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 1oqz_1_A DATA FIRST_RESID 6 DATA SEQUENCE PQAPIAAYKP RSNEILWDGY GVPHIYGVDA PSAFYGYGWA QARSHGDNIL DATA SEQUENCE RLYGEARGKG AEYWGPDYEQ TTVWLLTNGV PERAQQWYAQ QSPDFRANLD DATA SEQUENCE AFAAGINAYA QQNPDDISPD VRQVLPVSGA DVVAHAHRLM NFLYVASPGR DATA SEQUENCE TLGEGDPPDL ADQGSNSWAV APGKTANGNA LLLQNPHLSW TTDYFTYYEA DATA SEQUENCE HLVTPDFEIY GATQIGLPVI RFAFNQRMGI TNTVNGMVGA TNYRLTLQDG DATA SEQUENCE GYLYDGQVRP FERPQASYRL RQADGTTVDK PLEIRSSVHG PVFERADGTA DATA SEQUENCE VAVRVAGLDR PGMLEQYFDM ITADSFDDYE AALARMQVPT FNIVYADREG DATA SEQUENCE TINYSFNGVA PKRAEGDIAF WQGLVPGDSS RYLWTETHPL DDLPRVTNPP DATA SEQUENCE GGFVQNSNDP PWTPTWPVTY TPKDFPSYLA PQTPHSLRAQ QSVRLMSEND DATA SEQUENCE DLTLERFMAL QLSHRAVMAD RTLPDLIPAA LIDPDPEVQA AARLLAAWDR DATA SEQUENCE EFTSDSRAAL LFEEWARLFA GQNFAGQAGF ATPWSLDKPV STPYGVRDPK DATA SEQUENCE AAVDQLRTAI ANTKRKYGAI DRPFGDASRM ILNDVNVPGA AGYGNLGSFR DATA SEQUENCE VFTWSDPDEN GVRTPVHGET WVAMIEFSTP VRAYGLMSYG NSRQPGTTHY DATA SEQUENCE SDQIERVSRA DFRELLLRRE QVEAAVQERT PFNF 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 6 P HA 0.000 nan 4.420 nan 0.000 0.216 6 P C 0.000 177.315 177.300 0.025 0.000 1.155 6 P CA 0.000 63.113 63.100 0.021 0.000 0.800 6 P CB 0.000 31.714 31.700 0.024 0.000 0.726 7 Q N 1.452 121.267 119.800 0.025 0.000 2.325 7 Q HA -0.002 4.338 4.340 -0.001 0.000 0.346 7 Q C -0.254 175.764 176.000 0.031 0.000 1.253 7 Q CA 1.241 57.060 55.803 0.027 0.000 1.050 7 Q CB -1.639 27.111 28.738 0.021 0.000 1.291 7 Q HN 0.586 nan 8.270 nan 0.000 0.431 8 A N 0.434 123.276 122.820 0.037 0.000 2.483 8 A HA 0.515 4.834 4.320 -0.001 0.000 0.298 8 A C -2.588 175.025 177.584 0.048 0.000 1.052 8 A CA -1.145 50.917 52.037 0.040 0.000 0.978 8 A CB 0.752 19.772 19.000 0.034 0.000 1.506 8 A HN 0.169 nan 8.150 nan 0.000 0.388 9 P HA 0.165 nan 4.420 nan 0.000 0.269 9 P C 0.454 177.794 177.300 0.066 0.000 1.200 9 P CA 0.101 63.243 63.100 0.070 0.000 0.779 9 P CB 0.278 32.027 31.700 0.082 0.000 0.841 10 I N -1.454 119.159 120.570 0.071 0.000 2.779 10 I HA 0.406 4.575 4.170 -0.001 0.000 0.285 10 I C 0.304 176.469 176.117 0.079 0.000 1.134 10 I CA -1.130 60.211 61.300 0.069 0.000 1.398 10 I CB 0.446 38.488 38.000 0.069 0.000 1.404 10 I HN 0.247 nan 8.210 nan 0.000 0.587 11 A N 4.722 127.586 122.820 0.074 0.000 2.561 11 A HA 0.426 4.745 4.320 -0.001 0.000 0.251 11 A C 0.728 178.375 177.584 0.105 0.000 1.062 11 A CA 0.184 52.268 52.037 0.077 0.000 0.761 11 A CB -0.616 18.424 19.000 0.066 0.000 0.986 11 A HN 1.121 nan 8.150 nan 0.000 0.510 12 A N 2.705 125.587 122.820 0.103 0.000 2.425 12 A HA 0.447 4.767 4.320 -0.001 0.000 0.242 12 A C -0.041 177.637 177.584 0.158 0.000 1.077 12 A CA -0.093 52.025 52.037 0.135 0.000 0.781 12 A CB -0.009 19.056 19.000 0.110 0.000 1.020 12 A HN 1.089 nan 8.150 nan 0.000 0.494 13 Y N 0.539 120.885 120.300 0.078 0.000 2.301 13 Y HA 0.458 5.007 4.550 -0.001 0.000 0.325 13 Y C 0.129 176.060 175.900 0.052 0.000 1.203 13 Y CA 0.066 58.208 58.100 0.070 0.000 1.255 13 Y CB 0.928 39.458 38.460 0.117 0.000 1.232 13 Y HN 0.562 nan 8.280 nan 0.000 0.501 14 K N 7.382 127.374 120.400 -0.679 0.000 2.579 14 K HA 0.319 4.639 4.320 -0.001 0.000 0.225 14 K C -2.763 173.475 176.600 -0.603 0.000 0.992 14 K CA -1.871 54.155 56.287 -0.435 0.000 1.018 14 K CB 1.226 33.577 32.500 -0.249 0.000 1.249 14 K HN 0.437 nan 8.250 nan 0.000 0.489 15 P HA 0.004 nan 4.420 nan 0.000 0.264 15 P C -0.091 177.135 177.300 -0.125 0.000 1.183 15 P CA 0.096 63.130 63.100 -0.110 0.000 0.763 15 P CB 0.632 32.416 31.700 0.140 0.000 0.807 16 R N 0.672 121.111 120.500 -0.102 0.000 2.437 16 R HA 0.222 4.561 4.340 -0.001 0.000 0.257 16 R C 0.139 176.397 176.300 -0.069 0.000 0.927 16 R CA 0.118 56.166 56.100 -0.086 0.000 1.078 16 R CB 0.400 30.647 30.300 -0.089 0.000 1.161 16 R HN 0.632 nan 8.270 nan 0.000 0.529 17 S N -0.652 115.006 115.700 -0.070 0.000 2.565 17 S HA 0.371 4.841 4.470 -0.001 0.000 0.269 17 S C -1.438 173.062 174.600 -0.167 0.000 1.153 17 S CA -1.209 56.925 58.200 -0.111 0.000 0.835 17 S CB 1.594 64.735 63.200 -0.098 0.000 1.122 17 S HN -0.062 nan 8.310 nan 0.000 0.462 18 N N 2.337 120.825 118.700 -0.352 0.000 2.419 18 N HA 0.467 5.206 4.740 -0.001 0.000 0.264 18 N C -0.692 174.355 175.510 -0.771 0.000 1.031 18 N CA -0.299 52.299 53.050 -0.753 0.000 0.951 18 N CB 0.988 38.623 38.487 -1.420 0.000 1.101 18 N HN 0.855 nan 8.380 nan 0.000 0.488 19 E N 0.965 121.001 120.200 -0.272 0.000 2.363 19 E HA 0.429 4.778 4.350 -0.001 0.000 0.281 19 E C -1.293 175.524 176.600 0.361 0.000 0.953 19 E CA -0.703 55.755 56.400 0.096 0.000 0.778 19 E CB 1.175 30.900 29.700 0.041 0.000 1.220 19 E HN 0.288 nan 8.360 nan 0.000 0.431 20 I N 2.873 123.651 120.570 0.347 0.000 2.336 20 I HA 0.278 4.448 4.170 -0.001 0.000 0.292 20 I C -0.460 175.723 176.117 0.109 0.000 0.991 20 I CA -0.947 60.435 61.300 0.137 0.000 1.227 20 I CB 1.094 39.062 38.000 -0.053 0.000 1.366 20 I HN 0.404 nan 8.210 nan 0.000 0.466 21 L N 6.152 127.435 121.223 0.102 0.000 2.277 21 L HA 0.348 4.688 4.340 -0.001 0.000 0.284 21 L C -1.119 175.833 176.870 0.137 0.000 1.028 21 L CA -0.526 54.417 54.840 0.172 0.000 0.835 21 L CB 0.508 42.683 42.059 0.193 0.000 1.215 21 L HN 0.522 nan 8.230 nan 0.000 0.425 22 W N 2.537 123.961 121.300 0.208 0.000 2.315 22 W HA 0.261 4.921 4.660 -0.001 0.000 0.316 22 W C 0.632 177.253 176.519 0.169 0.000 1.211 22 W CA -0.372 57.092 57.345 0.197 0.000 1.201 22 W CB 0.689 30.234 29.460 0.142 0.000 1.184 22 W HN 0.460 nan 8.180 nan 0.000 0.544 23 D N 0.371 121.015 120.400 0.407 0.000 2.506 23 D HA 0.268 4.908 4.640 -0.001 0.000 0.272 23 D C 1.501 177.932 176.300 0.219 0.000 1.214 23 D CA -0.574 53.599 54.000 0.288 0.000 1.067 23 D CB 0.089 41.090 40.800 0.334 0.000 1.117 23 D HN 0.481 nan 8.370 nan 0.000 0.578 24 G N -1.469 107.416 108.800 0.143 0.000 2.501 24 G HA2 -0.231 3.729 3.960 -0.001 0.000 0.220 24 G HA3 -0.231 3.729 3.960 -0.001 0.000 0.220 24 G C 0.648 175.469 174.900 -0.131 0.000 1.114 24 G CA 0.551 45.645 45.100 -0.010 0.000 0.757 24 G HN 0.507 nan 8.290 nan 0.000 0.559 25 Y N -0.293 120.064 120.300 0.095 0.000 2.555 25 Y HA 0.384 4.933 4.550 -0.001 0.000 0.259 25 Y C 1.799 177.501 175.900 -0.329 0.000 1.179 25 Y CA -0.234 57.894 58.100 0.048 0.000 1.230 25 Y CB 0.525 39.064 38.460 0.133 0.000 1.146 25 Y HN 0.202 nan 8.280 nan 0.000 0.526 26 G N 0.460 108.993 108.800 -0.445 0.000 2.160 26 G HA2 -0.255 3.704 3.960 -0.001 0.000 0.244 26 G HA3 -0.255 3.704 3.960 -0.001 0.000 0.244 26 G C -0.330 174.734 174.900 0.274 0.000 1.022 26 G CA 0.136 45.088 45.100 -0.247 0.000 0.741 26 G HN 0.120 nan 8.290 nan 0.000 0.508 27 V N 2.721 122.765 119.914 0.216 0.000 2.408 27 V HA 0.417 4.536 4.120 -0.001 0.000 0.267 27 V C -1.267 174.759 176.094 -0.113 0.000 1.047 27 V CA -1.289 61.026 62.300 0.024 0.000 0.937 27 V CB 1.432 33.297 31.823 0.071 0.000 0.999 27 V HN 0.290 nan 8.190 nan 0.000 0.472 28 P HA 0.230 nan 4.420 nan 0.000 0.287 28 P C -0.737 176.159 177.300 -0.674 0.000 1.281 28 P CA -0.207 62.349 63.100 -0.906 0.000 0.781 28 P CB 0.553 31.597 31.700 -1.094 0.000 0.903 29 H N 4.197 123.024 119.070 -0.405 0.000 2.700 29 H HA 0.275 4.830 4.556 -0.001 0.000 0.269 29 H C 0.047 175.126 175.328 -0.414 0.000 1.222 29 H CA -0.677 55.172 56.048 -0.333 0.000 1.254 29 H CB 0.333 30.069 29.762 -0.044 0.000 1.413 29 H HN 0.287 nan 8.280 nan 0.000 0.507 30 I N 3.708 124.023 120.570 -0.424 0.000 2.379 30 I HA 0.006 4.176 4.170 -0.001 0.000 0.290 30 I C -0.228 175.688 176.117 -0.334 0.000 1.063 30 I CA 0.037 61.208 61.300 -0.216 0.000 1.351 30 I CB -0.258 37.658 38.000 -0.141 0.000 1.410 30 I HN 0.316 nan 8.210 nan 0.000 0.505 31 Y N 4.745 125.067 120.300 0.038 0.000 2.328 31 Y HA 0.703 5.253 4.550 -0.001 0.000 0.337 31 Y C 0.758 176.683 175.900 0.042 0.000 0.966 31 Y CA -0.702 57.403 58.100 0.009 0.000 1.136 31 Y CB 1.836 40.314 38.460 0.030 0.000 1.170 31 Y HN 0.629 nan 8.280 nan 0.000 0.470 32 G N 0.553 109.433 108.800 0.133 0.000 2.481 32 G HA2 0.445 4.404 3.960 -0.001 0.000 0.315 32 G HA3 0.445 4.404 3.960 -0.001 0.000 0.315 32 G C 0.424 175.352 174.900 0.046 0.000 1.231 32 G CA -0.817 44.349 45.100 0.109 0.000 0.968 32 G HN 0.652 nan 8.290 nan 0.000 0.482 33 V N -1.816 118.114 119.914 0.027 0.000 3.041 33 V HA 0.226 4.346 4.120 -0.001 0.000 0.260 33 V C 0.348 176.465 176.094 0.039 0.000 1.105 33 V CA 1.431 63.737 62.300 0.009 0.000 1.125 33 V CB -1.240 30.576 31.823 -0.010 0.000 0.730 33 V HN 0.736 nan 8.190 nan 0.000 0.479 34 D N -2.512 117.943 120.400 0.091 0.000 2.677 34 D HA 0.642 5.282 4.640 -0.001 0.000 0.298 34 D C 0.805 177.238 176.300 0.223 0.000 1.250 34 D CA -0.050 54.034 54.000 0.139 0.000 0.888 34 D CB 1.111 42.005 40.800 0.158 0.000 1.397 34 D HN 0.091 nan 8.370 nan 0.000 0.461 35 A N -0.403 122.614 122.820 0.327 0.000 1.865 35 A HA 0.030 4.349 4.320 -0.001 0.000 0.217 35 A C -0.650 177.247 177.584 0.521 0.000 1.191 35 A CA 2.079 54.441 52.037 0.543 0.000 0.623 35 A CB -1.887 17.451 19.000 0.563 0.000 0.826 35 A HN 0.591 nan 8.150 nan 0.000 0.444 36 P HA -0.130 nan 4.420 nan 0.000 0.215 36 P C 1.743 179.222 177.300 0.299 0.000 1.157 36 P CA 1.946 65.223 63.100 0.295 0.000 0.874 36 P CB -0.155 31.804 31.700 0.432 0.000 0.790 37 S N -0.490 115.453 115.700 0.406 0.000 2.370 37 S HA -0.203 4.267 4.470 -0.001 0.000 0.226 37 S C 2.057 176.967 174.600 0.517 0.000 1.033 37 S CA 1.534 60.016 58.200 0.470 0.000 1.011 37 S CB -1.170 62.250 63.200 0.366 0.000 0.852 37 S HN 0.165 nan 8.310 nan 0.000 0.457 38 A N 0.745 123.809 122.820 0.407 0.000 1.902 38 A HA -0.015 4.305 4.320 -0.001 0.000 0.217 38 A C 1.848 179.594 177.584 0.270 0.000 1.181 38 A CA 1.286 53.502 52.037 0.298 0.000 0.623 38 A CB -0.853 18.268 19.000 0.202 0.000 0.818 38 A HN 0.461 nan 8.150 nan 0.000 0.443 39 F N -1.889 118.212 119.950 0.252 0.000 2.234 39 F HA -0.097 4.430 4.527 -0.001 0.000 0.299 39 F C 2.154 178.111 175.800 0.261 0.000 1.087 39 F CA 1.420 59.597 58.000 0.295 0.000 1.340 39 F CB -0.666 38.424 39.000 0.150 0.000 1.031 39 F HN 0.444 nan 8.300 nan 0.000 0.500 40 Y N 0.503 120.865 120.300 0.103 0.000 2.133 40 Y HA -0.085 4.464 4.550 -0.001 0.000 0.287 40 Y C 2.519 178.320 175.900 -0.165 0.000 1.134 40 Y CA 1.665 59.680 58.100 -0.141 0.000 1.133 40 Y CB -0.919 37.327 38.460 -0.357 0.000 0.987 40 Y HN -0.013 nan 8.280 nan 0.000 0.502 41 G N -1.070 107.650 108.800 -0.132 0.000 2.432 41 G HA2 -0.329 3.631 3.960 -0.001 0.000 0.219 41 G HA3 -0.329 3.631 3.960 -0.001 0.000 0.219 41 G C 1.488 176.353 174.900 -0.057 0.000 1.135 41 G CA 0.954 45.765 45.100 -0.481 0.000 0.767 41 G HN 0.525 nan 8.290 nan 0.000 0.550 42 Y N 2.081 122.338 120.300 -0.071 0.000 2.163 42 Y HA 0.015 4.564 4.550 -0.001 0.000 0.288 42 Y C 2.707 178.586 175.900 -0.036 0.000 1.136 42 Y CA 1.019 59.134 58.100 0.026 0.000 1.147 42 Y CB -0.755 37.769 38.460 0.106 0.000 0.987 42 Y HN 0.114 nan 8.280 nan 0.000 0.509 43 G N -1.110 107.509 108.800 -0.302 0.000 2.421 43 G HA2 -0.333 3.627 3.960 -0.001 0.000 0.216 43 G HA3 -0.333 3.627 3.960 -0.001 0.000 0.216 43 G C 1.624 176.167 174.900 -0.594 0.000 1.171 43 G CA 0.692 45.160 45.100 -1.053 0.000 0.775 43 G HN 0.606 nan 8.290 nan 0.000 0.543 44 W N 1.671 122.619 121.300 -0.586 0.000 2.333 44 W HA -0.070 4.589 4.660 -0.001 0.000 0.316 44 W C 2.881 179.214 176.519 -0.311 0.000 1.215 44 W CA 2.602 59.687 57.345 -0.435 0.000 1.278 44 W CB -0.152 29.024 29.460 -0.472 0.000 1.154 44 W HN 0.270 nan 8.180 nan 0.000 0.486 45 A N -0.234 122.726 122.820 0.233 0.000 1.865 45 A HA -0.301 4.018 4.320 -0.001 0.000 0.217 45 A C 1.889 179.461 177.584 -0.019 0.000 1.191 45 A CA 2.044 54.302 52.037 0.368 0.000 0.623 45 A CB -1.125 18.057 19.000 0.303 0.000 0.826 45 A HN 0.515 nan 8.150 nan 0.000 0.444 46 Q N -0.876 118.767 119.800 -0.261 0.000 2.096 46 Q HA -0.194 4.146 4.340 -0.001 0.000 0.204 46 Q C 2.457 178.098 176.000 -0.598 0.000 0.982 46 Q CA 1.528 56.971 55.803 -0.600 0.000 0.850 46 Q CB -0.394 28.011 28.738 -0.554 0.000 0.901 46 Q HN 0.703 nan 8.270 nan 0.000 0.422 47 A N 1.142 123.576 122.820 -0.643 0.000 1.902 47 A HA -0.220 4.100 4.320 -0.001 0.000 0.217 47 A C 2.020 179.013 177.584 -0.985 0.000 1.181 47 A CA 1.527 53.146 52.037 -0.697 0.000 0.623 47 A CB -0.537 18.088 19.000 -0.625 0.000 0.818 47 A HN 0.244 nan 8.150 nan 0.000 0.443 48 R N -0.380 119.286 120.500 -1.390 0.000 2.115 48 R HA -0.074 4.265 4.340 -0.001 0.000 0.230 48 R C 1.860 177.764 176.300 -0.661 0.000 1.111 48 R CA 1.748 56.990 56.100 -1.430 0.000 0.976 48 R CB -0.136 29.447 30.300 -1.194 0.000 0.870 48 R HN 0.505 nan 8.270 nan 0.000 0.445 49 S N -1.087 114.299 115.700 -0.524 0.000 2.470 49 S HA 0.072 4.541 4.470 -0.001 0.000 0.222 49 S C 0.486 174.560 174.600 -0.877 0.000 1.024 49 S CA 0.254 58.127 58.200 -0.545 0.000 0.931 49 S CB 0.328 63.312 63.200 -0.360 0.000 0.791 49 S HN 0.457 nan 8.310 nan 0.000 0.513 50 H N -0.608 118.210 119.070 -0.420 0.000 2.985 50 H HA 0.272 4.827 4.556 -0.001 0.000 0.246 50 H C 1.677 176.782 175.328 -0.371 0.000 1.181 50 H CA 0.210 56.041 56.048 -0.363 0.000 0.972 50 H CB -0.128 29.402 29.762 -0.387 0.000 2.016 50 H HN 0.348 nan 8.280 nan 0.000 0.672 51 G N 1.559 110.167 108.800 -0.320 0.000 2.599 51 G HA2 -0.330 3.629 3.960 -0.001 0.000 0.219 51 G HA3 -0.330 3.629 3.960 -0.001 0.000 0.219 51 G C 1.300 176.055 174.900 -0.242 0.000 1.193 51 G CA 1.354 46.273 45.100 -0.301 0.000 0.778 51 G HN 0.258 nan 8.290 nan 0.000 0.589 52 D N 0.551 120.833 120.400 -0.197 0.000 2.127 52 D HA -0.137 4.503 4.640 -0.001 0.000 0.190 52 D C 2.327 178.501 176.300 -0.211 0.000 1.000 52 D CA 1.347 55.238 54.000 -0.182 0.000 0.839 52 D CB -0.693 40.007 40.800 -0.167 0.000 0.955 52 D HN 0.484 nan 8.370 nan 0.000 0.446 53 N N -0.193 118.384 118.700 -0.205 0.000 2.244 53 N HA -0.029 4.710 4.740 -0.001 0.000 0.183 53 N C 2.004 177.366 175.510 -0.248 0.000 1.016 53 N CA 0.179 53.101 53.050 -0.214 0.000 0.866 53 N CB 0.123 38.502 38.487 -0.180 0.000 0.980 53 N HN 0.165 nan 8.380 nan 0.000 0.430 54 I N 1.078 121.461 120.570 -0.311 0.000 2.252 54 I HA -0.239 3.930 4.170 -0.001 0.000 0.245 54 I C 2.033 177.838 176.117 -0.520 0.000 1.102 54 I CA 0.953 61.959 61.300 -0.490 0.000 1.385 54 I CB -0.182 37.472 38.000 -0.577 0.000 1.064 54 I HN 0.153 nan 8.210 nan 0.000 0.414 55 L N 0.247 121.263 121.223 -0.345 0.000 2.046 55 L HA -0.222 4.118 4.340 -0.001 0.000 0.208 55 L C 2.796 179.670 176.870 0.007 0.000 1.077 55 L CA 1.371 56.109 54.840 -0.170 0.000 0.747 55 L CB -0.569 41.418 42.059 -0.120 0.000 0.896 55 L HN 0.223 nan 8.230 nan 0.000 0.432 56 R N 0.435 120.871 120.500 -0.107 0.000 2.081 56 R HA -0.155 4.185 4.340 -0.001 0.000 0.235 56 R C 2.350 178.677 176.300 0.046 0.000 1.131 56 R CA 1.310 57.285 56.100 -0.209 0.000 0.960 56 R CB -0.170 29.785 30.300 -0.575 0.000 0.856 56 R HN 0.283 nan 8.270 nan 0.000 0.436 57 L N -0.672 120.556 121.223 0.009 0.000 2.046 57 L HA -0.196 4.144 4.340 -0.001 0.000 0.208 57 L C 2.206 179.257 176.870 0.302 0.000 1.077 57 L CA 1.417 56.333 54.840 0.127 0.000 0.747 57 L CB -0.505 41.525 42.059 -0.048 0.000 0.896 57 L HN 0.333 nan 8.230 nan 0.000 0.432 58 Y N -0.257 120.058 120.300 0.025 0.000 2.224 58 Y HA -0.198 4.352 4.550 -0.001 0.000 0.289 58 Y C 2.590 178.608 175.900 0.196 0.000 1.146 58 Y CA 0.338 58.495 58.100 0.094 0.000 1.182 58 Y CB -0.386 38.105 38.460 0.052 0.000 0.983 58 Y HN 0.236 nan 8.280 nan 0.000 0.524 59 G N 0.027 109.114 108.800 0.479 0.000 2.418 59 G HA2 -0.236 3.724 3.960 -0.001 0.000 0.217 59 G HA3 -0.236 3.724 3.960 -0.001 0.000 0.217 59 G C 1.337 176.495 174.900 0.429 0.000 1.158 59 G CA 0.925 46.365 45.100 0.566 0.000 0.771 59 G HN 0.389 nan 8.290 nan 0.000 0.545 60 E N 0.583 121.060 120.200 0.462 0.000 2.072 60 E HA -0.050 4.299 4.350 -0.001 0.000 0.191 60 E C 2.946 179.667 176.600 0.202 0.000 0.985 60 E CA 0.713 57.319 56.400 0.343 0.000 0.801 60 E CB -0.207 29.711 29.700 0.364 0.000 0.750 60 E HN 0.400 nan 8.360 nan 0.000 0.452 61 A N 1.503 124.453 122.820 0.217 0.000 2.024 61 A HA -0.187 4.133 4.320 -0.001 0.000 0.220 61 A C 1.960 179.574 177.584 0.050 0.000 1.164 61 A CA 1.145 53.262 52.037 0.133 0.000 0.643 61 A CB -0.402 18.695 19.000 0.161 0.000 0.806 61 A HN 0.094 nan 8.150 nan 0.000 0.451 62 R N -1.407 119.128 120.500 0.058 0.000 2.323 62 R HA 0.173 4.513 4.340 -0.001 0.000 0.198 62 R C 1.273 177.539 176.300 -0.058 0.000 0.988 62 R CA 0.498 56.595 56.100 -0.005 0.000 1.041 62 R CB -0.178 30.129 30.300 0.012 0.000 0.926 62 R HN 0.680 nan 8.270 nan 0.000 0.476 63 G N 1.517 110.288 108.800 -0.048 0.000 2.147 63 G HA2 -0.307 3.652 3.960 -0.001 0.000 0.244 63 G HA3 -0.307 3.652 3.960 -0.001 0.000 0.244 63 G C 0.444 175.248 174.900 -0.160 0.000 1.005 63 G CA 0.272 45.313 45.100 -0.098 0.000 0.713 63 G HN 0.340 nan 8.290 nan 0.000 0.515 64 K N -0.006 120.268 120.400 -0.209 0.000 2.514 64 K HA 0.308 4.628 4.320 -0.001 0.000 0.207 64 K C 2.252 178.539 176.600 -0.522 0.000 1.035 64 K CA 0.252 56.244 56.287 -0.491 0.000 1.113 64 K CB 0.473 32.445 32.500 -0.880 0.000 0.846 64 K HN 0.272 nan 8.250 nan 0.000 0.491 65 G N 1.489 110.222 108.800 -0.112 0.000 2.421 65 G HA2 -0.289 3.670 3.960 -0.001 0.000 0.216 65 G HA3 -0.289 3.670 3.960 -0.001 0.000 0.216 65 G C 1.534 176.457 174.900 0.037 0.000 1.171 65 G CA 1.067 46.251 45.100 0.140 0.000 0.775 65 G HN 0.335 nan 8.290 nan 0.000 0.543 66 A N 0.633 123.465 122.820 0.020 0.000 1.877 66 A HA -0.037 4.283 4.320 -0.001 0.000 0.216 66 A C 2.160 179.720 177.584 -0.040 0.000 1.186 66 A CA 2.040 54.117 52.037 0.068 0.000 0.620 66 A CB -0.523 18.524 19.000 0.079 0.000 0.822 66 A HN 0.480 nan 8.150 nan 0.000 0.443 67 E N -1.487 118.601 120.200 -0.188 0.000 2.085 67 E HA -0.230 4.119 4.350 -0.001 0.000 0.194 67 E C 1.748 178.156 176.600 -0.320 0.000 0.994 67 E CA 1.623 57.864 56.400 -0.265 0.000 0.801 67 E CB -0.213 29.230 29.700 -0.428 0.000 0.743 67 E HN 0.711 nan 8.360 nan 0.000 0.453 68 Y N -1.510 118.426 120.300 -0.605 0.000 2.269 68 Y HA -0.079 4.471 4.550 -0.001 0.000 0.294 68 Y C 1.623 176.842 175.900 -1.134 0.000 1.120 68 Y CA 0.517 57.939 58.100 -1.130 0.000 1.159 68 Y CB -0.168 36.971 38.460 -2.202 0.000 1.024 68 Y HN 0.259 nan 8.280 nan 0.000 0.532 69 W N -0.292 120.963 121.300 -0.075 0.000 2.714 69 W HA 0.546 5.205 4.660 -0.001 0.000 0.353 69 W C 0.781 177.331 176.519 0.051 0.000 0.999 69 W CA 0.582 57.838 57.345 -0.149 0.000 1.629 69 W CB -0.020 29.055 29.460 -0.642 0.000 1.106 69 W HN 0.153 nan 8.180 nan 0.000 0.545 70 G N 1.187 110.110 108.800 0.205 0.000 2.660 70 G HA2 -0.253 3.707 3.960 -0.001 0.000 0.247 70 G HA3 -0.253 3.707 3.960 -0.001 0.000 0.247 70 G C -1.688 173.377 174.900 0.276 0.000 1.328 70 G CA -0.491 44.739 45.100 0.217 0.000 0.884 70 G HN -0.182 nan 8.290 nan 0.000 0.531 71 P HA -0.138 nan 4.420 nan 0.000 0.220 71 P C 1.211 178.596 177.300 0.143 0.000 1.155 71 P CA 2.081 65.272 63.100 0.152 0.000 0.880 71 P CB -0.085 31.679 31.700 0.107 0.000 0.790 72 D N -2.791 117.708 120.400 0.164 0.000 2.309 72 D HA -0.142 4.498 4.640 -0.001 0.000 0.212 72 D C 1.074 177.282 176.300 -0.153 0.000 0.968 72 D CA 1.198 55.198 54.000 0.001 0.000 0.882 72 D CB -0.436 40.335 40.800 -0.048 0.000 0.918 72 D HN 0.385 nan 8.370 nan 0.000 0.503 73 Y N -0.053 120.312 120.300 0.109 0.000 2.481 73 Y HA 0.195 4.745 4.550 -0.001 0.000 0.247 73 Y C 1.985 177.918 175.900 0.054 0.000 1.151 73 Y CA -0.474 57.696 58.100 0.116 0.000 1.238 73 Y CB 0.256 38.860 38.460 0.240 0.000 1.179 73 Y HN -0.096 nan 8.280 nan 0.000 0.524 74 E N 0.859 121.151 120.200 0.154 0.000 2.110 74 E HA -0.280 4.069 4.350 -0.001 0.000 0.193 74 E C 2.078 178.679 176.600 0.001 0.000 0.988 74 E CA 1.236 57.669 56.400 0.055 0.000 0.804 74 E CB 0.149 29.914 29.700 0.109 0.000 0.745 74 E HN 0.583 nan 8.360 nan 0.000 0.458 75 Q N -0.163 119.650 119.800 0.020 0.000 2.030 75 Q HA -0.167 4.172 4.340 -0.001 0.000 0.204 75 Q C 2.008 178.039 176.000 0.052 0.000 0.986 75 Q CA 2.299 58.115 55.803 0.022 0.000 0.843 75 Q CB -0.090 28.633 28.738 -0.025 0.000 0.904 75 Q HN 0.225 nan 8.270 nan 0.000 0.420 76 T N 0.378 114.954 114.554 0.038 0.000 2.720 76 T HA -0.150 4.200 4.350 -0.001 0.000 0.268 76 T C 1.824 176.586 174.700 0.102 0.000 1.037 76 T CA 1.745 63.903 62.100 0.096 0.000 1.144 76 T CB -0.545 68.374 68.868 0.085 0.000 0.864 76 T HN 0.416 nan 8.240 nan 0.000 0.444 77 T N 1.850 116.406 114.554 0.004 0.000 2.684 77 T HA -0.106 4.244 4.350 -0.001 0.000 0.267 77 T C 2.171 176.753 174.700 -0.196 0.000 1.036 77 T CA 1.201 63.216 62.100 -0.141 0.000 1.148 77 T CB -0.576 68.102 68.868 -0.317 0.000 0.863 77 T HN 0.173 nan 8.240 nan 0.000 0.436 78 V N 0.802 120.614 119.914 -0.170 0.000 2.343 78 V HA -0.151 3.968 4.120 -0.001 0.000 0.247 78 V C 2.041 178.217 176.094 0.135 0.000 1.051 78 V CA 1.453 63.711 62.300 -0.070 0.000 1.036 78 V CB -0.708 31.136 31.823 0.036 0.000 0.654 78 V HN 0.677 nan 8.190 nan 0.000 0.451 79 W N 0.544 121.861 121.300 0.029 0.000 2.355 79 W HA -0.172 4.487 4.660 -0.001 0.000 0.309 79 W C 2.066 178.563 176.519 -0.037 0.000 1.206 79 W CA 1.660 59.057 57.345 0.087 0.000 1.284 79 W CB -0.247 29.190 29.460 -0.038 0.000 1.145 79 W HN 0.230 nan 8.180 nan 0.000 0.502 80 L N 0.443 121.602 121.223 -0.106 0.000 2.093 80 L HA -0.235 4.105 4.340 -0.001 0.000 0.208 80 L C 2.669 179.329 176.870 -0.349 0.000 1.085 80 L CA 0.899 55.531 54.840 -0.346 0.000 0.755 80 L CB -0.969 40.997 42.059 -0.156 0.000 0.904 80 L HN 0.008 nan 8.230 nan 0.000 0.435 81 L N -0.865 120.224 121.223 -0.222 0.000 2.044 81 L HA -0.148 4.192 4.340 -0.001 0.000 0.205 81 L C 2.607 179.347 176.870 -0.217 0.000 1.075 81 L CA 1.348 56.070 54.840 -0.197 0.000 0.747 81 L CB -0.753 41.216 42.059 -0.150 0.000 0.903 81 L HN 0.214 nan 8.230 nan 0.000 0.435 82 T N -0.503 113.926 114.554 -0.210 0.000 2.833 82 T HA -0.125 4.224 4.350 -0.001 0.000 0.269 82 T C 1.440 175.964 174.700 -0.293 0.000 1.054 82 T CA 1.072 63.012 62.100 -0.268 0.000 1.135 82 T CB -0.204 68.430 68.868 -0.390 0.000 0.869 82 T HN 0.268 nan 8.240 nan 0.000 0.466 83 N N 0.499 118.956 118.700 -0.404 0.000 2.314 83 N HA 0.137 4.877 4.740 -0.001 0.000 0.200 83 N C 1.289 176.523 175.510 -0.460 0.000 1.135 83 N CA 0.380 53.114 53.050 -0.526 0.000 0.835 83 N CB 0.283 38.088 38.487 -1.138 0.000 0.989 83 N HN 0.498 nan 8.380 nan 0.000 0.478 84 G N 0.905 109.505 108.800 -0.334 0.000 2.321 84 G HA2 -0.293 3.666 3.960 -0.001 0.000 0.287 84 G HA3 -0.293 3.666 3.960 -0.001 0.000 0.287 84 G C 1.162 175.905 174.900 -0.263 0.000 1.018 84 G CA 0.650 45.603 45.100 -0.245 0.000 0.855 84 G HN 0.234 nan 8.290 nan 0.000 0.507 85 V N 0.456 120.146 119.914 -0.373 0.000 2.295 85 V HA -0.156 3.963 4.120 -0.001 0.000 0.246 85 V C 0.997 177.004 176.094 -0.144 0.000 1.049 85 V CA 2.649 64.777 62.300 -0.287 0.000 1.024 85 V CB -0.920 30.621 31.823 -0.470 0.000 0.648 85 V HN 0.412 nan 8.190 nan 0.000 0.447 86 P HA -0.177 nan 4.420 nan 0.000 0.214 86 P C 1.679 178.921 177.300 -0.096 0.000 1.163 86 P CA 1.522 64.563 63.100 -0.098 0.000 0.883 86 P CB 0.053 31.696 31.700 -0.095 0.000 0.788 87 E N -0.172 119.964 120.200 -0.108 0.000 2.077 87 E HA -0.196 4.153 4.350 -0.001 0.000 0.193 87 E C 2.177 178.704 176.600 -0.121 0.000 0.989 87 E CA 1.301 57.647 56.400 -0.091 0.000 0.800 87 E CB -0.635 29.015 29.700 -0.084 0.000 0.746 87 E HN -0.057 nan 8.360 nan 0.000 0.452 88 R N -0.419 119.958 120.500 -0.205 0.000 2.120 88 R HA -0.086 4.253 4.340 -0.001 0.000 0.234 88 R C 2.121 178.153 176.300 -0.446 0.000 1.123 88 R CA 1.253 57.124 56.100 -0.381 0.000 0.975 88 R CB -0.324 29.629 30.300 -0.578 0.000 0.866 88 R HN 0.246 nan 8.270 nan 0.000 0.446 89 A N 0.599 123.254 122.820 -0.275 0.000 1.877 89 A HA -0.189 4.130 4.320 -0.001 0.000 0.216 89 A C 2.015 179.631 177.584 0.054 0.000 1.186 89 A CA 1.167 53.142 52.037 -0.103 0.000 0.620 89 A CB -0.424 18.559 19.000 -0.028 0.000 0.822 89 A HN 0.323 nan 8.150 nan 0.000 0.443 90 Q N -0.121 119.694 119.800 0.025 0.000 2.096 90 Q HA -0.235 4.105 4.340 -0.001 0.000 0.204 90 Q C 2.229 178.334 176.000 0.174 0.000 0.982 90 Q CA 2.003 57.868 55.803 0.103 0.000 0.850 90 Q CB -0.535 28.232 28.738 0.048 0.000 0.901 90 Q HN 0.841 nan 8.270 nan 0.000 0.422 91 Q N -1.017 118.844 119.800 0.102 0.000 1.993 91 Q HA -0.174 4.165 4.340 -0.001 0.000 0.202 91 Q C 2.019 178.187 176.000 0.279 0.000 0.984 91 Q CA 1.267 57.158 55.803 0.146 0.000 0.837 91 Q CB -0.263 28.531 28.738 0.094 0.000 0.902 91 Q HN 0.394 nan 8.270 nan 0.000 0.423 92 W N 0.211 121.525 121.300 0.023 0.000 2.318 92 W HA -0.235 4.425 4.660 -0.001 0.000 0.313 92 W C 2.245 178.809 176.519 0.076 0.000 1.221 92 W CA 0.886 58.244 57.345 0.021 0.000 1.266 92 W CB -1.303 28.148 29.460 -0.015 0.000 1.150 92 W HN 0.280 nan 8.180 nan 0.000 0.496 93 Y N 0.970 121.420 120.300 0.250 0.000 2.128 93 Y HA -0.195 4.355 4.550 -0.001 0.000 0.284 93 Y C 2.404 178.375 175.900 0.119 0.000 1.154 93 Y CA 2.706 60.903 58.100 0.161 0.000 1.149 93 Y CB -0.942 37.587 38.460 0.115 0.000 0.976 93 Y HN -0.112 nan 8.280 nan 0.000 0.505 94 A N -0.106 122.756 122.820 0.070 0.000 2.019 94 A HA -0.199 4.120 4.320 -0.001 0.000 0.219 94 A C 1.972 179.522 177.584 -0.056 0.000 1.164 94 A CA 1.693 53.705 52.037 -0.042 0.000 0.644 94 A CB -0.596 18.450 19.000 0.076 0.000 0.805 94 A HN 0.686 nan 8.150 nan 0.000 0.449 95 Q N -0.157 119.649 119.800 0.010 0.000 2.403 95 Q HA 0.056 4.395 4.340 -0.001 0.000 0.203 95 Q C 0.125 176.096 176.000 -0.048 0.000 0.932 95 Q CA -0.095 55.703 55.803 -0.008 0.000 0.945 95 Q CB 0.197 28.949 28.738 0.024 0.000 1.045 95 Q HN 0.585 nan 8.270 nan 0.000 0.511 96 Q N 0.639 120.399 119.800 -0.068 0.000 2.443 96 Q HA 0.105 4.445 4.340 -0.001 0.000 0.232 96 Q C 0.223 176.197 176.000 -0.043 0.000 1.026 96 Q CA 0.065 55.844 55.803 -0.040 0.000 0.924 96 Q CB 0.904 29.633 28.738 -0.016 0.000 1.256 96 Q HN 0.220 nan 8.270 nan 0.000 0.519 97 S N 0.026 115.726 115.700 0.000 0.000 2.592 97 S HA 0.206 4.675 4.470 -0.001 0.000 0.271 97 S C -1.886 172.721 174.600 0.011 0.000 1.326 97 S CA -1.118 57.084 58.200 0.004 0.000 1.024 97 S CB 0.944 64.157 63.200 0.021 0.000 0.921 97 S HN 0.262 nan 8.310 nan 0.000 0.527 98 P HA -0.134 nan 4.420 nan 0.000 0.216 98 P C 0.740 178.047 177.300 0.012 0.000 1.157 98 P CA 1.425 64.522 63.100 -0.004 0.000 0.880 98 P CB -0.037 31.667 31.700 0.006 0.000 0.791 99 D N -1.637 118.788 120.400 0.041 0.000 2.087 99 D HA -0.178 4.462 4.640 -0.001 0.000 0.192 99 D C 1.716 178.019 176.300 0.004 0.000 0.993 99 D CA 1.138 55.168 54.000 0.050 0.000 0.828 99 D CB -1.109 39.749 40.800 0.098 0.000 0.968 99 D HN 0.074 nan 8.370 nan 0.000 0.448 100 F N 1.139 121.014 119.950 -0.124 0.000 2.171 100 F HA -0.082 4.444 4.527 -0.001 0.000 0.300 100 F C 2.421 178.096 175.800 -0.209 0.000 1.090 100 F CA 1.176 59.042 58.000 -0.223 0.000 1.293 100 F CB -0.079 38.824 39.000 -0.161 0.000 1.013 100 F HN -0.198 nan 8.300 nan 0.000 0.486 101 R N 0.112 120.564 120.500 -0.080 0.000 2.120 101 R HA -0.137 4.203 4.340 -0.001 0.000 0.234 101 R C 2.293 178.533 176.300 -0.101 0.000 1.123 101 R CA 1.211 57.238 56.100 -0.123 0.000 0.975 101 R CB -0.488 29.697 30.300 -0.191 0.000 0.866 101 R HN 0.306 nan 8.270 nan 0.000 0.446 102 A N 1.015 123.777 122.820 -0.096 0.000 1.933 102 A HA -0.166 4.153 4.320 -0.001 0.000 0.218 102 A C 1.699 179.210 177.584 -0.121 0.000 1.175 102 A CA 1.574 53.598 52.037 -0.021 0.000 0.628 102 A CB -0.482 18.530 19.000 0.021 0.000 0.814 102 A HN 0.401 nan 8.150 nan 0.000 0.444 103 N N 0.258 118.693 118.700 -0.441 0.000 2.135 103 N HA -0.056 4.684 4.740 -0.001 0.000 0.186 103 N C 1.726 176.882 175.510 -0.589 0.000 1.027 103 N CA 1.296 53.836 53.050 -0.850 0.000 0.849 103 N CB -0.519 36.752 38.487 -2.028 0.000 1.002 103 N HN 0.490 nan 8.380 nan 0.000 0.425 104 L N 1.183 122.072 121.223 -0.556 0.000 2.042 104 L HA -0.190 4.150 4.340 -0.001 0.000 0.210 104 L C 1.673 178.602 176.870 0.098 0.000 1.076 104 L CA 1.203 55.937 54.840 -0.178 0.000 0.749 104 L CB -0.450 41.575 42.059 -0.057 0.000 0.893 104 L HN 0.059 nan 8.230 nan 0.000 0.432 105 D N 0.164 120.629 120.400 0.110 0.000 2.144 105 D HA -0.137 4.503 4.640 -0.001 0.000 0.199 105 D C 2.241 178.647 176.300 0.176 0.000 0.984 105 D CA 1.476 55.590 54.000 0.190 0.000 0.834 105 D CB -0.026 40.914 40.800 0.233 0.000 0.955 105 D HN 0.318 nan 8.370 nan 0.000 0.465 106 A N 0.411 123.280 122.820 0.080 0.000 1.933 106 A HA -0.164 4.156 4.320 -0.001 0.000 0.218 106 A C 2.084 179.700 177.584 0.053 0.000 1.175 106 A CA 0.885 52.828 52.037 -0.158 0.000 0.628 106 A CB -0.934 17.839 19.000 -0.378 0.000 0.814 106 A HN 0.226 nan 8.150 nan 0.000 0.444 107 F N 0.987 120.961 119.950 0.039 0.000 2.102 107 F HA -0.090 4.436 4.527 -0.001 0.000 0.298 107 F C 2.547 178.362 175.800 0.026 0.000 1.105 107 F CA 1.308 59.356 58.000 0.080 0.000 1.239 107 F CB -0.500 38.604 39.000 0.172 0.000 0.991 107 F HN 0.249 nan 8.300 nan 0.000 0.474 108 A N 0.440 123.367 122.820 0.179 0.000 1.877 108 A HA -0.081 4.238 4.320 -0.001 0.000 0.216 108 A C 2.425 180.010 177.584 0.003 0.000 1.186 108 A CA 1.916 54.007 52.037 0.089 0.000 0.620 108 A CB -1.654 17.446 19.000 0.167 0.000 0.822 108 A HN 0.523 nan 8.150 nan 0.000 0.443 109 A N -0.466 122.410 122.820 0.093 0.000 1.948 109 A HA 0.026 4.346 4.320 -0.001 0.000 0.220 109 A C 2.415 180.011 177.584 0.019 0.000 1.177 109 A CA 2.148 54.299 52.037 0.191 0.000 0.636 109 A CB -1.451 17.808 19.000 0.432 0.000 0.815 109 A HN 0.792 nan 8.150 nan 0.000 0.449 110 G N -0.106 108.491 108.800 -0.338 0.000 2.418 110 G HA2 -0.186 3.774 3.960 -0.001 0.000 0.217 110 G HA3 -0.186 3.774 3.960 -0.001 0.000 0.217 110 G C 1.527 176.158 174.900 -0.449 0.000 1.158 110 G CA 1.113 45.696 45.100 -0.862 0.000 0.771 110 G HN 0.501 nan 8.290 nan 0.000 0.545 111 I N 1.029 121.351 120.570 -0.413 0.000 2.179 111 I HA -0.178 3.992 4.170 -0.001 0.000 0.242 111 I C 2.543 178.546 176.117 -0.191 0.000 1.088 111 I CA 0.923 62.008 61.300 -0.358 0.000 1.357 111 I CB -0.257 37.525 38.000 -0.364 0.000 1.051 111 I HN 0.079 nan 8.210 nan 0.000 0.409 112 N N 1.305 119.945 118.700 -0.101 0.000 2.084 112 N HA -0.149 4.590 4.740 -0.001 0.000 0.190 112 N C 1.943 177.448 175.510 -0.008 0.000 1.030 112 N CA 1.680 54.711 53.050 -0.031 0.000 0.849 112 N CB -0.507 38.000 38.487 0.033 0.000 1.012 112 N HN 0.358 nan 8.380 nan 0.000 0.423 113 A N 0.725 123.579 122.820 0.056 0.000 1.883 113 A HA -0.225 4.095 4.320 -0.001 0.000 0.217 113 A C 2.195 179.833 177.584 0.090 0.000 1.186 113 A CA 1.440 53.583 52.037 0.177 0.000 0.624 113 A CB -1.149 18.085 19.000 0.391 0.000 0.822 113 A HN 0.437 nan 8.150 nan 0.000 0.444 114 Y N 0.633 120.779 120.300 -0.257 0.000 2.128 114 Y HA -0.116 4.433 4.550 -0.001 0.000 0.284 114 Y C 2.617 178.310 175.900 -0.345 0.000 1.154 114 Y CA 1.416 59.133 58.100 -0.639 0.000 1.149 114 Y CB -0.585 37.100 38.460 -1.291 0.000 0.976 114 Y HN 0.303 nan 8.280 nan 0.000 0.505 115 A N 0.102 122.719 122.820 -0.339 0.000 1.933 115 A HA -0.211 4.109 4.320 -0.001 0.000 0.218 115 A C 2.225 179.660 177.584 -0.248 0.000 1.175 115 A CA 1.705 53.560 52.037 -0.303 0.000 0.628 115 A CB -0.776 18.138 19.000 -0.143 0.000 0.814 115 A HN 0.554 nan 8.150 nan 0.000 0.444 116 Q N -0.146 119.567 119.800 -0.145 0.000 2.167 116 Q HA -0.151 4.189 4.340 -0.001 0.000 0.202 116 Q C 1.845 177.791 176.000 -0.088 0.000 0.970 116 Q CA 1.817 57.573 55.803 -0.078 0.000 0.855 116 Q CB -0.174 28.564 28.738 -0.001 0.000 0.911 116 Q HN 0.845 nan 8.270 nan 0.000 0.438 117 Q N -0.605 119.121 119.800 -0.123 0.000 2.398 117 Q HA 0.097 4.437 4.340 -0.001 0.000 0.204 117 Q C 0.156 176.032 176.000 -0.206 0.000 0.932 117 Q CA 0.326 56.078 55.803 -0.085 0.000 0.916 117 Q CB 0.569 29.342 28.738 0.058 0.000 1.024 117 Q HN 0.211 nan 8.270 nan 0.000 0.504 118 N N 0.692 119.142 118.700 -0.416 0.000 2.646 118 N HA 0.109 4.848 4.740 -0.001 0.000 0.303 118 N C -2.223 173.076 175.510 -0.352 0.000 1.921 118 N CA -0.793 51.986 53.050 -0.452 0.000 0.872 118 N CB 1.138 39.120 38.487 -0.841 0.000 1.327 118 N HN 0.087 nan 8.380 nan 0.000 0.492 119 P HA -0.190 nan 4.420 nan 0.000 0.217 119 P C 0.834 178.056 177.300 -0.129 0.000 1.151 119 P CA 1.292 64.298 63.100 -0.157 0.000 0.849 119 P CB 0.484 32.119 31.700 -0.108 0.000 0.787 120 D N -0.703 119.626 120.400 -0.118 0.000 2.363 120 D HA -0.081 4.559 4.640 -0.001 0.000 0.226 120 D C 0.798 177.042 176.300 -0.093 0.000 1.020 120 D CA 0.419 54.365 54.000 -0.091 0.000 0.892 120 D CB -0.096 40.661 40.800 -0.073 0.000 0.900 120 D HN 0.065 nan 8.370 nan 0.000 0.531 121 D N -0.082 120.246 120.400 -0.120 0.000 2.354 121 D HA 0.036 4.676 4.640 -0.001 0.000 0.209 121 D C 0.625 176.882 176.300 -0.072 0.000 1.015 121 D CA -0.040 53.907 54.000 -0.088 0.000 0.867 121 D CB 1.088 41.843 40.800 -0.074 0.000 0.933 121 D HN 0.237 nan 8.370 nan 0.000 0.520 122 I N 1.175 121.689 120.570 -0.092 0.000 2.365 122 I HA 0.059 4.229 4.170 -0.001 0.000 0.291 122 I C 0.954 177.022 176.117 -0.081 0.000 1.004 122 I CA -0.631 60.619 61.300 -0.084 0.000 1.311 122 I CB 1.127 39.070 38.000 -0.094 0.000 1.401 122 I HN -0.254 nan 8.210 nan 0.000 0.491 123 S N 7.795 123.444 115.700 -0.084 0.000 2.558 123 S HA 0.065 4.534 4.470 -0.001 0.000 0.293 123 S C -1.319 173.247 174.600 -0.056 0.000 1.292 123 S CA -0.630 57.525 58.200 -0.075 0.000 1.063 123 S CB 0.584 63.728 63.200 -0.093 0.000 0.831 123 S HN 0.398 nan 8.310 nan 0.000 0.499 124 P HA -0.125 nan 4.420 nan 0.000 0.216 124 P C 0.987 178.286 177.300 -0.001 0.000 1.150 124 P CA 1.133 64.216 63.100 -0.028 0.000 0.837 124 P CB -0.034 31.651 31.700 -0.024 0.000 0.786 125 D N -0.409 120.007 120.400 0.027 0.000 2.263 125 D HA -0.098 4.541 4.640 -0.001 0.000 0.208 125 D C 1.445 177.895 176.300 0.250 0.000 0.971 125 D CA 1.340 55.420 54.000 0.133 0.000 0.867 125 D CB -0.592 40.280 40.800 0.120 0.000 0.929 125 D HN 0.237 nan 8.370 nan 0.000 0.492 126 V N -3.361 116.613 119.914 0.100 0.000 3.528 126 V HA 0.302 4.421 4.120 -0.001 0.000 0.294 126 V C 2.052 178.130 176.094 -0.028 0.000 1.404 126 V CA -0.424 61.944 62.300 0.114 0.000 1.065 126 V CB -0.227 31.612 31.823 0.026 0.000 0.904 126 V HN -0.166 nan 8.190 nan 0.000 0.435 127 R N 1.913 122.379 120.500 -0.057 0.000 2.127 127 R HA -0.177 4.163 4.340 -0.001 0.000 0.238 127 R C 2.421 178.646 176.300 -0.126 0.000 1.134 127 R CA 2.143 58.192 56.100 -0.085 0.000 0.975 127 R CB -0.378 29.878 30.300 -0.074 0.000 0.865 127 R HN 0.879 nan 8.270 nan 0.000 0.447 128 Q N 0.367 120.055 119.800 -0.187 0.000 2.297 128 Q HA -0.112 4.228 4.340 -0.001 0.000 0.208 128 Q C 1.700 177.478 176.000 -0.370 0.000 0.981 128 Q CA 1.545 57.179 55.803 -0.282 0.000 0.876 128 Q CB -0.215 28.287 28.738 -0.394 0.000 0.921 128 Q HN 0.175 nan 8.270 nan 0.000 0.446 129 V N 1.370 121.057 119.914 -0.379 0.000 2.515 129 V HA -0.105 4.014 4.120 -0.001 0.000 0.250 129 V C 1.529 177.582 176.094 -0.069 0.000 1.058 129 V CA 0.803 62.949 62.300 -0.255 0.000 1.064 129 V CB -0.506 31.272 31.823 -0.076 0.000 0.675 129 V HN 0.275 nan 8.190 nan 0.000 0.461 130 L N 2.295 123.475 121.223 -0.071 0.000 2.461 130 L HA 0.195 4.535 4.340 -0.001 0.000 0.272 130 L C -1.545 175.314 176.870 -0.019 0.000 1.197 130 L CA -1.054 53.767 54.840 -0.031 0.000 0.836 130 L CB -0.044 41.987 42.059 -0.047 0.000 1.105 130 L HN 0.176 nan 8.230 nan 0.000 0.477 131 P HA 0.277 nan 4.420 nan 0.000 0.281 131 P C -0.896 176.432 177.300 0.046 0.000 1.264 131 P CA -0.437 62.676 63.100 0.021 0.000 0.824 131 P CB 1.666 33.384 31.700 0.030 0.000 1.092 132 V N -1.341 118.615 119.914 0.069 0.000 3.096 132 V HA 0.843 4.962 4.120 -0.001 0.000 0.319 132 V C 0.109 176.248 176.094 0.075 0.000 1.082 132 V CA -0.582 61.788 62.300 0.116 0.000 1.022 132 V CB 0.975 32.950 31.823 0.253 0.000 1.103 132 V HN 0.867 nan 8.190 nan 0.000 0.455 133 S N -0.049 115.670 115.700 0.032 0.000 2.697 133 S HA 0.689 5.158 4.470 -0.001 0.000 0.289 133 S C 0.896 175.452 174.600 -0.073 0.000 1.149 133 S CA -0.140 58.040 58.200 -0.033 0.000 0.850 133 S CB 1.056 64.183 63.200 -0.122 0.000 1.151 133 S HN 1.500 nan 8.310 nan 0.000 0.491 134 G N 0.257 108.982 108.800 -0.126 0.000 2.432 134 G HA2 0.094 4.054 3.960 -0.001 0.000 0.219 134 G HA3 0.094 4.054 3.960 -0.001 0.000 0.219 134 G C 1.398 176.141 174.900 -0.263 0.000 1.135 134 G CA 0.825 45.891 45.100 -0.057 0.000 0.767 134 G HN 1.144 nan 8.290 nan 0.000 0.550 135 A N 1.191 123.602 122.820 -0.682 0.000 1.902 135 A HA -0.057 4.262 4.320 -0.001 0.000 0.217 135 A C 2.082 179.542 177.584 -0.207 0.000 1.181 135 A CA 1.952 53.699 52.037 -0.485 0.000 0.623 135 A CB -0.359 18.341 19.000 -0.500 0.000 0.818 135 A HN 0.281 nan 8.150 nan 0.000 0.443 136 D N -0.089 120.171 120.400 -0.235 0.000 2.123 136 D HA -0.117 4.522 4.640 -0.001 0.000 0.196 136 D C 2.116 178.106 176.300 -0.517 0.000 0.992 136 D CA 1.576 55.384 54.000 -0.319 0.000 0.833 136 D CB -0.387 40.227 40.800 -0.309 0.000 0.954 136 D HN 0.249 nan 8.370 nan 0.000 0.455 137 V N 1.012 120.703 119.914 -0.372 0.000 2.295 137 V HA -0.213 3.906 4.120 -0.001 0.000 0.246 137 V C 2.755 178.868 176.094 0.032 0.000 1.049 137 V CA 1.080 63.279 62.300 -0.169 0.000 1.024 137 V CB -0.584 31.317 31.823 0.131 0.000 0.648 137 V HN 0.042 nan 8.190 nan 0.000 0.447 138 V N 0.353 120.328 119.914 0.101 0.000 2.332 138 V HA -0.282 3.837 4.120 -0.001 0.000 0.248 138 V C 2.731 178.961 176.094 0.226 0.000 1.055 138 V CA 2.105 64.550 62.300 0.241 0.000 1.038 138 V CB -1.212 30.805 31.823 0.324 0.000 0.651 138 V HN 0.564 nan 8.190 nan 0.000 0.450 139 A N -0.343 122.538 122.820 0.101 0.000 1.883 139 A HA -0.322 3.997 4.320 -0.001 0.000 0.217 139 A C 2.138 179.800 177.584 0.130 0.000 1.186 139 A CA 2.455 54.549 52.037 0.094 0.000 0.624 139 A CB -0.906 18.096 19.000 0.005 0.000 0.822 139 A HN 0.748 nan 8.150 nan 0.000 0.444 140 H N 0.102 119.170 119.070 -0.003 0.000 2.319 140 H HA -0.001 4.554 4.556 -0.001 0.000 0.299 140 H C 2.157 177.591 175.328 0.176 0.000 1.092 140 H CA 2.153 58.251 56.048 0.084 0.000 1.302 140 H CB -0.442 29.393 29.762 0.122 0.000 1.373 140 H HN 0.371 nan 8.280 nan 0.000 0.497 141 A N -0.253 122.610 122.820 0.072 0.000 1.940 141 A HA -0.251 4.068 4.320 -0.001 0.000 0.219 141 A C 2.320 180.045 177.584 0.235 0.000 1.176 141 A CA 2.060 54.170 52.037 0.121 0.000 0.631 141 A CB -1.068 18.085 19.000 0.256 0.000 0.814 141 A HN 0.745 nan 8.150 nan 0.000 0.446 142 H N -0.220 118.974 119.070 0.206 0.000 2.389 142 H HA -0.052 4.504 4.556 -0.001 0.000 0.299 142 H C 2.131 177.579 175.328 0.200 0.000 1.081 142 H CA 1.900 58.101 56.048 0.254 0.000 1.345 142 H CB -0.242 29.537 29.762 0.027 0.000 1.393 142 H HN 0.475 nan 8.280 nan 0.000 0.520 143 R N -0.235 120.253 120.500 -0.020 0.000 2.062 143 R HA -0.112 4.227 4.340 -0.001 0.000 0.231 143 R C 2.254 178.538 176.300 -0.026 0.000 1.136 143 R CA 1.536 57.609 56.100 -0.045 0.000 0.948 143 R CB -0.535 29.748 30.300 -0.028 0.000 0.845 143 R HN 0.400 nan 8.270 nan 0.000 0.430 144 L N 1.002 122.158 121.223 -0.112 0.000 1.990 144 L HA -0.245 4.094 4.340 -0.001 0.000 0.213 144 L C 2.294 179.298 176.870 0.224 0.000 1.072 144 L CA 1.948 56.754 54.840 -0.057 0.000 0.755 144 L CB -0.459 41.572 42.059 -0.046 0.000 0.889 144 L HN 0.262 nan 8.230 nan 0.000 0.432 145 M N -0.452 119.306 119.600 0.263 0.000 2.091 145 M HA -0.174 4.306 4.480 -0.001 0.000 0.259 145 M C 2.154 178.524 176.300 0.116 0.000 1.076 145 M CA 2.158 57.617 55.300 0.266 0.000 1.111 145 M CB -1.814 30.930 32.600 0.240 0.000 1.291 145 M HN 0.375 nan 8.290 nan 0.000 0.417 146 N N -0.947 117.758 118.700 0.008 0.000 2.300 146 N HA -0.036 4.703 4.740 -0.001 0.000 0.179 146 N C 0.633 175.736 175.510 -0.678 0.000 1.016 146 N CA 0.787 53.637 53.050 -0.332 0.000 0.876 146 N CB 0.004 38.247 38.487 -0.407 0.000 0.979 146 N HN 0.190 nan 8.380 nan 0.000 0.432 147 F N -0.284 119.668 119.950 0.003 0.000 2.791 147 F HA 0.441 4.967 4.527 -0.001 0.000 0.308 147 F C 0.849 176.729 175.800 0.134 0.000 1.138 147 F CA -0.164 57.942 58.000 0.177 0.000 1.294 147 F CB 0.383 39.474 39.000 0.151 0.000 0.975 147 F HN -0.051 nan 8.300 nan 0.000 0.512 148 L N -2.691 118.558 121.223 0.043 0.000 2.437 148 L HA 0.087 4.426 4.340 -0.001 0.000 0.188 148 L C 1.442 178.259 176.870 -0.088 0.000 1.123 148 L CA 0.242 54.989 54.840 -0.155 0.000 0.981 148 L CB -0.141 41.658 42.059 -0.433 0.000 1.935 148 L HN -0.001 nan 8.230 nan 0.000 0.494 149 Y N 0.196 120.515 120.300 0.033 0.000 2.109 149 Y HA -0.180 4.369 4.550 -0.001 0.000 0.281 149 Y C 2.441 178.327 175.900 -0.023 0.000 1.113 149 Y CA 1.746 59.882 58.100 0.059 0.000 1.098 149 Y CB -0.204 38.273 38.460 0.028 0.000 0.996 149 Y HN -0.184 nan 8.280 nan 0.000 0.485 150 V N -0.370 119.601 119.914 0.095 0.000 2.270 150 V HA -0.124 3.996 4.120 -0.001 0.000 0.245 150 V C 0.758 176.854 176.094 0.003 0.000 1.043 150 V CA 1.294 63.590 62.300 -0.007 0.000 1.014 150 V CB -0.948 30.822 31.823 -0.088 0.000 0.645 150 V HN 0.328 nan 8.190 nan 0.000 0.447 151 A N -0.316 122.495 122.820 -0.015 0.000 2.386 151 A HA 0.770 5.090 4.320 -0.001 0.000 0.311 151 A C -0.310 177.400 177.584 0.210 0.000 1.068 151 A CA 0.093 52.200 52.037 0.115 0.000 0.743 151 A CB 1.754 20.844 19.000 0.151 0.000 1.258 151 A HN 0.450 nan 8.150 nan 0.000 0.429 152 S N 1.205 116.900 115.700 -0.008 0.000 2.588 152 S HA 0.720 5.189 4.470 -0.001 0.000 0.275 152 S C -2.706 171.142 174.600 -1.254 0.000 1.130 152 S CA -1.243 56.639 58.200 -0.530 0.000 0.855 152 S CB 1.615 64.607 63.200 -0.348 0.000 1.116 152 S HN 0.241 nan 8.310 nan 0.000 0.472 153 P HA 0.057 nan 4.420 nan 0.000 0.216 153 P C 1.755 178.662 177.300 -0.655 0.000 1.153 153 P CA 1.731 63.974 63.100 -1.429 0.000 0.848 153 P CB -0.399 30.675 31.700 -1.043 0.000 0.787 154 G N 0.084 108.597 108.800 -0.479 0.000 2.446 154 G HA2 -0.270 3.689 3.960 -0.001 0.000 0.217 154 G HA3 -0.270 3.689 3.960 -0.001 0.000 0.217 154 G C 1.691 176.459 174.900 -0.219 0.000 1.168 154 G CA 0.717 45.651 45.100 -0.276 0.000 0.771 154 G HN 0.211 nan 8.290 nan 0.000 0.551 155 R N -0.564 119.800 120.500 -0.227 0.000 2.066 155 R HA -0.014 4.325 4.340 -0.001 0.000 0.232 155 R C 2.909 179.138 176.300 -0.118 0.000 1.131 155 R CA 1.644 57.662 56.100 -0.137 0.000 0.955 155 R CB -0.680 29.563 30.300 -0.095 0.000 0.851 155 R HN 0.265 nan 8.270 nan 0.000 0.432 156 T N 1.413 115.871 114.554 -0.160 0.000 2.788 156 T HA -0.045 4.304 4.350 -0.001 0.000 0.268 156 T C 1.657 176.309 174.700 -0.080 0.000 1.044 156 T CA 0.973 63.027 62.100 -0.077 0.000 1.139 156 T CB -0.013 68.841 68.868 -0.023 0.000 0.867 156 T HN 0.133 nan 8.240 nan 0.000 0.454 157 L N 0.107 121.245 121.223 -0.142 0.000 2.492 157 L HA 0.231 4.570 4.340 -0.001 0.000 0.223 157 L C 2.056 178.892 176.870 -0.057 0.000 1.132 157 L CA 0.440 55.235 54.840 -0.075 0.000 0.850 157 L CB -0.473 41.527 42.059 -0.098 0.000 0.966 157 L HN 0.467 nan 8.230 nan 0.000 0.454 158 G N 0.339 109.095 108.800 -0.074 0.000 2.168 158 G HA2 -0.319 3.640 3.960 -0.001 0.000 0.263 158 G HA3 -0.319 3.640 3.960 -0.001 0.000 0.263 158 G C 0.728 175.593 174.900 -0.059 0.000 0.977 158 G CA 0.656 45.722 45.100 -0.057 0.000 0.659 158 G HN 0.493 nan 8.290 nan 0.000 0.533 159 E N -0.064 120.091 120.200 -0.076 0.000 2.371 159 E HA 0.399 4.749 4.350 -0.001 0.000 0.194 159 E C 1.466 178.021 176.600 -0.076 0.000 1.012 159 E CA 0.423 56.780 56.400 -0.071 0.000 0.860 159 E CB 0.142 29.796 29.700 -0.078 0.000 0.811 159 E HN 1.603 nan 8.360 nan 0.000 0.502 160 G N 1.558 110.306 108.800 -0.088 0.000 2.705 160 G HA2 -0.164 3.796 3.960 -0.001 0.000 0.686 160 G HA3 -0.164 3.796 3.960 -0.001 0.000 0.686 160 G C -1.144 173.696 174.900 -0.100 0.000 1.285 160 G CA -0.734 44.317 45.100 -0.081 0.000 0.800 160 G HN 0.021 nan 8.290 nan 0.000 0.611 161 D N 2.069 122.415 120.400 -0.089 0.000 2.255 161 D HA 0.523 5.162 4.640 -0.001 0.000 0.249 161 D C -1.265 174.994 176.300 -0.067 0.000 1.078 161 D CA -0.492 53.450 54.000 -0.097 0.000 0.896 161 D CB 1.473 42.225 40.800 -0.081 0.000 1.194 161 D HN 0.392 nan 8.370 nan 0.000 0.429 162 P HA 0.155 nan 4.420 nan 0.000 0.272 162 P C -2.180 175.105 177.300 -0.025 0.000 1.230 162 P CA -1.166 61.903 63.100 -0.053 0.000 0.788 162 P CB 0.492 32.153 31.700 -0.065 0.000 0.949 163 P HA -0.210 nan 4.420 nan 0.000 0.216 163 P C 1.100 178.422 177.300 0.036 0.000 1.154 163 P CA 1.563 64.664 63.100 0.002 0.000 0.865 163 P CB -0.077 31.620 31.700 -0.004 0.000 0.789 164 D N -1.149 119.259 120.400 0.013 0.000 2.172 164 D HA -0.179 4.460 4.640 -0.001 0.000 0.196 164 D C 1.743 178.079 176.300 0.061 0.000 0.999 164 D CA 1.220 55.223 54.000 0.005 0.000 0.856 164 D CB -0.348 40.399 40.800 -0.089 0.000 0.934 164 D HN 0.172 nan 8.370 nan 0.000 0.453 165 L N -0.073 121.192 121.223 0.071 0.000 2.362 165 L HA 0.286 4.626 4.340 -0.001 0.000 0.204 165 L C 2.062 179.066 176.870 0.223 0.000 1.060 165 L CA 1.032 55.958 54.840 0.143 0.000 0.827 165 L CB -0.569 41.503 42.059 0.022 0.000 1.027 165 L HN -0.096 nan 8.230 nan 0.000 0.474 166 A N -0.787 122.098 122.820 0.108 0.000 1.902 166 A HA -0.148 4.172 4.320 -0.001 0.000 0.217 166 A C 0.672 178.312 177.584 0.093 0.000 1.181 166 A CA 1.270 53.358 52.037 0.085 0.000 0.623 166 A CB -0.999 18.014 19.000 0.022 0.000 0.818 166 A HN 0.495 nan 8.150 nan 0.000 0.443 167 D N 1.549 121.983 120.400 0.058 0.000 2.356 167 D HA 0.293 4.932 4.640 -0.001 0.000 0.272 167 D C -0.138 176.207 176.300 0.074 0.000 1.337 167 D CA 0.807 54.759 54.000 -0.081 0.000 0.970 167 D CB 0.043 40.708 40.800 -0.225 0.000 1.092 167 D HN 0.507 nan 8.370 nan 0.000 0.516 168 Q N 0.687 120.551 119.800 0.107 0.000 2.359 168 Q HA 0.753 5.092 4.340 -0.001 0.000 0.274 168 Q C -0.083 176.073 176.000 0.259 0.000 1.074 168 Q CA -1.077 54.861 55.803 0.225 0.000 0.810 168 Q CB 2.954 31.843 28.738 0.251 0.000 1.342 168 Q HN 0.472 nan 8.270 nan 0.000 0.427 169 G N 0.313 109.286 108.800 0.288 0.000 2.451 169 G HA2 0.663 4.622 3.960 -0.001 0.000 0.292 169 G HA3 0.663 4.622 3.960 -0.001 0.000 0.292 169 G C -1.471 173.434 174.900 0.009 0.000 1.427 169 G CA -0.447 44.782 45.100 0.215 0.000 0.792 169 G HN 0.486 nan 8.290 nan 0.000 0.498 170 S N -0.724 114.860 115.700 -0.194 0.000 2.633 170 S HA 0.585 5.055 4.470 -0.001 0.000 0.271 170 S C -1.583 172.726 174.600 -0.484 0.000 1.112 170 S CA -0.994 56.862 58.200 -0.572 0.000 0.828 170 S CB 1.777 64.837 63.200 -0.233 0.000 1.086 170 S HN 0.714 nan 8.310 nan 0.000 0.461 171 N N 1.486 119.819 118.700 -0.612 0.000 2.269 171 N HA 0.750 5.489 4.740 -0.001 0.000 0.304 171 N C -1.322 174.026 175.510 -0.271 0.000 1.072 171 N CA -0.572 52.186 53.050 -0.488 0.000 0.802 171 N CB 2.021 39.941 38.487 -0.945 0.000 1.348 171 N HN 0.755 nan 8.380 nan 0.000 0.484 172 S N 0.235 115.874 115.700 -0.102 0.000 2.614 172 S HA 0.632 5.101 4.470 -0.001 0.000 0.275 172 S C -1.700 173.091 174.600 0.318 0.000 1.161 172 S CA -0.896 57.363 58.200 0.098 0.000 0.969 172 S CB 1.234 64.547 63.200 0.188 0.000 1.059 172 S HN 0.427 nan 8.310 nan 0.000 0.482 173 W N 1.348 122.812 121.300 0.273 0.000 2.883 173 W HA 0.783 5.443 4.660 -0.001 0.000 0.335 173 W C -0.631 176.088 176.519 0.333 0.000 1.083 173 W CA -1.223 56.319 57.345 0.329 0.000 1.233 173 W CB 2.186 31.863 29.460 0.363 0.000 1.412 173 W HN 1.078 nan 8.180 nan 0.000 0.490 174 A N 2.860 125.975 122.820 0.491 0.000 2.446 174 A HA 0.711 5.030 4.320 -0.001 0.000 0.282 174 A C -1.624 176.079 177.584 0.199 0.000 1.102 174 A CA -0.517 51.687 52.037 0.279 0.000 0.737 174 A CB 0.957 20.093 19.000 0.227 0.000 1.212 174 A HN 0.240 nan 8.150 nan 0.000 0.434 175 V N 2.239 122.186 119.914 0.055 0.000 2.398 175 V HA 0.670 4.790 4.120 -0.001 0.000 0.286 175 V C 0.883 176.960 176.094 -0.028 0.000 1.026 175 V CA -0.282 62.020 62.300 0.003 0.000 0.868 175 V CB 1.316 