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 1pi6_1_A DATA FIRST_RESID 2 DATA SEQUENCE SSISLKEIIP PQPSTQRNFT THLSYDPTTN AIAYPCGKSA FVRCLDDGDS DATA SEQUENCE KVPPVVQFTG HGSSVVTTVK FSPIKGSQYL CSGDESGKVI VWGWTFDKES DATA SEQUENCE NSVEVNVKSE FQVLAGPISD ISWDFEGRRL cVVGEGRDNF GVFISWDSGN DATA SEQUENCE SLGEVSGHSQ RINAcHLKQS RPMRSMTVGD DGSVVFYQGP PFKFSASDRT DATA SEQUENCE HHKQGSFVRD VEFSPDSGEF VITVGSDRKI SCFDGKSGEF LKYIEDDQEP DATA SEQUENCE VQGGIFALSW LDSQKFATVG ADATIRVWDV TTSKCVQKWT LDKQQLGNQQ DATA SEQUENCE VGVVATGNGR IISLSLDGTL NFYELGHDEV LKTISGHNKG ITALTVNPLI DATA SEQUENCE SGSYDGRIME WSSSSMHQDH SNLIVSLDNS KAQEYSSISW DDTLKVNGIT DATA SEQUENCE KHEFGSQPKV ASANNDGFTA VLTNDDDLLI LQSFTGDIIK SVRLNSPGSA DATA SEQUENCE VSLSQNYVAV GLEEGNTIQV FKLSDLEVSF DLKTPLRAKP SYISISPSET DATA SEQUENCE YIAAGDVMGK ILLYDLQSRE VKTSRWAFRT SKINAISWKP AEXXXXXXEI DATA SEQUENCE EEDLVATGSL DTNIFIYSVK RPMKIIKALN AHKDGVNNLL WETPSTLVSS DATA SEQUENCE GADACIKRWN VV 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.590 174.600 -0.017 0.000 1.055 2 S CA 0.000 58.195 58.200 -0.008 0.000 1.107 2 S CB 0.000 63.189 63.200 -0.018 0.000 0.593 3 S N 3.628 119.325 115.700 -0.006 0.000 2.724 3 S HA 0.807 5.277 4.470 -0.000 0.000 0.278 3 S C -1.838 172.763 174.600 0.002 0.000 1.190 3 S CA -0.901 57.292 58.200 -0.012 0.000 0.860 3 S CB 0.724 63.925 63.200 0.002 0.000 1.206 3 S HN 0.816 nan 8.310 nan 0.000 0.507 4 I N 1.873 122.446 120.570 0.005 0.000 2.548 4 I HA 0.554 4.724 4.170 -0.000 0.000 0.287 4 I C -0.863 175.336 176.117 0.137 0.000 1.103 4 I CA -0.550 60.775 61.300 0.041 0.000 1.049 4 I CB 2.268 40.215 38.000 -0.088 0.000 1.232 4 I HN 0.845 nan 8.210 nan 0.000 0.429 5 S N 5.620 121.444 115.700 0.206 0.000 2.538 5 S HA 0.604 5.074 4.470 -0.000 0.000 0.288 5 S C -0.771 173.949 174.600 0.200 0.000 1.108 5 S CA -0.840 57.480 58.200 0.199 0.000 0.971 5 S CB 2.196 65.450 63.200 0.090 0.000 1.041 5 S HN 0.551 nan 8.310 nan 0.000 0.483 6 L N 2.889 124.155 121.223 0.072 0.000 2.654 6 L HA 0.295 4.635 4.340 -0.000 0.000 0.271 6 L C 1.207 177.929 176.870 -0.246 0.000 1.169 6 L CA 0.806 55.437 54.840 -0.348 0.000 0.947 6 L CB -0.105 41.707 42.059 -0.412 0.000 1.232 6 L HN 1.024 nan 8.230 nan 0.000 0.486 7 K N 3.598 123.819 120.400 -0.298 0.000 2.166 7 K HA 0.103 4.422 4.320 -0.000 0.000 0.201 7 K C 0.153 176.632 176.600 -0.201 0.000 1.052 7 K CA 0.618 56.797 56.287 -0.179 0.000 0.969 7 K CB 0.386 32.814 32.500 -0.121 0.000 0.761 7 K HN 0.801 nan 8.250 nan 0.000 0.459 8 E N 0.086 120.104 120.200 -0.304 0.000 2.380 8 E HA 0.233 4.583 4.350 -0.000 0.000 0.281 8 E C -1.677 174.734 176.600 -0.314 0.000 0.999 8 E CA -0.592 55.656 56.400 -0.253 0.000 0.800 8 E CB 1.366 30.948 29.700 -0.197 0.000 1.228 8 E HN 0.064 nan 8.360 nan 0.000 0.436 9 I N 4.719 125.143 120.570 -0.244 0.000 2.436 9 I HA 0.386 4.556 4.170 -0.000 0.000 0.289 9 I C -0.327 175.678 176.117 -0.187 0.000 1.010 9 I CA -0.877 60.288 61.300 -0.225 0.000 1.098 9 I CB 1.621 39.513 38.000 -0.180 0.000 1.266 9 I HN 0.496 nan 8.210 nan 0.000 0.434 10 I N 8.532 128.976 120.570 -0.209 0.000 2.347 10 I HA 0.249 4.419 4.170 -0.000 0.000 0.283 10 I C -1.997 174.038 176.117 -0.137 0.000 1.058 10 I CA -1.754 59.407 61.300 -0.232 0.000 1.202 10 I CB 1.099 38.821 38.000 -0.463 0.000 1.386 10 I HN 0.245 nan 8.210 nan 0.000 0.475 11 P HA 0.251 nan 4.420 nan 0.000 0.272 11 P C -2.649 174.568 177.300 -0.137 0.000 1.230 11 P CA -1.191 61.817 63.100 -0.153 0.000 0.788 11 P CB 0.079 31.703 31.700 -0.127 0.000 0.949 12 P HA 0.197 nan 4.420 nan 0.000 0.277 12 P C -0.060 177.185 177.300 -0.092 0.000 1.271 12 P CA -0.215 62.803 63.100 -0.137 0.000 0.795 12 P CB 0.330 31.910 31.700 -0.199 0.000 1.101 13 Q N -0.233 119.515 119.800 -0.086 0.000 2.199 13 Q HA 0.393 4.733 4.340 -0.000 0.000 0.232 13 Q C -2.151 173.669 176.000 -0.300 0.000 0.969 13 Q CA -1.985 53.688 55.803 -0.216 0.000 0.925 13 Q CB -0.710 27.930 28.738 -0.163 0.000 1.198 13 Q HN 0.285 nan 8.270 nan 0.000 0.494 14 P HA 0.024 nan 4.420 nan 0.000 0.269 14 P C -0.418 176.818 177.300 -0.107 0.000 1.209 14 P CA 0.224 63.082 63.100 -0.403 0.000 0.776 14 P CB 0.567 31.960 31.700 -0.512 0.000 0.876 15 S N 0.962 116.682 115.700 0.034 0.000 2.562 15 S HA 0.318 4.788 4.470 -0.000 0.000 0.281 15 S C 0.137 174.723 174.600 -0.023 0.000 1.333 15 S CA 0.486 58.698 58.200 0.020 0.000 1.052 15 S CB -0.287 62.953 63.200 0.066 0.000 0.884 15 S HN 0.397 nan 8.310 nan 0.000 0.506 16 T N 2.784 117.314 114.554 -0.040 0.000 2.883 16 T HA 0.551 4.901 4.350 -0.000 0.000 0.296 16 T C -1.427 173.247 174.700 -0.043 0.000 1.117 16 T CA -0.610 61.455 62.100 -0.057 0.000 1.006 16 T CB 1.788 70.604 68.868 -0.087 0.000 1.191 16 T HN 0.603 nan 8.240 nan 0.000 0.508 17 Q N 1.541 121.322 119.800 -0.032 0.000 2.313 17 Q HA 0.449 4.789 4.340 -0.000 0.000 0.255 17 Q C -1.012 175.030 176.000 0.069 0.000 0.944 17 Q CA -0.831 54.984 55.803 0.020 0.000 0.881 17 Q CB 1.588 30.325 28.738 -0.001 0.000 1.375 17 Q HN 0.612 nan 8.270 nan 0.000 0.422 18 R N 3.508 124.042 120.500 0.056 0.000 2.537 18 R HA -0.000 4.340 4.340 -0.000 0.000 0.281 18 R C -0.222 176.148 176.300 0.116 0.000 0.988 18 R CA 1.440 57.556 56.100 0.026 0.000 1.077 18 R CB 0.148 30.469 30.300 0.035 0.000 0.932 18 R HN 0.883 nan 8.270 nan 0.000 0.409 19 N N 1.314 120.007 118.700 -0.012 0.000 2.878 19 N HA -0.229 4.511 4.740 -0.000 0.000 0.247 19 N C -1.328 174.041 175.510 -0.235 0.000 1.021 19 N CA 1.519 54.557 53.050 -0.020 0.000 0.873 19 N CB -1.299 37.063 38.487 -0.209 0.000 1.128 19 N HN 0.411 nan 8.380 nan 0.000 0.571 20 F N 0.325 120.297 119.950 0.038 0.000 2.556 20 F HA 0.356 4.883 4.527 -0.000 0.000 0.314 20 F C 0.813 176.590 175.800 -0.039 0.000 1.106 20 F CA -0.492 57.540 58.000 0.053 0.000 0.911 20 F CB 1.702 40.687 39.000 -0.024 0.000 1.190 20 F HN -0.345 nan 8.300 nan 0.000 0.448 21 T N 1.247 115.948 114.554 0.245 0.000 2.913 21 T HA 0.319 4.669 4.350 -0.000 0.000 0.297 21 T C -0.170 174.453 174.700 -0.128 0.000 1.029 21 T CA -0.066 62.070 62.100 0.059 0.000 1.104 21 T CB 0.629 69.505 68.868 0.012 0.000 0.964 21 T HN 0.499 nan 8.240 nan 0.000 0.532 22 T N 3.622 118.089 114.554 -0.146 0.000 2.864 22 T HA 0.220 4.570 4.350 -0.000 0.000 0.310 22 T C -0.398 174.266 174.700 -0.060 0.000 1.040 22 T CA -0.668 61.370 62.100 -0.103 0.000 0.977 22 T CB 0.085 68.928 68.868 -0.042 0.000 0.976 22 T HN 0.484 nan 8.240 nan 0.000 0.459 23 H N 3.783 122.927 119.070 0.124 0.000 2.899 23 H HA 0.283 4.839 4.556 -0.000 0.000 0.303 23 H C 0.234 175.653 175.328 0.152 0.000 1.042 23 H CA -0.052 56.077 56.048 0.134 0.000 1.479 23 H CB 0.496 30.337 29.762 0.131 0.000 1.493 23 H HN 0.442 nan 8.280 nan 0.000 0.534 24 L N 1.567 122.955 121.223 0.275 0.000 2.358 24 L HA 0.433 4.772 4.340 -0.000 0.000 0.268 24 L C 0.632 177.676 176.870 0.289 0.000 1.032 24 L CA -0.648 54.349 54.840 0.262 0.000 0.805 24 L CB 1.629 43.815 42.059 0.211 0.000 1.253 24 L HN 0.429 nan 8.230 nan 0.000 0.452 25 S N -0.031 115.869 115.700 0.333 0.000 2.548 25 S HA 0.542 5.012 4.470 -0.000 0.000 0.276 25 S C -1.729 173.263 174.600 0.652 0.000 1.129 25 S CA -0.429 58.027 58.200 0.427 0.000 0.931 25 S CB 1.104 64.508 63.200 0.341 0.000 1.068 25 S HN 0.406 nan 8.310 nan 0.000 0.480 26 Y N 2.870 123.433 120.300 0.438 0.000 2.446 26 Y HA 0.628 5.177 4.550 -0.000 0.000 0.345 26 Y C -1.015 174.804 175.900 -0.136 0.000 0.984 26 Y CA -0.850 57.400 58.100 0.249 0.000 1.058 26 Y CB 1.757 40.301 38.460 0.140 0.000 1.220 26 Y HN 0.731 nan 8.280 nan 0.000 0.455 27 D N 7.174 126.639 120.400 -1.559 0.000 2.471 27 D HA 0.425 5.065 4.640 -0.000 0.000 0.245 27 D C -2.350 173.164 176.300 -1.310 0.000 1.116 27 D CA -2.323 50.795 54.000 -1.470 0.000 0.853 27 D CB 2.273 41.859 40.800 -2.023 0.000 1.123 27 D HN 0.258 nan 8.370 nan 0.000 0.540 28 P HA -0.179 nan 4.420 nan 0.000 0.214 28 P C 1.201 178.378 177.300 -0.205 0.000 1.163 28 P CA 1.425 64.375 63.100 -0.250 0.000 0.889 28 P CB 0.169 31.872 31.700 0.005 0.000 0.790 29 T N -0.832 113.594 114.554 -0.213 0.000 2.635 29 T HA -0.186 4.164 4.350 -0.000 0.000 0.267 29 T C 1.716 176.348 174.700 -0.114 0.000 1.040 29 T CA 2.460 64.481 62.100 -0.132 0.000 1.156 29 T CB -1.471 67.322 68.868 -0.126 0.000 0.863 29 T HN 0.344 nan 8.240 nan 0.000 0.430 30 T N -0.901 113.541 114.554 -0.185 0.000 3.107 30 T HA 0.146 4.496 4.350 -0.000 0.000 0.249 30 T C 0.758 175.388 174.700 -0.117 0.000 1.096 30 T CA 0.294 62.333 62.100 -0.103 0.000 1.012 30 T CB -0.594 68.243 68.868 -0.052 0.000 0.977 30 T HN 0.310 nan 8.240 nan 0.000 0.527 31 N N 1.403 119.992 118.700 -0.185 0.000 2.669 31 N HA -0.157 4.583 4.740 -0.000 0.000 0.266 31 N C -0.454 175.075 175.510 0.031 0.000 1.024 31 N CA 0.714 53.748 53.050 -0.028 0.000 0.766 31 N CB -1.353 37.207 38.487 0.122 0.000 0.898 31 N HN 0.972 nan 8.380 nan 0.000 0.548 32 A N 0.689 123.423 122.820 -0.145 0.000 2.566 32 A HA 0.808 5.127 4.320 -0.000 0.000 0.292 32 A C -0.245 177.498 177.584 0.265 0.000 1.112 32 A CA -0.657 51.441 52.037 0.102 0.000 0.707 32 A CB 1.255 20.316 19.000 0.101 0.000 1.302 32 A HN 0.617 nan 8.150 nan 0.000 0.409 33 I N -1.825 119.020 120.570 0.459 0.000 2.740 33 I HA 0.915 5.085 4.170 -0.000 0.000 0.303 33 I C -0.118 176.251 176.117 0.421 0.000 1.044 33 I CA -1.034 60.613 61.300 0.579 0.000 1.064 33 I CB 2.198 40.487 38.000 0.482 0.000 1.249 33 I HN 0.781 nan 8.210 nan 0.000 0.433 34 A N 4.427 127.403 122.820 0.260 0.000 2.350 34 A HA 0.930 5.250 4.320 -0.000 0.000 0.324 34 A C -1.313 176.360 177.584 0.148 0.000 1.118 34 A CA -0.479 51.506 52.037 -0.086 0.000 0.783 34 A CB 1.170 19.813 19.000 -0.595 0.000 1.236 34 A HN 0.976 nan 8.150 nan 0.000 0.457 35 Y N -0.414 119.972 120.300 0.143 0.000 2.641 35 Y HA 0.763 5.313 4.550 -0.000 0.000 0.333 35 Y C -3.376 172.657 175.900 0.221 0.000 1.174 35 Y CA -2.622 55.573 58.100 0.158 0.000 1.057 35 Y CB 1.123 39.659 38.460 0.127 0.000 1.322 35 Y HN 0.473 nan 8.280 nan 0.000 0.457 36 P HA 0.441 nan 4.420 nan 0.000 0.287 36 P C -1.202 176.338 177.300 0.400 0.000 1.270 36 P CA -0.316 62.973 63.100 0.316 0.000 0.844 36 P CB 2.322 34.130 31.700 0.180 0.000 1.068 37 C N 2.478 122.011 119.300 0.388 0.000 2.968 37 C HA 0.609 5.069 4.460 -0.000 0.000 0.389 37 C C 0.802 175.958 174.990 0.277 0.000 1.068 37 C CA 1.143 60.354 59.018 0.321 0.000 1.272 37 C CB -0.490 27.440 27.740 0.316 0.000 1.711 37 C HN 1.024 nan 8.230 nan 0.000 0.501 38 G N 5.868 114.761 108.800 0.156 0.000 2.536 38 G HA2 -0.243 3.716 3.960 -0.000 0.000 0.280 38 G HA3 -0.243 3.716 3.960 -0.000 0.000 0.280 38 G C 0.446 175.392 174.900 0.076 0.000 1.152 38 G CA 0.584 45.756 45.100 0.120 0.000 0.970 38 G HN 0.812 nan 8.290 nan 0.000 0.549 39 K N 0.727 121.159 120.400 0.053 0.000 2.397 39 K HA 0.482 4.802 4.320 -0.000 0.000 0.202 39 K C 0.183 176.737 176.600 -0.077 0.000 1.022 39 K CA 0.430 56.711 56.287 -0.011 0.000 1.141 39 K CB 0.609 33.097 32.500 -0.019 0.000 0.857 39 K HN 0.291 nan 8.250 nan 0.000 0.514 40 S N 0.366 116.022 115.700 -0.074 0.000 2.599 40 S HA 0.665 5.135 4.470 -0.000 0.000 0.294 40 S C -0.972 173.449 174.600 -0.298 0.000 1.094 40 S CA -0.932 57.087 58.200 -0.301 0.000 0.931 40 S CB 2.002 64.882 63.200 -0.534 0.000 1.093 40 S HN 0.245 nan 8.310 nan 0.000 0.488 41 A N 1.535 124.125 122.820 -0.383 0.000 2.324 41 A HA 0.871 5.191 4.320 -0.000 0.000 0.330 41 A C -1.254 176.043 177.584 -0.479 0.000 1.165 41 A CA -0.411 51.533 52.037 -0.154 0.000 0.813 41 A CB 0.179 19.299 19.000 0.201 0.000 1.197 41 A HN 0.594 nan 8.150 nan 0.000 0.484 42 F N 0.549 120.389 119.950 -0.182 0.000 2.577 42 F HA 0.633 5.160 4.527 -0.000 0.000 0.318 42 F C -0.158 175.411 175.800 -0.384 0.000 1.065 42 F CA -0.755 57.045 58.000 -0.334 0.000 0.929 42 F CB 2.602 41.256 39.000 -0.576 0.000 1.237 42 F HN 0.268 nan 8.300 nan 0.000 0.468 43 V N 2.603 122.475 119.914 -0.071 0.000 2.524 43 V HA 0.471 4.591 4.120 -0.000 0.000 0.297 43 V C -0.664 175.406 176.094 -0.040 0.000 1.035 43 V CA -0.804 61.452 62.300 -0.075 0.000 0.867 43 V CB 1.733 33.499 31.823 -0.094 0.000 1.004 43 V HN 0.692 nan 8.190 nan 0.000 0.426 44 R N 2.949 123.481 120.500 0.053 0.000 2.343 44 R HA 0.492 4.832 4.340 -0.000 0.000 0.320 44 R C -0.586 175.780 176.300 0.109 0.000 0.956 