 92 V CA 0.344 62.713 62.300 0.116 0.000 0.870 92 V CB 1.241 33.139 31.823 0.125 0.000 0.984 92 V HN 0.323 nan 8.190 nan 0.000 0.451 93 T N 7.726 122.339 114.554 0.099 0.000 2.817 93 T HA 0.189 4.537 4.350 -0.003 0.000 0.295 93 T C 0.008 174.805 174.700 0.161 0.000 0.958 93 T CA 0.390 62.549 62.100 0.099 0.000 1.157 93 T CB -0.410 68.502 68.868 0.072 0.000 0.898 93 T HN 0.789 nan 8.240 nan 0.000 0.536 94 N N 2.065 120.893 118.700 0.213 0.000 2.314 94 N HA 0.498 5.236 4.740 -0.003 0.000 0.304 94 N C -0.139 175.590 175.510 0.364 0.000 1.073 94 N CA -0.572 52.690 53.050 0.353 0.000 0.822 94 N CB 2.171 41.003 38.487 0.574 0.000 1.280 94 N HN 0.636 nan 8.380 nan 0.000 0.489 95 T N -2.472 112.293 114.554 0.352 0.000 2.926 95 T HA 0.571 4.919 4.350 -0.003 0.000 0.289 95 T C 0.257 174.963 174.700 0.010 0.000 1.054 95 T CA -0.818 61.455 62.100 0.288 0.000 1.015 95 T CB 1.674 70.676 68.868 0.225 0.000 1.167 95 T HN 0.359 nan 8.240 nan 0.000 0.526 96 A N 0.695 123.470 122.820 -0.074 0.000 2.929 96 A HA 0.336 4.655 4.320 -0.003 0.000 0.279 96 A C 1.123 178.153 177.584 -0.923 0.000 1.418 96 A CA -0.535 51.124 52.037 -0.629 0.000 1.035 96 A CB -1.597 17.405 19.000 0.003 0.000 1.047 96 A HN 0.940 nan 8.150 nan 0.000 0.609 97 Y N -0.174 119.465 120.300 -1.103 0.000 2.256 97 Y HA -0.314 4.234 4.550 -0.003 0.000 0.288 97 Y C 2.031 177.626 175.900 -0.508 0.000 1.155 97 Y CA 1.681 59.145 58.100 -1.059 0.000 1.203 97 Y CB -1.021 36.975 38.460 -0.773 0.000 0.980 97 Y HN 0.720 nan 8.280 nan 0.000 0.530 98 H N -1.045 117.320 119.070 -1.176 0.000 2.524 98 H HA 0.214 4.768 4.556 -0.003 0.000 0.282 98 H C 1.919 176.726 175.328 -0.869 0.000 1.016 98 H CA 0.587 56.013 56.048 -1.038 0.000 1.270 98 H CB -0.398 28.863 29.762 -0.834 0.000 1.394 98 H HN 0.554 nan 8.280 nan 0.000 0.568 99 G N 0.830 109.323 108.800 -0.512 0.000 2.179 99 G HA2 -0.332 3.627 3.960 -0.003 0.000 0.260 99 G HA3 -0.332 3.627 3.960 -0.003 0.000 0.260 99 G C 0.172 174.937 174.900 -0.225 0.000 0.977 99 G CA 0.418 45.345 45.100 -0.288 0.000 0.641 99 G HN 0.529 nan 8.290 nan 0.000 0.533 100 Y N -1.061 119.297 120.300 0.096 0.000 2.461 100 Y HA 0.397 4.945 4.550 -0.003 0.000 0.277 100 Y C 0.658 176.745 175.900 0.311 0.000 1.182 100 Y CA -0.636 57.525 58.100 0.102 0.000 1.276 100 Y CB 0.289 38.735 38.460 -0.022 0.000 1.087 100 Y HN 0.370 nan 8.280 nan 0.000 0.519 101 W N 1.208 122.689 121.300 0.301 0.000 2.317 101 W HA 0.699 5.358 4.660 -0.002 0.000 0.290 101 W C -0.108 176.443 176.519 0.054 0.000 0.937 101 W CA -2.047 55.431 57.345 0.221 0.000 1.790 101 W CB -0.178 29.397 29.460 0.191 0.000 1.847 101 W HN -0.153 nan 8.180 nan 0.000 0.411 102 A N 2.326 125.259 122.820 0.188 0.000 2.351 102 A HA 0.608 4.926 4.320 -0.003 0.000 0.257 102 A C 1.313 178.875 177.584 -0.036 0.000 1.087 102 A CA -0.087 51.867 52.037 -0.137 0.000 0.798 102 A CB 0.731 19.320 19.000 -0.685 0.000 1.033 102 A HN 0.632 nan 8.150 nan 0.000 0.488 103 R N -0.281 120.158 120.500 -0.103 0.000 2.568 103 R HA 0.210 4.548 4.340 -0.003 0.000 0.254 103 R C -1.042 175.357 176.300 0.165 0.000 0.925 103 R CA 0.237 56.384 56.100 0.078 0.000 1.025 103 R CB 0.748 31.077 30.300 0.048 0.000 1.428 103 R HN 0.536 nan 8.270 nan 0.000 0.573 104 D N 0.136 120.545 120.400 0.015 0.000 2.375 104 D HA 0.166 4.804 4.640 -0.003 0.000 0.241 104 D C -0.481 175.922 176.300 0.172 0.000 1.361 104 D CA -0.555 53.564 54.000 0.199 0.000 0.995 104 D CB 0.845 41.726 40.800 0.135 0.000 1.312 104 D HN 0.003 nan 8.370 nan 0.000 0.576 105 F N 1.583 121.747 119.950 0.356 0.000 2.604 105 F HA 0.057 4.582 4.527 -0.003 0.000 0.298 105 F C 2.263 178.300 175.800 0.395 0.000 1.131 105 F CA 0.378 58.579 58.000 0.335 0.000 1.457 105 F CB 0.275 39.438 39.000 0.272 0.000 1.095 105 F HN 0.117 nan 8.300 nan 0.000 0.574 106 K N 0.655 121.268 120.400 0.356 0.000 2.444 106 K HA 0.117 4.435 4.320 -0.003 0.000 0.193 106 K C 0.296 176.970 176.600 0.124 0.000 1.024 106 K CA 0.416 56.800 56.287 0.160 0.000 1.077 106 K CB 0.131 32.680 32.500 0.082 0.000 0.833 106 K HN 0.273 nan 8.250 nan 0.000 0.517 107 K N 0.707 121.245 120.400 0.231 0.000 2.400 107 K HA 0.238 4.556 4.320 -0.003 0.000 0.246 107 K C -0.089 176.706 176.600 0.325 0.000 0.995 107 K CA -0.610 55.787 56.287 0.184 0.000 0.840 107 K CB 1.737 34.293 32.500 0.093 0.000 1.293 107 K HN -0.068 nan 8.250 nan 0.000 0.445 108 T N -1.332 113.405 114.554 0.306 0.000 2.899 108 T HA 0.156 4.504 4.350 -0.003 0.000 0.284 108 T C 0.274 175.044 174.700 0.117 0.000 1.004 108 T CA -0.809 61.521 62.100 0.384 0.000 1.043 108 T CB 0.716 69.897 68.868 0.523 0.000 1.013 108 T HN 0.394 nan 8.240 nan 0.000 0.518 109 N N 2.779 121.502 118.700 0.039 0.000 2.420 109 N HA 0.185 4.923 4.740 -0.003 0.000 0.262 109 N C -1.224 174.109 175.510 -0.295 0.000 1.144 109 N CA -2.315 50.595 53.050 -0.233 0.000 0.952 109 N CB 1.143 39.355 38.487 -0.460 0.000 1.081 109 N HN 0.422 nan 8.380 nan 0.000 0.480 110 P HA -0.107 nan 4.420 nan 0.000 0.223 110 P C 0.609 177.732 177.300 -0.295 0.000 1.151 110 P CA 1.032 63.953 63.100 -0.298 0.000 0.787 110 P CB 0.090 31.611 31.700 -0.298 0.000 0.788 111 Y N -1.440 118.673 120.300 -0.312 0.000 2.421 111 Y HA -0.046 4.503 4.550 -0.003 0.000 0.292 111 Y C 2.222 178.000 175.900 -0.204 0.000 1.136 111 Y CA 0.353 58.245 58.100 -0.346 0.000 1.255 111 Y CB -1.225 36.908 38.460 -0.544 0.000 0.991 111 Y HN -0.110 nan 8.280 nan 0.000 0.552 112 F N -1.203 118.576 119.950 -0.284 0.000 2.317 112 F HA 0.446 4.972 4.527 -0.003 0.000 0.290 112 F C 1.523 176.717 175.800 -1.008 0.000 1.075 112 F CA 0.580 58.133 58.000 -0.744 0.000 1.380 112 F CB -0.526 37.824 39.000 -1.084 0.000 1.093 112 F HN -0.058 nan 8.300 nan 0.000 0.524 113 G N -0.975 107.433 108.800 -0.653 0.000 2.333 113 G HA2 0.377 4.336 3.960 -0.003 0.000 0.288 113 G HA3 0.377 4.336 3.960 -0.003 0.000 0.288 113 G C -0.943 173.966 174.900 0.015 0.000 1.286 113 G CA -0.267 44.680 45.100 -0.255 0.000 0.865 113 G HN 0.220 nan 8.290 nan 0.000 0.506 114 T N -2.148 112.574 114.554 0.279 0.000 2.922 114 T HA 0.539 4.887 4.350 -0.003 0.000 0.281 114 T C 1.592 176.583 174.700 0.485 0.000 1.005 114 T CA -0.427 61.850 62.100 0.296 0.000 0.982 114 T CB 1.325 70.302 68.868 0.183 0.000 1.158 114 T HN 0.325 nan 8.240 nan 0.000 0.566 115 M N 0.383 120.180 119.600 0.329 0.000 2.149 115 M HA -0.050 4.428 4.480 -0.003 0.000 0.261 115 M C 2.611 179.096 176.300 0.309 0.000 1.064 115 M CA 1.995 57.477 55.300 0.303 0.000 1.102 115 M CB -1.839 30.848 32.600 0.145 0.000 1.369 115 M HN 0.932 nan 8.290 nan 0.000 0.408 116 A N 0.040 123.004 122.820 0.240 0.000 1.929 116 A HA -0.150 4.168 4.320 -0.003 0.000 0.216 116 A C 1.838 179.550 177.584 0.215 0.000 1.176 116 A CA 1.648 53.796 52.037 0.184 0.000 0.628 116 A CB -0.538 18.543 19.000 0.134 0.000 0.816 116 A HN 0.384 nan 8.150 nan 0.000 0.444 117 D N -0.977 119.614 120.400 0.318 0.000 2.117 117 D HA -0.118 4.521 4.640 -0.003 0.000 0.198 117 D C 1.616 178.132 176.300 0.361 0.000 0.982 117 D CA 1.120 55.344 54.000 0.373 0.000 0.828 117 D CB -0.465 40.648 40.800 0.522 0.000 0.967 117 D HN 0.432 nan 8.370 nan 0.000 0.464 118 F N 1.721 121.858 119.950 0.310 0.000 2.126 118 F HA -0.181 4.344 4.527 -0.003 0.000 0.299 118 F C 2.337 178.082 175.800 -0.092 0.000 1.096 118 F CA 1.510 59.428 58.000 -0.137 0.000 1.255 118 F CB -0.159 38.758 39.000 -0.138 0.000 0.997 118 F HN -0.081 nan 8.300 nan 0.000 0.479 119 Q N -0.407 119.410 119.800 0.030 0.000 2.224 119 Q HA -0.205 4.133 4.340 -0.003 0.000 0.203 119 Q C 2.055 177.977 176.000 -0.129 0.000 0.970 119 Q CA 1.333 57.100 55.803 -0.060 0.000 0.865 119 Q CB -0.474 28.302 28.738 0.065 0.000 0.922 119 Q HN 0.581 nan 8.270 nan 0.000 0.445 120 N N 0.481 119.142 118.700 -0.065 0.000 2.300 120 N HA -0.090 4.648 4.740 -0.003 0.000 0.179 120 N C 1.827 177.263 175.510 -0.124 0.000 1.016 120 N CA 0.240 53.260 53.050 -0.050 0.000 0.876 120 N CB 0.167 38.673 38.487 0.032 0.000 0.979 120 N HN 0.244 nan 8.380 nan 0.000 0.432 121 L N 1.157 122.250 121.223 -0.215 0.000 2.056 121 L HA -0.120 4.219 4.340 -0.003 0.000 0.207 121 L C 2.035 178.661 176.870 -0.407 0.000 1.078 121 L CA 1.020 55.688 54.840 -0.288 0.000 0.749 121 L CB -0.330 41.458 42.059 -0.451 0.000 0.901 121 L HN 0.179 nan 8.230 nan 0.000 0.433 122 I N -0.058 120.163 120.570 -0.583 0.000 2.286 122 I HA -0.242 3.926 4.170 -0.003 0.000 0.248 122 I C 2.485 178.237 176.117 -0.608 0.000 1.115 122 I CA 1.437 62.345 61.300 -0.652 0.000 1.392 122 I CB -1.579 36.068 38.000 -0.588 0.000 1.065 122 I HN 0.280 nan 8.210 nan 0.000 0.418 123 T N 0.323 114.681 114.554 -0.326 0.000 2.770 123 T HA -0.105 4.243 4.350 -0.003 0.000 0.263 123 T C 1.935 176.573 174.700 -0.103 0.000 1.039 123 T CA 1.816 63.817 62.100 -0.164 0.000 1.142 123 T CB -0.253 68.567 68.868 -0.080 0.000 0.868 123 T HN 0.301 nan 8.240 nan 0.000 0.435 124 T N 2.030 116.524 114.554 -0.100 0.000 2.746 124 T HA -0.012 4.336 4.350 -0.003 0.000 0.267 124 T C 2.369 177.049 174.700 -0.033 0.000 1.039 124 T CA 1.156 63.231 62.100 -0.041 0.000 1.142 124 T CB -0.494 68.362 68.868 -0.020 0.000 0.866 124 T HN 0.404 nan 8.240 nan 0.000 0.444 125 A N 0.957 123.718 122.820 -0.099 0.000 1.902 125 A HA -0.153 4.166 4.320 -0.003 0.000 0.217 125 A C 1.931 179.534 177.584 0.031 0.000 1.181 125 A CA 1.608 53.607 52.037 -0.064 0.000 0.623 125 A CB -0.885 18.026 19.000 -0.150 0.000 0.818 125 A HN 0.699 nan 8.150 nan 0.000 0.443 126 H N -1.044 117.995 119.070 -0.051 0.000 2.428 126 H HA 0.073 4.627 4.556 -0.003 0.000 0.296 126 H C 2.408 177.714 175.328 -0.036 0.000 1.062 126 H CA 0.482 56.501 56.048 -0.047 0.000 1.350 126 H CB 0.066 29.800 29.762 -0.046 0.000 1.403 126 H HN 0.568 nan 8.280 nan 0.000 0.533 127 A N 1.003 123.881 122.820 0.096 0.000 2.067 127 A HA -0.106 4.212 4.320 -0.003 0.000 0.219 127 A C 1.875 179.480 177.584 0.035 0.000 1.158 127 A CA 1.120 53.187 52.037 0.050 0.000 0.661 127 A CB 0.026 19.045 19.000 0.032 0.000 0.801 127 A HN 0.178 nan 8.150 nan 0.000 0.452 128 K N -1.189 119.236 120.400 0.041 0.000 2.372 128 K HA 0.195 4.513 4.320 -0.003 0.000 0.200 128 K C 0.777 177.387 176.600 0.017 0.000 1.022 128 K CA 0.599 56.906 56.287 0.032 0.000 1.125 128 K CB 0.152 32.682 32.500 0.051 0.000 0.855 128 K HN 0.661 nan 8.250 nan 0.000 0.524 129 G N 2.282 111.090 108.800 0.015 0.000 2.225 129 G HA2 -0.243 3.716 3.960 -0.003 0.000 0.264 129 G HA3 -0.243 3.716 3.960 -0.003 0.000 0.264 129 G C -0.079 174.803 174.900 -0.029 0.000 1.060 129 G CA -0.083 45.004 45.100 -0.023 0.000 0.833 129 G HN 0.281 nan 8.290 nan 0.000 0.498 130 I N 0.206 120.786 120.570 0.017 0.000 2.389 130 I HA 0.327 4.496 4.170 -0.003 0.000 0.288 130 I C 0.598 176.758 176.117 0.071 0.000 0.999 130 I CA -0.878 60.421 61.300 -0.001 0.000 1.129 130 I CB 1.502 39.488 38.000 -0.023 0.000 1.288 130 I HN -0.010 nan 8.210 nan 0.000 0.444 131 K N 5.909 126.321 120.400 0.020 0.000 2.126 131 K HA 0.530 4.849 4.320 -0.003 0.000 0.257 131 K C -0.716 175.976 176.600 0.153 0.000 1.007 131 K CA -0.614 55.733 56.287 0.100 0.000 0.928 131 K CB 1.410 33.870 32.500 -0.067 0.000 1.013 131 K HN 0.358 nan 8.250 nan 0.000 0.473 132 I N 2.618 123.310 120.570 0.204 0.000 2.389 132 I HA 0.222 4.391 4.170 -0.003 0.000 0.288 132 I C -0.411 175.846 176.117 0.234 0.000 0.999 132 I CA -0.725 60.657 61.300 0.137 0.000 1.129 132 I CB 1.514 39.499 38.000 -0.025 0.000 1.288 132 I HN 0.265 nan 8.210 nan 0.000 0.444 133 V N 7.211 127.278 119.914 0.255 0.000 2.513 133 V HA 0.541 4.659 4.120 -0.003 0.000 0.299 133 V C 0.091 176.302 176.094 0.195 0.000 1.035 133 V CA -0.707 61.731 62.300 0.229 0.000 0.889 133 V CB 2.402 34.375 31.823 0.251 0.000 0.988 133 V HN 0.618 nan 8.190 nan 0.000 0.440 134 I N -0.007 120.624 120.570 0.103 0.000 2.603 134 I HA 0.675 4.843 4.170 -0.003 0.000 0.300 134 I C -0.491 175.672 176.117 0.076 0.000 1.017 134 I CA -0.593 60.775 61.300 0.113 0.000 1.098 134 I CB 1.922 39.944 38.000 0.038 0.000 1.279 134 I HN 0.400 nan 8.210 nan 0.000 0.437 135 D N 4.010 124.527 120.400 0.194 0.000 2.302 135 D HA 0.394 5.033 4.640 -0.003 0.000 0.248 135 D C -1.643 174.820 176.300 0.272 0.000 1.094 135 D CA 0.372 54.514 54.000 0.237 0.000 0.897 135 D CB 1.271 42.276 40.800 0.341 0.000 1.200 135 D HN 0.492 nan 8.370 nan 0.000 0.429 136 F N 1.250 121.248 119.950 0.080 0.000 2.588 136 F HA 0.486 5.011 4.527 -0.003 0.000 0.318 136 F C -0.924 174.964 175.800 0.147 0.000 1.155 136 F CA -0.769 57.308 58.000 0.130 0.000 0.967 136 F CB 1.843 40.929 39.000 0.144 0.000 1.236 136 F HN 0.306 nan 8.300 nan 0.000 0.455 137 A N 7.147 129.948 122.820 -0.031 0.000 2.938 137 A HA 0.475 4.793 4.320 -0.003 0.000 0.344 137 A C -2.329 175.069 177.584 -0.310 0.000 1.142 137 A CA -1.151 50.839 52.037 -0.079 0.000 0.841 137 A CB -0.171 18.832 19.000 0.005 0.000 1.083 137 A HN 0.447 nan 8.150 nan 0.000 0.479 138 P HA -0.068 nan 4.420 nan 0.000 0.247 138 P C 0.632 177.472 177.300 -0.767 0.000 1.225 138 P CA 0.606 62.983 63.100 -1.204 0.000 0.768 138 P CB 0.154 30.953 31.700 -1.501 0.000 1.020 139 N N 0.732 119.236 118.700 -0.326 0.000 2.300 139 N HA -0.098 4.641 4.740 -0.003 0.000 0.179 139 N C 0.765 176.434 175.510 0.266 0.000 1.016 139 N CA 0.578 53.627 53.050 0.000 0.000 0.876 139 N CB -0.013 38.521 38.487 0.078 0.000 0.979 139 N HN 0.315 nan 8.380 nan 0.000 0.432 140 H N -4.828 114.462 119.070 0.366 0.000 2.948 140 H HA 0.258 4.813 4.556 -0.003 0.000 0.315 140 H C -0.136 175.495 175.328 0.506 0.000 1.360 140 H CA -0.129 56.135 56.048 0.359 0.000 1.125 140 H CB 0.663 30.504 29.762 0.132 0.000 1.844 140 H HN 0.028 nan 8.280 nan 0.000 0.529 141 T N -0.532 114.282 114.554 0.433 0.000 3.538 141 T HA 0.348 4.697 4.350 -0.003 0.000 0.204 141 T C 0.660 175.586 174.700 0.377 0.000 0.870 141 T CA 0.791 63.132 62.100 0.402 0.000 1.727 141 T CB -0.552 68.421 68.868 0.175 0.000 1.685 141 T HN 0.832 nan 8.240 nan 0.000 0.454 142 S N 0.594 116.348 115.700 0.090 0.000 2.671 142 S HA 0.654 5.122 4.470 -0.003 0.000 0.277 142 S C -3.350 171.064 174.600 -0.309 0.000 1.165 142 S CA -1.628 56.520 58.200 -0.086 0.000 0.822 142 S CB 1.027 64.188 63.200 -0.065 0.000 1.150 142 S HN 0.252 nan 8.310 nan 0.000 0.479 143 P HA 0.450 nan 4.420 nan 0.000 0.265 143 P C -1.032 176.199 177.300 -0.115 0.000 1.193 143 P CA 0.353 63.288 63.100 -0.275 0.000 0.765 143 P CB 0.368 31.898 31.700 -0.283 0.000 0.823 144 A N 3.722 126.495 122.820 -0.077 0.000 2.594 144 A HA 0.772 5.091 4.320 -0.003 0.000 0.295 144 A C -1.205 176.355 177.584 -0.039 0.000 1.071 144 A CA -0.608 51.402 52.037 -0.045 0.000 0.685 144 A CB 1.325 20.117 19.000 -0.345 0.000 1.285 144 A HN 0.388 nan 8.150 nan 0.000 0.405 145 M N 1.706 121.354 119.600 0.079 0.000 2.190 145 M HA 0.231 4.709 4.480 -0.003 0.000 0.312 145 M C 0.795 177.164 176.300 0.115 0.000 0.990 145 M CA -0.356 54.944 55.300 -0.000 0.000 0.927 145 M CB 1.906 34.431 32.600 -0.125 0.000 1.571 145 M HN 1.113 nan 8.290 nan 0.000 0.427 146 E N 1.918 122.225 120.200 0.178 0.000 2.038 146 E HA -0.173 4.175 4.350 -0.003 0.000 0.195 146 E C 1.380 177.996 176.600 0.027 0.000 1.000 146 E CA 2.495 58.967 56.400 0.121 0.000 0.803 146 E CB 0.286 30.020 29.700 0.056 0.000 0.750 146 E HN 0.787 nan 8.360 nan 0.000 0.448 147 T N -2.183 112.375 114.554 0.006 0.000 3.215 147 T HA 0.005 4.353 4.350 -0.003 0.000 0.254 147 T C 0.034 174.730 174.700 -0.005 0.000 1.149 147 T CA 0.578 62.670 62.100 -0.013 0.000 1.042 147 T CB 0.066 68.919 68.868 -0.026 0.000 0.966 147 T HN 0.075 nan 8.240 nan 0.000 0.534 148 D N 1.075 121.484 120.400 0.014 0.000 2.411 148 D HA 0.175 4.813 4.640 -0.003 0.000 0.239 148 D C 1.150 177.492 176.300 0.071 0.000 1.307 148 D CA -0.160 53.859 54.000 0.032 0.000 0.930 148 D CB 0.886 41.699 40.800 0.022 0.000 1.395 148 D HN 0.111 nan 8.370 nan 0.000 0.536 149 T N -0.966 113.617 114.554 0.049 0.000 2.946 149 T HA -0.172 4.176 4.350 -0.003 0.000 0.271 149 T C 1.705 176.435 174.700 0.049 0.000 1.104 149 T CA 1.387 63.516 62.100 0.047 0.000 1.114 149 T CB -0.175 68.709 68.868 0.026 0.000 0.867 149 T HN 0.253 nan 8.240 nan 0.000 0.513 150 S N 0.319 116.054 115.700 0.059 0.000 2.470 150 S HA 0.167 4.636 4.470 -0.003 0.000 0.225 150 S C 0.417 175.045 174.600 0.046 0.000 1.006 150 S CA -0.755 57.470 58.200 0.042 0.000 0.934 150 S CB -0.817 62.406 63.200 0.038 0.000 0.778 150 S HN 0.514 nan 8.310 nan 0.000 0.517 151 F N 3.946 123.861 119.950 -0.060 0.000 2.504 151 F HA 0.498 5.023 4.527 -0.003 0.000 0.369 151 F C 0.967 176.700 175.800 -0.112 0.000 1.082 151 F CA -0.161 57.784 58.000 -0.093 0.000 1.216 151 F CB -0.078 38.863 39.000 -0.099 0.000 1.108 151 F HN 0.551 nan 8.300 nan 0.000 0.554 152 A N 4.802 127.103 122.820 -0.865 0.000 5.584 152 A HA -0.338 3.981 4.320 -0.003 0.000 0.303 152 A C 0.902 178.321 177.584 -0.274 0.000 1.923 152 A CA 1.414 53.064 52.037 -0.645 0.000 0.717 152 A CB -1.408 17.113 19.000 -0.798 0.000 1.281 152 A HN 0.815 nan 8.150 nan 0.000 0.379 153 E N 1.156 121.242 120.200 -0.191 0.000 2.585 153 E HA 0.250 4.598 4.350 -0.003 0.000 0.206 153 E C 0.376 176.943 176.600 -0.055 0.000 1.007 153 E CA 0.336 56.692 56.400 -0.073 0.000 1.028 153 E CB -0.121 29.565 29.700 -0.023 0.000 1.087 153 E HN 0.660 nan 8.360 nan 0.000 0.455 154 N N 0.848 119.510 118.700 -0.064 0.000 2.708 154 N HA -0.245 4.493 4.740 -0.003 0.000 0.249 154 N C 0.717 176.152 175.510 -0.125 0.000 1.097 154 N CA 0.391 53.417 53.050 -0.038 0.000 0.710 154 N CB -0.745 37.741 38.487 -0.001 0.000 1.032 154 N HN 0.584 nan 8.380 nan 0.000 0.551 155 G N 0.107 108.802 108.800 -0.175 0.000 2.258 155 G HA2 -0.366 3.592 3.960 -0.003 0.000 0.274 155 G HA3 -0.366 3.592 3.960 -0.003 0.000 0.274 155 G C 0.263 175.051 174.900 -0.186 0.000 1.021 155 G CA 0.870 45.819 45.100 -0.253 0.000 0.798 155 G HN 0.646 nan 8.290 nan 0.000 0.507 156 R N -1.217 119.239 120.500 -0.073 0.000 2.734 156 R HA 0.417 4.755 4.340 -0.003 0.000 0.266 156 R C 0.124 176.429 176.300 0.008 0.000 1.044 156 R CA -0.156 55.913 56.100 -0.053 0.000 1.128 156 R CB 0.500 30.755 30.300 -0.076 0.000 1.010 156 R HN 0.297 nan 8.270 nan 0.000 0.461 157 L N 2.840 124.009 121.223 -0.091 0.000 2.362 157 L HA 0.408 4.746 4.340 -0.003 0.000 0.275 157 L C -1.672 175.016 176.870 -0.303 0.000 0.998 157 L CA -0.504 54.321 54.840 -0.025 0.000 0.820 157 L CB 1.335 43.413 42.059 0.032 0.000 1.270 157 L HN 0.405 nan 8.230 nan 0.000 0.415 158 Y N 2.154 122.464 120.300 0.017 0.000 2.446 158 Y HA 0.443 4.991 4.550 -0.003 0.000 0.345 158 Y C -0.471 175.485 175.900 0.094 0.000 0.984 158 Y CA -0.800 57.313 58.100 0.020 0.000 1.058 158 Y CB 1.737 40.217 38.460 0.032 0.000 1.220 158 Y HN 0.535 nan 8.280 nan 0.000 0.455 159 D N 3.564 124.096 120.400 0.221 0.000 2.485 159 D HA 0.091 4.730 4.640 -0.003 0.000 0.221 159 D C 0.021 176.465 176.300 0.240 0.000 1.112 159 D CA 0.076 54.272 54.000 0.327 0.000 0.911 159 D CB -0.128 40.797 40.800 0.209 0.000 1.019 159 D HN 0.643 nan 8.370 nan 0.000 0.516 160 N N 3.292 122.132 118.700 0.234 0.000 2.725 160 N HA -0.258 4.480 4.740 -0.003 0.000 0.251 160 N C 0.887 176.468 175.510 0.118 0.000 1.031 160 N CA 1.442 54.576 53.050 0.140 0.000 0.720 160 N CB -0.989 37.552 38.487 0.091 0.000 0.930 160 N HN 0.837 nan 8.380 nan 0.000 0.543 161 G N -1.954 106.932 108.800 0.144 0.000 2.345 161 G HA2 -0.274 3.684 3.960 -0.003 0.000 0.218 161 G HA3 -0.274 3.684 3.960 -0.003 0.000 0.218 161 G C 0.182 175.229 174.900 0.244 0.000 1.058 161 G CA 0.398 45.564 45.100 0.110 0.000 0.632 161 G HN 0.548 nan 8.290 nan 0.000 0.508 162 T N 2.535 117.219 114.554 0.217 0.000 2.814 162 T HA 0.502 4.851 4.350 -0.003 0.000 0.297 162 T C 0.279 175.076 174.700 0.161 0.000 0.956 162 T CA 0.011 62.219 62.100 0.179 0.000 1.123 162 T CB 1.833 70.758 68.868 0.096 0.000 0.902 162 T HN 0.712 nan 8.240 nan 0.000 0.528 163 L N 5.411 126.676 121.223 0.069 0.000 2.410 163 L HA 0.187 4.525 4.340 -0.003 0.000 0.273 163 L C 0.901 177.639 176.870 -0.220 0.000 1.144 163 L CA 0.434 55.094 54.840 -0.300 0.000 0.863 163 L CB 0.536 42.427 42.059 -0.279 0.000 1.140 163 L HN 0.533 nan 8.230 nan 0.000 0.463 164 V N 4.010 123.732 119.914 -0.320 0.000 2.672 164 V HA 0.530 4.648 4.120 -0.003 0.000 0.242 164 V C 0.982 176.937 176.094 -0.231 0.000 1.059 164 V CA 0.737 62.848 62.300 -0.315 0.000 1.081 164 V CB -0.280 31.237 31.823 -0.509 0.000 0.752 164 V HN 1.000 nan 8.190 nan 0.000 0.472 165 G N -1.481 107.209 108.800 -0.182 0.000 2.377 165 G HA2 0.522 4.480 3.960 -0.003 0.000 0.297 165 G HA3 0.522 4.480 3.960 -0.003 0.000 0.297 165 G C -0.789 174.189 174.900 0.131 0.000 1.547 165 G CA -0.047 45.093 45.100 0.066 0.000 0.833 165 G HN 0.452 nan 8.290 nan 0.000 0.583 166 G N -1.382 107.502 108.800 0.139 0.000 2.667 166 G HA2 0.495 4.454 3.960 -0.003 0.000 0.310 166 G HA3 0.495 4.454 3.960 -0.003 0.000 0.310 166 G C 0.262 175.183 174.900 0.035 0.000 1.259 166 G CA -0.401 44.724 45.100 0.042 0.000 1.019 166 G HN 0.625 nan 8.290 