33.050 31.823 -0.147 0.000 0.982 175 V HN 1.184 nan 8.190 nan 0.000 0.443 176 A N 6.358 129.180 122.820 0.004 0.000 2.366 176 A HA 0.537 4.856 4.320 -0.001 0.000 0.249 176 A C -1.372 176.188 177.584 -0.040 0.000 1.084 176 A CA -1.062 50.960 52.037 -0.024 0.000 0.794 176 A CB 0.041 19.034 19.000 -0.013 0.000 1.034 176 A HN 0.695 nan 8.150 nan 0.000 0.491 177 P HA -0.182 nan 4.420 nan 0.000 0.216 177 P C 1.637 178.914 177.300 -0.038 0.000 1.157 177 P CA 2.207 65.281 63.100 -0.043 0.000 0.880 177 P CB 0.026 31.705 31.700 -0.036 0.000 0.791 178 G N -0.535 108.247 108.800 -0.029 0.000 2.501 178 G HA2 -0.272 3.687 3.960 -0.001 0.000 0.220 178 G HA3 -0.272 3.687 3.960 -0.001 0.000 0.220 178 G C 1.454 176.340 174.900 -0.024 0.000 1.114 178 G CA 0.631 45.717 45.100 -0.023 0.000 0.757 178 G HN 0.318 nan 8.290 nan 0.000 0.559 179 K N 0.393 120.776 120.400 -0.027 0.000 2.374 179 K HA 0.106 4.426 4.320 -0.001 0.000 0.196 179 K C 0.685 177.246 176.600 -0.064 0.000 1.023 179 K CA 0.340 56.606 56.287 -0.035 0.000 1.103 179 K CB 0.211 32.703 32.500 -0.014 0.000 0.848 179 K HN 0.395 nan 8.250 nan 0.000 0.528 180 T N -4.264 110.249 114.554 -0.067 0.000 2.949 180 T HA 0.539 4.889 4.350 -0.001 0.000 0.287 180 T C 1.084 175.747 174.700 -0.062 0.000 1.034 180 T CA -0.530 61.521 62.100 -0.083 0.000 1.018 180 T CB 1.828 70.633 68.868 -0.105 0.000 1.135 180 T HN -0.033 nan 8.240 nan 0.000 0.532 181 A N 1.327 124.109 122.820 -0.063 0.000 1.872 181 A HA 0.029 4.349 4.320 -0.001 0.000 0.214 181 A C 2.000 179.559 177.584 -0.042 0.000 1.187 181 A CA 0.838 52.846 52.037 -0.049 0.000 0.614 181 A CB -0.790 18.181 19.000 -0.047 0.000 0.826 181 A HN 0.812 nan 8.150 nan 0.000 0.442 182 N N -0.779 117.894 118.700 -0.045 0.000 2.398 182 N HA 0.166 4.905 4.740 -0.001 0.000 0.188 182 N C 1.033 176.524 175.510 -0.032 0.000 1.122 182 N CA 1.001 54.030 53.050 -0.036 0.000 0.866 182 N CB 0.429 38.894 38.487 -0.036 0.000 0.970 182 N HN 0.683 nan 8.380 nan 0.000 0.462 183 G N 0.788 109.565 108.800 -0.038 0.000 2.136 183 G HA2 -0.232 3.727 3.960 -0.001 0.000 0.242 183 G HA3 -0.232 3.727 3.960 -0.001 0.000 0.242 183 G C -0.420 174.463 174.900 -0.028 0.000 0.989 183 G CA -0.350 44.731 45.100 -0.032 0.000 0.682 183 G HN 0.301 nan 8.290 nan 0.000 0.522 184 N N 0.494 119.173 118.700 -0.035 0.000 2.342 184 N HA 0.638 5.377 4.740 -0.001 0.000 0.293 184 N C 0.399 175.892 175.510 -0.029 0.000 1.026 184 N CA 0.269 53.310 53.050 -0.014 0.000 0.857 184 N CB 1.810 40.296 38.487 -0.003 0.000 1.256 184 N HN 0.649 nan 8.380 nan 0.000 0.484 185 A N 2.336 125.160 122.820 0.006 0.000 2.531 185 A HA 0.253 4.573 4.320 -0.001 0.000 0.236 185 A C 0.147 177.749 177.584 0.030 0.000 1.062 185 A CA 0.238 52.272 52.037 -0.005 0.000 0.760 185 A CB -0.065 18.907 19.000 -0.047 0.000 0.995 185 A HN 0.644 nan 8.150 nan 0.000 0.501 186 L N 1.749 122.875 121.223 -0.162 0.000 2.334 186 L HA 0.708 5.048 4.340 -0.001 0.000 0.273 186 L C -0.575 176.168 176.870 -0.212 0.000 1.013 186 L CA -0.845 53.742 54.840 -0.421 0.000 0.816 186 L CB 1.669 43.050 42.059 -1.130 0.000 1.278 186 L HN 0.685 nan 8.230 nan 0.000 0.431 187 L N 3.240 124.420 121.223 -0.072 0.000 2.455 187 L HA 0.613 4.952 4.340 -0.001 0.000 0.264 187 L C -1.580 175.512 176.870 0.371 0.000 0.968 187 L CA -0.445 54.532 54.840 0.228 0.000 0.827 187 L CB 2.073 44.304 42.059 0.288 0.000 1.317 187 L HN 0.455 nan 8.230 nan 0.000 0.407 188 L N 3.931 125.437 121.223 0.470 0.000 2.325 188 L HA 0.593 4.932 4.340 -0.001 0.000 0.281 188 L C -1.034 175.932 176.870 0.160 0.000 1.004 188 L CA 0.103 55.116 54.840 0.288 0.000 0.823 188 L CB 1.669 43.860 42.059 0.220 0.000 1.236 188 L HN 0.715 nan 8.230 nan 0.000 0.415 189 Q N 4.792 124.648 119.800 0.093 0.000 2.314 189 Q HA 0.377 4.716 4.340 -0.001 0.000 0.259 189 Q C -0.570 175.352 176.000 -0.129 0.000 0.951 189 Q CA -0.036 55.864 55.803 0.163 0.000 0.909 189 Q CB 1.117 30.094 28.738 0.399 0.000 1.236 189 Q HN 0.742 nan 8.270 nan 0.000 0.444 190 N N 2.927 121.515 118.700 -0.187 0.000 2.639 190 N HA 0.159 4.898 4.740 -0.001 0.000 0.265 190 N C -2.752 172.424 175.510 -0.558 0.000 1.689 190 N CA -1.236 51.578 53.050 -0.394 0.000 0.813 190 N CB 1.057 39.287 38.487 -0.428 0.000 1.353 190 N HN 0.344 nan 8.380 nan 0.000 0.510 191 P HA 0.082 nan 4.420 nan 0.000 0.275 191 P C -1.158 175.942 177.300 -0.334 0.000 1.227 191 P CA 0.443 63.246 63.100 -0.495 0.000 0.781 191 P CB 0.806 32.055 31.700 -0.753 0.000 0.906 192 H N 2.372 121.345 119.070 -0.162 0.000 2.718 192 H HA 0.473 5.028 4.556 -0.001 0.000 0.295 192 H C 0.064 175.348 175.328 -0.074 0.000 1.051 192 H CA -0.691 55.206 56.048 -0.251 0.000 1.260 192 H CB 0.712 30.279 29.762 -0.325 0.000 1.403 192 H HN 0.235 nan 8.280 nan 0.000 0.488 193 L N 0.601 121.898 121.223 0.125 0.000 2.250 193 L HA 0.368 4.707 4.340 -0.001 0.000 0.252 193 L C 0.445 177.560 176.870 0.408 0.000 1.054 193 L CA -1.173 53.814 54.840 0.245 0.000 0.856 193 L CB 1.969 44.002 42.059 -0.043 0.000 1.443 193 L HN 0.403 nan 8.230 nan 0.000 0.427 194 S N -0.814 115.163 115.700 0.462 0.000 2.558 194 S HA -0.045 4.425 4.470 -0.001 0.000 0.287 194 S C 0.036 174.958 174.600 0.536 0.000 1.321 194 S CA 0.198 58.661 58.200 0.438 0.000 1.048 194 S CB 0.216 63.607 63.200 0.319 0.000 0.844 194 S HN 0.457 nan 8.310 nan 0.000 0.512 195 W N 2.049 123.474 121.300 0.209 0.000 3.290 195 W HA 0.192 4.851 4.660 -0.001 0.000 0.287 195 W C 2.202 178.778 176.519 0.094 0.000 1.288 195 W CA 0.471 57.984 57.345 0.281 0.000 1.725 195 W CB -0.681 28.936 29.460 0.262 0.000 1.103 195 W HN 0.949 nan 8.180 nan 0.000 0.670 196 T N -6.334 108.359 114.554 0.232 0.000 2.964 196 T HA 0.109 4.459 4.350 -0.001 0.000 0.250 196 T C 0.863 175.524 174.700 -0.064 0.000 0.982 196 T CA 0.119 62.262 62.100 0.070 0.000 0.959 196 T CB -0.257 68.660 68.868 0.082 0.000 1.141 196 T HN -0.293 nan 8.240 nan 0.000 0.494 197 T N 4.423 118.927 114.554 -0.084 0.000 2.831 197 T HA 0.128 4.477 4.350 -0.001 0.000 0.291 197 T C 0.961 175.428 174.700 -0.388 0.000 0.981 197 T CA 0.428 62.338 62.100 -0.317 0.000 1.174 197 T CB 0.774 69.380 68.868 -0.436 0.000 0.929 197 T HN 0.542 nan 8.240 nan 0.000 0.532 198 D N 3.688 123.847 120.400 -0.401 0.000 2.088 198 D HA -0.270 4.370 4.640 -0.001 0.000 0.191 198 D C 1.720 177.876 176.300 -0.241 0.000 0.992 198 D CA 1.729 55.557 54.000 -0.288 0.000 0.831 198 D CB -0.864 39.823 40.800 -0.189 0.000 0.973 198 D HN 0.826 nan 8.370 nan 0.000 0.447 199 Y N -1.428 118.813 120.300 -0.097 0.000 2.651 199 Y HA 0.101 4.650 4.550 -0.001 0.000 0.293 199 Y C 1.513 177.458 175.900 0.074 0.000 1.151 199 Y CA 0.102 58.200 58.100 -0.003 0.000 1.362 199 Y CB -1.184 37.282 38.460 0.010 0.000 0.973 199 Y HN 0.073 nan 8.280 nan 0.000 0.561 200 F N 0.287 120.099 119.950 -0.229 0.000 2.653 200 F HA 0.191 4.718 4.527 -0.001 0.000 0.304 200 F C 0.462 176.066 175.800 -0.325 0.000 1.092 200 F CA -0.627 57.259 58.000 -0.191 0.000 1.279 200 F CB 0.396 39.316 39.000 -0.134 0.000 1.044 200 F HN -0.137 nan 8.300 nan 0.000 0.564 201 T N 0.800 115.255 114.554 -0.165 0.000 2.779 201 T HA 0.076 4.426 4.350 -0.001 0.000 0.296 201 T C -0.601 173.938 174.700 -0.268 0.000 0.938 201 T CA 0.248 62.176 62.100 -0.286 0.000 1.119 201 T CB 0.088 68.700 68.868 -0.427 0.000 0.891 201 T HN 0.005 nan 8.240 nan 0.000 0.526 202 Y N 2.128 122.521 120.300 0.155 0.000 2.299 202 Y HA 0.404 4.953 4.550 -0.001 0.000 0.326 202 Y C -0.090 175.917 175.900 0.179 0.000 1.164 202 Y CA -0.718 57.470 58.100 0.146 0.000 1.234 202 Y CB 0.805 39.334 38.460 0.115 0.000 1.219 202 Y HN 0.583 nan 8.280 nan 0.000 0.497 203 Y N 3.137 123.505 120.300 0.112 0.000 2.376 203 Y HA 0.304 4.854 4.550 -0.001 0.000 0.340 203 Y C -0.606 175.254 175.900 -0.068 0.000 0.965 203 Y CA -1.660 56.486 58.100 0.077 0.000 1.078 203 Y CB 1.262 39.764 38.460 0.070 0.000 1.193 203 Y HN 0.646 nan 8.280 nan 0.000 0.452 204 E N 4.465 124.353 120.200 -0.521 0.000 2.249 204 E HA 0.736 5.085 4.350 -0.001 0.000 0.280 204 E C -1.439 174.603 176.600 -0.930 0.000 1.016 204 E CA -0.416 55.524 56.400 -0.766 0.000 0.830 204 E CB 0.872 30.234 29.700 -0.564 0.000 1.081 204 E HN 0.825 nan 8.360 nan 0.000 0.395 205 A N 4.244 126.528 122.820 -0.893 0.000 2.588 205 A HA 0.458 4.777 4.320 -0.001 0.000 0.290 205 A C -1.813 175.175 177.584 -0.993 0.000 1.136 205 A CA -0.617 50.924 52.037 -0.826 0.000 0.681 205 A CB 1.571 20.303 19.000 -0.447 0.000 1.282 205 A HN 0.818 nan 8.150 nan 0.000 0.421 206 H N 0.006 118.523 119.070 -0.923 0.000 2.877 206 H HA 0.602 5.157 4.556 -0.001 0.000 0.347 206 H C -2.161 172.836 175.328 -0.553 0.000 1.042 206 H CA -0.650 54.956 56.048 -0.737 0.000 1.276 206 H CB 1.004 30.405 29.762 -0.602 0.000 1.681 206 H HN 0.452 nan 8.280 nan 0.000 0.521 207 L N 5.534 126.533 121.223 -0.373 0.000 2.341 207 L HA 0.474 4.813 4.340 -0.001 0.000 0.278 207 L C -0.848 175.786 176.870 -0.393 0.000 1.005 207 L CA -0.697 53.900 54.840 -0.405 0.000 0.818 207 L CB 1.904 43.822 42.059 -0.235 0.000 1.259 207 L HN 0.379 nan 8.230 nan 0.000 0.418 208 V N 1.383 120.983 119.914 -0.522 0.000 2.686 208 V HA 0.830 4.949 4.120 -0.001 0.000 0.306 208 V C -0.130 175.784 176.094 -0.300 0.000 1.065 208 V CA -0.453 61.612 62.300 -0.392 0.000 0.894 208 V CB 2.189 33.787 31.823 -0.375 0.000 1.004 208 V HN 0.902 nan 8.190 nan 0.000 0.424 209 T N 1.950 116.259 114.554 -0.408 0.000 2.804 209 T HA 0.572 4.922 4.350 -0.001 0.000 0.290 209 T C -2.636 171.957 174.700 -0.178 0.000 1.099 209 T CA -1.950 59.951 62.100 -0.332 0.000 1.011 209 T CB 2.373 70.867 68.868 -0.624 0.000 1.291 209 T HN 0.301 nan 8.240 nan 0.000 0.523 210 P HA 0.186 nan 4.420 nan 0.000 0.233 210 P C 0.425 177.720 177.300 -0.008 0.000 1.167 210 P CA 0.578 63.647 63.100 -0.051 0.000 0.770 210 P CB 0.120 31.797 31.700 -0.038 0.000 0.837 211 D N -1.686 118.708 120.400 -0.009 0.000 2.417 211 D HA 0.151 4.791 4.640 -0.001 0.000 0.207 211 D C 0.407 176.851 176.300 0.240 0.000 1.075 211 D CA 0.485 54.560 54.000 0.125 0.000 0.851 211 D CB 0.529 41.468 40.800 0.232 0.000 0.976 211 D HN 0.226 nan 8.370 nan 0.000 0.505 212 F N -0.549 119.471 119.950 0.117 0.000 2.741 212 F HA 0.564 5.090 4.527 -0.001 0.000 0.311 212 F C -1.643 174.213 175.800 0.093 0.000 1.149 212 F CA -1.212 56.846 58.000 0.097 0.000 0.930 212 F CB 1.559 40.610 39.000 0.084 0.000 1.312 212 F HN -0.338 nan 8.300 nan 0.000 0.450 213 E N 2.438 122.875 120.200 0.396 0.000 2.308 213 E HA 0.723 5.073 4.350 -0.001 0.000 0.275 213 E C -1.792 174.982 176.600 0.290 0.000 0.890 213 E CA -0.937 55.631 56.400 0.279 0.000 0.754 213 E CB 2.798 32.633 29.700 0.225 0.000 1.207 213 E HN 0.865 nan 8.360 nan 0.000 0.426 214 I N 0.958 121.670 120.570 0.237 0.000 2.656 214 I HA 0.580 4.750 4.170 -0.001 0.000 0.292 214 I C -1.878 174.236 176.117 -0.004 0.000 1.144 214 I CA -0.959 60.393 61.300 0.086 0.000 1.038 214 I CB 1.844 39.871 38.000 0.045 0.000 1.244 214 I HN 0.570 nan 8.210 nan 0.000 0.420 215 Y N 3.894 123.962 120.300 -0.388 0.000 2.536 215 Y HA 0.895 5.444 4.550 -0.001 0.000 0.347 215 Y C 0.134 175.682 175.900 -0.587 0.000 1.000 215 Y CA 0.547 58.279 58.100 -0.614 0.000 1.051 215 Y CB 2.332 40.135 38.460 -1.095 0.000 1.259 215 Y HN 1.153 nan 8.280 nan 0.000 0.468 216 G N 1.322 109.711 108.800 -0.686 0.000 2.369 216 G HA2 0.467 4.426 3.960 -0.001 0.000 0.295 216 G HA3 0.467 4.426 3.960 -0.001 0.000 0.295 216 G C -2.084 172.386 174.900 -0.718 0.000 1.298 216 G CA -0.405 44.446 45.100 -0.416 0.000 0.940 216 G HN 1.060 nan 8.290 nan 0.000 0.536 217 A N -1.207 121.140 122.820 -0.788 0.000 2.322 217 A HA 1.006 5.325 4.320 -0.001 0.000 0.327 217 A C 0.128 177.698 177.584 -0.023 0.000 1.134 217 A CA 0.245 51.886 52.037 -0.661 0.000 0.831 217 A CB 2.074 20.321 19.000 -1.256 0.000 1.288 217 A HN 1.967 nan 8.150 nan 0.000 0.472 218 T N -0.407 114.296 114.554 0.249 0.000 2.830 218 T HA 0.411 4.760 4.350 -0.001 0.000 0.322 218 T C -1.354 173.549 174.700 0.338 0.000 1.501 218 T CA -0.467 61.874 62.100 0.401 0.000 1.036 218 T CB 1.168 70.182 68.868 0.244 0.000 1.379 218 T HN 0.713 nan 8.240 nan 0.000 0.493 219 Q N 2.114 122.019 119.800 0.176 0.000 2.364 219 Q HA 0.427 4.766 4.340 -0.001 0.000 0.267 219 Q C 0.544 176.586 176.000 0.070 0.000 0.999 219 Q CA -0.132 55.648 55.803 -0.038 0.000 0.886 219 Q CB 0.224 29.010 28.738 0.080 0.000 1.243 219 Q HN 0.646 nan 8.270 nan 0.000 0.415 220 I N -1.165 119.372 120.570 -0.055 0.000 2.880 220 I HA 0.200 4.369 4.170 -0.001 0.000 0.296 220 I C 1.136 177.259 176.117 0.010 0.000 1.220 220 I CA 0.746 61.973 61.300 -0.121 0.000 1.435 220 I CB 0.017 37.801 38.000 -0.359 0.000 1.339 220 I HN 0.795 nan 8.210 nan 0.000 0.583 221 G N 4.708 113.514 108.800 0.010 0.000 2.258 221 G HA2 -0.217 3.743 3.960 -0.001 0.000 0.233 221 G HA3 -0.217 3.743 3.960 -0.001 0.000 0.233 221 G C 0.150 175.302 174.900 0.420 0.000 1.006 221 G CA 0.041 45.241 45.100 0.166 0.000 0.620 221 G HN 0.646 nan 8.290 nan 0.000 0.511 222 L N 2.307 123.687 121.223 0.263 0.000 2.331 222 L HA 0.317 4.656 4.340 -0.001 0.000 0.278 222 L C -0.601 176.157 176.870 -0.186 0.000 1.106 222 L CA -1.468 53.453 54.840 0.134 0.000 0.824 222 L CB 1.392 43.551 42.059 0.167 0.000 1.142 222 L HN 0.028 nan 8.230 nan 0.000 0.443 223 P HA -0.017 nan 4.420 nan 0.000 0.245 223 P C -0.059 177.246 177.300 0.009 0.000 1.206 223 P CA 0.512 63.079 63.100 -0.890 0.000 0.781 223 P CB 0.372 31.512 31.700 -0.934 0.000 0.994 224 V N -2.916 117.087 119.914 0.149 0.000 2.823 224 V HA 0.522 4.641 4.120 -0.001 0.000 0.312 224 V C -0.256 175.928 176.094 0.151 0.000 1.072 224 V CA -1.565 60.867 62.300 0.219 0.000 0.937 224 V CB 2.234 34.256 31.823 0.331 0.000 1.013 224 V HN -0.252 nan 8.190 nan 0.000 0.430 225 I N 3.957 124.580 120.570 0.089 0.000 2.396 225 I HA 0.407 4.577 4.170 -0.001 0.000 0.289 225 I C 1.464 177.553 176.117 -0.046 0.000 1.056 225 I CA -0.164 61.154 61.300 0.030 0.000 1.365 225 I CB 1.080 39.044 38.000 -0.061 0.000 1.407 225 I HN 0.745 nan 8.210 nan 0.000 0.509 226 R N 4.149 124.585 120.500 -0.107 0.000 2.100 226 R HA 0.072 4.412 4.340 -0.001 0.000 0.220 226 R C -0.099 175.993 176.300 -0.346 0.000 1.091 226 R CA 1.078 56.934 56.100 -0.407 0.000 0.986 226 R CB 0.105 30.107 30.300 -0.497 0.000 0.888 226 R HN 0.387 nan 8.270 nan 0.000 0.444 227 F N 0.941 120.881 119.950 -0.017 0.000 2.318 227 F HA 0.430 4.956 4.527 -0.001 0.000 0.356 227 F C 0.092 175.962 175.800 0.118 0.000 1.109 227 F CA -0.809 57.242 58.000 0.085 0.000 1.234 227 F CB 0.981 40.032 39.000 0.084 0.000 1.545 227 F HN -0.058 nan 8.300 nan 0.000 0.534 228 A N 2.957 125.909 122.820 0.221 0.000 2.354 228 A HA 0.951 5.271 4.320 -0.001 0.000 0.321 228 A C -1.123 176.644 177.584 0.306 0.000 1.125 228 A CA -0.546 51.591 52.037 0.168 0.000 0.799 228 A CB 1.495 20.533 19.000 0.065 0.000 1.293 228 A HN 0.535 nan 8.150 nan 0.000 0.452 229 F N -0.010 120.065 119.950 0.207 0.000 2.686 229 F HA 0.821 5.348 4.527 -0.001 0.000 0.311 229 F C -0.821 175.089 175.800 0.183 0.000 1.128 229 F CA -1.014 57.113 58.000 0.212 0.000 0.946 229 F CB 1.130 40.240 39.000 0.182 0.000 1.336 229 F HN 0.778 nan 8.300 nan 0.000 0.457 230 N N -1.124 117.859 118.700 0.471 0.000 3.364 230 N HA 0.220 4.960 4.740 -0.001 0.000 0.294 230 N C -0.205 175.525 175.510 0.365 0.000 1.562 230 N CA -0.742 52.488 53.050 0.300 0.000 0.862 230 N CB 0.353 38.963 38.487 0.204 0.000 1.691 230 N HN 0.500 nan 8.380 nan 0.000 0.572 231 Q N -0.569 119.380 119.800 0.248 0.000 2.368 231 Q HA -0.091 4.248 4.340 -0.001 0.000 0.210 231 Q C 1.105 177.261 176.000 0.261 0.000 0.982 231 Q CA 1.308 57.239 55.803 0.214 0.000 0.884 231 Q CB -0.068 28.765 28.738 0.158 0.000 0.933 231 Q HN 0.638 nan 8.270 nan 0.000 0.460 232 R N -0.719 119.938 120.500 0.261 0.000 2.164 232 R HA 0.165 4.505 4.340 -0.001 0.000 0.198 232 R C 0.723 177.064 176.300 0.068 0.000 1.028 232 R CA 0.489 56.698 56.100 0.182 0.000 1.083 232 R CB 0.548 30.922 30.300 0.123 0.000 1.026 232 R HN 0.255 nan 8.270 nan 0.000 0.514 233 M N -2.517 117.148 119.600 0.108 0.000 2.843 233 M HA 0.684 5.164 4.480 -0.001 0.000 0.273 233 M C -0.874 175.499 176.300 0.122 0.000 1.286 233 M CA -0.936 54.191 55.300 -0.289 0.000 0.807 233 M CB 2.374 34.792 32.600 -0.304 0.000 1.684 233 M HN -0.035 nan 8.290 nan 0.000 0.458 234 G N 0.485 109.192 108.800 -0.154 0.000 2.673 234 G HA2 0.729 4.689 3.960 -0.001 0.000 0.292 234 G HA3 0.729 4.689 3.960 -0.001 0.000 0.292 234 G C -1.884 173.010 174.900 -0.009 0.000 1.450 234 G CA -0.803 44.440 45.100 0.238 0.000 0.837 234 G HN 1.358 nan 8.290 nan 0.000 0.505 235 I N -2.285 118.374 120.570 0.147 0.000 3.191 235 I HA 0.947 5.116 4.170 -0.001 0.000 0.313 235 I C -0.865 175.347 176.117 0.157 0.000 1.193 235 I CA -0.957 60.416 61.300 0.121 0.000 0.968 235 I CB 2.448 40.550 38.000 0.169 0.000 1.262 235 I HN 0.685 nan 8.210 nan 0.000 0.456 236 T N 1.198 115.818 114.554 0.110 0.000 2.868 236 T HA 0.502 4.851 4.350 -0.001 0.000 0.306 236 T C -1.521 173.132 174.700 -0.079 0.000 1.224 236 T CA -0.663 61.477 62.100 0.067 0.000 1.012 236 T CB 1.701 70.720 68.868 0.252 0.000 1.221 236 T HN 0.823 nan 8.240 nan 0.000 0.499 237 N N 1.201 119.734 118.700 -0.279 0.000 2.312 237 N HA 0.692 5.432 4.740 -0.001 0.000 0.296 237 N C -1.204 174.310 175.510 0.006 0.000 1.193 237 N CA -0.621 52.278 53.050 -0.253 0.000 0.773 237 N CB 2.313 40.360 38.487 -0.732 0.000 1.435 237 N HN 0.826 nan 8.380 nan 0.000 0.484 238 T N -2.955 111.606 114.554 0.012 0.000 3.041 238 T HA 0.335 4.685 4.350 -0.001 0.000 0.321 238 T C -0.250 174.553 174.700 0.172 0.000 1.184 238 T CA -0.888 61.262 62.100 0.082 0.000 1.050 238 T CB 0.678 69.602 68.868 0.092 0.000 1.159 238 T HN 0.272 nan 8.240 nan 0.000 0.469 239 V N 2.309 122.360 119.914 0.229 0.000 2.655 239 V HA 0.418 4.538 4.120 -0.001 0.000 0.300 239 V C 0.679 176.871 176.094 0.165 0.000 1.044 239 V CA -0.072 62.413 62.300 0.307 0.000 1.095 239 V CB -0.060 31.959 31.823 0.326 0.000 0.952 239 V HN 1.035 nan 8.190 nan 0.000 0.485 240 N N 2.388 121.127 118.700 0.066 0.000 2.171 240 N HA 0.232 4.971 4.740 -0.001 0.000 0.212 240 N C 1.146 176.681 175.510 0.042 0.000 1.184 240 N CA 0.244 53.306 53.050 0.019 0.000 0.888 240 N CB 0.481 38.808 38.487 -0.266 0.000 1.038 240 N HN 1.643 nan 8.380 nan 0.000 0.517 241 G N 1.144 109.962 108.800 0.030 0.000 2.249 241 G HA2 -0.347 3.613 3.960 -0.001 0.000 0.273 241 G HA3 -0.347 3.613 3.960 -0.001 0.000 0.273 241 G C -0.011 174.907 174.900 0.030 0.000 1.036 241 G CA 0.393 45.528 45.100 0.057 0.000 0.824 241 G HN 0.530 nan 8.290 nan 0.000 0.504 242 M N 0.652 120.197 119.600 -0.093 0.000 2.409 242 M HA 0.286 4.765 4.480 -0.001 0.000 0.376 242 M C 0.689 176.974 176.300 -0.025 0.000 1.631 242 M CA 0.140 55.378 55.300 -0.103 0.000 0.987 242 M CB 0.493 32.932 32.600 -0.269 0.000 2.090 242 M HN 0.233 nan 8.290 nan 0.000 0.474 243 V N 7.223 127.166 119.914 0.048 0.000 2.266 243 V HA 0.188 4.307 4.120 -0.001 0.000 0.240 243 V C 1.406 177.473 176.094 -0.046 0.000 1.225 243 V CA 0.664 62.988 62.300 0.040 0.000 1.237 243 V CB -1.083 30.804 31.823 0.107 0.000 1.343 243 V HN 1.051 nan 8.190 nan 0.000 0.496 244 G N 2.843 111.607 108.800 -0.060 0.000 3.337 244 G HA2 0.561 4.521 3.960 -0.001 0.000 0.246 244 G HA3 0.561 4.521 3.960 -0.001 0.000 0.246 244 G C 0.332 175.220 174.900 -0.021 0.000 1.131 244 G CA 0.658 45.693 45.100 -0.109 0.000 0.773 244 G HN 0.827 nan 8.290 nan 0.000 0.544 245 A N -0.654 122.207 122.820 0.068 0.000 2.572 245 A HA 0.836 5.155 4.320 -0.001 0.000 0.295 245 A C -0.757 176.993 177.584 0.277 0.000 1.072 245 A CA -0.470 51.704 52.037 0.228 0.000 0.691 245 A CB 1.576 20.668 19.000 0.153 0.000 1.291 245 A HN 0.064 nan 8.150 nan 0.000 0.404 246 T N 1.474 116.262 114.554 0.390 0.000 2.881 246 T HA 0.430 4.779 4.350 -0.001 0.000 0.290 246 T C -0.645 174.071 174.700 0.027 0.000 1.000 246 T CA -0.448 61.774 62.100 0.203 0.000 0.978 246 T CB 1.035 70.087 68.868 0.306 0.000 0.997 246 T HN 0.624 nan 8.240 nan 0.000 0.443 247 N N 1.824 120.455 118.700 -0.115 0.000 2.457 247 N HA 0.400 5.139 4.740 -0.001 0.000 0.250 247 N C -1.378 173.995 175.510 -0.228 0.000 0.982 247 N CA -0.522 52.489 53.050 -0.065 0.000 0.941 247 N CB 0.893 39.359 38.487 -0.034 0.000 1.120 247 N HN 0.499 nan 8.380 nan 0.000 0.505 248 Y N 0.980 121.241 120.300 -0.066 0.000 2.330 248 Y HA 0.268 4.817 4.550 -0.001 0.000 0.336 248 Y C 0.595 176.402 175.900 -0.156 0.000 1.036 248 Y CA -0.926 57.065 58.100 -0.182 0.000 1.125 248 Y CB 0.960 39.151 38.460 -0.448 0.000 1.194 248 Y HN 0.302 nan 8.280 nan 0.000 0.469 249 R N 4.905 125.412 120.500 0.011 0.000 2.242 249 R HA 0.348 4.687 4.340 -0.001 0.000 0.334 249 R C -1.197 175.131 176.300 0.046 0.000 1.071 249 R CA -0.168 55.941 56.100 0.016 0.000 0.922 249 R CB -0.010 30.283 30.300 -0.011 0.000 1.023 249 R HN 0.781 nan 8.270 nan 0.000 0.458 250 L N 3.026 124.288 121.223 0.065 0.000 2.421 250 L HA 0.310 4.649 4.340 -0.001 0.000 0.263 250 L C 0.282 177.243 176.870 0.152 0.000 1.122 250 L CA -0.504 54.408 54.840 0.120 0.000 0.804 250 L CB 1.731 43.878 42.059 0.146 0.000 1.150 250 L HN 0.602 nan 8.230 nan 0.000 0.457 251 T N 3.166 117.838 114.554 0.198 0.000 2.874 251 T HA 0.426 4.776 4.350 -0.001 0.000 0.321 251 T C 0.016 174.833 174.700 0.194 0.000 1.075 251 T CA -0.495 61.701 62.100 0.161 0.000 0.966 251 T CB 0.243 69.191 68.868 0.133 0.000 1.001 251 T HN 0.252 nan 8.240 nan 0.000 0.476 252 L N 3.581 124.917 121.223 0.189 0.000 2.416 252 L HA 0.442 4.782 4.340 -0.001 0.000 0.272 252 L C 0.406 177.363 176.870 0.144 0.000 1.161 252 L CA 0.040 55.010 54.840 0.216 0.000 0.845 252 L CB 0.433 42.610 42.059 0.196 0.000 1.119 252 L HN 0.594 nan 8.230 nan 0.000 0.464 253 Q N 1.740 121.618 119.800 0.131 0.000 2.468 253 Q HA 0.100 4.440 4.340 -0.001 0.000 0.263 253 Q C -1.345 174.688 176.000 0.055 0.000 0.979 253 Q CA -0.717 55.130 55.803 0.075 0.000 0.932 253 Q CB 1.665 30.432 28.738 0.047 0.000 1.462 253 Q HN 0.693 nan 8.270 nan 0.000 0.403 254 D N 2.539 122.966 120.400 0.045 0.000 2.702 254 D HA -0.244 4.395 4.640 -0.001 0.000 0.233 254 D C 0.775 177.103 176.300 0.047 0.000 1.164 254 D CA 2.129 56.149 54.000 0.033 0.000 0.638 254 D CB -1.351 39.454 40.800 0.008 0.000 1.041 254 D HN 1.095 nan 8.370 nan 0.000 0.422 255 G N -2.108 106.746 108.800 0.090 0.000 2.199 255 G HA2 -0.166 3.793 3.960 -0.001 0.000 0.254 255 G HA3 -0.166 3.793 3.960 -0.001 0.000 0.254 255 G C 0.683 175.715 174.900 0.220 0.000 0.982 255 G CA 0.611 45.791 45.100 0.134 0.000 0.632 255 G HN 1.025 nan 8.290 nan 0.000 0.529 256 G N -0.830 108.044 108.800 0.123 0.000 3.252 256 G HA2 0.806 4.766 3.960 -0.001 0.000 0.181 256 G HA3 0.806 4.766 3.960 -0.001 0.000 0.181 256 G C -0.708 174.157 174.900 -0.059 0.000 1.187 256 G CA -0.074 44.984 45.100 -0.070 0.000 0.886 256 G HN 1.306 nan 8.290 nan 0.000 0.615 257 Y N -1.324 118.708 120.300 -0.447 0.000 2.477 257 Y HA 0.765 5.314 4.550 -0.001 0.000 0.347 257 Y C -0.841 175.016 175.900 -0.071 0.000 0.981 257 Y CA -1.877 56.109 58.100 -0.189 0.000 1.033 257 Y CB 1.499 39.821 38.460 -0.230 0.000 1.245 257 Y HN 0.441 nan 8.280 nan 0.000 0.455 258 L N 4.497 125.747 121.223 0.045 0.000 2.410 258 L HA 0.352 4.692 4.340 -0.001 0.000 0.273 258 L C -1.427 175.522 176.870 0.132 0.000 1.152 258 L CA -0.014 54.833 54.840 0.012 0.000 0.855 258 L CB -0.063 42.031 42.059 0.058 0.000 1.129 258 L HN 0.758 nan 8.230 nan 0.000 0.463 259 Y N 4.588 124.811 120.300 -0.128 0.000 2.307 259 Y HA 0.281 4.831 4.550 -0.001 0.000 0.323 259 Y C -0.251 175.622 175.900 -0.046 0.000 1.100 259 Y CA -0.929 57.146 58.100 -0.042 0.000 1.140 259 Y CB 0.722 39.110 38.460 -0.120 0.000 1.159 259 Y HN 0.797 nan 8.280 nan 0.000 0.436 260 D N 4.335 124.566 120.400 -0.281 0.000 2.800 260 D HA -0.170 4.470 4.640 -0.001 0.000 0.232 260 D C 1.202 177.453 176.300 -0.082 0.000 1.137 260 D CA 2.181 56.053 54.000 -0.214 0.000 