44 R CA -0.390 55.760 56.100 0.083 0.000 0.836 44 R CB 1.424 31.839 30.300 0.191 0.000 1.151 44 R HN 0.783 nan 8.270 nan 0.000 0.450 45 C N 6.550 125.865 119.300 0.026 0.000 2.566 45 C HA 0.192 4.652 4.460 -0.000 0.000 0.393 45 C C 1.804 176.845 174.990 0.086 0.000 1.309 45 C CA -0.493 58.546 59.018 0.035 0.000 1.801 45 C CB -0.769 26.945 27.740 -0.044 0.000 2.493 45 C HN 0.917 nan 8.230 nan 0.000 0.575 46 L N 3.538 124.849 121.223 0.147 0.000 2.622 46 L HA 0.089 4.428 4.340 -0.000 0.000 0.233 46 L C 0.526 177.447 176.870 0.085 0.000 1.156 46 L CA 0.590 55.530 54.840 0.167 0.000 0.866 46 L CB -0.614 41.610 42.059 0.274 0.000 0.980 46 L HN 0.654 nan 8.230 nan 0.000 0.448 47 D N 1.088 121.523 120.400 0.059 0.000 2.352 47 D HA 0.031 4.671 4.640 -0.000 0.000 0.245 47 D C 0.634 176.939 176.300 0.008 0.000 1.224 47 D CA -0.063 53.956 54.000 0.032 0.000 0.879 47 D CB 1.386 42.204 40.800 0.031 0.000 1.057 47 D HN 0.198 nan 8.370 nan 0.000 0.491 48 D N 1.423 121.821 120.400 -0.003 0.000 2.077 48 D HA -0.084 4.556 4.640 -0.000 0.000 0.197 48 D C 1.250 177.547 176.300 -0.005 0.000 0.983 48 D CA 0.183 54.174 54.000 -0.015 0.000 0.841 48 D CB -0.924 39.858 40.800 -0.029 0.000 0.992 48 D HN 0.316 nan 8.370 nan 0.000 0.450 49 G N 1.809 110.609 108.800 -0.000 0.000 2.254 49 G HA2 0.112 4.072 3.960 -0.000 0.000 0.253 49 G HA3 0.112 4.072 3.960 -0.000 0.000 0.253 49 G C 0.166 175.076 174.900 0.016 0.000 1.246 49 G CA 0.104 45.208 45.100 0.007 0.000 0.946 49 G HN 0.503 nan 8.290 nan 0.000 0.474 50 D N 1.341 121.753 120.400 0.020 0.000 3.184 50 D HA -0.046 4.593 4.640 -0.000 0.000 0.193 50 D C 0.089 176.416 176.300 0.045 0.000 1.050 50 D CA 1.106 55.127 54.000 0.036 0.000 0.735 50 D CB 0.153 40.976 40.800 0.038 0.000 1.142 50 D HN 0.402 nan 8.370 nan 0.000 0.515 51 S N 1.294 117.033 115.700 0.065 0.000 2.625 51 S HA 0.333 4.803 4.470 -0.000 0.000 0.271 51 S C 0.098 174.776 174.600 0.130 0.000 1.161 51 S CA -1.111 57.134 58.200 0.075 0.000 0.820 51 S CB 1.741 64.973 63.200 0.053 0.000 1.137 51 S HN 0.362 nan 8.310 nan 0.000 0.470 52 K N 0.480 120.965 120.400 0.142 0.000 2.555 52 K HA 0.262 4.582 4.320 -0.000 0.000 0.193 52 K C -0.032 176.753 176.600 0.308 0.000 1.032 52 K CA 0.248 56.671 56.287 0.227 0.000 1.004 52 K CB -0.414 32.187 32.500 0.168 0.000 0.804 52 K HN 0.502 nan 8.250 nan 0.000 0.496 53 V N 4.043 124.047 119.914 0.151 0.000 2.406 53 V HA 0.172 4.292 4.120 -0.000 0.000 0.272 53 V C -2.151 173.776 176.094 -0.279 0.000 1.043 53 V CA -2.069 60.237 62.300 0.010 0.000 0.915 53 V CB 0.974 32.790 31.823 -0.011 0.000 0.988 53 V HN 0.119 nan 8.190 nan 0.000 0.466 54 P HA 0.145 nan 4.420 nan 0.000 0.268 54 P C -2.315 174.638 177.300 -0.578 0.000 1.204 54 P CA -1.240 61.111 63.100 -1.248 0.000 0.768 54 P CB 0.647 31.183 31.700 -1.941 0.000 0.842 55 P HA -0.133 nan 4.420 nan 0.000 0.215 55 P C 0.159 177.341 177.300 -0.196 0.000 1.157 55 P CA 1.444 64.425 63.100 -0.198 0.000 0.874 55 P CB 0.133 31.752 31.700 -0.135 0.000 0.790 56 V N -1.587 118.188 119.914 -0.232 0.000 2.876 56 V HA 0.380 4.500 4.120 -0.000 0.000 0.312 56 V C -0.516 175.438 176.094 -0.233 0.000 1.085 56 V CA -0.782 61.418 62.300 -0.167 0.000 0.945 56 V CB 2.928 34.714 31.823 -0.062 0.000 1.017 56 V HN -0.378 nan 8.190 nan 0.000 0.428 57 V N 3.291 123.088 119.914 -0.195 0.000 2.569 57 V HA 0.514 4.634 4.120 -0.000 0.000 0.301 57 V C -0.615 175.399 176.094 -0.133 0.000 1.044 57 V CA -0.471 61.704 62.300 -0.209 0.000 0.874 57 V CB 1.694 33.288 31.823 -0.383 0.000 1.002 57 V HN 0.936 nan 8.190 nan 0.000 0.424 58 Q N 3.876 123.571 119.800 -0.175 0.000 2.325 58 Q HA 0.548 4.888 4.340 -0.000 0.000 0.270 58 Q C -2.003 173.780 176.000 -0.363 0.000 1.020 58 Q CA -0.635 54.923 55.803 -0.408 0.000 0.785 58 Q CB 2.018 30.544 28.738 -0.354 0.000 1.259 58 Q HN 0.661 nan 8.270 nan 0.000 0.452 59 F N 3.487 123.003 119.950 -0.722 0.000 2.411 59 F HA 0.338 4.865 4.527 -0.000 0.000 0.352 59 F C 0.483 175.929 175.800 -0.590 0.000 1.123 59 F CA -0.433 57.072 58.000 -0.824 0.000 1.044 59 F CB 1.643 39.624 39.000 -1.698 0.000 1.135 59 F HN 0.563 nan 8.300 nan 0.000 0.461 60 T N 0.823 114.757 114.554 -1.033 0.000 3.092 60 T HA 0.180 4.530 4.350 -0.000 0.000 0.258 60 T C 1.785 175.909 174.700 -0.960 0.000 1.031 60 T CA 0.377 62.004 62.100 -0.790 0.000 0.925 60 T CB -0.125 68.477 68.868 -0.444 0.000 1.036 60 T HN 0.685 nan 8.240 nan 0.000 0.544 61 G N 0.881 108.543 108.800 -1.897 0.000 2.537 61 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.220 61 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.220 61 G C 1.251 175.742 174.900 -0.682 0.000 1.111 61 G CA 0.441 44.791 45.100 -1.250 0.000 0.748 61 G HN 0.636 nan 8.290 nan 0.000 0.564 62 H N 0.586 119.366 119.070 -0.482 0.000 2.547 62 H HA 0.141 4.697 4.556 -0.000 0.000 0.266 62 H C 2.243 177.472 175.328 -0.166 0.000 0.988 62 H CA 0.380 56.306 56.048 -0.203 0.000 1.147 62 H CB 0.047 29.735 29.762 -0.123 0.000 1.365 62 H HN 0.403 nan 8.280 nan 0.000 0.589 63 G N 1.424 110.137 108.800 -0.144 0.000 2.692 63 G HA2 -0.460 3.500 3.960 -0.000 0.000 0.339 63 G HA3 -0.460 3.500 3.960 -0.000 0.000 0.339 63 G C 1.512 176.377 174.900 -0.058 0.000 1.226 63 G CA 1.770 46.806 45.100 -0.107 0.000 0.979 63 G HN 0.510 nan 8.290 nan 0.000 0.549 64 S N -0.638 115.042 115.700 -0.034 0.000 2.593 64 S HA 0.518 4.988 4.470 -0.000 0.000 0.217 64 S C 0.986 175.583 174.600 -0.004 0.000 0.966 64 S CA 1.207 59.394 58.200 -0.021 0.000 0.914 64 S CB 0.406 63.594 63.200 -0.020 0.000 0.776 64 S HN 1.086 nan 8.310 nan 0.000 0.523 65 S N 1.803 117.512 115.700 0.015 0.000 2.457 65 S HA 0.482 4.952 4.470 -0.000 0.000 0.289 65 S C -0.041 174.559 174.600 -0.000 0.000 1.163 65 S CA -0.596 57.617 58.200 0.022 0.000 1.078 65 S CB 0.763 63.999 63.200 0.059 0.000 0.987 65 S HN 0.286 nan 8.310 nan 0.000 0.482 66 V N 6.096 126.001 119.914 -0.015 0.000 2.617 66 V HA 0.033 4.153 4.120 -0.000 0.000 0.304 66 V C 0.378 176.424 176.094 -0.080 0.000 1.040 66 V CA -0.110 62.175 62.300 -0.026 0.000 1.149 66 V CB 0.631 32.447 31.823 -0.011 0.000 0.914 66 V HN 0.668 nan 8.190 nan 0.000 0.487 67 V N 5.603 125.453 119.914 -0.106 0.000 2.614 67 V HA 0.153 4.273 4.120 -0.000 0.000 0.291 67 V C 1.302 177.354 176.094 -0.070 0.000 1.049 67 V CA 0.698 62.880 62.300 -0.195 0.000 1.038 67 V CB 1.130 32.863 31.823 -0.150 0.000 0.980 67 V HN 1.129 nan 8.190 nan 0.000 0.481 68 T N -0.373 114.142 114.554 -0.064 0.000 3.000 68 T HA 0.180 4.530 4.350 -0.000 0.000 0.248 68 T C 0.666 175.413 174.700 0.078 0.000 1.034 68 T CA 0.533 62.642 62.100 0.015 0.000 1.060 68 T CB 0.608 69.487 68.868 0.019 0.000 0.983 68 T HN 0.666 nan 8.240 nan 0.000 0.482 69 T N 0.756 115.360 114.554 0.083 0.000 2.942 69 T HA 0.562 4.912 4.350 -0.000 0.000 0.327 69 T C -2.271 172.520 174.700 0.152 0.000 1.360 69 T CA -0.537 61.651 62.100 0.146 0.000 1.055 69 T CB 1.938 70.909 68.868 0.172 0.000 1.261 69 T HN 0.102 nan 8.240 nan 0.000 0.485 70 V N 5.228 125.242 119.914 0.166 0.000 2.577 70 V HA 0.713 4.833 4.120 -0.000 0.000 0.303 70 V C -0.822 175.328 176.094 0.093 0.000 1.042 70 V CA -0.964 61.425 62.300 0.147 0.000 0.872 70 V CB 1.951 33.850 31.823 0.126 0.000 0.998 70 V HN 0.710 nan 8.190 nan 0.000 0.423 71 K N 3.615 124.085 120.400 0.117 0.000 2.397 71 K HA 0.598 4.917 4.320 -0.000 0.000 0.253 71 K C -0.988 175.761 176.600 0.247 0.000 0.932 71 K CA -0.464 55.953 56.287 0.216 0.000 0.795 71 K CB 2.480 35.199 32.500 0.365 0.000 1.159 71 K HN 0.472 nan 8.250 nan 0.000 0.424 72 F N 0.786 120.824 119.950 0.146 0.000 2.418 72 F HA 0.081 4.608 4.527 -0.000 0.000 0.341 72 F C 1.660 177.217 175.800 -0.404 0.000 1.120 72 F CA 0.154 58.114 58.000 -0.066 0.000 1.232 72 F CB 1.025 39.974 39.000 -0.084 0.000 1.175 72 F HN 0.357 nan 8.300 nan 0.000 0.569 73 S N 3.177 118.553 115.700 -0.540 0.000 2.580 73 S HA 0.227 4.697 4.470 -0.000 0.000 0.274 73 S C -1.640 172.580 174.600 -0.633 0.000 1.329 73 S CA -1.290 56.090 58.200 -1.367 0.000 1.036 73 S CB 1.068 63.534 63.200 -1.224 0.000 0.919 73 S HN 0.363 nan 8.310 nan 0.000 0.515 74 P HA 0.097 nan 4.420 nan 0.000 0.225 74 P C -0.085 177.089 177.300 -0.210 0.000 1.156 74 P CA 0.308 63.262 63.100 -0.244 0.000 0.787 74 P CB -0.056 31.569 31.700 -0.125 0.000 0.802 75 I N 1.609 122.012 120.570 -0.278 0.000 2.578 75 I HA -0.024 4.146 4.170 -0.000 0.000 0.286 75 I C 0.863 176.884 176.117 -0.160 0.000 1.126 75 I CA -0.477 60.705 61.300 -0.197 0.000 1.380 75 I CB -0.963 36.908 38.000 -0.214 0.000 1.408 75 I HN -0.003 nan 8.210 nan 0.000 0.532 76 K N 5.309 125.637 120.400 -0.120 0.000 2.504 76 K HA 0.039 4.359 4.320 -0.000 0.000 0.278 76 K C 1.242 177.780 176.600 -0.105 0.000 1.025 76 K CA 0.755 56.978 56.287 -0.108 0.000 1.093 76 K CB 0.055 32.510 32.500 -0.076 0.000 0.873 76 K HN 0.942 nan 8.250 nan 0.000 0.483 77 G N 1.801 110.536 108.800 -0.109 0.000 2.189 77 G HA2 -0.394 3.566 3.960 -0.000 0.000 0.267 77 G HA3 -0.394 3.566 3.960 -0.000 0.000 0.267 77 G C 1.049 175.847 174.900 -0.169 0.000 0.975 77 G CA 0.942 45.973 45.100 -0.115 0.000 0.644 77 G HN 0.695 nan 8.290 nan 0.000 0.537 78 S N -0.290 115.314 115.700 -0.160 0.000 2.469 78 S HA -0.064 4.406 4.470 -0.000 0.000 0.238 78 S C 1.381 175.770 174.600 -0.352 0.000 0.998 78 S CA 1.656 59.746 58.200 -0.182 0.000 0.957 78 S CB -0.330 62.825 63.200 -0.075 0.000 0.764 78 S HN 1.131 nan 8.310 nan 0.000 0.514 79 Q N -0.369 119.261 119.800 -0.284 0.000 2.437 79 Q HA -0.215 4.125 4.340 -0.000 0.000 0.274 79 Q C -1.047 174.730 176.000 -0.371 0.000 1.165 79 Q CA 0.888 56.453 55.803 -0.397 0.000 0.925 79 Q CB -1.837 26.278 28.738 -1.038 0.000 1.327 79 Q HN 0.802 nan 8.270 nan 0.000 0.505 80 Y N -0.905 119.297 120.300 -0.164 0.000 2.487 80 Y HA 0.695 5.245 4.550 -0.000 0.000 0.337 80 Y C 0.219 175.963 175.900 -0.260 0.000 1.076 80 Y CA -1.243 56.747 58.100 -0.183 0.000 1.115 80 Y CB 1.223 39.621 38.460 -0.102 0.000 1.235 80 Y HN 0.004 nan 8.280 nan 0.000 0.468 81 L N 1.700 122.767 121.223 -0.260 0.000 2.479 81 L HA 0.623 4.963 4.340 -0.000 0.000 0.255 81 L C -1.493 175.196 176.870 -0.302 0.000 1.026 81 L CA -0.550 54.051 54.840 -0.399 0.000 0.842 81 L CB 2.322 43.765 42.059 -1.028 0.000 1.444 81 L HN 0.688 nan 8.230 nan 0.000 0.409 82 C N 0.903 120.222 119.300 0.032 0.000 2.481 82 C HA 0.895 5.355 4.460 -0.000 0.000 0.324 82 C C -0.669 174.418 174.990 0.162 0.000 1.170 82 C CA -0.252 58.789 59.018 0.040 0.000 1.361 82 C CB 0.606 28.226 27.740 -0.200 0.000 1.977 82 C HN 0.847 nan 8.230 nan 0.000 0.459 83 S N 4.039 119.955 115.700 0.361 0.000 2.570 83 S HA 0.951 5.421 4.470 -0.000 0.000 0.286 83 S C -0.352 174.466 174.600 0.363 0.000 1.099 83 S CA -0.331 58.111 58.200 0.403 0.000 0.913 83 S CB 1.746 65.328 63.200 0.636 0.000 1.085 83 S HN 1.456 nan 8.310 nan 0.000 0.480 84 G N 0.224 109.115 108.800 0.152 0.000 2.600 84 G HA2 0.734 4.693 3.960 -0.000 0.000 0.303 84 G HA3 0.734 4.693 3.960 -0.000 0.000 0.303 84 G C -1.713 173.110 174.900 -0.128 0.000 1.253 84 G CA -0.808 44.355 45.100 0.107 0.000 0.974 84 G HN 0.899 nan 8.290 nan 0.000 0.483 85 D N -2.249 118.117 120.400 -0.056 0.000 2.592 85 D HA 0.290 4.930 4.640 -0.000 0.000 0.263 85 D C 0.573 176.865 176.300 -0.013 0.000 1.132 85 D CA -0.769 53.164 54.000 -0.111 0.000 0.996 85 D CB 1.238 41.988 40.800 -0.083 0.000 1.442 85 D HN 0.366 nan 8.370 nan 0.000 0.486 86 E N -0.471 119.718 120.200 -0.020 0.000 2.265 86 E HA -0.145 4.205 4.350 -0.000 0.000 0.196 86 E C 1.341 177.944 176.600 0.006 0.000 0.996 86 E CA 1.308 57.703 56.400 -0.008 0.000 0.832 86 E CB -0.158 29.532 29.700 -0.017 0.000 0.756 86 E HN 0.518 nan 8.360 nan 0.000 0.491 87 S N -0.335 115.378 115.700 0.022 0.000 2.607 87 S HA 0.094 4.564 4.470 -0.000 0.000 0.224 87 S C 1.612 176.230 174.600 0.030 0.000 0.969 87 S CA 0.365 58.580 58.200 0.026 0.000 0.927 87 S CB 0.142 63.364 63.200 0.037 0.000 0.772 87 S HN 0.383 nan 8.310 nan 0.000 0.533 88 G N 0.823 109.644 108.800 0.036 0.000 2.132 88 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.234 88 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.234 88 G C -0.154 174.784 174.900 0.064 0.000 0.989 88 G CA 0.270 45.391 45.100 0.034 0.000 0.676 88 G HN 0.693 nan 8.290 nan 0.000 0.522 89 K N 