nan 0.000 0.496 167 Y N 0.067 120.158 120.300 -0.350 0.000 2.263 167 Y HA 0.123 4.671 4.550 -0.003 0.000 0.292 167 Y C 1.811 177.696 175.900 -0.026 0.000 1.130 167 Y CA 1.047 58.916 58.100 -0.385 0.000 1.179 167 Y CB -0.031 38.139 38.460 -0.483 0.000 0.998 167 Y HN 0.308 nan 8.280 nan 0.000 0.532 168 T N 2.409 116.971 114.554 0.014 0.000 2.889 168 T HA 0.103 4.452 4.350 -0.003 0.000 0.291 168 T C -0.305 174.365 174.700 -0.049 0.000 0.995 168 T CA -0.347 61.726 62.100 -0.045 0.000 1.092 168 T CB 0.324 69.186 68.868 -0.009 0.000 0.954 168 T HN 0.286 nan 8.240 nan 0.000 0.506 169 N N 2.123 120.763 118.700 -0.100 0.000 2.727 169 N HA -0.150 4.588 4.740 -0.003 0.000 0.251 169 N C -0.893 174.578 175.510 -0.066 0.000 1.040 169 N CA 0.478 53.474 53.050 -0.090 0.000 0.712 169 N CB -0.841 37.615 38.487 -0.051 0.000 0.912 169 N HN 0.710 nan 8.380 nan 0.000 0.545 170 D N -0.032 120.302 120.400 -0.110 0.000 2.564 170 D HA 0.206 4.844 4.640 -0.003 0.000 0.226 170 D C 1.554 177.759 176.300 -0.158 0.000 1.149 170 D CA 0.084 54.064 54.000 -0.032 0.000 0.994 170 D CB 0.245 41.133 40.800 0.146 0.000 1.029 170 D HN 0.348 nan 8.370 nan 0.000 0.517 171 T N 0.247 114.716 114.554 -0.142 0.000 2.788 171 T HA -0.153 4.195 4.350 -0.003 0.000 0.268 171 T C 1.336 175.901 174.700 -0.225 0.000 1.044 171 T CA 0.721 62.721 62.100 -0.166 0.000 1.139 171 T CB -0.078 68.721 68.868 -0.115 0.000 0.867 171 T HN 0.187 nan 8.240 nan 0.000 0.454 172 N N 1.691 120.185 118.700 -0.344 0.000 2.515 172 N HA 0.126 4.864 4.740 -0.003 0.000 0.185 172 N C 1.424 176.594 175.510 -0.567 0.000 1.109 172 N CA 0.840 53.565 53.050 -0.541 0.000 0.903 172 N CB -0.250 37.677 38.487 -0.934 0.000 0.969 172 N HN 0.753 nan 8.380 nan 0.000 0.450 173 G N 1.099 109.663 108.800 -0.393 0.000 2.298 173 G HA2 -0.295 3.663 3.960 -0.003 0.000 0.287 173 G HA3 -0.295 3.663 3.960 -0.003 0.000 0.287 173 G C 0.192 174.964 174.900 -0.213 0.000 1.075 173 G CA 0.014 44.996 45.100 -0.197 0.000 0.960 173 G HN 0.326 nan 8.290 nan 0.000 0.502 174 Y N -1.324 118.905 120.300 -0.118 0.000 2.509 174 Y HA 0.381 4.929 4.550 -0.003 0.000 0.293 174 Y C 1.423 176.905 175.900 -0.697 0.000 1.133 174 Y CA 0.415 58.267 58.100 -0.414 0.000 1.283 174 Y CB -0.033 38.079 38.460 -0.581 0.000 1.001 174 Y HN 0.392 nan 8.280 nan 0.000 0.555 175 F N -2.429 117.546 119.950 0.042 0.000 2.611 175 F HA 0.423 4.948 4.527 -0.003 0.000 0.324 175 F C -0.124 175.576 175.800 -0.167 0.000 1.061 175 F CA -1.695 56.222 58.000 -0.139 0.000 0.954 175 F CB 0.967 39.925 39.000 -0.070 0.000 1.301 175 F HN -0.267 nan 8.300 nan 0.000 0.482 176 H N 0.364 119.493 119.070 0.098 0.000 2.502 176 H HA 0.309 4.863 4.556 -0.003 0.000 0.327 176 H C -0.514 174.705 175.328 -0.180 0.000 1.099 176 H CA -0.363 55.704 56.048 0.032 0.000 1.323 176 H CB 0.729 30.531 29.762 0.067 0.000 1.450 176 H HN 0.487 nan 8.280 nan 0.000 0.502 177 H N 2.895 122.058 119.070 0.156 0.000 2.534 177 H HA 0.114 4.669 4.556 -0.003 0.000 0.250 177 H C -0.182 175.148 175.328 0.004 0.000 1.256 177 H CA -0.089 55.968 56.048 0.015 0.000 1.000 177 H CB 0.038 29.708 29.762 -0.153 0.000 1.801 177 H HN 0.728 nan 8.280 nan 0.000 0.569 178 N N 0.443 119.188 118.700 0.075 0.000 2.251 178 N HA 0.220 4.958 4.740 -0.003 0.000 0.217 178 N C 1.017 176.514 175.510 -0.022 0.000 1.124 178 N CA 0.281 53.328 53.050 -0.004 0.000 0.843 178 N CB 1.430 39.879 38.487 -0.063 0.000 1.024 178 N HN 0.530 nan 8.380 nan 0.000 0.501 179 G N 0.040 108.845 108.800 0.010 0.000 2.584 179 G HA2 -0.113 3.845 3.960 -0.003 0.000 0.229 179 G HA3 -0.113 3.845 3.960 -0.003 0.000 0.229 179 G C -0.196 174.669 174.900 -0.058 0.000 1.320 179 G CA -0.590 44.500 45.100 -0.018 0.000 0.891 179 G HN 0.364 nan 8.290 nan 0.000 0.573 180 G N -0.838 107.905 108.800 -0.095 0.000 2.415 180 G HA2 0.689 4.647 3.960 -0.003 0.000 0.327 180 G HA3 0.689 4.647 3.960 -0.003 0.000 0.327 180 G C 0.176 174.939 174.900 -0.229 0.000 1.182 180 G CA 1.206 46.213 45.100 -0.156 0.000 0.924 180 G HN 1.734 nan 8.290 nan 0.000 0.470 181 S N 0.046 115.518 115.700 -0.380 0.000 2.560 181 S HA 0.096 4.564 4.470 -0.003 0.000 0.284 181 S C 0.903 175.141 174.600 -0.603 0.000 1.327 181 S CA 0.310 58.169 58.200 -0.568 0.000 1.055 181 S CB 0.643 63.301 63.200 -0.904 0.000 0.868 181 S HN 0.650 nan 8.310 nan 0.000 0.506 182 D N 2.662 122.822 120.400 -0.401 0.000 2.395 182 D HA 0.119 4.758 4.640 -0.003 0.000 0.213 182 D C 0.279 176.584 176.300 0.008 0.000 1.110 182 D CA -0.335 53.582 54.000 -0.138 0.000 0.835 182 D CB -0.753 40.013 40.800 -0.056 0.000 0.965 182 D HN 0.541 nan 8.370 nan 0.000 0.505 183 F N 0.484 120.388 119.950 -0.077 0.000 3.084 183 F HA -0.305 4.220 4.527 -0.003 0.000 0.286 183 F C 1.747 177.515 175.800 -0.053 0.000 0.855 183 F CA 0.740 58.697 58.000 -0.071 0.000 1.091 183 F CB -2.578 36.377 39.000 -0.075 0.000 1.177 183 F HN 0.200 nan 8.300 nan 0.000 0.542 184 S N -1.733 113.988 115.700 0.034 0.000 2.461 184 S HA 0.217 4.686 4.470 -0.003 0.000 0.228 184 S C 0.788 175.399 174.600 0.018 0.000 1.005 184 S CA 0.594 58.811 58.200 0.029 0.000 0.942 184 S CB 0.213 63.412 63.200 -0.001 0.000 0.776 184 S HN 0.655 nan 8.310 nan 0.000 0.514 185 S N -0.309 115.385 115.700 -0.010 0.000 2.607 185 S HA 0.607 5.075 4.470 -0.003 0.000 0.273 185 S C 0.134 174.714 174.600 -0.033 0.000 1.148 185 S CA -0.717 57.482 58.200 -0.002 0.000 0.833 185 S CB 1.253 64.444 63.200 -0.014 0.000 1.130 185 S HN 0.117 nan 8.310 nan 0.000 0.470 186 L N 1.326 122.557 121.223 0.014 0.000 2.046 186 L HA 0.048 4.386 4.340 -0.003 0.000 0.208 186 L C 2.464 179.230 176.870 -0.173 0.000 1.077 186 L CA 2.339 57.171 54.840 -0.013 0.000 0.747 186 L CB -0.776 41.387 42.059 0.173 0.000 0.896 186 L HN 1.021 nan 8.230 nan 0.000 0.432 187 E N -0.650 119.385 120.200 -0.275 0.000 2.118 187 E HA -0.312 4.036 4.350 -0.003 0.000 0.195 187 E C 2.005 178.405 176.600 -0.333 0.000 0.992 187 E CA 1.500 57.510 56.400 -0.650 0.000 0.804 187 E CB -0.162 29.131 29.700 -0.680 0.000 0.741 187 E HN 0.713 nan 8.360 nan 0.000 0.458 188 N N -0.683 117.882 118.700 -0.225 0.000 2.084 188 N HA -0.109 4.630 4.740 -0.003 0.000 0.190 188 N C 1.828 177.186 175.510 -0.254 0.000 1.030 188 N CA 1.582 54.513 53.050 -0.198 0.000 0.849 188 N CB -0.293 38.092 38.487 -0.170 0.000 1.012 188 N HN 0.160 nan 8.380 nan 0.000 0.423 189 G N -0.493 108.150 108.800 -0.263 0.000 2.598 189 G HA2 -0.033 3.926 3.960 -0.003 0.000 0.215 189 G HA3 -0.033 3.926 3.960 -0.003 0.000 0.215 189 G C 1.316 176.128 174.900 -0.146 0.000 1.131 189 G CA 0.293 45.260 45.100 -0.222 0.000 0.785 189 G HN 0.335 nan 8.290 nan 0.000 0.539 190 I N -1.419 118.957 120.570 -0.324 0.000 2.628 190 I HA 0.087 4.256 4.170 -0.003 0.000 0.255 190 I C 1.557 177.329 176.117 -0.575 0.000 1.119 190 I CA 0.484 61.499 61.300 -0.476 0.000 1.448 190 I CB 0.179 37.735 38.000 -0.739 0.000 1.133 190 I HN 0.068 nan 8.210 nan 0.000 0.438 191 Y N 1.230 121.394 120.300 -0.228 0.000 2.457 191 Y HA 0.253 4.801 4.550 -0.003 0.000 0.263 191 Y C 0.662 176.346 175.900 -0.361 0.000 1.164 191 Y CA -0.118 57.741 58.100 -0.402 0.000 1.274 191 Y CB -0.065 38.139 38.460 -0.426 0.000 1.097 191 Y HN -0.064 nan 8.280 nan 0.000 0.523 192 K N 0.357 120.672 120.400 -0.141 0.000 2.295 192 K HA 0.287 4.606 4.320 -0.003 0.000 0.239 192 K C -0.622 175.889 176.600 -0.149 0.000 0.991 192 K CA -1.218 54.989 56.287 -0.132 0.000 0.845 192 K CB 0.916 33.307 32.500 -0.181 0.000 1.197 192 K HN -0.130 nan 8.250 nan 0.000 0.441 193 N N 1.768 120.384 118.700 -0.140 0.000 2.458 193 N HA -0.040 4.698 4.740 -0.003 0.000 0.258 193 N C -0.405 174.914 175.510 -0.318 0.000 1.219 193 N CA 0.083 53.020 53.050 -0.188 0.000 0.902 193 N CB 0.370 38.747 38.487 -0.182 0.000 1.076 193 N HN 0.429 nan 8.380 nan 0.000 0.455 194 L N 5.093 126.092 121.223 -0.373 0.000 2.363 194 L HA 0.039 4.378 4.340 -0.003 0.000 0.286 194 L C -0.265 176.331 176.870 -0.457 0.000 1.106 194 L CA 0.097 54.574 54.840 -0.606 0.000 0.859 194 L CB -0.800 40.873 42.059 -0.642 0.000 1.223 194 L HN 0.560 nan 8.230 nan 0.000 0.446 195 Y N 2.048 122.255 120.300 -0.156 0.000 2.887 195 Y HA -0.389 4.160 4.550 -0.003 0.000 0.467 195 Y C 1.267 177.066 175.900 -0.169 0.000 1.192 195 Y CA 1.005 59.029 58.100 -0.128 0.000 2.535 195 Y CB -1.190 37.192 38.460 -0.130 0.000 1.225 195 Y HN 0.777 nan 8.280 nan 0.000 0.630 196 D N 0.829 121.245 120.400 0.027 0.000 2.440 196 D HA 0.257 4.896 4.640 -0.003 0.000 0.216 196 D C -0.129 176.044 176.300 -0.212 0.000 1.150 196 D CA 0.049 53.987 54.000 -0.103 0.000 0.832 196 D CB -0.552 40.212 40.800 -0.059 0.000 0.992 196 D HN 0.403 nan 8.370 nan 0.000 0.502 197 L N 1.358 122.446 121.223 -0.225 0.000 2.462 197 L HA 0.345 4.684 4.340 -0.003 0.000 0.272 197 L C 0.788 177.439 176.870 -0.365 0.000 1.166 197 L CA -0.759 53.895 54.840 -0.310 0.000 0.880 197 L CB 0.582 42.358 42.059 -0.471 0.000 1.142 197 L HN 0.021 nan 8.230 nan 0.000 0.473 198 A N 3.039 125.562 122.820 -0.495 0.000 2.545 198 A HA 0.009 4.327 4.320 -0.003 0.000 0.253 198 A C -0.069 177.346 177.584 -0.281 0.000 1.074 198 A CA -0.155 51.417 52.037 -0.774 0.000 0.760 198 A CB -0.244 18.110 19.000 -1.078 0.000 1.005 198 A HN 0.730 nan 8.150 nan 0.000 0.506 199 D N 1.884 122.202 120.400 -0.136 0.000 2.295 199 D HA 0.453 5.091 4.640 -0.003 0.000 0.248 199 D C -0.399 175.941 176.300 0.067 0.000 1.154 199 D CA 0.215 54.253 54.000 0.064 0.000 0.857 199 D CB 0.153 41.031 40.800 0.130 0.000 1.117 199 D HN 0.332 nan 8.370 nan 0.000 0.468 200 F N 2.405 122.310 119.950 -0.075 0.000 2.459 200 F HA 0.149 4.675 4.527 -0.003 0.000 0.346 200 F C 1.228 176.542 175.800 -0.811 0.000 1.128 200 F CA -0.241 57.461 58.000 -0.498 0.000 1.268 200 F CB 0.479 39.052 39.000 -0.712 0.000 1.161 200 F HN 0.265 nan 8.300 nan 0.000 0.583 201 N N 1.728 120.086 118.700 -0.569 0.000 2.817 201 N HA 0.116 4.855 4.740 -0.003 0.000 0.234 201 N C 0.210 175.494 175.510 -0.377 0.000 1.066 201 N CA -0.240 52.454 53.050 -0.594 0.000 0.926 201 N CB -0.219 38.032 38.487 -0.393 0.000 1.176 201 N HN 0.494 nan 8.380 nan 0.000 0.506 202 H N 0.551 119.446 119.070 -0.292 0.000 2.560 202 H HA -0.001 4.553 4.556 -0.003 0.000 0.283 202 H C 1.491 176.704 175.328 -0.192 0.000 1.028 202 H CA 0.723 56.472 56.048 -0.499 0.000 1.221 202 H CB 0.251 29.301 29.762 -1.186 0.000 1.363 202 H HN 0.577 nan 8.280 nan 0.000 0.594 203 N N 0.947 119.685 118.700 0.063 0.000 2.494 203 N HA -0.113 4.625 4.740 -0.003 0.000 0.182 203 N C 0.020 175.579 175.510 0.082 0.000 1.076 203 N CA -0.033 53.095 53.050 0.130 0.000 0.908 203 N CB 0.082 38.660 38.487 0.152 0.000 0.967 203 N HN 0.294 nan 8.380 nan 0.000 0.449 204 N N 0.229 118.944 118.700 0.025 0.000 2.411 204 N HA 0.169 4.907 4.740 -0.003 0.000 0.259 204 N C 0.839 176.393 175.510 0.073 0.000 1.103 204 N CA -0.084 52.986 53.050 0.033 0.000 0.954 204 N CB 1.235 39.736 38.487 0.024 0.000 1.085 204 N HN 0.079 nan 8.380 nan 0.000 0.485 205 A N 2.733 125.609 122.820 0.094 0.000 2.084 205 A HA -0.161 4.158 4.320 -0.003 0.000 0.221 205 A C 1.925 179.574 177.584 0.108 0.000 1.161 205 A CA 1.801 53.908 52.037 0.116 0.000 0.653 205 A CB -0.673 18.390 19.000 0.104 0.000 0.802 205 A HN 0.744 nan 8.150 nan 0.000 0.457 206 T N 0.008 114.622 114.554 0.101 0.000 2.851 206 T HA -0.019 4.329 4.350 -0.003 0.000 0.262 206 T C 1.735 176.424 174.700 -0.019 0.000 1.043 206 T CA 1.123 63.262 62.100 0.065 0.000 1.140 206 T CB -0.182 68.759 68.868 0.122 0.000 0.872 206 T HN 0.312 nan 8.240 nan 0.000 0.446 207 I N 1.912 122.456 120.570 -0.044 0.000 2.315 207 I HA -0.087 4.082 4.170 -0.003 0.000 0.248 207 I C 2.321 178.425 176.117 -0.022 0.000 1.117 207 I CA 1.299 62.484 61.300 -0.192 0.000 1.404 207 I CB -1.161 36.698 38.000 -0.235 0.000 1.071 207 I HN 0.305 nan 8.210 nan 0.000 0.419 208 D N 0.926 121.403 120.400 0.128 0.000 2.144 208 D HA -0.257 4.381 4.640 -0.003 0.000 0.200 208 D C 2.164 178.673 176.300 0.349 0.000 0.978 208 D CA 1.290 55.523 54.000 0.389 0.000 0.833 208 D CB 0.138 41.196 40.800 0.431 0.000 0.961 208 D HN 0.129 nan 8.370 nan 0.000 0.470 209 K N -1.075 119.443 120.400 0.196 0.000 2.167 209 K HA -0.133 4.186 4.320 -0.003 0.000 0.203 209 K C 1.959 178.623 176.600 0.108 0.000 1.052 209 K CA 0.762 57.140 56.287 0.152 0.000 0.956 209 K CB -0.675 31.890 32.500 0.108 0.000 0.735 209 K HN 0.271 nan 8.250 nan 0.000 0.451 210 Y N 0.111 120.329 120.300 -0.136 0.000 2.145 210 Y HA -0.134 4.414 4.550 -0.003 0.000 0.286 210 Y C 1.339 177.060 175.900 -0.298 0.000 1.145 210 Y CA 1.885 59.798 58.100 -0.311 0.000 1.148 210 Y CB -0.274 37.822 38.460 -0.607 0.000 0.981 210 Y HN 0.043 nan 8.280 nan 0.000 0.507 211 F N 0.576 120.589 119.950 0.105 0.000 2.293 211 F HA -0.106 4.419 4.527 -0.003 0.000 0.300 211 F C 2.171 178.197 175.800 0.377 0.000 1.086 211 F CA 1.368 59.447 58.000 0.132 0.000 1.375 211 F CB -0.470 38.562 39.000 0.054 0.000 1.045 211 F HN 0.020 nan 8.300 nan 0.000 0.516 212 K N -0.240 120.429 120.400 0.448 0.000 2.076 212 K HA -0.105 4.213 4.320 -0.003 0.000 0.204 212 K C 1.623 178.296 176.600 0.123 0.000 1.051 212 K CA 1.280 57.772 56.287 0.341 0.000 0.949 212 K CB -0.174 32.468 32.500 0.236 0.000 0.726 212 K HN 0.067 nan 8.250 nan 0.000 0.443 213 D N 0.824 121.250 120.400 0.043 0.000 2.144 213 D HA -0.090 4.548 4.640 -0.003 0.000 0.200 213 D C 1.803 178.067 176.300 -0.060 0.000 0.978 213 D CA 1.074 55.043 54.000 -0.051 0.000 0.833 213 D CB -0.085 40.668 40.800 -0.079 0.000 0.961 213 D HN 0.168 nan 8.370 nan 0.000 0.470 214 A N 0.747 123.535 122.820 -0.055 0.000 1.877 214 A HA -0.148 4.171 4.320 -0.003 0.000 0.216 214 A C 2.196 179.965 177.584 0.308 0.000 1.186 214 A CA 0.908 52.985 52.037 0.066 0.000 0.620 214 A CB -0.598 18.391 19.000 -0.018 0.000 0.822 214 A HN 0.201 nan 8.150 nan 0.000 0.443 215 I N -0.578 120.167 120.570 0.293 0.000 2.394 215 I HA -0.107 4.061 4.170 -0.003 0.000 0.251 215 I C 2.074 178.200 176.117 0.016 0.000 1.136 215 I CA 1.610 62.958 61.300 0.079 0.000 1.425 215 I CB -0.351 37.621 38.000 -0.047 0.000 1.079 215 I HN 0.252 nan 8.210 nan 0.000 0.425 216 K N 0.257 120.625 120.400 -0.052 0.000 2.103 216 K HA -0.196 4.122 4.320 -0.003 0.000 0.207 216 K C 2.152 178.706 176.600 -0.076 0.000 1.048 216 K CA 1.661 57.848 56.287 -0.167 0.000 0.930 216 K CB -0.483 31.828 32.500 -0.315 0.000 0.716 216 K HN 0.450 nan 8.250 nan 0.000 0.444 217 L N -0.779 120.380 121.223 -0.107 0.000 1.994 217 L HA -0.171 4.168 4.340 -0.003 0.000 0.208 217 L C 1.729 178.460 176.870 -0.233 0.000 1.071 217 L CA 1.604 56.310 54.840 -0.223 0.000 0.745 217 L CB -0.243 41.583 42.059 -0.389 0.000 0.892 217 L HN 0.347 nan 8.230 nan 0.000 0.431 218 W N -0.136 121.166 121.300 0.003 0.000 2.402 218 W HA -0.125 4.533 4.660 -0.003 0.000 0.286 218 W C 2.367 178.920 176.519 0.057 0.000 1.221 218 W CA 0.577 57.928 57.345 0.009 0.000 1.257 218 W CB -0.299 29.138 29.460 -0.038 0.000 1.120 218 W HN 0.101 nan 8.180 nan 0.000 0.551 219 L N -0.111 121.237 121.223 0.208 0.000 2.093 219 L HA -0.198 4.140 4.340 -0.003 0.000 0.208 219 L C 1.786 178.757 176.870 0.168 0.000 1.085 219 L CA 1.134 56.077 54.840 0.172 0.000 0.755 219 L CB -0.766 41.383 42.059 0.150 0.000 0.904 219 L HN -0.081 nan 8.230 nan 0.000 0.435 220 D N -0.359 120.129 120.400 0.148 0.000 2.264 220 D HA -0.117 4.521 4.640 -0.003 0.000 0.208 220 D C 2.238 178.598 176.300 0.101 0.000 0.966 220 D CA 0.921 54.990 54.000 0.115 0.000 0.864 220 D CB 0.051 40.901 40.800 0.083 0.000 0.933 220 D HN 0.252 nan 8.370 nan 0.000 0.499 221 M N -0.976 118.705 119.600 0.134 0.000 2.492 221 M HA 0.091 4.569 4.480 -0.003 0.000 0.262 221 M C 1.212 177.633 176.300 0.203 0.000 1.090 221 M CA 0.877 56.293 55.300 0.193 0.000 1.110 221 M CB 0.176 32.990 32.600 0.357 0.000 1.407 221 M HN 0.167 nan 8.290 nan 0.000 0.470 222 G N 0.995 109.917 108.800 0.204 0.000 2.154 222 G HA2 -0.164 3.794 3.960 -0.003 0.000 0.186 222 G HA3 -0.164 3.794 3.960 -0.003 0.000 0.186 222 G C 0.130 175.177 174.900 0.245 0.000 1.000 222 G CA 0.066 45.287 45.100 0.202 0.000 0.664 222 G HN 0.449 nan 8.290 nan 0.000 0.513 223 V N -1.733 118.343 119.914 0.269 0.000 2.999 223 V HA 0.474 4.592 4.120 -0.003 0.000 0.307 223 V C 0.800 177.040 176.094 0.244 0.000 1.084 223 V CA 0.936 63.394 62.300 0.264 0.000 1.155 223 V CB 1.178 33.170 31.823 0.282 0.000 0.975 223 V HN 0.166 nan 8.190 nan 0.000 0.490 224 D N 2.243 122.812 120.400 0.282 0.000 2.433 224 D HA 0.357 4.995 4.640 -0.003 0.000 0.211 224 D C 0.630 177.195 176.300 0.441 0.000 1.114 224 D CA 1.089 55.286 54.000 0.329 0.000 0.837 224 D CB 1.333 42.327 40.800 0.323 0.000 0.984 224 D HN 0.979 nan 8.370 nan 0.000 0.505 225 G N 0.517 109.499 108.800 0.302 0.000 2.576 225 G HA2 0.578 4.536 3.960 -0.003 0.000 0.290 225 G HA3 0.578 4.536 3.960 -0.003 0.000 0.290 225 G C -1.746 173.152 174.900 -0.003 0.000 1.442 225 G CA -0.671 44.533 45.100 0.173 0.000 0.792 225 G HN -0.002 nan 8.290 nan 0.000 0.491 226 I N 0.127 120.589 120.570 -0.181 0.000 2.686 226 I HA 0.531 4.700 4.170 -0.003 0.000 0.295 226 I C -0.523 175.165 176.117 -0.715 0.000 1.114 226 I CA -1.003 60.109 61.300 -0.313 0.000 1.038 226 I CB 2.628 40.473 38.000 -0.259 0.000 1.238 226 I HN 0.236 nan 8.210 nan 0.000 0.420 227 R N 4.924 124.964 120.500 -0.767 0.000 2.275 227 R HA 0.471 4.810 4.340 -0.003 0.000 0.326 227 R C -1.507 174.566 176.300 -0.378 0.000 0.973 227 R CA -0.592 54.826 56.100 -1.136 0.000 0.854 227 R CB 1.419 30.986 30.300 -1.221 0.000 1.156 227 R HN 0.448 nan 8.270 nan 0.000 0.487 228 V N 4.315 124.085 119.914 -0.241 0.000 2.408 228 V HA 0.269 4.388 4.120 -0.003 0.000 0.267 228 V C 0.805 176.937 176.094 0.064 0.000 1.047 228 V CA -0.681 61.651 62.300 0.054 0.000 0.937 228 V CB 0.986 32.920 31.823 0.186 0.000 0.999 228 V HN 0.758 nan 8.190 nan 0.000 0.472 229 A N 4.611 127.501 122.820 0.117 0.000 2.401 229 A HA 0.639 4.957 4.320 -0.003 0.000 0.259 229 A C 1.193 178.827 177.584 0.082 0.000 1.103 229 A CA 0.223 52.333 52.037 0.122 0.000 0.789 229 A CB 0.040 19.136 19.000 0.160 0.000 1.035 229 A HN 2.333 nan 8.150 nan 0.000 0.491 230 A N 1.237 124.113 122.820 0.093 0.000 2.687 230 A HA -0.113 4.205 4.320 -0.003 0.000 0.299 230 A C 1.195 178.786 177.584 0.013 0.000 1.497 230 A CA 1.218 53.317 52.037 0.105 0.000 0.751 230 A CB -2.557 16.529 19.000 0.144 0.000 1.048 230 A HN 2.256 nan 8.150 nan 0.000 0.464 231 V N -1.713 118.163 119.914 -0.064 0.000 2.568 231 V HA -0.218 3.901 4.120 -0.003 0.000 0.253 231 V C 2.003 177.846 176.094 -0.419 0.000 1.072 231 V CA 2.617 64.827 62.300 -0.151 0.000 1.084 231 V CB -0.746 30.979 31.823 -0.163 0.000 0.676 231 V HN 0.777 nan 8.190 nan 0.000 0.469 232 K N -0.581 119.374 120.400 -0.741 0.000 2.515 232 K HA -0.118 4.200 4.320 -0.003 0.000 0.196 232 K C 1.582 177.552 176.600 -1.050 0.000 1.038 232 K CA 1.247 56.683 56.287 -1.418 0.000 0.967 232 K CB -0.189 31.205 32.500 -1.842 0.000 0.780 232 K HN 0.737 nan 8.250 nan 0.000 0.483 233 H N -0.868 117.979 119.070 -0.371 0.000 2.672 233 H HA 0.238 4.793 4.556 -0.003 0.000 0.277 233 H C -0.087 175.120 175.328 -0.202 0.000 1.074 233 H CA -0.017 55.868 56.048 -0.272 0.000 1.173 233 H CB 0.357 29.993 29.762 -0.211 0.000 1.558 233 H HN 0.154 nan 8.280 nan 0.000 0.539 234 M N 0.855 120.405 119.600 -0.084 0.000 2.662 234 M HA 0.385 4.863 4.480 -0.003 0.000 0.310 234 M C -2.605 173.701 176.300 0.010 0.000 1.204 234 M CA -1.909 53.368 55.300 -0.038 0.000 0.891 234 M CB 2.438 35.017 32.600 -0.035 0.000 1.732 234 M HN -0.208 nan 8.290 nan 0.000 0.467 235 P HA 0.105 nan 4.420 nan 0.000 0.276 235 P C 0.395 177.847 177.300 0.255 0.000 1.235 235 P CA -0.206 62.983 63.100 0.147 0.000 0.772 235 P CB 0.599 32.426 31.700 0.212 0.000 0.871 236 L N 3.472 124.871 121.223 0.293 0.000 2.081 236 L HA -0.183 4.155 4.340 -0.003 0.000 0.212 236 L C 2.116 179.086 176.870 0.166 0.000 1.080 236 L CA 2.349 57.372 54.840 0.304 0.000 0.754 236 L CB -0.981 41.254 42.059 0.292 0.000 0.893 236 L HN 0.531 nan 8.230 nan 0.000 0.433 237 G N -0.719 108.179 108.800 0.164 0.000 2.440 237 G HA2 -0.373 3.585 3.960 -0.003 0.000 0.218 237 G HA3 -0.373 3.585 3.960 -0.003 0.000 0.218 237 G C 1.183 176.172 174.900 0.148 0.000 1.154 237 G CA 0.810 45.999 45.100 0.148 0.000 0.767 237 G HN 0.673 nan 8.290 nan 0.000 0.552 238 W N 1.405 122.749 121.300 0.073 0.000 2.381 238 W HA -0.018 4.641 4.660 -0.002 0.000 0.301 238 W C 2.855 179.402 176.519 0.047 0.000 1.205 238 W CA 1.569 58.940 57.345 0.043 0.000 1.285 238 W CB -0.100 29.335 29.460 -0.040 0.000 1.133 238 W HN 0.307 nan 8.180 nan 0.000 0.521 239 Q N 0.217 119.993 119.800 -0.040 0.000 2.170 239 Q HA -0.238 4.100 4.340 -0.003 0.000 0.203 239 Q C 2.145 178.072 176.000 -0.121 0.000 0.976 239 Q CA 1.752 57.490 55.803 -0.108 0.000 0.858 239 Q CB -0.456 28.404 28.738 0.202 0.000 0.907 239 Q HN 0.362 nan 8.270 nan 0.000 0.433 240 K N 0.666 121.004 120.400 -0.103 0.000 2.025 240 K HA -0.153 4.165 4.320 -0.003 0.000 0.207 240 