0.718 260 D CB -1.158 39.493 40.800 -0.248 0.000 1.084 260 D HN 1.310 nan 8.370 nan 0.000 0.432 261 G N -1.016 107.755 108.800 -0.048 0.000 2.205 261 G HA2 -0.365 3.595 3.960 -0.001 0.000 0.261 261 G HA3 -0.365 3.595 3.960 -0.001 0.000 0.261 261 G C 0.283 175.166 174.900 -0.028 0.000 0.980 261 G CA 0.765 45.849 45.100 -0.027 0.000 0.632 261 G HN 0.530 nan 8.290 nan 0.000 0.533 262 Q N -0.609 119.170 119.800 -0.035 0.000 2.257 262 Q HA 0.655 4.994 4.340 -0.001 0.000 0.262 262 Q C -0.242 175.694 176.000 -0.107 0.000 0.997 262 Q CA -0.934 54.836 55.803 -0.055 0.000 0.873 262 Q CB 2.828 31.537 28.738 -0.048 0.000 1.312 262 Q HN 0.118 nan 8.270 nan 0.000 0.450 263 V N 2.959 122.794 119.914 -0.130 0.000 2.408 263 V HA 0.252 4.372 4.120 -0.001 0.000 0.267 263 V C -0.061 175.845 176.094 -0.315 0.000 1.047 263 V CA -0.332 61.846 62.300 -0.204 0.000 0.937 263 V CB 0.514 32.261 31.823 -0.127 0.000 0.999 263 V HN 0.553 nan 8.190 nan 0.000 0.472 264 R N 6.464 126.593 120.500 -0.619 0.000 2.474 264 R HA 0.529 4.868 4.340 -0.001 0.000 0.295 264 R C -2.607 173.322 176.300 -0.619 0.000 0.980 264 R CA -2.400 53.259 56.100 -0.734 0.000 0.934 264 R CB 1.923 31.448 30.300 -1.292 0.000 1.101 264 R HN 0.403 nan 8.270 nan 0.000 0.469 265 P HA 0.277 nan 4.420 nan 0.000 0.284 265 P C -0.735 176.544 177.300 -0.034 0.000 1.258 265 P CA -0.379 62.640 63.100 -0.136 0.000 0.824 265 P CB 0.643 32.313 31.700 -0.051 0.000 1.038 266 F N 0.277 120.317 119.950 0.150 0.000 2.375 266 F HA 0.257 4.784 4.527 -0.001 0.000 0.333 266 F C 1.475 177.292 175.800 0.028 0.000 1.104 266 F CA -0.309 57.754 58.000 0.105 0.000 1.149 266 F CB 0.573 39.599 39.000 0.044 0.000 1.190 266 F HN 0.283 nan 8.300 nan 0.000 0.533 267 E N 2.315 122.632 120.200 0.195 0.000 2.338 267 E HA 0.257 4.606 4.350 -0.001 0.000 0.272 267 E C -1.058 175.583 176.600 0.068 0.000 1.029 267 E CA -0.254 56.196 56.400 0.083 0.000 0.872 267 E CB 0.602 30.321 29.700 0.031 0.000 1.015 267 E HN 0.469 nan 8.360 nan 0.000 0.417 268 R N 5.230 125.750 120.500 0.033 0.000 2.407 268 R HA 0.372 4.711 4.340 -0.001 0.000 0.298 268 R C -2.341 173.945 176.300 -0.024 0.000 1.166 268 R CA -1.677 54.423 56.100 -0.000 0.000 1.006 268 R CB 1.641 31.949 30.300 0.013 0.000 1.145 268 R HN 0.461 nan 8.270 nan 0.000 0.538 269 P HA 0.216 nan 4.420 nan 0.000 0.296 269 P C -1.009 176.261 177.300 -0.050 0.000 1.301 269 P CA -0.781 62.292 63.100 -0.045 0.000 0.862 269 P CB 1.300 32.968 31.700 -0.054 0.000 1.046 270 Q N 1.557 121.332 119.800 -0.041 0.000 2.430 270 Q HA 0.595 4.934 4.340 -0.001 0.000 0.245 270 Q C -0.274 175.702 176.000 -0.039 0.000 1.021 270 Q CA -0.176 55.602 55.803 -0.042 0.000 0.867 270 Q CB 1.379 30.095 28.738 -0.036 0.000 1.210 270 Q HN 0.480 nan 8.270 nan 0.000 0.487 271 A N 1.963 124.761 122.820 -0.037 0.000 2.352 271 A HA 0.902 5.221 4.320 -0.001 0.000 0.299 271 A C -0.250 177.325 177.584 -0.014 0.000 1.160 271 A CA -0.313 51.710 52.037 -0.023 0.000 0.933 271 A CB 1.139 20.128 19.000 -0.018 0.000 1.387 271 A HN 0.718 nan 8.150 nan 0.000 0.487 272 S N -1.812 113.892 115.700 0.006 0.000 2.578 272 S HA 0.683 5.153 4.470 -0.001 0.000 0.272 272 S C -1.080 173.542 174.600 0.037 0.000 1.145 272 S CA -0.409 57.769 58.200 -0.036 0.000 0.835 272 S CB 0.667 63.809 63.200 -0.095 0.000 1.104 272 S HN 1.947 nan 8.310 nan 0.000 0.458 273 Y N -0.792 119.468 120.300 -0.068 0.000 2.655 273 Y HA 0.806 5.355 4.550 -0.001 0.000 0.336 273 Y C -0.823 175.029 175.900 -0.081 0.000 1.154 273 Y CA -1.412 56.638 58.100 -0.084 0.000 1.055 273 Y CB 0.949 39.358 38.460 -0.084 0.000 1.295 273 Y HN 0.793 nan 8.280 nan 0.000 0.465 274 R N 1.528 122.058 120.500 0.049 0.000 2.428 274 R HA 0.593 4.932 4.340 -0.001 0.000 0.294 274 R C -1.678 174.667 176.300 0.075 0.000 1.000 274 R CA -1.083 54.996 56.100 -0.035 0.000 0.960 274 R CB 2.039 32.302 30.300 -0.062 0.000 1.076 274 R HN 0.737 nan 8.270 nan 0.000 0.475 275 L N 3.028 124.259 121.223 0.014 0.000 2.316 275 L HA 0.344 4.683 4.340 -0.001 0.000 0.280 275 L C -0.347 176.540 176.870 0.028 0.000 1.006 275 L CA -0.759 54.128 54.840 0.079 0.000 0.836 275 L CB 1.070 43.180 42.059 0.086 0.000 1.221 275 L HN 0.385 nan 8.230 nan 0.000 0.418 276 R N 3.120 123.633 120.500 0.022 0.000 2.570 276 R HA 0.210 4.550 4.340 -0.001 0.000 0.277 276 R C -0.283 176.038 176.300 0.036 0.000 1.039 276 R CA 0.372 56.478 56.100 0.010 0.000 1.065 276 R CB 0.335 30.631 30.300 -0.006 0.000 0.964 276 R HN 0.609 nan 8.270 nan 0.000 0.428 277 Q N 2.583 122.397 119.800 0.023 0.000 2.169 277 Q HA 0.329 4.669 4.340 -0.001 0.000 0.234 277 Q C 0.799 176.820 176.000 0.036 0.000 0.980 277 Q CA 0.142 55.962 55.803 0.028 0.000 0.941 277 Q CB 1.125 29.871 28.738 0.013 0.000 1.199 277 Q HN 0.751 nan 8.270 nan 0.000 0.496 278 A N 1.031 123.873 122.820 0.036 0.000 1.972 278 A HA -0.196 4.124 4.320 -0.001 0.000 0.219 278 A C 1.193 178.794 177.584 0.028 0.000 1.169 278 A CA 2.063 54.123 52.037 0.038 0.000 0.635 278 A CB -0.458 18.562 19.000 0.032 0.000 0.810 278 A HN 0.774 nan 8.150 nan 0.000 0.446 279 D N -2.213 118.198 120.400 0.019 0.000 2.363 279 D HA 0.241 4.880 4.640 -0.001 0.000 0.226 279 D C 1.214 177.521 176.300 0.011 0.000 1.020 279 D CA 1.140 55.148 54.000 0.013 0.000 0.892 279 D CB -0.495 40.309 40.800 0.007 0.000 0.900 279 D HN 0.813 nan 8.370 nan 0.000 0.531 280 G N -0.313 108.495 108.800 0.014 0.000 2.213 280 G HA2 -0.258 3.701 3.960 -0.001 0.000 0.226 280 G HA3 -0.258 3.701 3.960 -0.001 0.000 0.226 280 G C 0.583 175.482 174.900 -0.002 0.000 0.992 280 G CA 0.454 45.559 45.100 0.008 0.000 0.632 280 G HN 0.788 nan 8.290 nan 0.000 0.511 281 T N -0.844 113.709 114.554 -0.003 0.000 2.814 281 T HA 0.725 5.075 4.350 -0.001 0.000 0.284 281 T C 0.356 175.048 174.700 -0.013 0.000 0.998 281 T CA 0.793 62.886 62.100 -0.010 0.000 0.935 281 T CB 1.806 70.668 68.868 -0.010 0.000 1.167 281 T HN 1.456 nan 8.240 nan 0.000 0.545 282 T N -1.914 112.627 114.554 -0.021 0.000 2.903 282 T HA 0.660 5.009 4.350 -0.001 0.000 0.299 282 T C -0.424 174.253 174.700 -0.038 0.000 1.093 282 T CA -0.676 61.407 62.100 -0.028 0.000 1.002 282 T CB 1.252 70.097 68.868 -0.038 0.000 1.127 282 T HN 1.303 nan 8.240 nan 0.000 0.488 283 V N -1.218 118.667 119.914 -0.048 0.000 2.769 283 V HA 0.743 4.863 4.120 -0.001 0.000 0.312 283 V C -1.206 174.819 176.094 -0.115 0.000 1.061 283 V CA -1.020 61.238 62.300 -0.069 0.000 0.931 283 V CB 1.736 33.523 31.823 -0.061 0.000 1.010 283 V HN 0.878 nan 8.190 nan 0.000 0.433 284 D N 3.045 123.367 120.400 -0.129 0.000 2.295 284 D HA 0.404 5.044 4.640 -0.001 0.000 0.248 284 D C -0.233 175.916 176.300 -0.251 0.000 1.154 284 D CA 0.043 53.933 54.000 -0.183 0.000 0.857 284 D CB 1.292 42.012 40.800 -0.132 0.000 1.117 284 D HN 0.519 nan 8.370 nan 0.000 0.468 285 K N 3.822 123.953 120.400 -0.448 0.000 2.307 285 K HA 0.349 4.668 4.320 -0.001 0.000 0.263 285 K C -2.449 173.876 176.600 -0.458 0.000 0.973 285 K CA -1.697 54.288 56.287 -0.503 0.000 0.846 285 K CB 2.387 34.412 32.500 -0.792 0.000 1.100 285 K HN 0.268 nan 8.250 nan 0.000 0.438 286 P HA 0.147 nan 4.420 nan 0.000 0.272 286 P C -0.798 176.445 177.300 -0.095 0.000 1.230 286 P CA -0.620 62.391 63.100 -0.148 0.000 0.788 286 P CB 0.872 32.514 31.700 -0.098 0.000 0.949 287 L N 1.058 122.262 121.223 -0.030 0.000 2.518 287 L HA 0.351 4.691 4.340 -0.001 0.000 0.262 287 L C -0.337 176.519 176.870 -0.025 0.000 0.982 287 L CA -0.544 54.314 54.840 0.030 0.000 0.873 287 L CB 1.246 43.406 42.059 0.169 0.000 1.198 287 L HN 0.357 nan 8.230 nan 0.000 0.427 288 E N 4.875 125.042 120.200 -0.056 0.000 2.259 288 E HA 0.409 4.759 4.350 -0.001 0.000 0.281 288 E C -1.013 175.508 176.600 -0.130 0.000 1.037 288 E CA -0.380 55.969 56.400 -0.085 0.000 0.854 288 E CB 0.830 30.476 29.700 -0.090 0.000 1.051 288 E HN 0.657 nan 8.360 nan 0.000 0.409 289 I N 5.314 125.803 120.570 -0.134 0.000 2.330 289 I HA 0.345 4.514 4.170 -0.001 0.000 0.289 289 I C 0.172 176.181 176.117 -0.179 0.000 1.001 289 I CA -0.562 60.626 61.300 -0.187 0.000 1.193 289 I CB 1.281 39.183 38.000 -0.163 0.000 1.345 289 I HN 0.389 nan 8.210 nan 0.000 0.461 290 R N 3.981 124.333 120.500 -0.248 0.000 2.589 290 R HA 0.694 5.033 4.340 -0.001 0.000 0.293 290 R C -0.914 175.299 176.300 -0.145 0.000 0.963 290 R CA -0.634 55.335 56.100 -0.218 0.000 0.905 290 R CB 2.240 32.252 30.300 -0.480 0.000 1.144 290 R HN 0.502 nan 8.270 nan 0.000 0.459 291 S N 0.717 116.426 115.700 0.016 0.000 2.614 291 S HA 0.281 4.750 4.470 -0.001 0.000 0.288 291 S C -0.394 174.263 174.600 0.096 0.000 1.137 291 S CA -0.757 57.458 58.200 0.025 0.000 0.992 291 S CB 1.840 65.027 63.200 -0.021 0.000 1.026 291 S HN 0.715 nan 8.310 nan 0.000 0.486 292 S N 1.314 116.997 115.700 -0.029 0.000 2.666 292 S HA 0.436 4.905 4.470 -0.001 0.000 0.279 292 S C 1.264 175.713 174.600 -0.251 0.000 1.149 292 S CA -0.500 57.472 58.200 -0.380 0.000 1.020 292 S CB 0.442 63.137 63.200 -0.842 0.000 1.127 292 S HN 0.497 nan 8.310 nan 0.000 0.537 293 V N 1.191 120.884 119.914 -0.368 0.000 2.867 293 V HA -0.122 3.997 4.120 -0.001 0.000 0.260 293 V C 1.879 177.682 176.094 -0.486 0.000 1.099 293 V CA 2.048 64.087 62.300 -0.435 0.000 1.122 293 V CB -1.521 29.897 31.823 -0.676 0.000 0.708 293 V HN 0.882 nan 8.190 nan 0.000 0.490 294 H N 0.124 118.971 119.070 -0.371 0.000 2.317 294 H HA 0.500 5.055 4.556 -0.001 0.000 0.304 294 H C 1.042 176.269 175.328 -0.169 0.000 1.067 294 H CA 0.983 56.811 56.048 -0.366 0.000 1.352 294 H CB -0.096 29.375 29.762 -0.486 0.000 1.398 294 H HN 0.595 nan 8.280 nan 0.000 0.510 295 G N -1.310 107.513 108.800 0.037 0.000 2.333 295 G HA2 0.167 4.127 3.960 -0.001 0.000 0.288 295 G HA3 0.167 4.127 3.960 -0.001 0.000 0.288 295 G C -2.847 172.078 174.900 0.043 0.000 1.286 295 G CA -1.228 43.901 45.100 0.048 0.000 0.865 295 G HN -0.126 nan 8.290 nan 0.000 0.506 296 P HA 0.291 nan 4.420 nan 0.000 0.264 296 P C -0.157 177.119 177.300 -0.039 0.000 1.179 296 P CA -0.054 63.007 63.100 -0.065 0.000 0.763 296 P CB 0.780 32.447 31.700 -0.057 0.000 0.806 297 V N 4.974 124.744 119.914 -0.241 0.000 2.398 297 V HA 0.413 4.532 4.120 -0.001 0.000 0.286 297 V C -0.071 175.793 176.094 -0.383 0.000 1.026 297 V CA -0.058 62.134 62.300 -0.180 0.000 0.868 297 V CB 0.295 31.974 31.823 -0.240 0.000 0.982 297 V HN 0.358 nan 8.190 nan 0.000 0.443 298 F N 2.020 121.966 119.950 -0.006 0.000 2.561 298 F HA 0.558 5.085 4.527 -0.001 0.000 0.321 298 F C 0.259 176.064 175.800 0.008 0.000 1.065 298 F CA -0.779 57.234 58.000 0.022 0.000 0.934 298 F CB 1.814 40.877 39.000 0.106 0.000 1.215 298 F HN 0.411 nan 8.300 nan 0.000 0.471 299 E N 2.508 122.816 120.200 0.180 0.000 2.176 299 E HA 0.400 4.750 4.350 -0.001 0.000 0.267 299 E C -0.714 175.950 176.600 0.108 0.000 0.893 299 E CA -0.695 55.765 56.400 0.100 0.000 0.761 299 E CB 1.097 30.820 29.700 0.038 0.000 1.133 299 E HN 0.590 nan 8.360 nan 0.000 0.409 300 R N 1.840 122.389 120.500 0.081 0.000 2.577 300 R HA 0.284 4.623 4.340 -0.001 0.000 0.269 300 R C 1.126 177.448 176.300 0.037 0.000 1.084 300 R CA 0.327 56.460 56.100 0.055 0.000 1.163 300 R CB 0.636 30.957 30.300 0.036 0.000 1.100 300 R HN 0.674 nan 8.270 nan 0.000 0.547 301 A N 1.503 124.337 122.820 0.024 0.000 1.948 301 A HA -0.234 4.086 4.320 -0.001 0.000 0.220 301 A C 1.308 178.901 177.584 0.014 0.000 1.177 301 A CA 2.198 54.245 52.037 0.016 0.000 0.636 301 A CB -0.685 18.318 19.000 0.006 0.000 0.815 301 A HN 0.888 nan 8.150 nan 0.000 0.449 302 D N -2.381 118.027 120.400 0.013 0.000 2.352 302 D HA 0.303 4.942 4.640 -0.001 0.000 0.232 302 D C 1.138 177.449 176.300 0.018 0.000 1.055 302 D CA 0.974 54.981 54.000 0.012 0.000 0.891 302 D CB -0.551 40.253 40.800 0.008 0.000 0.897 302 D HN 0.800 nan 8.370 nan 0.000 0.529 303 G N -0.794 108.019 108.800 0.023 0.000 2.176 303 G HA2 -0.286 3.674 3.960 -0.001 0.000 0.253 303 G HA3 -0.286 3.674 3.960 -0.001 0.000 0.253 303 G C 0.448 175.368 174.900 0.034 0.000 0.979 303 G CA 0.300 45.417 45.100 0.027 0.000 0.641 303 G HN 0.460 nan 8.290 nan 0.000 0.530 304 T N 1.482 116.057 114.554 0.035 0.000 2.916 304 T HA 0.519 4.869 4.350 -0.001 0.000 0.303 304 T C 0.655 175.388 174.700 0.056 0.000 1.025 304 T CA 0.686 62.810 62.100 0.041 0.000 1.142 304 T CB 1.509 70.395 68.868 0.031 0.000 0.947 304 T HN 1.367 nan 8.240 nan 0.000 0.544 305 A N 3.652 126.511 122.820 0.065 0.000 2.269 305 A HA 0.603 4.923 4.320 -0.001 0.000 0.302 305 A C -0.252 177.383 177.584 0.085 0.000 1.266 305 A CA -0.593 51.487 52.037 0.073 0.000 0.894 305 A CB 0.309 19.362 19.000 0.087 0.000 1.147 305 A HN 0.683 nan 8.150 nan 0.000 0.537 306 V N 1.990 121.973 119.914 0.115 0.000 2.540 306 V HA 0.694 4.813 4.120 -0.001 0.000 0.302 306 V C 0.416 176.620 176.094 0.184 0.000 1.035 306 V CA -0.438 61.941 62.300 0.132 0.000 0.873 306 V CB 1.573 33.479 31.823 0.137 0.000 0.992 306 V HN 1.110 nan 8.190 nan 0.000 0.428 307 A N 3.931 126.835 122.820 0.141 0.000 2.288 307 A HA 0.780 5.100 4.320 -0.001 0.000 0.320 307 A C -0.655 177.098 177.584 0.281 0.000 1.217 307 A CA -0.565 51.570 52.037 0.163 0.000 0.840 307 A CB 1.526 20.527 19.000 0.002 0.000 1.179 307 A HN 0.912 nan 8.150 nan 0.000 0.504 308 V N 3.828 123.932 119.914 0.316 0.000 2.398 308 V HA 0.604 4.723 4.120 -0.001 0.000 0.286 308 V C 0.025 176.308 176.094 0.314 0.000 1.026 308 V CA -0.723 61.769 62.300 0.319 0.000 0.868 308 V CB 1.274 33.279 31.823 0.304 0.000 0.982 308 V HN 0.906 nan 8.190 nan 0.000 0.443 309 R N 5.437 126.163 120.500 0.377 0.000 2.275 309 R HA 0.625 4.965 4.340 -0.001 0.000 0.326 309 R C -1.577 174.987 176.300 0.440 0.000 0.973 309 R CA -0.444 55.852 56.100 0.327 0.000 0.854 309 R CB 1.524 31.991 30.300 0.278 0.000 1.156 309 R HN 0.622 nan 8.270 nan 0.000 0.487 310 V N 4.007 124.130 119.914 0.349 0.000 2.407 310 V HA 0.457 4.577 4.120 -0.001 0.000 0.278 310 V C 0.537 176.878 176.094 0.412 0.000 1.037 310 V CA -0.748 61.738 62.300 0.309 0.000 0.900 310 V CB 1.321 33.201 31.823 0.094 0.000 0.983 310 V HN 0.904 nan 8.190 nan 0.000 0.459 311 A N 3.504 126.555 122.820 0.385 0.000 2.351 311 A HA 0.627 4.947 4.320 -0.001 0.000 0.257 311 A C 1.333 179.032 177.584 0.191 0.000 1.087 311 A CA 0.365 52.582 52.037 0.300 0.000 0.798 311 A CB 0.105 19.079 19.000 -0.043 0.000 1.033 311 A HN 2.187 nan 8.150 nan 0.000 0.488 312 G N 0.124 109.036 108.800 0.187 0.000 2.176 312 G HA2 -0.200 3.759 3.960 -0.001 0.000 0.252 312 G HA3 -0.200 3.759 3.960 -0.001 0.000 0.252 312 G C 0.425 175.510 174.900 0.309 0.000 1.024 312 G CA 0.432 45.632 45.100 0.166 0.000 0.755 312 G HN 0.798 nan 8.290 nan 0.000 0.507 313 L N 0.333 121.760 121.223 0.340 0.000 2.622 313 L HA 0.128 4.468 4.340 -0.001 0.000 0.233 313 L C 1.629 178.800 176.870 0.503 0.000 1.156 313 L CA 1.203 56.310 54.840 0.446 0.000 0.866 313 L CB -0.063 42.176 42.059 0.300 0.000 0.980 313 L HN 0.471 nan 8.230 nan 0.000 0.448 314 D N -1.237 119.356 120.400 0.321 0.000 2.538 314 D HA 0.016 4.656 4.640 -0.001 0.000 0.231 314 D C 0.369 176.665 176.300 -0.008 0.000 1.229 314 D CA -0.273 53.848 54.000 0.202 0.000 0.828 314 D CB 0.328 41.201 40.800 0.121 0.000 1.035 314 D HN -0.018 nan 8.370 nan 0.000 0.495 315 R N 1.798 122.217 120.500 -0.136 0.000 2.396 315 R HA 0.279 4.619 4.340 -0.001 0.000 0.292 315 R C -2.043 173.550 176.300 -1.179 0.000 1.240 315 R CA -1.649 54.190 56.100 -0.436 0.000 1.270 315 R CB 1.188 31.336 30.300 -0.253 0.000 1.108 315 R HN 0.092 nan 8.270 nan 0.000 0.573 316 P HA 0.045 nan 4.420 nan 0.000 0.251 316 P C 0.735 177.626 177.300 -0.681 0.000 1.223 316 P CA 0.424 62.624 63.100 -1.501 0.000 0.796 316 P CB 0.539 31.714 31.700 -0.876 0.000 1.068 317 G N 0.266 108.765 108.800 -0.502 0.000 3.440 317 G HA2 0.007 3.966 3.960 -0.001 0.000 0.263 317 G HA3 0.007 3.966 3.960 -0.001 0.000 0.263 317 G C 1.108 175.844 174.900 -0.274 0.000 1.236 317 G CA -0.173 44.725 45.100 -0.337 0.000 0.927 317 G HN 0.032 nan 8.290 nan 0.000 0.530 318 M N 0.227 119.687 119.600 -0.232 0.000 2.065 318 M HA -0.026 4.453 4.480 -0.001 0.000 0.259 318 M C 2.329 178.669 176.300 0.066 0.000 1.071 318 M CA 1.549 56.814 55.300 -0.057 0.000 1.109 318 M CB -0.592 32.036 32.600 0.047 0.000 1.313 318 M HN 0.315 nan 8.290 nan 0.000 0.408 319 L N -0.411 120.871 121.223 0.098 0.000 2.017 319 L HA -0.225 4.114 4.340 -0.001 0.000 0.208 319 L C 2.469 179.286 176.870 -0.088 0.000 1.073 319 L CA 1.694 56.658 54.840 0.207 0.000 0.745 319 L CB -0.800 41.540 42.059 0.468 0.000 0.894 319 L HN 0.429 nan 8.230 nan 0.000 0.432 320 E N -0.254 119.501 120.200 -0.742 0.000 2.204 320 E HA -0.259 4.091 4.350 -0.001 0.000 0.194 320 E C 2.172 178.591 176.600 -0.303 0.000 0.989 320 E CA 0.757 56.528 56.400 -1.049 0.000 0.824 320 E CB 0.128 29.109 29.700 -1.199 0.000 0.756 320 E HN 0.450 nan 8.360 nan 0.000 0.477 321 Q N -0.483 119.190 119.800 -0.212 0.000 2.016 321 Q HA -0.209 4.130 4.340 -0.001 0.000 0.200 321 Q C 1.752 177.705 176.000 -0.078 0.000 0.978 321 Q CA 1.506 57.206 55.803 -0.171 0.000 0.833 321 Q CB -0.205 28.399 28.738 -0.224 0.000 0.895 321 Q HN 0.417 nan 8.270 nan 0.000 0.427 322 Y N -0.564 119.724 120.300 -0.021 0.000 2.165 322 Y HA -0.278 4.272 4.550 -0.001 0.000 0.286 322 Y C 2.062 178.022 175.900 0.099 0.000 1.155 322 Y CA 1.448 59.578 58.100 0.051 0.000 1.164 322 Y CB -0.168 38.351 38.460 0.099 0.000 0.978 322 Y HN 0.281 nan 8.280 nan 0.000 0.513 323 F N 1.115 121.154 119.950 0.150 0.000 2.134 323 F HA -0.242 4.285 4.527 -0.001 0.000 0.299 323 F C 1.925 177.739 175.800 0.023 0.000 1.097 323 F CA 1.825 59.888 58.000 0.106 0.000 1.264 323 F CB -0.429 38.688 39.000 0.196 0.000 1.001 323 F HN 0.021 nan 8.300 nan 0.000 0.479 324 D N -0.306 120.050 120.400 -0.073 0.000 2.224 324 D HA -0.118 4.521 4.640 -0.001 0.000 0.205 324 D C 2.382 178.618 176.300 -0.107 0.000 0.965 324 D CA 0.995 54.893 54.000 -0.170 0.000 0.852 324 D CB -0.240 40.498 40.800 -0.103 0.000 0.947 324 D HN 0.351 nan 8.370 nan 0.000 0.494 325 M N 0.436 120.014 119.600 -0.037 0.000 2.077 325 M HA -0.057 4.423 4.480 -0.001 0.000 0.261 325 M C 2.197 178.632 176.300 0.226 0.000 1.070 325 M CA 1.179 56.534 55.300 0.092 0.000 1.125 325 M CB -0.202 32.424 32.600 0.045 0.000 1.339 325 M HN 0.016 nan 8.290 nan 0.000 0.409 326 I N -2.051 118.604 120.570 0.141 0.000 3.334 326 I HA -0.041 4.129 4.170 -0.001 0.000 0.282 326 I C 1.194 177.310 176.117 -0.002 0.000 1.313 326 I CA 1.180 62.550 61.300 0.116 0.000 1.396 326 I CB -0.683 37.393 38.000 0.126 0.000 1.054 326 I HN 0.269 nan 8.210 nan 0.000 0.495 327 T N -1.728 112.750 114.554 -0.126 0.000 3.132 327 T HA 0.565 4.914 4.350 -0.001 0.000 0.274 327 T C 0.795 175.464 174.700 -0.052 0.000 1.011 327 T CA 0.049 62.045 62.100 -0.173 0.000 0.899 327 T CB -0.107 68.445 68.868 -0.527 0.000 1.089 327 T HN 0.329 nan 8.240 nan 0.000 0.543 328 A N 1.514 124.354 122.820 0.033 0.000 2.540 328 A HA 0.260 4.580 4.320 -0.001 0.000 0.239 328 A C 1.037 178.680 177.584 0.099 0.000 1.061 328 A CA -0.092 51.994 52.037 0.081 0.000 0.758 328 A CB 0.020 19.132 19.000 0.187 0.000 0.991 328 A HN 0.318 nan 8.150 nan 0.000 0.502 329 D N 0.084 120.530 120.400 0.076 0.000 2.355 329 D HA 0.101 4.741 4.640 -0.001 0.000 0.218 329 D C 0.618 176.978 176.300 0.099 0.000 1.004 329 D CA 1.506 55.556 54.000 0.083 0.000 0.880 329 D CB 0.105 40.943 40.800 0.063 0.000 0.911 329 D HN 0.690 nan 8.370 nan 0.000 0.528 330 S N -1.649 114.121 115.700 0.116 0.000 2.611 330 S HA 0.194 4.664 4.470 -0.001 0.000 0.268 330 S C 0.255 174.958 174.600 0.172 0.000 1.156 330 S CA -0.835 57.449 58.200 0.141 0.000 0.817 330 S CB 0.453 63.708 63.200 0.091 0.000 1.122 330 S HN -0.130 nan 8.310 nan 0.000 0.466 331 F N 1.689 121.650 119.950 0.018 0.000 2.171 331 F HA 0.029 4.555 4.527 -0.001 0.000 0.300 331 F C 1.657 177.404 175.800 -0.089 0.000 1.090 331 F CA 1.898 59.808 58.000 -0.150 0.000 1.293 331 F CB -0.517 38.371 39.000 -0.186 0.000 1.013 331 F HN 0.679 nan 8.300 nan 0.000 0.486 332 D N 0.349 120.643 120.400 -0.178 0.000 2.117 332 D HA -0.181 4.458 4.640 -0.001 0.000 0.197 332 D C 1.872 178.029 176.300 -0.238 0.000 0.987 332 D CA 1.562 55.409 54.000 -0.255 0.000 0.829 332 D CB -0.436 40.307 40.800 -0.095 0.000 0.961 332 D HN 0.337 nan 8.370 nan 0.000 0.460 333 D N -0.319 120.008 120.400 -0.122 0.000 2.144 333 D HA -0.164 4.475 4.640 -0.001 0.000 0.199 333 D C 1.962 178.185 176.300 -0.128 0.000 0.984 333 D CA 0.576 54.519 54.000 -0.095 0.000 0.834 333 D CB -0.386 40.400 40.800 -0.023 0.000 0.955 333 D HN 0.309 nan 8.370 nan 0.000 0.465 334 Y N 2.072 122.224 120.300 -0.247 0.000 2.114 334 Y HA -0.186 4.364 4.550 -0.001 0.000 0.284 334 Y C 2.133 177.819 175.900 -0.356 0.000 1.143 334 Y CA 1.751 59.698 58.100 -0.255 0.000 1.135 334 Y CB -0.184 38.112 38.460 -0.274 0.000 0.980 334 Y HN -0.073 nan 8.280 nan 0.000 0.499 335 E N 0.146 119.970 120.200 -0.628 0.000 2.085 335 E HA -0.234 4.116 4.350 -0.001 0.000 0.194 335 E C 2.373 178.698 176.600 -0.458 0.000 0.994 335 E CA 0.976 56.990 56.400 -0.644 0.000 0.801 335 E CB -0.370 28.938 29.700 -0.654 0.000 0.743 335 E HN 0.614 nan 8.360 nan 0.000 0.453 336 A N 1.550 124.158 122.820 -0.353 0.000 1.908 336 A HA -0.156 4.163 4.320 -0.001 0.000 0.218 336 A C 2.387 179.815 177.584 -0.259 0.000 1.181 336 A CA 1.861 53.747 52.037 -0.252 0.000 0.627 336 A CB -0.567 18.320 19.000 -0.188 0.000 0.818 336 A HN 0.302 nan 8.150 nan 0.000 0.445 337 A N -0.653 121.988 122.820 -0.298 0.000 1.898 337 A HA 0.031 4.351 4.320 -0.001 0.000 0.216 337 A C 2.113 179.486 177.584 -0.351 0.000 1.181 337 A CA 1.617 53.482 52.037 -0.286 0.000 0.620 337 A CB -0.625 18.218 19.000 -0.261 0.000 0.819 337 A HN 0.716 nan 8.150 nan 0.000 0.442 338 L N 0.032 120.956 121.223 -0.498 0.000 2.079 338 L HA -0.065 4.274 4.340 -0.001 0.000 0.210 338 L C 2.482 179.150 176.870 -0.335 0.000 1.081 338 L CA 2.157 56.700 54.840 -0.495 0.000 0.752 338 L CB -0.693 40.958 42.059 -0.680 0.000 0.896 338 L HN 0.324 nan 8.230 nan 0.000 0.433 339 A N -0.718 121.925 122.820 -0.296 0.000 2.216 339 A HA -0.148 4.171 4.320 -0.001 0.000 0.214 339 A C 2.245 179.724 177.584 -0.176 0.000 1.160 339 A CA 1.092 53.003 52.037 -0.209 0.000 0.725 339 A CB -0.664 18.224 19.000 -0.186 0.000 0.784 339 A HN 0.554 nan 8.150 nan 0.000 0.472 340 R N -1.392 118.991 120.500 -0.195 0.000 2.235 340 R HA 0.015 4.354 4.340 -0.001 0.000 0.213 340 R C -0.007 176.196 176.300 -0.162 0.000 1.059 340 R CA 0.568 56.566 56.100 -0.170 0.000 0.997 340 R CB -0.235 29.954 30.300 -0.186 0.000 0.884 340 R HN 0.398 nan 8.270 nan 0.000 0.462 341 M N 0.785 120.279 119.600 -0.176 0.000 2.249 341 M HA -0.217 4.262 4.480 -0.001 0.000 0.198 341 M C -0.111 176.093 176.300 -0.161 0.000 0.394 341 M CA 0.861 56.067 55.300 -0.158 0.000 0.427 341 M CB -1.761 30.770 32.600 -0.115 0.000 1.307 341 M HN 0.201 nan 8.290 nan 0.000 0.924 342 Q N -0.836 118.849 119.800 -0.192 0.000 2.352 342 Q HA 0.310 4.650 4.340 -0.001 0.000 0.212 342 Q C 0.623 176.524 176.000 -0.164 0.000 0.888 342 Q CA 0.381 56.063 55.803 -0.202 0.000 0.934 342 Q CB 1.014 29.610 28.738 -0.237 0.000 1.093 342 Q HN 0.537 nan 8.270 nan 0.000 0.523 343 V N 4.938 124.749 119.914 -0.172 0.000 2.348 343 V HA 0.103 4.222 4.120 -0.001 0.000 0.270 343 V C -1.346 174.656 176.094 -0.153 0.000 1.037 343 V CA -1.035 61.185 62.300 -0.133 0.000 0.872 343 V CB 1.408 33.097 31.823 -0.222 0.000 1.002 343 V HN 0.065 nan 8.190 nan 0.000 0.464 344 P HA -0.052 nan 4.420 nan 0.000 0.225 344 P C 0.597 177.729 177.300 -0.279 0.000 1.148 344 P CA 1.164 64.166 63.100 -0.164 0.000 0.779 344 P CB 0.709 32.354 31.700 -0.093 0.000 0.780 345 T N -2.662 111.633 114.554 -0.432 0.000 2.649 345 T HA 0.525 4.874 4.350 -0.001 0.000 0.305 345 T C -1.734 172.648 174.700 -0.530 0.000 1.409 345 T CA -0.540 61.219 62.100 -0.567 0.000 1.021 345 T CB 0.004 68.443 68.868 -0.715 0.000 1.726 345 T HN -0.054 nan 8.240 nan 0.000 0.475 346 F N 0.133 119.923 119.950 -0.267 