0.338 120.799 120.400 0.102 0.000 2.138 89 K HA 0.678 4.998 4.320 -0.000 0.000 0.263 89 K C -0.340 176.381 176.600 0.200 0.000 0.965 89 K CA -0.585 55.781 56.287 0.132 0.000 0.868 89 K CB 1.716 34.286 32.500 0.117 0.000 1.083 89 K HN 0.039 nan 8.250 nan 0.000 0.443 90 V N 5.432 125.453 119.914 0.178 0.000 2.628 90 V HA 0.527 4.647 4.120 -0.000 0.000 0.306 90 V C -0.299 175.882 176.094 0.146 0.000 1.045 90 V CA -0.835 61.585 62.300 0.201 0.000 0.905 90 V CB 1.717 33.633 31.823 0.155 0.000 0.997 90 V HN 0.675 nan 8.190 nan 0.000 0.436 91 I N 3.738 124.428 120.570 0.200 0.000 2.569 91 I HA 0.451 4.621 4.170 -0.000 0.000 0.290 91 I C -0.908 175.334 176.117 0.208 0.000 1.088 91 I CA -0.885 60.501 61.300 0.143 0.000 1.047 91 I CB 2.324 40.413 38.000 0.148 0.000 1.237 91 I HN 0.232 nan 8.210 nan 0.000 0.421 92 V N 6.019 125.981 119.914 0.081 0.000 2.350 92 V HA 0.420 4.540 4.120 -0.000 0.000 0.276 92 V C -0.556 175.603 176.094 0.108 0.000 1.028 92 V CA -0.298 62.040 62.300 0.063 0.000 0.860 92 V CB 0.728 32.596 31.823 0.074 0.000 0.990 92 V HN 0.704 nan 8.190 nan 0.000 0.453 93 W N 3.033 124.312 121.300 -0.036 0.000 2.975 93 W HA 0.906 5.566 4.660 -0.000 0.000 0.342 93 W C -0.230 176.374 176.519 0.141 0.000 1.168 93 W CA -1.504 55.769 57.345 -0.120 0.000 1.141 93 W CB 2.006 31.018 29.460 -0.746 0.000 1.445 93 W HN 0.720 nan 8.180 nan 0.000 0.560 94 G N 1.056 110.073 108.800 0.362 0.000 2.620 94 G HA2 0.644 4.604 3.960 -0.000 0.000 0.301 94 G HA3 0.644 4.604 3.960 -0.000 0.000 0.301 94 G C -1.209 173.831 174.900 0.235 0.000 1.347 94 G CA -0.887 44.292 45.100 0.131 0.000 0.971 94 G HN 0.707 nan 8.290 nan 0.000 0.488 95 W N 0.346 121.710 121.300 0.107 0.000 2.481 95 W HA 0.860 5.520 4.660 -0.000 0.000 0.369 95 W C -1.174 175.383 176.519 0.064 0.000 1.235 95 W CA -1.047 56.384 57.345 0.143 0.000 1.344 95 W CB 0.821 30.398 29.460 0.194 0.000 1.360 95 W HN 0.532 nan 8.180 nan 0.000 0.658 96 T N 1.384 116.162 114.554 0.372 0.000 2.923 96 T HA 0.501 4.851 4.350 -0.000 0.000 0.311 96 T C -1.988 173.067 174.700 0.592 0.000 1.183 96 T CA -0.288 61.925 62.100 0.189 0.000 1.020 96 T CB 2.086 71.003 68.868 0.083 0.000 1.165 96 T HN 0.330 nan 8.240 nan 0.000 0.482 97 F N 1.727 121.858 119.950 0.302 0.000 2.603 97 F HA 0.689 5.216 4.527 -0.000 0.000 0.317 97 F C -1.188 174.699 175.800 0.144 0.000 1.066 97 F CA -1.411 56.771 58.000 0.302 0.000 0.941 97 F CB 1.962 41.240 39.000 0.463 0.000 1.291 97 F HN 0.420 nan 8.300 nan 0.000 0.472 98 D N 3.780 123.801 120.400 -0.632 0.000 2.429 98 D HA 0.120 4.759 4.640 -0.000 0.000 0.255 98 D C 0.593 176.345 176.300 -0.915 0.000 1.257 98 D CA -0.081 53.577 54.000 -0.570 0.000 0.890 98 D CB 1.030 41.693 40.800 -0.229 0.000 1.267 98 D HN 0.707 nan 8.370 nan 0.000 0.521 99 K N 1.205 120.972 120.400 -1.056 0.000 2.304 99 K HA -0.260 4.060 4.320 -0.000 0.000 0.204 99 K C 1.390 177.801 176.600 -0.314 0.000 1.044 99 K CA 1.508 57.400 56.287 -0.659 0.000 0.932 99 K CB 0.437 32.792 32.500 -0.243 0.000 0.735 99 K HN 0.326 nan 8.250 nan 0.000 0.468 100 E N 0.018 120.061 120.200 -0.263 0.000 2.011 100 E HA -0.075 4.275 4.350 -0.000 0.000 0.191 100 E C 1.550 178.081 176.600 -0.114 0.000 0.979 100 E CA 2.115 58.430 56.400 -0.141 0.000 0.822 100 E CB -0.194 29.442 29.700 -0.108 0.000 0.782 100 E HN 0.175 nan 8.360 nan 0.000 0.459 101 S N 0.662 116.292 115.700 -0.118 0.000 2.474 101 S HA -0.120 4.350 4.470 -0.000 0.000 0.235 101 S C 0.716 175.279 174.600 -0.061 0.000 0.997 101 S CA 0.800 58.960 58.200 -0.067 0.000 0.949 101 S CB -0.637 62.534 63.200 -0.049 0.000 0.766 101 S HN 0.543 nan 8.310 nan 0.000 0.517 102 N N 1.498 120.115 118.700 -0.138 0.000 2.738 102 N HA -0.190 4.550 4.740 -0.000 0.000 0.249 102 N C -0.591 174.965 175.510 0.077 0.000 1.047 102 N CA 0.797 53.815 53.050 -0.054 0.000 0.707 102 N CB -1.689 36.809 38.487 0.019 0.000 0.937 102 N HN 0.643 nan 8.380 nan 0.000 0.545 103 S N -1.470 114.251 115.700 0.035 0.000 2.482 103 S HA 0.759 5.229 4.470 -0.000 0.000 0.303 103 S C -0.325 174.437 174.600 0.269 0.000 1.091 103 S CA -0.544 57.731 58.200 0.126 0.000 1.057 103 S CB 2.397 65.633 63.200 0.060 0.000 1.031 103 S HN 0.185 nan 8.310 nan 0.000 0.485 104 V N 3.327 123.404 119.914 0.271 0.000 2.417 104 V HA 0.480 4.600 4.120 -0.000 0.000 0.291 104 V C -0.096 176.133 176.094 0.224 0.000 1.024 104 V CA -0.537 61.956 62.300 0.322 0.000 0.861 104 V CB 1.372 33.319 31.823 0.206 0.000 0.985 104 V HN 0.978 nan 8.190 nan 0.000 0.436 105 E N 2.974 123.327 120.200 0.256 0.000 2.214 105 E HA 0.699 5.049 4.350 -0.000 0.000 0.274 105 E C -1.431 175.318 176.600 0.250 0.000 0.977 105 E CA -0.614 55.902 56.400 0.193 0.000 0.827 105 E CB 2.536 32.324 29.700 0.145 0.000 1.130 105 E HN 0.427 nan 8.360 nan 0.000 0.394 106 V N 3.420 123.460 119.914 0.210 0.000 2.569 106 V HA 0.314 4.433 4.120 -0.000 0.000 0.301 106 V C -0.768 175.456 176.094 0.217 0.000 1.044 106 V CA -1.006 61.455 62.300 0.268 0.000 0.874 106 V CB 1.698 33.682 31.823 0.268 0.000 1.002 106 V HN 0.607 nan 8.190 nan 0.000 0.424 107 N N 3.074 121.901 118.700 0.212 0.000 2.354 107 N HA 0.497 5.237 4.740 -0.000 0.000 0.287 107 N C -0.543 175.077 175.510 0.183 0.000 1.016 107 N CA -0.413 52.735 53.050 0.164 0.000 0.871 107 N CB 2.665 41.219 38.487 0.112 0.000 1.299 107 N HN 0.369 nan 8.380 nan 0.000 0.482 108 V N 2.127 122.139 119.914 0.162 0.000 2.843 108 V HA 0.041 4.161 4.120 -0.000 0.000 0.305 108 V C 1.579 177.721 176.094 0.080 0.000 1.065 108 V CA 0.445 62.826 62.300 0.136 0.000 1.116 108 V CB 1.380 33.271 31.823 0.113 0.000 0.968 108 V HN 0.765 nan 8.190 nan 0.000 0.487 109 K N 0.930 121.356 120.400 0.044 0.000 2.424 109 K HA 0.245 4.565 4.320 -0.000 0.000 0.198 109 K C -0.055 176.447 176.600 -0.164 0.000 1.190 109 K CA 0.423 56.686 56.287 -0.040 0.000 0.935 109 K CB 0.767 33.243 32.500 -0.039 0.000 1.087 109 K HN 0.841 nan 8.250 nan 0.000 0.524 110 S N 0.770 116.350 115.700 -0.200 0.000 2.543 110 S HA 0.252 4.722 4.470 -0.000 0.000 0.274 110 S C -1.829 172.468 174.600 -0.505 0.000 1.149 110 S CA -1.190 56.763 58.200 -0.412 0.000 0.866 110 S CB 1.662 64.589 63.200 -0.455 0.000 1.111 110 S HN 0.279 nan 8.310 nan 0.000 0.457 111 E N 0.944 120.681 120.200 -0.771 0.000 2.292 111 E HA 0.749 5.099 4.350 -0.000 0.000 0.272 111 E C -1.759 174.353 176.600 -0.813 0.000 0.881 111 E CA -0.953 55.098 56.400 -0.581 0.000 0.754 111 E CB 1.752 31.296 29.700 -0.261 0.000 1.201 111 E HN 0.497 nan 8.360 nan 0.000 0.425 112 F N 0.677 120.624 119.950 -0.005 0.000 2.581 112 F HA 0.222 4.749 4.527 -0.000 0.000 0.311 112 F C -0.254 175.546 175.800 -0.000 0.000 1.113 112 F CA -1.154 56.840 58.000 -0.011 0.000 0.935 112 F CB 2.545 41.531 39.000 -0.023 0.000 1.232 112 F HN 0.373 nan 8.300 nan 0.000 0.445 113 Q N 2.408 122.319 119.800 0.185 0.000 2.472 113 Q HA 0.290 4.630 4.340 -0.000 0.000 0.227 113 Q C 0.185 176.238 176.000 0.089 0.000 1.156 113 Q CA -0.265 55.600 55.803 0.103 0.000 0.924 113 Q CB 1.108 29.885 28.738 0.066 0.000 1.354 113 Q HN 0.677 nan 8.270 nan 0.000 0.525 114 V N 1.747 121.707 119.914 0.077 0.000 2.992 114 V HA 0.350 4.470 4.120 -0.000 0.000 0.250 114 V C 0.470 176.563 176.094 -0.002 0.000 1.090 114 V CA 0.484 62.800 62.300 0.028 0.000 1.101 114 V CB -0.141 31.688 31.823 0.010 0.000 0.743 114 V HN 0.474 nan 8.190 nan 0.000 0.468 115 L N -0.403 120.818 121.223 -0.002 0.000 2.354 115 L HA 0.758 5.098 4.340 -0.000 0.000 0.264 115 L C 1.381 178.232 176.870 -0.031 0.000 1.008 115 L CA -0.226 54.595 54.840 -0.032 0.000 0.819 115 L CB 1.830 43.864 42.059 -0.041 0.000 1.339 115 L HN 0.069 nan 8.230 nan 0.000 0.420 116 A N 1.687 124.471 122.820 -0.060 0.000 1.897 116 A HA 0.171 4.491 4.320 -0.000 0.000 0.215 116 A C 1.079 178.636 177.584 -0.045 0.000 1.181 116 A CA 1.390 53.397 52.037 -0.051 0.000 0.620 116 A CB -0.470 18.486 19.000 -0.074 0.000 0.821 116 A HN 0.815 nan 8.150 nan 0.000 0.443 117 G N -0.934 107.826 108.800 -0.066 0.000 2.641 117 G HA2 0.502 4.462 3.960 -0.000 0.000 0.239 117 G HA3 0.502 4.462 3.960 -0.000 0.000 0.239 117 G C -2.752 172.135 174.900 -0.022 0.000 1.402 117 G CA -1.169 43.905 45.100 -0.043 0.000 1.046 117 G HN 0.224 nan 8.290 nan 0.000 0.565 118 P HA 0.285 nan 4.420 nan 0.000 0.279 118 P C -0.475 176.834 177.300 0.016 0.000 1.239 118 P CA -0.084 63.017 63.100 0.003 0.000 0.789 118 P CB 1.512 33.211 31.700 -0.002 0.000 0.933 119 I N 2.354 122.937 120.570 0.021 0.000 2.474 119 I HA -0.001 4.169 4.170 -0.000 0.000 0.287 119 I C 1.787 177.938 176.117 0.057 0.000 1.048 119 I CA 0.265 61.583 61.300 0.030 0.000 1.383 119 I CB 1.096 39.114 38.000 0.029 0.000 1.412 119 I HN 0.445 nan 8.210 nan 0.000 0.531 120 S N 2.727 118.475 115.700 0.079 0.000 2.502 120 S HA 0.170 4.640 4.470 -0.000 0.000 0.228 120 S C 0.215 174.933 174.600 0.197 0.000 1.061 120 S CA -0.096 58.192 58.200 0.146 0.000 0.935 120 S CB 0.401 63.703 63.200 0.169 0.000 0.809 120 S HN 0.697 nan 8.310 nan 0.000 0.510 121 D N -0.611 119.839 120.400 0.083 0.000 2.609 121 D HA 0.613 5.253 4.640 -0.000 0.000 0.239 121 D C -1.658 174.615 176.300 -0.045 0.000 1.229 121 D CA -0.566 53.436 54.000 0.004 0.000 0.808 121 D CB 1.890 42.595 40.800 -0.159 0.000 1.448 121 D HN 0.259 nan 8.370 nan 0.000 0.433 122 I N 0.632 121.173 120.570 -0.048 0.000 2.865 122 I HA 0.533 4.703 4.170 -0.000 0.000 0.302 122 I C -0.779 175.313 176.117 -0.042 0.000 1.140 122 I CA -0.821 60.430 61.300 -0.083 0.000 1.021 122 I CB 2.231 40.183 38.000 -0.081 0.000 1.233 122 I HN 0.252 nan 8.210 nan 0.000 0.427 123 S N 3.258 118.906 115.700 -0.086 0.000 2.543 123 S HA 0.590 5.060 4.470 -0.000 0.000 0.271 123 S C -1.945 172.653 174.600 -0.004 0.000 1.148 123 S CA -0.523 57.710 58.200 0.056 0.000 0.914 123 S CB 0.957 64.217 63.200 0.099 0.000 1.096 123 S HN 0.463 nan 8.310 nan 0.000 0.471 124 W N 2.595 123.893 121.300 -0.002 0.000 2.485 124 W HA 0.491 5.151 4.660 -0.000 0.000 0.364 124 W C 0.351 176.823 176.519 -0.078 0.000 1.171 124 W CA -0.219 57.093 57.345 -0.054 0.000 1.304 124 W CB 0.508 29.936 29.460 -0.054 0.000 1.335 124 W HN 0.738 nan 8.180 nan 0.000 0.643 125 D N -0.117 120.382 120.400 0.166 0.000 2.432 125 D HA 0.112 4.752 4.640 -0.000 0.000 0.258 125 D C 0.691 177.019 176.300 0.046 0.000 1.146 125 D CA -0.716 53.314 54.000 0.049 0.000 1.015 125 D CB 0.112 40.892 40.800 -0.033 0.000 1.107 125 D HN 0.407 nan 8.370 nan 0.000 0.529 126 F N -1.332 118.593 119.950 -0.041 0.000 2.604 126 F HA 0.135 4.662 4.527 -0.000 0.000 0.298 126 F C 1.331 177.077 175.800 -0.090 0.000 1.131 126 F CA 0.366 58.328 58.000 -0.064 0.000 1.457 126 F CB -0.360 38.599 39.000 -0.069 0.000 1.095 126 F HN 0.203 nan 8.300 nan 0.000 0.574 127 E N 0.891 120.685 120.200 -0.677 0.000 2.442 127 E HA 0.124 4.474 4.350 -0.000 0.000 0.195 127 E C 1.633 177.991 176.600 -0.403 0.000 1.030 127 E CA 0.471 56.535 56.400 -0.558 0.000 0.869 127 E CB -0.107 29.223 29.700 -0.618 0.000 0.857 127 E HN 0.575 nan 8.360 nan 0.000 0.505 128 G N 2.343 110.950 108.800 -0.321 0.000 2.246 128 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.273 128 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.273 128 G C 0.651 175.212 174.900 -0.565 0.000 1.055 128 G CA 0.711 45.581 45.100 -0.382 0.000 0.851 128 G HN 0.289 nan 8.290 nan 0.000 0.500 129 R N -1.531 118.725 120.500 -0.407 0.000 2.556 129 R HA 0.212 4.552 4.340 -0.000 0.000 0.276 129 R C 0.983 177.227 176.300 -0.092 0.000 0.931 129 R CA -0.144 55.594 56.100 -0.604 0.000 1.061 129 R CB 0.870 30.953 30.300 -0.362 0.000 1.432 129 R HN 0.361 nan 8.270 nan 0.000 0.547 130 R N 0.704 121.193 120.500 -0.018 0.000 2.740 130 R HA 0.580 4.920 4.340 -0.000 0.000 0.282 130 R C -1.129 175.141 176.300 -0.049 0.000 0.969 130 R CA -0.651 55.464 56.100 0.024 0.000 0.918 130 R CB 2.086 32.421 30.300 0.058 0.000 1.175 130 R HN -0.140 nan 8.270 nan 0.000 0.464 131 L N 1.280 122.438 121.223 -0.108 0.000 2.408 131 L HA 0.521 4.861 4.340 -0.000 0.000 0.268 131 L C -0.769 175.961 176.870 -0.234 0.000 0.986 131 L CA -1.060 53.636 54.840 -0.240 0.000 0.820 131 L CB 2.278 44.138 42.059 -0.333 0.000 1.303 131 L HN 0.703 nan 8.230 nan 0.000 0.411 132 c N 4.271 122.690 118.600 -0.302 0.000 2.264 132 c HA 0.788 5.357 4.570 -0.000 0.000 0.324 132 