K C 2.349 178.864 176.600 -0.141 0.000 1.049 240 K CA 1.502 57.721 56.287 -0.112 0.000 0.933 240 K CB -0.196 32.263 32.500 -0.069 0.000 0.714 240 K HN 0.047 nan 8.250 nan 0.000 0.438 241 S N -0.138 115.466 115.700 -0.159 0.000 2.370 241 S HA -0.189 4.279 4.470 -0.003 0.000 0.226 241 S C 1.703 176.171 174.600 -0.220 0.000 1.033 241 S CA 1.331 59.436 58.200 -0.158 0.000 1.011 241 S CB -0.463 62.656 63.200 -0.134 0.000 0.852 241 S HN 0.620 nan 8.310 nan 0.000 0.457 242 W N 1.539 122.441 121.300 -0.663 0.000 2.379 242 W HA 0.033 4.691 4.660 -0.002 0.000 0.307 242 W C 2.003 178.243 176.519 -0.465 0.000 1.200 242 W CA 1.235 58.176 57.345 -0.674 0.000 1.297 242 W CB -0.455 28.308 29.460 -1.162 0.000 1.140 242 W HN 0.220 nan 8.180 nan 0.000 0.507 243 M N 0.766 120.111 119.600 -0.425 0.000 2.108 243 M HA -0.196 4.282 4.480 -0.003 0.000 0.261 243 M C 2.340 178.248 176.300 -0.654 0.000 1.066 243 M CA 2.235 57.127 55.300 -0.681 0.000 1.107 243 M CB -2.117 30.205 32.600 -0.464 0.000 1.356 243 M HN 0.266 nan 8.290 nan 0.000 0.406 244 S N -0.538 114.982 115.700 -0.300 0.000 2.423 244 S HA -0.093 4.375 4.470 -0.003 0.000 0.231 244 S C 2.068 176.586 174.600 -0.137 0.000 1.014 244 S CA 1.401 59.529 58.200 -0.120 0.000 0.965 244 S CB -0.735 62.440 63.200 -0.041 0.000 0.785 244 S HN 0.570 nan 8.310 nan 0.000 0.495 245 S N 2.005 117.578 115.700 -0.211 0.000 2.383 245 S HA 0.002 4.470 4.470 -0.003 0.000 0.227 245 S C 1.828 176.307 174.600 -0.202 0.000 1.026 245 S CA 0.889 58.993 58.200 -0.160 0.000 0.981 245 S CB -0.786 62.329 63.200 -0.141 0.000 0.818 245 S HN 0.547 nan 8.310 nan 0.000 0.472 246 I N 0.176 120.495 120.570 -0.420 0.000 2.163 246 I HA -0.116 4.052 4.170 -0.003 0.000 0.240 246 I C 2.253 178.278 176.117 -0.154 0.000 1.081 246 I CA 1.327 62.387 61.300 -0.400 0.000 1.353 246 I CB -0.487 37.069 38.000 -0.741 0.000 1.054 246 I HN 0.241 nan 8.210 nan 0.000 0.407 247 Y N 0.661 120.878 120.300 -0.138 0.000 2.333 247 Y HA -0.153 4.396 4.550 -0.003 0.000 0.290 247 Y C 2.498 178.374 175.900 -0.040 0.000 1.144 247 Y CA 0.636 58.689 58.100 -0.078 0.000 1.228 247 Y CB -1.171 37.240 38.460 -0.081 0.000 0.985 247 Y HN 0.149 nan 8.280 nan 0.000 0.542 248 A N -1.564 121.320 122.820 0.108 0.000 2.072 248 A HA -0.104 4.214 4.320 -0.003 0.000 0.216 248 A C 2.093 179.730 177.584 0.088 0.000 1.156 248 A CA 1.200 53.283 52.037 0.076 0.000 0.701 248 A CB -0.615 18.414 19.000 0.048 0.000 0.816 248 A HN 0.573 nan 8.150 nan 0.000 0.458 249 H N -1.017 118.044 119.070 -0.016 0.000 2.334 249 H HA 0.293 4.848 4.556 -0.003 0.000 0.315 249 H C -0.140 175.187 175.328 -0.003 0.000 1.056 249 H CA 1.061 57.098 56.048 -0.019 0.000 1.418 249 H CB 0.269 30.003 29.762 -0.046 0.000 1.464 249 H HN 0.274 nan 8.280 nan 0.000 0.587 250 K N 1.718 122.103 120.400 -0.025 0.000 2.790 250 K HA 0.239 4.558 4.320 -0.003 0.000 0.253 250 K C -2.921 173.717 176.600 0.064 0.000 1.082 250 K CA -1.827 54.423 56.287 -0.061 0.000 1.067 250 K CB 2.020 34.461 32.500 -0.099 0.000 1.284 250 K HN 0.132 nan 8.250 nan 0.000 0.529 251 P HA -0.007 nan 4.420 nan 0.000 0.267 251 P C -0.400 177.021 177.300 0.202 0.000 1.209 251 P CA -0.175 63.069 63.100 0.240 0.000 0.763 251 P CB 0.928 32.723 31.700 0.159 0.000 0.816 252 V N 1.502 121.566 119.914 0.250 0.000 3.040 252 V HA 0.529 4.648 4.120 -0.003 0.000 0.312 252 V C -0.323 175.971 176.094 0.332 0.000 1.115 252 V CA -1.483 60.969 62.300 0.252 0.000 0.998 252 V CB 1.739 33.661 31.823 0.165 0.000 1.042 252 V HN 0.342 nan 8.190 nan 0.000 0.433 253 F N 2.077 122.152 119.950 0.209 0.000 2.543 253 F HA 0.604 5.130 4.527 -0.003 0.000 0.375 253 F C 0.310 176.146 175.800 0.060 0.000 1.075 253 F CA 0.716 58.797 58.000 0.135 0.000 1.225 253 F CB 0.477 39.503 39.000 0.043 0.000 1.099 253 F HN 0.733 nan 8.300 nan 0.000 0.561 254 T N 8.381 122.663 114.554 -0.453 0.000 2.841 254 T HA 0.541 4.889 4.350 -0.003 0.000 0.285 254 T C -1.073 173.384 174.700 -0.405 0.000 0.991 254 T CA -0.301 61.559 62.100 -0.399 0.000 0.966 254 T CB 0.704 69.424 68.868 -0.247 0.000 0.962 254 T HN 0.423 nan 8.240 nan 0.000 0.438 255 F N 0.072 119.672 119.950 -0.583 0.000 2.593 255 F HA 0.976 5.501 4.527 -0.003 0.000 0.320 255 F C 0.158 175.869 175.800 -0.148 0.000 1.060 255 F CA -1.684 56.091 58.000 -0.374 0.000 0.940 255 F CB 1.028 39.779 39.000 -0.414 0.000 1.268 255 F HN 0.695 nan 8.300 nan 0.000 0.475 256 G N -0.299 108.580 108.800 0.133 0.000 2.569 256 G HA2 0.468 4.426 3.960 -0.003 0.000 0.300 256 G HA3 0.468 4.426 3.960 -0.003 0.000 0.300 256 G C -1.954 173.062 174.900 0.193 0.000 1.269 256 G CA -0.832 44.332 45.100 0.107 0.000 0.959 256 G HN 0.824 nan 8.290 nan 0.000 0.478 257 E N 0.894 121.197 120.200 0.172 0.000 2.014 257 E HA 0.109 4.458 4.350 -0.003 0.000 0.275 257 E C -1.220 175.516 176.600 0.227 0.000 0.997 257 E CA -0.741 55.829 56.400 0.285 0.000 0.804 257 E CB 0.714 30.584 29.700 0.283 0.000 1.090 257 E HN 0.468 nan 8.360 nan 0.000 0.401 258 W N 7.796 129.151 121.300 0.092 0.000 2.394 258 W HA 0.230 4.889 4.660 -0.003 0.000 0.312 258 W C -1.443 175.009 176.519 -0.112 0.000 0.981 258 W CA -1.345 55.972 57.345 -0.047 0.000 1.519 258 W CB 0.086 29.481 29.460 -0.109 0.000 1.304 258 W HN 0.420 nan 8.180 nan 0.000 0.412 259 F N 5.697 125.474 119.950 -0.287 0.000 2.578 259 F HA 0.199 4.724 4.527 -0.003 0.000 0.381 259 F C -0.367 175.244 175.800 -0.314 0.000 1.069 259 F CA 0.829 58.374 58.000 -0.759 0.000 1.231 259 F CB 0.498 39.166 39.000 -0.553 0.000 1.086 259 F HN 0.131 nan 8.300 nan 0.000 0.564 260 L N 4.905 125.848 121.223 -0.467 0.000 2.381 260 L HA 0.411 4.750 4.340 -0.003 0.000 0.268 260 L C 0.898 177.776 176.870 0.013 0.000 0.997 260 L CA -0.666 54.202 54.840 0.046 0.000 0.818 260 L CB 2.088 44.250 42.059 0.172 0.000 1.310 260 L HN 0.718 nan 8.230 nan 0.000 0.416 261 G N 0.326 109.238 108.800 0.187 0.000 3.284 261 G HA2 0.267 4.225 3.960 -0.003 0.000 0.236 261 G HA3 0.267 4.225 3.960 -0.003 0.000 0.236 261 G C 0.173 175.157 174.900 0.140 0.000 1.158 261 G CA 0.481 45.705 45.100 0.207 0.000 0.774 261 G HN 0.589 nan 8.290 nan 0.000 0.545 262 S N -2.648 113.125 115.700 0.121 0.000 2.636 262 S HA 0.589 5.058 4.470 -0.003 0.000 0.268 262 S C 0.643 175.300 174.600 0.094 0.000 1.159 262 S CA 0.116 58.371 58.200 0.092 0.000 0.815 262 S CB 1.104 64.349 63.200 0.075 0.000 1.130 262 S HN 0.546 nan 8.310 nan 0.000 0.471 263 A N 0.024 122.883 122.820 0.065 0.000 2.206 263 A HA 0.639 4.957 4.320 -0.003 0.000 0.211 263 A C 1.237 178.860 177.584 0.064 0.000 1.158 263 A CA 0.665 52.740 52.037 0.064 0.000 0.761 263 A CB -1.271 17.745 19.000 0.027 0.000 0.801 263 A HN 1.577 nan 8.150 nan 0.000 0.473 264 A N 0.173 123.028 122.820 0.059 0.000 2.483 264 A HA 0.456 4.774 4.320 -0.003 0.000 0.238 264 A C 0.708 178.321 177.584 0.049 0.000 1.070 264 A CA -0.032 52.032 52.037 0.046 0.000 0.770 264 A CB -0.043 18.984 19.000 0.046 0.000 1.008 264 A HN 0.312 nan 8.150 nan 0.000 0.497 265 S N 0.455 116.166 115.700 0.018 0.000 2.562 265 S HA 0.255 4.723 4.470 -0.003 0.000 0.281 265 S C -0.169 174.437 174.600 0.011 0.000 1.333 265 S CA 0.200 58.394 58.200 -0.011 0.000 1.052 265 S CB 0.402 63.577 63.200 -0.043 0.000 0.884 265 S HN 0.736 nan 8.310 nan 0.000 0.506 266 D N 0.815 121.216 120.400 0.001 0.000 2.549 266 D HA 0.574 5.212 4.640 -0.003 0.000 0.251 266 D C 0.577 176.864 176.300 -0.022 0.000 1.153 266 D CA -0.474 53.540 54.000 0.023 0.000 0.861 266 D CB 1.000 41.840 40.800 0.066 0.000 1.207 266 D HN 0.392 nan 8.370 nan 0.000 0.543 267 A N 3.611 126.436 122.820 0.008 0.000 1.917 267 A HA -0.217 4.102 4.320 -0.003 0.000 0.219 267 A C 1.665 179.245 177.584 -0.007 0.000 1.182 267 A CA 1.597 53.636 52.037 0.004 0.000 0.633 267 A CB -0.330 18.694 19.000 0.039 0.000 0.819 267 A HN 0.711 nan 8.150 nan 0.000 0.448 268 D N -0.530 119.885 120.400 0.025 0.000 2.144 268 D HA -0.148 4.490 4.640 -0.003 0.000 0.200 268 D C 1.869 177.920 176.300 -0.415 0.000 0.978 268 D CA 1.154 55.167 54.000 0.022 0.000 0.833 268 D CB -0.463 40.534 40.800 0.329 0.000 0.961 268 D HN 0.627 nan 8.370 nan 0.000 0.470 269 N N 0.785 119.114 118.700 -0.618 0.000 2.106 269 N HA -0.130 4.608 4.740 -0.003 0.000 0.188 269 N C 1.480 176.808 175.510 -0.305 0.000 1.029 269 N CA 1.473 53.929 53.050 -0.991 0.000 0.848 269 N CB 0.093 38.205 38.487 -0.625 0.000 1.007 269 N HN 0.002 nan 8.380 nan 0.000 0.423 270 T N 1.312 115.800 114.554 -0.109 0.000 2.708 270 T HA -0.113 4.236 4.350 -0.003 0.000 0.266 270 T C 1.219 175.947 174.700 0.047 0.000 1.037 270 T CA 1.291 63.402 62.100 0.018 0.000 1.146 270 T CB -0.468 68.334 68.868 -0.110 0.000 0.865 270 T HN 0.253 nan 8.240 nan 0.000 0.435 271 D N 0.449 120.849 120.400 0.000 0.000 2.116 271 D HA -0.095 4.544 4.640 -0.003 0.000 0.193 271 D C 1.731 178.056 176.300 0.042 0.000 0.998 271 D CA 0.917 54.936 54.000 0.031 0.000 0.836 271 D CB -0.514 40.320 40.800 0.056 0.000 0.951 271 D HN 0.308 nan 8.370 nan 0.000 0.449 272 F N 1.504 121.397 119.950 -0.095 0.000 2.069 272 F HA -0.234 4.291 4.527 -0.003 0.000 0.298 272 F C 2.303 178.113 175.800 0.017 0.000 1.113 272 F CA 1.889 59.869 58.000 -0.033 0.000 1.214 272 F CB -0.353 38.551 39.000 -0.159 0.000 0.978 272 F HN -0.048 nan 8.300 nan 0.000 0.474 273 A N 0.116 123.067 122.820 0.218 0.000 1.940 273 A HA -0.228 4.090 4.320 -0.003 0.000 0.219 273 A C 1.918 179.549 177.584 0.079 0.000 1.176 273 A CA 2.050 54.188 52.037 0.168 0.000 0.631 273 A CB -0.810 18.310 19.000 0.200 0.000 0.814 273 A HN 0.531 nan 8.150 nan 0.000 0.446 274 N N -0.787 117.959 118.700 0.078 0.000 2.424 274 N HA 0.021 4.759 4.740 -0.003 0.000 0.178 274 N C 1.148 176.644 175.510 -0.023 0.000 1.060 274 N CA 0.985 54.060 53.050 0.041 0.000 0.901 274 N CB 0.098 38.618 38.487 0.056 0.000 0.979 274 N HN 0.615 nan 8.380 nan 0.000 0.451 275 K N -0.612 119.740 120.400 -0.080 0.000 2.464 275 K HA 0.168 4.486 4.320 -0.003 0.000 0.206 275 K C 1.722 178.212 176.600 -0.183 0.000 1.186 275 K CA 0.160 56.383 56.287 -0.106 0.000 0.990 275 K CB 0.552 33.013 32.500 -0.065 0.000 1.003 275 K HN 0.033 nan 8.250 nan 0.000 0.562 276 S N 0.208 115.692 115.700 -0.360 0.000 2.383 276 S HA 0.007 4.476 4.470 -0.003 0.000 0.227 276 S C 1.674 176.149 174.600 -0.208 0.000 1.026 276 S CA 1.097 59.032 58.200 -0.442 0.000 0.981 276 S CB -0.077 62.492 63.200 -1.050 0.000 0.818 276 S HN 0.409 nan 8.310 nan 0.000 0.472 277 G N 1.116 109.845 108.800 -0.118 0.000 2.211 277 G HA2 -0.150 3.808 3.960 -0.003 0.000 0.201 277 G HA3 -0.150 3.808 3.960 -0.003 0.000 0.201 277 G C -0.075 174.888 174.900 0.105 0.000 0.997 277 G CA -0.016 45.101 45.100 0.028 0.000 0.652 277 G HN 0.876 nan 8.290 nan 0.000 0.500 278 M N 0.174 119.785 119.600 0.017 0.000 2.727 278 M HA 0.858 5.336 4.480 -0.003 0.000 0.300 278 M C 0.356 176.698 176.300 0.070 0.000 1.246 278 M CA -0.255 55.079 55.300 0.056 0.000 0.835 278 M CB 1.939 34.577 32.600 0.063 0.000 1.755 278 M HN 0.530 nan 8.290 nan 0.000 0.473 279 S N 0.710 116.436 115.700 0.043 0.000 2.647 279 S HA 0.876 5.344 4.470 -0.003 0.000 0.284 279 S C -0.614 174.065 174.600 0.133 0.000 1.134 279 S CA -0.654 57.580 58.200 0.057 0.000 1.027 279 S CB 1.100 64.312 63.200 0.021 0.000 1.180 279 S HN 0.621 nan 8.310 nan 0.000 0.521 280 L N -0.413 120.860 121.223 0.084 0.000 2.341 280 L HA 0.576 4.914 4.340 -0.003 0.000 0.254 280 L C -0.808 176.159 176.870 0.162 0.000 1.040 280 L CA -0.789 54.155 54.840 0.172 0.000 0.837 280 L CB 1.437 43.588 42.059 0.153 0.000 1.425 280 L HN 0.770 nan 8.230 nan 0.000 0.414 281 L N 1.426 122.823 121.223 0.291 0.000 2.380 281 L HA 0.224 4.562 4.340 -0.003 0.000 0.273 281 L C 0.024 177.063 176.870 0.282 0.000 1.138 281 L CA -0.101 54.912 54.840 0.288 0.000 0.832 281 L CB 0.451 42.676 42.059 0.277 0.000 1.124 281 L HN 0.472 nan 8.230 nan 0.000 0.454 282 D N 2.663 123.171 120.400 0.180 0.000 2.517 282 D HA 0.063 4.701 4.640 -0.003 0.000 0.220 282 D C 0.755 177.050 176.300 -0.007 0.000 1.158 282 D CA 0.009 54.064 54.000 0.091 0.000 0.992 282 D CB 0.293 41.087 40.800 -0.010 0.000 1.058 282 D HN 0.276 nan 8.370 nan 0.000 0.516 283 F N 1.383 121.428 119.950 0.157 0.000 2.451 283 F HA 0.014 4.539 4.527 -0.003 0.000 0.299 283 F C 2.391 178.204 175.800 0.021 0.000 1.101 283 F CA 0.457 58.488 58.000 0.052 0.000 1.436 283 F CB 0.182 39.180 39.000 -0.002 0.000 1.074 283 F HN 0.206 nan 8.300 nan 0.000 0.553 284 R N -0.904 119.737 120.500 0.234 0.000 2.075 284 R HA -0.127 4.212 4.340 -0.003 0.000 0.226 284 R C 2.198 178.588 176.300 0.151 0.000 1.114 284 R CA 1.333 57.547 56.100 0.188 0.000 0.972 284 R CB -0.945 29.491 30.300 0.226 0.000 0.869 284 R HN 0.296 nan 8.270 nan 0.000 0.437 285 F N 2.717 122.668 119.950 0.002 0.000 2.134 285 F HA -0.194 4.331 4.527 -0.003 0.000 0.299 285 F C 2.237 177.987 175.800 -0.084 0.000 1.097 285 F CA 1.445 59.439 58.000 -0.010 0.000 1.264 285 F CB -0.348 38.630 39.000 -0.036 0.000 1.001 285 F HN 0.024 nan 8.300 nan 0.000 0.479 286 N N -0.191 118.481 118.700 -0.047 0.000 2.084 286 N HA -0.195 4.544 4.740 -0.003 0.000 0.190 286 N C 1.853 177.321 175.510 -0.069 0.000 1.030 286 N CA 1.765 54.681 53.050 -0.223 0.000 0.849 286 N CB -0.168 37.933 38.487 -0.643 0.000 1.012 286 N HN 0.320 nan 8.380 nan 0.000 0.423 287 S N 0.839 116.528 115.700 -0.017 0.000 2.348 287 S HA -0.066 4.402 4.470 -0.003 0.000 0.221 287 S C 2.219 176.803 174.600 -0.027 0.000 1.033 287 S CA 1.221 59.429 58.200 0.014 0.000 1.010 287 S CB -0.500 62.727 63.200 0.045 0.000 0.891 287 S HN 0.585 nan 8.310 nan 0.000 0.442 288 A N 1.185 123.963 122.820 -0.071 0.000 1.902 288 A HA -0.054 4.264 4.320 -0.003 0.000 0.217 288 A C 2.367 179.856 177.584 -0.159 0.000 1.181 288 A CA 1.540 53.500 52.037 -0.129 0.000 0.623 288 A CB -0.953 17.950 19.000 -0.161 0.000 0.818 288 A HN 0.333 nan 8.150 nan 0.000 0.443 289 V N -0.132 119.679 119.914 -0.172 0.000 2.295 289 V HA -0.268 3.851 4.120 -0.003 0.000 0.246 289 V C 2.668 178.892 176.094 0.218 0.000 1.049 289 V CA 2.310 64.605 62.300 -0.008 0.000 1.024 289 V CB -0.758 31.022 31.823 -0.071 0.000 0.648 289 V HN 0.536 nan 8.190 nan 0.000 0.447 290 R N -0.041 120.552 120.500 0.155 0.000 2.081 290 R HA -0.136 4.202 4.340 -0.003 0.000 0.235 290 R C 2.256 178.565 176.300 0.014 0.000 1.131 290 R CA 1.571 57.749 56.100 0.130 0.000 0.960 290 R CB -0.424 29.922 30.300 0.076 0.000 0.856 290 R HN 0.506 nan 8.270 nan 0.000 0.436 291 N N 0.119 118.808 118.700 -0.019 0.000 2.084 291 N HA -0.126 4.612 4.740 -0.003 0.000 0.190 291 N C 1.805 177.254 175.510 -0.101 0.000 1.030 291 N CA 1.218 54.233 53.050 -0.059 0.000 0.849 291 N CB -0.215 38.233 38.487 -0.065 0.000 1.012 291 N HN 0.020 nan 8.380 nan 0.000 0.423 292 V N -0.146 119.672 119.914 -0.160 0.000 2.346 292 V HA -0.065 4.054 4.120 -0.003 0.000 0.244 292 V C 1.702 177.579 176.094 -0.362 0.000 1.037 292 V CA 1.257 63.356 62.300 -0.336 0.000 1.029 292 V CB -0.483 30.993 31.823 -0.578 0.000 0.663 292 V HN 0.085 nan 8.190 nan 0.000 0.454 293 F N -0.316 119.624 119.950 -0.017 0.000 2.262 293 F HA 0.167 4.693 4.527 -0.003 0.000 0.292 293 F C 2.479 178.327 175.800 0.080 0.000 1.081 293 F CA 1.226 59.282 58.000 0.093 0.000 1.355 293 F CB -0.226 38.914 39.000 0.234 0.000 1.069 293 F HN -0.106 nan 8.300 nan 0.000 0.506 294 R N 0.446 121.000 120.500 0.090 0.000 2.039 294 R HA -0.036 4.302 4.340 -0.003 0.000 0.218 294 R C 1.417 177.621 176.300 -0.160 0.000 1.220 294 R CA 1.407 57.336 56.100 -0.285 0.000 0.993 294 R CB -0.296 29.462 30.300 -0.904 0.000 0.881 294 R HN 0.061 nan 8.270 nan 0.000 0.450 295 D N 0.828 121.149 120.400 -0.132 0.000 2.317 295 D HA -0.041 4.598 4.640 -0.003 0.000 0.211 295 D C -0.108 176.155 176.300 -0.061 0.000 0.966 295 D CA 0.382 54.329 54.000 -0.087 0.000 0.876 295 D CB -0.058 40.700 40.800 -0.072 0.000 0.927 295 D HN 0.300 nan 8.370 nan 0.000 0.519 296 N N 0.375 119.035 118.700 -0.066 0.000 2.747 296 N HA -0.152 4.586 4.740 -0.003 0.000 0.249 296 N C 0.761 176.235 175.510 -0.059 0.000 1.107 296 N CA 1.218 54.229 53.050 -0.065 0.000 0.707 296 N CB -1.948 36.513 38.487 -0.044 0.000 1.054 296 N HN 0.403 nan 8.380 nan 0.000 0.555 297 T N -5.107 109.410 114.554 -0.061 0.000 3.086 297 T HA 0.342 4.691 4.350 -0.003 0.000 0.250 297 T C 0.688 175.356 174.700 -0.054 0.000 1.074 297 T CA 0.261 62.332 62.100 -0.048 0.000 0.988 297 T CB 0.724 69.570 68.868 -0.037 0.000 0.988 297 T HN 0.123 nan 8.240 nan 0.000 0.530 298 S N 1.481 117.134 115.700 -0.078 0.000 2.685 298 S HA 0.689 5.157 4.470 -0.003 0.000 0.282 298 S C -1.140 173.390 174.600 -0.116 0.000 1.159 298 S CA -0.945 57.204 58.200 -0.085 0.000 0.833 298 S CB 1.920 65.061 63.200 -0.098 0.000 1.151 298 S HN 0.704 nan 8.310 nan 0.000 0.485 299 N N -0.451 118.186 118.700 -0.104 0.000 2.890 299 N HA 0.415 5.154 4.740 -0.003 0.000 0.317 299 N C 0.667 176.044 175.510 -0.221 0.000 1.355 299 N CA -0.792 52.179 53.050 -0.132 0.000 0.803 299 N CB -0.250 38.223 38.487 -0.023 0.000 1.465 299 N HN 0.327 nan 8.380 nan 0.000 0.591 300 M N -0.689 118.727 119.600 -0.306 0.000 2.195 300 M HA -0.105 4.373 4.480 -0.003 0.000 0.260 300 M C 1.246 177.202 176.300 -0.574 0.000 1.066 300 M CA 1.590 56.587 55.300 -0.504 0.000 1.089 300 M CB -1.482 30.825 32.600 -0.489 0.000 1.377 300 M HN 0.546 nan 8.290 nan 0.000 0.411 301 Y N 0.284 120.428 120.300 -0.260 0.000 2.181 301 Y HA -0.114 4.435 4.550 -0.003 0.000 0.288 301 Y C 2.617 178.390 175.900 -0.211 0.000 1.146 301 Y CA 1.496 59.468 58.100 -0.214 0.000 1.164 301 Y CB -1.102 37.275 38.460 -0.137 0.000 0.982 301 Y HN 0.296 nan 8.280 nan 0.000 0.515 302 A N -0.119 122.666 122.820 -0.057 0.000 1.917 302 A HA -0.217 4.101 4.320 -0.003 0.000 0.219 302 A C 2.193 179.684 177.584 -0.154 0.000 1.182 302 A CA 1.822 53.805 52.037 -0.091 0.000 0.633 302 A CB -1.086 17.852 19.000 -0.104 0.000 0.819 302 A HN 0.402 nan 8.150 nan 0.000 0.448 303 L N 0.074 121.127 121.223 -0.283 0.000 2.017 303 L HA -0.157 4.181 4.340 -0.003 0.000 0.208 303 L C 2.053 178.791 176.870 -0.221 0.000 1.073 303 L CA 2.623 57.267 54.840 -0.326 0.000 0.745 303 L CB -0.691 41.037 42.059 -0.552 0.000 0.894 303 L HN 0.539 nan 8.230 nan 0.000 0.432 304 D N -1.936 118.252 120.400 -0.354 0.000 2.117 304 D HA -0.212 4.426 4.640 -0.003 0.000 0.197 304 D C 2.373 178.675 176.300 0.005 0.000 0.987 304 D CA 1.319 55.229 54.000 -0.150 0.000 0.829 304 D CB 0.003 40.676 40.800 -0.210 0.000 0.961 304 D HN 0.328 nan 8.370 nan 0.000 0.460 305 S N -0.836 114.854 115.700 -0.016 0.000 2.399 305 S HA -0.155 4.313 4.470 -0.003 0.000 0.231 305 S C 1.915 176.533 174.600 0.031 0.000 1.022 305 S CA 1.100 59.312 58.200 0.020 0.000 0.983 305 S CB -0.438 62.770 63.200 0.013 0.000 0.803 305 S HN 0.332 nan 8.310 nan 0.000 0.480 306 M N 0.848 120.461 119.600 0.021 0.000 2.254 306 M HA 0.002 4.480 4.480 -0.003 0.000 0.265 306 M C 1.596 177.965 176.300 0.115 0.000 1.066 306 M CA 1.305 56.638 55.300 0.055 0.000 1.123 306 M CB -0.791 31.825 32.600 0.027 0.000 1.388 306 M HN 0.322 nan 8.290 nan 0.000 0.425 307 I N 1.439 122.088 120.570 0.132 0.000 2.226 307 I HA -0.289 3.879 4.170 -0.003 0.000 0.245 307 I C 1.922 178.122 176.117 0.139 0.000 1.100 307 I CA 1.224 62.631 61.300 0.178 0.000 1.374 307 I CB -1.763 36.361 38.000 0.207 0.000 1.057 307 I HN 0.337 nan 8.210 nan 0.000 0.413 308 N N 0.212 118.978 118.700 0.110 0.000 2.135 308 N HA -0.134 4.605 4.740 -0.003 0.000 0.186 308 N C 2.070 177.616 175.510 0.061 0.000 1.027 308 N CA 1.483 54.584 53.050 0.086 0.000 0.849 308 N CB -0.427 38.106 38.487 0.076 0.000 1.002 308 N HN 0.220 nan 8.380 nan 0.000 0.425 309 S N 0.361 116.089 115.700 0.047 0.000 2.368 309 S HA -0.116 4.352 4.470 -0.003 0.000 0.224 309 S C 2.014 176.606 174.600 -0.014 0.000 1.029 309 S CA 2.091 60.298 58.200 0.012 0.000 0.988 309 S CB -0.579 62.623 63.200 0.005 0.000 0.838 309 S HN 0.599 nan 8.310 nan 0.000 0.462 310 T N -0.240 114.339 114.554 0.042 0.000 2.867 310 T HA 0.154 4.503 4.350 -0.003 0.000 0.268 310 T C 1.892 176.657 174.700 0.108 0.000 1.057 310 T CA 1.170 63.307 62.100 0.063 0.000 1.136 310 T CB -0.735 68.302 68.868 0.282 0.000 0.874 310 T HN 0.417 nan 8.240 nan 0.000 0.466 311 A N 1.339 124.227 122.820 0.114 0.000 2.014 311 A HA 0.051 4.370 4.320 -0.003 0.000 0.218 311 A C 2.495 180.115 177.584 0.059 0.000 1.163 311 A CA 1.648 53.752 52.037 0.112 0.000 0.652 311 A CB -1.037 18.025 19.000 0.104 0.000 0.808 311 A HN 0.555 nan 8.150 nan 0.000 0.449 312 T N -0.295 114.268 114.554 0.015 0.000 2.976 312 T HA -0.043 4.305 4.350 -0.003 0.000 0.257 312 T C 1.345 176.010 174.700 -0.060 0.000 1.051 312 T CA 1.130 63.222 62.100 -0.013 0.000 1.141 312 T CB -0.198 68.660 68.868 -0.017 0.000 0.881 312 T HN 0.407 nan 8.240 nan 0.000 0.461 313 D N 0.182 120.491 120.400 -0.152 0.000 2.123 313 D HA 0.018 4.656 4.640 -0.003 0.000 0.200 313 D C -0.030 176.105 176.300 -0.275 0.000 0.976 313 D CA 0.900 54.724 54.000 -0.293 0.000 0.831 313 D CB -0.093 40.393 40.800 -0.523 0.000 0.974 