0.000 2.182 346 F HA -0.095 4.432 4.527 -0.001 0.000 0.325 346 F C 0.020 175.662 175.800 -0.264 0.000 1.295 346 F CA -0.838 57.028 58.000 -0.223 0.000 0.940 346 F CB -0.217 38.694 39.000 -0.149 0.000 4.103 346 F HN 0.542 nan 8.300 nan 0.000 0.179 347 N N 3.324 122.060 118.700 0.060 0.000 2.472 347 N HA 0.640 5.379 4.740 -0.001 0.000 0.277 347 N C -0.668 174.868 175.510 0.044 0.000 1.081 347 N CA -0.207 52.849 53.050 0.011 0.000 0.973 347 N CB 1.445 40.077 38.487 0.240 0.000 1.105 347 N HN 0.404 nan 8.380 nan 0.000 0.470 348 I N 1.881 122.434 120.570 -0.028 0.000 2.436 348 I HA 0.287 4.456 4.170 -0.001 0.000 0.289 348 I C -0.432 175.766 176.117 0.134 0.000 1.010 348 I CA -0.930 60.406 61.300 0.059 0.000 1.098 348 I CB 1.959 39.993 38.000 0.056 0.000 1.266 348 I HN -0.039 nan 8.210 nan 0.000 0.434 349 V N 6.739 126.775 119.914 0.203 0.000 2.417 349 V HA 0.346 4.465 4.120 -0.001 0.000 0.291 349 V C -0.898 175.328 176.094 0.220 0.000 1.024 349 V CA -0.693 61.763 62.300 0.260 0.000 0.861 349 V CB 1.658 33.659 31.823 0.296 0.000 0.985 349 V HN 0.549 nan 8.190 nan 0.000 0.436 350 Y N 3.888 124.206 120.300 0.029 0.000 2.468 350 Y HA 0.834 5.384 4.550 -0.001 0.000 0.342 350 Y C -0.157 175.647 175.900 -0.161 0.000 1.021 350 Y CA -0.503 57.498 58.100 -0.164 0.000 1.079 350 Y CB 1.865 40.050 38.460 -0.457 0.000 1.226 350 Y HN 0.766 nan 8.280 nan 0.000 0.460 351 A N 4.418 126.697 122.820 -0.903 0.000 2.566 351 A HA 0.592 4.911 4.320 -0.001 0.000 0.297 351 A C -1.988 174.706 177.584 -1.484 0.000 1.059 351 A CA -0.500 51.060 52.037 -0.794 0.000 0.691 351 A CB 1.314 20.119 19.000 -0.325 0.000 1.282 351 A HN 0.814 nan 8.150 nan 0.000 0.401 352 D N -0.161 119.548 120.400 -1.151 0.000 2.652 352 D HA 0.371 5.011 4.640 -0.001 0.000 0.285 352 D C 0.841 176.732 176.300 -0.680 0.000 1.173 352 D CA -0.519 52.801 54.000 -1.133 0.000 0.981 352 D CB 0.550 41.064 40.800 -0.476 0.000 1.440 352 D HN 0.497 nan 8.370 nan 0.000 0.485 353 R N -0.384 119.922 120.500 -0.324 0.000 2.189 353 R HA -0.011 4.328 4.340 -0.001 0.000 0.223 353 R C 0.478 176.758 176.300 -0.033 0.000 1.092 353 R CA 1.017 57.102 56.100 -0.025 0.000 0.989 353 R CB -0.445 29.911 30.300 0.094 0.000 0.876 353 R HN 0.300 nan 8.270 nan 0.000 0.457 354 E N 0.437 120.605 120.200 -0.053 0.000 2.478 354 E HA 0.055 4.405 4.350 -0.001 0.000 0.198 354 E C 1.006 177.579 176.600 -0.044 0.000 1.046 354 E CA 0.997 57.384 56.400 -0.022 0.000 0.870 354 E CB 0.291 29.996 29.700 0.009 0.000 0.818 354 E HN 0.674 nan 8.360 nan 0.000 0.527 355 G N -0.154 108.596 108.800 -0.085 0.000 2.176 355 G HA2 -0.245 3.715 3.960 -0.001 0.000 0.232 355 G HA3 -0.245 3.715 3.960 -0.001 0.000 0.232 355 G C 0.449 175.281 174.900 -0.113 0.000 0.986 355 G CA 0.198 45.246 45.100 -0.085 0.000 0.643 355 G HN 0.260 nan 8.290 nan 0.000 0.522 356 T N 1.521 115.991 114.554 -0.139 0.000 2.889 356 T HA 0.617 4.967 4.350 -0.001 0.000 0.291 356 T C 0.508 175.106 174.700 -0.170 0.000 0.995 356 T CA 0.595 62.570 62.100 -0.209 0.000 1.092 356 T CB 1.208 69.857 68.868 -0.365 0.000 0.954 356 T HN 1.017 nan 8.240 nan 0.000 0.506 357 I N 0.955 121.424 120.570 -0.170 0.000 2.686 357 I HA 0.723 4.893 4.170 -0.001 0.000 0.295 357 I C -0.976 175.118 176.117 -0.039 0.000 1.114 357 I CA -0.906 60.366 61.300 -0.047 0.000 1.038 357 I CB 2.385 40.380 38.000 -0.009 0.000 1.238 357 I HN 0.462 nan 8.210 nan 0.000 0.420 358 N N 3.880 122.648 118.700 0.114 0.000 2.331 358 N HA 0.363 5.103 4.740 -0.001 0.000 0.280 358 N C -2.357 173.325 175.510 0.288 0.000 1.155 358 N CA -0.319 52.835 53.050 0.173 0.000 0.822 358 N CB 3.072 41.686 38.487 0.212 0.000 1.619 358 N HN 0.794 nan 8.380 nan 0.000 0.476 359 Y N 1.391 121.799 120.300 0.180 0.000 2.409 359 Y HA 0.616 5.165 4.550 -0.001 0.000 0.343 359 Y C -1.402 174.613 175.900 0.192 0.000 0.973 359 Y CA -0.331 57.880 58.100 0.185 0.000 1.064 359 Y CB 1.627 40.183 38.460 0.159 0.000 1.207 359 Y HN 0.400 nan 8.280 nan 0.000 0.452 360 S N 6.672 121.852 115.700 -0.867 0.000 2.677 360 S HA 0.277 4.746 4.470 -0.001 0.000 0.283 360 S C -1.548 172.617 174.600 -0.725 0.000 1.159 360 S CA -0.607 57.200 58.200 -0.654 0.000 1.001 360 S CB 0.621 63.694 63.200 -0.211 0.000 1.032 360 S HN 0.627 nan 8.310 nan 0.000 0.487 361 F N 4.584 124.122 119.950 -0.687 0.000 2.566 361 F HA 0.372 4.899 4.527 -0.001 0.000 0.349 361 F C 0.319 175.972 175.800 -0.245 0.000 1.245 361 F CA -0.496 57.291 58.000 -0.355 0.000 1.169 361 F CB -0.372 38.469 39.000 -0.265 0.000 1.470 361 F HN 0.573 nan 8.300 nan 0.000 0.634 362 N N 3.206 121.667 118.700 -0.399 0.000 2.495 362 N HA 0.776 5.515 4.740 -0.001 0.000 0.280 362 N C -0.162 175.126 175.510 -0.369 0.000 1.168 362 N CA 0.507 53.372 53.050 -0.308 0.000 0.978 362 N CB 1.435 39.786 38.487 -0.226 0.000 1.191 362 N HN 0.814 nan 8.380 nan 0.000 0.497 363 G N -0.672 107.975 108.800 -0.254 0.000 2.368 363 G HA2 0.111 4.070 3.960 -0.001 0.000 0.302 363 G HA3 0.111 4.070 3.960 -0.001 0.000 0.302 363 G C -1.863 172.947 174.900 -0.150 0.000 1.329 363 G CA -0.697 44.261 45.100 -0.238 0.000 0.935 363 G HN 0.490 nan 8.290 nan 0.000 0.590 364 V N 1.370 121.203 119.914 -0.135 0.000 2.259 364 V HA 0.629 4.749 4.120 -0.001 0.000 0.267 364 V C 0.796 176.819 176.094 -0.117 0.000 1.051 364 V CA 0.144 62.385 62.300 -0.100 0.000 0.830 364 V CB 0.489 32.264 31.823 -0.080 0.000 1.080 364 V HN 1.514 nan 8.190 nan 0.000 0.467 365 A N 7.554 130.339 122.820 -0.058 0.000 2.274 365 A HA 0.802 5.122 4.320 -0.001 0.000 0.309 365 A C -2.674 174.801 177.584 -0.181 0.000 1.226 365 A CA -1.742 50.267 52.037 -0.046 0.000 0.853 365 A CB 0.681 19.797 19.000 0.194 0.000 1.146 365 A HN 0.547 nan 8.150 nan 0.000 0.518 366 P HA 0.138 nan 4.420 nan 0.000 0.271 366 P C -0.615 176.281 177.300 -0.672 0.000 1.216 366 P CA 0.013 62.624 63.100 -0.816 0.000 0.771 366 P CB 0.536 31.105 31.700 -1.886 0.000 0.864 367 K N 4.118 124.180 120.400 -0.564 0.000 2.349 367 K HA 0.277 4.596 4.320 -0.001 0.000 0.288 367 K C 0.063 176.457 176.600 -0.343 0.000 1.058 367 K CA -0.068 55.933 56.287 -0.478 0.000 0.953 367 K CB 0.503 32.780 32.500 -0.372 0.000 0.997 367 K HN 0.331 nan 8.250 nan 0.000 0.477 368 R N 0.972 121.203 120.500 -0.449 0.000 2.670 368 R HA 0.275 4.615 4.340 -0.001 0.000 0.289 368 R C 0.390 176.732 176.300 0.070 0.000 0.965 368 R CA -0.316 55.554 56.100 -0.384 0.000 0.899 368 R CB 1.570 31.214 30.300 -1.093 0.000 1.173 368 R HN 0.709 nan 8.270 nan 0.000 0.456 369 A N 1.877 124.793 122.820 0.160 0.000 2.072 369 A HA 0.013 4.332 4.320 -0.001 0.000 0.216 369 A C 0.179 177.902 177.584 0.233 0.000 1.156 369 A CA 1.020 53.167 52.037 0.184 0.000 0.701 369 A CB -0.317 18.757 19.000 0.123 0.000 0.816 369 A HN 0.765 nan 8.150 nan 0.000 0.458 370 E N -3.249 117.150 120.200 0.332 0.000 2.454 370 E HA 0.508 4.858 4.350 -0.001 0.000 0.279 370 E C -0.131 176.796 176.600 0.545 0.000 1.029 370 E CA -0.853 55.741 56.400 0.323 0.000 0.831 370 E CB 0.721 30.510 29.700 0.148 0.000 1.405 370 E HN 1.272 nan 8.360 nan 0.000 0.463 371 G N 1.535 110.524 108.800 0.316 0.000 2.862 371 G HA2 -0.044 3.916 3.960 -0.001 0.000 0.686 371 G HA3 -0.044 3.916 3.960 -0.001 0.000 0.686 371 G C -0.692 174.618 174.900 0.683 0.000 1.134 371 G CA -0.104 45.175 45.100 0.299 0.000 0.791 371 G HN 0.948 nan 8.290 nan 0.000 0.592 372 D N 0.642 121.343 120.400 0.501 0.000 2.478 372 D HA 0.491 5.130 4.640 -0.001 0.000 0.269 372 D C 1.861 178.554 176.300 0.655 0.000 1.232 372 D CA -0.476 53.826 54.000 0.502 0.000 1.059 372 D CB 0.645 41.629 40.800 0.307 0.000 1.104 372 D HN 0.515 nan 8.370 nan 0.000 0.566 373 I N -0.483 120.385 120.570 0.497 0.000 2.361 373 I HA -0.238 3.932 4.170 -0.001 0.000 0.251 373 I C 2.031 178.374 176.117 0.376 0.000 1.133 373 I CA 1.352 62.931 61.300 0.464 0.000 1.413 373 I CB -0.185 38.016 38.000 0.335 0.000 1.073 373 I HN 0.545 nan 8.210 nan 0.000 0.424 374 A N 0.380 123.382 122.820 0.304 0.000 1.930 374 A HA -0.266 4.053 4.320 -0.001 0.000 0.217 374 A C 2.135 179.829 177.584 0.184 0.000 1.175 374 A CA 1.499 53.663 52.037 0.211 0.000 0.627 374 A CB -1.003 18.103 19.000 0.177 0.000 0.815 374 A HN 0.576 nan 8.150 nan 0.000 0.443 375 F N -0.805 119.192 119.950 0.078 0.000 2.102 375 F HA -0.143 4.384 4.527 -0.001 0.000 0.298 375 F C 1.746 177.417 175.800 -0.214 0.000 1.105 375 F CA 1.534 59.467 58.000 -0.113 0.000 1.239 375 F CB -0.426 38.454 39.000 -0.199 0.000 0.991 375 F HN 0.360 nan 8.300 nan 0.000 0.474 376 W N 0.740 122.093 121.300 0.088 0.000 2.937 376 W HA 0.031 4.690 4.660 -0.001 0.000 0.245 376 W C 2.147 178.614 176.519 -0.088 0.000 1.306 376 W CA 0.545 57.862 57.345 -0.046 0.000 1.470 376 W CB -0.416 29.117 29.460 0.122 0.000 1.132 376 W HN 0.128 nan 8.180 nan 0.000 0.675 377 Q N -0.520 119.344 119.800 0.106 0.000 2.302 377 Q HA 0.126 4.466 4.340 -0.001 0.000 0.202 377 Q C 1.502 177.475 176.000 -0.045 0.000 0.936 377 Q CA 0.589 56.428 55.803 0.060 0.000 0.886 377 Q CB 0.020 28.813 28.738 0.091 0.000 0.986 377 Q HN 0.169 nan 8.270 nan 0.000 0.487 378 G N 0.146 108.862 108.800 -0.140 0.000 2.557 378 G HA2 0.457 4.416 3.960 -0.001 0.000 0.302 378 G HA3 0.457 4.416 3.960 -0.001 0.000 0.302 378 G C -0.634 174.090 174.900 -0.293 0.000 1.311 378 G CA -0.790 44.202 45.100 -0.180 0.000 1.030 378 G HN 0.071 nan 8.290 nan 0.000 0.509 379 L N 0.675 121.750 121.223 -0.247 0.000 2.562 379 L HA 0.102 4.441 4.340 -0.001 0.000 0.271 379 L C 0.135 176.738 176.870 -0.445 0.000 1.167 379 L CA -0.228 54.450 54.840 -0.270 0.000 0.917 379 L CB 0.406 42.370 42.059 -0.158 0.000 1.187 379 L HN -0.005 nan 8.230 nan 0.000 0.482 380 V N 5.810 125.386 119.914 -0.563 0.000 2.743 380 V HA 0.280 4.400 4.120 -0.001 0.000 0.301 380 V C -2.002 173.886 176.094 -0.344 0.000 1.057 380 V CA -1.804 60.041 62.300 -0.759 0.000 1.006 380 V CB 1.543 32.812 31.823 -0.923 0.000 1.024 380 V HN 0.609 nan 8.190 nan 0.000 0.473 381 P HA 0.138 nan 4.420 nan 0.000 0.267 381 P C 0.513 177.924 177.300 0.184 0.000 1.205 381 P CA 0.283 63.330 63.100 -0.089 0.000 0.765 381 P CB 0.562 32.167 31.700 -0.157 0.000 0.828 382 G N 2.016 110.923 108.800 0.178 0.000 3.523 382 G HA2 0.028 3.987 3.960 -0.001 0.000 0.270 382 G HA3 0.028 3.987 3.960 -0.001 0.000 0.270 382 G C 0.099 175.247 174.900 0.413 0.000 1.134 382 G CA -0.195 45.005 45.100 0.166 0.000 0.825 382 G HN 0.498 nan 8.290 nan 0.000 0.534 383 D N -1.003 119.591 120.400 0.324 0.000 2.501 383 D HA 0.219 4.859 4.640 -0.001 0.000 0.224 383 D C 0.261 176.586 176.300 0.041 0.000 1.202 383 D CA -0.464 53.692 54.000 0.260 0.000 0.829 383 D CB 0.500 41.399 40.800 0.166 0.000 1.023 383 D HN -0.010 nan 8.370 nan 0.000 0.499 384 S N -0.639 115.072 115.700 0.020 0.000 2.536 384 S HA 0.368 4.837 4.470 -0.001 0.000 0.271 384 S C 0.646 175.095 174.600 -0.252 0.000 1.134 384 S CA -0.198 57.887 58.200 -0.191 0.000 0.897 384 S CB 1.460 64.736 63.200 0.127 0.000 1.094 384 S HN 0.076 nan 8.310 nan 0.000 0.473 385 S N 3.694 119.104 115.700 -0.482 0.000 2.515 385 S HA 0.023 4.493 4.470 -0.001 0.000 0.231 385 S C 1.506 176.106 174.600 -0.000 0.000 0.987 385 S CA 0.209 58.321 58.200 -0.147 0.000 0.936 385 S CB -0.276 62.864 63.200 -0.101 0.000 0.766 385 S HN 0.732 nan 8.310 nan 0.000 0.528 386 R N -0.186 120.263 120.500 -0.085 0.000 2.193 386 R HA 0.010 4.350 4.340 -0.001 0.000 0.229 386 R C 0.707 176.901 176.300 -0.176 0.000 1.110 386 R CA 1.366 57.342 56.100 -0.206 0.000 0.988 386 R CB -0.266 29.772 30.300 -0.437 0.000 0.871 386 R HN 0.606 nan 8.270 nan 0.000 0.458 387 Y N -0.877 119.624 120.300 0.335 0.000 2.507 387 Y HA 0.167 4.716 4.550 -0.001 0.000 0.254 387 Y C 0.005 176.310 175.900 0.675 0.000 1.171 387 Y CA -0.589 57.868 58.100 0.595 0.000 1.238 387 Y CB 0.587 39.383 38.460 0.560 0.000 1.148 387 Y HN -0.070 nan 8.280 nan 0.000 0.525 388 L N 3.291 124.783 121.223 0.448 0.000 2.282 388 L HA 0.236 4.575 4.340 -0.001 0.000 0.287 388 L C 0.012 176.974 176.870 0.154 0.000 1.075 388 L CA -1.058 53.893 54.840 0.185 0.000 0.839 388 L CB -0.191 41.884 42.059 0.027 0.000 1.219 388 L HN 0.150 nan 8.230 nan 0.000 0.434 389 W N 3.256 124.710 121.300 0.257 0.000 2.161 389 W HA 0.476 5.136 4.660 -0.001 0.000 0.344 389 W C 0.128 176.685 176.519 0.063 0.000 1.262 389 W CA -0.141 57.258 57.345 0.091 0.000 1.270 389 W CB 0.116 29.556 29.460 -0.034 0.000 1.126 389 W HN 0.641 nan 8.180 nan 0.000 0.598 390 T N -2.713 112.047 114.554 0.343 0.000 3.186 390 T HA 0.230 4.580 4.350 -0.001 0.000 0.292 390 T C -0.259 174.567 174.700 0.210 0.000 0.915 390 T CA -0.221 62.012 62.100 0.221 0.000 0.902 390 T CB 0.221 69.143 68.868 0.091 0.000 1.192 390 T HN 0.471 nan 8.240 nan 0.000 0.563 391 E N 1.642 121.952 120.200 0.183 0.000 2.336 391 E HA 0.631 4.981 4.350 -0.001 0.000 0.267 391 E C -0.893 175.670 176.600 -0.062 0.000 0.906 391 E CA -0.935 55.493 56.400 0.048 0.000 0.781 391 E CB 2.257 31.952 29.700 -0.008 0.000 1.261 391 E HN 0.413 nan 8.360 nan 0.000 0.436 392 T N -1.684 112.807 114.554 -0.104 0.000 2.893 392 T HA 0.353 4.702 4.350 -0.001 0.000 0.291 392 T C -0.418 174.179 174.700 -0.171 0.000 1.028 392 T CA -0.977 61.013 62.100 -0.183 0.000 0.995 392 T CB 0.943 69.754 68.868 -0.096 0.000 1.051 392 T HN 0.321 nan 8.240 nan 0.000 0.470 393 H N 2.939 121.996 119.070 -0.022 0.000 2.848 393 H HA 0.286 4.841 4.556 -0.001 0.000 0.341 393 H C -1.954 173.366 175.328 -0.013 0.000 1.060 393 H CA -0.982 55.070 56.048 0.006 0.000 1.444 393 H CB 0.767 30.553 29.762 0.041 0.000 1.446 393 H HN 0.538 nan 8.280 nan 0.000 0.583 394 P HA -0.045 nan 4.420 nan 0.000 0.276 394 P C 1.144 178.463 177.300 0.033 0.000 1.252 394 P CA -0.584 62.539 63.100 0.038 0.000 0.802 394 P CB 1.379 33.094 31.700 0.024 0.000 1.035 395 L N 1.526 122.736 121.223 -0.021 0.000 2.051 395 L HA -0.219 4.120 4.340 -0.001 0.000 0.214 395 L C 1.607 178.474 176.870 -0.005 0.000 1.076 395 L CA 2.118 56.934 54.840 -0.040 0.000 0.758 395 L CB -1.372 40.632 42.059 -0.092 0.000 0.890 395 L HN 0.283 nan 8.230 nan 0.000 0.433 396 D N -0.579 119.823 120.400 0.004 0.000 2.351 396 D HA -0.139 4.501 4.640 -0.001 0.000 0.216 396 D C 1.249 177.582 176.300 0.055 0.000 0.968 396 D CA 0.995 55.009 54.000 0.025 0.000 0.899 396 D CB -0.080 40.726 40.800 0.010 0.000 0.907 396 D HN 0.506 nan 8.370 nan 0.000 0.514 397 D N -0.324 120.117 120.400 0.068 0.000 2.354 397 D HA 0.095 4.735 4.640 -0.001 0.000 0.209 397 D C 0.674 177.055 176.300 0.135 0.000 1.015 397 D CA 0.097 54.139 54.000 0.070 0.000 0.867 397 D CB 0.595 41.434 40.800 0.065 0.000 0.933 397 D HN 0.203 nan 8.370 nan 0.000 0.520 398 L N 1.046 122.330 121.223 0.101 0.000 2.357 398 L HA 0.367 4.706 4.340 -0.001 0.000 0.273 398 L C -2.195 174.648 176.870 -0.044 0.000 1.080 398 L CA -2.121 52.737 54.840 0.031 0.000 0.803 398 L CB 0.894 42.972 42.059 0.032 0.000 1.174 398 L HN -0.352 nan 8.230 nan 0.000 0.443 399 P HA 0.132 nan 4.420 nan 0.000 0.263 399 P C -1.131 176.093 177.300 -0.127 0.000 1.195 399 P CA 0.311 62.962 63.100 -0.748 0.000 0.762 399 P CB 0.425 31.447 31.700 -1.129 0.000 0.799 400 R N 1.613 122.170 120.500 0.095 0.000 2.707 400 R HA 0.716 5.055 4.340 -0.001 0.000 0.272 400 R C -1.565 174.991 176.300 0.426 0.000 1.011 400 R CA -1.070 55.158 56.100 0.214 0.000 0.893 400 R CB 2.037 32.407 30.300 0.116 0.000 1.233 400 R HN 0.101 nan 8.270 nan 0.000 0.464 401 V N 0.807 120.966 119.914 0.408 0.000 2.668 401 V HA 0.477 4.596 4.120 -0.001 0.000 0.304 401 V C -0.717 175.506 176.094 0.214 0.000 1.071 401 V CA -0.758 61.738 62.300 0.327 0.000 0.894 401 V CB 2.162 34.165 31.823 0.300 0.000 1.008 401 V HN 0.808 nan 8.190 nan 0.000 0.425 402 T N 3.779 118.416 114.554 0.138 0.000 2.841 402 T HA 0.415 4.764 4.350 -0.001 0.000 0.285 402 T C 0.079 174.774 174.700 -0.007 0.000 0.991 402 T CA -0.503 61.627 62.100 0.051 0.000 0.966 402 T CB 0.863 69.777 68.868 0.076 0.000 0.962 402 T HN 0.733 nan 8.240 nan 0.000 0.438 403 N N 2.649 121.315 118.700 -0.057 0.000 2.686 403 N HA -0.111 4.629 4.740 -0.001 0.000 0.261 403 N C -2.267 173.220 175.510 -0.038 0.000 1.001 403 N CA 0.333 53.347 53.050 -0.059 0.000 0.764 403 N CB -0.825 37.617 38.487 -0.075 0.000 0.898 403 N HN 0.505 nan 8.380 nan 0.000 0.544 404 P HA 0.093 nan 4.420 nan 0.000 0.270 404 P C -1.641 175.620 177.300 -0.066 0.000 1.223 404 P CA -0.960 62.100 63.100 -0.067 0.000 0.785 404 P CB 0.555 32.176 31.700 -0.131 0.000 0.923 405 P HA -0.130 nan 4.420 nan 0.000 0.217 405 P C 1.623 178.902 177.300 -0.034 0.000 1.148 405 P CA 1.922 64.992 63.100 -0.051 0.000 0.828 405 P CB -0.467 31.194 31.700 -0.066 0.000 0.783 406 G N -1.260 107.507 108.800 -0.055 0.000 2.559 406 G HA2 0.058 4.018 3.960 -0.001 0.000 0.216 406 G HA3 0.058 4.018 3.960 -0.001 0.000 0.216 406 G C 1.175 176.158 174.900 0.138 0.000 1.126 406 G CA 0.565 45.688 45.100 0.038 0.000 0.778 406 G HN 0.452 nan 8.290 nan 0.000 0.543 407 G N -1.082 107.742 108.800 0.042 0.000 2.160 407 G HA2 -0.077 3.883 3.960 -0.001 0.000 0.251 407 G HA3 -0.077 3.883 3.960 -0.001 0.000 0.251 407 G C 0.127 175.139 174.900 0.186 0.000 1.008 407 G CA 0.615 45.765 45.100 0.084 0.000 0.724 407 G HN 1.652 nan 8.290 nan 0.000 0.514 408 F N -2.291 117.661 119.950 0.003 0.000 2.744 408 F HA 0.702 5.229 4.527 -0.001 0.000 0.311 408 F C -0.713 175.123 175.800 0.059 0.000 1.144 408 F CA -1.120 56.888 58.000 0.013 0.000 0.938 408 F CB 0.955 39.935 39.000 -0.033 0.000 1.292 408 F HN 0.799 nan 8.300 nan 0.000 0.444 409 V N 0.940 120.928 119.914 0.123 0.000 2.962 409 V HA 0.992 5.111 4.120 -0.001 0.000 0.313 409 V C -1.320 174.999 176.094 0.375 0.000 1.099 409 V CA -0.556 61.783 62.300 0.065 0.000 0.971 409 V CB 1.438 33.360 31.823 0.165 0.000 1.028 409 V HN 1.483 nan 8.190 nan 0.000 0.430 410 Q N 1.598 121.568 119.800 0.282 0.000 2.630 410 Q HA 0.644 4.983 4.340 -0.001 0.000 0.295 410 Q C -1.570 174.542 176.000 0.186 0.000 0.944 410 Q CA -0.579 55.484 55.803 0.434 0.000 0.766 410 Q CB 1.698 30.859 28.738 0.705 0.000 1.471 410 Q HN 0.976 nan 8.270 nan 0.000 0.416 411 N N -0.054 118.783 118.700 0.228 0.000 2.666 411 N HA 0.274 5.014 4.740 -0.001 0.000 0.260 411 N C -1.585 173.987 175.510 0.104 0.000 1.077 411 N CA -0.188 52.935 53.050 0.121 0.000 1.026 411 N CB 1.985 40.560 38.487 0.148 0.000 1.653 411 N HN 0.602 nan 8.380 nan 0.000 0.533 412 S N 2.414 118.159 115.700 0.075 0.000 2.558 412 S HA 0.259 4.728 4.470 -0.001 0.000 0.238 412 S C 0.261 174.877 174.600 0.026 0.000 1.183 412 S CA -0.418 57.800 58.200 0.029 0.000 1.185 412 S CB -0.581 62.669 63.200 0.083 0.000 1.003 412 S HN 0.793 nan 8.310 nan 0.000 0.478 413 N N 1.593 120.314 118.700 0.036 0.000 2.909 413 N HA -0.156 4.583 4.740 -0.001 0.000 0.242 413 N C -0.660 174.849 175.510 -0.003 0.000 0.975 413 N CA 1.186 54.265 53.050 0.048 0.000 0.921 413 N CB -1.002 37.527 38.487 0.070 0.000 1.112 413 N HN 0.638 nan 8.380 nan 0.000 0.581 414 D N 0.202 120.553 120.400 -0.082 0.000 2.313 414 D HA 0.321 4.960 4.640 -0.001 0.000 0.247 414 D C -2.507 173.601 176.300 -0.319 0.000 1.094 414 D CA -1.517 52.319 54.000 -0.272 0.000 0.925 414 D CB 0.286 40.803 40.800 -0.472 0.000 1.188 414 D HN -0.101 nan 8.370 nan 0.000 0.430 415 P HA 0.062 nan 4.420 nan 0.000 0.266 415 P C -1.820 175.112 177.300 -0.613 0.000 1.193 415 P CA -0.755 62.107 63.100 -0.397 0.000 0.770 415 P CB -0.082 31.536 31.700 -0.138 0.000 0.836 416 P HA -0.081 nan 4.420 nan 0.000 0.299 416 P C -0.046 176.963 177.300 -0.485 0.000 1.515 416 P CA 0.712 63.441 63.100 -0.619 0.000 0.770 416 P CB -0.596 30.743 31.700 -0.602 0.000 1.614 417 W N 0.227 121.642 121.300 0.193 0.000 3.197 417 W HA 0.084 4.744 4.660 -0.001 0.000 0.274 417 W C 0.832 177.492 176.519 0.234 0.000 1.297 417 W CA 0.203 57.719 57.345 0.284 0.000 1.662 417 W CB 0.194 29.885 29.460 0.385 0.000 1.106 417 W HN 0.094 nan 8.180 nan 0.000 0.663 418 T N -3.539 111.232 114.554 0.362 0.000 3.839 418 T HA 0.166 4.516 4.350 -0.001 0.000 0.230 418 T C -1.654 173.110 174.700 0.106 0.000 1.095 418 T CA -1.337 60.951 62.100 0.314 0.000 1.470 418 T CB 0.665 69.817 68.868 0.473 0.000 0.881 418 T HN -0.220 nan 8.240 nan 0.000 0.637 419 P HA 0.127 nan 4.420 nan 0.000 0.229 419 P C 0.529 177.684 177.300 -0.243 0.000 1.160 419 P CA 0.750 63.649 63.100 -0.336 0.000 0.777 419 P CB 0.416 31.698 31.700 -0.697 0.000 0.814 420 T N -1.965 112.454 114.554 -0.226 0.000 2.762 420 T HA 0.470 4.819 4.350 -0.001 0.000 0.301 420 T C -2.662 171.987 174.700 -0.085 0.000 1.299 420 T CA -0.693 61.084 62.100 -0.540 0.000 1.005 420 T CB 1.340 69.894 68.868 -0.525 0.000 1.377 420 T HN -0.018 nan 8.240 nan 0.000 0.504 421 W N 4.578 125.645 121.300 -0.387 0.000 3.036 421 W HA 0.411 5.070 4.660 -0.001 0.000 0.337 421 W C -2.761 173.768 176.519 0.017 0.000 1.055 421 W CA -1.918 55.425 57.345 -0.003 0.000 1.248 421 W CB 1.773 31.393 29.460 0.267 0.000 1.335 421 W HN 0.590 nan 8.180 nan 0.000 0.446 422 P HA 0.046 nan 4.420 nan 0.000 0.270 422 P C 0.147 177.237 177.300 -0.350 0.000 1.223 422 P CA 0.184 62.874 63.100 -0.683 0.000 0.785 422 P CB 1.338 32.713 31.700 -0.541 0.000 0.923 423 V N -0.579 119.139 119.914 -0.327 0.000 3.096 423 V HA 0.251 4.370 4.120 -0.001 0.000 0.306 423 V C 1.207 177.169 176.094 -0.220 0.000 1.088 423 V CA 0.776 62.950 62.300 -0.210 0.000 1.129 423 V CB -0.126 31.628 31.823 -0.116 0.000 1.014 423 V HN 0.796 nan 8.190 nan 0.000 0.486 424 T N -0.957 113.431 114.554 -0.277 0.000 3.084 424 T HA 0.447 4.797 4.350 -0.001 0.000 0.270 424 T C -0.112 174.628 174.700 0.066 0.000 1.008 424 T CA 0.456 62.493 62.100 -0.105 0.000 0.900 424 T CB -0.570 68.285 68.868 -0.021 0.000 1.084 424 T HN 1.488 nan 8.240 nan 0.000 0.538 425 Y N -1.206 119.190 120.300 0.160 0.000 2.774 425 Y HA 0.663 5.212 4.550 -0.001 0.000 0.346 425 Y C -0.899 175.143 175.900 0.238 0.000 1.222 425 Y CA -1.389 56.840 58.100 0.215 0.000 1.088 425 Y CB 0.540 39.234 38.460 0.390 0.000 1.354 425 Y HN 0.179 nan 8.280 nan 0.000 0.455 426 T N -2.899 111.930 114.554 0.459 0.000 2.901 426 T HA 0.546 4.895 4.350 -0.001 0.000 0.293 426 T C -2.663 172.016 174.700 -0.036 0.000 1.084 426 T CA -2.425 59.791 62.100 0.193 0.000 1.008 426 T CB 2.393 71.272 68.868 0.017 0.000 1.170 426 T HN 0.361 nan 8.240 nan 0.000 0.509 427 P HA -0.224 nan 4.420 nan 0.000 0.217 427 P C 1.353 178.443 177.300 -0.351 0.000 1.158 427 P CA 1.838 64.256 63.100 -1.135 0.000 0.887 427 P CB -0.089 30.980 31.700 -1.051 0.000 0.792 428 K N -0.995 119.277 120.400 -0.214 0.000 2.360 428 K HA -0.152 4.168 4.320 -0.001 0.000 0.201 428 K C 0.954 177.481 176.600 -0.121 0.000 1.046 428 K CA 1.598 57.811 56.287 -0.124 0.000 0.940 428 K CB -0.710 31.731 32.500 -0.098 0.000 0.748 428 K HN 0.092 nan 8.250 nan 0.000 0.465 429 D N -0.146 120.184 120.400 -0.118 0.000 2.363 429 D HA 0.080 4.720 4.640 -0.001 0.000 0.226 429 D C -0.508 175.306 176.300 -0.809 0.000 1.020 429 D CA 0.613 54.385 54.000 -0.380 0.000 0.892 429 D CB 0.036 40.613 40.800 -0.373 0.000 0.900 429 D HN 0.137 nan 8.370 nan 0.000 0.531 430 F N -0.791 119.093 119.950 -0.110 0.000 2.626 430 F HA 0.360 4.887 4.527 -0.001 0.000 0.311 430 F C -2.118 173.565 175.800 -0.195 0.000 1.088 430 F CA -2.543 55.373 58.000 -0.140 0.000 0.949 430 F CB 0.765 39.719 39.000 -0.077 0.000 1.322 430 F HN -0.406 nan 8.300 nan 0.000 0.461 431 P HA 0.048 nan 4.420 nan 0.000 0.267 431 P C 0.469 177.570 177.300 -0.332 0.000 1.200 431 P CA 0.205 63.072 63.100 -0.390 0.000 0.772 431 P CB 0.629 31.775 31.700 -0.923 0.000 0.855 432 S N 1.029 116.611 115.700 -0.196 0.000 2.515 432 S HA -0.176 4.294 4.470 -0.001 0.000 0.231 432 S C 1.368 176.017 174.600 0.082 0.000 0.987 432 S CA 0.690 58.888 58.200 -0.004 0.000 0.936 432 S CB -1.114 62.139 63.200 0.089 0.000 0.766 432 S HN 0.586 nan 8.310 nan 0.000 0.528 433 Y N 0.019 120.432 120.300 0.188 0.000 2.482 433 Y HA 0.502 5.052 4.550 -0.001 0.000 0.270 433 Y C 1.559 177.541 175.900 0.136 0.000 1.152 433 Y CA -1.022 57.194 58.100 0.194 0.000 