c C -0.081 173.778 174.090 -0.386 0.000 1.267 132 c CA -0.362 55.673 56.329 -0.490 0.000 1.618 132 c CB 0.305 42.514 42.510 -0.502 0.000 2.278 132 c HN 0.568 nan 8.230 nan 0.000 0.499 133 V N 6.306 125.992 119.914 -0.381 0.000 2.667 133 V HA 0.835 4.955 4.120 -0.000 0.000 0.308 133 V C -0.027 175.924 176.094 -0.239 0.000 1.048 133 V CA -0.291 61.867 62.300 -0.238 0.000 0.928 133 V CB 1.761 33.488 31.823 -0.160 0.000 1.004 133 V HN 0.851 nan 8.190 nan 0.000 0.444 134 V N 1.887 121.714 119.914 -0.145 0.000 3.216 134 V HA 1.008 5.128 4.120 -0.000 0.000 0.302 134 V C 0.341 176.423 176.094 -0.020 0.000 1.286 134 V CA 0.609 62.846 62.300 -0.106 0.000 1.048 134 V CB 2.270 34.007 31.823 -0.144 0.000 1.081 134 V HN 1.158 nan 8.190 nan 0.000 0.442 135 G N 2.046 110.862 108.800 0.028 0.000 2.520 135 G HA2 0.252 4.212 3.960 -0.000 0.000 0.067 135 G HA3 0.252 4.212 3.960 -0.000 0.000 0.067 135 G C -1.007 173.972 174.900 0.132 0.000 0.977 135 G CA 0.283 45.427 45.100 0.074 0.000 1.152 135 G HN 0.772 nan 8.290 nan 0.000 0.479 136 E N -0.681 119.544 120.200 0.043 0.000 2.340 136 E HA 0.609 4.959 4.350 -0.000 0.000 0.273 136 E C -0.250 176.192 176.600 -0.263 0.000 0.891 136 E CA -0.227 56.137 56.400 -0.061 0.000 0.757 136 E CB 2.057 31.790 29.700 0.055 0.000 1.231 136 E HN 1.118 nan 8.360 nan 0.000 0.439 137 G N 1.636 110.068 108.800 -0.614 0.000 2.706 137 G HA2 0.137 4.097 3.960 -0.000 0.000 0.307 137 G HA3 0.137 4.097 3.960 -0.000 0.000 0.307 137 G C -0.303 174.290 174.900 -0.512 0.000 1.307 137 G CA -0.381 44.455 45.100 -0.439 0.000 0.790 137 G HN 0.364 nan 8.290 nan 0.000 0.503 138 R N -0.236 120.094 120.500 -0.283 0.000 2.046 138 R HA 0.049 4.389 4.340 -0.000 0.000 0.223 138 R C 1.919 178.134 176.300 -0.143 0.000 1.179 138 R CA 2.394 58.396 56.100 -0.164 0.000 0.952 138 R CB -0.664 29.593 30.300 -0.072 0.000 0.843 138 R HN 0.606 nan 8.270 nan 0.000 0.439 139 D N -1.338 119.007 120.400 -0.091 0.000 2.324 139 D HA 0.041 4.681 4.640 -0.000 0.000 0.212 139 D C 0.120 176.445 176.300 0.042 0.000 0.984 139 D CA 0.181 54.190 54.000 0.015 0.000 0.885 139 D CB -0.045 40.773 40.800 0.029 0.000 0.996 139 D HN 0.098 nan 8.370 nan 0.000 0.505 140 N N -0.775 117.883 118.700 -0.070 0.000 2.400 140 N HA 0.311 5.051 4.740 -0.000 0.000 0.288 140 N C -0.936 174.482 175.510 -0.153 0.000 1.024 140 N CA -0.578 52.469 53.050 -0.005 0.000 0.894 140 N CB 1.192 39.678 38.487 -0.003 0.000 1.173 140 N HN -0.139 nan 8.380 nan 0.000 0.487 141 F N 1.016 120.989 119.950 0.039 0.000 2.654 141 F HA 0.445 4.972 4.527 -0.000 0.000 0.303 141 F C 1.098 176.872 175.800 -0.043 0.000 1.099 141 F CA -0.283 57.724 58.000 0.013 0.000 1.270 141 F CB 0.910 39.932 39.000 0.037 0.000 1.024 141 F HN 0.507 nan 8.300 nan 0.000 0.548 142 G N -0.219 108.622 108.800 0.067 0.000 2.328 142 G HA2 0.456 4.416 3.960 -0.000 0.000 0.299 142 G HA3 0.456 4.416 3.960 -0.000 0.000 0.299 142 G C -1.900 172.931 174.900 -0.114 0.000 1.435 142 G CA -0.281 44.777 45.100 -0.069 0.000 0.865 142 G HN 0.320 nan 8.290 nan 0.000 0.601 143 V N -2.808 116.953 119.914 -0.256 0.000 3.206 143 V HA 0.924 5.044 4.120 -0.000 0.000 0.305 143 V C -1.356 174.475 176.094 -0.439 0.000 1.257 143 V CA -1.489 60.678 62.300 -0.221 0.000 1.057 143 V CB 1.951 33.712 31.823 -0.104 0.000 1.075 143 V HN 0.966 nan 8.190 nan 0.000 0.443 144 F N 2.981 122.871 119.950 -0.101 0.000 2.496 144 F HA 0.845 5.372 4.527 -0.000 0.000 0.341 144 F C -0.007 175.731 175.800 -0.103 0.000 1.134 144 F CA -0.518 57.398 58.000 -0.141 0.000 0.968 144 F CB 1.828 40.774 39.000 -0.090 0.000 1.205 144 F HN 0.765 nan 8.300 nan 0.000 0.436 145 I N -1.353 119.221 120.570 0.007 0.000 2.994 145 I HA 0.661 4.831 4.170 -0.000 0.000 0.306 145 I C -0.806 175.284 176.117 -0.046 0.000 1.195 145 I CA -0.919 60.337 61.300 -0.073 0.000 1.001 145 I CB 2.224 40.070 38.000 -0.256 0.000 1.244 145 I HN 0.216 nan 8.210 nan 0.000 0.437 146 S N 3.163 118.840 115.700 -0.039 0.000 2.565 146 S HA 0.093 4.563 4.470 -0.000 0.000 0.276 146 S C 0.755 175.436 174.600 0.135 0.000 1.326 146 S CA -0.585 57.670 58.200 0.091 0.000 1.045 146 S CB 0.668 63.920 63.200 0.085 0.000 0.918 146 S HN 0.907 nan 8.310 nan 0.000 0.505 147 W N 4.338 125.617 121.300 -0.035 0.000 2.374 147 W HA -0.120 4.540 4.660 -0.000 0.000 0.288 147 W C 0.724 177.328 176.519 0.142 0.000 1.218 147 W CA 1.841 59.194 57.345 0.013 0.000 1.245 147 W CB -1.059 28.403 29.460 0.003 0.000 1.126 147 W HN 0.786 nan 8.180 nan 0.000 0.545 148 D N 0.844 120.970 120.400 -0.456 0.000 2.262 148 D HA -0.105 4.535 4.640 -0.000 0.000 0.212 148 D C 2.055 178.338 176.300 -0.028 0.000 0.964 148 D CA 2.057 55.746 54.000 -0.517 0.000 0.875 148 D CB -0.704 39.630 40.800 -0.777 0.000 0.996 148 D HN 0.258 nan 8.370 nan 0.000 0.497 149 S N -0.578 115.133 115.700 0.018 0.000 2.384 149 S HA 0.362 4.832 4.470 -0.000 0.000 0.217 149 S C 1.973 176.556 174.600 -0.028 0.000 1.041 149 S CA 1.059 59.289 58.200 0.051 0.000 0.948 149 S CB -0.146 63.047 63.200 -0.011 0.000 0.872 149 S HN 0.667 nan 8.310 nan 0.000 0.512 150 G N 1.432 110.002 108.800 -0.384 0.000 2.168 150 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.197 150 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.197 150 G C -0.411 174.213 174.900 -0.460 0.000 0.997 150 G CA -0.196 44.288 45.100 -1.027 0.000 0.658 150 G HN 0.512 nan 8.290 nan 0.000 0.513 151 N N 1.095 119.665 118.700 -0.217 0.000 2.513 151 N HA 0.373 5.113 4.740 -0.000 0.000 0.268 151 N C 0.550 176.014 175.510 -0.077 0.000 1.180 151 N CA 0.587 53.571 53.050 -0.110 0.000 0.948 151 N CB 1.439 39.896 38.487 -0.049 0.000 1.083 151 N HN 0.292 nan 8.380 nan 0.000 0.455 152 S N 1.571 117.247 115.700 -0.040 0.000 2.546 152 S HA 0.048 4.518 4.470 -0.000 0.000 0.290 152 S C 0.954 175.585 174.600 0.051 0.000 1.290 152 S CA -0.190 58.021 58.200 0.018 0.000 1.069 152 S CB -0.072 63.151 63.200 0.039 0.000 0.846 152 S HN 0.441 nan 8.310 nan 0.000 0.495 153 L N 5.040 126.329 121.223 0.110 0.000 3.014 153 L HA 0.461 4.801 4.340 -0.000 0.000 0.263 153 L C 0.973 177.930 176.870 0.146 0.000 1.207 153 L CA -0.069 54.846 54.840 0.124 0.000 1.017 153 L CB -0.293 41.871 42.059 0.174 0.000 1.360 153 L HN 0.895 nan 8.230 nan 0.000 0.560 154 G N -0.048 108.846 108.800 0.156 0.000 2.333 154 G HA2 0.306 4.266 3.960 -0.000 0.000 0.288 154 G HA3 0.306 4.266 3.960 -0.000 0.000 0.288 154 G C -1.840 173.234 174.900 0.291 0.000 1.286 154 G CA -0.510 44.657 45.100 0.111 0.000 0.865 154 G HN -0.048 nan 8.290 nan 0.000 0.506 155 E N -0.737 119.697 120.200 0.390 0.000 2.287 155 E HA 0.519 4.868 4.350 -0.000 0.000 0.274 155 E C -0.541 176.460 176.600 0.668 0.000 0.896 155 E CA -0.479 56.193 56.400 0.454 0.000 0.788 155 E CB 2.287 32.160 29.700 0.288 0.000 1.244 155 E HN 0.478 nan 8.360 nan 0.000 0.408 156 V N 3.166 123.413 119.914 0.554 0.000 2.479 156 V HA 0.446 4.566 4.120 -0.000 0.000 0.281 156 V C -0.123 176.291 176.094 0.533 0.000 1.031 156 V CA 0.336 62.973 62.300 0.562 0.000 1.038 156 V CB 0.749 32.681 31.823 0.181 0.000 0.981 156 V HN 0.683 nan 8.190 nan 0.000 0.478 157 S N 2.236 118.321 115.700 0.642 0.000 2.638 157 S HA 0.804 5.274 4.470 -0.000 0.000 0.274 157 S C 0.754 175.592 174.600 0.396 0.000 1.157 157 S CA 0.021 58.479 58.200 0.430 0.000 0.826 157 S CB 1.849 65.251 63.200 0.337 0.000 1.139 157 S HN 1.375 nan 8.310 nan 0.000 0.474 158 G N 0.639 109.577 108.800 0.230 0.000 2.195 158 G HA2 -0.168 3.791 3.960 -0.000 0.000 0.246 158 G HA3 -0.168 3.791 3.960 -0.000 0.000 0.246 158 G C -0.296 174.509 174.900 -0.159 0.000 0.984 158 G CA -0.081 45.073 45.100 0.091 0.000 0.633 158 G HN 0.756 nan 8.290 nan 0.000 0.525 159 H N 0.253 119.329 119.070 0.010 0.000 2.469 159 H HA 0.547 5.103 4.556 -0.000 0.000 0.342 159 H C 0.999 176.090 175.328 -0.396 0.000 1.115 159 H CA 0.202 56.146 56.048 -0.174 0.000 1.204 159 H CB 1.975 31.614 29.762 -0.205 0.000 1.492 159 H HN 0.308 nan 8.280 nan 0.000 0.499 160 S N 1.699 117.211 115.700 -0.312 0.000 2.520 160 S HA 0.087 4.557 4.470 -0.000 0.000 0.219 160 S C 0.682 174.960 174.600 -0.536 0.000 1.028 160 S CA -0.243 57.759 58.200 -0.330 0.000 0.921 160 S CB 0.932 64.077 63.200 -0.091 0.000 0.844 160 S HN 0.524 nan 8.310 nan 0.000 0.495 161 Q N 1.285 120.789 119.800 -0.494 0.000 2.252 161 Q HA 0.439 4.779 4.340 -0.000 0.000 0.256 161 Q C -0.250 175.607 176.000 -0.238 0.000 1.020 161 Q CA -1.128 54.550 55.803 -0.207 0.000 0.913 161 Q CB 1.253 29.984 28.738 -0.012 0.000 1.286 161 Q HN 0.355 nan 8.270 nan 0.000 0.480 162 R N 1.424 122.083 120.500 0.265 0.000 2.619 162 R HA -0.035 4.305 4.340 -0.000 0.000 0.268 162 R C -0.980 175.433 176.300 0.188 0.000 0.990 162 R CA 0.498 56.831 56.100 0.390 0.000 1.092 162 R CB -0.032 30.461 30.300 0.321 0.000 0.935 162 R HN 0.548 nan 8.270 nan 0.000 0.415 163 I N 4.533 125.206 120.570 0.172 0.000 2.353 163 I HA 0.045 4.215 4.170 -0.000 0.000 0.293 163 I C 0.803 176.969 176.117 0.082 0.000 0.992 163 I CA -0.642 60.643 61.300 -0.025 0.000 1.268 163 I CB 1.625 39.527 38.000 -0.162 0.000 1.387 163 I HN 0.707 nan 8.210 nan 0.000 0.478 164 N N 4.180 122.942 118.700 0.103 0.000 2.349 164 N HA 0.189 4.929 4.740 -0.000 0.000 0.180 164 N C 0.167 175.804 175.510 0.211 0.000 1.024 164 N CA 0.484 53.648 53.050 0.190 0.000 0.869 164 N CB 0.470 39.084 38.487 0.212 0.000 1.022 164 N HN 0.693 nan 8.380 nan 0.000 0.433 165 A N -0.237 122.652 122.820 0.114 0.000 2.556 165 A HA 0.695 5.015 4.320 -0.000 0.000 0.294 165 A C -0.781 176.803 177.584 -0.001 0.000 1.091 165 A CA -0.618 51.426 52.037 0.011 0.000 0.704 165 A CB 1.178 20.195 19.000 0.028 0.000 1.300 165 A HN 0.361 nan 8.150 nan 0.000 0.406 166 c N -0.494 118.088 118.600 -0.030 0.000 3.241 166 c HA 0.976 5.546 4.570 -0.000 0.000 0.312 166 c C -0.833 173.352 174.090 0.158 0.000 1.350 166 c CA -0.502 55.847 56.329 0.033 0.000 1.415 166 c CB 0.993 43.448 42.510 -0.092 0.000 1.770 166 c HN 1.224 nan 8.230 nan 0.000 0.466 167 H N 0.174 119.302 119.070 0.097 0.000 3.085 167 H HA 0.526 5.082 4.556 -0.000 0.000 0.356 167 H C -1.984 173.460 175.328 0.193 0.000 1.178 167 H CA -0.606 55.550 56.048 0.179 0.000 1.214 167 H CB 1.682 31.635 29.762 0.319 0.000 1.881 167 H HN 0.811 nan 8.280 nan 0.000 0.538 168 L N 4.555 125.541 121.223 -0.395 0.000 2.287 168 L HA 0.261 4.601 4.340 -0.000 0.000 0.287 168 L C 0.183 176.575 176.870 -0.797 0.000 1.022 168 L CA -0.576 53.992 54.840 -0.454 0.000 0.814 168 L CB 1.372 43.268 42.059 -0.271 0.000 1.217 168 L HN 0.472 nan 8.230 nan 0.000 0.420 169 K N 3.562 123.296 120.400 -1.111 0.000 2.491 169 K HA -0.050 4.270 4.320 -0.000 0.000 0.279 169 K C 0.067 176.375 176.600 -0.486 0.000 1.026 169 K CA 0.038 55.587 56.287 -1.230 0.000 1.070 169 K CB 0.580 32.326 32.500 -1.257 0.000 0.887 169 K HN 0.483 nan 8.250 nan 0.000 0.481 170 Q N 2.763 122.376 119.800 -0.311 0.000 2.642 170 Q HA 0.060 4.400 4.340 -0.000 0.000 0.319 170 Q C -0.698 175.101 176.000 -0.335 0.000 1.030 170 Q CA 0.008 55.742 55.803 -0.115 0.000 0.943 170 Q CB -0.239 28.486 28.738 -0.022 0.000 1.323 170 Q HN 0.695 nan 8.270 nan 0.000 0.419 171 S N -1.297 114.170 115.700 -0.390 0.000 2.622 171 S HA 0.483 4.953 4.470 -0.000 0.000 0.275 171 S C -0.808 173.611 174.600 -0.302 0.000 1.112 171 S CA -1.110 56.671 58.200 -0.699 0.000 0.837 171 S CB 1.563 64.469 63.200 -0.489 0.000 1.082 171 S HN 0.283 nan 8.310 nan 0.000 0.456 172 R N 0.738 121.087 120.500 -0.251 0.000 2.459 172 R HA 0.559 4.899 4.340 -0.000 0.000 0.281 172 R C -2.598 173.648 176.300 -0.090 0.000 1.050 172 R CA -1.709 54.361 56.100 -0.051 0.000 1.055 172 R CB 0.078 30.399 30.300 0.035 0.000 1.045 172 R HN 0.460 nan 8.270 nan 0.000 0.495 173 P HA 0.041 nan 4.420 nan 0.000 0.271 173 P C -0.314 176.953 177.300 -0.056 0.000 1.226 173 P CA 0.182 63.253 63.100 -0.047 0.000 0.765 173 P CB 0.572 32.248 31.700 -0.041 0.000 0.835 174 M N 3.529 123.103 119.600 -0.043 0.000 2.252 174 M HA 0.126 4.606 4.480 -0.000 0.000 0.333 174 M C 0.735 176.999 176.300 -0.060 0.000 1.111 174 M CA 0.935 56.226 55.300 -0.016 0.000 1.140 174 M CB 0.275 32.929 32.600 0.091 0.000 1.538 174 M HN 0.253 nan 8.290 nan 0.000 0.448 175 R N 0.655 121.111 120.500 -0.073 0.000 2.710 175 R HA 0.622 4.962 4.340 -0.000 0.000 0.270 175 R