313 D HN 0.359 nan 8.370 nan 0.000 0.469 314 Y N 1.433 121.749 120.300 0.025 0.000 2.308 314 Y HA 0.166 4.714 4.550 -0.003 0.000 0.329 314 Y C 1.471 177.379 175.900 0.014 0.000 1.111 314 Y CA -0.821 57.293 58.100 0.025 0.000 1.179 314 Y CB 0.532 39.018 38.460 0.043 0.000 1.201 314 Y HN -0.252 nan 8.280 nan 0.000 0.483 315 N N 1.492 120.294 118.700 0.170 0.000 2.069 315 N HA -0.162 4.577 4.740 -0.003 0.000 0.191 315 N C -0.170 175.370 175.510 0.050 0.000 1.031 315 N CA 1.384 54.476 53.050 0.069 0.000 0.852 315 N CB -0.050 38.462 38.487 0.043 0.000 1.018 315 N HN 0.638 nan 8.380 nan 0.000 0.423 316 Q N -0.394 119.464 119.800 0.097 0.000 2.674 316 Q HA 0.266 4.604 4.340 -0.003 0.000 0.249 316 Q C 0.413 176.491 176.000 0.129 0.000 1.011 316 Q CA -0.134 55.728 55.803 0.097 0.000 0.734 316 Q CB 1.958 30.771 28.738 0.124 0.000 1.201 316 Q HN -0.090 nan 8.270 nan 0.000 0.498 317 V N 2.845 122.848 119.914 0.149 0.000 2.594 317 V HA -0.261 3.857 4.120 -0.003 0.000 0.253 317 V C 1.009 177.154 176.094 0.084 0.000 1.069 317 V CA 2.045 64.431 62.300 0.143 0.000 1.082 317 V CB -0.061 31.873 31.823 0.185 0.000 0.680 317 V HN 0.812 nan 8.190 nan 0.000 0.469 318 N N -0.203 118.573 118.700 0.127 0.000 2.520 318 N HA -0.118 4.621 4.740 -0.003 0.000 0.185 318 N C 0.744 176.334 175.510 0.133 0.000 1.068 318 N CA 0.938 54.064 53.050 0.127 0.000 0.911 318 N CB 0.009 38.638 38.487 0.237 0.000 0.961 318 N HN 0.485 nan 8.380 nan 0.000 0.446 319 D N 0.190 120.692 120.400 0.170 0.000 2.339 319 D HA 0.024 4.662 4.640 -0.003 0.000 0.217 319 D C 0.059 176.435 176.300 0.127 0.000 1.050 319 D CA 0.499 54.644 54.000 0.243 0.000 0.856 319 D CB 0.255 41.225 40.800 0.283 0.000 0.922 319 D HN 0.147 nan 8.370 nan 0.000 0.518 320 Q N 0.634 120.426 119.800 -0.014 0.000 2.267 320 Q HA 0.259 4.597 4.340 -0.003 0.000 0.255 320 Q C -0.093 175.834 176.000 -0.122 0.000 0.923 320 Q CA -0.434 55.308 55.803 -0.101 0.000 0.925 320 Q CB 2.052 30.671 28.738 -0.198 0.000 1.195 320 Q HN -0.108 nan 8.270 nan 0.000 0.417 321 V N 3.184 123.021 119.914 -0.129 0.000 2.408 321 V HA 0.223 4.341 4.120 -0.003 0.000 0.267 321 V C 0.736 176.821 176.094 -0.015 0.000 1.047 321 V CA -0.476 61.727 62.300 -0.161 0.000 0.937 321 V CB 0.421 32.010 31.823 -0.389 0.000 0.999 321 V HN 0.867 nan 8.190 nan 0.000 0.472 322 T N 2.613 117.085 114.554 -0.135 0.000 2.902 322 T HA 0.873 5.222 4.350 -0.003 0.000 0.280 322 T C -0.640 174.131 174.700 0.118 0.000 0.992 322 T CA -0.518 61.439 62.100 -0.238 0.000 1.015 322 T CB 1.633 69.981 68.868 -0.867 0.000 1.044 322 T HN 0.780 nan 8.240 nan 0.000 0.520 323 F N -1.037 118.927 119.950 0.023 0.000 2.769 323 F HA 0.467 4.992 4.527 -0.003 0.000 0.313 323 F C 0.113 176.013 175.800 0.167 0.000 1.146 323 F CA -1.430 56.620 58.000 0.083 0.000 0.934 323 F CB 0.606 39.639 39.000 0.056 0.000 1.283 323 F HN 0.613 nan 8.300 nan 0.000 0.443 324 I N -0.983 119.735 120.570 0.246 0.000 3.941 324 I HA 0.396 4.564 4.170 -0.003 0.000 0.321 324 I C -0.743 175.597 176.117 0.373 0.000 1.284 324 I CA 0.361 61.788 61.300 0.211 0.000 1.226 324 I CB 0.227 38.225 38.000 -0.003 0.000 1.045 324 I HN 0.700 nan 8.210 nan 0.000 0.420 325 D N 0.700 121.371 120.400 0.452 0.000 2.725 325 D HA 0.363 5.002 4.640 -0.003 0.000 0.292 325 D C -1.184 175.256 176.300 0.233 0.000 1.288 325 D CA -0.681 53.560 54.000 0.402 0.000 0.784 325 D CB 0.631 41.650 40.800 0.365 0.000 1.308 325 D HN 0.326 nan 8.370 nan 0.000 0.429 326 N N -2.660 116.019 118.700 -0.036 0.000 3.179 326 N HA 0.162 4.900 4.740 -0.003 0.000 0.250 326 N C 0.494 175.630 175.510 -0.622 0.000 1.507 326 N CA -0.548 52.168 53.050 -0.557 0.000 0.883 326 N CB -0.013 38.238 38.487 -0.393 0.000 1.435 326 N HN 0.578 nan 8.380 nan 0.000 0.532 327 H N -1.828 116.744 119.070 -0.830 0.000 2.561 327 H HA 0.134 4.688 4.556 -0.003 0.000 0.278 327 H C -0.754 174.557 175.328 -0.028 0.000 1.014 327 H CA 0.819 56.679 56.048 -0.313 0.000 1.211 327 H CB -0.269 29.404 29.762 -0.149 0.000 1.365 327 H HN 0.529 nan 8.280 nan 0.000 0.594 328 D N 0.807 120.954 120.400 -0.421 0.000 2.424 328 D HA 0.179 4.817 4.640 -0.003 0.000 0.220 328 D C 0.854 177.191 176.300 0.061 0.000 1.150 328 D CA 0.069 53.975 54.000 -0.157 0.000 0.831 328 D CB 0.493 41.220 40.800 -0.122 0.000 0.981 328 D HN 0.596 nan 8.370 nan 0.000 0.500 329 M N -2.049 117.590 119.600 0.065 0.000 2.773 329 M HA 0.407 4.886 4.480 -0.003 0.000 0.270 329 M C -1.762 174.609 176.300 0.119 0.000 1.238 329 M CA -0.929 54.451 55.300 0.134 0.000 0.832 329 M CB 1.943 34.673 32.600 0.218 0.000 1.672 329 M HN -0.449 nan 8.290 nan 0.000 0.480 330 D N 2.719 123.187 120.400 0.113 0.000 2.458 330 D HA 0.165 4.804 4.640 -0.003 0.000 0.243 330 D C -0.081 176.301 176.300 0.137 0.000 1.146 330 D CA 0.234 54.294 54.000 0.100 0.000 0.877 330 D CB 0.624 41.464 40.800 0.066 0.000 1.176 330 D HN 0.363 nan 8.370 nan 0.000 0.461 331 R N 1.713 122.300 120.500 0.146 0.000 2.697 331 R HA -0.092 4.247 4.340 -0.003 0.000 0.265 331 R C 1.200 177.629 176.300 0.214 0.000 1.009 331 R CA 0.012 56.227 56.100 0.193 0.000 1.099 331 R CB -0.003 30.378 30.300 0.134 0.000 0.965 331 R HN 0.524 nan 8.270 nan 0.000 0.428 332 F N 2.134 122.152 119.950 0.112 0.000 2.095 332 F HA -0.187 4.338 4.527 -0.003 0.000 0.298 332 F C 1.147 177.005 175.800 0.096 0.000 1.104 332 F CA 1.506 59.569 58.000 0.104 0.000 1.232 332 F CB -0.018 39.044 39.000 0.104 0.000 0.987 332 F HN 0.276 nan 8.300 nan 0.000 0.475 333 K N 1.333 121.965 120.400 0.388 0.000 2.383 333 K HA 0.204 4.522 4.320 -0.003 0.000 0.286 333 K C -0.694 175.989 176.600 0.139 0.000 1.051 333 K CA 0.274 56.728 56.287 0.280 0.000 0.974 333 K CB 0.537 33.209 32.500 0.287 0.000 0.968 333 K HN 0.148 nan 8.250 nan 0.000 0.475 334 T N 1.739 116.348 114.554 0.091 0.000 2.838 334 T HA 0.219 4.568 4.350 -0.003 0.000 0.292 334 T C 0.875 175.601 174.700 0.044 0.000 1.113 334 T CA -0.143 61.984 62.100 0.046 0.000 1.008 334 T CB 1.186 70.057 68.868 0.005 0.000 1.259 334 T HN 0.636 nan 8.240 nan 0.000 0.520 335 S N 0.855 116.572 115.700 0.028 0.000 2.370 335 S HA -0.102 4.367 4.470 -0.003 0.000 0.226 335 S C 2.205 176.816 174.600 0.019 0.000 1.033 335 S CA 1.181 59.394 58.200 0.021 0.000 1.011 335 S CB -0.726 62.482 63.200 0.013 0.000 0.852 335 S HN 0.775 nan 8.310 nan 0.000 0.457 336 A N 1.257 124.084 122.820 0.012 0.000 2.066 336 A HA 0.356 4.674 4.320 -0.003 0.000 0.218 336 A C 1.032 178.627 177.584 0.019 0.000 1.157 336 A CA 0.395 52.438 52.037 0.010 0.000 0.670 336 A CB -0.525 18.475 19.000 -0.001 0.000 0.804 336 A HN 0.396 nan 8.150 nan 0.000 0.453 337 V N 3.207 123.137 119.914 0.026 0.000 2.488 337 V HA 0.112 4.230 4.120 -0.003 0.000 0.277 337 V C -0.088 176.066 176.094 0.100 0.000 1.046 337 V CA -0.891 61.442 62.300 0.055 0.000 0.986 337 V CB 0.589 32.435 31.823 0.038 0.000 0.989 337 V HN 0.635 nan 8.190 nan 0.000 0.475 338 N N 4.207 122.976 118.700 0.116 0.000 2.463 338 N HA 0.197 4.935 4.740 -0.003 0.000 0.270 338 N C 0.371 175.977 175.510 0.159 0.000 1.205 338 N CA -0.742 52.372 53.050 0.106 0.000 0.974 338 N CB 0.696 39.230 38.487 0.078 0.000 1.197 338 N HN 0.435 nan 8.380 nan 0.000 0.504 339 N N 0.537 119.300 118.700 0.105 0.000 2.166 339 N HA -0.157 4.581 4.740 -0.003 0.000 0.186 339 N C 1.588 177.224 175.510 0.211 0.000 1.019 339 N CA 0.963 54.111 53.050 0.164 0.000 0.856 339 N CB -0.319 38.135 38.487 -0.055 0.000 0.993 339 N HN 0.538 nan 8.380 nan 0.000 0.426 340 R N 1.251 121.839 120.500 0.147 0.000 2.096 340 R HA 0.089 4.427 4.340 -0.003 0.000 0.235 340 R C 1.729 178.129 176.300 0.166 0.000 1.127 340 R CA 1.117 57.300 56.100 0.139 0.000 0.968 340 R CB -0.158 30.210 30.300 0.113 0.000 0.861 340 R HN 0.017 nan 8.270 nan 0.000 0.440 341 R N 0.450 121.082 120.500 0.220 0.000 2.081 341 R HA -0.076 4.262 4.340 -0.003 0.000 0.235 341 R C 1.996 178.458 176.300 0.270 0.000 1.131 341 R CA 1.082 57.369 56.100 0.312 0.000 0.960 341 R CB -1.211 29.311 30.300 0.369 0.000 0.856 341 R HN 0.301 nan 8.270 nan 0.000 0.436 342 L N 1.566 122.946 121.223 0.263 0.000 2.056 342 L HA -0.129 4.209 4.340 -0.003 0.000 0.207 342 L C 1.421 178.184 176.870 -0.179 0.000 1.078 342 L CA 1.943 56.756 54.840 -0.046 0.000 0.749 342 L CB -0.630 41.541 42.059 0.187 0.000 0.901 342 L HN 0.167 nan 8.230 nan 0.000 0.433 343 E N -0.540 119.656 120.200 -0.007 0.000 2.106 343 E HA -0.217 4.131 4.350 -0.003 0.000 0.192 343 E C 2.174 178.721 176.600 -0.088 0.000 0.984 343 E CA 1.111 57.495 56.400 -0.026 0.000 0.806 343 E CB -0.026 29.718 29.700 0.072 0.000 0.750 343 E HN 0.612 nan 8.360 nan 0.000 0.458 344 Q N 0.032 119.778 119.800 -0.090 0.000 2.123 344 Q HA -0.074 4.264 4.340 -0.003 0.000 0.199 344 Q C 2.237 177.959 176.000 -0.464 0.000 0.966 344 Q CA 1.068 56.780 55.803 -0.152 0.000 0.845 344 Q CB -0.057 28.681 28.738 0.001 0.000 0.907 344 Q HN 0.235 nan 8.270 nan 0.000 0.439 345 A N 0.844 123.268 122.820 -0.660 0.000 1.933 345 A HA -0.147 4.172 4.320 -0.003 0.000 0.218 345 A C 2.037 179.418 177.584 -0.337 0.000 1.175 345 A CA 0.980 52.544 52.037 -0.788 0.000 0.628 345 A CB -0.578 17.975 19.000 -0.746 0.000 0.814 345 A HN 0.268 nan 8.150 nan 0.000 0.444 346 L N -0.856 120.204 121.223 -0.271 0.000 2.027 346 L HA -0.183 4.156 4.340 -0.003 0.000 0.206 346 L C 3.142 179.971 176.870 -0.069 0.000 1.074 346 L CA 1.036 55.790 54.840 -0.143 0.000 0.745 346 L CB -0.569 41.404 42.059 -0.143 0.000 0.898 346 L HN 0.440 nan 8.230 nan 0.000 0.433 347 A N -0.128 122.651 122.820 -0.069 0.000 1.908 347 A HA -0.301 4.017 4.320 -0.003 0.000 0.218 347 A C 2.171 179.793 177.584 0.064 0.000 1.181 347 A CA 1.860 53.885 52.037 -0.020 0.000 0.627 347 A CB -0.906 18.082 19.000 -0.020 0.000 0.818 347 A HN 0.417 nan 8.150 nan 0.000 0.445 348 F N 1.199 121.125 119.950 -0.041 0.000 2.102 348 F HA -0.145 4.381 4.527 -0.003 0.000 0.298 348 F C 2.520 178.418 175.800 0.163 0.000 1.105 348 F CA 2.338 60.400 58.000 0.104 0.000 1.239 348 F CB -0.745 38.258 39.000 0.005 0.000 0.991 348 F HN 0.202 nan 8.300 nan 0.000 0.474 349 T N 1.401 116.060 114.554 0.175 0.000 2.746 349 T HA -0.163 4.185 4.350 -0.003 0.000 0.267 349 T C 2.054 176.715 174.700 -0.065 0.000 1.039 349 T CA 1.741 63.926 62.100 0.141 0.000 1.142 349 T CB -0.475 68.505 68.868 0.185 0.000 0.866 349 T HN 0.242 nan 8.240 nan 0.000 0.444 350 L N 1.199 122.389 121.223 -0.056 0.000 2.478 350 L HA 0.035 4.373 4.340 -0.003 0.000 0.223 350 L C 2.406 179.213 176.870 -0.105 0.000 1.140 350 L CA 1.064 55.851 54.840 -0.088 0.000 0.842 350 L CB -0.513 41.500 42.059 -0.077 0.000 0.953 350 L HN 0.411 nan 8.230 nan 0.000 0.452 351 T N -6.020 108.480 114.554 -0.090 0.000 3.044 351 T HA 0.209 4.557 4.350 -0.003 0.000 0.260 351 T C 0.818 175.487 174.700 -0.053 0.000 1.019 351 T CA -0.279 61.787 62.100 -0.057 0.000 0.921 351 T CB 0.398 69.264 68.868 -0.004 0.000 1.053 351 T HN -0.027 nan 8.240 nan 0.000 0.533 352 S N 2.176 117.756 115.700 -0.200 0.000 2.713 352 S HA 0.585 5.053 4.470 -0.003 0.000 0.277 352 S C 0.368 174.844 174.600 -0.206 0.000 1.168 352 S CA -1.015 57.018 58.200 -0.279 0.000 0.994 352 S CB 0.745 63.660 63.200 -0.477 0.000 1.054 352 S HN 0.599 nan 8.310 nan 0.000 0.555 353 R N 0.596 121.001 120.500 -0.159 0.000 2.594 353 R HA 0.617 4.956 4.340 -0.003 0.000 0.272 353 R C 0.382 176.558 176.300 -0.207 0.000 1.074 353 R CA 0.366 56.392 56.100 -0.122 0.000 1.105 353 R CB -0.942 29.343 30.300 -0.025 0.000 1.008 353 R HN 0.924 nan 8.270 nan 0.000 0.472 354 G N 0.150 108.853 108.800 -0.162 0.000 2.422 354 G HA2 -0.109 3.849 3.960 -0.003 0.000 0.607 354 G HA3 -0.109 3.849 3.960 -0.003 0.000 0.607 354 G C -1.576 173.203 174.900 -0.202 0.000 1.270 354 G CA -0.393 44.597 45.100 -0.183 0.000 0.992 354 G HN 0.574 nan 8.290 nan 0.000 0.499 355 V N 3.028 122.822 119.914 -0.201 0.000 2.294 355 V HA 0.476 4.594 4.120 -0.003 0.000 0.272 355 V C -1.654 174.338 176.094 -0.171 0.000 1.027 355 V CA -0.958 61.220 62.300 -0.203 0.000 0.823 355 V CB 1.319 32.991 31.823 -0.252 0.000 1.030 355 V HN 0.667 nan 8.190 nan 0.000 0.457 356 P HA 0.303 nan 4.420 nan 0.000 0.271 356 P C -0.608 176.707 177.300 0.026 0.000 1.220 356 P CA 0.146 63.198 63.100 -0.079 0.000 0.768 356 P CB 1.452 33.097 31.700 -0.092 0.000 0.848 357 A N 4.669 127.560 122.820 0.117 0.000 2.371 357 A HA 0.694 5.012 4.320 -0.003 0.000 0.311 357 A C -0.425 177.289 177.584 0.217 0.000 1.068 357 A CA -0.871 51.298 52.037 0.220 0.000 0.744 357 A CB 0.851 20.062 19.000 0.351 0.000 1.239 357 A HN 0.468 nan 8.150 nan 0.000 0.435 358 I N 2.488 123.173 120.570 0.191 0.000 2.362 358 I HA 0.209 4.377 4.170 -0.003 0.000 0.289 358 I C -0.768 175.399 176.117 0.084 0.000 0.994 358 I CA -0.739 60.654 61.300 0.154 0.000 1.158 358 I CB 1.315 39.420 38.000 0.175 0.000 1.315 358 I HN 0.698 nan 8.210 nan 0.000 0.451 359 Y N 8.324 128.591 120.300 -0.054 0.000 2.526 359 Y HA 0.048 4.596 4.550 -0.003 0.000 0.330 359 Y C 0.068 175.820 175.900 -0.245 0.000 1.156 359 Y CA -1.146 56.871 58.100 -0.138 0.000 1.419 359 Y CB 0.111 38.529 38.460 -0.070 0.000 1.250 359 Y HN 0.462 nan 8.280 nan 0.000 0.540 360 Y N 3.661 123.625 120.300 -0.560 0.000 2.811 360 Y HA 0.324 4.873 4.550 -0.003 0.000 0.334 360 Y C 1.078 176.829 175.900 -0.249 0.000 1.247 360 Y CA -0.299 57.496 58.100 -0.507 0.000 1.526 360 Y CB -0.015 38.274 38.460 -0.284 0.000 1.284 360 Y HN 0.897 nan 8.280 nan 0.000 0.586 361 G N 2.103 110.907 108.800 0.006 0.000 2.195 361 G HA2 -0.351 3.607 3.960 -0.003 0.000 0.246 361 G HA3 -0.351 3.607 3.960 -0.003 0.000 0.246 361 G C 0.829 175.662 174.900 -0.113 0.000 0.984 361 G CA 0.373 45.411 45.100 -0.103 0.000 0.633 361 G HN 0.839 nan 8.290 nan 0.000 0.525 362 T N 1.616 116.106 114.554 -0.107 0.000 2.746 362 T HA -0.090 4.258 4.350 -0.003 0.000 0.267 362 T C 2.201 176.779 174.700 -0.203 0.000 1.039 362 T CA 1.881 63.909 62.100 -0.119 0.000 1.142 362 T CB -0.245 68.582 68.868 -0.067 0.000 0.866 362 T HN 0.774 nan 8.240 nan 0.000 0.444 363 E N 1.125 121.285 120.200 -0.067 0.000 2.333 363 E HA -0.167 4.182 4.350 -0.003 0.000 0.198 363 E C 1.355 177.903 176.600 -0.086 0.000 1.007 363 E CA 0.955 57.309 56.400 -0.078 0.000 0.845 363 E CB -0.160 29.624 29.700 0.141 0.000 0.766 363 E HN 0.407 nan 8.360 nan 0.000 0.507 364 Q N -0.400 119.389 119.800 -0.018 0.000 2.247 364 Q HA 0.074 4.412 4.340 -0.003 0.000 0.204 364 Q C -0.355 175.755 176.000 0.184 0.000 0.872 364 Q CA -0.292 55.569 55.803 0.095 0.000 0.951 364 Q CB -0.166 28.607 28.738 0.059 0.000 1.099 364 Q HN 0.372 nan 8.270 nan 0.000 0.501 365 Y N -0.916 119.410 120.300 0.043 0.000 4.177 365 Y HA -0.267 4.281 4.550 -0.003 0.000 0.227 365 Y C 0.335 176.243 175.900 0.012 0.000 1.154 365 Y CA -0.145 57.977 58.100 0.037 0.000 1.887 365 Y CB -2.299 36.188 38.460 0.045 0.000 1.594 365 Y HN 0.187 nan 8.280 nan 0.000 0.668 366 L N 1.665 122.916 121.223 0.046 0.000 2.615 366 L HA -0.007 4.332 4.340 -0.003 0.000 0.284 366 L C 1.225 178.103 176.870 0.014 0.000 1.237 366 L CA 1.290 56.120 54.840 -0.016 0.000 0.905 366 L CB 0.468 42.434 42.059 -0.155 0.000 1.149 366 L HN 0.456 nan 8.230 nan 0.000 0.499 367 T N 0.510 115.079 114.554 0.025 0.000 2.893 367 T HA 0.833 5.181 4.350 -0.003 0.000 0.279 367 T C 0.097 174.809 174.700 0.021 0.000 0.991 367 T CA -0.221 61.905 62.100 0.042 0.000 0.950 367 T CB 1.890 70.786 68.868 0.047 0.000 1.223 367 T HN 0.959 nan 8.240 nan 0.000 0.585 368 G N 0.545 109.366 108.800 0.035 0.000 2.693 368 G HA2 0.104 4.062 3.960 -0.003 0.000 0.290 368 G HA3 0.104 4.062 3.960 -0.003 0.000 0.290 368 G C -1.366 173.563 174.900 0.049 0.000 1.378 368 G CA -1.163 43.956 45.100 0.032 0.000 1.120 368 G HN 0.907 nan 8.290 nan 0.000 0.609 369 N N 1.204 119.928 118.700 0.041 0.000 2.419 369 N HA 0.660 5.399 4.740 -0.003 0.000 0.277 369 N C 0.709 176.245 175.510 0.043 0.000 1.006 369 N CA 0.349 53.425 53.050 0.044 0.000 0.923 369 N CB 1.776 40.282 38.487 0.032 0.000 1.140 369 N HN 1.669 nan 8.380 nan 0.000 0.488 370 G N 1.730 110.561 108.800 0.051 0.000 2.828 370 G HA2 -0.240 3.718 3.960 -0.003 0.000 0.463 370 G HA3 -0.240 3.718 3.960 -0.003 0.000 0.463 370 G C -1.032 173.900 174.900 0.053 0.000 1.394 370 G CA -0.754 44.372 45.100 0.043 0.000 0.862 370 G HN 0.614 nan 8.290 nan 0.000 0.540 371 D N 0.699 121.127 120.400 0.047 0.000 2.295 371 D HA 0.535 5.173 4.640 -0.003 0.000 0.248 371 D C -0.404 175.943 176.300 0.078 0.000 1.154 371 D CA -1.493 52.552 54.000 0.075 0.000 0.857 371 D CB 1.286 42.119 40.800 0.055 0.000 1.117 371 D HN 0.229 nan 8.370 nan 0.000 0.468 372 P HA 0.194 nan 4.420 nan 0.000 0.274 372 P C 0.283 177.623 177.300 0.065 0.000 1.352 372 P CA -0.188 62.985 63.100 0.121 0.000 0.947 372 P CB 0.794 32.578 31.700 0.139 0.000 1.437 373 D N 1.861 122.290 120.400 0.048 0.000 2.221 373 D HA -0.130 4.508 4.640 -0.003 0.000 0.204 373 D C 1.185 177.505 176.300 0.034 0.000 0.982 373 D CA 1.100 55.119 54.000 0.031 0.000 0.857 373 D CB -0.128 40.688 40.800 0.027 0.000 0.934 373 D HN 0.354 nan 8.370 nan 0.000 0.475 374 N N 0.338 119.074 118.700 0.060 0.000 2.521 374 N HA -0.086 4.652 4.740 -0.003 0.000 0.188 374 N C 0.537 176.096 175.510 0.082 0.000 1.146 374 N CA 0.220 53.323 53.050 0.088 0.000 0.893 374 N CB -0.154 38.419 38.487 0.143 0.000 0.975 374 N HN 0.001 nan 8.380 nan 0.000 0.451 375 R N 0.046 120.572 120.500 0.042 0.000 2.767 375 R HA 0.442 4.781 4.340 -0.003 0.000 0.377 375 R C -0.232 176.110 176.300 0.071 0.000 1.151 375 R CA -0.250 55.861 56.100 0.017 0.000 1.046 375 R CB 0.692 30.957 30.300 -0.059 0.000 1.404 375 R HN 0.212 nan 8.270 nan 0.000 0.580 376 A N 0.913 123.757 122.820 0.040 0.000 2.406 376 A HA 0.137 4.455 4.320 -0.003 0.000 0.243 376 A C 0.053 177.716 177.584 0.132 0.000 1.082 376 A CA -0.170 51.891 52.037 0.040 0.000 0.786 376 A CB 0.312 19.307 19.000 -0.008 0.000 1.029 376 A HN 0.322 nan 8.150 nan 0.000 0.495 377 K N 0.333 120.785 120.400 0.087 0.000 2.355 377 K HA 0.173 4.491 4.320 -0.003 0.000 0.270 377 K C 0.108 176.774 176.600 0.110 0.000 1.003 377 K CA -0.331 56.022 56.287 0.109 0.000 0.957 377 K CB 0.255 32.778 32.500 0.038 0.000 0.939 377 K HN 0.645 nan 8.250 nan 0.000 0.482 378 M N 7.456 127.130 119.600 0.123 0.000 2.364 378 M HA 0.074 4.552 4.480 -0.003 0.000 0.342 378 M C -1.866 174.293 176.300 -0.234 0.000 1.601 378 M CA -1.579 53.709 55.300 -0.021 0.000 1.156 378 M CB 0.837 33.322 32.600 -0.192 0.000 1.912 378 M HN 0.447 nan 8.290 nan 0.000 0.460 379 P HA 0.045 nan 4.420 nan 0.000 0.231 379 P C -0.330 176.793 177.300 -0.295 0.000 1.168 379 P CA 0.503 63.486 63.100 -0.194 0.000 0.779 379 P CB 0.381 32.018 31.700 -0.104 0.000 0.844 380 S N -1.623 113.758 115.700 -0.531 0.000 2.587 380 S HA 0.526 4.994 4.470 -0.003 0.000 0.269 380 S C -1.493 172.537 174.600 -0.949 0.000 1.154 380 S CA -0.614 57.267 58.200 -0.532 0.000 0.824 380 S CB 0.069 63.147 63.200 -0.203 0.000 1.118 380 S HN -0.170 nan 8.310 nan 0.000 0.462 381 F N 1.840 121.704 119.950 -0.144 0.000 2.814 381 F HA 0.420 4.945 4.527 -0.003 0.000 0.326 381 F C 0.982 176.800 175.800 0.030 0.000 1.159 381 F CA -0.382 57.488 58.000 -0.217 0.000 1.234 381 F CB 0.817 39.549 39.000 -0.446 0.000 1.016 381 F HN 0.492 nan 8.300 nan 0.000 0.510 382 S N 1.259 116.995 115.700 0.059 0.000 2.549 382 S HA 0.150 4.618 4.470 -0.003 0.000 0.283 382 S C 0.886 175.313 174.600 -0.288 0.000 1.320 382 S CA -0.210 57.959 58.200 -0.052 0.000 1.058 382 S CB 0.560 63.730 63.200 -0.051 0.000 0.882 382 S HN 0.435 nan 8.310 nan 0.000 0.498 383 K N 3.269 123.328 120.400 -0.568 0.000 2.576 383 K HA 0.207 4.526 4.320 -0.003 0.000 0.209 383 K C 0.622 176.737 176.600 -0.808 0.000 1.049 383 K CA -0.145 55.237 56.287 -1.508 0.000 1.140 383 K CB 0.443 32.375 32.500 -0.948 0.000 0.871 383 K HN 0.472 nan 8.250 nan 0.000 0.479 384 S N 0.571 116.046 115.700 -0.375 0.000 2.497 384 S HA -0.038 4.431 4.470 -0.003 0.000 0.221 384 S C 1.004 175.610 174.600 0.010 0.000 1.037 384 S CA -0.021 58.103 58.200 -0.127 0.000 0.920 384 S CB 0.315 63.473 63.200 -0.071 0.000 0.800 384 S HN 0.529 nan 8.310 nan 0.000 0.505 385 T N 1.188 115.789 114.554 0.077 0.000 2.906 385 T HA 0.064 4.412 4.350 -0.003 0.000 0.320 385 T C 1.251 176.098 174.700 0.245 0.000 1.088 385 T CA 0.237 62.472 62.100 0.225 0.000 1.120 385 T CB 0.477 69.565 68.868 0.367 0.000 1.000 385 T HN 0.076 nan 8.240 nan 0.000 0.550 386 T N 2.148 116.854 114.554 0.254 0.000 2.777 386 T HA -0.019 4.330 4.350 -0.003 0.000 0.266 386 T C 2.468 177.276 174.700 0.179 0.000 1.040 386 T CA 1.186 63.404 62.100 0.196 0.000 1.141 386 T CB -0.825 68.149 68.868 0.176 0.000 0.868 386 T HN 0.830 nan 8.240 nan 0.000 0.444 387 A N 1.396 124.332 122.820 0.192 0.000 1.892 387 A HA -0.144 4.174 4.320 -0.003 0.000 0.218 387 A C 2.014 179.609 177.584 0.019 0.000 1.188 387 A CA 1.744 53.773 52.037 -0.014 0.000 0.631 387 A CB -1.171 17.587 19.000 -0.404 0.000 0.822 387 A HN 0.479 nan 8.150 nan 0.000 0.447 388 F N 1.197 121.124 119.950 -0.038 0.000 2.126 