1.292 433 Y CB -0.604 37.929 38.460 0.122 0.000 1.070 433 Y HN 0.118 nan 8.280 nan 0.000 0.528 434 L N 0.585 121.819 121.223 0.018 0.000 2.005 434 L HA 0.115 4.454 4.340 -0.001 0.000 0.207 434 L C 1.076 178.022 176.870 0.128 0.000 1.072 434 L CA 1.108 56.006 54.840 0.096 0.000 0.744 434 L CB -0.361 41.634 42.059 -0.106 0.000 0.895 434 L HN 0.409 nan 8.230 nan 0.000 0.433 435 A N -1.165 121.697 122.820 0.069 0.000 2.539 435 A HA 0.658 4.977 4.320 -0.001 0.000 0.296 435 A C -2.529 175.205 177.584 0.249 0.000 1.073 435 A CA -1.217 50.859 52.037 0.064 0.000 0.700 435 A CB 1.227 19.980 19.000 -0.413 0.000 1.296 435 A HN -0.126 nan 8.150 nan 0.000 0.405 436 P HA 0.220 nan 4.420 nan 0.000 0.274 436 P C -0.837 176.706 177.300 0.406 0.000 1.256 436 P CA 0.045 63.307 63.100 0.269 0.000 0.795 436 P CB 0.716 32.533 31.700 0.195 0.000 1.038 437 Q N -0.324 119.681 119.800 0.343 0.000 2.211 437 Q HA 0.164 4.503 4.340 -0.001 0.000 0.301 437 Q C 0.156 176.335 176.000 0.300 0.000 0.884 437 Q CA -0.221 55.815 55.803 0.388 0.000 1.115 437 Q CB 0.202 29.080 28.738 0.234 0.000 1.217 437 Q HN 0.529 nan 8.270 nan 0.000 0.451 438 T N -1.981 112.699 114.554 0.210 0.000 2.849 438 T HA 0.377 4.726 4.350 -0.001 0.000 0.284 438 T C -2.454 172.141 174.700 -0.175 0.000 1.004 438 T CA -1.883 60.264 62.100 0.078 0.000 1.021 438 T CB 0.729 69.633 68.868 0.059 0.000 1.013 438 T HN -0.100 nan 8.240 nan 0.000 0.527 439 P HA 0.103 nan 4.420 nan 0.000 0.265 439 P C -0.225 176.569 177.300 -0.844 0.000 1.193 439 P CA -0.028 62.437 63.100 -1.059 0.000 0.765 439 P CB 0.010 31.461 31.700 -0.415 0.000 0.823 440 H N 0.361 118.569 119.070 -1.437 0.000 2.683 440 H HA 0.172 4.728 4.556 -0.001 0.000 0.339 440 H C 0.995 176.149 175.328 -0.289 0.000 1.081 440 H CA -0.715 55.012 56.048 -0.535 0.000 1.432 440 H CB 0.686 30.320 29.762 -0.212 0.000 1.462 440 H HN 0.481 nan 8.280 nan 0.000 0.557 441 S N 2.862 118.565 115.700 0.005 0.000 2.580 441 S HA -0.024 4.445 4.470 -0.001 0.000 0.266 441 S C 1.476 176.154 174.600 0.130 0.000 1.354 441 S CA -0.688 57.553 58.200 0.068 0.000 1.008 441 S CB 0.626 63.884 63.200 0.097 0.000 0.898 441 S HN 0.588 nan 8.310 nan 0.000 0.555 442 L N 0.511 121.833 121.223 0.165 0.000 2.131 442 L HA -0.092 4.248 4.340 -0.001 0.000 0.210 442 L C 2.985 179.979 176.870 0.207 0.000 1.092 442 L CA 1.714 56.670 54.840 0.193 0.000 0.759 442 L CB -0.607 41.589 42.059 0.228 0.000 0.903 442 L HN 0.825 nan 8.230 nan 0.000 0.435 443 R N 0.652 121.279 120.500 0.212 0.000 2.075 443 R HA -0.128 4.212 4.340 -0.001 0.000 0.232 443 R C 2.382 178.847 176.300 0.276 0.000 1.126 443 R CA 1.325 57.573 56.100 0.248 0.000 0.963 443 R CB -0.210 30.201 30.300 0.184 0.000 0.858 443 R HN 0.271 nan 8.270 nan 0.000 0.435 444 A N 0.864 123.807 122.820 0.205 0.000 1.902 444 A HA -0.199 4.120 4.320 -0.001 0.000 0.217 444 A C 2.069 179.788 177.584 0.226 0.000 1.181 444 A CA 1.457 53.612 52.037 0.196 0.000 0.623 444 A CB -0.457 18.603 19.000 0.099 0.000 0.818 444 A HN 0.524 nan 8.150 nan 0.000 0.443 445 Q N -1.396 118.533 119.800 0.215 0.000 2.079 445 Q HA -0.241 4.098 4.340 -0.001 0.000 0.200 445 Q C 2.323 178.396 176.000 0.122 0.000 0.974 445 Q CA 1.643 57.554 55.803 0.179 0.000 0.840 445 Q CB -0.169 28.678 28.738 0.182 0.000 0.898 445 Q HN 0.732 nan 8.270 nan 0.000 0.430 446 Q N 0.409 120.305 119.800 0.160 0.000 2.124 446 Q HA -0.159 4.180 4.340 -0.001 0.000 0.202 446 Q C 2.067 178.131 176.000 0.107 0.000 0.977 446 Q CA 1.808 57.688 55.803 0.128 0.000 0.850 446 Q CB -0.395 28.465 28.738 0.204 0.000 0.901 446 Q HN 0.243 nan 8.270 nan 0.000 0.429 447 S N -1.400 114.454 115.700 0.257 0.000 2.359 447 S HA -0.134 4.335 4.470 -0.001 0.000 0.224 447 S C 1.873 176.582 174.600 0.181 0.000 1.035 447 S CA 1.445 59.854 58.200 0.349 0.000 1.018 447 S CB -0.487 63.090 63.200 0.630 0.000 0.876 447 S HN 0.304 nan 8.310 nan 0.000 0.448 448 V N 2.228 122.225 119.914 0.138 0.000 2.287 448 V HA -0.169 3.951 4.120 -0.001 0.000 0.248 448 V C 2.781 178.757 176.094 -0.197 0.000 1.053 448 V CA 2.171 64.494 62.300 0.038 0.000 1.027 448 V CB -0.744 31.091 31.823 0.020 0.000 0.646 448 V HN 0.449 nan 8.190 nan 0.000 0.447 449 R N -0.508 119.885 120.500 -0.179 0.000 2.073 449 R HA -0.106 4.233 4.340 -0.001 0.000 0.234 449 R C 2.324 178.451 176.300 -0.287 0.000 1.134 449 R CA 1.490 57.457 56.100 -0.222 0.000 0.952 449 R CB -0.507 29.706 30.300 -0.146 0.000 0.850 449 R HN 0.409 nan 8.270 nan 0.000 0.433 450 L N 0.086 121.128 121.223 -0.301 0.000 2.127 450 L HA -0.234 4.105 4.340 -0.001 0.000 0.211 450 L C 2.523 179.001 176.870 -0.653 0.000 1.089 450 L CA 1.065 55.651 54.840 -0.424 0.000 0.757 450 L CB -0.264 41.544 42.059 -0.419 0.000 0.899 450 L HN 0.250 nan 8.230 nan 0.000 0.434 451 M N -0.879 118.212 119.600 -0.848 0.000 2.257 451 M HA -0.066 4.413 4.480 -0.001 0.000 0.260 451 M C 2.761 178.525 176.300 -0.894 0.000 1.102 451 M CA 1.786 56.420 55.300 -1.110 0.000 1.169 451 M CB -1.064 30.509 32.600 -1.711 0.000 1.323 451 M HN 0.339 nan 8.290 nan 0.000 0.447 452 S N 0.582 115.786 115.700 -0.827 0.000 2.370 452 S HA -0.178 4.292 4.470 -0.001 0.000 0.226 452 S C 1.598 176.100 174.600 -0.163 0.000 1.033 452 S CA 1.503 59.531 58.200 -0.287 0.000 1.011 452 S CB -0.833 62.381 63.200 0.023 0.000 0.852 452 S HN 0.546 nan 8.310 nan 0.000 0.457 453 E N 1.549 121.625 120.200 -0.208 0.000 2.478 453 E HA 0.128 4.478 4.350 -0.001 0.000 0.198 453 E C -0.166 176.342 176.600 -0.153 0.000 1.046 453 E CA 0.101 56.415 56.400 -0.144 0.000 0.870 453 E CB -0.030 29.583 29.700 -0.145 0.000 0.818 453 E HN 0.517 nan 8.360 nan 0.000 0.527 454 N N 0.904 119.479 118.700 -0.208 0.000 2.319 454 N HA 0.221 4.960 4.740 -0.001 0.000 0.305 454 N C -1.091 174.329 175.510 -0.150 0.000 1.103 454 N CA -0.399 52.543 53.050 -0.180 0.000 0.815 454 N CB 2.056 40.410 38.487 -0.223 0.000 1.288 454 N HN -0.073 nan 8.380 nan 0.000 0.493 455 D N -0.905 119.431 120.400 -0.107 0.000 2.592 455 D HA 0.241 4.880 4.640 -0.001 0.000 0.263 455 D C -0.876 175.380 176.300 -0.073 0.000 1.132 455 D CA -0.191 53.761 54.000 -0.080 0.000 0.996 455 D CB 1.107 41.873 40.800 -0.056 0.000 1.442 455 D HN 0.460 nan 8.370 nan 0.000 0.486 456 D N 0.227 120.590 120.400 -0.062 0.000 2.701 456 D HA -0.175 4.465 4.640 -0.001 0.000 0.235 456 D C -0.660 175.601 176.300 -0.065 0.000 1.155 456 D CA 0.519 54.485 54.000 -0.057 0.000 0.649 456 D CB -0.974 39.797 40.800 -0.048 0.000 1.050 456 D HN 0.334 nan 8.370 nan 0.000 0.425 457 L N 0.264 121.440 121.223 -0.078 0.000 2.453 457 L HA 0.233 4.572 4.340 -0.001 0.000 0.272 457 L C 1.500 178.324 176.870 -0.077 0.000 1.182 457 L CA 0.532 55.327 54.840 -0.076 0.000 0.858 457 L CB 0.707 42.712 42.059 -0.089 0.000 1.120 457 L HN 0.246 nan 8.230 nan 0.000 0.474 458 T N -0.536 113.985 114.554 -0.054 0.000 2.949 458 T HA 0.297 4.647 4.350 -0.001 0.000 0.287 458 T C 0.673 175.351 174.700 -0.036 0.000 1.034 458 T CA -0.917 61.149 62.100 -0.056 0.000 1.018 458 T CB 1.681 70.520 68.868 -0.048 0.000 1.135 458 T HN 0.386 nan 8.240 nan 0.000 0.532 459 L N 0.822 122.014 121.223 -0.051 0.000 2.046 459 L HA 0.039 4.379 4.340 -0.001 0.000 0.208 459 L C 2.333 179.196 176.870 -0.012 0.000 1.077 459 L CA 1.960 56.788 54.840 -0.020 0.000 0.747 459 L CB -1.225 40.810 42.059 -0.040 0.000 0.896 459 L HN 0.793 nan 8.230 nan 0.000 0.432 460 E N -0.574 119.581 120.200 -0.074 0.000 2.058 460 E HA -0.243 4.106 4.350 -0.001 0.000 0.194 460 E C 2.311 178.865 176.600 -0.075 0.000 0.997 460 E CA 1.348 57.678 56.400 -0.116 0.000 0.801 460 E CB -0.371 29.265 29.700 -0.107 0.000 0.746 460 E HN 0.277 nan 8.360 nan 0.000 0.450 461 R N 0.069 120.546 120.500 -0.038 0.000 2.075 461 R HA -0.079 4.261 4.340 -0.001 0.000 0.232 461 R C 2.003 178.303 176.300 -0.002 0.000 1.126 461 R CA 1.069 57.148 56.100 -0.035 0.000 0.963 461 R CB -0.945 29.332 30.300 -0.038 0.000 0.858 461 R HN 0.252 nan 8.270 nan 0.000 0.435 462 F N 0.387 120.260 119.950 -0.130 0.000 2.126 462 F HA -0.160 4.366 4.527 -0.001 0.000 0.299 462 F C 1.930 177.696 175.800 -0.057 0.000 1.096 462 F CA 1.923 59.860 58.000 -0.105 0.000 1.255 462 F CB -0.230 38.713 39.000 -0.095 0.000 0.997 462 F HN 0.035 nan 8.300 nan 0.000 0.479 463 M N -0.388 119.153 119.600 -0.098 0.000 2.132 463 M HA -0.143 4.337 4.480 -0.001 0.000 0.263 463 M C 2.448 178.620 176.300 -0.214 0.000 1.065 463 M CA 1.601 56.730 55.300 -0.284 0.000 1.122 463 M CB -0.692 31.684 32.600 -0.374 0.000 1.365 463 M HN 0.249 nan 8.290 nan 0.000 0.411 464 A N 0.536 123.274 122.820 -0.137 0.000 1.908 464 A HA -0.140 4.180 4.320 -0.001 0.000 0.218 464 A C 2.094 179.625 177.584 -0.088 0.000 1.181 464 A CA 1.433 53.413 52.037 -0.095 0.000 0.627 464 A CB -0.977 17.973 19.000 -0.082 0.000 0.818 464 A HN 0.463 nan 8.150 nan 0.000 0.445 465 L N -0.735 120.429 121.223 -0.099 0.000 2.131 465 L HA -0.190 4.149 4.340 -0.001 0.000 0.210 465 L C 2.806 179.703 176.870 0.044 0.000 1.092 465 L CA 1.340 56.136 54.840 -0.073 0.000 0.759 465 L CB -0.457 41.495 42.059 -0.178 0.000 0.903 465 L HN 0.487 nan 8.230 nan 0.000 0.435 466 Q N 0.812 120.629 119.800 0.028 0.000 2.364 466 Q HA -0.139 4.200 4.340 -0.001 0.000 0.207 466 Q C 1.917 177.991 176.000 0.123 0.000 0.970 466 Q CA 1.204 57.027 55.803 0.034 0.000 0.888 466 Q CB 0.026 28.663 28.738 -0.169 0.000 0.951 466 Q HN 0.556 nan 8.270 nan 0.000 0.469 467 L N 0.601 121.851 121.223 0.044 0.000 2.591 467 L HA 0.094 4.434 4.340 -0.001 0.000 0.228 467 L C 0.794 177.629 176.870 -0.057 0.000 1.133 467 L CA -0.324 54.540 54.840 0.040 0.000 0.880 467 L CB 0.041 42.106 42.059 0.010 0.000 1.033 467 L HN -0.113 nan 8.230 nan 0.000 0.450 468 S N 0.583 116.286 115.700 0.004 0.000 2.573 468 S HA -0.073 4.397 4.470 -0.001 0.000 0.297 468 S C 0.562 175.241 174.600 0.131 0.000 1.280 468 S CA 0.216 58.405 58.200 -0.019 0.000 1.061 468 S CB -0.173 63.066 63.200 0.065 0.000 0.812 468 S HN 0.538 nan 8.310 nan 0.000 0.500 469 H N 0.143 119.321 119.070 0.181 0.000 3.186 469 H HA 0.413 4.968 4.556 -0.001 0.000 0.219 469 H C -0.269 175.156 175.328 0.162 0.000 1.393 469 H CA -0.909 55.298 56.048 0.265 0.000 1.183 469 H CB 0.102 30.049 29.762 0.309 0.000 2.346 469 H HN 0.317 nan 8.280 nan 0.000 0.535 470 R N 1.741 122.385 120.500 0.240 0.000 2.438 470 R HA 0.401 4.741 4.340 -0.001 0.000 0.287 470 R C 0.021 176.250 176.300 -0.117 0.000 1.077 470 R CA 0.196 56.282 56.100 -0.024 0.000 1.034 470 R CB 0.671 30.955 30.300 -0.026 0.000 0.993 470 R HN 0.537 nan 8.270 nan 0.000 0.459 471 A N 5.112 127.614 122.820 -0.530 0.000 3.091 471 A HA 0.190 4.510 4.320 -0.001 0.000 0.264 471 A C 1.053 178.483 177.584 -0.258 0.000 1.673 471 A CA -0.534 51.187 52.037 -0.527 0.000 1.362 471 A CB -0.464 17.836 19.000 -1.166 0.000 1.137 471 A HN 0.711 nan 8.150 nan 0.000 0.617 472 V N 1.239 121.143 119.914 -0.016 0.000 2.317 472 V HA -0.368 3.752 4.120 -0.001 0.000 0.251 472 V C 2.568 178.748 176.094 0.144 0.000 1.065 472 V CA 2.686 65.019 62.300 0.055 0.000 1.049 472 V CB -0.903 31.002 31.823 0.138 0.000 0.651 472 V HN 0.927 nan 8.190 nan 0.000 0.450 473 M N 1.128 120.897 119.600 0.282 0.000 2.106 473 M HA -0.193 4.286 4.480 -0.001 0.000 0.259 473 M C 2.007 178.577 176.300 0.450 0.000 1.068 473 M CA 2.391 57.993 55.300 0.504 0.000 1.100 473 M CB -0.710 32.313 32.600 0.705 0.000 1.351 473 M HN 0.270 nan 8.290 nan 0.000 0.404 474 A N -0.386 122.442 122.820 0.013 0.000 1.902 474 A HA -0.171 4.148 4.320 -0.001 0.000 0.217 474 A C 1.943 179.438 177.584 -0.148 0.000 1.181 474 A CA 2.010 53.828 52.037 -0.366 0.000 0.623 474 A CB -1.076 17.280 19.000 -1.074 0.000 0.818 474 A HN 0.613 nan 8.150 nan 0.000 0.443 475 D N -0.535 119.794 120.400 -0.119 0.000 2.178 475 D HA -0.109 4.530 4.640 -0.001 0.000 0.201 475 D C 1.890 178.269 176.300 0.131 0.000 0.980 475 D CA 0.830 54.815 54.000 -0.026 0.000 0.842 475 D CB -0.165 40.623 40.800 -0.020 0.000 0.948 475 D HN 0.266 nan 8.370 nan 0.000 0.472 476 R N -0.076 120.537 120.500 0.189 0.000 2.246 476 R HA 0.050 4.389 4.340 -0.001 0.000 0.199 476 R C 1.935 178.196 176.300 -0.064 0.000 0.984 476 R CA 0.771 56.992 56.100 0.203 0.000 1.015 476 R CB -0.263 30.292 30.300 0.425 0.000 0.930 476 R HN 0.341 nan 8.270 nan 0.000 0.475 477 T N -2.987 111.587 114.554 0.033 0.000 3.019 477 T HA 0.212 4.561 4.350 -0.001 0.000 0.247 477 T C 2.029 176.630 174.700 -0.166 0.000 0.992 477 T CA -0.312 61.735 62.100 -0.089 0.000 1.036 477 T CB -0.234 68.637 68.868 0.006 0.000 1.063 477 T HN -0.057 nan 8.240 nan 0.000 0.476 478 L N 1.432 122.589 121.223 -0.110 0.000 2.079 478 L HA 0.003 4.343 4.340 -0.001 0.000 0.210 478 L C -0.570 176.232 176.870 -0.114 0.000 1.081 478 L CA 1.583 56.334 54.840 -0.147 0.000 0.752 478 L CB -1.711 40.274 42.059 -0.123 0.000 0.896 478 L HN 0.245 nan 8.230 nan 0.000 0.433 479 P HA -0.168 nan 4.420 nan 0.000 0.217 479 P C 0.791 178.078 177.300 -0.023 0.000 1.151 479 P CA 1.499 64.596 63.100 -0.005 0.000 0.849 479 P CB 0.062 31.825 31.700 0.105 0.000 0.787 480 D N -1.911 118.449 120.400 -0.066 0.000 2.259 480 D HA -0.021 4.619 4.640 -0.001 0.000 0.216 480 D C 1.777 178.019 176.300 -0.098 0.000 0.961 480 D CA 0.394 54.359 54.000 -0.058 0.000 0.878 480 D CB -0.921 39.843 40.800 -0.060 0.000 1.009 480 D HN -0.025 nan 8.370 nan 0.000 0.490 481 L N 1.085 122.196 121.223 -0.187 0.000 1.989 481 L HA -0.094 4.246 4.340 -0.001 0.000 0.211 481 L C 2.062 178.811 176.870 -0.202 0.000 1.071 481 L CA 1.450 56.131 54.840 -0.266 0.000 0.749 481 L CB -0.570 41.140 42.059 -0.581 0.000 0.890 481 L HN -0.009 nan 8.230 nan 0.000 0.431 482 I N -0.322 120.143 120.570 -0.175 0.000 2.091 482 I HA -0.271 3.898 4.170 -0.001 0.000 0.239 482 I C -0.210 175.861 176.117 -0.077 0.000 1.061 482 I CA 1.667 62.895 61.300 -0.120 0.000 1.317 482 I CB -1.734 36.211 38.000 -0.092 0.000 1.031 482 I HN 0.247 nan 8.210 nan 0.000 0.401 483 P HA -0.230 nan 4.420 nan 0.000 0.215 483 P C 1.466 178.748 177.300 -0.030 0.000 1.157 483 P CA 2.137 65.217 63.100 -0.033 0.000 0.874 483 P CB -0.064 31.624 31.700 -0.020 0.000 0.790 484 A N -0.337 122.461 122.820 -0.036 0.000 1.933 484 A HA -0.098 4.221 4.320 -0.001 0.000 0.218 484 A C 2.300 179.867 177.584 -0.028 0.000 1.175 484 A CA 2.017 54.040 52.037 -0.023 0.000 0.628 484 A CB -1.567 17.422 19.000 -0.017 0.000 0.814 484 A HN 0.202 nan 8.150 nan 0.000 0.444 485 A N -0.383 122.405 122.820 -0.054 0.000 1.969 485 A HA 0.050 4.369 4.320 -0.001 0.000 0.218 485 A C 2.021 179.585 177.584 -0.033 0.000 1.169 485 A CA 1.234 53.240 52.037 -0.051 0.000 0.635 485 A CB -0.511 18.434 19.000 -0.091 0.000 0.810 485 A HN 0.462 nan 8.150 nan 0.000 0.445 486 L N -0.476 120.727 121.223 -0.033 0.000 2.456 486 L HA -0.065 4.275 4.340 -0.001 0.000 0.224 486 L C 2.082 178.945 176.870 -0.012 0.000 1.148 486 L CA 0.504 55.331 54.840 -0.022 0.000 0.825 486 L CB -0.327 41.719 42.059 -0.022 0.000 0.937 486 L HN 0.399 nan 8.230 nan 0.000 0.450 487 I N -1.096 119.468 120.570 -0.010 0.000 2.500 487 I HA -0.149 4.020 4.170 -0.001 0.000 0.252 487 I C 1.196 177.313 176.117 0.000 0.000 1.142 487 I CA 0.413 61.711 61.300 -0.002 0.000 1.451 487 I CB -0.087 37.914 38.000 0.002 0.000 1.093 487 I HN 0.216 nan 8.210 nan 0.000 0.430 488 D N 1.764 122.164 120.400 -0.000 0.000 2.458 488 D HA -0.024 4.616 4.640 -0.001 0.000 0.243 488 D C -1.725 174.577 176.300 0.002 0.000 1.146 488 D CA -1.154 52.849 54.000 0.004 0.000 0.877 488 D CB 1.804 42.607 40.800 0.005 0.000 1.176 488 D HN -0.021 nan 8.370 nan 0.000 0.461 489 P HA -0.036 nan 4.420 nan 0.000 0.225 489 P C 0.006 177.308 177.300 0.004 0.000 1.156 489 P CA 0.312 63.414 63.100 0.004 0.000 0.787 489 P CB 0.187 31.891 31.700 0.005 0.000 0.802 490 D N 0.180 120.583 120.400 0.005 0.000 2.389 490 D HA -0.006 4.633 4.640 -0.001 0.000 0.263 490 D C -1.486 174.816 176.300 0.003 0.000 1.255 490 D CA -1.756 52.248 54.000 0.006 0.000 0.914 490 D CB 0.727 41.533 40.800 0.009 0.000 1.116 490 D HN 0.025 nan 8.370 nan 0.000 0.502 491 P HA -0.152 nan 4.420 nan 0.000 0.218 491 P C 1.057 178.356 177.300 -0.001 0.000 1.148 491 P CA 0.931 64.030 63.100 -0.001 0.000 0.822 491 P CB 0.381 32.081 31.700 -0.000 0.000 0.784 492 E N -0.255 119.946 120.200 0.002 0.000 2.051 492 E HA -0.147 4.202 4.350 -0.001 0.000 0.192 492 E C 1.833 178.434 176.600 0.002 0.000 0.991 492 E CA 1.250 57.652 56.400 0.003 0.000 0.799 492 E CB -1.135 28.570 29.700 0.008 0.000 0.748 492 E HN -0.074 nan 8.360 nan 0.000 0.449 493 V N 0.596 120.511 119.914 0.002 0.000 2.407 493 V HA -0.265 3.854 4.120 -0.001 0.000 0.248 493 V C 2.338 178.424 176.094 -0.014 0.000 1.055 493 V CA 2.116 64.415 62.300 -0.003 0.000 1.049 493 V CB -0.563 31.261 31.823 0.002 0.000 0.662 493 V HN 0.315 nan 8.190 nan 0.000 0.455 494 Q N -0.171 119.622 119.800 -0.011 0.000 2.079 494 Q HA -0.121 4.218 4.340 -0.001 0.000 0.200 494 Q C 2.417 178.408 176.000 -0.016 0.000 0.974 494 Q CA 1.755 57.550 55.803 -0.015 0.000 0.840 494 Q CB -0.414 28.318 28.738 -0.010 0.000 0.898 494 Q HN 0.667 nan 8.270 nan 0.000 0.430 495 A N 0.840 123.653 122.820 -0.012 0.000 1.930 495 A HA -0.091 4.229 4.320 -0.001 0.000 0.217 495 A C 2.240 179.814 177.584 -0.016 0.000 1.175 495 A CA 1.480 53.510 52.037 -0.012 0.000 0.627 495 A CB -0.714 18.281 19.000 -0.009 0.000 0.815 495 A HN 0.394 nan 8.150 nan 0.000 0.443 496 A N -0.025 122.786 122.820 -0.016 0.000 1.873 496 A HA 0.185 4.505 4.320 -0.001 0.000 0.215 496 A C 2.512 180.077 177.584 -0.031 0.000 1.186 496 A CA 1.984 54.009 52.037 -0.020 0.000 0.616 496 A CB -1.044 17.948 19.000 -0.014 0.000 0.823 496 A HN 1.034 nan 8.150 nan 0.000 0.442 497 A N -0.102 122.694 122.820 -0.041 0.000 1.908 497 A HA -0.188 4.131 4.320 -0.001 0.000 0.218 497 A C 2.264 179.829 177.584 -0.033 0.000 1.181 497 A CA 1.561 53.566 52.037 -0.053 0.000 0.627 497 A CB -0.482 18.483 19.000 -0.058 0.000 0.818 497 A HN 0.549 nan 8.150 nan 0.000 0.445 498 R N -1.236 119.250 120.500 -0.024 0.000 2.075 498 R HA -0.072 4.267 4.340 -0.001 0.000 0.232 498 R C 2.137 178.433 176.300 -0.007 0.000 1.126 498 R CA 1.308 57.399 56.100 -0.015 0.000 0.963 498 R CB -0.665 29.626 30.300 -0.014 0.000 0.858 498 R HN 0.502 nan 8.270 nan 0.000 0.435 499 L N 1.386 122.601 121.223 -0.012 0.000 2.012 499 L HA -0.154 4.185 4.340 -0.001 0.000 0.210 499 L C 2.057 178.934 176.870 0.010 0.000 1.073 499 L CA 1.666 56.496 54.840 -0.015 0.000 0.748 499 L CB -0.423 41.613 42.059 -0.038 0.000 0.891 499 L HN 0.101 nan 8.230 nan 0.000 0.431 500 L N -0.710 120.523 121.223 0.017 0.000 2.083 500 L HA -0.157 4.182 4.340 -0.001 0.000 0.209 500 L C 2.628 179.562 176.870 0.106 0.000 1.083 500 L CA 1.088 55.981 54.840 0.088 0.000 0.752 500 L CB -0.834 41.260 42.059 0.059 0.000 0.899 500 L HN 0.394 nan 8.230 nan 0.000 0.433 501 A N -0.141 122.699 122.820 0.033 0.000 1.930 501 A HA -0.068 4.252 4.320 -0.001 0.000 0.217 501 A C 2.410 180.006 177.584 0.020 0.000 1.175 501 A CA 1.462 53.503 52.037 0.007 0.000 0.627 501 A CB -0.535 18.456 19.000 -0.015 0.000 0.815 501 A HN 0.375 nan 8.150 nan 0.000 0.443 502 A N -1.936 120.909 122.820 0.042 0.000 2.167 502 A HA 0.121 4.440 4.320 -0.001 0.000 0.214 502 A C 0.738 178.380 177.584 0.097 0.000 1.151 502 A CA 0.065 52.127 52.037 0.042 0.000 0.735 502 A CB -0.450 18.567 19.000 0.028 0.000 0.802 502 A HN 0.671 nan 8.150 nan 0.000 0.467 503 W N 2.651 123.884 121.300 -0.112 0.000 2.253 503 W HA 0.318 4.977 4.660 -0.001 0.000 0.322 503 W C 0.151 176.570 176.519 -0.167 0.000 1.342 503 W CA -0.565 56.693 57.345 -0.145 0.000 1.218 503 W CB 0.590 29.945 29.460 -0.175 0.000 1.205 503 W HN 0.405 nan 8.180 nan 0.000 0.551 504 D N 3.948 124.210 120.400 -0.231 0.000 2.371 504 D HA -0.129 4.511 4.640 -0.001 0.000 0.234 504 D C 0.565 176.345 176.300 -0.867 0.000 1.049 504 D CA 0.241 53.993 54.000 -0.412 0.000 0.907 504 D CB -0.301 40.372 40.800 -0.211 0.000 0.891 504 D HN 0.632 nan 8.370 nan 0.000 0.531 505 R N -0.696 118.643 120.500 -1.935 0.000 3.525 505 R HA -0.132 4.207 4.340 -0.001 0.000 0.276 505 R C -0.811 174.571 176.300 -1.530 0.000 1.116 505 R CA 0.754 55.396 56.100 -2.430 0.000 0.745 505 R CB -1.929 27.580 30.300 -1.318 0.000 1.185 505 R HN 0.329 nan 8.270 nan 0.000 0.454 506 E N 0.168 119.736 120.200 -1.053 0.000 2.222 506 E HA 0.221 4.571 4.350 -0.001 0.000 0.267 506 E C -0.319 176.065 176.600 -0.359 0.000 0.884 506 E CA -0.793 55.307 56.400 -0.499 0.000 0.764 506 E CB 0.768 30.353 29.700 -0.191 0.000 1.169 506 E HN 0.096 nan 8.360 nan 0.000 0.413 507 F N 1.968 121.686 119.950 -0.388 0.000 2.659 507 F HA 0.042 4.568 4.527 -0.001 0.000 0.360 507 F C 1.268 176.605 175.800 -0.773 0.000 1.218 507 F CA -0.335 57.284 58.000 -0.634 0.000 1.317 507 F CB 0.024 38.729 39.000 -0.493 0.000 1.697 507 F HN 0.148 nan 8.300 nan 0.000 0.637 508 T N -3.499 110.844 114.554 -0.353 0.000 2.902 508 T HA 0.193 4.542 4.350 -0.001 0.000 0.280 508 T C 1.353 176.068 174.700 0.026 0.000 0.992 508 T CA -0.766 61.243 62.100 -0.151 0.000 1.015 508 T CB 1.722 70.565 68.868 -0.041 0.000 1.044 508 T HN 0.202 nan 8.240 nan 0.000 0.520 509 S N 0.966 116.723 115.700 0.096 0.000 2.368 509 S HA -0.119 4.351 4.470 -0.001 0.000 0.225 509 S C 1.534 176.176 174.600 0.071 0.000 1.030 509 S CA 1.612 59.880 58.200 0.115 0.000 0.999 509 S CB -0.630 62.605 63.200 0.057 0.000 0.844 509 S HN 1.001 nan 8.310 nan 0.000 0.459 510 D N 0.795 121.219 120.400 0.040 0.000 2.349 510 D HA 0.096 4.736 4.640 -0.001 0.000 0.224 510 D C 0.493 176.793 176.300 -0.001 0.000 1.029 510 D CA 0.000 54.010 54.000 0.015 0.000 0.879 510 D CB -0.178 40.630 40.800 0.014 0.000 0.906 510 D HN 0.124 nan 8.370 nan 0.000 0.528 511 S N 0.180 115.879 115.700 -0.003 0.000 2.488 511 S HA 0.117 4.587 4.470 -0.001 0.000 0.278 511 S C 0.926 175.439 174.600 -0.145 0.000 1.259 511 S CA -0.619 57.526 58.200 -0.091 0.000 1.061 511 S CB 0.390 63.492 63.200 -0.163 0.000 0.910 511 S HN 0.248 nan 8.310 nan 0.000 0.491 512 R N 3.522 123.913 120.500 -0.182 0.000 2.334 512 R HA 0.221 4.560 4.340 -0.001 0.000 0.216 512 R C 1.498 177.641 176.300 -0.261 0.000 0.905 512 R CA 0.590 56.588 56.100 -0.170 0.000 1.064 512 R CB 0.126 30.363 30.300 -0.106 0.000 1.046 512 R HN 0.622 nan 8.270 nan 0.000 0.508 513 A N 0.667 123.191 122.820 -0.493 0.000 2.167 513 A HA 0.334 4.654 4.320 -0.001 0.000 0.208 513 A C 2.109 179.180 177.584 -0.855 0.000 1.198 513 A CA 0.515 52.182 52.037 -0.618 0.000 0.863 513 A CB 0.134 18.753 19.000 -0.635 0.000 0.904 513 A HN 0.229 nan 8.150 nan 0.000 0.484 514 A N 0.699 122.882 122.820 -1.062 0.000 1.883 514 A HA -0.117 4.202 4.320 -0.001 0.000 0.217 514 A C 2.076 179.645 177.584 -0.027 0.000 1.186 514 A CA 1.633 53.253 52.037 -0.694 0.000 0.624 514 A CB -0.721 18.028 19.000 -0.419 0.000 0.822 514 A HN 0.465 nan 8.150 nan 0.000 0.444 515 L N -1.215 120.000 121.223 -0.014 0.000 1.989 515 L HA -0.218 4.122 4.340 -0.001 0.000 0.211 515 L C 2.601 179.500 176.870 0.049 0.000 1.071 515 L CA 1.532 56.334 54.840 -0.064 0.000 0.749 515 L CB -0.701 41.072 42.059 -0.477 0.000 0.890 515 L HN 0.491 nan 8.230 nan 0.000 0.431 516 L N -0.480 120.747 121.223 0.007 0.000 2.043 516 L HA -0.276 4.064 4.340 -0.001 0.000 0.212 516 L C 2.385 179.355 176.870 0.168 0.000 1.075 516 L CA 1.777 56.666 54.840 0.081 0.000 0.752 516 L CB -0.707 41.365 42.059 0.023 0.000 0.891 516 L HN 0.116 nan 8.230 nan 0.000 0.432 517 F N 0.649 120.625 119.950 0.043 0.000 2.102 517 F HA -0.209 4.318 4.527 -0.001 0.000 0.298 517 F C 2.314 178.332 175.800 0.364 0.000 1.105 517 F CA 2.051 60.175 58.000 0.207 0.000 1.239 517 F CB -0.323 38.791 39.000 0.191 0.000 0.991 517 F HN 0.259 nan 8.300 nan 0.000 0.474 518 E N -0.178 120.195 120.200 0.290 0.000 2.058 518 E HA -0.239 4.111 4.350 -0.001 0.000 0.194 518 E C 2.089 178.848 176.600 0.266 0.000 0.997 518 E CA 1.436 57.995 56.400 0.265 0.000 0.801 518 E CB -0.298 29.634 29.700 0.387 0.000 0.746 518 E HN 0.406 nan 8.360 nan 0.000 0.450 