C -1.329 174.881 176.300 -0.151 0.000 1.021 175 R CA -0.701 55.310 56.100 -0.149 0.000 0.889 175 R CB 2.102 32.307 30.300 -0.158 0.000 1.243 175 R HN 0.737 nan 8.270 nan 0.000 0.464 176 S N 0.615 116.281 115.700 -0.057 0.000 2.661 176 S HA 0.821 5.291 4.470 -0.000 0.000 0.285 176 S C -1.333 173.458 174.600 0.318 0.000 1.138 176 S CA -0.645 57.602 58.200 0.078 0.000 0.855 176 S CB 1.447 64.599 63.200 -0.080 0.000 1.136 176 S HN 0.388 nan 8.310 nan 0.000 0.484 177 M N 2.789 122.608 119.600 0.365 0.000 2.322 177 M HA 0.335 4.815 4.480 -0.000 0.000 0.286 177 M C -1.128 175.331 176.300 0.265 0.000 1.111 177 M CA -0.289 55.242 55.300 0.384 0.000 0.941 177 M CB 1.627 34.419 32.600 0.321 0.000 1.671 177 M HN 0.951 nan 8.290 nan 0.000 0.470 178 T N 0.251 115.019 114.554 0.356 0.000 2.908 178 T HA 0.890 5.240 4.350 -0.000 0.000 0.290 178 T C -0.863 174.024 174.700 0.311 0.000 1.034 178 T CA -0.886 61.354 62.100 0.233 0.000 1.010 178 T CB 2.508 71.493 68.868 0.195 0.000 1.068 178 T HN 0.572 nan 8.240 nan 0.000 0.481 179 V N 0.472 120.489 119.914 0.172 0.000 3.000 179 V HA 0.860 4.979 4.120 -0.000 0.000 0.300 179 V C -0.275 175.909 176.094 0.150 0.000 1.251 179 V CA 0.504 62.953 62.300 0.249 0.000 0.972 179 V CB 1.626 33.554 31.823 0.175 0.000 1.065 179 V HN 1.565 nan 8.190 nan 0.000 0.431 180 G N 3.606 112.530 108.800 0.206 0.000 2.694 180 G HA2 0.423 4.383 3.960 -0.000 0.000 0.246 180 G HA3 0.423 4.383 3.960 -0.000 0.000 0.246 180 G C -1.455 173.533 174.900 0.147 0.000 1.205 180 G CA -0.413 44.779 45.100 0.153 0.000 0.891 180 G HN 0.652 nan 8.290 nan 0.000 0.515 181 D N 0.395 120.881 120.400 0.143 0.000 2.400 181 D HA 0.386 5.026 4.640 -0.000 0.000 0.238 181 D C 0.320 176.617 176.300 -0.006 0.000 1.157 181 D CA 1.155 55.197 54.000 0.070 0.000 0.889 181 D CB 0.840 41.707 40.800 0.112 0.000 1.199 181 D HN 0.560 nan 8.370 nan 0.000 0.436 182 D N 0.212 120.542 120.400 -0.117 0.000 2.739 182 D HA -0.133 4.507 4.640 -0.000 0.000 0.240 182 D C 0.763 177.035 176.300 -0.047 0.000 1.114 182 D CA 1.228 55.168 54.000 -0.101 0.000 0.695 182 D CB -1.256 39.509 40.800 -0.059 0.000 1.078 182 D HN 0.762 nan 8.370 nan 0.000 0.434 183 G N 0.395 109.168 108.800 -0.045 0.000 2.449 183 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.304 183 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.304 183 G C 0.303 175.258 174.900 0.093 0.000 0.962 183 G CA 0.897 46.026 45.100 0.048 0.000 0.943 183 G HN 1.289 nan 8.290 nan 0.000 0.514 184 S N -1.551 114.196 115.700 0.078 0.000 2.499 184 S HA 0.709 5.179 4.470 -0.000 0.000 0.279 184 S C -0.220 174.462 174.600 0.137 0.000 1.219 184 S CA -0.855 57.379 58.200 0.056 0.000 1.062 184 S CB 2.991 66.181 63.200 -0.017 0.000 0.978 184 S HN 0.745 nan 8.310 nan 0.000 0.489 185 V N 3.670 123.629 119.914 0.075 0.000 2.569 185 V HA 0.496 4.616 4.120 -0.000 0.000 0.301 185 V C -0.633 175.454 176.094 -0.012 0.000 1.044 185 V CA -0.610 61.750 62.300 0.100 0.000 0.874 185 V CB 1.789 33.677 31.823 0.108 0.000 1.002 185 V HN 0.848 nan 8.190 nan 0.000 0.424 186 V N 5.075 125.032 119.914 0.071 0.000 2.680 186 V HA 0.571 4.691 4.120 -0.000 0.000 0.309 186 V C -0.940 175.216 176.094 0.104 0.000 1.052 186 V CA -0.690 61.585 62.300 -0.041 0.000 0.908 186 V CB 2.159 33.932 31.823 -0.084 0.000 1.001 186 V HN 0.694 nan 8.190 nan 0.000 0.431 187 F N 4.184 123.941 119.950 -0.321 0.000 2.480 187 F HA 0.802 5.329 4.527 -0.000 0.000 0.329 187 F C -0.978 174.671 175.800 -0.251 0.000 1.091 187 F CA -0.710 57.222 58.000 -0.112 0.000 0.972 187 F CB 1.449 40.355 39.000 -0.157 0.000 1.150 187 F HN 0.391 nan 8.300 nan 0.000 0.467 188 Y N 2.048 122.034 120.300 -0.523 0.000 2.602 188 Y HA 0.524 5.074 4.550 -0.000 0.000 0.342 188 Y C -0.554 175.054 175.900 -0.486 0.000 1.029 188 Y CA -1.110 56.792 58.100 -0.329 0.000 1.080 188 Y CB 1.494 39.911 38.460 -0.072 0.000 1.284 188 Y HN 0.438 nan 8.280 nan 0.000 0.485 189 Q N 0.343 120.082 119.800 -0.103 0.000 2.337 189 Q HA 0.719 5.059 4.340 -0.000 0.000 0.266 189 Q C -0.454 175.353 176.000 -0.322 0.000 1.023 189 Q CA -0.559 55.138 55.803 -0.177 0.000 0.829 189 Q CB 2.373 31.051 28.738 -0.100 0.000 1.306 189 Q HN 1.003 nan 8.270 nan 0.000 0.449 190 G N 2.332 110.907 108.800 -0.374 0.000 2.348 190 G HA2 0.204 4.164 3.960 -0.000 0.000 0.296 190 G HA3 0.204 4.164 3.960 -0.000 0.000 0.296 190 G C -3.057 171.348 174.900 -0.826 0.000 1.258 190 G CA -0.813 43.810 45.100 -0.794 0.000 0.868 190 G HN 0.335 nan 8.290 nan 0.000 0.488 191 P HA 0.421 nan 4.420 nan 0.000 0.268 191 P C -2.306 174.699 177.300 -0.492 0.000 1.282 191 P CA 0.394 63.051 63.100 -0.738 0.000 0.880 191 P CB 0.518 32.019 31.700 -0.333 0.000 0.971 192 P HA -0.080 nan 4.420 nan 0.000 0.015 192 P C -1.129 175.928 177.300 -0.406 0.000 0.950 192 P CA -0.149 62.766 63.100 -0.309 0.000 1.035 192 P CB -1.217 30.385 31.700 -0.164 0.000 1.909 193 F N 2.207 121.932 119.950 -0.374 0.000 2.612 193 F HA 0.261 4.788 4.527 -0.000 0.000 0.389 193 F C 1.487 177.118 175.800 -0.282 0.000 1.055 193 F CA 1.023 58.700 58.000 -0.538 0.000 1.232 193 F CB 0.365 38.512 39.000 -1.421 0.000 1.044 193 F HN -0.043 nan 8.300 nan 0.000 0.560 194 K N 3.237 123.671 120.400 0.056 0.000 2.508 194 K HA 0.363 4.683 4.320 -0.000 0.000 0.260 194 K C -1.125 175.588 176.600 0.189 0.000 0.949 194 K CA -1.131 55.258 56.287 0.170 0.000 0.834 194 K CB 1.179 33.727 32.500 0.080 0.000 1.365 194 K HN 0.336 nan 8.250 nan 0.000 0.437 195 F N 1.624 121.572 119.950 -0.004 0.000 2.623 195 F HA -0.075 4.452 4.527 -0.000 0.000 0.386 195 F C 1.081 176.807 175.800 -0.123 0.000 1.068 195 F CA 1.271 59.129 58.000 -0.237 0.000 1.265 195 F CB 0.675 39.590 39.000 -0.142 0.000 1.026 195 F HN 0.554 nan 8.300 nan 0.000 0.568 196 S N 4.176 119.541 115.700 -0.559 0.000 2.979 196 S HA 0.637 5.107 4.470 -0.000 0.000 0.243 196 S C 0.011 174.448 174.600 -0.272 0.000 1.036 196 S CA 0.455 58.554 58.200 -0.169 0.000 0.846 196 S CB -0.139 63.058 63.200 -0.005 0.000 0.806 196 S HN 0.997 nan 8.310 nan 0.000 0.568 197 A N 0.556 123.035 122.820 -0.569 0.000 2.556 197 A HA 0.787 5.107 4.320 -0.000 0.000 0.294 197 A C -0.635 176.626 177.584 -0.538 0.000 1.091 197 A CA -0.362 51.463 52.037 -0.354 0.000 0.704 197 A CB 1.628 20.594 19.000 -0.057 0.000 1.300 197 A HN 0.476 nan 8.150 nan 0.000 0.406 198 S N 0.057 115.670 115.700 -0.145 0.000 2.634 198 S HA 0.753 5.223 4.470 -0.000 0.000 0.296 198 S C -1.997 172.615 174.600 0.020 0.000 1.104 198 S CA -0.406 57.763 58.200 -0.050 0.000 0.920 198 S CB 2.002 65.316 63.200 0.190 0.000 1.111 198 S HN 0.884 nan 8.310 nan 0.000 0.493 199 D N 0.762 121.175 120.400 0.022 0.000 2.966 199 D HA 0.387 5.027 4.640 -0.000 0.000 0.222 199 D C -0.836 175.496 176.300 0.054 0.000 1.292 199 D CA -0.344 53.702 54.000 0.076 0.000 0.907 199 D CB 1.343 42.265 40.800 0.203 0.000 1.621 199 D HN 0.644 nan 8.370 nan 0.000 0.557 200 R N 2.107 122.609 120.500 0.002 0.000 2.599 200 R HA 0.115 4.454 4.340 -0.000 0.000 0.451 200 R C 0.769 177.023 176.300 -0.076 0.000 0.988 200 R CA -0.040 56.052 56.100 -0.013 0.000 1.085 200 R CB 0.841 31.128 30.300 -0.022 0.000 1.452 200 R HN 0.484 nan 8.270 nan 0.000 0.596 201 T N -2.503 111.943 114.554 -0.180 0.000 2.954 201 T HA 0.079 4.429 4.350 -0.000 0.000 0.252 201 T C 1.101 175.530 174.700 -0.452 0.000 0.983 201 T CA 0.306 62.200 62.100 -0.343 0.000 0.941 201 T CB 0.222 68.796 68.868 -0.491 0.000 1.141 201 T HN 0.207 nan 8.240 nan 0.000 0.500 202 H N 0.216 119.173 119.070 -0.189 0.000 2.563 202 H HA 0.300 4.856 4.556 -0.000 0.000 0.264 202 H C -0.061 175.175 175.328 -0.153 0.000 0.957 202 H CA 0.439 56.318 56.048 -0.282 0.000 1.173 202 H CB 0.195 29.549 29.762 -0.681 0.000 1.420 202 H HN 0.412 nan 8.280 nan 0.000 0.551 203 H N 1.214 120.371 119.070 0.145 0.000 2.609 203 H HA 0.237 4.793 4.556 -0.000 0.000 0.344 203 H C 0.080 175.419 175.328 0.018 0.000 1.040 203 H CA -0.697 55.415 56.048 0.106 0.000 1.216 203 H CB 1.528 31.363 29.762 0.122 0.000 1.529 203 H HN 0.064 nan 8.280 nan 0.000 0.519 204 K N 3.104 123.577 120.400 0.121 0.000 2.511 204 K HA -0.030 4.290 4.320 -0.000 0.000 0.280 204 K C 0.637 177.229 176.600 -0.013 0.000 1.008 204 K CA 0.040 56.340 56.287 0.022 0.000 1.050 204 K CB 0.647 33.143 32.500 -0.007 0.000 0.889 204 K HN 0.589 nan 8.250 nan 0.000 0.484 205 Q N 1.003 120.782 119.800 -0.034 0.000 2.414 205 Q HA 0.006 4.346 4.340 -0.000 0.000 0.288 205 Q C 0.946 176.884 176.000 -0.102 0.000 1.086 205 Q CA 0.343 56.112 55.803 -0.056 0.000 0.943 205 Q CB -0.014 28.693 28.738 -0.051 0.000 1.282 205 Q HN 0.878 nan 8.270 nan 0.000 0.438 206 G N 0.790 109.506 108.800 -0.139 0.000 2.228 206 G HA2 -0.392 3.568 3.960 -0.000 0.000 0.270 206 G HA3 -0.392 3.568 3.960 -0.000 0.000 0.270 206 G C 0.298 174.937 174.900 -0.433 0.000 0.976 206 G CA 0.596 45.559 45.100 -0.229 0.000 0.636 206 G HN 1.146 nan 8.290 nan 0.000 0.542 207 S N -0.378 115.114 115.700 -0.347 0.000 2.655 207 S HA 0.745 5.215 4.470 -0.000 0.000 0.265 207 S C -0.176 174.096 174.600 -0.546 0.000 1.240 207 S CA -0.558 57.381 58.200 -0.435 0.000 0.986 207 S CB 1.020 64.125 63.200 -0.159 0.000 0.985 207 S HN 0.558 nan 8.310 nan 0.000 0.562 208 F N 0.259 120.149 119.950 -0.101 0.000 2.402 208 F HA 0.482 5.009 4.527 -0.000 0.000 0.355 208 F C -0.384 175.320 175.800 -0.160 0.000 1.123 208 F CA -1.150 56.785 58.000 -0.108 0.000 1.021 208 F CB 1.274 40.188 39.000 -0.143 0.000 1.160 208 F HN 0.252 nan 8.300 nan 0.000 0.451 209 V N 5.087 125.007 119.914 0.009 0.000 2.385 209 V HA 0.321 4.441 4.120 -0.000 0.000 0.269 209 V C 0.834 176.947 176.094 0.031 0.000 1.043 209 V CA -0.476 61.762 62.300 -0.104 0.000 0.906 209 V CB 1.097 32.847 31.823 -0.122 0.000 0.995 209 V HN 0.786 nan 8.190 nan 0.000 0.467 210 R N 1.875 122.385 120.500 0.017 0.000 2.290 210 R HA 0.261 4.601 4.340 -0.000 0.000 0.197 210 R C -0.174 176.246 176.300 0.200 0.000 0.913 210 R CA 0.104 56.262 56.100 0.097 0.000 1.040 210 R CB 0.430 30.744 30.300 0.023 0.000 0.992 210 R HN 0.705 nan 8.270 nan 0.000 0.500 211 D N -0.763 119.728 120.400 0.152 0.000 2.654 211 D HA 0.300 4.940 4.640 -0.000 0.000 0.231 211 D C -1.868 174.505 176.300 0.121 0.000 1.239 211 D CA -0.448 53.664 54.000 0.187 0.000 0.790 211 D CB 2.476 43.408 40.800 0.222 0.000 1.480 211 D HN -0.217 nan 8.370 nan 0.000 0.442 212 V N 1.610 121.590 119.914 0.110 0.000 3.012 212 V HA 0.778 4.898 4.120 -0.000 0.000 0.307 212 V C -1.787 174.382 176.094 0.125 0.000 1.166 212 V CA -0.276 62.091 62.300 0.112 0.000 0.974 212 V CB 2.051 33.948 31.823 0.125 0.000 1.040 212 V HN 0.660 nan 8.190 nan 0.000 0.428 213 E N 3.687 123.991 120.200 0.172 0.000 2.388 213 E HA 0.391 4.741 4.350 -0.000 0.000 0.289 213 E C -1.949 174.958 176.600 0.511 0.000 0.944 213 E CA -0.541 56.027 56.400 0.279 0.000 0.792 213 E CB 1.454 31.262 29.700 0.180 0.000 1.239 213 E HN 0.547 nan 8.360 nan 0.000 0.412 214 F N 1.820 122.110 119.950 0.568 0.000 2.389 214 F HA 0.197 4.724 4.527 -0.000 0.000 0.337 214 F C 1.144 176.805 175.800 -0.231 0.000 1.112 214 F CA -0.134 58.006 58.000 0.232 0.000 1.192 214 F CB 1.181 40.275 39.000 0.156 0.000 1.185 214 F HN 0.317 nan 8.300 nan 0.000 0.552 215 S N 2.865 118.187 115.700 -0.630 0.000 2.568 215 S HA 0.298 4.768 4.470 -0.000 0.000 0.282 215 S C -2.494 171.809 174.600 -0.496 0.000 1.338 215 S CA -1.244 56.062 58.200 -1.490 0.000 1.045 215 S CB 0.446 62.771 63.200 -1.459 0.000 0.873 215 S HN 0.270 nan 8.310 nan 0.000 0.516 216 P HA 0.239 nan 4.420 nan 0.000 0.278 216 P C 0.417 177.656 177.300 -0.101 0.000 1.270 216 P CA 0.158 63.209 63.100 -0.081 0.000 0.800 216 P CB 0.052 31.766 31.700 0.024 0.000 1.142 217 D N -1.948 118.410 120.400 -0.070 0.000 4.344 217 D HA -0.235 4.405 4.640 -0.000 0.000 0.144 217 D C 1.000 177.216 176.300 -0.140 0.000 0.730 217 D CA 2.643 56.587 54.000 -0.093 0.000 1.156 217 D CB -1.805 38.955 40.800 -0.066 0.000 0.570 217 D HN 0.457 nan 8.370 nan 0.000 0.533 218 S N 0.155 115.774 115.700 -0.134 0.000 2.575 218 S HA 0.417 4.887 4.470 -0.000 0.000 0.215 218 S C 1.364 175.882 174.600 -0.137 0.000 0.966 218 S CA 0.653 58.763 58.200 -0.149 0.000 0.911 218 S CB 0.745 63.867 63.200 -0.130 0.000 0.780 218 S HN 1.364 nan 8.310 nan 0.000 0.514 219 G N 3.208 111.931 