388 F HA -0.210 4.316 4.527 -0.003 0.000 0.299 388 F C 2.226 178.007 175.800 -0.032 0.000 1.096 388 F CA 2.010 59.991 58.000 -0.033 0.000 1.255 388 F CB -0.199 38.797 39.000 -0.005 0.000 0.997 388 F HN 0.334 nan 8.300 nan 0.000 0.479 389 N N 0.508 119.357 118.700 0.249 0.000 2.142 389 N HA -0.148 4.590 4.740 -0.003 0.000 0.186 389 N C 1.917 177.441 175.510 0.024 0.000 1.023 389 N CA 1.766 54.909 53.050 0.155 0.000 0.852 389 N CB -0.265 38.308 38.487 0.143 0.000 0.998 389 N HN 0.248 nan 8.380 nan 0.000 0.424 390 V N 1.993 121.910 119.914 0.006 0.000 2.332 390 V HA -0.224 3.895 4.120 -0.003 0.000 0.248 390 V C 2.425 178.472 176.094 -0.078 0.000 1.055 390 V CA 1.390 63.670 62.300 -0.034 0.000 1.038 390 V CB -0.438 31.366 31.823 -0.032 0.000 0.651 390 V HN 0.279 nan 8.190 nan 0.000 0.450 391 I N 1.184 121.682 120.570 -0.121 0.000 2.315 391 I HA -0.191 3.977 4.170 -0.003 0.000 0.248 391 I C 2.567 178.574 176.117 -0.184 0.000 1.117 391 I CA 1.749 62.950 61.300 -0.164 0.000 1.404 391 I CB -0.535 37.329 38.000 -0.225 0.000 1.071 391 I HN 0.464 nan 8.210 nan 0.000 0.419 392 S N 0.376 115.950 115.700 -0.211 0.000 2.453 392 S HA -0.031 4.438 4.470 -0.003 0.000 0.231 392 S C 1.864 176.408 174.600 -0.094 0.000 1.005 392 S CA 0.452 58.551 58.200 -0.168 0.000 0.949 392 S CB -0.127 62.993 63.200 -0.133 0.000 0.774 392 S HN 0.339 nan 8.310 nan 0.000 0.510 393 K N 1.263 121.617 120.400 -0.076 0.000 2.128 393 K HA 0.300 4.618 4.320 -0.003 0.000 0.202 393 K C 2.060 178.614 176.600 -0.077 0.000 1.050 393 K CA 0.582 56.833 56.287 -0.060 0.000 0.966 393 K CB -0.455 32.016 32.500 -0.047 0.000 0.759 393 K HN 0.403 nan 8.250 nan 0.000 0.454 394 L N 0.553 121.723 121.223 -0.088 0.000 2.102 394 L HA 0.028 4.366 4.340 -0.003 0.000 0.202 394 L C 2.624 179.432 176.870 -0.103 0.000 1.076 394 L CA 0.812 55.595 54.840 -0.095 0.000 0.761 394 L CB -0.790 41.213 42.059 -0.093 0.000 0.921 394 L HN 0.024 nan 8.230 nan 0.000 0.444 395 A N 1.159 123.913 122.820 -0.109 0.000 1.909 395 A HA -0.220 4.099 4.320 -0.003 0.000 0.221 395 A C 0.007 177.521 177.584 -0.118 0.000 1.223 395 A CA 2.422 54.391 52.037 -0.114 0.000 0.658 395 A CB -2.076 16.853 19.000 -0.118 0.000 0.831 395 A HN 0.291 nan 8.150 nan 0.000 0.462 396 P HA -0.101 nan 4.420 nan 0.000 0.219 396 P C 1.268 178.499 177.300 -0.115 0.000 1.146 396 P CA 0.645 63.682 63.100 -0.105 0.000 0.808 396 P CB -0.062 31.587 31.700 -0.085 0.000 0.779 397 L N -0.710 120.445 121.223 -0.113 0.000 2.187 397 L HA -0.144 4.194 4.340 -0.003 0.000 0.213 397 L C 2.324 179.101 176.870 -0.154 0.000 1.100 397 L CA 1.712 56.480 54.840 -0.119 0.000 0.765 397 L CB -0.745 41.249 42.059 -0.108 0.000 0.904 397 L HN -0.083 nan 8.230 nan 0.000 0.437 398 R N -1.001 119.395 120.500 -0.175 0.000 2.148 398 R HA -0.104 4.234 4.340 -0.003 0.000 0.227 398 R C 1.956 178.097 176.300 -0.265 0.000 1.103 398 R CA 0.694 56.655 56.100 -0.233 0.000 0.983 398 R CB -0.127 30.037 30.300 -0.227 0.000 0.874 398 R HN 0.305 nan 8.270 nan 0.000 0.451 399 K N 0.147 120.423 120.400 -0.207 0.000 2.099 399 K HA 0.004 4.322 4.320 -0.003 0.000 0.203 399 K C 2.239 178.738 176.600 -0.168 0.000 1.047 399 K CA 1.527 57.698 56.287 -0.193 0.000 0.963 399 K CB -0.117 32.291 32.500 -0.153 0.000 0.759 399 K HN 0.144 nan 8.250 nan 0.000 0.451 400 S N 0.369 115.985 115.700 -0.139 0.000 2.406 400 S HA -0.050 4.418 4.470 -0.003 0.000 0.224 400 S C 0.945 175.475 174.600 -0.116 0.000 1.030 400 S CA 0.206 58.338 58.200 -0.113 0.000 0.958 400 S CB -0.296 62.850 63.200 -0.089 0.000 0.811 400 S HN 0.252 nan 8.310 nan 0.000 0.489 401 N N 2.634 121.255 118.700 -0.132 0.000 2.501 401 N HA 0.304 5.043 4.740 -0.003 0.000 0.245 401 N C -2.133 173.275 175.510 -0.171 0.000 0.974 401 N CA -2.161 50.817 53.050 -0.120 0.000 0.941 401 N CB 1.731 40.161 38.487 -0.095 0.000 1.122 401 N HN 0.079 nan 8.380 nan 0.000 0.507 402 P HA -0.098 nan 4.420 nan 0.000 0.228 402 P C 0.795 177.919 177.300 -0.293 0.000 1.151 402 P CA 0.646 63.578 63.100 -0.280 0.000 0.770 402 P CB 0.287 31.896 31.700 -0.151 0.000 0.786 403 A N 0.100 122.870 122.820 -0.083 0.000 2.014 403 A HA -0.086 4.233 4.320 -0.003 0.000 0.218 403 A C 2.216 179.767 177.584 -0.055 0.000 1.163 403 A CA 0.930 52.982 52.037 0.024 0.000 0.652 403 A CB -1.002 18.051 19.000 0.089 0.000 0.808 403 A HN 0.048 nan 8.150 nan 0.000 0.449 404 I N -0.316 120.175 120.570 -0.132 0.000 2.277 404 I HA -0.154 4.014 4.170 -0.003 0.000 0.243 404 I C 2.906 178.883 176.117 -0.235 0.000 1.094 404 I CA 1.447 62.659 61.300 -0.148 0.000 1.393 404 I CB -1.497 36.407 38.000 -0.160 0.000 1.078 404 I HN 0.347 nan 8.210 nan 0.000 0.417 405 A N -0.002 122.575 122.820 -0.406 0.000 1.898 405 A HA -0.174 4.144 4.320 -0.003 0.000 0.216 405 A C 1.765 178.988 177.584 -0.602 0.000 1.181 405 A CA 1.600 53.252 52.037 -0.641 0.000 0.620 405 A CB -0.531 17.834 19.000 -1.059 0.000 0.819 405 A HN 0.468 nan 8.150 nan 0.000 0.442 406 Y N -1.054 119.076 120.300 -0.284 0.000 2.432 406 Y HA 0.351 4.899 4.550 -0.003 0.000 0.252 406 Y C 1.650 177.521 175.900 -0.049 0.000 1.097 406 Y CA -0.865 57.092 58.100 -0.239 0.000 1.250 406 Y CB -0.686 37.407 38.460 -0.611 0.000 1.245 406 Y HN 0.241 nan 8.280 nan 0.000 0.522 407 G N 0.897 109.759 108.800 0.105 0.000 2.684 407 G HA2 0.338 4.296 3.960 -0.003 0.000 0.255 407 G HA3 0.338 4.296 3.960 -0.003 0.000 0.255 407 G C 0.251 175.259 174.900 0.181 0.000 1.219 407 G CA -0.040 45.191 45.100 0.219 0.000 0.901 407 G HN 0.238 nan 8.290 nan 0.000 0.548 408 S N -1.346 114.467 115.700 0.188 0.000 2.693 408 S HA 0.689 5.158 4.470 -0.003 0.000 0.276 408 S C -0.140 174.542 174.600 0.137 0.000 1.192 408 S CA -0.570 57.720 58.200 0.149 0.000 0.994 408 S CB 1.737 65.021 63.200 0.140 0.000 1.012 408 S HN 0.580 nan 8.310 nan 0.000 0.550 409 T N 1.619 116.251 114.554 0.131 0.000 2.824 409 T HA 0.558 4.906 4.350 -0.003 0.000 0.282 409 T C -0.955 173.839 174.700 0.156 0.000 0.993 409 T CA -0.554 61.634 62.100 0.147 0.000 0.967 409 T CB 1.328 70.268 68.868 0.120 0.000 0.960 409 T HN 0.696 nan 8.240 nan 0.000 0.441 410 Q N 2.058 121.964 119.800 0.176 0.000 2.289 410 Q HA 0.274 4.613 4.340 -0.003 0.000 0.270 410 Q C -1.148 174.971 176.000 0.198 0.000 1.038 410 Q CA -0.743 55.161 55.803 0.169 0.000 0.812 410 Q CB 1.944 30.763 28.738 0.135 0.000 1.300 410 Q HN 0.593 nan 8.270 nan 0.000 0.427 411 Q N 3.022 122.955 119.800 0.222 0.000 2.313 411 Q HA 0.080 4.419 4.340 -0.003 0.000 0.266 411 Q C -0.245 175.881 176.000 0.210 0.000 0.989 411 Q CA 0.395 56.356 55.803 0.264 0.000 0.890 411 Q CB 0.684 29.612 28.738 0.316 0.000 1.200 411 Q HN 0.655 nan 8.270 nan 0.000 0.396 412 R N 3.191 123.823 120.500 0.221 0.000 2.344 412 R HA 0.176 4.514 4.340 -0.003 0.000 0.209 412 R C -0.388 176.120 176.300 0.347 0.000 0.886 412 R CA 0.264 56.502 56.100 0.229 0.000 1.040 412 R CB 0.597 31.013 30.300 0.194 0.000 1.114 412 R HN 0.690 nan 8.270 nan 0.000 0.547 413 W N -0.192 121.183 121.300 0.126 0.000 3.700 413 W HA 0.555 5.213 4.660 -0.003 0.000 0.279 413 W C -1.771 174.839 176.519 0.151 0.000 1.270 413 W CA -0.651 56.762 57.345 0.113 0.000 1.216 413 W CB 1.101 30.614 29.460 0.088 0.000 1.292 413 W HN -0.137 nan 8.180 nan 0.000 0.557 414 I N 4.813 125.376 120.570 -0.012 0.000 2.961 414 I HA 0.525 4.693 4.170 -0.003 0.000 0.303 414 I C -1.670 174.261 176.117 -0.310 0.000 1.505 414 I CA -0.550 60.748 61.300 -0.003 0.000 0.964 414 I CB 1.781 39.743 38.000 -0.064 0.000 1.348 414 I HN 0.661 nan 8.210 nan 0.000 0.508 415 N N 2.400 120.947 118.700 -0.255 0.000 3.387 415 N HA 0.195 4.933 4.740 -0.003 0.000 0.294 415 N C -0.222 175.174 175.510 -0.189 0.000 1.519 415 N CA -0.214 52.726 53.050 -0.183 0.000 0.875 415 N CB -0.122 38.343 38.487 -0.038 0.000 1.657 415 N HN 0.583 nan 8.380 nan 0.000 0.527 416 N N -0.584 118.142 118.700 0.044 0.000 2.091 416 N HA -0.223 4.515 4.740 -0.003 0.000 0.193 416 N C -0.400 175.080 175.510 -0.050 0.000 1.021 416 N CA 1.945 55.019 53.050 0.040 0.000 0.862 416 N CB -0.322 38.213 38.487 0.079 0.000 1.018 416 N HN 0.569 nan 8.380 nan 0.000 0.429 417 D N -0.020 120.374 120.400 -0.009 0.000 2.423 417 D HA 0.208 4.847 4.640 -0.003 0.000 0.212 417 D C 0.166 176.491 176.300 0.041 0.000 1.060 417 D CA -0.004 53.991 54.000 -0.008 0.000 0.872 417 D CB 0.940 41.755 40.800 0.025 0.000 1.012 417 D HN 0.047 nan 8.370 nan 0.000 0.503 418 V N 1.149 121.131 119.914 0.113 0.000 2.612 418 V HA 0.325 4.443 4.120 -0.003 0.000 0.301 418 V C -0.999 175.282 176.094 0.312 0.000 1.046 418 V CA -0.699 61.740 62.300 0.232 0.000 0.946 418 V CB 2.020 34.053 31.823 0.351 0.000 1.003 418 V HN 0.017 nan 8.190 nan 0.000 0.459 419 Y N 3.265 123.679 120.300 0.190 0.000 2.362 419 Y HA 0.659 5.207 4.550 -0.003 0.000 0.326 419 Y C -1.058 175.036 175.900 0.323 0.000 1.083 419 Y CA -1.361 56.874 58.100 0.226 0.000 1.073 419 Y CB 2.040 40.615 38.460 0.191 0.000 1.211 419 Y HN 0.319 nan 8.280 nan 0.000 0.433 420 V N 8.616 128.666 119.914 0.227 0.000 2.409 420 V HA 0.380 4.498 4.120 -0.003 0.000 0.290 420 V C -1.072 174.987 176.094 -0.059 0.000 1.017 420 V CA -0.767 61.570 62.300 0.062 0.000 0.841 420 V CB 0.685 32.644 31.823 0.227 0.000 1.003 420 V HN 0.614 nan 8.190 nan 0.000 0.426 421 Y N 1.597 121.721 120.300 -0.295 0.000 2.587 421 Y HA 0.880 5.428 4.550 -0.003 0.000 0.337 421 Y C -0.238 175.628 175.900 -0.056 0.000 1.065 421 Y CA -1.488 56.475 58.100 -0.229 0.000 1.126 421 Y CB 1.460 39.689 38.460 -0.385 0.000 1.279 421 Y HN 0.577 nan 8.280 nan 0.000 0.489 422 E N 1.608 121.899 120.200 0.151 0.000 2.272 422 E HA 0.474 4.823 4.350 -0.003 0.000 0.269 422 E C -1.323 175.364 176.600 0.146 0.000 0.877 422 E CA -1.160 55.295 56.400 0.091 0.000 0.755 422 E CB 1.216 30.967 29.700 0.084 0.000 1.192 422 E HN 0.638 nan 8.360 nan 0.000 0.422 423 R N 3.216 123.781 120.500 0.108 0.000 2.514 423 R HA 0.495 4.833 4.340 -0.003 0.000 0.301 423 R C -0.701 175.668 176.300 0.114 0.000 0.962 423 R CA -0.656 55.515 56.100 0.118 0.000 0.882 423 R CB 1.664 32.018 30.300 0.090 0.000 1.143 423 R HN 0.537 nan 8.270 nan 0.000 0.452 424 K N 1.827 122.316 120.400 0.148 0.000 2.508 424 K HA 0.555 4.873 4.320 -0.003 0.000 0.260 424 K C -1.823 174.942 176.600 0.275 0.000 0.949 424 K CA -0.672 55.719 56.287 0.172 0.000 0.834 424 K CB 1.874 34.453 32.500 0.132 0.000 1.365 424 K HN 0.434 nan 8.250 nan 0.000 0.437 425 F N 2.857 122.849 119.950 0.070 0.000 3.102 425 F HA 0.361 4.886 4.527 -0.003 0.000 0.359 425 F C -0.048 175.786 175.800 0.056 0.000 1.243 425 F CA 0.762 58.807 58.000 0.076 0.000 1.215 425 F CB 0.896 39.959 39.000 0.105 0.000 1.549 425 F HN 0.835 nan 8.300 nan 0.000 0.657 426 G N 5.536 114.163 108.800 -0.288 0.000 2.556 426 G HA2 -0.345 3.613 3.960 -0.003 0.000 0.283 426 G HA3 -0.345 3.613 3.960 -0.003 0.000 0.283 426 G C 0.576 175.469 174.900 -0.011 0.000 1.177 426 G CA 0.365 45.340 45.100 -0.208 0.000 0.978 426 G HN 0.747 nan 8.290 nan 0.000 0.554 427 K N 0.567 120.991 120.400 0.039 0.000 2.400 427 K HA 0.318 4.636 4.320 -0.003 0.000 0.194 427 K C 1.128 177.837 176.600 0.181 0.000 1.033 427 K CA 0.554 56.916 56.287 0.126 0.000 1.021 427 K CB 0.222 32.810 32.500 0.147 0.000 0.808 427 K HN 0.261 nan 8.250 nan 0.000 0.505 428 S N 1.169 116.931 115.700 0.104 0.000 2.549 428 S HA 0.244 4.712 4.470 -0.003 0.000 0.279 428 S C -0.198 174.487 174.600 0.142 0.000 1.321 428 S CA -0.485 57.754 58.200 0.066 0.000 1.054 428 S CB 1.103 64.338 63.200 0.058 0.000 0.899 428 S HN -0.092 nan 8.310 nan 0.000 0.497 429 V N 1.204 121.203 119.914 0.141 0.000 3.078 429 V HA 0.936 5.054 4.120 -0.003 0.000 0.311 429 V C -0.559 175.572 176.094 0.062 0.000 1.138 429 V CA -0.935 61.435 62.300 0.118 0.000 1.007 429 V CB 2.063 33.963 31.823 0.129 0.000 1.045 429 V HN 0.939 nan 8.190 nan 0.000 0.432 430 A N 1.916 124.754 122.820 0.029 0.000 2.465 430 A HA 0.843 5.161 4.320 -0.003 0.000 0.292 430 A C -1.537 176.023 177.584 -0.040 0.000 1.041 430 A CA -0.449 51.580 52.037 -0.014 0.000 0.718 430 A CB 1.834 20.814 19.000 -0.032 0.000 1.266 430 A HN 0.746 nan 8.150 nan 0.000 0.403 431 V N 2.526 122.411 119.914 -0.048 0.000 2.540 431 V HA 0.639 4.757 4.120 -0.003 0.000 0.302 431 V C -0.431 175.532 176.094 -0.219 0.000 1.035 431 V CA -0.552 61.711 62.300 -0.063 0.000 0.873 431 V CB 1.740 33.632 31.823 0.115 0.000 0.992 431 V HN 0.748 nan 8.190 nan 0.000 0.428 432 V N 3.137 122.743 119.914 -0.513 0.000 2.604 432 V HA 0.892 5.010 4.120 -0.003 0.000 0.305 432 V C 0.081 175.888 176.094 -0.478 0.000 1.043 432 V CA -0.610 61.299 62.300 -0.652 0.000 0.888 432 V CB 1.838 33.087 31.823 -0.958 0.000 0.995 432 V HN 1.004 nan 8.190 nan 0.000 0.429 433 A N 3.995 126.646 122.820 -0.282 0.000 2.330 433 A HA 0.887 5.205 4.320 -0.003 0.000 0.313 433 A C -1.051 176.560 177.584 0.045 0.000 1.124 433 A CA -0.551 51.478 52.037 -0.012 0.000 0.774 433 A CB 1.649 20.770 19.000 0.203 0.000 1.198 433 A HN 0.714 nan 8.150 nan 0.000 0.465 434 V N 2.933 122.956 119.914 0.182 0.000 2.531 434 V HA 0.395 4.513 4.120 -0.003 0.000 0.301 434 V C -0.576 175.654 176.094 0.228 0.000 1.034 434 V CA -0.777 61.668 62.300 0.241 0.000 0.865 434 V CB 1.848 33.921 31.823 0.415 0.000 0.995 434 V HN 0.877 nan 8.190 nan 0.000 0.424 435 N N 3.871 122.678 118.700 0.179 0.000 2.558 435 N HA 0.262 5.000 4.740 -0.003 0.000 0.242 435 N C 1.109 176.704 175.510 0.141 0.000 0.979 435 N CA -0.715 52.420 53.050 0.142 0.000 0.931 435 N CB 1.090 39.642 38.487 0.108 0.000 1.122 435 N HN 0.712 nan 8.380 nan 0.000 0.508 436 R N 2.085 122.658 120.500 0.120 0.000 2.280 436 R HA 0.034 4.372 4.340 -0.003 0.000 0.207 436 R C 0.083 176.431 176.300 0.081 0.000 1.043 436 R CA 0.180 56.347 56.100 0.112 0.000 1.006 436 R CB -0.134 30.162 30.300 -0.006 0.000 0.885 436 R HN 0.282 nan 8.270 nan 0.000 0.467 437 N N 1.780 120.519 118.700 0.065 0.000 2.416 437 N HA -0.019 4.720 4.740 -0.003 0.000 0.265 437 N C 0.540 176.087 175.510 0.062 0.000 1.195 437 N CA 0.053 53.136 53.050 0.054 0.000 0.943 437 N CB 0.899 39.414 38.487 0.047 0.000 1.115 437 N HN 0.269 nan 8.380 nan 0.000 0.481 438 L N 2.527 123.785 121.223 0.059 0.000 2.478 438 L HA -0.072 4.266 4.340 -0.003 0.000 0.223 438 L C 2.016 178.915 176.870 0.048 0.000 1.140 438 L CA 0.577 55.453 54.840 0.060 0.000 0.842 438 L CB -0.135 41.960 42.059 0.059 0.000 0.953 438 L HN 0.570 nan 8.230 nan 0.000 0.452 439 S N -3.348 112.377 115.700 0.041 0.000 2.524 439 S HA 0.069 4.537 4.470 -0.003 0.000 0.222 439 S C 0.817 175.437 174.600 0.034 0.000 1.040 439 S CA 0.031 58.252 58.200 0.035 0.000 0.915 439 S CB 0.408 63.625 63.200 0.029 0.000 0.831 439 S HN 0.248 nan 8.310 nan 0.000 0.492 440 T N 1.993 116.569 114.554 0.037 0.000 2.900 440 T HA 0.635 4.983 4.350 -0.003 0.000 0.295 440 T C -0.416 174.307 174.700 0.039 0.000 1.044 440 T CA -0.148 61.973 62.100 0.035 0.000 0.995 440 T CB 1.820 70.707 68.868 0.032 0.000 1.072 440 T HN 0.447 nan 8.240 nan 0.000 0.473 441 S N 2.590 118.310 115.700 0.033 0.000 2.693 441 S HA 0.862 5.330 4.470 -0.003 0.000 0.276 441 S C -0.033 174.575 174.600 0.014 0.000 1.192 441 S CA -0.670 57.547 58.200 0.028 0.000 0.994 441 S CB 1.177 64.394 63.200 0.027 0.000 1.012 441 S HN 1.274 nan 8.310 nan 0.000 0.550 442 A N 0.919 123.729 122.820 -0.017 0.000 2.371 442 A HA 0.698 5.016 4.320 -0.003 0.000 0.311 442 A C -0.275 177.213 177.584 -0.159 0.000 1.068 442 A CA -0.813 51.194 52.037 -0.051 0.000 0.744 442 A CB 1.334 20.316 19.000 -0.030 0.000 1.239 442 A HN 0.748 nan 8.150 nan 0.000 0.435 443 S N 2.559 118.181 115.700 -0.130 0.000 2.416 443 S HA 0.386 4.854 4.470 -0.003 0.000 0.287 443 S C -0.067 174.340 174.600 -0.323 0.000 1.139 443 S CA -0.310 57.775 58.200 -0.192 0.000 1.058 443 S CB -0.030 63.124 63.200 -0.076 0.000 0.967 443 S HN 0.476 nan 8.310 nan 0.000 0.495 444 I N 4.752 124.938 120.570 -0.641 0.000 2.304 444 I HA 0.317 4.485 4.170 -0.003 0.000 0.291 444 I C 0.746 176.545 176.117 -0.530 0.000 1.018 444 I CA -0.280 60.449 61.300 -0.952 0.000 1.260 444 I CB 0.327 37.383 38.000 -1.574 0.000 1.390 444 I HN 0.576 nan 8.210 nan 0.000 0.475 445 T N 0.467 114.899 114.554 -0.203 0.000 2.907 445 T HA 0.673 5.021 4.350 -0.003 0.000 0.292 445 T C 0.640 175.422 174.700 0.137 0.000 1.043 445 T CA -0.284 61.803 62.100 -0.021 0.000 1.003 445 T CB 2.059 70.952 68.868 0.042 0.000 1.084 445 T HN 0.986 nan 8.240 nan 0.000 0.483 446 G N 0.550 109.418 108.800 0.114 0.000 2.147 446 G HA2 -0.189 3.769 3.960 -0.003 0.000 0.244 446 G HA3 -0.189 3.769 3.960 -0.003 0.000 0.244 446 G C -0.193 174.838 174.900 0.219 0.000 1.005 446 G CA 0.137 45.338 45.100 0.169 0.000 0.713 446 G HN 1.098 nan 8.290 nan 0.000 0.515 447 L N 1.576 122.886 121.223 0.144 0.000 2.319 447 L HA 0.714 5.052 4.340 -0.003 0.000 0.280 447 L C 0.246 177.185 176.870 0.115 0.000 1.099 447 L CA 0.007 54.945 54.840 0.163 0.000 0.828 447 L CB 1.329 43.419 42.059 0.050 0.000 1.150 447 L HN 0.101 nan 8.230 nan 0.000 0.442 448 S N 2.728 118.506 115.700 0.129 0.000 2.503 448 S HA 0.843 5.311 4.470 -0.003 0.000 0.301 448 S C -0.249 174.393 174.600 0.070 0.000 1.087 448 S CA -0.362 57.885 58.200 0.079 0.000 1.042 448 S CB 1.736 64.984 63.200 0.080 0.000 1.043 448 S HN 0.858 nan 8.310 nan 0.000 0.489 449 T N -1.296 113.276 114.554 0.030 0.000 2.654 449 T HA 0.524 4.872 4.350 -0.003 0.000 0.289 449 T C 0.233 174.936 174.700 0.005 0.000 1.062 449 T CA -0.671 61.439 62.100 0.018 0.000 1.041 449 T CB 1.110 69.965 68.868 -0.022 0.000 1.417 449 T HN 0.227 nan 8.240 nan 0.000 0.510 450 S N -0.223 115.478 115.700 0.000 0.000 2.539 450 S HA 0.336 4.804 4.470 -0.003 0.000 0.221 450 S C 0.499 175.080 174.600 -0.033 0.000 0.987 450 S CA -0.478 57.725 58.200 0.005 0.000 0.929 450 S CB -0.522 62.702 63.200 0.040 0.000 0.832 450 S HN 0.476 nan 8.310 nan 0.000 0.492 451 L N 4.522 125.688 121.223 -0.095 0.000 2.562 451 L HA 0.151 4.490 4.340 -0.003 0.000 0.271 451 L C -1.990 174.812 176.870 -0.114 0.000 1.167 451 L CA -1.511 53.213 54.840 -0.194 0.000 0.917 451 L CB -0.091 41.688 42.059 -0.468 0.000 1.187 451 L HN 0.010 nan 8.230 nan 0.000 0.482 452 P HA -0.048 nan 4.420 nan 0.000 0.270 452 P C -0.174 177.104 177.300 -0.036 0.000 1.221 452 P CA -0.261 62.732 63.100 -0.178 0.000 0.788 452 P CB 0.178 31.621 31.700 -0.429 0.000 0.904 453 T N 0.457 114.977 114.554 -0.057 0.000 2.934 453 T HA 0.413 4.761 4.350 -0.003 0.000 0.306 453 T C 0.656 175.298 174.700 -0.098 0.000 1.042 453 T CA 1.209 63.282 62.100 -0.045 0.000 1.145 453 T CB -0.367 68.468 68.868 -0.055 0.000 0.982 453 T HN 0.858 nan 8.240 nan 0.000 0.544 454 G N 1.571 110.291 108.800 -0.134 0.000 2.350 454 G HA2 0.393 4.352 3.960 -0.003 0.000 0.304 454 G HA3 0.393 4.352 3.960 -0.003 0.000 0.304 454 G C -0.790 173.859 174.900 -0.418 0.000 1.421 454 G CA -0.581 44.328 45.100 -0.319 0.000 0.934 454 G HN 0.931 nan 8.290 nan 0.000 0.632 455 S N -0.515 114.918 115.700 -0.446 0.000 2.508 455 S HA 0.803 5.271 4.470 -0.003 0.000 0.284 455 S C -0.840 173.466 174.600 -0.489 0.000 1.192 455 S CA -0.631 57.367 58.200 -0.336 0.000 1.070 455 S CB 1.275 64.359 63.200 -0.193 0.000 1.004 455 S HN 0.637 nan 8.310 nan 0.000 0.493 456 Y N 0.609 120.825 120.300 -0.140 0.000 2.487 456 Y HA 0.550 5.099 4.550 -0.003 0.000 0.337 456 Y C 0.799 176.716 175.900 0.027 0.000 1.076 456 Y CA -0.807 57.260 58.100 -0.054 0.000 1.115 456 Y CB 2.093 40.515 38.460 -0.063 0.000 1.235 456 Y HN 0.632 nan 8.280 nan 0.000 0.468 457 T N 1.274 116.006 114.554 0.297 0.000 2.859 457 T HA 0.134 4.482 4.350 -0.003 0.000 0.281 457 T C -0.936 173.968 174.700 0.340 0.000 1.005 457 T CA -0.822 61.430 62.100 0.254 0.000 1.025 457 T CB 0.994 69.942 68.868 0.133 0.000 0.977 457 T HN 0.498 nan 8.240 nan 0.000 0.458 458 D N 1.512 122.065 120.400 0.255 0.000 2.458 458 D HA 0.005 4.643 4.640 -0.003 0.000 0.243 458 D C 1.029 177.315 176.300 -0.024 0.000 1.146 458 D CA -0.051 53.953 54.000 0.007 0.000 0.877 458 D CB 0.813 41.599 40.800 -0.023 0.000 1.176 458 D HN 0.167 nan 8.370 nan 0.000 0.461 459 V N 4.378 124.231 119.914 -0.103 0.000 2.809 459 V HA -0.130 3.988 4.120 -0.003 0.000 0.256 459 V C 2.115 178.169 176.094 -0.067 0.000 1.080 459 V CA 0.961 63.223 62.300 -0.062 0.000 1.102 459 V CB -0.406 31.368 31.823 -0.082 0.000 0.705 459 V HN 0.629 nan 8.190 nan 0.000 0.475 460 L N 0.358 121.523 121.223 -0.097 0.000 2.599 460 L HA 0.201 4.540 4.340 -0.003 0.000 0.230 460 L C 1.893 178.745 176.870 -0.030 0.000 1.141 460 L CA 0.847 55.646 54.840 -0.068 0.000 0.877 460 L CB -0.566 41.440 42.059 -0.089 0.000 1.009 460 L HN 0.525 nan 8.230 nan 0.000 0.447 461 G N -0.002 108.787 108.800 -0.018 0.000 2.180 461 G HA2 -0.312 3.646 3.960 -0.003 0.000 0.263 461 G HA3 -0.312 3.646 3.960 -0.003 0.000 0.263 461 G C 0.987 175.894 174.900 0.012 0.000 0.989 461 G CA 0.349 45.453 45.100 0.006 0.000 0.692 461 G HN 0.694 nan 8.290 nan 0.000 0.526 462 G N -2.326 106.477 108.800 0.004 0.000 2.157 462 G HA2 -0.082 3.876 3.960 -0.003 0.000 0.248 462 