519 E N 0.182 120.523 120.200 0.235 0.000 2.085 519 E HA -0.205 4.145 4.350 -0.001 0.000 0.194 519 E C 1.633 178.315 176.600 0.138 0.000 0.994 519 E CA 0.900 57.413 56.400 0.188 0.000 0.801 519 E CB -0.408 29.407 29.700 0.192 0.000 0.743 519 E HN 0.445 nan 8.360 nan 0.000 0.453 520 W N 1.448 122.718 121.300 -0.051 0.000 2.388 520 W HA -0.055 4.604 4.660 -0.001 0.000 0.294 520 W C 2.316 178.792 176.519 -0.072 0.000 1.212 520 W CA 2.064 59.357 57.345 -0.087 0.000 1.271 520 W CB -0.293 29.069 29.460 -0.163 0.000 1.126 520 W HN 0.040 nan 8.180 nan 0.000 0.535 521 A N 0.886 123.622 122.820 -0.139 0.000 1.902 521 A HA -0.175 4.144 4.320 -0.001 0.000 0.217 521 A C 2.008 179.613 177.584 0.035 0.000 1.181 521 A CA 1.739 53.704 52.037 -0.120 0.000 0.623 521 A CB -0.775 18.240 19.000 0.024 0.000 0.818 521 A HN 0.385 nan 8.150 nan 0.000 0.443 522 R N -0.544 120.005 120.500 0.082 0.000 2.117 522 R HA -0.129 4.210 4.340 -0.001 0.000 0.243 522 R C 1.950 178.099 176.300 -0.251 0.000 1.143 522 R CA 1.681 57.642 56.100 -0.231 0.000 0.968 522 R CB -0.503 29.677 30.300 -0.201 0.000 0.863 522 R HN 0.548 nan 8.270 nan 0.000 0.444 523 L N -1.254 119.824 121.223 -0.242 0.000 2.102 523 L HA -0.062 4.277 4.340 -0.001 0.000 0.202 523 L C 2.254 178.926 176.870 -0.330 0.000 1.076 523 L CA 0.635 55.322 54.840 -0.255 0.000 0.761 523 L CB -0.480 41.450 42.059 -0.215 0.000 0.921 523 L HN 0.072 nan 8.230 nan 0.000 0.444 524 F N 1.399 120.920 119.950 -0.714 0.000 2.095 524 F HA -0.166 4.360 4.527 -0.001 0.000 0.298 524 F C 1.975 177.499 175.800 -0.459 0.000 1.104 524 F CA 1.474 58.998 58.000 -0.792 0.000 1.232 524 F CB -0.038 38.008 39.000 -1.590 0.000 0.987 524 F HN -0.025 nan 8.300 nan 0.000 0.475 525 A N -0.297 122.288 122.820 -0.392 0.000 2.564 525 A HA 0.591 4.911 4.320 -0.001 0.000 0.279 525 A C 0.795 178.271 177.584 -0.179 0.000 1.232 525 A CA 0.355 52.232 52.037 -0.267 0.000 0.950 525 A CB -0.961 18.075 19.000 0.060 0.000 1.138 525 A HN 0.976 nan 8.150 nan 0.000 0.526 526 G N -0.807 107.845 108.800 -0.247 0.000 2.781 526 G HA2 -0.163 3.796 3.960 -0.001 0.000 0.683 526 G HA3 -0.163 3.796 3.960 -0.001 0.000 0.683 526 G C 0.286 174.943 174.900 -0.406 0.000 1.390 526 G CA -0.097 44.849 45.100 -0.256 0.000 0.850 526 G HN 0.111 nan 8.290 nan 0.000 0.557 527 Q N 0.421 119.987 119.800 -0.389 0.000 2.181 527 Q HA -0.121 4.218 4.340 -0.001 0.000 0.205 527 Q C 2.285 177.828 176.000 -0.762 0.000 0.980 527 Q CA 2.077 57.560 55.803 -0.533 0.000 0.862 527 Q CB -0.280 28.265 28.738 -0.320 0.000 0.905 527 Q HN 0.858 nan 8.270 nan 0.000 0.429 528 N N -0.573 117.840 118.700 -0.477 0.000 2.336 528 N HA -0.077 4.662 4.740 -0.001 0.000 0.189 528 N C -0.101 175.336 175.510 -0.121 0.000 1.113 528 N CA -0.086 52.785 53.050 -0.299 0.000 0.858 528 N CB -0.517 37.904 38.487 -0.110 0.000 0.970 528 N HN 0.157 nan 8.380 nan 0.000 0.471 529 F N -1.360 118.556 119.950 -0.056 0.000 3.084 529 F HA -0.302 4.224 4.527 -0.001 0.000 0.286 529 F C 1.176 177.018 175.800 0.070 0.000 0.855 529 F CA 0.471 58.475 58.000 0.008 0.000 1.091 529 F CB -1.803 37.227 39.000 0.051 0.000 1.177 529 F HN 0.334 nan 8.300 nan 0.000 0.542 530 A N -0.019 122.886 122.820 0.141 0.000 2.390 530 A HA 0.564 4.883 4.320 -0.001 0.000 0.232 530 A C 1.522 179.164 177.584 0.096 0.000 1.233 530 A CA 0.439 52.553 52.037 0.128 0.000 0.907 530 A CB -0.337 18.709 19.000 0.078 0.000 0.967 530 A HN 0.493 nan 8.150 nan 0.000 0.512 531 G N -0.979 107.849 108.800 0.047 0.000 2.554 531 G HA2 0.370 4.330 3.960 -0.001 0.000 0.238 531 G HA3 0.370 4.330 3.960 -0.001 0.000 0.238 531 G C 0.385 175.348 174.900 0.104 0.000 1.259 531 G CA -0.108 44.992 45.100 0.001 0.000 0.843 531 G HN 0.207 nan 8.290 nan 0.000 0.582 532 Q N 0.887 120.748 119.800 0.101 0.000 2.322 532 Q HA 0.137 4.477 4.340 -0.001 0.000 0.250 532 Q C 2.524 178.633 176.000 0.181 0.000 0.853 532 Q CA 0.549 56.501 55.803 0.247 0.000 0.951 532 Q CB 0.236 29.080 28.738 0.176 0.000 1.114 532 Q HN 0.640 nan 8.270 nan 0.000 0.523 533 A N 1.133 123.963 122.820 0.017 0.000 2.032 533 A HA -0.114 4.206 4.320 -0.001 0.000 0.221 533 A C 2.096 179.625 177.584 -0.092 0.000 1.165 533 A CA 1.909 53.932 52.037 -0.023 0.000 0.645 533 A CB -0.833 18.130 19.000 -0.062 0.000 0.807 533 A HN 0.393 nan 8.150 nan 0.000 0.453 534 G N -1.502 107.090 108.800 -0.347 0.000 2.464 534 G HA2 0.208 4.167 3.960 -0.001 0.000 0.217 534 G HA3 0.208 4.167 3.960 -0.001 0.000 0.217 534 G C 0.458 175.275 174.900 -0.137 0.000 1.138 534 G CA -0.110 44.643 45.100 -0.579 0.000 0.793 534 G HN 0.358 nan 8.290 nan 0.000 0.539 535 F N -0.002 120.005 119.950 0.095 0.000 2.444 535 F HA 0.462 4.988 4.527 -0.001 0.000 0.331 535 F C 1.596 177.507 175.800 0.185 0.000 1.167 535 F CA -0.083 58.072 58.000 0.260 0.000 1.262 535 F CB 1.294 40.432 39.000 0.230 0.000 1.196 535 F HN 0.052 nan 8.300 nan 0.000 0.583 536 A N 0.776 123.821 122.820 0.376 0.000 1.898 536 A HA 0.057 4.377 4.320 -0.001 0.000 0.214 536 A C 0.874 178.614 177.584 0.259 0.000 1.183 536 A CA 0.935 53.129 52.037 0.262 0.000 0.622 536 A CB -0.486 18.650 19.000 0.226 0.000 0.824 536 A HN 0.624 nan 8.150 nan 0.000 0.444 537 T N 2.658 117.400 114.554 0.314 0.000 2.772 537 T HA 0.478 4.828 4.350 -0.001 0.000 0.288 537 T C -2.756 172.071 174.700 0.212 0.000 0.994 537 T CA -1.239 61.004 62.100 0.240 0.000 0.951 537 T CB 1.923 70.940 68.868 0.248 0.000 0.933 537 T HN 0.217 nan 8.240 nan 0.000 0.447 538 P HA 0.096 nan 4.420 nan 0.000 0.272 538 P C -0.393 176.979 177.300 0.120 0.000 1.240 538 P CA -0.695 62.496 63.100 0.151 0.000 0.791 538 P CB 0.928 32.715 31.700 0.144 0.000 0.978 539 W N 1.650 122.935 121.300 -0.025 0.000 2.181 539 W HA 0.286 4.945 4.660 -0.001 0.000 0.335 539 W C -0.046 176.464 176.519 -0.015 0.000 1.310 539 W CA 1.122 58.444 57.345 -0.039 0.000 1.226 539 W CB 0.406 29.841 29.460 -0.041 0.000 1.155 539 W HN 0.281 nan 8.180 nan 0.000 0.565 540 S N 5.773 120.857 115.700 -1.026 0.000 2.575 540 S HA 0.196 4.666 4.470 -0.001 0.000 0.278 540 S C 0.004 173.753 174.600 -1.419 0.000 1.139 540 S CA -0.852 56.812 58.200 -0.893 0.000 0.954 540 S CB 1.062 64.010 63.200 -0.421 0.000 1.054 540 S HN 0.610 nan 8.310 nan 0.000 0.483 541 L N 3.712 124.251 121.223 -1.139 0.000 2.353 541 L HA 0.125 4.464 4.340 -0.001 0.000 0.220 541 L C 1.279 177.939 176.870 -0.350 0.000 1.133 541 L CA 1.920 56.312 54.840 -0.745 0.000 0.798 541 L CB -0.420 41.503 42.059 -0.226 0.000 0.922 541 L HN 0.708 nan 8.230 nan 0.000 0.445 542 D N -0.149 120.061 120.400 -0.315 0.000 2.317 542 D HA -0.029 4.611 4.640 -0.001 0.000 0.211 542 D C 0.683 176.914 176.300 -0.115 0.000 0.966 542 D CA 0.837 54.748 54.000 -0.148 0.000 0.876 542 D CB 0.177 40.901 40.800 -0.126 0.000 0.927 542 D HN 0.353 nan 8.370 nan 0.000 0.519 543 K N 0.411 120.664 120.400 -0.244 0.000 3.301 543 K HA 0.127 4.447 4.320 -0.001 0.000 0.170 543 K C -2.050 174.378 176.600 -0.287 0.000 1.061 543 K CA -0.874 55.304 56.287 -0.181 0.000 0.807 543 K CB 2.309 34.711 32.500 -0.163 0.000 0.889 543 K HN -0.107 nan 8.250 nan 0.000 0.564 544 P HA -0.184 nan 4.420 nan 0.000 0.218 544 P C 0.958 178.341 177.300 0.140 0.000 1.146 544 P CA 1.382 64.426 63.100 -0.093 0.000 0.820 544 P CB 0.114 31.854 31.700 0.065 0.000 0.778 545 V N -3.828 116.064 119.914 -0.036 0.000 3.276 545 V HA 0.323 4.443 4.120 -0.001 0.000 0.319 545 V C 1.271 177.371 176.094 0.009 0.000 1.427 545 V CA 0.643 62.943 62.300 -0.001 0.000 1.102 545 V CB -0.519 31.215 31.823 -0.149 0.000 1.020 545 V HN 0.183 nan 8.190 nan 0.000 0.456 546 S N -0.452 115.247 115.700 -0.001 0.000 2.780 546 S HA 0.333 4.803 4.470 -0.001 0.000 0.248 546 S C 0.626 175.255 174.600 0.048 0.000 1.036 546 S CA 0.406 58.611 58.200 0.009 0.000 1.061 546 S CB 0.233 63.406 63.200 -0.045 0.000 1.037 546 S HN 0.873 nan 8.310 nan 0.000 0.584 547 T N -0.015 114.573 114.554 0.057 0.000 2.906 547 T HA 0.696 5.045 4.350 -0.001 0.000 0.295 547 T C -3.443 171.396 174.700 0.232 0.000 1.075 547 T CA -2.140 60.004 62.100 0.073 0.000 1.005 547 T CB 2.123 70.941 68.868 -0.083 0.000 1.136 547 T HN -0.061 nan 8.240 nan 0.000 0.498 548 P HA 0.325 nan 4.420 nan 0.000 0.275 548 P C -1.452 175.809 177.300 -0.065 0.000 1.266 548 P CA -0.225 62.770 63.100 -0.173 0.000 0.793 548 P CB 0.502 31.811 31.700 -0.653 0.000 1.074 549 Y N -1.395 118.952 120.300 0.079 0.000 2.656 549 Y HA 0.468 5.018 4.550 -0.001 0.000 0.334 549 Y C -0.184 176.004 175.900 0.480 0.000 1.179 549 Y CA 0.640 58.930 58.100 0.317 0.000 1.050 549 Y CB 1.357 39.915 38.460 0.163 0.000 1.308 549 Y HN 0.982 nan 8.280 nan 0.000 0.456 550 G N 1.023 109.314 108.800 -0.848 0.000 2.819 550 G HA2 -0.026 3.934 3.960 -0.001 0.000 0.682 550 G HA3 -0.026 3.934 3.960 -0.001 0.000 0.682 550 G C -2.004 172.912 174.900 0.027 0.000 1.481 550 G CA -0.519 44.323 45.100 -0.429 0.000 0.904 550 G HN 1.146 nan 8.290 nan 0.000 0.563 551 V N 2.270 122.194 119.914 0.016 0.000 2.347 551 V HA 0.430 4.549 4.120 -0.001 0.000 0.280 551 V C 1.684 177.873 176.094 0.158 0.000 1.021 551 V CA 0.320 62.689 62.300 0.115 0.000 0.847 551 V CB 1.259 33.098 31.823 0.027 0.000 0.990 551 V HN 0.978 nan 8.190 nan 0.000 0.444 552 R N 2.841 123.464 120.500 0.205 0.000 2.073 552 R HA -0.077 4.263 4.340 -0.001 0.000 0.234 552 R C 0.518 176.895 176.300 0.127 0.000 1.134 552 R CA 1.515 57.709 56.100 0.158 0.000 0.952 552 R CB 0.282 30.668 30.300 0.144 0.000 0.850 552 R HN 0.744 nan 8.270 nan 0.000 0.433 553 D N -0.589 119.896 120.400 0.141 0.000 2.432 553 D HA 0.193 4.833 4.640 -0.001 0.000 0.265 553 D C -2.096 174.280 176.300 0.126 0.000 1.160 553 D CA -2.236 51.832 54.000 0.113 0.000 0.911 553 D CB 1.703 42.560 40.800 0.096 0.000 1.052 553 D HN -0.016 nan 8.370 nan 0.000 0.508 554 P HA -0.157 nan 4.420 nan 0.000 0.216 554 P C 1.519 178.869 177.300 0.084 0.000 1.153 554 P CA 0.798 63.948 63.100 0.083 0.000 0.858 554 P CB 0.517 32.247 31.700 0.050 0.000 0.789 555 K N -0.269 120.174 120.400 0.072 0.000 2.020 555 K HA -0.121 4.198 4.320 -0.001 0.000 0.212 555 K C 2.071 178.721 176.600 0.083 0.000 1.050 555 K CA 1.996 58.322 56.287 0.064 0.000 0.929 555 K CB -1.217 31.314 32.500 0.052 0.000 0.714 555 K HN 0.034 nan 8.250 nan 0.000 0.443 556 A N 0.905 123.781 122.820 0.093 0.000 1.933 556 A HA -0.102 4.218 4.320 -0.001 0.000 0.218 556 A C 2.354 180.032 177.584 0.158 0.000 1.175 556 A CA 2.199 54.296 52.037 0.101 0.000 0.628 556 A CB -0.603 18.447 19.000 0.084 0.000 0.814 556 A HN 0.353 nan 8.150 nan 0.000 0.444 557 A N -0.636 122.316 122.820 0.220 0.000 1.933 557 A HA 0.003 4.323 4.320 -0.001 0.000 0.218 557 A C 2.152 179.970 177.584 0.389 0.000 1.175 557 A CA 1.770 54.040 52.037 0.387 0.000 0.628 557 A CB -0.754 18.488 19.000 0.403 0.000 0.814 557 A HN 0.404 nan 8.150 nan 0.000 0.444 558 V N 0.262 120.291 119.914 0.192 0.000 2.667 558 V HA -0.163 3.957 4.120 -0.001 0.000 0.252 558 V C 1.951 178.122 176.094 0.129 0.000 1.065 558 V CA 1.982 64.353 62.300 0.119 0.000 1.083 558 V CB -0.633 31.221 31.823 0.052 0.000 0.692 558 V HN 0.459 nan 8.190 nan 0.000 0.468 559 D N -0.150 120.325 120.400 0.125 0.000 2.149 559 D HA -0.139 4.501 4.640 -0.001 0.000 0.201 559 D C 2.347 178.720 176.300 0.121 0.000 0.972 559 D CA 1.047 55.105 54.000 0.097 0.000 0.835 559 D CB -0.115 40.728 40.800 0.072 0.000 0.966 559 D HN 0.496 nan 8.370 nan 0.000 0.476 560 Q N -0.144 119.758 119.800 0.170 0.000 2.124 560 Q HA -0.112 4.228 4.340 -0.001 0.000 0.202 560 Q C 2.134 178.310 176.000 0.293 0.000 0.977 560 Q CA 0.520 56.418 55.803 0.158 0.000 0.850 560 Q CB -0.037 28.745 28.738 0.073 0.000 0.901 560 Q HN 0.182 nan 8.270 nan 0.000 0.429 561 L N 0.903 122.382 121.223 0.428 0.000 2.093 561 L HA -0.147 4.193 4.340 -0.001 0.000 0.208 561 L C 2.317 179.292 176.870 0.175 0.000 1.085 561 L CA 1.658 56.713 54.840 0.360 0.000 0.755 561 L CB -0.365 41.752 42.059 0.096 0.000 0.904 561 L HN 0.035 nan 8.230 nan 0.000 0.435 562 R N -1.200 119.375 120.500 0.125 0.000 2.083 562 R HA -0.161 4.179 4.340 -0.001 0.000 0.237 562 R C 2.010 178.355 176.300 0.074 0.000 1.137 562 R CA 2.115 58.262 56.100 0.077 0.000 0.951 562 R CB -0.415 29.921 30.300 0.060 0.000 0.851 562 R HN 0.419 nan 8.270 nan 0.000 0.434 563 T N 0.563 115.164 114.554 0.079 0.000 2.777 563 T HA -0.093 4.256 4.350 -0.001 0.000 0.266 563 T C 1.815 176.556 174.700 0.068 0.000 1.040 563 T CA 1.268 63.401 62.100 0.056 0.000 1.141 563 T CB -0.285 68.607 68.868 0.039 0.000 0.868 563 T HN 0.436 nan 8.240 nan 0.000 0.444 564 A N 1.361 124.247 122.820 0.109 0.000 1.908 564 A HA -0.053 4.266 4.320 -0.001 0.000 0.218 564 A C 2.285 179.936 177.584 0.113 0.000 1.181 564 A CA 1.273 53.388 52.037 0.129 0.000 0.627 564 A CB -0.870 18.267 19.000 0.228 0.000 0.818 564 A HN 0.533 nan 8.150 nan 0.000 0.445 565 I N -0.347 120.283 120.570 0.099 0.000 2.264 565 I HA -0.319 3.851 4.170 -0.001 0.000 0.248 565 I C 2.920 179.073 176.117 0.061 0.000 1.111 565 I CA 1.081 62.425 61.300 0.074 0.000 1.382 565 I CB -0.333 37.700 38.000 0.054 0.000 1.060 565 I HN 0.395 nan 8.210 nan 0.000 0.418 566 A N 1.016 123.867 122.820 0.051 0.000 1.872 566 A HA -0.171 4.149 4.320 -0.001 0.000 0.214 566 A C 2.049 179.651 177.584 0.030 0.000 1.187 566 A CA 1.628 53.685 52.037 0.034 0.000 0.614 566 A CB -0.562 18.452 19.000 0.024 0.000 0.826 566 A HN 0.388 nan 8.150 nan 0.000 0.442 567 N N -0.015 118.709 118.700 0.039 0.000 2.166 567 N HA -0.099 4.640 4.740 -0.001 0.000 0.186 567 N C 1.677 177.216 175.510 0.049 0.000 1.019 567 N CA 1.868 54.935 53.050 0.028 0.000 0.856 567 N CB -0.881 37.627 38.487 0.035 0.000 0.993 567 N HN 0.480 nan 8.380 nan 0.000 0.426 568 T N 1.436 116.058 114.554 0.113 0.000 2.746 568 T HA -0.046 4.303 4.350 -0.001 0.000 0.267 568 T C 1.851 176.654 174.700 0.172 0.000 1.039 568 T CA 1.067 63.299 62.100 0.219 0.000 1.142 568 T CB 0.026 69.011 68.868 0.195 0.000 0.866 568 T HN 0.295 nan 8.240 nan 0.000 0.444 569 K N 0.606 121.057 120.400 0.086 0.000 2.103 569 K HA 0.030 4.349 4.320 -0.001 0.000 0.204 569 K C 2.543 179.142 176.600 -0.001 0.000 1.052 569 K CA 0.680 56.997 56.287 0.051 0.000 0.945 569 K CB -0.108 32.412 32.500 0.033 0.000 0.722 569 K HN 0.152 nan 8.250 nan 0.000 0.443 570 R N 1.610 122.095 120.500 -0.025 0.000 2.120 570 R HA -0.120 4.219 4.340 -0.001 0.000 0.234 570 R C 1.597 177.815 176.300 -0.137 0.000 1.123 570 R CA 1.492 57.555 56.100 -0.062 0.000 0.975 570 R CB 0.182 30.450 30.300 -0.053 0.000 0.866 570 R HN 0.081 nan 8.270 nan 0.000 0.446 571 K N -1.309 118.949 120.400 -0.236 0.000 2.128 571 K HA -0.040 4.280 4.320 -0.001 0.000 0.202 571 K C 0.940 177.114 176.600 -0.710 0.000 1.050 571 K CA 1.007 56.962 56.287 -0.553 0.000 0.966 571 K CB 0.290 32.264 32.500 -0.876 0.000 0.759 571 K HN 0.253 nan 8.250 nan 0.000 0.454 572 Y N -0.713 119.570 120.300 -0.027 0.000 2.500 572 Y HA 0.259 4.808 4.550 -0.001 0.000 0.246 572 Y C 1.185 177.063 175.900 -0.036 0.000 1.146 572 Y CA -0.056 58.018 58.100 -0.042 0.000 1.230 572 Y CB 1.289 39.716 38.460 -0.055 0.000 1.214 572 Y HN 0.204 nan 8.280 nan 0.000 0.526 573 G N 0.678 109.511 108.800 0.055 0.000 2.189 573 G HA2 -0.077 3.883 3.960 -0.001 0.000 0.267 573 G HA3 -0.077 3.883 3.960 -0.001 0.000 0.267 573 G C 0.156 175.082 174.900 0.043 0.000 0.975 573 G CA 0.268 45.388 45.100 0.034 0.000 0.644 573 G HN 0.897 nan 8.290 nan 0.000 0.537 574 A N -1.404 121.459 122.820 0.072 0.000 2.567 574 A HA 0.686 5.005 4.320 -0.001 0.000 0.291 574 A C 0.579 178.199 177.584 0.060 0.000 1.048 574 A CA -0.011 52.054 52.037 0.047 0.000 0.661 574 A CB -0.084 18.930 19.000 0.024 0.000 1.288 574 A HN 1.394 nan 8.150 nan 0.000 0.424 575 I N -2.017 118.571 120.570 0.030 0.000 3.728 575 I HA 0.278 4.447 4.170 -0.001 0.000 0.307 575 I C 0.320 176.423 176.117 -0.024 0.000 1.276 575 I CA 0.826 62.139 61.300 0.022 0.000 1.285 575 I CB 0.164 38.174 38.000 0.017 0.000 1.038 575 I HN 0.460 nan 8.210 nan 0.000 0.445 576 D N 1.628 122.008 120.400 -0.033 0.000 2.895 576 D HA 0.110 4.750 4.640 -0.001 0.000 0.350 576 D C 0.176 176.434 176.300 -0.070 0.000 1.389 576 D CA -0.392 53.570 54.000 -0.064 0.000 0.812 576 D CB -0.002 40.767 40.800 -0.051 0.000 1.164 576 D HN 0.309 nan 8.370 nan 0.000 0.455 577 R N 1.229 121.682 120.500 -0.079 0.000 2.438 577 R HA 0.334 4.674 4.340 -0.001 0.000 0.287 577 R C -2.451 173.775 176.300 -0.123 0.000 1.077 577 R CA -1.238 54.810 56.100 -0.085 0.000 1.034 577 R CB 0.543 30.800 30.300 -0.071 0.000 0.993 577 R HN -0.143 nan 8.270 nan 0.000 0.459 578 P HA -0.087 nan 4.420 nan 0.000 0.262 578 P C -0.167 177.064 177.300 -0.115 0.000 1.182 578 P CA 0.226 63.278 63.100 -0.080 0.000 0.761 578 P CB 0.229 31.893 31.700 -0.060 0.000 0.795 579 F N 4.370 124.168 119.950 -0.254 0.000 2.063 579 F HA -0.194 4.333 4.527 -0.001 0.000 0.298 579 F C 2.161 177.744 175.800 -0.362 0.000 1.109 579 F CA 2.637 60.439 58.000 -0.330 0.000 1.212 579 F CB -0.891 37.960 39.000 -0.249 0.000 0.973 579 F HN 0.390 nan 8.300 nan 0.000 0.480 580 G N -1.003 107.723 108.800 -0.124 0.000 2.776 580 G HA2 -0.198 3.761 3.960 -0.001 0.000 0.209 580 G HA3 -0.198 3.761 3.960 -0.001 0.000 0.209 580 G C 1.358 176.121 174.900 -0.229 0.000 1.145 580 G CA 0.739 45.708 45.100 -0.218 0.000 0.791 580 G HN 0.492 nan 8.290 nan 0.000 0.530 581 D N 0.422 120.694 120.400 -0.215 0.000 2.216 581 D HA 0.102 4.742 4.640 -0.001 0.000 0.208 581 D C 2.458 178.643 176.300 -0.192 0.000 0.960 581 D CA 0.845 54.751 54.000 -0.157 0.000 0.861 581 D CB 0.243 40.978 40.800 -0.108 0.000 0.985 581 D HN 0.231 nan 8.370 nan 0.000 0.493 582 A N 0.242 122.882 122.820 -0.300 0.000 1.911 582 A HA 0.128 4.448 4.320 -0.001 0.000 0.212 582 A C 1.307 178.639 177.584 -0.420 0.000 1.189 582 A CA 0.219 52.095 52.037 -0.268 0.000 0.639 582 A CB -0.039 18.784 19.000 -0.294 0.000 0.839 582 A HN 0.136 nan 8.150 nan 0.000 0.449 583 S N 2.149 117.358 115.700 -0.819 0.000 2.405 583 S HA 0.470 4.939 4.470 -0.001 0.000 0.291 583 S C -0.173 174.025 174.600 -0.670 0.000 1.137 583 S CA -0.391 57.050 58.200 -1.265 0.000 1.061 583 S CB 0.106 61.783 63.200 -2.538 0.000 1.001 583 S HN 0.377 nan 8.310 nan 0.000 0.507 584 R N 2.201 122.572 120.500 -0.215 0.000 2.854 584 R HA 0.517 4.856 4.340 -0.001 0.000 0.271 584 R C -0.719 175.707 176.300 0.210 0.000 0.994 584 R CA -0.713 55.391 56.100 0.005 0.000 0.945 584 R CB 1.226 31.521 30.300 -0.008 0.000 1.194 584 R HN 0.526 nan 8.270 nan 0.000 0.476 585 M N 3.058 122.756 119.600 0.164 0.000 2.023 585 M HA 0.472 4.952 4.480 -0.001 0.000 0.325 585 M C -0.628 175.771 176.300 0.164 0.000 0.963 585 M CA -0.261 55.164 55.300 0.209 0.000 0.928 585 M CB 0.972 33.696 32.600 0.207 0.000 1.429 585 M HN 0.329 nan 8.290 nan 0.000 0.404 586 I N 4.953 125.630 120.570 0.179 0.000 2.389 586 I HA 0.512 4.682 4.170 -0.001 0.000 0.288 586 I C -0.921 175.296 176.117 0.166 0.000 0.999 586 I CA -0.477 60.907 61.300 0.141 0.000 1.129 586 I CB 1.474 39.544 38.000 0.117 0.000 1.288 586 I HN 0.585 nan 8.210 nan 0.000 0.444 587 L N 6.908 128.206 121.223 0.125 0.000 2.406 587 L HA 0.525 4.864 4.340 -0.001 0.000 0.272 587 L C 0.100 177.074 176.870 0.173 0.000 0.980 587 L CA -0.591 54.331 54.840 0.136 0.000 0.831 587 L CB 1.538 43.519 42.059 -0.130 0.000 1.253 587 L HN 0.691 nan 8.230 nan 0.000 0.406 588 N N 2.156 121.010 118.700 0.256 0.000 1.222 588 N HA -0.277 4.463 4.740 -0.001 0.000 0.134 588 N C 0.436 176.013 175.510 0.110 0.000 0.787 588 N CA 2.042 55.199 53.050 0.179 0.000 0.929 588 N CB -0.558 38.042 38.487 0.188 0.000 1.170 588 N HN 0.971 nan 8.380 nan 0.000 0.541 589 D N 1.207 121.657 120.400 0.083 0.000 2.340 589 D HA 0.180 4.820 4.640 -0.001 0.000 0.217 589 D C 0.151 176.483 176.300 0.053 0.000 1.081 589 D CA 0.142 54.177 54.000 0.058 0.000 0.842 589 D CB -0.257 40.568 40.800 0.042 0.000 0.934 589 D HN 0.244 nan 8.370 nan 0.000 0.511 590 V N 1.671 121.622 119.914 0.061 0.000 2.406 590 V HA 0.248 4.367 4.120 -0.001 0.000 0.272 590 V C 0.031 176.159 176.094 0.056 0.000 1.043 590 V CA -0.755 61.576 62.300 0.051 0.000 0.915 590 V CB 0.913 32.763 31.823 0.045 0.000 0.988 590 V HN 0.161 nan 8.190 nan 0.000 0.466 591 N N 4.728 123.455 118.700 0.046 0.000 2.531 591 N HA 0.485 5.224 4.740 -0.001 0.000 0.268 591 N C -0.962 174.568 175.510 0.033 0.000 1.023 591 N CA -0.203 52.874 53.050 0.045 0.000 0.896 591 N CB 2.002 40.510 38.487 0.036 0.000 1.233 591 N HN 0.553 nan 8.380 nan 0.000 0.512 592 V N 1.579 121.516 119.914 0.038 0.000 2.960 592 V HA 0.805 4.924 4.120 -0.001 0.000 0.315 592 V C -2.540 173.561 176.094 0.011 0.000 1.087 592 V CA -2.290 60.024 62.300 0.024 0.000 0.982 592 V CB 1.938 33.777 31.823 0.027 0.000 1.039 592 V HN 0.402 nan 8.190 nan 0.000 0.437 593 P HA 0.281 nan 4.420 nan 0.000 0.271 593 P C 0.131 177.416 177.300 -0.025 0.000 1.216 593 P CA 0.609 63.689 63.100 -0.033 0.000 0.771 593 P CB 1.072 32.759 31.700 -0.021 0.000 0.864 594 G N 1.454 110.212 108.800 -0.071 0.000 2.502 594 G HA2 0.652 4.611 3.960 -0.001 0.000 0.305 594 G HA3 0.652 4.611 3.960 -0.001 0.000 0.305 594 G C -1.101 173.831 174.900 0.055 0.000 1.190 594 G CA -0.473 44.634 45.100 0.012 0.000 0.933 594 G HN 0.729 nan 8.290 nan 0.000 0.503 595 A N -1.268 121.653 122.820 0.167 0.000 2.610 595 A HA 0.997 5.317 4.320 -0.001 0.000 0.291 595 A C 0.164 178.001 177.584 0.422 0.000 1.086 595 A CA 0.432 52.654 52.037 0.307 0.000 0.677 595 A CB 0.775 19.902 19.000 0.212 0.000 1.278 595 A HN 2.830 nan 8.150 nan 0.000 0.414 596 A N -1.517 121.563 122.820 0.432 0.000 5.865 596 A HA 0.455 4.775 4.320 -0.001 0.000 0.441 596 A C 1.081 179.002 177.584 0.561 0.000 1.559 596 A CA 1.310 53.682 52.037 0.558 0.000 0.547 596 A CB -1.820 17.612 19.000 0.721 0.000 2.441 596 A HN 3.107 nan 8.150 nan 0.000 0.448 597 G N -1.796 107.174 108.800 0.283 0.000 2.899 597 G HA2 0.600 4.559 3.960 -0.001 0.000 0.137 597 G HA3 0.600 4.559 3.960 -0.001 0.000 0.137 597 G C -0.650 174.157 174.900 -0.155 0.000 1.198 597 G CA 0.012 45.152 45.100 0.066 0.000 1.126 597 G HN 1.417 nan 8.290 nan 0.000 0.589 598 Y N 1.936 122.207 120.300 -0.049 0.000 2.544 598 Y HA 0.325 4.874 4.550 -0.001 0.000 0.330 598 Y C 1.839 177.761 175.900 0.037 0.000 1.136 598 Y CA 0.624 58.724 58.100 0.001 0.000 1.417 598 Y CB 1.309 39.756 38.460 -0.021 0.000 1.229 598 Y HN 0.532 nan 8.280 nan 0.000 0.532 599 G N 2.527 111.446 108.800 0.198 0.000 2.418 599 G HA2 -0.297 3.663 3.960 -0.001 0.000 0.217 599 G HA3 -0.297 3.663 3.960 -0.001 0.000 0.217 599 G C 1.438 176.471 174.900 0.221 0.000 1.158 599 G CA 0.747 45.947 45.100 0.167 0.000 0.771 599 G HN 0.570 nan 8.290 nan 0.000 0.545 600 N N 0.233 119.087 118.700 0.255 0.000 2.443 600 N HA 0.010 4.750 4.740 -0.001 0.000 0.184 600 N C 1.932 177.597 175.510 0.259 0.000 1.037 600 N CA 0.389 53.597 53.050 0.263 0.000 0.896 600 N CB -0.129 38.560 38.487 0.336 0.000 0.959 600 N HN 0.312 nan 8.380 nan 0.000 0.442 601 L N -1.466 119.886 121.223 0.214 0.000 2.558 601 L HA 0.177 4.517 4.340 -0.001 0.000 0.225 601 L C 1.372 178.468 176.870 0.377 0.000 1.128 601 L CA 0.453 55.461 54.840 0.280 0.000 0.868 601 L CB 0.037 42.252 42.059 0.259 0.000 1.006 601 L HN 0.271 nan 8.230 nan 0.000 0.454 602 G N -1.080 107.913 108.800 0.323 0.000 2.284 602 G HA2 -0.244 3.716 3.960 -0.001 0.000 0.201 602 G HA3 -0.244 3.716 3.960 -0.001 0.000 0.201 602 G C 0.447 175.536 174.900 0.314 0.000 0.998 602 G CA 0.094 45.369 45.100 0.291 0.000 0.651 602 G HN 0.184 nan 8.290 nan 0.000 0.489 603 S N 0.472 116.402 115.700 0.383 0.000 2.509 603 S HA 0.397 4.866 4.470 -0.001 0.000 0.287 603 S C 1.170 175.925 174.600 0.258 0.000 1.248 603 S CA 0.296 58.723 58.200 0.379 0.000 1.089 603 S CB 0.060 63.491 63.200 0.384 0.000 0.900 603 S HN 0.593 nan 8.310 nan 0.000 0.496 604 F N 5.586 125.613 119.950 0.129 0.000 2.098 604 F HA 0.164 4.691 4.527 -0.001 0.000 0.294 604 F C 1.489 177.281 175.800 -0.013 0.000 1.107 604 F CA 1.070 59.096 58.000 0.042 0.000 1.234 604 F