108.800 -0.128 0.000 2.370 219 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.293 219 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.293 219 G C 0.438 175.302 174.900 -0.060 0.000 0.992 219 G CA 0.465 45.535 45.100 -0.050 0.000 1.247 219 G HN 0.834 nan 8.290 nan 0.000 0.505 220 E N -0.795 119.252 120.200 -0.255 0.000 2.418 220 E HA 0.219 4.569 4.350 -0.000 0.000 0.197 220 E C 0.408 176.553 176.600 -0.758 0.000 1.026 220 E CA 0.312 56.394 56.400 -0.531 0.000 0.862 220 E CB 0.102 29.343 29.700 -0.765 0.000 0.799 220 E HN 0.528 nan 8.360 nan 0.000 0.518 221 F N -0.364 119.585 119.950 -0.002 0.000 2.650 221 F HA 0.530 5.057 4.527 -0.000 0.000 0.320 221 F C -0.715 175.087 175.800 0.003 0.000 1.091 221 F CA -1.327 56.688 58.000 0.024 0.000 0.962 221 F CB 2.064 41.114 39.000 0.082 0.000 1.363 221 F HN -0.317 nan 8.300 nan 0.000 0.482 222 V N 2.467 122.495 119.914 0.191 0.000 2.760 222 V HA 0.563 4.683 4.120 -0.000 0.000 0.309 222 V C -0.709 175.470 176.094 0.141 0.000 1.077 222 V CA -0.742 61.495 62.300 -0.104 0.000 0.910 222 V CB 2.144 33.651 31.823 -0.527 0.000 1.008 222 V HN 0.589 nan 8.190 nan 0.000 0.424 223 I N 3.349 123.992 120.570 0.122 0.000 2.545 223 I HA 0.659 4.829 4.170 -0.000 0.000 0.292 223 I C -0.046 176.122 176.117 0.084 0.000 1.040 223 I CA -0.344 60.987 61.300 0.050 0.000 1.068 223 I CB 2.773 40.586 38.000 -0.312 0.000 1.251 223 I HN 0.845 nan 8.210 nan 0.000 0.424 224 T N 3.111 117.787 114.554 0.205 0.000 2.908 224 T HA 0.844 5.194 4.350 -0.000 0.000 0.290 224 T C -0.545 174.291 174.700 0.226 0.000 1.034 224 T CA -0.686 61.559 62.100 0.242 0.000 1.010 224 T CB 2.047 71.163 68.868 0.412 0.000 1.068 224 T HN 0.527 nan 8.240 nan 0.000 0.481 225 V N -1.625 118.344 119.914 0.092 0.000 3.147 225 V HA 1.052 5.172 4.120 -0.000 0.000 0.306 225 V C -0.132 175.896 176.094 -0.111 0.000 1.209 225 V CA -0.069 62.244 62.300 0.022 0.000 1.023 225 V CB 1.378 33.219 31.823 0.030 0.000 1.059 225 V HN 1.581 nan 8.190 nan 0.000 0.435 226 G N 0.746 109.459 108.800 -0.145 0.000 2.494 226 G HA2 0.498 4.458 3.960 -0.000 0.000 0.308 226 G HA3 0.498 4.458 3.960 -0.000 0.000 0.308 226 G C 0.506 175.305 174.900 -0.167 0.000 1.263 226 G CA 0.456 45.447 45.100 -0.181 0.000 0.840 226 G HN 1.908 nan 8.290 nan 0.000 0.479 227 S N -0.542 115.088 115.700 -0.116 0.000 2.442 227 S HA -0.114 4.356 4.470 -0.000 0.000 0.236 227 S C 1.404 175.981 174.600 -0.038 0.000 1.007 227 S CA 2.129 60.285 58.200 -0.073 0.000 0.965 227 S CB -0.315 62.989 63.200 0.174 0.000 0.773 227 S HN 0.707 nan 8.310 nan 0.000 0.504 228 D N 0.973 121.357 120.400 -0.026 0.000 2.336 228 D HA 0.028 4.668 4.640 -0.000 0.000 0.229 228 D C 0.727 177.020 176.300 -0.012 0.000 1.061 228 D CA -0.154 53.843 54.000 -0.004 0.000 0.875 228 D CB -0.788 40.033 40.800 0.036 0.000 0.904 228 D HN 0.523 nan 8.370 nan 0.000 0.525 229 R N -1.365 119.121 120.500 -0.024 0.000 3.875 229 R HA -0.151 4.189 4.340 -0.000 0.000 0.321 229 R C -0.469 175.813 176.300 -0.029 0.000 1.196 229 R CA 0.758 56.844 56.100 -0.023 0.000 0.868 229 R CB -1.713 28.574 30.300 -0.022 0.000 1.333 229 R HN 0.208 nan 8.270 nan 0.000 0.522 230 K N 1.147 121.562 120.400 0.025 0.000 2.130 230 K HA 0.469 4.789 4.320 -0.000 0.000 0.268 230 K C 0.295 176.989 176.600 0.156 0.000 0.983 230 K CA -0.538 55.762 56.287 0.023 0.000 0.893 230 K CB 1.254 33.789 32.500 0.059 0.000 1.066 230 K HN 0.092 nan 8.250 nan 0.000 0.450 231 I N 2.138 122.744 120.570 0.061 0.000 2.405 231 I HA 0.118 4.288 4.170 -0.000 0.000 0.280 231 I C -0.295 175.902 176.117 0.132 0.000 1.027 231 I CA -0.460 60.859 61.300 0.032 0.000 1.161 231 I CB 1.479 39.343 38.000 -0.228 0.000 1.300 231 I HN 0.306 nan 8.210 nan 0.000 0.463 232 S N 4.500 120.314 115.700 0.190 0.000 2.525 232 S HA 0.323 4.792 4.470 -0.000 0.000 0.278 232 S C -0.469 174.010 174.600 -0.203 0.000 1.234 232 S CA -0.585 57.635 58.200 0.033 0.000 1.058 232 S CB 1.738 64.978 63.200 0.067 0.000 0.983 232 S HN 0.711 nan 8.310 nan 0.000 0.495 233 C N 5.144 124.074 119.300 -0.616 0.000 2.293 233 C HA 0.736 5.196 4.460 -0.000 0.000 0.323 233 C C -0.884 173.665 174.990 -0.735 0.000 1.240 233 C CA -0.851 57.864 59.018 -0.505 0.000 1.497 233 C CB -1.778 25.683 27.740 -0.465 0.000 2.171 233 C HN 0.757 nan 8.230 nan 0.000 0.465 234 F N 2.658 122.475 119.950 -0.221 0.000 2.509 234 F HA 0.438 4.965 4.527 -0.000 0.000 0.334 234 F C 0.353 176.123 175.800 -0.051 0.000 1.060 234 F CA -0.656 57.224 58.000 -0.199 0.000 0.997 234 F CB 0.807 39.695 39.000 -0.188 0.000 1.271 234 F HN 0.559 nan 8.300 nan 0.000 0.488 235 D N -0.061 120.398 120.400 0.098 0.000 2.277 235 D HA 0.302 4.942 4.640 -0.000 0.000 0.249 235 D C 1.227 177.547 176.300 0.033 0.000 1.134 235 D CA -0.140 53.885 54.000 0.042 0.000 0.863 235 D CB 1.499 42.283 40.800 -0.027 0.000 1.143 235 D HN 0.656 nan 8.370 nan 0.000 0.458 236 G N 3.774 112.620 108.800 0.077 0.000 2.516 236 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.221 236 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.221 236 G C 1.258 176.394 174.900 0.394 0.000 1.107 236 G CA 0.564 45.855 45.100 0.318 0.000 0.747 236 G HN 0.512 nan 8.290 nan 0.000 0.567 237 K N 0.158 120.673 120.400 0.192 0.000 2.216 237 K HA 0.014 4.334 4.320 -0.000 0.000 0.207 237 K C 2.900 179.650 176.600 0.251 0.000 1.041 237 K CA 0.991 57.410 56.287 0.221 0.000 0.966 237 K CB -0.042 32.506 32.500 0.080 0.000 0.955 237 K HN 0.345 nan 8.250 nan 0.000 0.468 238 S N -0.690 115.041 115.700 0.052 0.000 2.406 238 S HA 0.044 4.514 4.470 -0.000 0.000 0.228 238 S C 1.462 175.840 174.600 -0.370 0.000 1.020 238 S CA 1.026 59.209 58.200 -0.029 0.000 0.965 238 S CB -0.056 63.122 63.200 -0.036 0.000 0.798 238 S HN 0.568 nan 8.310 nan 0.000 0.488 239 G N 1.250 109.660 108.800 -0.650 0.000 2.159 239 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.256 239 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.256 239 G C -0.172 174.512 174.900 -0.359 0.000 0.977 239 G CA 0.322 44.689 45.100 -1.222 0.000 0.652 239 G HN 0.811 nan 8.290 nan 0.000 0.531 240 E N -0.149 119.968 120.200 -0.139 0.000 2.360 240 E HA 0.376 4.726 4.350 -0.000 0.000 0.269 240 E C 0.068 176.712 176.600 0.074 0.000 1.022 240 E CA -0.953 55.459 56.400 0.019 0.000 0.887 240 E CB 0.219 29.910 29.700 -0.014 0.000 0.990 240 E HN 0.293 nan 8.360 nan 0.000 0.426 241 F N 5.207 125.096 119.950 -0.103 0.000 2.543 241 F HA 0.005 4.531 4.527 -0.000 0.000 0.375 241 F C 0.261 175.776 175.800 -0.475 0.000 1.075 241 F CA -0.243 57.385 58.000 -0.621 0.000 1.225 241 F CB 0.507 38.941 39.000 -0.944 0.000 1.099 241 F HN 0.557 nan 8.300 nan 0.000 0.561 242 L N 5.617 126.158 121.223 -1.136 0.000 2.189 242 L HA 0.251 4.591 4.340 -0.000 0.000 0.199 242 L C 0.109 176.403 176.870 -0.959 0.000 1.074 242 L CA 1.257 55.651 54.840 -0.744 0.000 0.783 242 L CB -0.561 41.247 42.059 -0.417 0.000 0.955 242 L HN 0.776 nan 8.230 nan 0.000 0.460 243 K N -3.649 115.836 120.400 -1.526 0.000 2.809 243 K HA 0.177 4.497 4.320 -0.000 0.000 0.293 243 K C -1.556 174.512 176.600 -0.886 0.000 1.061 243 K CA -0.808 54.878 56.287 -1.002 0.000 0.837 243 K CB 0.397 32.640 32.500 -0.428 0.000 1.524 243 K HN -0.230 nan 8.250 nan 0.000 0.370 244 Y N 0.550 120.714 120.300 -0.228 0.000 2.352 244 Y HA 0.402 4.952 4.550 -0.000 0.000 0.326 244 Y C 0.281 176.064 175.900 -0.195 0.000 1.166 244 Y CA -1.311 56.706 58.100 -0.138 0.000 1.182 244 Y CB 1.321 39.774 38.460 -0.011 0.000 1.216 244 Y HN 0.263 nan 8.280 nan 0.000 0.474 245 I N 3.971 124.510 120.570 -0.052 0.000 2.291 245 I HA 0.158 4.328 4.170 -0.000 0.000 0.290 245 I C -0.371 175.604 176.117 -0.236 0.000 1.050 245 I CA -0.438 60.760 61.300 -0.171 0.000 1.245 245 I CB 0.031 37.873 38.000 -0.264 0.000 1.405 245 I HN 0.699 nan 8.210 nan 0.000 0.478 246 E N 4.345 124.505 120.200 -0.068 0.000 2.331 246 E HA 0.539 4.889 4.350 -0.000 0.000 0.275 246 E C -1.615 175.056 176.600 0.119 0.000 0.895 246 E CA -0.845 55.558 56.400 0.005 0.000 0.753 246 E CB 2.999 32.696 29.700 -0.004 0.000 1.216 246 E HN 0.274 nan 8.360 nan 0.000 0.434 247 D N 2.030 122.560 120.400 0.215 0.000 2.593 247 D HA 0.160 4.800 4.640 -0.000 0.000 0.251 247 D C -0.051 176.303 176.300 0.090 0.000 1.140 247 D CA -0.562 53.531 54.000 0.155 0.000 0.855 247 D CB 1.690 42.599 40.800 0.182 0.000 1.267 247 D HN 0.329 nan 8.370 nan 0.000 0.532 248 D N 1.839 122.267 120.400 0.046 0.000 2.190 248 D HA -0.169 4.471 4.640 -0.000 0.000 0.200 248 D C 1.158 177.464 176.300 0.010 0.000 0.992 248 D CA 1.169 55.183 54.000 0.023 0.000 0.854 248 D CB 0.284 41.090 40.800 0.011 0.000 0.936 248 D HN 0.517 nan 8.370 nan 0.000 0.462 249 Q N -0.023 119.775 119.800 -0.003 0.000 2.320 249 Q HA 0.077 4.416 4.340 -0.000 0.000 0.201 249 Q C 0.093 176.066 176.000 -0.045 0.000 0.910 249 Q CA 0.414 56.199 55.803 -0.030 0.000 0.946 249 Q CB 0.735 29.443 28.738 -0.050 0.000 1.062 249 Q HN 0.201 nan 8.270 nan 0.000 0.503 250 E N 0.909 121.102 120.200 -0.011 0.000 3.626 250 E HA 0.293 4.643 4.350 -0.000 0.000 0.245 250 E C -2.577 174.075 176.600 0.086 0.000 1.236 250 E CA -1.787 54.603 56.400 -0.017 0.000 1.072 250 E CB 1.398 31.016 29.700 -0.138 0.000 1.309 250 E HN 0.072 nan 8.360 nan 0.000 0.400 251 P HA 0.051 nan 4.420 nan 0.000 0.268 251 P C -0.138 177.211 177.300 0.081 0.000 1.204 251 P CA -0.235 62.904 63.100 0.064 0.000 0.768 251 P CB 0.873 32.589 31.700 0.026 0.000 0.842 252 V N 4.757 124.731 119.914 0.099 0.000 2.427 252 V HA 0.041 4.161 4.120 -0.000 0.000 0.268 252 V C 1.046 177.170 176.094 0.051 0.000 1.046 252 V CA 0.411 62.772 62.300 0.102 0.000 0.970 252 V CB 0.474 32.360 31.823 0.105 0.000 1.001 252 V HN 0.547 nan 8.190 nan 0.000 0.476 253 Q N 3.255 123.083 119.800 0.046 0.000 2.222 253 Q HA 0.440 4.780 4.340 -0.000 0.000 0.206 253 Q C 0.701 176.720 176.000 0.032 0.000 0.877 253 Q CA 0.102 55.923 55.803 0.030 0.000 0.958 253 Q CB 1.114 29.866 28.738 0.023 0.000 1.075 253 Q HN 0.900 nan 8.270 nan 0.000 0.483 254 G N -0.982 107.841 108.800 0.038 0.000 2.646 254 G HA2 0.497 4.457 3.960 -0.000 0.000 0.291 254 G HA3 0.497 4.457 3.960 -0.000 0.000 0.291 254 G C -0.784 174.125 174.900 0.014 0.000 1.445 254 G CA -0.559 44.564 45.100 0.039 0.000 0.814 254 G HN 0.078 nan 8.290 nan 0.000 0.495 255 G N -0.655 108.130 108.800 -0.025 0.000 2.432 255 G HA2 0.441 4.401 3.960 -0.000 0.000 0.239 255 G HA3 0.441 4.401 3.960 -0.000 0.000 0.239 255 G C 0.174 174.958 174.900 -0.194 0.000 1.291 255 G CA -0.243 44.770 45.100 -0.145 0.000 0.863 255 G HN 0.639 nan 8.290 nan 0.000 0.560 256 I N 1.120 121.564 120.570 -0.210 0.000 2.385 256 I HA 0.265 4.435 4.170 -0.000 0.000 0.294 256 I C 0.205 176.140 176.117 -0.305 0.000 0.988 256 I CA -0.395 60.835 61.300 -0.116 0.000 1.265 256 I CB 1.556 39.547 38.000 -0.013 0.000 1.388 256 I HN 0.464 nan 8.210 nan 0.000 0.480 257 F N 3.478 123.442 119.950 0.023 0.000 2.602 257 F HA 0.438 4.965 4.527 -0.000 0.000 0.284 257 F C 0.937 176.760 175.800 0.039 0.000 1.111 257 F CA 0.109 58.112 58.000 0.004 0.000 1.405 257 F CB 0.431 39.419 39.000 -0.021 0.000 1.121 257 F HN 0.515 nan 8.300 nan 0.000 0.603 258 A N 0.192 123.148 122.820 0.227 0.000 2.610 258 A HA 0.754 5.073 4.320 -0.000 0.000 0.291 258 A C -1.772 175.913 177.584 0.168 0.000 1.086 258 A CA -0.627 51.527 52.037 0.195 0.000 0.677 258 A CB 1.403 20.522 19.000 0.200 0.000 1.278 258 A HN 0.197 nan 8.150 nan 0.000 0.414 259 L N -1.371 119.944 121.223 0.153 0.000 2.415 259 L HA 1.013 5.353 4.340 -0.000 0.000 0.256 259 L C -0.687 176.260 176.870 0.127 0.000 1.010 259 L CA -0.501 54.420 54.840 0.136 0.000 0.826 259 L CB 2.127 44.218 42.059 0.053 0.000 1.405 259 L HN 1.014 nan 8.230 nan 0.000 0.410 260 S N 0.591 116.370 115.700 0.132 0.000 2.592 260 S HA 0.525 4.995 4.470 -0.000 0.000 0.275 260 S C -1.939 172.792 174.600 0.218 0.000 1.169 260 S CA -0.471 57.836 58.200 0.178 0.000 0.958 260 S CB 0.707 64.012 63.200 0.175 0.000 1.095 260 S HN 0.612 nan 8.310 nan 0.000 0.471 261 W N 5.472 126.907 121.300 0.224 0.000 2.266 261 W HA 0.358 5.018 4.660 -0.000 0.000 0.317 261 W C 1.419 178.060 176.519 0.203 0.000 1.310 261 W CA -0.530 56.972 57.345 0.263 0.000 1.207 261 W CB 0.547 30.148 29.460 0.235 0.000 1.199 261 W HN 0.574 nan 8.180 nan 