G HA3 -0.082 3.876 3.960 -0.003 0.000 0.248 462 G C 1.795 176.705 174.900 0.018 0.000 0.979 462 G CA 1.714 46.823 45.100 0.016 0.000 0.650 462 G HN 2.131 nan 8.290 nan 0.000 0.529 463 V N -1.754 118.167 119.914 0.012 0.000 2.490 463 V HA 0.195 4.313 4.120 -0.003 0.000 0.250 463 V C 1.888 177.999 176.094 0.027 0.000 1.061 463 V CA 2.021 64.335 62.300 0.023 0.000 1.064 463 V CB -0.336 31.503 31.823 0.027 0.000 0.670 463 V HN 0.436 nan 8.190 nan 0.000 0.461 464 L N 1.552 122.784 121.223 0.015 0.000 3.073 464 L HA 0.433 4.771 4.340 -0.003 0.000 0.242 464 L C 0.396 177.282 176.870 0.028 0.000 1.317 464 L CA -0.222 54.632 54.840 0.023 0.000 1.081 464 L CB -0.583 41.482 42.059 0.010 0.000 1.456 464 L HN 0.402 nan 8.230 nan 0.000 0.525 465 N N 0.412 119.133 118.700 0.035 0.000 2.725 465 N HA -0.149 4.589 4.740 -0.003 0.000 0.249 465 N C 0.523 176.067 175.510 0.057 0.000 1.103 465 N CA 1.024 54.103 53.050 0.048 0.000 0.707 465 N CB -1.069 37.453 38.487 0.057 0.000 1.043 465 N HN 0.592 nan 8.380 nan 0.000 0.553 466 G N 0.294 109.113 108.800 0.032 0.000 2.476 466 G HA2 0.418 4.376 3.960 -0.003 0.000 0.269 466 G HA3 0.418 4.376 3.960 -0.003 0.000 0.269 466 G C 0.553 175.513 174.900 0.099 0.000 1.195 466 G CA -0.420 44.701 45.100 0.034 0.000 0.843 466 G HN 0.432 nan 8.290 nan 0.000 0.545 467 N N 0.239 119.055 118.700 0.192 0.000 2.741 467 N HA 0.315 5.053 4.740 -0.003 0.000 0.310 467 N C -1.013 174.666 175.510 0.282 0.000 1.295 467 N CA -0.867 52.294 53.050 0.186 0.000 0.893 467 N CB 1.236 39.818 38.487 0.158 0.000 1.247 467 N HN 0.342 nan 8.380 nan 0.000 0.596 468 N N -0.532 118.241 118.700 0.121 0.000 2.404 468 N HA 0.586 5.324 4.740 -0.003 0.000 0.297 468 N C -0.267 175.099 175.510 -0.240 0.000 1.163 468 N CA -0.491 52.599 53.050 0.066 0.000 0.864 468 N CB 1.953 40.466 38.487 0.044 0.000 1.247 468 N HN 0.639 nan 8.380 nan 0.000 0.510 469 I N -3.206 117.105 120.570 -0.432 0.000 3.322 469 I HA 0.704 4.872 4.170 -0.003 0.000 0.313 469 I C -0.721 175.216 176.117 -0.301 0.000 1.129 469 I CA -0.734 60.223 61.300 -0.572 0.000 0.963 469 I CB 2.317 39.621 38.000 -1.159 0.000 1.273 469 I HN 0.133 nan 8.210 nan 0.000 0.473 470 T N 1.233 115.634 114.554 -0.255 0.000 2.881 470 T HA 0.475 4.824 4.350 -0.003 0.000 0.290 470 T C -0.729 173.914 174.700 -0.095 0.000 1.000 470 T CA -0.541 61.479 62.100 -0.133 0.000 0.978 470 T CB 1.529 70.330 68.868 -0.111 0.000 0.997 470 T HN 0.748 nan 8.240 nan 0.000 0.443 471 S N 1.557 117.250 115.700 -0.010 0.000 2.578 471 S HA 0.743 5.212 4.470 -0.003 0.000 0.301 471 S C -0.663 173.929 174.600 -0.013 0.000 1.091 471 S CA -0.496 57.705 58.200 0.002 0.000 1.032 471 S CB 1.076 64.333 63.200 0.095 0.000 1.064 471 S HN 0.650 nan 8.310 nan 0.000 0.508 472 T N 3.736 118.279 114.554 -0.018 0.000 3.209 472 T HA 0.388 4.737 4.350 -0.003 0.000 0.366 472 T C -0.714 173.976 174.700 -0.016 0.000 1.293 472 T CA -0.625 61.462 62.100 -0.021 0.000 1.417 472 T CB -0.655 68.201 68.868 -0.021 0.000 1.013 472 T HN 0.867 nan 8.240 nan 0.000 0.572 473 N N 1.619 120.308 118.700 -0.019 0.000 2.756 473 N HA -0.187 4.552 4.740 -0.003 0.000 0.248 473 N C 1.198 176.700 175.510 -0.013 0.000 1.062 473 N CA 0.779 53.818 53.050 -0.018 0.000 0.696 473 N CB -1.221 37.258 38.487 -0.013 0.000 0.946 473 N HN 1.053 nan 8.380 nan 0.000 0.548 474 G N -1.408 107.381 108.800 -0.018 0.000 2.267 474 G HA2 -0.361 3.597 3.960 -0.003 0.000 0.257 474 G HA3 -0.361 3.597 3.960 -0.003 0.000 0.257 474 G C 0.204 175.096 174.900 -0.012 0.000 0.998 474 G CA 0.365 45.453 45.100 -0.020 0.000 0.620 474 G HN 0.682 nan 8.290 nan 0.000 0.529 475 S N 1.707 117.403 115.700 -0.007 0.000 2.405 475 S HA 0.542 5.010 4.470 -0.003 0.000 0.291 475 S C 0.725 175.316 174.600 -0.016 0.000 1.137 475 S CA -0.651 57.550 58.200 0.001 0.000 1.061 475 S CB -0.234 62.970 63.200 0.007 0.000 1.001 475 S HN 0.300 nan 8.310 nan 0.000 0.507 476 I N 4.982 125.540 120.570 -0.020 0.000 2.428 476 I HA 0.186 4.355 4.170 -0.003 0.000 0.289 476 I C 0.899 177.013 176.117 -0.005 0.000 1.019 476 I CA -0.346 60.922 61.300 -0.054 0.000 1.351 476 I CB 0.372 38.319 38.000 -0.089 0.000 1.412 476 I HN 0.601 nan 8.210 nan 0.000 0.513 477 N N 5.304 123.990 118.700 -0.023 0.000 2.525 477 N HA 0.094 4.832 4.740 -0.003 0.000 0.271 477 N C -0.170 175.398 175.510 0.096 0.000 1.194 477 N CA -0.633 52.425 53.050 0.015 0.000 0.964 477 N CB 0.526 39.004 38.487 -0.014 0.000 1.126 477 N HN 0.473 nan 8.380 nan 0.000 0.452 478 N N 1.603 120.345 118.700 0.071 0.000 2.294 478 N HA 0.014 4.752 4.740 -0.003 0.000 0.248 478 N C -0.703 174.903 175.510 0.161 0.000 1.242 478 N CA 0.801 53.886 53.050 0.058 0.000 0.848 478 N CB -0.001 38.490 38.487 0.006 0.000 1.084 478 N HN 0.438 nan 8.380 nan 0.000 0.457 479 F N -2.632 117.251 119.950 -0.112 0.000 2.741 479 F HA 0.518 5.043 4.527 -0.003 0.000 0.313 479 F C -0.885 174.865 175.800 -0.083 0.000 1.153 479 F CA -1.127 56.819 58.000 -0.090 0.000 0.931 479 F CB 0.877 39.814 39.000 -0.105 0.000 1.335 479 F HN 0.085 nan 8.300 nan 0.000 0.460 480 T N 3.075 117.692 114.554 0.104 0.000 2.758 480 T HA 0.508 4.856 4.350 -0.003 0.000 0.285 480 T C -1.055 173.715 174.700 0.117 0.000 0.981 480 T CA -0.302 61.784 62.100 -0.024 0.000 0.965 480 T CB 1.274 70.157 68.868 0.024 0.000 0.927 480 T HN 0.684 nan 8.240 nan 0.000 0.448 481 L N 4.412 125.620 121.223 -0.026 0.000 2.268 481 L HA 0.608 4.946 4.340 -0.003 0.000 0.289 481 L C 0.701 177.618 176.870 0.078 0.000 1.064 481 L CA -0.296 54.614 54.840 0.117 0.000 0.824 481 L CB -0.581 41.501 42.059 0.038 0.000 1.202 481 L HN 0.838 nan 8.230 nan 0.000 0.433 482 A N 4.290 127.176 122.820 0.109 0.000 2.504 482 A HA 0.495 4.814 4.320 -0.003 0.000 0.242 482 A C 0.608 178.235 177.584 0.071 0.000 1.100 482 A CA 0.246 52.331 52.037 0.080 0.000 0.786 482 A CB -0.164 18.886 19.000 0.083 0.000 1.050 482 A HN 1.050 nan 8.150 nan 0.000 0.512 483 A N -0.311 122.545 122.820 0.061 0.000 2.511 483 A HA 0.484 4.802 4.320 -0.003 0.000 0.242 483 A C 1.623 179.250 177.584 0.072 0.000 1.069 483 A CA 0.637 52.710 52.037 0.061 0.000 0.763 483 A CB -0.936 18.096 19.000 0.052 0.000 1.001 483 A HN 2.761 nan 8.150 nan 0.000 0.498 484 G N 0.542 109.392 108.800 0.083 0.000 2.269 484 G HA2 0.104 4.062 3.960 -0.003 0.000 0.277 484 G HA3 0.104 4.062 3.960 -0.003 0.000 0.277 484 G C 0.560 175.517 174.900 0.096 0.000 1.008 484 G CA 0.875 46.034 45.100 0.098 0.000 0.774 484 G HN 2.065 nan 8.290 nan 0.000 0.511 485 A N -0.960 121.916 122.820 0.094 0.000 2.286 485 A HA 0.934 5.252 4.320 -0.003 0.000 0.286 485 A C 0.599 178.231 177.584 0.080 0.000 1.097 485 A CA 0.706 52.793 52.037 0.084 0.000 0.821 485 A CB 1.364 20.422 19.000 0.096 0.000 1.076 485 A HN 1.868 nan 8.150 nan 0.000 0.490 486 T N -0.816 113.757 114.554 0.032 0.000 3.705 486 T HA 0.581 4.929 4.350 -0.003 0.000 0.342 486 T C -0.965 173.650 174.700 -0.142 0.000 1.043 486 T CA 0.314 62.401 62.100 -0.022 0.000 1.071 486 T CB 0.352 69.234 68.868 0.024 0.000 1.124 486 T HN 1.966 nan 8.240 nan 0.000 0.467 487 A N 3.686 126.310 122.820 -0.327 0.000 2.374 487 A HA 0.901 5.220 4.320 -0.003 0.000 0.317 487 A C -0.904 176.063 177.584 -1.028 0.000 1.094 487 A CA -0.726 50.917 52.037 -0.658 0.000 0.765 487 A CB 2.045 20.589 19.000 -0.760 0.000 1.268 487 A HN 0.971 nan 8.150 nan 0.000 0.438 488 V N 2.346 121.687 119.914 -0.954 0.000 2.487 488 V HA 0.495 4.614 4.120 -0.003 0.000 0.298 488 V C -1.023 174.622 176.094 -0.749 0.000 1.028 488 V CA -0.531 61.319 62.300 -0.750 0.000 0.860 488 V CB 1.260 32.859 31.823 -0.372 0.000 0.991 488 V HN 0.845 nan 8.190 nan 0.000 0.427 489 W N 3.800 125.025 121.300 -0.125 0.000 2.689 489 W HA 0.765 5.424 4.660 -0.003 0.000 0.340 489 W C -0.176 176.255 176.519 -0.146 0.000 1.060 489 W CA -0.630 56.639 57.345 -0.126 0.000 1.218 489 W CB 2.116 31.457 29.460 -0.198 0.000 1.410 489 W HN 0.730 nan 8.180 nan 0.000 0.528 490 Q N 0.979 120.849 119.800 0.118 0.000 2.590 490 Q HA 0.675 5.013 4.340 -0.003 0.000 0.295 490 Q C -2.230 173.878 176.000 0.181 0.000 0.973 490 Q CA -1.067 54.777 55.803 0.069 0.000 0.768 490 Q CB 3.328 32.090 28.738 0.038 0.000 1.479 490 Q HN 0.329 nan 8.270 nan 0.000 0.419 491 Y N 0.132 120.449 120.300 0.028 0.000 2.358 491 Y HA 0.560 5.109 4.550 -0.003 0.000 0.324 491 Y C -1.914 174.027 175.900 0.070 0.000 1.123 491 Y CA -0.170 57.991 58.100 0.101 0.000 1.067 491 Y CB 2.367 40.886 38.460 0.098 0.000 1.230 491 Y HN 0.834 nan 8.280 nan 0.000 0.429 492 T N 4.766 118.945 114.554 -0.624 0.000 2.861 492 T HA 0.663 5.011 4.350 -0.003 0.000 0.287 492 T C -0.946 173.404 174.700 -0.583 0.000 1.003 492 T CA -0.655 61.140 62.100 -0.509 0.000 0.977 492 T CB 1.911 70.653 68.868 -0.210 0.000 0.996 492 T HN 0.632 nan 8.240 nan 0.000 0.448 493 T N 1.060 115.373 114.554 -0.401 0.000 2.868 493 T HA 0.669 5.017 4.350 -0.003 0.000 0.306 493 T C -0.922 173.723 174.700 -0.091 0.000 1.224 493 T CA -0.487 61.480 62.100 -0.221 0.000 1.012 493 T CB 1.250 70.021 68.868 -0.161 0.000 1.221 493 T HN 0.841 nan 8.240 nan 0.000 0.499 494 A N 2.361 125.153 122.820 -0.047 0.000 2.520 494 A HA 0.470 4.789 4.320 -0.003 0.000 0.245 494 A C 0.198 177.776 177.584 -0.011 0.000 1.072 494 A CA 0.084 52.106 52.037 -0.024 0.000 0.761 494 A CB -0.098 18.894 19.000 -0.013 0.000 1.004 494 A HN 0.712 nan 8.150 nan 0.000 0.499 495 E N 0.818 121.011 120.200 -0.012 0.000 2.331 495 E HA 0.378 4.726 4.350 -0.003 0.000 0.272 495 E C 0.866 177.461 176.600 -0.009 0.000 1.036 495 E CA 0.511 56.902 56.400 -0.015 0.000 0.864 495 E CB 1.254 30.936 29.700 -0.029 0.000 1.035 495 E HN 0.571 nan 8.360 nan 0.000 0.408 496 T N 1.367 115.921 114.554 -0.001 0.000 2.985 496 T HA 0.149 4.498 4.350 -0.003 0.000 0.254 496 T C -0.194 174.522 174.700 0.027 0.000 1.021 496 T CA 0.446 62.556 62.100 0.015 0.000 0.957 496 T CB 0.113 68.992 68.868 0.018 0.000 1.047 496 T HN 0.537 nan 8.240 nan 0.000 0.511 497 T N 3.128 117.691 114.554 0.015 0.000 2.855 497 T HA 0.575 4.923 4.350 -0.003 0.000 0.281 497 T C -3.038 171.697 174.700 0.057 0.000 1.007 497 T CA -2.025 60.096 62.100 0.035 0.000 1.009 497 T CB 1.623 70.497 68.868 0.009 0.000 0.983 497 T HN -0.027 nan 8.240 nan 0.000 0.455 498 P HA 0.161 nan 4.420 nan 0.000 0.266 498 P C -0.468 176.945 177.300 0.189 0.000 1.215 498 P CA 0.226 63.492 63.100 0.277 0.000 0.763 498 P CB 0.435 32.331 31.700 0.327 0.000 0.806 499 T N 4.063 118.720 114.554 0.173 0.000 3.031 499 T HA 0.414 4.762 4.350 -0.003 0.000 0.305 499 T C -0.260 174.567 174.700 0.211 0.000 0.985 499 T CA -0.745 61.388 62.100 0.054 0.000 1.008 499 T CB 0.049 68.769 68.868 -0.245 0.000 1.005 499 T HN 0.124 nan 8.240 nan 0.000 0.444 500 I N 4.983 125.707 120.570 0.255 0.000 2.436 500 I HA 0.286 4.454 4.170 -0.003 0.000 0.289 500 I C 1.634 177.897 176.117 0.242 0.000 1.083 500 I CA 0.059 61.512 61.300 0.255 0.000 1.372 500 I CB 1.049 39.119 38.000 0.118 0.000 1.408 500 I HN 0.902 nan 8.210 nan 0.000 0.516 501 G N 5.376 114.151 108.800 -0.042 0.000 2.459 501 G HA2 -0.033 3.925 3.960 -0.003 0.000 0.213 501 G HA3 -0.033 3.925 3.960 -0.003 0.000 0.213 501 G C 0.444 175.151 174.900 -0.323 0.000 1.155 501 G CA 0.404 45.184 45.100 -0.535 0.000 0.811 501 G HN 0.660 nan 8.290 nan 0.000 0.534 502 H N -1.481 117.296 119.070 -0.488 0.000 3.060 502 H HA 0.420 4.974 4.556 -0.003 0.000 0.330 502 H C -2.188 172.773 175.328 -0.612 0.000 1.305 502 H CA -0.382 55.429 56.048 -0.394 0.000 1.209 502 H CB 1.853 31.571 29.762 -0.074 0.000 1.913 502 H HN -0.086 nan 8.280 nan 0.000 0.534 503 V N 2.270 121.464 119.914 -1.201 0.000 2.588 503 V HA 0.696 4.815 4.120 -0.003 0.000 0.304 503 V C 0.157 175.935 176.094 -0.527 0.000 1.042 503 V CA -0.062 61.807 62.300 -0.718 0.000 0.877 503 V CB 1.672 33.067 31.823 -0.713 0.000 0.996 503 V HN 0.884 nan 8.190 nan 0.000 0.425 504 G N 4.953 113.669 108.800 -0.140 0.000 2.766 504 G HA2 0.705 4.663 3.960 -0.003 0.000 0.297 504 G HA3 0.705 4.663 3.960 -0.003 0.000 0.297 504 G C -3.311 171.581 174.900 -0.013 0.000 1.431 504 G CA -1.073 44.021 45.100 -0.010 0.000 1.042 504 G HN 0.485 nan 8.290 nan 0.000 0.542 505 P HA 0.275 nan 4.420 nan 0.000 0.279 505 P C 0.691 177.878 177.300 -0.188 0.000 1.282 505 P CA -0.298 62.593 63.100 -0.349 0.000 0.788 505 P CB 1.653 32.668 31.700 -1.142 0.000 1.139 506 V N -3.287 116.468 119.914 -0.264 0.000 2.982 506 V HA 0.513 4.631 4.120 -0.003 0.000 0.368 506 V C 0.394 176.003 176.094 -0.809 0.000 1.350 506 V CA 0.047 62.126 62.300 -0.369 0.000 1.251 506 V CB -0.843 30.932 31.823 -0.079 0.000 1.284 506 V HN 0.473 nan 8.190 nan 0.000 0.533 507 M N 0.777 119.969 119.600 -0.680 0.000 2.465 507 M HA 0.792 5.270 4.480 -0.003 0.000 0.284 507 M C -0.625 175.507 176.300 -0.280 0.000 1.212 507 M CA 0.196 55.205 55.300 -0.485 0.000 0.910 507 M CB 2.300 34.793 32.600 -0.179 0.000 1.725 507 M HN 0.466 nan 8.290 nan 0.000 0.477 508 G N 2.622 111.336 108.800 -0.143 0.000 2.325 508 G HA2 0.388 4.346 3.960 -0.003 0.000 0.297 508 G HA3 0.388 4.346 3.960 -0.003 0.000 0.297 508 G C -2.494 172.411 174.900 0.009 0.000 1.448 508 G CA -0.962 44.136 45.100 -0.004 0.000 0.838 508 G HN 0.866 nan 8.290 nan 0.000 0.579 509 K N -0.516 119.891 120.400 0.011 0.000 2.211 509 K HA 0.807 5.125 4.320 -0.003 0.000 0.237 509 K C -2.910 173.669 176.600 -0.035 0.000 1.002 509 K CA -2.017 54.265 56.287 -0.008 0.000 0.885 509 K CB 1.267 33.767 32.500 0.000 0.000 1.136 509 K HN 0.249 nan 8.250 nan 0.000 0.448 510 P HA 0.015 nan 4.420 nan 0.000 0.262 510 P C 0.393 177.654 177.300 -0.066 0.000 1.182 510 P CA 1.249 64.291 63.100 -0.096 0.000 0.761 510 P CB 0.608 32.257 31.700 -0.085 0.000 0.795 511 G N 2.252 111.005 108.800 -0.079 0.000 2.307 511 G HA2 -0.188 3.770 3.960 -0.003 0.000 0.210 511 G HA3 -0.188 3.770 3.960 -0.003 0.000 0.210 511 G C 0.329 175.206 174.900 -0.039 0.000 1.005 511 G CA -0.530 44.540 45.100 -0.051 0.000 0.634 511 G HN 0.493 nan 8.290 nan 0.000 0.496 512 N N 0.391 119.072 118.700 -0.032 0.000 2.453 512 N HA 0.472 5.210 4.740 -0.003 0.000 0.253 512 N C 0.092 175.592 175.510 -0.018 0.000 1.252 512 N CA 0.141 53.185 53.050 -0.009 0.000 0.917 512 N CB 1.499 39.997 38.487 0.018 0.000 1.117 512 N HN 0.245 nan 8.380 nan 0.000 0.442 513 V N 1.685 121.595 119.914 -0.007 0.000 2.398 513 V HA 0.401 4.520 4.120 -0.003 0.000 0.286 513 V C 0.197 176.292 176.094 0.002 0.000 1.026 513 V CA -0.802 61.491 62.300 -0.011 0.000 0.868 513 V CB 1.291 33.104 31.823 -0.016 0.000 0.982 513 V HN 0.473 nan 8.190 nan 0.000 0.443 514 V N 2.025 121.945 119.914 0.009 0.000 2.881 514 V HA 0.770 4.888 4.120 -0.003 0.000 0.316 514 V C -0.100 175.981 176.094 -0.023 0.000 1.070 514 V CA -0.361 61.952 62.300 0.021 0.000 0.976 514 V CB 2.063 33.947 31.823 0.102 0.000 1.038 514 V HN 0.739 nan 8.190 nan 0.000 0.446 515 T N 4.665 119.203 114.554 -0.026 0.000 2.770 515 T HA 0.678 5.026 4.350 -0.003 0.000 0.283 515 T C -0.325 174.321 174.700 -0.089 0.000 0.988 515 T CA 0.071 62.142 62.100 -0.048 0.000 0.957 515 T CB 0.687 69.552 68.868 -0.003 0.000 0.930 515 T HN 0.618 nan 8.240 nan 0.000 0.443 516 I N 3.746 124.221 120.570 -0.159 0.000 2.330 516 I HA 0.343 4.511 4.170 -0.003 0.000 0.289 516 I C -0.295 175.780 176.117 -0.071 0.000 1.001 516 I CA -0.696 60.472 61.300 -0.220 0.000 1.193 516 I CB 1.198 38.958 38.000 -0.399 0.000 1.345 516 I HN 0.452 nan 8.210 nan 0.000 0.461 517 D N 4.793 125.173 120.400 -0.034 0.000 2.198 517 D HA 0.781 5.419 4.640 -0.003 0.000 0.247 517 D C 0.274 176.505 176.300 -0.116 0.000 1.010 517 D CA -0.080 53.912 54.000 -0.014 0.000 0.880 517 D CB 2.409 43.174 40.800 -0.059 0.000 1.209 517 D HN 0.745 nan 8.370 nan 0.000 0.451 518 G N 0.558 109.201 108.800 -0.262 0.000 2.485 518 G HA2 0.335 4.294 3.960 -0.003 0.000 0.182 518 G HA3 0.335 4.294 3.960 -0.003 0.000 0.182 518 G C -1.288 173.256 174.900 -0.593 0.000 1.172 518 G CA -0.575 44.285 45.100 -0.400 0.000 0.996 518 G HN 0.290 nan 8.290 nan 0.000 0.496 519 R N -0.998 119.101 120.500 -0.668 0.000 2.739 519 R HA 0.608 4.946 4.340 -0.003 0.000 0.271 519 R C 0.575 176.583 176.300 -0.485 0.000 1.010 519 R CA -0.037 55.787 56.100 -0.459 0.000 0.897 519 R CB 1.183 31.471 30.300 -0.020 0.000 1.236 519 R HN 2.169 nan 8.270 nan 0.000 0.466 520 G N 0.916 109.558 108.800 -0.263 0.000 2.155 520 G HA2 -0.299 3.660 3.960 -0.003 0.000 0.257 520 G HA3 -0.299 3.660 3.960 -0.003 0.000 0.257 520 G C 0.423 175.409 174.900 0.143 0.000 0.983 520 G CA 0.463 45.532 45.100 -0.052 0.000 0.676 520 G HN 0.447 nan 8.290 nan 0.000 0.528 521 F N 1.152 121.143 119.950 0.068 0.000 2.451 521 F HA 0.334 4.860 4.527 -0.003 0.000 0.299 521 F C 2.137 178.192 175.800 0.424 0.000 1.101 521 F CA 1.171 59.263 58.000 0.153 0.000 1.436 521 F CB -0.996 37.912 39.000 -0.154 0.000 1.074 521 F HN 1.158 nan 8.300 nan 0.000 0.553 522 G N -0.089 108.967 108.800 0.426 0.000 2.828 522 G HA2 -0.176 3.782 3.960 -0.003 0.000 0.463 522 G HA3 -0.176 3.782 3.960 -0.003 0.000 0.463 522 G C 0.627 175.785 174.900 0.430 0.000 1.394 522 G CA -0.011 45.288 45.100 0.331 0.000 0.862 522 G HN 0.539 nan 8.290 nan 0.000 0.540 523 S N -2.117 113.726 115.700 0.238 0.000 2.539 523 S HA 0.405 4.873 4.470 -0.003 0.000 0.221 523 S C 0.805 175.433 174.600 0.047 0.000 0.987 523 S CA 1.093 59.423 58.200 0.218 0.000 0.929 523 S CB 0.616 63.886 63.200 0.116 0.000 0.832 523 S HN 1.047 nan 8.310 nan 0.000 0.492 524 T N 3.238 117.719 114.554 -0.121 0.000 2.781 524 T HA 0.328 4.676 4.350 -0.003 0.000 0.305 524 T C -0.342 173.863 174.700 -0.825 0.000 1.001 524 T CA -0.462 61.448 62.100 -0.317 0.000 0.950 524 T CB 0.926 69.674 68.868 -0.200 0.000 0.955 524 T HN 0.348 nan 8.240 nan 0.000 0.471 525 K N 3.218 123.105 120.400 -0.855 0.000 2.405 525 K HA 0.152 4.471 4.320 -0.003 0.000 0.273 525 K C 0.977 176.888 176.600 -1.149 0.000 1.116 525 K CA 0.042 55.622 56.287 -1.179 0.000 1.155 525 K CB -0.166 32.102 32.500 -0.386 0.000 0.858 525 K HN 0.754 nan 8.250 nan 0.000 0.477 526 G N 2.024 109.662 108.800 -1.936 0.000 3.227 526 G HA2 0.222 4.180 3.960 -0.003 0.000 0.171 526 G HA3 0.222 4.180 3.960 -0.003 0.000 0.171 526 G C -0.643 174.019 174.900 -0.397 0.000 1.463 526 G CA -0.200 44.360 45.100 -0.899 0.000 1.016 526 G HN 0.583 nan 8.290 nan 0.000 0.594 527 T N -1.329 113.167 114.554 -0.096 0.000 2.876 527 T HA 0.560 4.908 4.350 -0.003 0.000 0.289 527 T C -1.193 173.484 174.700 -0.038 0.000 1.014 527 T CA -0.486 61.563 62.100 -0.084 0.000 0.986 527 T CB 1.604 70.325 68.868 -0.245 0.000 1.021 527 T HN 0.305 nan 8.240 nan 0.000 0.458 528 V N 5.026 124.847 119.914 -0.155 0.000 2.513 528 V HA 0.507 4.626 4.120 -0.003 0.000 0.299 528 V C -1.161 174.702 176.094 -0.385 0.000 1.035 528 V CA -0.747 61.420 62.300 -0.222 0.000 0.889 528 V CB 1.333 33.040 31.823 -0.193 0.000 0.988 528 V HN 0.900 nan 8.190 nan 0.000 0.440 529 Y N 3.759 123.910 120.300 -0.249 0.000 2.335 529 Y HA 0.548 5.096 4.550 -0.003 0.000 0.338 529 Y C -0.346 175.324 175.900 -0.384 0.000 0.977 529 Y CA -0.608 57.377 58.100 -0.192 0.000 1.114 529 Y CB 1.553 39.951 38.460 -0.104 0.000 1.182 529 Y HN 0.529 nan 8.280 nan 0.000 0.463 530 F N 2.982 122.976 119.950 0.072 0.000 2.310 530 F HA 0.492 5.017 4.527 -0.003 0.000 0.365 530 F C 0.950 176.895 175.800 0.241 0.000 1.080 530 F CA -0.071 57.930 58.000 0.002 0.000 1.187 530 F CB 0.686 39.537 39.000 -0.249 0.000 1.465 530 F HN 0.804 nan 8.300 nan 0.000 0.496 531 G N 1.952 111.001 108.800 0.415 0.000 2.950 531 G HA2 -0.381 3.577 3.960 -0.003 0.000 0.299 531 G HA3 -0.381 3.577 3.960 -0.003 0.000 0.299 531 G C 1.076 176.128 174.900 0.254 0.000 1.310 531 G CA 0.543 45.871 45.100 0.381 0.000 0.994 531 G HN 0.456 nan 8.290 nan 0.000 0.575 532 T N 0.244 114.962 114.554 0.275 0.000 2.990 532 T HA 0.361 4.710 4.350 -0.003 0.000 0.250 532 T C 1.012 175.894 174.700 0.303 0.000 1.041 532 T CA 1.301 63.534 62.100 0.221 0.000 1.010 532 T CB 0.283 69.239 68.868 0.147 0.000 1.003 532 T HN 0.798 nan 8.240 nan 0.000 0.499 533 T N 3.333 118.060 114.554 0.288 0.000 2.799 533 T HA 0.580 4.928 4.350 -0.003 0.000 0.296 533 T C 0.136 174.923 174.700 0.146 0.000 0.947 533 T CA -0.526 61.695 62.100 0.202 0.000 1.141 533 T CB 0.768 69.727 68.868 0.151 0.000 0.891 533 T HN 0.393 nan 8.240 nan 0.000 0.533 534 A N 3.655 126.468 122.820 -0.012 0.000 2.274 534 A HA 0.607 4.925 4.320 -0.003 0.000 0.309 534 A C -0.089 177.378 177.584 -0.194 0.000 1.226 534 A CA -0.682 51.128 52.037 -0.378 0.000 0.853 534 A CB 0.514 19.251 19.000 -0.438 0.000 1.146 534 A HN 0.702 nan 8.150 nan 0.000 0.518 535 V N 3.655 123.456 119.914 -0.189 0.000 2.347 535 V HA 0.606 4.725 4.120 -0.003 0.000 0.280 535 V C 0.427 176.467 176.094 -0.091 0.000 1.021 535 V CA 0.117 62.372 62.300 -0.074 0.000 0.847 535 V CB 0.915 32.758 31.823 0.033 0.000 0.990 535 V HN 1.112 nan 8.190 nan 0.000 0.444 536 T N 1.240 115.750 114.554 -0.072 0.000 2.865 536 T HA 0.910 5.259 4.350 -0.003 0.000 0.294 536 T C 0.319 174.992 174.700 -0.044 0.000 1.119 