CB -0.106 38.900 39.000 0.010 0.000 1.002 604 F HN 0.542 nan 8.300 nan 0.000 0.472 605 R N 1.262 121.798 120.500 0.061 0.000 2.401 605 R HA 0.337 4.676 4.340 -0.001 0.000 0.299 605 R C -1.436 174.745 176.300 -0.198 0.000 1.064 605 R CA -0.106 55.941 56.100 -0.088 0.000 1.000 605 R CB 0.467 30.848 30.300 0.135 0.000 0.973 605 R HN 0.048 nan 8.270 nan 0.000 0.438 606 V N 6.057 125.607 119.914 -0.607 0.000 2.581 606 V HA 0.496 4.615 4.120 -0.001 0.000 0.303 606 V C -0.827 174.580 176.094 -1.146 0.000 1.041 606 V CA -0.535 61.321 62.300 -0.740 0.000 0.907 606 V CB 1.610 32.851 31.823 -0.970 0.000 0.994 606 V HN 0.644 nan 8.190 nan 0.000 0.442 607 F N 1.126 120.724 119.950 -0.587 0.000 2.941 607 F HA 0.297 4.823 4.527 -0.001 0.000 0.359 607 F C 0.446 175.541 175.800 -1.174 0.000 1.231 607 F CA -0.435 56.972 58.000 -0.988 0.000 1.089 607 F CB 1.891 40.147 39.000 -1.240 0.000 1.407 607 F HN 0.321 nan 8.300 nan 0.000 0.538 608 T N 2.378 116.522 114.554 -0.683 0.000 3.185 608 T HA 0.056 4.406 4.350 -0.001 0.000 0.287 608 T C -0.213 174.224 174.700 -0.438 0.000 1.051 608 T CA -0.333 61.527 62.100 -0.400 0.000 1.051 608 T CB -0.528 68.412 68.868 0.120 0.000 1.034 608 T HN 0.299 nan 8.240 nan 0.000 0.685 609 W N 3.077 124.126 121.300 -0.419 0.000 2.257 609 W HA 0.219 4.878 4.660 -0.001 0.000 0.337 609 W C 1.327 177.866 176.519 0.034 0.000 1.321 609 W CA -0.672 56.548 57.345 -0.209 0.000 1.267 609 W CB 0.125 29.431 29.460 -0.256 0.000 1.187 609 W HN 0.530 nan 8.180 nan 0.000 0.565 610 S N 1.554 117.389 115.700 0.224 0.000 2.641 610 S HA 0.172 4.641 4.470 -0.001 0.000 0.261 610 S C -0.029 174.686 174.600 0.192 0.000 1.257 610 S CA -0.948 57.352 58.200 0.165 0.000 0.983 610 S CB 0.678 63.938 63.200 0.099 0.000 0.990 610 S HN 0.426 nan 8.310 nan 0.000 0.572 611 D N 2.696 123.166 120.400 0.117 0.000 2.372 611 D HA 0.337 4.977 4.640 -0.001 0.000 0.243 611 D C -1.930 174.393 176.300 0.039 0.000 1.121 611 D CA -0.941 53.103 54.000 0.074 0.000 0.898 611 D CB 0.525 41.338 40.800 0.022 0.000 1.202 611 D HN 0.431 nan 8.370 nan 0.000 0.428 612 P HA 0.031 nan 4.420 nan 0.000 0.272 612 P C -0.379 176.884 177.300 -0.062 0.000 1.230 612 P CA -0.344 62.722 63.100 -0.057 0.000 0.788 612 P CB 0.928 32.486 31.700 -0.236 0.000 0.949 613 D N 0.496 120.873 120.400 -0.038 0.000 2.496 613 D HA 0.012 4.651 4.640 -0.001 0.000 0.283 613 D C 1.281 177.552 176.300 -0.048 0.000 1.214 613 D CA -0.264 53.718 54.000 -0.031 0.000 1.089 613 D CB -0.313 40.483 40.800 -0.007 0.000 1.141 613 D HN 0.369 nan 8.370 nan 0.000 0.580 614 E N -0.236 119.944 120.200 -0.034 0.000 2.338 614 E HA -0.179 4.170 4.350 -0.001 0.000 0.197 614 E C 0.423 177.002 176.600 -0.034 0.000 1.007 614 E CA 0.840 57.218 56.400 -0.036 0.000 0.849 614 E CB -0.598 29.088 29.700 -0.024 0.000 0.774 614 E HN 0.386 nan 8.360 nan 0.000 0.506 615 N N 0.637 119.322 118.700 -0.025 0.000 2.280 615 N HA 0.081 4.820 4.740 -0.001 0.000 0.192 615 N C 0.847 176.348 175.510 -0.014 0.000 1.109 615 N CA 0.840 53.880 53.050 -0.017 0.000 0.855 615 N CB 0.972 39.454 38.487 -0.008 0.000 0.974 615 N HN 0.431 nan 8.380 nan 0.000 0.482 616 G N 0.542 109.319 108.800 -0.038 0.000 2.136 616 G HA2 -0.251 3.709 3.960 -0.001 0.000 0.242 616 G HA3 -0.251 3.709 3.960 -0.001 0.000 0.242 616 G C -0.116 174.812 174.900 0.045 0.000 0.989 616 G CA 0.086 45.164 45.100 -0.036 0.000 0.682 616 G HN 0.176 nan 8.290 nan 0.000 0.522 617 V N 1.395 121.314 119.914 0.009 0.000 2.481 617 V HA 0.786 4.906 4.120 -0.001 0.000 0.286 617 V C 0.712 176.820 176.094 0.025 0.000 1.042 617 V CA -0.066 62.238 62.300 0.007 0.000 0.928 617 V CB 1.464 33.287 31.823 -0.000 0.000 0.986 617 V HN 0.725 nan 8.190 nan 0.000 0.462 618 R N 2.025 122.538 120.500 0.022 0.000 2.837 618 R HA 0.890 5.229 4.340 -0.001 0.000 0.271 618 R C -0.814 175.596 176.300 0.182 0.000 0.993 618 R CA -0.682 55.476 56.100 0.096 0.000 0.931 618 R CB 2.201 32.581 30.300 0.134 0.000 1.206 618 R HN 0.665 nan 8.270 nan 0.000 0.474 619 T N -1.978 112.719 114.554 0.238 0.000 2.865 619 T HA 0.571 4.921 4.350 -0.001 0.000 0.294 619 T C -2.894 171.793 174.700 -0.021 0.000 1.119 619 T CA -2.535 59.706 62.100 0.234 0.000 1.007 619 T CB 2.071 71.019 68.868 0.134 0.000 1.225 619 T HN 0.362 nan 8.240 nan 0.000 0.515 620 P HA 0.231 nan 4.420 nan 0.000 0.271 620 P C 0.953 177.811 177.300 -0.738 0.000 1.216 620 P CA -0.467 62.001 63.100 -1.054 0.000 0.771 620 P CB 0.800 31.290 31.700 -2.017 0.000 0.864 621 V N -0.006 119.622 119.914 -0.477 0.000 3.621 621 V HA 0.279 4.399 4.120 -0.001 0.000 0.263 621 V C 0.421 176.463 176.094 -0.088 0.000 1.272 621 V CA 0.802 63.006 62.300 -0.159 0.000 1.080 621 V CB -0.661 31.151 31.823 -0.019 0.000 0.816 621 V HN 0.649 nan 8.190 nan 0.000 0.451 622 H N -0.838 117.962 119.070 -0.451 0.000 3.003 622 H HA 0.635 5.190 4.556 -0.001 0.000 0.327 622 H C -0.240 174.838 175.328 -0.417 0.000 1.353 622 H CA 0.355 56.267 56.048 -0.227 0.000 1.142 622 H CB 1.611 31.349 29.762 -0.041 0.000 1.864 622 H HN 0.646 nan 8.280 nan 0.000 0.529 623 G N 1.817 110.012 108.800 -1.008 0.000 2.225 623 G HA2 -0.083 3.876 3.960 -0.001 0.000 0.203 623 G HA3 -0.083 3.876 3.960 -0.001 0.000 0.203 623 G C -1.185 173.426 174.900 -0.482 0.000 1.335 623 G CA -0.415 44.085 45.100 -0.999 0.000 1.183 623 G HN 0.573 nan 8.290 nan 0.000 0.488 624 E N 1.583 121.397 120.200 -0.643 0.000 2.558 624 E HA 0.303 4.652 4.350 -0.001 0.000 0.255 624 E C 1.153 177.671 176.600 -0.137 0.000 0.968 624 E CA 1.131 57.307 56.400 -0.373 0.000 0.939 624 E CB 1.096 30.441 29.700 -0.591 0.000 0.921 624 E HN 0.862 nan 8.360 nan 0.000 0.477 625 T N -0.430 113.984 114.554 -0.233 0.000 3.349 625 T HA 0.069 4.418 4.350 -0.001 0.000 0.169 625 T C 0.226 174.728 174.700 -0.331 0.000 0.938 625 T CA -0.623 61.211 62.100 -0.442 0.000 1.017 625 T CB 0.070 68.851 68.868 -0.145 0.000 1.476 625 T HN 0.578 nan 8.240 nan 0.000 0.327 626 W N 3.276 124.305 121.300 -0.451 0.000 2.335 626 W HA 0.620 5.280 4.660 -0.001 0.000 0.307 626 W C -1.971 174.356 176.519 -0.320 0.000 1.117 626 W CA -0.763 56.347 57.345 -0.391 0.000 1.228 626 W CB 1.166 30.305 29.460 -0.536 0.000 1.240 626 W HN 0.252 nan 8.180 nan 0.000 0.468 627 V N 6.036 125.404 119.914 -0.910 0.000 2.531 627 V HA 0.781 4.900 4.120 -0.001 0.000 0.301 627 V C -0.228 175.319 176.094 -0.912 0.000 1.034 627 V CA -0.729 61.151 62.300 -0.701 0.000 0.865 627 V CB 1.035 32.732 31.823 -0.211 0.000 0.995 627 V HN 0.659 nan 8.190 nan 0.000 0.424 628 A N 5.442 127.839 122.820 -0.705 0.000 2.517 628 A HA 0.960 5.279 4.320 -0.001 0.000 0.297 628 A C -1.289 176.157 177.584 -0.230 0.000 1.050 628 A CA -0.593 51.159 52.037 -0.475 0.000 0.694 628 A CB 1.790 20.568 19.000 -0.370 0.000 1.277 628 A HN 0.705 nan 8.150 nan 0.000 0.400 629 M N 2.141 121.623 119.600 -0.198 0.000 2.190 629 M HA 0.613 5.093 4.480 -0.001 0.000 0.312 629 M C -1.004 175.202 176.300 -0.158 0.000 0.990 629 M CA 0.086 55.368 55.300 -0.029 0.000 0.927 629 M CB 1.358 33.972 32.600 0.023 0.000 1.571 629 M HN 0.508 nan 8.290 nan 0.000 0.427 630 I N 1.474 121.887 120.570 -0.262 0.000 2.474 630 I HA 0.444 4.614 4.170 -0.001 0.000 0.294 630 I C -0.302 175.485 176.117 -0.549 0.000 1.005 630 I CA -0.480 60.456 61.300 -0.607 0.000 1.113 630 I CB 1.988 39.321 38.000 -1.111 0.000 1.289 630 I HN 0.643 nan 8.210 nan 0.000 0.436 631 E N 5.158 125.040 120.200 -0.530 0.000 2.129 631 E HA 0.352 4.702 4.350 -0.001 0.000 0.268 631 E C -1.038 175.303 176.600 -0.433 0.000 0.900 631 E CA -0.540 55.636 56.400 -0.374 0.000 0.755 631 E CB 0.706 30.277 29.700 -0.216 0.000 1.117 631 E HN 0.464 nan 8.360 nan 0.000 0.410 632 F N 3.688 123.544 119.950 -0.157 0.000 2.783 632 F HA 0.069 4.595 4.527 -0.001 0.000 0.338 632 F C 0.945 176.699 175.800 -0.077 0.000 1.178 632 F CA -0.240 57.694 58.000 -0.110 0.000 1.343 632 F CB -0.281 38.652 39.000 -0.112 0.000 1.496 632 F HN 0.281 nan 8.300 nan 0.000 0.583 633 S N -1.368 114.329 115.700 -0.006 0.000 2.652 633 S HA 0.491 4.961 4.470 -0.001 0.000 0.267 633 S C 0.218 174.831 174.600 0.021 0.000 1.201 633 S CA -0.746 57.455 58.200 0.002 0.000 0.996 633 S CB 1.054 64.235 63.200 -0.033 0.000 1.054 633 S HN 0.140 nan 8.310 nan 0.000 0.561 634 T N 2.861 117.427 114.554 0.019 0.000 2.892 634 T HA 0.502 4.852 4.350 -0.001 0.000 0.311 634 T C -2.436 172.274 174.700 0.017 0.000 1.033 634 T CA -0.839 61.278 62.100 0.029 0.000 0.991 634 T CB 1.083 69.974 68.868 0.038 0.000 0.981 634 T HN 0.614 nan 8.240 nan 0.000 0.457 635 P HA 0.361 nan 4.420 nan 0.000 0.276 635 P C 0.349 177.637 177.300 -0.021 0.000 1.252 635 P CA -0.576 62.532 63.100 0.012 0.000 0.802 635 P CB 0.677 32.384 31.700 0.012 0.000 1.035 636 V N -0.387 119.507 119.914 -0.033 0.000 3.287 636 V HA 0.277 4.397 4.120 -0.001 0.000 0.306 636 V C 0.342 176.336 176.094 -0.168 0.000 1.103 636 V CA -0.246 61.976 62.300 -0.130 0.000 1.159 636 V CB -0.194 31.512 31.823 -0.194 0.000 1.036 636 V HN 0.703 nan 8.190 nan 0.000 0.487 637 R N 1.772 122.124 120.500 -0.246 0.000 2.532 637 R HA 0.760 5.099 4.340 -0.001 0.000 0.297 637 R C -0.879 175.217 176.300 -0.340 0.000 0.984 637 R CA 0.144 56.104 56.100 -0.234 0.000 0.884 637 R CB 1.761 31.999 30.300 -0.104 0.000 1.182 637 R HN 1.327 nan 8.270 nan 0.000 0.442 638 A N 3.398 125.950 122.820 -0.446 0.000 2.515 638 A HA 0.695 5.014 4.320 -0.001 0.000 0.298 638 A C -1.988 175.264 177.584 -0.553 0.000 1.059 638 A CA -0.533 51.225 52.037 -0.465 0.000 0.698 638 A CB 1.205 19.800 19.000 -0.675 0.000 1.289 638 A HN 0.631 nan 8.150 nan 0.000 0.404 639 Y N -0.248 119.930 120.300 -0.204 0.000 2.545 639 Y HA 0.755 5.304 4.550 -0.001 0.000 0.348 639 Y C 0.718 176.557 175.900 -0.102 0.000 1.002 639 Y CA 0.126 58.162 58.100 -0.107 0.000 1.039 639 Y CB 2.925 41.306 38.460 -0.132 0.000 1.271 639 Y HN 1.220 nan 8.280 nan 0.000 0.467 640 G N 1.221 110.145 108.800 0.207 0.000 2.550 640 G HA2 0.712 4.671 3.960 -0.001 0.000 0.293 640 G HA3 0.712 4.671 3.960 -0.001 0.000 0.293 640 G C -2.364 172.555 174.900 0.032 0.000 1.402 640 G CA -0.838 44.282 45.100 0.034 0.000 0.784 640 G HN 0.542 nan 8.290 nan 0.000 0.482 641 L N -0.669 120.409 121.223 -0.241 0.000 2.582 641 L HA 0.641 4.981 4.340 -0.001 0.000 0.257 641 L C -1.364 175.404 176.870 -0.170 0.000 0.974 641 L CA -0.844 53.852 54.840 -0.239 0.000 0.851 641 L CB 2.632 44.418 42.059 -0.455 0.000 1.424 641 L HN 0.607 nan 8.230 nan 0.000 0.412 642 M N 0.605 120.162 119.600 -0.073 0.000 2.022 642 M HA 0.361 4.841 4.480 -0.001 0.000 0.298 642 M C 0.575 176.681 176.300 -0.323 0.000 0.909 642 M CA 0.051 55.307 55.300 -0.073 0.000 0.914 642 M CB 1.451 34.145 32.600 0.157 0.000 1.486 642 M HN 0.557 nan 8.290 nan 0.000 0.415 643 S N 3.192 118.547 115.700 -0.576 0.000 2.401 643 S HA -0.226 4.243 4.470 -0.001 0.000 0.236 643 S C 0.720 174.909 174.600 -0.685 0.000 1.058 643 S CA 2.495 60.267 58.200 -0.713 0.000 1.151 643 S CB -0.706 61.793 63.200 -1.168 0.000 1.049 643 S HN 0.803 nan 8.310 nan 0.000 0.432 644 Y N 1.538 121.494 120.300 -0.573 0.000 2.775 644 Y HA 0.589 5.138 4.550 -0.001 0.000 0.349 644 Y C 1.045 176.810 175.900 -0.225 0.000 1.094 644 Y CA -1.261 56.530 58.100 -0.516 0.000 1.467 644 Y CB -1.322 36.867 38.460 -0.452 0.000 1.272 644 Y HN 0.318 nan 8.280 nan 0.000 0.515 645 G N 1.574 110.411 108.800 0.061 0.000 2.749 645 G HA2 -0.396 3.563 3.960 -0.001 0.000 0.242 645 G HA3 -0.396 3.563 3.960 -0.001 0.000 0.242 645 G C 0.095 175.217 174.900 0.370 0.000 1.364 645 G CA 0.237 45.468 45.100 0.220 0.000 0.888 645 G HN 0.520 nan 8.290 nan 0.000 0.566 646 N N -0.404 118.527 118.700 0.384 0.000 2.214 646 N HA 0.427 5.166 4.740 -0.001 0.000 0.214 646 N C -0.024 175.764 175.510 0.463 0.000 1.132 646 N CA 1.061 54.380 53.050 0.448 0.000 0.856 646 N CB 0.445 39.112 38.487 0.300 0.000 1.020 646 N HN 0.841 nan 8.380 nan 0.000 0.509 647 S N -0.964 114.912 115.700 0.294 0.000 2.537 647 S HA 0.437 4.907 4.470 -0.001 0.000 0.271 647 S C -0.392 174.228 174.600 0.033 0.000 1.148 647 S CA -0.652 57.459 58.200 -0.147 0.000 0.868 647 S CB 1.235 64.406 63.200 -0.049 0.000 1.115 647 S HN 0.223 nan 8.310 nan 0.000 0.461 648 R N 1.361 121.750 120.500 -0.185 0.000 2.549 648 R HA 0.264 4.603 4.340 -0.001 0.000 0.344 648 R C -0.235 175.939 176.300 -0.209 0.000 0.979 648 R CA -0.277 55.763 56.100 -0.100 0.000 1.140 648 R CB 0.235 30.556 30.300 0.035 0.000 1.377 648 R HN 0.570 nan 8.270 nan 0.000 0.541 649 Q N 1.481 121.145 119.800 -0.227 0.000 2.395 649 Q HA 0.097 4.436 4.340 -0.001 0.000 0.271 649 Q C -2.306 173.590 176.000 -0.174 0.000 1.026 649 Q CA -1.498 54.185 55.803 -0.200 0.000 0.900 649 Q CB 0.527 29.142 28.738 -0.206 0.000 1.266 649 Q HN 0.066 nan 8.270 nan 0.000 0.430 650 P HA -0.003 nan 4.420 nan 0.000 0.263 650 P C 0.462 177.697 177.300 -0.109 0.000 1.195 650 P CA 1.063 64.082 63.100 -0.135 0.000 0.762 650 P CB 0.319 31.951 31.700 -0.113 0.000 0.799 651 G N 1.724 110.464 108.800 -0.100 0.000 2.179 651 G HA2 -0.266 3.693 3.960 -0.001 0.000 0.260 651 G HA3 -0.266 3.693 3.960 -0.001 0.000 0.260 651 G C 0.580 175.436 174.900 -0.073 0.000 0.977 651 G CA 0.302 45.357 45.100 -0.075 0.000 0.641 651 G HN 0.752 nan 8.290 nan 0.000 0.533 652 T N 0.765 115.273 114.554 -0.078 0.000 2.932 652 T HA 0.414 4.763 4.350 -0.001 0.000 0.312 652 T C 1.961 176.616 174.700 -0.075 0.000 1.071 652 T CA 1.547 63.607 62.100 -0.068 0.000 1.128 652 T CB 0.578 69.428 68.868 -0.029 0.000 0.984 652 T HN 0.929 nan 8.240 nan 0.000 0.549 653 T N 1.111 115.535 114.554 -0.217 0.000 3.107 653 T HA 0.131 4.480 4.350 -0.001 0.000 0.249 653 T C 0.674 175.132 174.700 -0.402 0.000 1.096 653 T CA 0.159 62.071 62.100 -0.312 0.000 1.012 653 T CB -0.138 68.473 68.868 -0.428 0.000 0.977 653 T HN 0.731 nan 8.240 nan 0.000 0.527 654 H N -0.093 119.041 119.070 0.107 0.000 2.502 654 H HA 0.309 4.865 4.556 -0.001 0.000 0.268 654 H C -0.120 175.346 175.328 0.229 0.000 1.177 654 H CA -0.657 55.489 56.048 0.162 0.000 0.961 654 H CB 0.108 29.968 29.762 0.164 0.000 1.737 654 H HN 0.419 nan 8.280 nan 0.000 0.569 655 Y N 1.443 121.822 120.300 0.131 0.000 2.609 655 Y HA 0.032 4.582 4.550 -0.001 0.000 0.281 655 Y C 1.739 177.714 175.900 0.125 0.000 1.132 655 Y CA 0.871 59.047 58.100 0.126 0.000 1.264 655 Y CB 0.658 39.158 38.460 0.066 0.000 1.325 655 Y HN 0.099 nan 8.280 nan 0.000 0.514 656 S N -0.561 115.148 115.700 0.015 0.000 2.602 656 S HA 0.101 4.570 4.470 -0.001 0.000 0.240 656 S C 0.428 175.047 174.600 0.032 0.000 0.992 656 S CA 0.044 58.204 58.200 -0.066 0.000 0.971 656 S CB -0.331 62.880 63.200 0.018 0.000 0.855 656 S HN 0.542 nan 8.310 nan 0.000 0.481 657 D N 0.998 121.463 120.400 0.109 0.000 2.319 657 D HA 0.050 4.689 4.640 -0.001 0.000 0.230 657 D C 1.033 177.497 176.300 0.275 0.000 1.094 657 D CA 0.106 54.217 54.000 0.185 0.000 0.856 657 D CB -0.033 40.899 40.800 0.220 0.000 0.915 657 D HN 0.530 nan 8.370 nan 0.000 0.517 658 Q N -0.905 118.973 119.800 0.129 0.000 2.171 658 Q HA 0.185 4.525 4.340 -0.001 0.000 0.250 658 Q C 1.460 177.430 176.000 -0.050 0.000 0.791 658 Q CA -0.333 55.492 55.803 0.036 0.000 0.950 658 Q CB 0.507 29.219 28.738 -0.043 0.000 1.151 658 Q HN 0.061 nan 8.270 nan 0.000 0.480 659 I N 2.086 122.623 120.570 -0.054 0.000 2.335 659 I HA -0.241 3.928 4.170 -0.001 0.000 0.251 659 I C 2.230 178.339 176.117 -0.014 0.000 1.129 659 I CA 1.525 62.794 61.300 -0.052 0.000 1.402 659 I CB 0.031 38.006 38.000 -0.041 0.000 1.069 659 I HN 0.182 nan 8.210 nan 0.000 0.424 660 E N 0.673 120.876 120.200 0.004 0.000 2.072 660 E HA -0.208 4.142 4.350 -0.001 0.000 0.191 660 E C 2.379 178.974 176.600 -0.008 0.000 0.985 660 E CA 1.109 57.517 56.400 0.013 0.000 0.801 660 E CB -0.055 29.666 29.700 0.034 0.000 0.750 660 E HN 0.493 nan 8.360 nan 0.000 0.452 661 R N 0.010 120.495 120.500 -0.025 0.000 2.092 661 R HA -0.073 4.267 4.340 -0.001 0.000 0.231 661 R C 2.534 178.743 176.300 -0.151 0.000 1.119 661 R CA 1.104 57.160 56.100 -0.074 0.000 0.970 661 R CB -0.254 29.988 30.300 -0.096 0.000 0.864 661 R HN 0.058 nan 8.270 nan 0.000 0.440 662 V N 1.213 121.032 119.914 -0.158 0.000 2.332 662 V HA -0.276 3.844 4.120 -0.001 0.000 0.248 662 V C 2.438 178.492 176.094 -0.066 0.000 1.055 662 V CA 2.234 64.434 62.300 -0.166 0.000 1.038 662 V CB -0.584 31.194 31.823 -0.075 0.000 0.651 662 V HN 0.478 nan 8.190 nan 0.000 0.450 663 S N 0.156 115.838 115.700 -0.030 0.000 2.500 663 S HA -0.139 4.330 4.470 -0.001 0.000 0.239 663 S C 1.745 176.349 174.600 0.007 0.000 0.989 663 S CA 1.112 59.308 58.200 -0.007 0.000 0.951 663 S CB -0.327 62.874 63.200 0.002 0.000 0.759 663 S HN 0.673 nan 8.310 nan 0.000 0.523 664 R N 0.237 120.729 120.500 -0.013 0.000 2.508 664 R HA 0.511 4.850 4.340 -0.001 0.000 0.300 664 R C 0.820 177.122 176.300 0.004 0.000 0.970 664 R CA 0.359 56.463 56.100 0.007 0.000 1.102 664 R CB 0.259 30.563 30.300 0.006 0.000 1.246 664 R HN 0.410 nan 8.270 nan 0.000 0.539 665 A N 2.222 125.015 122.820 -0.045 0.000 2.783 665 A HA -0.203 4.116 4.320 -0.001 0.000 0.292 665 A C -0.171 177.409 177.584 -0.007 0.000 1.495 665 A CA 1.217 53.232 52.037 -0.037 0.000 0.787 665 A CB -1.616 17.480 19.000 0.160 0.000 1.017 665 A HN 0.399 nan 8.150 nan 0.000 0.516 666 D N -0.097 120.226 120.400 -0.129 0.000 2.500 666 D HA 0.531 5.170 4.640 -0.001 0.000 0.219 666 D C -0.072 176.168 176.300 -0.101 0.000 1.137 666 D CA -0.302 53.683 54.000 -0.025 0.000 0.946 666 D CB -0.406 40.388 40.800 -0.010 0.000 1.022 666 D HN 0.224 nan 8.370 nan 0.000 0.518 667 F N 1.679 121.620 119.950 -0.016 0.000 2.450 667 F HA 0.320 4.846 4.527 -0.001 0.000 0.339 667 F C 1.740 177.597 175.800 0.094 0.000 1.146 667 F CA -0.196 57.810 58.000 0.010 0.000 1.267 667 F CB 0.670 39.684 39.000 0.022 0.000 1.178 667 F HN -0.031 nan 8.300 nan 0.000 0.585 668 R N 0.833 121.450 120.500 0.195 0.000 2.459 668 R HA 0.223 4.563 4.340 -0.001 0.000 0.281 668 R C -0.405 175.977 176.300 0.136 0.000 1.050 668 R CA -0.840 55.331 56.100 0.118 0.000 1.055 668 R CB 0.931 31.200 30.300 -0.052 0.000 1.045 668 R HN 0.630 nan 8.270 nan 0.000 0.495 669 E N 3.268 123.472 120.200 0.006 0.000 2.223 669 E HA 0.082 4.432 4.350 -0.001 0.000 0.282 669 E C -0.687 175.781 176.600 -0.220 0.000 1.046 669 E CA -0.388 55.794 56.400 -0.365 0.000 0.857 669 E CB 0.603 30.114 29.700 -0.316 0.000 1.055 669 E HN 0.359 nan 8.360 nan 0.000 0.409 670 L N 5.749 126.796 121.223 -0.294 0.000 2.410 670 L HA 0.145 4.485 4.340 -0.001 0.000 0.273 670 L C -0.149 176.539 176.870 -0.304 0.000 1.144 670 L CA -0.255 54.431 54.840 -0.257 0.000 0.863 670 L CB 0.226 42.086 42.059 -0.333 0.000 1.140 670 L HN 0.544 nan 8.230 nan 0.000 0.463 671 L N 5.323 126.454 121.223 -0.154 0.000 2.272 671 L HA 0.178 4.517 4.340 -0.001 0.000 0.284 671 L C 0.479 177.317 176.870 -0.052 0.000 1.045 671 L CA -0.390 54.409 54.840 -0.068 0.000 0.842 671 L CB 1.073 43.148 42.059 0.025 0.000 1.224 671 L HN 0.596 nan 8.230 nan 0.000 0.430 672 L N 1.974 123.104 121.223 -0.156 0.000 2.357 672 L HA 0.216 4.556 4.340 -0.001 0.000 0.211 672 L C 1.184 178.145 176.870 0.151 0.000 1.075 672 L CA 0.635 55.397 54.840 -0.130 0.000 0.830 672 L CB -0.187 41.770 42.059 -0.170 0.000 0.996 672 L HN 0.443 nan 8.230 nan 0.000 0.467 673 R N 0.159 120.698 120.500 0.065 0.000 2.389 673 R HA 0.090 4.429 4.340 -0.001 0.000 0.295 673 R C 1.053 177.372 176.300 0.031 0.000 1.075 673 R CA -0.368 55.772 56.100 0.067 0.000 1.005 673 R CB 0.867 31.183 30.300 0.027 0.000 0.987 673 R HN -0.087 nan 8.270 nan 0.000 0.452 674 R N 2.941 123.420 120.500 -0.034 0.000 2.140 674 R HA -0.256 4.084 4.340 -0.001 0.000 0.250 674 R C 0.985 177.186 176.300 -0.165 0.000 1.150 674 R CA 2.302 58.264 56.100 -0.229 0.000 0.966 674 R CB -0.080 29.851 30.300 -0.614 0.000 0.869 674 R HN 0.693 nan 8.270 nan 0.000 0.445 675 E N 0.016 120.161 120.200 -0.091 0.000 2.110 675 E HA -0.201 4.148 4.350 -0.001 0.000 0.193 675 E C 2.107 178.676 176.600 -0.052 0.000 0.988 675 E CA 1.731 58.095 56.400 -0.061 0.000 0.804 675 E CB -0.198 29.487 29.700 -0.026 0.000 0.745 675 E HN 0.558 nan 8.360 nan 0.000 0.458 676 Q N 0.303 120.077 119.800 -0.043 0.000 2.079 676 Q HA -0.078 4.262 4.340 -0.001 0.000 0.200 676 Q C 2.352 178.316 176.000 -0.061 0.000 0.974 676 Q CA 1.350 57.130 55.803 -0.038 0.000 0.840 676 Q CB -0.114 28.604 28.738 -0.033 0.000 0.898 676 Q HN 0.155 nan 8.270 nan 0.000 0.430 677 V N 1.602 121.458 119.914 -0.097 0.000 2.287 677 V HA -0.285 3.835 4.120 -0.001 0.000 0.248 677 V C 1.942 177.959 176.094 -0.128 0.000 1.053 677 V CA 2.117 64.303 62.300 -0.190 0.000 1.027 677 V CB -0.574 31.137 31.823 -0.187 0.000 0.646 677 V HN 0.363 nan 8.190 nan 0.000 0.447 678 E N 0.171 120.304 120.200 -0.113 0.000 2.160 678 E HA -0.194 4.155 4.350 -0.001 0.000 0.195 678 E C 2.222 178.798 176.600 -0.039 0.000 0.991 678 E CA 1.271 57.621 56.400 -0.083 0.000 0.810 678 E CB -0.312 29.330 29.700 -0.097 0.000 0.742 678 E HN 0.623 nan 8.360 nan 0.000 0.466 679 A N 0.747 123.547 122.820 -0.033 0.000 2.066 679 A HA 0.097 4.417 4.320 -0.001 0.000 0.218 679 A C 2.121 179.711 177.584 0.010 0.000 1.157 679 A CA 1.281 53.313 52.037 -0.007 0.000 0.670 679 A CB -0.018 18.979 19.000 -0.004 0.000 0.804 679 A HN 0.250 nan 8.150 nan 0.000 0.453 680 A N -1.036 121.788 122.820 0.006 0.000 2.390 680 A HA 0.460 4.779 4.320 -0.001 0.000 0.232 680 A C 0.807 178.427 177.584 0.060 0.000 1.233 680 A CA 0.205 52.267 52.037 0.041 0.000 0.907 680 A CB -0.336 18.699 19.000 0.058 0.000 0.967 680 A HN 0.528 nan 8.150 nan 0.000 0.512 681 V N 0.863 120.801 119.914 0.041 0.000 2.540 681 V HA 0.038 4.157 4.120 -0.001 0.000 0.297 681 V C 0.781 176.939 176.094 0.108 0.000 1.024 681 V CA 0.501 62.853 62.300 0.088 0.000 1.105 681 V CB 0.914 32.778 31.823 0.068 0.000 0.938 681 V HN 0.609 nan 8.190 nan 0.000 0.482 682 Q N 4.184 124.076 119.800 0.155 0.000 2.442 682 Q HA 0.297 4.637 4.340 -0.001 0.000 0.228 682 Q C 0.045 176.137 176.000 0.153 0.000 0.902 682 Q CA 0.654 56.537 55.803 0.134 0.000 0.933 682 Q CB 0.767 29.585 28.738 0.134 0.000 1.071 682 Q HN 0.884 nan 8.270 nan 0.000 0.562 683 E N 0.403 120.745 120.200 0.237 0.000 2.312 683 E HA 0.582 4.932 4.350 -0.001 0.000 0.267 683 E C -0.902 175.923 176.600 0.375 0.000 0.894 683 E CA -0.530 56.016 56.400 0.242 0.000 0.773 683 E CB 2.287 32.069 29.700 0.137 0.000 1.241 683 E HN -0.118 nan 8.360 nan 0.000 0.432 684 R N 0.520 121.201 120.500 0.301 0.000 2.575 684 R HA 0.456 4.795 4.340 -0.001 0.000 0.293 684 R C -1.193 175.280 176.300 0.289 0.000 0.983 684 R CA -0.575 55.702 56.100 0.296 0.000 0.887 684 R CB 2.242 32.641 30.300 0.166 0.000 1.184 684 R HN 0.349 nan 8.270 nan 0.000 0.445 685 T N 4.447 119.193 114.554 0.320 0.000 3.060 685 T HA 0.289 4.639 4.350 -0.001 0.000 0.367 685 T C -2.553 172.249 174.700 0.169 0.000 1.229 685 T CA -1.522 60.696 62.100 0.196 0.000 1.104 685 T CB 1.311 70.278 68.868 0.164 0.000 1.083 685 T HN 0.212 nan 8.240 nan 0.000 0.524 686 P HA 0.478 nan 4.420 nan 0.000 0.271 686 P C -0.784 176.615 177.300 0.164 0.000 1.218 686 P CA -0.374 62.781 63.100 0.091 0.000 0.780 686 P CB 0.358 32.086 31.700 0.048 0.000 0.901 687 F N -0.922 119.016 119.950 -0.020 0.000 2.713 687 F HA 0.540 5.067 4.527 -0.001 0.000 0.311 687 F C -1.625 174.189 175.800 0.025 0.000 1.141 687 F CA -1.011 56.987 58.000 -0.004 0.000 0.939 687 F CB 1.671 40.659 39.000 -0.020 0.000 1.325 687 F HN 0.177 nan 8.300 nan 0.000 0.453 688 N N 2.750 121.591 118.700 0.235 0.000 2.540 688 N HA 0.291 5.031 4.740 -0.001 0.000 0.275 688 N C -1.149 174.404 175.510 0.071 0.000 1.053 688 N CA -0.643 52.444 53.050 0.062 0.000 0.876 688 N CB 1.425 39.926 38.487 0.023 0.000 1.284 688 N HN 0.778 nan 8.380 nan 0.000 0.518 689 F N 0.000 119.835 119.950 -0.191 0.000 2.286 689 F HA 0.000 4.526 4.527 -0.001 0.000 0.279 689 F CA 0.000 57.630 58.000 -0.617 0.000 1.383 689 F CB 0.000 38.826 39.000 -0.290 0.000 1.145 689 F HN 0.000 nan 8.300 nan 0.000 0.574