0.000 0.544 262 L N 1.769 123.240 121.223 0.413 0.000 2.162 262 L HA 0.008 4.347 4.340 -0.000 0.000 0.205 262 L C 0.430 177.466 176.870 0.278 0.000 1.086 262 L CA 1.128 56.131 54.840 0.271 0.000 0.778 262 L CB -0.597 41.584 42.059 0.203 0.000 0.928 262 L HN 0.517 nan 8.230 nan 0.000 0.446 263 D N -3.499 117.119 120.400 0.363 0.000 2.970 263 D HA -0.029 4.611 4.640 -0.000 0.000 0.344 263 D C 0.554 177.065 176.300 0.351 0.000 1.365 263 D CA 0.213 54.384 54.000 0.285 0.000 0.910 263 D CB 0.376 41.299 40.800 0.205 0.000 1.445 263 D HN -0.157 nan 8.370 nan 0.000 0.532 264 S N -1.422 114.403 115.700 0.208 0.000 2.500 264 S HA -0.148 4.322 4.470 -0.000 0.000 0.239 264 S C 0.921 175.710 174.600 0.315 0.000 0.989 264 S CA 1.063 59.345 58.200 0.136 0.000 0.951 264 S CB -0.363 62.881 63.200 0.073 0.000 0.759 264 S HN 0.441 nan 8.310 nan 0.000 0.523 265 Q N 0.227 120.280 119.800 0.421 0.000 2.369 265 Q HA 0.368 4.708 4.340 -0.000 0.000 0.254 265 Q C -0.153 176.154 176.000 0.511 0.000 0.858 265 Q CA 0.538 56.615 55.803 0.456 0.000 0.961 265 Q CB 0.470 29.366 28.738 0.264 0.000 1.119 265 Q HN 0.537 nan 8.270 nan 0.000 0.538 266 K N 0.863 121.535 120.400 0.454 0.000 2.259 266 K HA 0.526 4.845 4.320 -0.000 0.000 0.252 266 K C -0.852 175.919 176.600 0.285 0.000 0.936 266 K CA -0.591 55.848 56.287 0.253 0.000 0.810 266 K CB 1.587 34.159 32.500 0.119 0.000 1.143 266 K HN -0.106 nan 8.250 nan 0.000 0.427 267 F N -0.613 119.286 119.950 -0.084 0.000 2.613 267 F HA 0.803 5.330 4.527 -0.000 0.000 0.310 267 F C -1.105 174.673 175.800 -0.036 0.000 1.085 267 F CA -1.324 56.530 58.000 -0.243 0.000 0.945 267 F CB 1.135 39.514 39.000 -1.036 0.000 1.298 267 F HN 0.469 nan 8.300 nan 0.000 0.455 268 A N 1.286 124.191 122.820 0.142 0.000 2.306 268 A HA 0.892 5.211 4.320 -0.000 0.000 0.330 268 A C -0.348 177.401 177.584 0.276 0.000 1.146 268 A CA -0.092 52.029 52.037 0.140 0.000 0.827 268 A CB 0.984 20.057 19.000 0.122 0.000 1.178 268 A HN 1.226 nan 8.150 nan 0.000 0.490 269 T N -2.227 112.496 114.554 0.281 0.000 2.906 269 T HA 0.748 5.098 4.350 -0.000 0.000 0.295 269 T C -0.976 173.850 174.700 0.209 0.000 1.075 269 T CA -0.735 61.541 62.100 0.294 0.000 1.005 269 T CB 1.424 70.537 68.868 0.408 0.000 1.136 269 T HN 1.204 nan 8.240 nan 0.000 0.498 270 V N -0.021 120.006 119.914 0.189 0.000 3.077 270 V HA 0.862 4.982 4.120 -0.000 0.000 0.299 270 V C 0.069 176.289 176.094 0.210 0.000 1.276 270 V CA 0.283 62.678 62.300 0.160 0.000 0.993 270 V CB 2.070 33.966 31.823 0.121 0.000 1.076 270 V HN 1.571 nan 8.190 nan 0.000 0.434 271 G N 1.720 110.648 108.800 0.212 0.000 2.561 271 G HA2 0.617 4.577 3.960 -0.000 0.000 0.310 271 G HA3 0.617 4.577 3.960 -0.000 0.000 0.310 271 G C 0.597 175.668 174.900 0.286 0.000 1.292 271 G CA 0.309 45.613 45.100 0.340 0.000 0.811 271 G HN 1.239 nan 8.290 nan 0.000 0.482 272 A N -0.272 122.766 122.820 0.363 0.000 2.131 272 A HA 0.030 4.350 4.320 -0.000 0.000 0.220 272 A C 1.483 179.139 177.584 0.120 0.000 1.158 272 A CA 2.272 54.456 52.037 0.244 0.000 0.665 272 A CB -0.520 18.641 19.000 0.268 0.000 0.795 272 A HN 0.691 nan 8.150 nan 0.000 0.460 273 D N -0.988 119.473 120.400 0.101 0.000 2.519 273 D HA 0.371 5.011 4.640 -0.000 0.000 0.238 273 D C 0.642 176.972 176.300 0.050 0.000 1.192 273 D CA 0.246 54.284 54.000 0.063 0.000 0.835 273 D CB -0.930 39.903 40.800 0.054 0.000 0.975 273 D HN 0.721 nan 8.370 nan 0.000 0.490 274 A N -0.526 122.325 122.820 0.052 0.000 2.624 274 A HA -0.175 4.145 4.320 -0.000 0.000 0.302 274 A C 0.248 177.853 177.584 0.035 0.000 1.504 274 A CA 1.202 53.261 52.037 0.037 0.000 0.804 274 A CB -2.327 16.688 19.000 0.025 0.000 1.020 274 A HN 0.376 nan 8.150 nan 0.000 0.444 275 T N -0.795 113.782 114.554 0.040 0.000 2.893 275 T HA 0.651 5.001 4.350 -0.000 0.000 0.293 275 T C -0.459 174.254 174.700 0.022 0.000 1.027 275 T CA -0.378 61.733 62.100 0.019 0.000 0.988 275 T CB 1.339 70.211 68.868 0.007 0.000 1.043 275 T HN 0.398 nan 8.240 nan 0.000 0.461 276 I N 2.860 123.424 120.570 -0.011 0.000 2.382 276 I HA 0.428 4.597 4.170 -0.000 0.000 0.285 276 I C 0.238 176.338 176.117 -0.029 0.000 1.007 276 I CA -0.446 60.856 61.300 0.003 0.000 1.142 276 I CB 1.096 39.042 38.000 -0.089 0.000 1.289 276 I HN 0.322 nan 8.210 nan 0.000 0.453 277 R N 4.422 124.879 120.500 -0.072 0.000 2.664 277 R HA 0.843 5.182 4.340 -0.000 0.000 0.286 277 R C -1.170 174.870 176.300 -0.434 0.000 0.967 277 R CA -1.038 54.853 56.100 -0.347 0.000 0.933 277 R CB 2.556 32.585 30.300 -0.451 0.000 1.146 277 R HN 0.256 nan 8.270 nan 0.000 0.468 278 V N 2.698 122.209 119.914 -0.672 0.000 2.409 278 V HA 0.397 4.517 4.120 -0.000 0.000 0.291 278 V C -1.021 174.597 176.094 -0.794 0.000 1.020 278 V CA -0.733 61.240 62.300 -0.545 0.000 0.848 278 V CB 1.017 32.647 31.823 -0.321 0.000 0.990 278 V HN 0.649 nan 8.190 nan 0.000 0.430 279 W N 1.852 122.749 121.300 -0.672 0.000 2.647 279 W HA 0.599 5.259 4.660 -0.000 0.000 0.353 279 W C -0.150 176.026 176.519 -0.572 0.000 1.080 279 W CA -0.702 56.215 57.345 -0.713 0.000 1.208 279 W CB 0.846 29.668 29.460 -1.063 0.000 1.396 279 W HN 0.411 nan 8.180 nan 0.000 0.573 280 D N 0.822 121.190 120.400 -0.053 0.000 2.440 280 D HA 0.157 4.797 4.640 -0.000 0.000 0.239 280 D C 0.994 177.348 176.300 0.090 0.000 1.084 280 D CA -0.344 53.672 54.000 0.028 0.000 0.843 280 D CB 2.038 42.850 40.800 0.020 0.000 1.097 280 D HN 0.299 nan 8.370 nan 0.000 0.531 281 V N 2.680 122.702 119.914 0.181 0.000 2.324 281 V HA -0.246 3.874 4.120 -0.000 0.000 0.250 281 V C 2.184 178.241 176.094 -0.061 0.000 1.060 281 V CA 1.948 64.300 62.300 0.087 0.000 1.042 281 V CB -1.467 30.369 31.823 0.021 0.000 0.650 281 V HN 0.511 nan 8.190 nan 0.000 0.450 282 T N 1.458 116.012 114.554 0.001 0.000 2.643 282 T HA -0.187 4.163 4.350 -0.000 0.000 0.264 282 T C 2.007 176.707 174.700 0.001 0.000 1.045 282 T CA 2.724 64.826 62.100 0.003 0.000 1.155 282 T CB -0.690 68.215 68.868 0.061 0.000 0.863 282 T HN 0.842 nan 8.240 nan 0.000 0.420 283 T N -0.736 113.830 114.554 0.019 0.000 3.067 283 T HA 0.138 4.487 4.350 -0.000 0.000 0.261 283 T C 1.350 176.066 174.700 0.026 0.000 1.110 283 T CA 1.065 63.176 62.100 0.017 0.000 1.113 283 T CB -0.307 68.570 68.868 0.016 0.000 0.917 283 T HN 0.326 nan 8.240 nan 0.000 0.499 284 S N -0.040 115.686 115.700 0.043 0.000 3.476 284 S HA -0.172 4.298 4.470 -0.000 0.000 0.309 284 S C -0.018 174.681 174.600 0.164 0.000 1.222 284 S CA 0.772 59.020 58.200 0.080 0.000 0.922 284 S CB -1.804 61.410 63.200 0.023 0.000 1.023 284 S HN 0.831 nan 8.310 nan 0.000 0.591 285 K N 0.608 121.079 120.400 0.118 0.000 2.123 285 K HA 0.518 4.838 4.320 -0.000 0.000 0.259 285 K C 0.146 176.738 176.600 -0.014 0.000 0.960 285 K CA -0.228 56.099 56.287 0.067 0.000 0.872 285 K CB 1.454 33.946 32.500 -0.014 0.000 1.079 285 K HN 0.336 nan 8.250 nan 0.000 0.440 286 C N 3.797 122.957 119.300 -0.233 0.000 2.464 286 C HA 0.177 4.637 4.460 -0.000 0.000 0.370 286 C C 1.587 176.293 174.990 -0.472 0.000 1.267 286 C CA -0.499 58.083 59.018 -0.725 0.000 1.781 286 C CB -0.806 26.288 27.740 -1.076 0.000 2.431 286 C HN 0.714 nan 8.230 nan 0.000 0.556 287 V N 4.535 124.185 119.914 -0.439 0.000 3.052 287 V HA 0.082 4.202 4.120 -0.000 0.000 0.254 287 V C 0.670 176.536 176.094 -0.380 0.000 1.100 287 V CA 1.408 63.517 62.300 -0.320 0.000 1.112 287 V CB -0.543 31.145 31.823 -0.225 0.000 0.738 287 V HN 0.918 nan 8.190 nan 0.000 0.469 288 Q N -0.048 119.437 119.800 -0.526 0.000 2.386 288 Q HA 0.480 4.820 4.340 -0.000 0.000 0.274 288 Q C -0.983 174.539 176.000 -0.797 0.000 1.011 288 Q CA -0.604 54.798 55.803 -0.669 0.000 0.867 288 Q CB 1.985 30.274 28.738 -0.748 0.000 1.409 288 Q HN 0.214 nan 8.270 nan 0.000 0.395 289 K N 2.413 122.298 120.400 -0.859 0.000 2.469 289 K HA 0.645 4.965 4.320 -0.000 0.000 0.254 289 K C -1.736 174.400 176.600 -0.773 0.000 0.939 289 K CA -0.557 55.324 56.287 -0.676 0.000 0.812 289 K CB 1.403 33.640 32.500 -0.439 0.000 1.301 289 K HN 0.570 nan 8.250 nan 0.000 0.433 290 W N 2.439 123.554 121.300 -0.308 0.000 3.097 290 W HA 0.261 4.921 4.660 -0.000 0.000 0.335 290 W C -0.694 175.685 176.519 -0.234 0.000 1.114 290 W CA -0.501 56.646 57.345 -0.330 0.000 1.231 290 W CB 1.883 30.881 29.460 -0.770 0.000 1.388 290 W HN 0.747 nan 8.180 nan 0.000 0.485 291 T N 0.111 114.722 114.554 0.094 0.000 2.930 291 T HA 0.893 5.243 4.350 -0.000 0.000 0.290 291 T C -0.929 173.821 174.700 0.083 0.000 1.052 291 T CA -0.676 61.456 62.100 0.053 0.000 1.017 291 T CB 2.440 71.318 68.868 0.017 0.000 1.137 291 T HN 0.166 nan 8.240 nan 0.000 0.511 292 L N 0.665 121.922 121.223 0.055 0.000 2.359 292 L HA 0.515 4.855 4.340 -0.000 0.000 0.256 292 L C -0.407 176.478 176.870 0.026 0.000 1.026 292 L CA -1.042 53.827 54.840 0.049 0.000 0.828 292 L CB 1.703 43.790 42.059 0.048 0.000 1.406 292 L HN 0.710 nan 8.230 nan 0.000 0.413 293 D N 0.933 121.342 120.400 0.016 0.000 2.502 293 D HA -0.030 4.610 4.640 -0.000 0.000 0.249 293 D C 0.769 177.072 176.300 0.006 0.000 1.188 293 D CA 0.626 54.631 54.000 0.007 0.000 0.890 293 D CB 0.881 41.681 40.800 -0.000 0.000 1.140 293 D HN 0.416 nan 8.370 nan 0.000 0.505 294 K N 2.384 122.789 120.400 0.008 0.000 2.211 294 K HA -0.131 4.189 4.320 -0.000 0.000 0.203 294 K C 1.698 178.302 176.600 0.007 0.000 1.050 294 K CA 0.764 57.057 56.287 0.010 0.000 0.945 294 K CB 0.170 32.677 32.500 0.012 0.000 0.732 294 K HN 0.533 nan 8.250 nan 0.000 0.451 295 Q N 0.349 120.151 119.800 0.003 0.000 2.500 295 Q HA -0.092 4.248 4.340 -0.000 0.000 0.213 295 Q C -0.077 175.922 176.000 -0.002 0.000 0.974 295 Q CA 0.795 56.599 55.803 0.001 0.000 0.918 295 Q CB 0.218 28.956 28.738 -0.000 0.000 0.980 295 Q HN 0.251 nan 8.270 nan 0.000 0.505 296 Q N 0.294 120.091 119.800 -0.005 0.000 2.348 296 Q HA 0.116 4.456 4.340 -0.000 0.000 0.265 296 Q C 0.232 176.224 176.000 -0.013 0.000 0.998 296 Q CA -0.329 55.467 55.803 -0.011 0.000 0.831 296 Q CB 1.569 30.296 28.738 -0.019 0.000 1.251 296 Q HN 0.110 nan 8.270 nan 0.000 0.456 297 L N 3.356 124.572 121.223 -0.012 0.000 2.051 297 L HA -0.153 4.187 4.340 -0.000 0.000 0.214 297 L C 1.691 178.543 176.870 -0.031 0.000 1.076 297 L CA 2.695 57.526 54.840 -0.015 0.000 0.758 297 L CB -0.661 41.392 42.059 -0.011 0.000 0.890 297 L HN 0.851 nan 8.230 nan 0.000 0.433 298 G N -1.098 107.680 108.800 -0.037 0.000 2.535 298 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.218 298 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.218 298 G C 1.263 176.130 174.900 -0.054 0.000 1.122 298 G CA 0.734 45.803 45.100 -0.053 0.000 0.769 298 G HN 0.509 nan 8.290 nan 0.000 0.549 299 N N 0.322 118.999 118.700 -0.038 0.000 2.467 299 N HA 0.030 4.770 4.740 -0.000 0.000 0.184 299 N C 0.906 176.401 175.510 -0.025 0.000 1.106 299 N CA 0.062 53.096 53.050 -0.027 0.000 0.892 299 N CB 0.087 38.569 38.487 -0.009 0.000 0.969 299 N HN 0.465 nan 8.380 nan 0.000 0.454 300 Q N 0.923 120.699 119.800 -0.040 0.000 2.315 300 Q HA 0.012 4.352 4.340 -0.000 0.000 0.289 300 Q C -0.175 175.776 176.000 -0.082 0.000 1.044 300 Q CA 0.367 56.143 55.803 -0.045 0.000 0.920 300 Q CB 0.517 29.210 28.738 -0.075 0.000 1.214 300 Q HN 0.055 nan 8.270 nan 0.000 0.392 301 Q N 2.200 121.977 119.800 -0.038 0.000 2.377 301 Q HA 0.109 4.448 4.340 -0.000 0.000 0.249 301 Q C 0.083 176.019 176.000 -0.106 0.000 1.005 301 Q CA -0.008 55.771 55.803 -0.041 0.000 0.912 301 Q CB 1.469 30.226 28.738 0.031 0.000 1.223 301 Q HN 0.493 nan 8.270 nan 0.000 0.459 302 V N 1.365 121.153 119.914 -0.210 0.000 3.649 302 V HA 0.246 4.366 4.120 -0.000 0.000 0.275 302 V C 0.625 176.654 176.094 -0.108 0.000 1.281 302 V CA 1.088 63.194 62.300 -0.324 0.000 1.143 302 V CB 0.450 32.053 31.823 -0.366 0.000 0.892 302 V HN 0.764 nan 8.190 nan 0.000 0.441 303 G N -1.506 107.274 108.800 -0.033 0.000 2.601 303 G HA2 0.559 4.519 3.960 -0.000 0.000 0.291 303 G HA3 0.559 4.519 3.960 -0.000 0.000 0.291 303 G C -2.113 172.810 174.900 0.038 0.000 1.456 303 G CA 0.041 45.154 45.100 0.023 0.000 0.804 303 G HN 0.081 nan 8.290 nan 0.000 0.499 304 V N -0.924 119.034 119.914 0.074 0.000 3.167 304 V HA 0.810 4.930 4.120 -0.000 0.000 0.293 304 V C -1.604 174.545 176.094 0.092 0.000 1.379 304 V CA -0.453 61.885 62.300 0.062 0.000 1.019 304 V CB 1.956 