536 T CA 0.050 62.110 62.100 -0.067 0.000 1.007 536 T CB 1.901 70.714 68.868 -0.092 0.000 1.225 536 T HN 1.634 nan 8.240 nan 0.000 0.515 537 G N 0.895 109.667 108.800 -0.047 0.000 2.498 537 G HA2 0.094 4.052 3.960 -0.003 0.000 0.251 537 G HA3 0.094 4.052 3.960 -0.003 0.000 0.251 537 G C 1.074 175.964 174.900 -0.016 0.000 1.170 537 G CA 0.468 45.546 45.100 -0.037 0.000 0.944 537 G HN 1.825 nan 8.290 nan 0.000 0.567 538 A N -0.023 122.787 122.820 -0.016 0.000 2.172 538 A HA 0.461 4.779 4.320 -0.003 0.000 0.216 538 A C 2.772 180.353 177.584 -0.005 0.000 1.154 538 A CA 2.637 54.669 52.037 -0.008 0.000 0.701 538 A CB -0.774 18.219 19.000 -0.012 0.000 0.789 538 A HN 2.256 nan 8.150 nan 0.000 0.465 539 A N -0.045 122.770 122.820 -0.008 0.000 1.969 539 A HA 0.143 4.461 4.320 -0.003 0.000 0.218 539 A C 1.071 178.659 177.584 0.006 0.000 1.169 539 A CA 0.519 52.549 52.037 -0.010 0.000 0.635 539 A CB -0.328 18.660 19.000 -0.020 0.000 0.810 539 A HN 0.448 nan 8.150 nan 0.000 0.445 540 I N 2.100 122.687 120.570 0.029 0.000 2.311 540 I HA 0.011 4.179 4.170 -0.003 0.000 0.297 540 I C 1.546 177.698 176.117 0.059 0.000 1.131 540 I CA 0.227 61.567 61.300 0.066 0.000 1.289 540 I CB 0.652 38.747 38.000 0.157 0.000 1.446 540 I HN 0.345 nan 8.210 nan 0.000 0.524 541 T N 0.719 115.292 114.554 0.030 0.000 3.051 541 T HA -0.019 4.329 4.350 -0.003 0.000 0.269 541 T C 0.639 175.362 174.700 0.039 0.000 1.127 541 T CA 0.456 62.569 62.100 0.023 0.000 1.107 541 T CB -0.195 68.675 68.868 0.004 0.000 0.898 541 T HN 0.638 nan 8.240 nan 0.000 0.517 542 S N -1.169 114.569 115.700 0.064 0.000 2.565 542 S HA 0.501 4.970 4.470 -0.003 0.000 0.274 542 S C -2.291 172.407 174.600 0.164 0.000 1.144 542 S CA -1.128 57.127 58.200 0.090 0.000 0.849 542 S CB 1.268 64.493 63.200 0.041 0.000 1.103 542 S HN 0.425 nan 8.310 nan 0.000 0.455 543 W N 3.325 124.620 121.300 -0.008 0.000 3.089 543 W HA 0.486 5.144 4.660 -0.003 0.000 0.333 543 W C -1.326 175.215 176.519 0.038 0.000 1.053 543 W CA -0.356 56.992 57.345 0.005 0.000 1.257 543 W CB 1.442 30.892 29.460 -0.017 0.000 1.281 543 W HN 1.178 nan 8.180 nan 0.000 0.427 544 E N 1.515 121.817 120.200 0.170 0.000 2.445 544 E HA 0.290 4.638 4.350 -0.003 0.000 0.273 544 E C -0.163 176.543 176.600 0.177 0.000 0.961 544 E CA -0.604 55.929 56.400 0.221 0.000 0.807 544 E CB 1.716 31.486 29.700 0.116 0.000 1.362 544 E HN 0.077 nan 8.360 nan 0.000 0.453 545 D N -0.225 120.258 120.400 0.139 0.000 2.190 545 D HA -0.161 4.477 4.640 -0.003 0.000 0.200 545 D C 1.514 177.697 176.300 -0.195 0.000 0.992 545 D CA 2.523 56.550 54.000 0.045 0.000 0.854 545 D CB 0.131 40.938 40.800 0.010 0.000 0.936 545 D HN 0.573 nan 8.370 nan 0.000 0.462 546 T N -3.735 110.734 114.554 -0.141 0.000 3.040 546 T HA 0.180 4.528 4.350 -0.003 0.000 0.266 546 T C 0.376 175.038 174.700 -0.063 0.000 1.005 546 T CA -0.570 61.376 62.100 -0.256 0.000 0.906 546 T CB 0.468 69.247 68.868 -0.148 0.000 1.082 546 T HN 0.124 nan 8.240 nan 0.000 0.531 547 Q N 0.350 120.198 119.800 0.080 0.000 2.327 547 Q HA 0.624 4.963 4.340 -0.003 0.000 0.265 547 Q C -2.234 173.724 176.000 -0.069 0.000 0.993 547 Q CA -0.826 55.010 55.803 0.056 0.000 0.885 547 Q CB 1.861 30.593 28.738 -0.010 0.000 1.379 547 Q HN 0.463 nan 8.270 nan 0.000 0.408 548 I N 3.165 123.610 120.570 -0.208 0.000 2.533 548 I HA 0.460 4.628 4.170 -0.003 0.000 0.290 548 I C -0.732 175.255 176.117 -0.216 0.000 1.056 548 I CA -0.933 60.152 61.300 -0.358 0.000 1.057 548 I CB 1.982 39.509 38.000 -0.789 0.000 1.240 548 I HN 0.354 nan 8.210 nan 0.000 0.423 549 K N 5.374 125.700 120.400 -0.122 0.000 2.235 549 K HA 0.687 5.006 4.320 -0.003 0.000 0.266 549 K C -1.167 175.398 176.600 -0.059 0.000 0.980 549 K CA -0.630 55.612 56.287 -0.075 0.000 0.849 549 K CB 2.840 35.317 32.500 -0.039 0.000 1.098 549 K HN 0.374 nan 8.250 nan 0.000 0.445 550 V N 2.025 121.908 119.914 -0.051 0.000 2.841 550 V HA 0.326 4.444 4.120 -0.003 0.000 0.310 550 V C -0.875 175.214 176.094 -0.008 0.000 1.090 550 V CA -0.497 61.792 62.300 -0.018 0.000 0.930 550 V CB 2.479 34.292 31.823 -0.016 0.000 1.014 550 V HN 0.793 nan 8.190 nan 0.000 0.425 551 T N 7.252 121.793 114.554 -0.021 0.000 2.794 551 T HA 0.461 4.809 4.350 -0.003 0.000 0.296 551 T C 0.203 174.817 174.700 -0.144 0.000 0.949 551 T CA 0.131 62.194 62.100 -0.061 0.000 1.101 551 T CB 0.258 69.093 68.868 -0.054 0.000 0.905 551 T HN 0.515 nan 8.240 nan 0.000 0.516 552 I N 7.456 127.890 120.570 -0.226 0.000 2.662 552 I HA 0.095 4.263 4.170 -0.003 0.000 0.285 552 I C -1.387 174.491 176.117 -0.399 0.000 1.161 552 I CA -1.609 59.392 61.300 -0.498 0.000 1.415 552 I CB 0.397 38.178 38.000 -0.365 0.000 1.385 552 I HN 0.377 nan 8.210 nan 0.000 0.552 553 P HA 0.035 nan 4.420 nan 0.000 0.272 553 P C -0.655 176.499 177.300 -0.244 0.000 1.240 553 P CA -0.443 62.480 63.100 -0.294 0.000 0.791 553 P CB 0.610 32.152 31.700 -0.262 0.000 0.978 554 S N 0.225 115.840 115.700 -0.142 0.000 3.483 554 S HA 0.291 4.760 4.470 -0.003 0.000 0.274 554 S C 0.536 175.091 174.600 -0.074 0.000 1.289 554 S CA -0.547 57.595 58.200 -0.095 0.000 0.938 554 S CB -1.037 62.130 63.200 -0.054 0.000 1.453 554 S HN 0.318 nan 8.310 nan 0.000 0.494 555 V N -0.291 119.562 119.914 -0.101 0.000 3.166 555 V HA 0.951 5.069 4.120 -0.003 0.000 0.317 555 V C 0.331 176.445 176.094 0.033 0.000 1.136 555 V CA -1.738 60.544 62.300 -0.029 0.000 1.035 555 V CB 0.914 32.689 31.823 -0.080 0.000 1.110 555 V HN 0.535 nan 8.190 nan 0.000 0.450 556 A N 0.850 123.753 122.820 0.138 0.000 2.498 556 A HA 0.650 4.968 4.320 -0.003 0.000 0.239 556 A C 0.807 178.522 177.584 0.218 0.000 1.068 556 A CA 0.300 52.431 52.037 0.157 0.000 0.766 556 A CB -0.365 18.731 19.000 0.160 0.000 1.003 556 A HN 2.204 nan 8.150 nan 0.000 0.497 557 A N 1.566 124.475 122.820 0.148 0.000 2.540 557 A HA 0.555 4.873 4.320 -0.003 0.000 0.239 557 A C 0.967 178.681 177.584 0.216 0.000 1.061 557 A CA 0.866 52.997 52.037 0.156 0.000 0.758 557 A CB -0.400 18.653 19.000 0.089 0.000 0.991 557 A HN 2.581 nan 8.150 nan 0.000 0.502 558 G N 1.106 110.085 108.800 0.298 0.000 2.323 558 G HA2 0.335 4.294 3.960 -0.003 0.000 0.291 558 G HA3 0.335 4.294 3.960 -0.003 0.000 0.291 558 G C -1.281 173.778 174.900 0.265 0.000 1.278 558 G CA -0.631 44.595 45.100 0.210 0.000 0.860 558 G HN 0.862 nan 8.290 nan 0.000 0.504 559 N N -0.640 118.074 118.700 0.023 0.000 2.421 559 N HA 0.742 5.480 4.740 -0.003 0.000 0.285 559 N C -1.364 174.094 175.510 -0.088 0.000 1.027 559 N CA -0.192 52.902 53.050 0.074 0.000 0.918 559 N CB 0.865 39.357 38.487 0.009 0.000 1.152 559 N HN 0.445 nan 8.380 nan 0.000 0.485 560 Y N 0.308 120.742 120.300 0.222 0.000 2.638 560 Y HA 0.726 5.274 4.550 -0.003 0.000 0.339 560 Y C -0.335 175.694 175.900 0.215 0.000 1.084 560 Y CA -1.212 57.030 58.100 0.236 0.000 1.068 560 Y CB 1.739 40.408 38.460 0.348 0.000 1.294 560 Y HN 0.478 nan 8.280 nan 0.000 0.480 561 A N 0.863 123.868 122.820 0.308 0.000 2.343 561 A HA 0.747 5.065 4.320 -0.003 0.000 0.316 561 A C -1.595 176.032 177.584 0.072 0.000 1.104 561 A CA -0.684 51.455 52.037 0.171 0.000 0.768 561 A CB 0.791 19.845 19.000 0.090 0.000 1.213 561 A HN 0.460 nan 8.150 nan 0.000 0.456 562 V N 2.626 122.538 119.914 -0.003 0.000 2.407 562 V HA 0.462 4.580 4.120 -0.003 0.000 0.278 562 V C 0.230 176.249 176.094 -0.124 0.000 1.037 562 V CA -0.244 61.907 62.300 -0.248 0.000 0.900 562 V CB 1.213 32.818 31.823 -0.363 0.000 0.983 562 V HN 0.913 nan 8.190 nan 0.000 0.459 563 K N 3.195 123.513 120.400 -0.137 0.000 2.426 563 K HA 0.785 5.104 4.320 -0.003 0.000 0.251 563 K C -1.821 174.763 176.600 -0.026 0.000 0.941 563 K CA -0.600 55.664 56.287 -0.039 0.000 0.808 563 K CB 2.483 34.978 32.500 -0.008 0.000 1.265 563 K HN 0.427 nan 8.250 nan 0.000 0.432 564 V N 2.531 122.426 119.914 -0.031 0.000 2.407 564 V HA 0.524 4.642 4.120 -0.003 0.000 0.291 564 V C -0.806 175.361 176.094 0.121 0.000 1.018 564 V CA -0.792 61.481 62.300 -0.046 0.000 0.842 564 V CB 1.435 33.040 31.823 -0.363 0.000 0.996 564 V HN 0.888 nan 8.190 nan 0.000 0.426 565 A N 4.626 127.591 122.820 0.242 0.000 2.253 565 A HA 0.851 5.169 4.320 -0.003 0.000 0.316 565 A C 0.187 177.910 177.584 0.232 0.000 1.327 565 A CA -0.187 51.991 52.037 0.235 0.000 0.917 565 A CB 0.639 19.830 19.000 0.317 0.000 1.162 565 A HN 1.225 nan 8.150 nan 0.000 0.535 566 A N 2.415 125.369 122.820 0.224 0.000 2.291 566 A HA 0.640 4.958 4.320 -0.003 0.000 0.311 566 A C 0.600 178.252 177.584 0.114 0.000 1.224 566 A CA -0.110 52.066 52.037 0.232 0.000 0.821 566 A CB -0.112 19.139 19.000 0.417 0.000 1.172 566 A HN 1.877 nan 8.150 nan 0.000 0.494 567 S N 1.469 117.186 115.700 0.028 0.000 3.711 567 S HA -0.119 4.349 4.470 -0.003 0.000 0.374 567 S C 1.468 176.082 174.600 0.023 0.000 0.969 567 S CA 1.565 59.768 58.200 0.006 0.000 1.198 567 S CB -1.628 61.583 63.200 0.017 0.000 0.903 567 S HN 2.781 nan 8.310 nan 0.000 0.493 568 G N -1.760 107.057 108.800 0.029 0.000 2.245 568 G HA2 -0.331 3.627 3.960 -0.003 0.000 0.264 568 G HA3 -0.331 3.627 3.960 -0.003 0.000 0.264 568 G C 0.156 175.083 174.900 0.044 0.000 0.985 568 G CA 0.134 45.254 45.100 0.034 0.000 0.625 568 G HN 1.578 nan 8.290 nan 0.000 0.536 569 V N 0.938 120.886 119.914 0.057 0.000 2.432 569 V HA 0.574 4.692 4.120 -0.003 0.000 0.275 569 V C 0.155 176.293 176.094 0.073 0.000 1.043 569 V CA -1.161 61.173 62.300 0.056 0.000 0.925 569 V CB 1.483 33.342 31.823 0.060 0.000 0.985 569 V HN 0.280 nan 8.190 nan 0.000 0.466 570 N N 2.464 121.192 118.700 0.046 0.000 2.479 570 N HA 0.454 5.192 4.740 -0.003 0.000 0.285 570 N C 0.293 175.825 175.510 0.037 0.000 1.075 570 N CA -0.176 52.898 53.050 0.040 0.000 0.967 570 N CB 1.527 40.002 38.487 -0.020 0.000 1.137 570 N HN 0.936 nan 8.380 nan 0.000 0.472 571 S N 1.382 117.112 115.700 0.050 0.000 2.646 571 S HA 0.316 4.784 4.470 -0.003 0.000 0.273 571 S C 0.173 174.787 174.600 0.023 0.000 1.168 571 S CA -0.884 57.345 58.200 0.048 0.000 1.013 571 S CB 0.245 63.495 63.200 0.082 0.000 1.098 571 S HN 0.621 nan 8.310 nan 0.000 0.544 572 N N 0.641 119.359 118.700 0.030 0.000 2.503 572 N HA 0.345 5.083 4.740 -0.003 0.000 0.267 572 N C -0.475 175.064 175.510 0.048 0.000 1.214 572 N CA -0.315 52.752 53.050 0.029 0.000 0.959 572 N CB 0.500 39.008 38.487 0.035 0.000 1.142 572 N HN 0.866 nan 8.380 nan 0.000 0.455 573 A N 1.256 124.097 122.820 0.036 0.000 2.328 573 A HA 0.234 4.552 4.320 -0.003 0.000 0.284 573 A C -1.087 176.554 177.584 0.095 0.000 1.160 573 A CA -0.575 51.490 52.037 0.047 0.000 0.818 573 A CB -0.168 18.843 19.000 0.018 0.000 1.087 573 A HN 0.722 nan 8.150 nan 0.000 0.504 574 Y N 4.140 124.433 120.300 -0.012 0.000 2.454 574 Y HA 0.192 4.740 4.550 -0.003 0.000 0.345 574 Y C 0.543 176.471 175.900 0.047 0.000 0.970 574 Y CA -0.381 57.727 58.100 0.013 0.000 1.204 574 Y CB 0.349 38.801 38.460 -0.013 0.000 1.122 574 Y HN 0.774 nan 8.280 nan 0.000 0.514 575 N N 3.340 121.990 118.700 -0.083 0.000 2.327 575 N HA 0.010 4.749 4.740 -0.003 0.000 0.257 575 N C -0.464 175.077 175.510 0.052 0.000 1.281 575 N CA 0.116 53.167 53.050 0.002 0.000 0.942 575 N CB 0.254 38.715 38.487 -0.043 0.000 1.199 575 N HN 0.756 nan 8.380 nan 0.000 0.532 576 N N -0.448 118.306 118.700 0.090 0.000 2.705 576 N HA -0.255 4.483 4.740 -0.003 0.000 0.255 576 N C -1.263 174.344 175.510 0.162 0.000 1.008 576 N CA 0.234 53.343 53.050 0.099 0.000 0.742 576 N CB -1.330 37.173 38.487 0.028 0.000 0.906 576 N HN 0.350 nan 8.380 nan 0.000 0.541 577 F N 1.036 121.086 119.950 0.167 0.000 2.391 577 F HA 0.326 4.851 4.527 -0.003 0.000 0.359 577 F C 0.360 176.292 175.800 0.219 0.000 1.122 577 F CA -0.493 57.627 58.000 0.201 0.000 1.120 577 F CB 0.910 40.068 39.000 0.264 0.000 1.142 577 F HN -0.068 nan 8.300 nan 0.000 0.483 578 T N 8.060 122.409 114.554 -0.343 0.000 2.729 578 T HA 0.425 4.773 4.350 -0.003 0.000 0.296 578 T C 0.162 174.786 174.700 -0.126 0.000 0.928 578 T CA -0.150 61.877 62.100 -0.122 0.000 1.045 578 T CB 0.081 68.869 68.868 -0.133 0.000 0.902 578 T HN 0.383 nan 8.240 nan 0.000 0.500 579 I N 4.768 125.429 120.570 0.152 0.000 2.336 579 I HA 0.354 4.522 4.170 -0.003 0.000 0.292 579 I C 0.145 176.308 176.117 0.076 0.000 0.991 579 I CA -0.731 60.638 61.300 0.115 0.000 1.227 579 I CB 1.162 39.199 38.000 0.062 0.000 1.366 579 I HN 0.356 nan 8.210 nan 0.000 0.466 580 L N 4.854 126.093 121.223 0.028 0.000 2.454 580 L HA 0.330 4.669 4.340 -0.003 0.000 0.256 580 L C 1.484 178.371 176.870 0.029 0.000 1.136 580 L CA -0.367 54.489 54.840 0.026 0.000 0.804 580 L CB 0.898 42.964 42.059 0.011 0.000 1.181 580 L HN 0.558 nan 8.230 nan 0.000 0.469 581 T N -0.234 114.339 114.554 0.032 0.000 2.904 581 T HA 0.133 4.481 4.350 -0.003 0.000 0.267 581 T C 0.576 175.289 174.700 0.022 0.000 1.059 581 T CA 1.101 63.220 62.100 0.032 0.000 1.137 581 T CB 0.108 68.999 68.868 0.038 0.000 0.879 581 T HN 0.893 nan 8.240 nan 0.000 0.467 582 G N 0.213 109.024 108.800 0.019 0.000 2.452 582 G HA2 0.239 4.197 3.960 -0.003 0.000 0.224 582 G HA3 0.239 4.197 3.960 -0.003 0.000 0.224 582 G C -2.072 172.839 174.900 0.018 0.000 1.208 582 G CA -0.822 44.286 45.100 0.015 0.000 0.946 582 G HN 0.071 nan 8.290 nan 0.000 0.481 583 D N 1.236 121.648 120.400 0.019 0.000 2.382 583 D HA 0.382 5.021 4.640 -0.003 0.000 0.240 583 D C 0.179 176.496 176.300 0.028 0.000 1.146 583 D CA 0.416 54.429 54.000 0.021 0.000 0.897 583 D CB 0.799 41.612 40.800 0.023 0.000 1.197 583 D HN 0.274 nan 8.370 nan 0.000 0.432 584 Q N -0.008 119.808 119.800 0.025 0.000 2.241 584 Q HA 0.676 5.014 4.340 -0.003 0.000 0.262 584 Q C -0.172 175.861 176.000 0.055 0.000 1.014 584 Q CA -1.021 54.805 55.803 0.038 0.000 0.885 584 Q CB 2.172 30.919 28.738 0.016 0.000 1.311 584 Q HN 0.360 nan 8.270 nan 0.000 0.461 585 V N -2.823 117.142 119.914 0.085 0.000 3.147 585 V HA 0.674 4.792 4.120 -0.003 0.000 0.306 585 V C -0.605 175.578 176.094 0.148 0.000 1.209 585 V CA -0.906 61.465 62.300 0.117 0.000 1.023 585 V CB 1.938 33.835 31.823 0.123 0.000 1.059 585 V HN 0.687 nan 8.190 nan 0.000 0.435 586 T N 2.268 116.937 114.554 0.192 0.000 2.756 586 T HA 0.669 5.018 4.350 -0.003 0.000 0.290 586 T C -0.337 174.492 174.700 0.216 0.000 0.985 586 T CA -0.307 61.929 62.100 0.227 0.000 0.955 586 T CB 1.211 70.271 68.868 0.320 0.000 0.930 586 T HN 0.720 nan 8.240 nan 0.000 0.451 587 V N 4.068 124.104 119.914 0.204 0.000 2.459 587 V HA 0.504 4.622 4.120 -0.003 0.000 0.295 587 V C 0.324 176.467 176.094 0.081 0.000 1.029 587 V CA -1.072 61.270 62.300 0.070 0.000 0.874 587 V CB 1.707 33.487 31.823 -0.071 0.000 0.985 587 V HN 0.720 nan 8.190 nan 0.000 0.438 588 R N 3.529 124.021 120.500 -0.013 0.000 2.229 588 R HA 0.473 4.811 4.340 -0.003 0.000 0.328 588 R C -1.498 174.763 176.300 -0.066 0.000 1.009 588 R CA -0.375 55.796 56.100 0.118 0.000 0.864 588 R CB 0.487 30.879 30.300 0.154 0.000 1.085 588 R HN 0.516 nan 8.270 nan 0.000 0.453 589 F N 4.094 124.082 119.950 0.062 0.000 2.410 589 F HA 0.350 4.876 4.527 -0.003 0.000 0.349 589 F C -0.104 175.807 175.800 0.184 0.000 1.117 589 F CA -0.516 57.509 58.000 0.041 0.000 1.104 589 F CB 1.799 40.803 39.000 0.006 0.000 1.122 589 F HN 0.102 nan 8.300 nan 0.000 0.483 590 V N 4.379 124.423 119.914 0.218 0.000 2.656 590 V HA 0.596 4.714 4.120 -0.003 0.000 0.307 590 V C -0.942 175.160 176.094 0.013 0.000 1.051 590 V CA -0.946 61.402 62.300 0.079 0.000 0.893 590 V CB 2.074 33.797 31.823 -0.168 0.000 0.999 590 V HN 0.510 nan 8.190 nan 0.000 0.426 591 V N 4.944 124.797 119.914 -0.101 0.000 2.531 591 V HA 0.600 4.719 4.120 -0.003 0.000 0.301 591 V C -0.609 175.446 176.094 -0.065 0.000 1.034 591 V CA -0.465 61.698 62.300 -0.228 0.000 0.865 591 V CB 1.964 33.295 31.823 -0.818 0.000 0.995 591 V HN 0.943 nan 8.190 nan 0.000 0.424 592 N N 4.856 123.548 118.700 -0.014 0.000 2.508 592 N HA 0.410 5.149 4.740 -0.003 0.000 0.285 592 N C 0.235 175.776 175.510 0.053 0.000 1.144 592 N CA -0.184 52.876 53.050 0.016 0.000 0.978 592 N CB 0.868 39.364 38.487 0.015 0.000 1.180 592 N HN 0.783 nan 8.380 nan 0.000 0.484 593 N N -1.063 117.639 118.700 0.003 0.000 2.741 593 N HA -0.191 4.547 4.740 -0.003 0.000 0.251 593 N C -0.658 174.791 175.510 -0.102 0.000 1.112 593 N CA 0.705 53.738 53.050 -0.028 0.000 0.750 593 N CB -1.319 37.196 38.487 0.047 0.000 1.119 593 N HN 0.666 nan 8.380 nan 0.000 0.561 594 A N 0.498 123.239 122.820 -0.131 0.000 3.056 594 A HA 0.406 4.724 4.320 -0.003 0.000 0.274 594 A C 0.833 178.258 177.584 -0.266 0.000 1.661 594 A CA -0.020 51.747 52.037 -0.449 0.000 1.363 594 A CB -0.221 18.457 19.000 -0.536 0.000 1.139 594 A HN 0.357 nan 8.150 nan 0.000 0.598 595 S N 1.165 116.691 115.700 -0.289 0.000 2.576 595 S HA 0.566 5.034 4.470 -0.003 0.000 0.276 595 S C 0.464 175.060 174.600 -0.005 0.000 1.339 595 S CA 0.299 58.426 58.200 -0.121 0.000 1.039 595 S CB 0.795 63.938 63.200 -0.096 0.000 0.902 595 S HN 1.021 nan 8.310 nan 0.000 0.516 596 T N -1.003 113.719 114.554 0.281 0.000 2.716 596 T HA 0.674 5.023 4.350 -0.003 0.000 0.286 596 T C -0.255 174.532 174.700 0.144 0.000 1.052 596 T CA -0.836 61.357 62.100 0.154 0.000 1.024 596 T CB 1.093 70.072 68.868 0.185 0.000 1.349 596 T HN 0.580 nan 8.240 nan 0.000 0.525 597 T N 1.189 115.793 114.554 0.084 0.000 2.952 597 T HA 0.544 4.892 4.350 -0.003 0.000 0.286 597 T C -0.298 174.432 174.700 0.049 0.000 1.024 597 T CA -0.634 61.502 62.100 0.060 0.000 1.029 597 T CB 1.009 69.904 68.868 0.045 0.000 1.094 597 T HN 0.671 nan 8.240 nan 0.000 0.515 598 L N 2.660 123.901 121.223 0.030 0.000 2.660 598 L HA 0.341 4.680 4.340 -0.003 0.000 0.272 598 L C 1.279 178.167 176.870 0.030 0.000 1.194 598 L CA 1.722 56.572 54.840 0.017 0.000 0.945 598 L CB -0.890 41.175 42.059 0.011 0.000 1.212 598 L HN 0.982 nan 8.230 nan 0.000 0.490 599 G N 2.677 111.499 108.800 0.036 0.000 2.157 599 G HA2 -0.310 3.648 3.960 -0.003 0.000 0.248 599 G HA3 -0.310 3.648 3.960 -0.003 0.000 0.248 599 G C 0.246 175.186 174.900 0.065 0.000 0.979 599 G CA 0.361 45.491 45.100 0.049 0.000 0.650 599 G HN 0.787 nan 8.290 nan 0.000 0.529 600 Q N 0.000 119.843 119.800 0.071 0.000 2.241 600 Q HA 0.626 4.964 4.340 -0.003 0.000 0.254 600 Q C -0.022 176.016 176.000 0.062 0.000 0.917 600 Q CA -0.541 55.299 55.803 0.062 0.000 0.919 600 Q CB 0.508 29.270 28.738 0.040 0.000 1.237 600 Q HN 0.457 nan 8.270 nan 0.000 0.434 601 N N 1.957 120.665 118.700 0.014 0.000 2.328 601 N HA 0.485 5.223 4.740 -0.003 0.000 0.299 601 N C -1.762 173.509 175.510 -0.399 0.000 1.179 601 N CA -0.639 52.330 53.050 -0.134 0.000 0.793 601 N CB 1.305 39.727 38.487 -0.108 0.000 1.366 601 N HN 0.390 nan 8.380 nan 0.000 0.493 602 L N 2.287 122.985 121.223 -0.874 0.000 2.295 602 L HA 0.490 4.828 4.340 -0.003 0.000 0.285 602 L C -1.314 175.061 176.870 -0.825 0.000 1.035 602 L CA -0.037 54.270 54.840 -0.889 0.000 0.806 602 L CB 0.287 41.451 42.059 -1.491 0.000 1.214 602 L HN 0.563 nan 8.230 nan 0.000 0.426 603 Y N 3.708 123.577 120.300 -0.719 0.000 2.805 603 Y HA 0.780 5.328 4.550 -0.003 0.000 0.321 603 Y C -0.760 174.700 175.900 -0.733 0.000 1.203 603 Y CA -0.854 56.734 58.100 -0.853 0.000 1.165 603 Y CB 1.514 39.151 38.460 -1.371 0.000 1.371 603 Y HN 0.429 nan 8.280 nan 0.000 0.564 604 L N -0.052 120.874 121.223 -0.495 0.000 2.506 604 L HA 0.792 5.131 4.340 -0.003 0.000 0.257 604 L C -1.075 175.635 176.870 -0.266 0.000 0.964 604 L CA 0.000 54.521 54.840 -0.532 0.000 0.836 604 L CB 2.453 44.035 42.059 -0.797 0.000 1.384 604 L HN 0.641 nan 8.230 nan 0.000 0.410 605 T N 1.968 116.430 114.554 -0.154 0.000 2.840 605 T HA 0.892 5.240 4.350 -0.003 0.000 0.317 605 T C -0.850 173.618 174.700 -0.386 0.000 1.401 605 T CA 0.115 62.145 62.100 -0.117 0.000 1.028 605 T CB 1.452 70.432 68.868 0.187 0.000 1.317 605 T HN 1.253 nan 8.240 nan 0.000 0.495 606 G N 1.486 109.873 108.800 -0.688 0.000 2.619 606 G HA2 0.384 4.343 3.960 -0.003 0.000 0.305 606 G HA3 0.384 4.343 3.960 -0.003 0.000 0.305 606 G C -0.334 173.873 174.900 -1.156 0.000 1.330 606 G CA -0.357 44.092 45.100 -1.084 0.000 0.789 606 G HN 0.756 nan 8.290 nan 0.000 0.487 607 N N -0.543 117.753 118.700 -0.673 0.000 2.466 607 N HA 0.091 4.830 4.740 -0.003 0.000 0.211 607 N C 0.268 175.730 175.510 -0.080 0.000 1.256 607 N CA 0.494 53.397 53.050 -0.245 0.000 0.840 607 N CB -0.025 38.572 38.487 0.184 0.000 1.079 607 N HN 0.870 nan 8.380 nan 0.000 0.466 608 V N -5.199 114.643 119.914 -0.120 0.000 2.962 608 V HA 0.789 4.907 4.120 -0.003 0.000 0.313 608 V C 1.174 177.240 176.094 -0.046 0.000 1.099 608 V CA -0.772 61.508 62.300 -0.033 0.000 0.971 608 V CB 1.059 32.885 31.823 0.005 0.000 1.028 608 V HN -0.049 nan 8.190 nan 0.000 0.430 609 A N 0.707 123.526 122.820 -0.001 0.000 1.978 609 A HA -0.134 4.185 4.320 -0.003 0.000 0.220 609 A C 1.711 179.287 177.584 -0.014 0.000 1.170 609 A CA 2.214 54.253 52.037 0.004 0.000 0.636 609 A CB -0.722 18.303 19.000 0.042 0.000 0.810 609 A HN 1.049 nan 8.150 nan 0.000 0.448 610 E N -0.400 119.793 120.200 -0.012 0.000 2.204 610 E HA -0.055 4.293 4.350 -0.003 0.000 0.195 610 E C 1.364 177.930 176.600 -0.057 0.000 0.990 610 E CA 0.805 57.195 56.400 -0.017 0.000 0.821 610 E CB -0.174 29.530 29.700 0.007 0.000 0.750 610 E HN 0.636 nan 8.360 nan 0.000 0.477 611 L N -1.178 119.986 121.223 -0.099 0.000 2.628 611 L HA 0.269 4.607 4.340 -0.003 0.000 0.229 611 L C 1.166 177.942 176.870 -0.157 0.000 1.137 611 L CA 0.251 54.986 54.840 -0.175 0.000 0.909 611 L CB 0.302 42.214 42.059 -0.246 0.000 1.137 611 L HN 0.343 nan 8.230 nan 0.000 0.470 612 G N -0.334 108.408 108.800 -0.095 0.000 2.175 612 G HA2 -0.299 3.659 3.960 -0.003 0.000 0.244 612 G HA3 -0.299 3.659 3.960 -0.003 0.000 0.244 612 G C 0.376 175.251 174.900 -0.041 0.000 0.982 612 G CA -0.033 45.035 45.100 -0.053 0.000 0.641 612 G HN 0.368 nan 8.290 nan 0.000 0.527 613 N N -0.931 117.704 118.700 -0.108 0.000 2.671 613 N HA -0.200 4.538 4.740 -0.003 0.000 0.261 613 N C 0.796 176.348 175.510 0.069 0.000 1.053 613 N CA 1.710 54.718 53.050 -0.070 0.000 0.732 613 N CB -1.640 36.869 38.487 0.036 0.000 0.887 613 N HN 1.196 nan 8.380 nan 0.000 0.546 614 W N -2.477 118.890 121.300 0.110 0.000 3.572 614 W HA -0.305 4.353 4.660 -0.003 0.000 0.298 614 W C 0.979 177.590 176.519 0.153 0.000 1.113 614 W CA 0.841 58.283 57.345 0.161 0.000 0.657 614 W CB -1.812 27.706 29.460 0.097 0.000 2.150 614 W HN 0.394 nan 8.180 nan 0.000 1.471 615 S N 0.354 116.183 115.700 0.216 0.000 2.592 615 S HA 0.449 4.917 4.470 -0.003 0.000 0.271 615 S C 1.220 175.840 174.600 0.033 0.000 1.326 615 S CA 0.438 58.707 58.200 0.114 0.000 1.024 615 S CB 1.103 64.335 63.200 0.054 0.000 0.921 615 S HN 0.274 nan 8.310 nan 0.000 0.527 616 T N 0.896 115.380 114.554 -0.117 0.000 3.084 616 T HA 0.413 4.761 4.350 -0.003 0.000 0.270 616 T C 0.861 175.459 174.700 -0.170 0.000 1.008 616 T CA 0.044 61.914 62.100 -0.383 0.000 0.900 616 T CB 0.055 68.410 68.868 -0.855 0.000 1.084 616 T HN 0.607 nan 8.240 nan 0.000 0.538 617 G N 1.835 110.582 108.800 -0.088 0.000 2.714 617 G HA2 0.366 4.324 3.960 -0.003 0.000 0.197 617 G HA3 0.366 4.324 3.960 -0.003 0.000 0.197 617 G C 1.193 176.057 174.900 -0.060 0.000 1.449 617 G CA 0.120 45.175 45.100 -0.076 0.000 1.065 617 G HN 0.387 nan 8.290 nan 0.000 0.575 618 S N -0.968 114.710 115.700 -0.036 0.000 2.547 618 S HA -0.094 4.375 4.470 -0.003 0.000 0.235 618 S C 1.732 176.329 174.600 -0.004 0.000 0.980 618 S CA 1.704 59.894 58.200 -0.016 0.000 0.941 618 S CB -0.533 62.662 63.200 -0.008 0.000 0.763 618 S HN 0.676 nan 8.310 nan 0.000 0.532 619 T N -1.100 113.451 114.554 -0.006 0.000 3.060 619 T HA 0.592 4.941 4.350 -0.003 0.000 0.249 619 T C 0.755 175.452 174.700 -0.004 0.000 1.079 619 T CA 0.140 62.238 62.100 -0.003 0.000 1.013 619 T CB -0.105 68.762 68.868 -0.003 0.000 0.975 619 T HN 0.531 nan 8.240 nan 0.000 0.518 620 A N 1.985 124.813 122.820 0.013 0.000 2.346 620 A HA 0.573 4.891 4.320 -0.003 0.000 0.252 620 A C 0.260 177.841 177.584 -0.006 0.000 1.089 620 A CA -0.559 51.498 52.037 0.033 0.000 0.797 620 A CB 0.007 19.103 19.000 0.160 0.000 1.047 620 A HN 0.362 nan 8.150 nan 0.000 0.494 621 I N 1.035 121.548 120.570 -0.095 0.000 2.365 621 I HA 0.613 4.781 4.170 -0.003 0.000 0.291 621 I C 0.927 176.837 176.117 -0.345 0.000 1.004 621 I CA 1.026 62.198 61.300 -0.213 0.000 1.311 621 I CB -0.060 37.764 38.000 -0.293 0.000 1.401 621 I HN 1.052 nan 8.210 nan 0.000 0.491 622 G N 8.061 116.516 108.800 -0.576 0.000 2.346 622 G HA2 0.096 4.054 3.960 -0.003 0.000 0.294 622 G HA3 0.096 4.054 3.960 -0.003 0.000 0.294 622 G C -3.173 171.356 174.900 -0.618 0.000 1.294 622 G CA -0.900 43.637 45.100 -0.940 0.000 0.962 622 G HN 0.428 nan 8.290 nan 0.000 0.508 623 P HA 0.513 nan 4.420 nan 0.000 0.271 623 P C 0.388 177.233 177.300 -0.758 0.000 1.216 623 P CA 0.642 63.164 63.100 -0.963 0.000 0.776 623 P CB 1.094 32.462 31.700 -0.555 0.000 0.881 624 A N 2.925 125.388 122.820 -0.595 0.000 2.386 624 A HA 0.407 4.726 4.320 -0.003 0.000 0.246 624 A C -0.070 177.548 177.584 0.056 0.000 1.089 624 A CA -0.097 51.769 52.037 -0.285 0.000 0.790 624 A CB -0.364 18.663 19.000 0.045 0.000 1.042 624 A HN 0.403 nan 8.150 nan 0.000 0.497 625 F N 0.251 120.254 119.950 0.088 0.000 2.378 625 F HA 0.414 4.939 4.527 -0.003 0.000 0.325 625 F C 1.037 176.704 175.800 -0.221 0.000 1.097 625 F CA -0.475 57.424 58.000 -0.169 0.000 1.079 625 F CB 1.041 39.727 39.000 -0.524 0.000 1.240 625 F HN 0.623 nan 8.300 nan 0.000 0.519 626 N N -0.803 117.897 118.700 -0.001 0.000 2.453 626 N HA 0.105 4.843 4.740 -0.003 0.000 0.267 626 N C -0.406 175.075 175.510 -0.049 0.000 1.482 626 N CA -0.195 52.748 53.050 -0.177 0.000 0.841 626 N CB -0.009 37.932 38.487 -0.910 0.000 1.408 626 N HN 0.714 nan 8.380 nan 0.000 0.490 627 Q N -0.639 119.208 119.800 0.077 0.000 2.589 627 Q HA 0.281 4.619 4.340 -0.003 0.000 0.216 627 Q C 1.031 177.029 176.000 -0.002 0.000 0.774 627 Q CA 0.245 56.053 55.803 0.007 0.000 0.909 627 Q CB 0.674 29.389 28.738 -0.038 0.000 1.283 627 Q HN 0.066 nan 8.270 nan 0.000 0.597 628 V N 1.911 121.831 119.914 0.010 0.000 2.261 628 V HA -0.160 3.958 4.120 -0.003 0.000 0.235 628 V C 2.197 178.133 176.094 -0.262 0.000 1.044 628 V CA 1.236 63.476 62.300 -0.099 0.000 1.007 628 V CB -0.452 31.323 31.823 -0.081 0.000 0.647 628 V HN 0.298 nan 8.190 nan 0.000 0.462 629 I N -0.625 119.642 120.570 -0.505 0.000 2.286 629 I HA -0.087 4.081 4.170 -0.003 0.000 0.248 629 I C 0.898 176.394 176.117 -1.035 0.000 1.115 629 I CA 1.628 62.387 61.300 -0.902 0.000 1.392 629 I CB -1.169 36.003 38.000 -1.380 0.000 1.065 629 I HN 0.421 nan 8.210 nan 0.000 0.418 630 H N 0.323 119.062 119.070 -0.551 0.000 2.894 630 H HA 0.488 5.043 4.556 -0.003 0.000 0.367 630 H C -0.640 174.673 175.328 -0.025 0.000 1.144 630 H CA -0.725 55.184 56.048 -0.233 0.000 1.180 630 H CB 1.752 31.408 29.762 -0.176 0.000 1.758 630 H HN 0.005 nan 8.280 nan 0.000 0.541 631 Q N 0.994 120.833 119.800 0.065 0.000 2.245 631 Q HA 0.196 4.534 4.340 -0.003 0.000 0.256 631 Q C -0.626 175.367 176.000 -0.013 0.000 0.942 631 Q CA -0.854 54.960 55.803 0.018 0.000 0.896 631 Q CB 1.388 30.123 28.738 -0.004 0.000 1.272 631 Q HN 0.478 nan 8.270 nan 0.000 0.442 632 Y N 4.410 124.573 120.300 -0.229 0.000 2.903 632 Y HA -0.018 4.530 4.550 -0.003 0.000 0.338 632 Y C -1.261 174.564 175.900 -0.125 0.000 1.265 632 Y CA -0.718 57.197 58.100 -0.308 0.000 1.532 632 Y CB 0.685 38.931 38.460 -0.358 0.000 1.293 632 Y HN 0.579 nan 8.280 nan 0.000 0.609 633 P HA 0.045 nan 4.420 nan 0.000 0.253 633 P C -0.790 176.388 177.300 -0.203 0.000 1.508 633 P CA 0.132 62.729 63.100 -0.838 0.000 0.883 633 P CB -0.136 31.079 31.700 -0.808 0.000 1.519 634 T N 0.719 115.193 114.554 -0.133 0.000 2.795 634 T HA 0.352 4.701 4.350 -0.003 0.000 0.282 634 T C -0.695 174.048 174.700 0.073 0.000 0.980 634 T CA -0.012 62.106 62.100 0.029 0.000 1.012 634 T CB 0.702 69.576 68.868 0.011 0.000 0.936 634 T HN 0.037 nan 8.240 nan 0.000 0.457 635 W N 2.893 124.207 121.300 0.024 0.000 2.719 635 W HA 0.680 5.339 4.660 -0.002 0.000 0.352 635 W C -0.651 176.002 176.519 0.224 0.000 1.085 635 W CA -0.944 56.474 57.345 0.122 0.000 1.187 635 W CB 0.890 30.341 29.460 -0.015 0.000 1.417 635 W HN 0.712 nan 8.180 nan 0.000 0.557 636 Y N -0.862 119.669 120.300 0.384 0.000 2.670 636 Y HA 0.781 5.330 4.550 -0.003 0.000 0.334 636 Y C -2.041 174.146 175.900 0.478 0.000 1.185 636 Y CA -2.656 55.650 58.100 0.343 0.000 1.053 636 Y CB 1.515 40.139 38.460 0.272 0.000 1.298 636 Y HN 0.477 nan 8.280 nan 0.000 0.459 637 Y N 0.529 121.006 120.300 0.294 0.000 2.457 637 Y HA 0.316 4.864 4.550 -0.003 0.000 0.322 637 Y C -1.888 174.196 175.900 0.306 0.000 1.218 637 Y CA -1.276 56.915 58.100 0.152 0.000 1.116 637 Y CB 1.588 40.009 38.460 -0.064 0.000 1.335 637 Y HN 0.791 nan 8.280 nan 0.000 0.452 638 D N 4.437 124.891 120.400 0.090 0.000 2.280 638 D HA 0.527 5.165 4.640 -0.003 0.000 0.243 638 D C -0.863 175.564 176.300 0.212 0.000 1.129 638 D CA 0.140 54.274 54.000 0.223 0.000 0.848 638 D CB 1.824 42.778 40.800 0.257 0.000 1.107 638 D HN 0.208 nan 8.370 nan 0.000 0.471 639 V N 1.143 121.241 119.914 0.306 0.000 2.588 639 V HA 0.312 4.431 4.120 -0.003 0.000 0.304 639 V C 0.357 176.577 176.094 0.209 0.000 1.042 639 V CA -0.981 61.466 62.300 0.244 0.000 0.877 639 V CB 1.995 33.929 31.823 0.185 0.000 0.996 639 V HN 0.471 nan 8.190 nan 0.000 0.425 640 S N 2.805 118.587 115.700 0.136 0.000 2.548 640 S HA 0.659 5.127 4.470 -0.003 0.000 0.277 640 S C -0.647 174.015 174.600 0.103 0.000 1.315 640 S CA -0.162 58.099 58.200 0.102 0.000 1.050 640 S CB 1.012 64.236 63.200 0.041 0.000 0.918 640 S HN 0.776 nan 8.310 nan 0.000 0.497 641 V N 6.483 126.467 119.914 0.117 0.000 3.048 641 V HA 0.568 4.687 4.120 -0.003 0.000 0.303 641 V C -2.452 173.704 176.094 0.103 0.000 1.214 641 V CA -2.041 60.332 62.300 0.121 0.000 0.984 641 V CB 2.730 34.674 31.823 0.203 0.000 1.054 641 V HN 0.852 nan 8.190 nan 0.000 0.430 642 P HA 0.143 nan 4.420 nan 0.000 0.265 642 P C -0.679 176.663 177.300 0.071 0.000 1.187 642 P CA 0.202 63.342 63.100 0.067 0.000 0.766 642 P CB 0.672 32.405 31.700 0.056 0.000 0.820 643 A N 2.620 125.472 122.820 0.054 0.000 2.354 643 A HA 0.516 4.834 4.320 -0.003 0.000 0.269 643 A C 1.365 178.964 177.584 0.026 0.000 1.109 643 A CA 0.165 52.229 52.037 0.045 0.000 0.800 643 A CB -0.850 18.175 19.000 0.042 0.000 1.045 643 A HN 0.826 nan 8.150 nan 0.000 0.489 644 G N 0.583 109.387 108.800 0.008 0.000 2.341 644 G HA2 -0.226 3.733 3.960 -0.003 0.000 0.292 644 G HA3 -0.226 3.733 3.960 -0.003 0.000 0.292 644 G C 0.034 174.929 174.900 -0.009 0.000 1.021 644 G CA 1.229 46.321 45.100 -0.013 0.000 0.905 644 G HN 1.105 nan 8.290 nan 0.000 0.508 645 K N -0.351 120.048 120.400 -0.001 0.000 2.318 645 K HA 0.604 4.922 4.320 -0.003 0.000 0.249 645 K C -0.002 176.609 176.600 0.018 0.000 0.942 645 K CA -0.914 55.385 56.287 0.020 0.000 0.808 645 K CB 1.223 33.750 32.500 0.045 0.000 1.189 645 K HN 0.152 nan 8.250 nan 0.000 0.428 646 Q N 4.634 124.456 119.800 0.037 0.000 2.322 646 Q HA 0.334 4.673 4.340 -0.003 0.000 0.256 646 Q C -1.056 175.024 176.000 0.132 0.000 0.960 646 Q CA -0.514 55.327 55.803 0.063 0.000 0.934 646 Q CB 0.522 29.293 28.738 0.055 0.000 1.200 646 Q HN 0.603 nan 8.270 nan 0.000 0.435 647 L N 2.659 124.012 121.223 0.217 0.000 2.334 647 L HA 0.582 4.920 4.340 -0.003 0.000 0.272 647 L C -0.270 176.825 176.870 0.375 0.000 1.020 647 L CA -0.845 54.168 54.840 0.288 0.000 0.812 647 L CB 1.786 44.066 42.059 0.369 0.000 1.264 647 L HN 0.583 nan 8.230 nan 0.000 0.439 648 E N 1.726 122.124 120.200 0.330 0.000 2.199 648 E HA 0.666 5.014 4.350 -0.003 0.000 0.269 648 E C -1.538 175.268 176.600 0.344 0.000 0.899 648 E CA -0.526 56.071 56.400 0.327 0.000 0.772 648 E CB 2.517 32.442 29.700 0.375 0.000 1.155 648 E HN 0.419 nan 8.360 nan 0.000 0.408 649 F N -0.312 119.796 119.950 0.264 0.000 2.693 649 F HA 0.673 5.198 4.527 -0.003 0.000 0.309 649 F C -1.400 174.611 175.800 0.351 0.000 1.129 649 F CA -1.038 57.019 58.000 0.094 0.000 0.948 649 F CB 1.534 40.516 39.000 -0.029 0.000 1.315 649 F HN 0.132 nan 8.300 nan 0.000 0.447 650 K N 1.404 122.099 120.400 0.491 0.000 2.527 650 K HA 0.566 4.884 4.320 -0.003 0.000 0.260 650 K C -2.013 174.834 176.600 0.411 0.000 0.937 650 K CA -0.682 55.948 56.287 0.572 0.000 0.826 650 K CB 2.558 35.514 32.500 0.761 0.000 1.359 650 K HN 0.594 nan 8.250 nan 0.000 0.434 651 F N 2.411 122.600 119.950 0.398 0.000 2.378 651 F HA 0.529 5.055 4.527 -0.003 0.000 0.325 651 F C 0.076 176.085 175.800 0.348 0.000 1.097 651 F CA -0.282 57.889 58.000 0.286 0.000 1.079 651 F CB 0.825 40.040 39.000 0.358 0.000 1.240 651 F HN 0.362 nan 8.300 nan 0.000 0.519 652 F N -0.725 119.408 119.950 0.305 0.000 2.608 652 F HA 0.684 5.210 4.527 -0.003 0.000 0.309 652 F C -1.612 174.252 175.800 0.106 0.000 1.103 652 F CA -1.584 56.472 58.000 0.093 0.000 0.954 652 F CB 1.200 39.830 39.000 -0.618 0.000 1.267 652 F HN 0.264 nan 8.300 nan 0.000 0.444 653 K N 2.688 123.262 120.400 0.289 0.000 2.130 653 K HA 0.575 4.893 4.320 -0.003 0.000 0.268 653 K C -1.089 175.618 176.600 0.179 0.000 0.983 653 K CA -1.013 55.320 56.287 0.077 0.000 0.893 653 K CB 1.856 34.342 32.500 -0.023 0.000 1.066 653 K HN 0.786 nan 8.250 nan 0.000 0.450 654 K N 2.292 122.784 120.400 0.152 0.000 2.571 654 K HA 0.126 4.444 4.320 -0.003 0.000 0.252 654 K C -0.955 175.722 176.600 0.129 0.000 0.956 654 K CA -0.484 55.892 56.287 0.148 0.000 0.822 654 K CB 0.876 33.473 32.500 0.162 0.000 1.286 654 K HN 0.684 nan 8.250 nan 0.000 0.439 655 N N 3.112 121.861 118.700 0.083 0.000 2.830 655 N HA 0.200 4.938 4.740 -0.003 0.000 0.232 655 N C 1.202 176.747 175.510 0.058 0.000 1.062 655 N CA 0.859 53.953 53.050 0.073 0.000 1.204 655 N CB -0.697 37.824 38.487 0.056 0.000 1.589 655 N HN 0.514 nan 8.380 nan 0.000 0.604 656 G N 0.172 108.996 108.800 0.041 0.000 2.568 656 G HA2 0.134 4.092 3.960 -0.003 0.000 0.212 656 G HA3 0.134 4.092 3.960 -0.003 0.000 0.212 656 G C 1.223 176.133 174.900 0.017 0.000 1.821 656 G CA 1.038 46.156 45.100 0.029 0.000 0.904 656 G HN 0.489 nan 8.290 nan 0.000 0.566 657 S N -0.808 114.900 115.700 0.014 0.000 2.452 657 S HA 0.088 4.556 4.470 -0.003 0.000 0.225 657 S C 1.465 176.068 174.600 0.005 0.000 1.057 657 S CA 1.016 59.219 58.200 0.004 0.000 0.949 657 S CB -0.656 62.548 63.200 0.007 0.000 0.836 657 S HN 0.469 nan 8.310 nan 0.000 0.518 658 T N 3.914 118.480 114.554 0.020 0.000 2.792 658 T HA 0.234 4.582 4.350 -0.003 0.000 0.286 658 T C -0.385 174.334 174.700 0.032 0.000 0.970 658 T CA -0.061 62.058 62.100 0.031 0.000 1.187 658 T CB -0.711 68.183 68.868 0.044 0.000 0.915 658 T HN 0.179 nan 8.240 nan 0.000 0.529 659 I N 5.679 126.258 120.570 0.016 0.000 2.339 659 I HA 0.282 4.450 4.170 -0.003 0.000 0.290 659 I C 0.766 176.911 176.117 0.047 0.000 0.994 659 I CA -0.464 60.815 61.300 -0.034 0.000 1.191 659 I CB 1.076 38.952 38.000 -0.207 0.000 1.343 659 I HN 0.682 nan 8.210 nan 0.000 0.458 660 T N 5.218 119.835 114.554 0.106 0.000 2.791 660 T HA 0.491 4.839 4.350 -0.003 0.000 0.288 660 T C -0.757 174.142 174.700 0.332 0.000 0.999 660 T CA -0.343 61.898 62.100 0.235 0.000 0.952 660 T CB 0.495 69.507 68.868 0.239 0.000 0.938 660 T HN 0.352 nan 8.240 nan 0.000 0.444 661 W N 2.173 123.614 121.300 0.236 0.000 2.260 661 W HA 0.507 5.166 4.660 -0.003 0.000 0.366 661 W C 0.820 177.359 176.519 0.034 0.000 1.315 661 W CA -0.904 56.560 57.345 0.199 0.000 1.458 661 W CB 0.559 30.059 29.460 0.067 0.000 1.255 661 W HN 0.596 nan 8.180 nan 0.000 0.671 662 E N 0.744 120.993 120.200 0.082 0.000 2.331 662 E HA 0.179 4.527 4.350 -0.003 0.000 0.272 662 E C 0.368 176.883 176.600 -0.141 0.000 1.036 662 E CA -0.267 55.862 56.400 -0.452 0.000 0.864 662 E CB 1.066 30.463 29.700 -0.505 0.000 1.035 662 E HN 0.396 nan 8.360 nan 0.000 0.408 663 S N 1.833 117.426 115.700 -0.178 0.000 2.477 663 S HA 0.626 5.094 4.470 -0.003 0.000 0.261 663 S C 0.866 175.368 174.600 -0.164 0.000 1.197 663 S CA -0.235 57.897 58.200 -0.113 0.000 1.015 663 S CB 0.263 63.424 63.200 -0.065 0.000 1.077 663 S HN 0.866 nan 8.310 nan 0.000 0.505 664 G N -0.008 108.708 108.800 -0.139 0.000 2.749 664 G HA2 -0.121 3.838 3.960 -0.003 0.000 0.242 664 G HA3 -0.121 3.838 3.960 -0.003 0.000 0.242 664 G C -0.144 174.646 174.900 -0.184 0.000 1.364 664 G CA -0.215 44.792 45.100 -0.156 0.000 0.888 664 G HN 1.286 nan 8.290 nan 0.000 0.566 665 S N 0.484 116.072 115.700 -0.187 0.000 2.645 665 S HA 0.500 4.968 4.470 -0.003 0.000 0.266 665 S C 0.706 175.166 174.600 -0.232 0.000 1.258 665 S CA -0.686 57.405 58.200 -0.182 0.000 0.990 665 S CB 0.755 63.874 63.200 -0.135 0.000 0.967 665 S HN 0.753 nan 8.310 nan 0.000 0.556 666 N N 1.675 120.279 118.700 -0.161 0.000 2.381 666 N HA 0.070 4.809 4.740 -0.003 0.000 0.241 666 N C -0.182 175.198 175.510 -0.216 0.000 1.279 666 N CA 0.336 53.324 53.050 -0.103 0.000 0.896 666 N CB 0.049 38.596 38.487 0.099 0.000 1.118 666 N HN 0.542 nan 8.380 nan 0.000 0.438 667 H N -0.253 118.645 119.070 -0.286 0.000 2.505 667 H HA 0.332 4.886 4.556 -0.003 0.000 0.351 667 H C 0.130 175.207 175.328 -0.417 0.000 1.151 667 H CA 0.157 55.922 56.048 -0.470 0.000 1.339 667 H CB 0.928 30.064 29.762 -1.043 0.000 1.483 667 H HN 0.499 nan 8.280 nan 0.000 0.558 668 T N -0.304 114.268 114.554 0.030 0.000 2.906 668 T HA 0.580 4.929 4.350 -0.003 0.000 0.295 668 T C -0.959 174.027 174.700 0.477 0.000 1.061 668 T CA -0.901 61.339 62.100 0.234 0.000 1.000 668 T CB 2.075 71.043 68.868 0.166 0.000 1.103 668 T HN 0.415 nan 8.240 nan 0.000 0.486 669 F N 0.461 120.596 119.950 0.309 0.000 2.688 669 F HA 0.538 5.063 4.527 -0.003 0.000 0.308 669 F C -1.563 174.349 175.800 0.186 0.000 1.117 669 F CA -0.544 57.613 58.000 0.261 0.000 0.976 669 F CB 1.771 40.983 39.000 0.352 0.000 1.291 669 F HN 0.748 nan 8.300 nan 0.000 0.439 670 T N 3.121 117.263 114.554 -0.685 0.000 2.809 670 T HA 0.432 4.780 4.350 -0.003 0.000 0.296 670 T C -0.157 174.024 174.700 -0.864 0.000 1.015 670 T CA -0.533 61.274 62.100 -0.488 0.000 0.954 670 T CB 0.792 69.507 68.868 -0.255 0.000 0.950 670 T HN 0.774 nan 8.240 nan 0.000 0.450 671 T N 2.878 117.133 114.554 -0.497 0.000 2.903 671 T HA 0.282 4.630 4.350 -0.003 0.000 0.314 671 T C -2.206 172.401 174.700 -0.154 0.000 1.078 671 T CA -1.362 60.584 62.100 -0.257 0.000 1.114 671 T CB 0.042 68.943 68.868 0.056 0.000 0.987 671 T HN 0.258 nan 8.240 nan 0.000 0.548 672 P HA 0.226 nan 4.420 nan 0.000 0.272 672 P C 0.603 177.912 177.300 0.016 0.000 1.240 672 P CA -0.421 62.677 63.100 -0.003 0.000 0.791 672 P CB 0.518 32.253 31.700 0.058 0.000 0.978 673 A N 1.425 124.254 122.820 0.017 0.000 2.014 673 A HA 0.054 4.372 4.320 -0.003 0.000 0.218 673 A C 1.048 178.656 177.584 0.039 0.000 1.163 673 A CA 1.609 53.660 52.037 0.023 0.000 0.652 673 A CB -0.674 18.337 19.000 0.018 0.000 0.808 673 A HN 0.762 nan 8.150 nan 0.000 0.449 674 S N -4.798 110.934 115.700 0.052 0.000 2.615 674 S HA 0.623 5.091 4.470 -0.003 0.000 0.269 674 S C 0.411 175.065 174.600 0.090 0.000 1.161 674 S CA 0.224 58.464 58.200 0.067 0.000 0.817 674 S CB 0.809 64.044 63.200 0.059 0.000 1.131 674 S HN 2.100 nan 8.310 nan 0.000 0.467 675 G N 0.927 109.794 108.800 0.112 0.000 2.514 675 G HA2 0.105 4.063 3.960 -0.003 0.000 0.265 675 G HA3 0.105 4.063 3.960 -0.003 0.000 0.265 675 G C 0.130 175.131 174.900 0.168 0.000 1.150 675 G CA 0.933 46.119 45.100 0.144 0.000 0.959 675 G HN 2.444 nan 8.290 nan 0.000 0.556 676 T N -2.575 112.077 114.554 0.163 0.000 2.865 676 T HA 1.005 5.354 4.350 -0.003 0.000 0.294 676 T C -0.229 174.561 174.700 0.150 0.000 1.119 676 T CA 0.546 62.751 62.100 0.175 0.000 1.007 676 T CB 1.665 70.653 68.868 0.199 0.000 1.225 676 T HN 2.661 nan 8.240 nan 0.000 0.515 677 A N 0.308 123.215 122.820 0.146 0.000 2.581 677 A HA 0.837 5.156 4.320 -0.003 0.000 0.290 677 A C -0.851 176.749 177.584 0.027 0.000 1.119 677 A CA -0.935 51.183 52.037 0.135 0.000 0.670 677 A CB 1.325 20.491 19.000 0.278 0.000 1.280 677 A HN 1.032 nan 8.150 nan 0.000 0.425 678 T N 0.301 114.833 114.554 -0.038 0.000 2.916 678 T HA 0.597 4.946 4.350 -0.003 0.000 0.298 678 T C -1.534 172.970 174.700 -0.327 0.000 1.031 678 T CA -0.423 61.578 62.100 -0.165 0.000 0.993 678 T CB 1.490 70.329 68.868 -0.049 0.000 1.045 678 T HN 1.590 nan 8.240 nan 0.000 0.454 679 V N 3.471 123.045 119.914 -0.566 0.000 2.482 679 V HA 0.645 4.763 4.120 -0.003 0.000 0.295 679 V C -0.746 175.185 176.094 -0.271 0.000 1.026 679 V CA -0.170 61.769 62.300 -0.603 0.000 0.856 679 V CB 1.698 32.704 31.823 -1.362 0.000 1.001 679 V HN 1.000 nan 8.190 nan 0.000 0.424 680 T N 6.781 121.272 114.554 -0.105 0.000 2.794 680 T HA 0.712 5.061 4.350 -0.003 0.000 0.280 680 T C -0.335 174.385 174.700 0.033 0.000 0.987 680 T CA -0.281 61.800 62.100 -0.032 0.000 0.993 680 T CB 1.430 70.276 68.868 -0.037 0.000 0.939 680 T HN 1.085 nan 8.240 nan 0.000 0.449 681 V N 0.926 120.866 119.914 0.043 0.000 3.102 681 V HA 0.705 4.823 4.120 -0.003 0.000 0.312 681 V C -0.836 175.283 176.094 0.042 0.000 1.135 681 V CA -1.161 61.163 62.300 0.041 0.000 1.022 681 V CB 2.351 34.087 31.823 -0.146 0.000 1.056 681 V HN 0.735 nan 8.190 nan 0.000 0.436 682 N N 1.709 120.482 118.700 0.122 0.000 2.405 682 N HA 0.249 4.988 4.740 -0.003 0.000 0.299 682 N C -0.948 174.703 175.510 0.234 0.000 1.075 682 N CA -0.364 52.773 53.050 0.146 0.000 0.884 682 N CB 2.095 40.661 38.487 0.132 0.000 1.194 682 N HN 1.003 nan 8.380 nan 0.000 0.491 683 W N 3.265 124.588 121.300 0.037 0.000 2.322 683 W HA 0.015 4.673 4.660 -0.003 0.000 0.328 683 W C -0.226 176.364 176.519 0.117 0.000 1.395 683 W CA 0.305 57.695 57.345 0.075 0.000 1.267 683 W CB 0.487 29.945 29.460 -0.003 0.000 1.259 683 W HN 0.492 nan 8.180 nan 0.000 0.560 684 Q N 0.000 119.585 119.800 -0.358 0.000 2.315 684 Q HA 0.000 4.338 4.340 -0.003 0.000 0.214 684 Q CA 0.000 55.651 55.803 -0.254 0.000 1.022 684 Q CB 0.000 28.581 28.738 -0.261 0.000 1.108 684 Q HN 0.000 nan 8.270 nan 0.000 0.481