33.828 31.823 0.081 0.000 1.115 304 V HN 1.653 nan 8.190 nan 0.000 0.442 305 V N 4.866 124.815 119.914 0.059 0.000 2.789 305 V HA 0.850 4.969 4.120 -0.000 0.000 0.300 305 V C -0.077 176.027 176.094 0.017 0.000 1.184 305 V CA 0.192 62.547 62.300 0.091 0.000 0.930 305 V CB 1.862 33.775 31.823 0.151 0.000 1.041 305 V HN 1.814 nan 8.190 nan 0.000 0.430 306 A N 3.719 126.569 122.820 0.050 0.000 2.409 306 A HA 0.622 4.942 4.320 -0.000 0.000 0.262 306 A C 0.887 178.356 177.584 -0.193 0.000 1.113 306 A CA 0.428 52.460 52.037 -0.009 0.000 0.790 306 A CB 0.641 19.702 19.000 0.102 0.000 1.046 306 A HN 1.546 nan 8.150 nan 0.000 0.496 307 T N -0.425 113.895 114.554 -0.389 0.000 3.215 307 T HA 0.526 4.876 4.350 -0.000 0.000 0.271 307 T C 0.686 175.096 174.700 -0.484 0.000 1.012 307 T CA 0.419 61.911 62.100 -1.013 0.000 0.899 307 T CB -0.704 67.541 68.868 -1.038 0.000 1.089 307 T HN 2.477 nan 8.240 nan 0.000 0.552 308 G N 1.966 110.684 108.800 -0.136 0.000 2.719 308 G HA2 -0.036 3.924 3.960 -0.000 0.000 0.686 308 G HA3 -0.036 3.924 3.960 -0.000 0.000 0.686 308 G C -0.158 174.763 174.900 0.035 0.000 1.201 308 G CA -0.645 44.466 45.100 0.017 0.000 0.768 308 G HN 0.480 nan 8.290 nan 0.000 0.629 309 N N -0.545 118.196 118.700 0.068 0.000 2.727 309 N HA -0.181 4.559 4.740 -0.000 0.000 0.249 309 N C 1.778 177.335 175.510 0.077 0.000 1.048 309 N CA 2.907 55.999 53.050 0.071 0.000 0.714 309 N CB -1.161 37.365 38.487 0.065 0.000 0.959 309 N HN 2.664 nan 8.380 nan 0.000 0.544 310 G N -0.828 108.024 108.800 0.086 0.000 2.225 310 G HA2 -0.378 3.582 3.960 -0.000 0.000 0.254 310 G HA3 -0.378 3.582 3.960 -0.000 0.000 0.254 310 G C 0.206 175.168 174.900 0.104 0.000 0.988 310 G CA 0.532 45.697 45.100 0.108 0.000 0.625 310 G HN 0.545 nan 8.290 nan 0.000 0.527 311 R N 0.114 120.647 120.500 0.054 0.000 2.442 311 R HA 0.602 4.942 4.340 -0.000 0.000 0.291 311 R C 0.107 176.387 176.300 -0.032 0.000 1.069 311 R CA 0.282 56.392 56.100 0.017 0.000 1.022 311 R CB 0.387 30.683 30.300 -0.006 0.000 0.976 311 R HN 0.370 nan 8.270 nan 0.000 0.443 312 I N 3.917 124.457 120.570 -0.050 0.000 2.647 312 I HA 0.395 4.565 4.170 -0.000 0.000 0.295 312 I C -0.406 175.611 176.117 -0.167 0.000 1.078 312 I CA -0.707 60.548 61.300 -0.075 0.000 1.048 312 I CB 2.261 40.255 38.000 -0.011 0.000 1.239 312 I HN 0.413 nan 8.210 nan 0.000 0.421 313 I N 3.687 124.134 120.570 -0.205 0.000 2.436 313 I HA 0.312 4.482 4.170 -0.000 0.000 0.289 313 I C -0.257 175.747 176.117 -0.188 0.000 1.010 313 I CA -0.321 60.764 61.300 -0.359 0.000 1.098 313 I CB 2.052 39.747 38.000 -0.509 0.000 1.266 313 I HN 0.484 nan 8.210 nan 0.000 0.434 314 S N 6.336 121.945 115.700 -0.153 0.000 2.509 314 S HA 0.653 5.123 4.470 -0.000 0.000 0.297 314 S C -0.985 173.558 174.600 -0.094 0.000 1.118 314 S CA -0.559 57.608 58.200 -0.055 0.000 1.074 314 S CB 1.401 64.632 63.200 0.051 0.000 1.038 314 S HN 0.424 nan 8.310 nan 0.000 0.498 315 L N 4.165 125.344 121.223 -0.073 0.000 2.313 315 L HA 0.634 4.974 4.340 -0.000 0.000 0.283 315 L C -0.246 176.567 176.870 -0.094 0.000 1.013 315 L CA 0.158 54.936 54.840 -0.102 0.000 0.816 315 L CB 1.549 43.544 42.059 -0.107 0.000 1.236 315 L HN 0.640 nan 8.230 nan 0.000 0.419 316 S N 3.951 119.591 115.700 -0.100 0.000 2.616 316 S HA 0.259 4.729 4.470 -0.000 0.000 0.277 316 S C 0.931 175.457 174.600 -0.122 0.000 1.234 316 S CA -0.555 57.587 58.200 -0.097 0.000 1.028 316 S CB 1.349 64.501 63.200 -0.080 0.000 0.988 316 S HN 0.773 nan 8.310 nan 0.000 0.522 317 L N 2.725 123.869 121.223 -0.132 0.000 2.129 317 L HA -0.136 4.204 4.340 -0.000 0.000 0.212 317 L C 1.647 178.451 176.870 -0.111 0.000 1.087 317 L CA 2.056 56.811 54.840 -0.142 0.000 0.757 317 L CB -0.864 41.111 42.059 -0.140 0.000 0.896 317 L HN 0.819 nan 8.230 nan 0.000 0.434 318 D N -1.248 119.092 120.400 -0.100 0.000 2.352 318 D HA 0.096 4.736 4.640 -0.000 0.000 0.232 318 D C 1.629 177.861 176.300 -0.113 0.000 1.055 318 D CA 0.710 54.651 54.000 -0.097 0.000 0.891 318 D CB -0.537 40.207 40.800 -0.094 0.000 0.897 318 D HN 0.477 nan 8.370 nan 0.000 0.529 319 G N -0.697 108.031 108.800 -0.121 0.000 2.205 319 G HA2 -0.288 3.671 3.960 -0.000 0.000 0.261 319 G HA3 -0.288 3.671 3.960 -0.000 0.000 0.261 319 G C 0.516 175.328 174.900 -0.147 0.000 0.980 319 G CA 0.431 45.448 45.100 -0.139 0.000 0.632 319 G HN 0.502 nan 8.290 nan 0.000 0.533 320 T N 1.302 115.779 114.554 -0.127 0.000 2.926 320 T HA 0.488 4.838 4.350 -0.000 0.000 0.307 320 T C 0.576 175.210 174.700 -0.110 0.000 1.059 320 T CA 0.210 62.242 62.100 -0.113 0.000 1.122 320 T CB 1.223 70.031 68.868 -0.101 0.000 0.972 320 T HN 0.312 nan 8.240 nan 0.000 0.545 321 L N 4.091 125.264 121.223 -0.083 0.000 2.287 321 L HA 0.385 4.725 4.340 -0.000 0.000 0.287 321 L C 0.274 177.104 176.870 -0.067 0.000 1.022 321 L CA -0.736 54.040 54.840 -0.108 0.000 0.814 321 L CB 0.767 42.784 42.059 -0.070 0.000 1.217 321 L HN 0.572 nan 8.230 nan 0.000 0.420 322 N N 4.050 122.647 118.700 -0.171 0.000 2.444 322 N HA 0.359 5.098 4.740 -0.000 0.000 0.262 322 N C -1.074 174.194 175.510 -0.405 0.000 0.974 322 N CA -0.385 52.543 53.050 -0.203 0.000 0.933 322 N CB 1.609 40.047 38.487 -0.082 0.000 1.137 322 N HN 0.235 nan 8.380 nan 0.000 0.498 323 F N 2.485 122.138 119.950 -0.495 0.000 2.411 323 F HA 0.378 4.905 4.527 -0.000 0.000 0.355 323 F C 0.097 175.420 175.800 -0.796 0.000 1.117 323 F CA -0.344 57.381 58.000 -0.458 0.000 1.139 323 F CB 0.417 39.240 39.000 -0.294 0.000 1.120 323 F HN 0.345 nan 8.300 nan 0.000 0.493 324 Y N 0.523 120.606 120.300 -0.361 0.000 2.605 324 Y HA 0.527 5.077 4.550 -0.000 0.000 0.343 324 Y C -0.475 175.197 175.900 -0.379 0.000 1.036 324 Y CA -1.164 56.519 58.100 -0.694 0.000 1.065 324 Y CB 2.201 39.698 38.460 -1.605 0.000 1.288 324 Y HN 0.465 nan 8.280 nan 0.000 0.481 325 E N 1.610 121.793 120.200 -0.029 0.000 2.278 325 E HA 0.292 4.642 4.350 -0.000 0.000 0.272 325 E C -1.592 175.291 176.600 0.471 0.000 0.890 325 E CA -0.738 55.782 56.400 0.200 0.000 0.770 325 E CB 1.565 31.384 29.700 0.198 0.000 1.212 325 E HN 0.636 nan 8.360 nan 0.000 0.415 326 L N 4.550 126.021 121.223 0.413 0.000 2.628 326 L HA 0.118 4.458 4.340 -0.000 0.000 0.274 326 L C 0.910 177.924 176.870 0.239 0.000 1.209 326 L CA 2.205 57.250 54.840 0.343 0.000 0.930 326 L CB -0.068 42.105 42.059 0.190 0.000 1.183 326 L HN 1.084 nan 8.230 nan 0.000 0.492 327 G N 3.195 112.103 108.800 0.180 0.000 2.218 327 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.216 327 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.216 327 G C 0.223 175.253 174.900 0.217 0.000 0.994 327 G CA 0.245 45.423 45.100 0.131 0.000 0.637 327 G HN 0.806 nan 8.290 nan 0.000 0.505 328 H N 0.905 120.107 119.070 0.220 0.000 2.685 328 H HA 0.429 4.985 4.556 -0.000 0.000 0.307 328 H C 0.315 175.885 175.328 0.403 0.000 1.017 328 H CA -0.714 55.478 56.048 0.238 0.000 1.237 328 H CB 0.822 30.713 29.762 0.216 0.000 1.409 328 H HN 0.049 nan 8.280 nan 0.000 0.488 329 D N 3.660 124.284 120.400 0.374 0.000 2.378 329 D HA -0.081 4.559 4.640 -0.000 0.000 0.222 329 D C -0.125 176.383 176.300 0.347 0.000 0.980 329 D CA 0.939 55.088 54.000 0.249 0.000 0.907 329 D CB 0.434 41.284 40.800 0.085 0.000 0.899 329 D HN 0.698 nan 8.370 nan 0.000 0.527 330 E N 0.017 120.272 120.200 0.091 0.000 2.212 330 E HA 0.367 4.716 4.350 -0.000 0.000 0.270 330 E C -0.571 175.892 176.600 -0.228 0.000 0.956 330 E CA -0.906 55.471 56.400 -0.038 0.000 0.825 330 E CB 2.802 32.469 29.700 -0.055 0.000 1.167 330 E HN -0.228 nan 8.360 nan 0.000 0.400 331 V N 4.452 124.279 119.914 -0.145 0.000 2.521 331 V HA -0.011 4.109 4.120 -0.000 0.000 0.286 331 V C 0.898 176.751 176.094 -0.401 0.000 1.034 331 V CA 0.348 62.355 62.300 -0.489 0.000 1.045 331 V CB -0.000 31.539 31.823 -0.473 0.000 0.974 331 V HN 0.728 nan 8.190 nan 0.000 0.480 332 L N 5.644 126.610 121.223 -0.428 0.000 2.093 332 L HA 0.074 4.414 4.340 -0.000 0.000 0.208 332 L C 1.104 177.859 176.870 -0.192 0.000 1.085 332 L CA 1.584 56.295 54.840 -0.215 0.000 0.755 332 L CB -0.368 41.614 42.059 -0.129 0.000 0.904 332 L HN 0.854 nan 8.230 nan 0.000 0.435 333 K N -1.958 118.302 120.400 -0.234 0.000 2.703 333 K HA 0.236 4.556 4.320 -0.000 0.000 0.285 333 K C -1.218 175.300 176.600 -0.136 0.000 1.014 333 K CA -0.673 55.490 56.287 -0.205 0.000 0.858 333 K CB 1.484 33.806 32.500 -0.297 0.000 1.467 333 K HN -0.284 nan 8.250 nan 0.000 0.383 334 T N 1.967 116.455 114.554 -0.110 0.000 2.876 334 T HA 0.655 5.005 4.350 -0.000 0.000 0.289 334 T C -1.255 173.428 174.700 -0.028 0.000 1.014 334 T CA -0.794 61.281 62.100 -0.042 0.000 0.986 334 T CB 0.725 69.541 68.868 -0.086 0.000 1.021 334 T HN 0.485 nan 8.240 nan 0.000 0.458 335 I N 3.639 124.233 120.570 0.040 0.000 2.439 335 I HA 0.396 4.566 4.170 -0.000 0.000 0.285 335 I C 0.043 176.150 176.117 -0.018 0.000 1.021 335 I CA -0.545 60.773 61.300 0.031 0.000 1.091 335 I CB 1.995 40.071 38.000 0.128 0.000 1.242 335 I HN 0.523 nan 8.210 nan 0.000 0.439 336 S N 3.152 118.809 115.700 -0.071 0.000 2.739 336 S HA 0.987 5.457 4.470 -0.000 0.000 0.306 336 S C 0.073 174.590 174.600 -0.138 0.000 1.115 336 S CA -0.569 57.549 58.200 -0.137 0.000 0.985 336 S CB 2.319 65.391 63.200 -0.213 0.000 1.133 336 S HN 0.920 nan 8.310 nan 0.000 0.541 337 G N 0.083 108.766 108.800 -0.195 0.000 2.317 337 G HA2 0.288 4.248 3.960 -0.000 0.000 0.293 337 G HA3 0.288 4.248 3.960 -0.000 0.000 0.293 337 G C -1.983 172.802 174.900 -0.192 0.000 1.287 337 G CA -0.913 44.100 45.100 -0.145 0.000 0.850 337 G HN 0.663 nan 8.290 nan 0.000 0.515 338 H N 0.383 119.464 119.070 0.019 0.000 2.482 338 H HA 0.363 4.919 4.556 -0.000 0.000 0.344 338 H C 0.226 175.515 175.328 -0.064 0.000 1.151 338 H CA 0.389 56.415 56.048 -0.035 0.000 1.300 338 H CB 1.713 31.469 29.762 -0.011 0.000 1.494 338 H HN 0.589 nan 8.280 nan 0.000 0.542 339 N N 0.169 118.888 118.700 0.031 0.000 2.240 339 N HA 0.051 4.791 4.740 -0.000 0.000 0.240 339 N C -0.562 174.910 175.510 -0.064 0.000 1.277 339 N CA -0.321 52.716 53.050 -0.022 0.000 0.873 339 N CB 0.910 39.367 38.487 -0.049 0.000 1.222 339 N HN 0.191 nan 8.380 nan 0.000 0.507 340 K N 0.337 120.661 120.400 -0.128 0.000 2.426 340 K HA 0.565 4.884 4.320 -0.000 0.000 0.251 340 K C 0.172 176.598 176.600 -0.289 0.000 0.941 340 K CA -0.663 55.403 56.287 -0.369 0.000 0.808 340 K CB 2.005 34.061 32.500 -0.740 0.000 1.265 340 K HN 0.160 nan 8.250 nan 0.000 0.432 341 G N 1.885 110.604 108.800 -0.135 0.000 2.349 341 G HA2 0.004 3.964 3.960 -0.000 0.000 0.232 341 G HA3 0.004 3.964 3.960 -0.000 0.000 0.232 341 G C 0.105 174.975 174.900 -0.051 0.000 1.240 341 G CA -0.085 45.063 45.100 0.081 0.000 0.870 341 G HN 0.484 nan 8.290 nan 0.000 0.528 342 I N 1.857 122.352 120.570 -0.126 0.000 2.325 342 I HA 0.197 4.367 4.170 -0.000 0.000 0.291 342 I C 1.508 177.538 176.117 -0.145 0.000 1.019 342 I CA -0.135 61.033 61.300 -0.219 0.000 1.302 342 I CB 1.638 39.464 38.000 -0.289 0.000 1.401 342 I HN 0.694 nan 8.210 nan 0.000 0.485 343 T N 1.615 116.091 114.554 -0.130 0.000 3.003 343 T HA 0.514 4.863 4.350 -0.000 0.000 0.261 343 T C 0.276 174.915 174.700 -0.103 0.000 1.003 343 T CA -0.189 61.839 62.100 -0.120 0.000 0.917 343 T CB 0.502 69.280 68.868 -0.149 0.000 1.084 343 T HN 0.561 nan 8.240 nan 0.000 0.522 344 A N 0.977 123.745 122.820 -0.085 0.000 2.486 344 A HA 0.798 5.118 4.320 -0.000 0.000 0.300 344 A C -1.506 176.068 177.584 -0.016 0.000 1.048 344 A CA -0.777 51.237 52.037 -0.038 0.000 0.696 344 A CB 1.614 20.598 19.000 -0.027 0.000 1.278 344 A HN 0.395 nan 8.150 nan 0.000 0.405 345 L N 0.993 122.224 121.223 0.014 0.000 2.445 345 L HA 0.750 5.090 4.340 -0.000 0.000 0.262 345 L C -0.746 176.164 176.870 0.066 0.000 0.974 345 L CA -0.246 54.613 54.840 0.033 0.000 0.822 345 L CB 2.597 44.658 42.059 0.003 0.000 1.339 345 L HN 0.855 nan 8.230 nan 0.000 0.409 346 T N 1.772 116.375 114.554 0.082 0.000 2.896 346 T HA 0.698 5.048 4.350 -0.000 0.000 0.297 346 T C -1.618 173.143 174.700 0.102 0.000 1.108 346 T CA -0.256 61.904 62.100 0.099 0.000 1.004 346 T CB 2.258 71.187 68.868 0.103 0.000 1.159 346 T HN 0.294 nan 8.240 nan 0.000 0.499 347 V N 4.093 124.073 119.914 0.110 0.000 2.841 347 V HA 0.516 4.636 4.120 -0.000 0.000 0.310 347 V C -1.060 175.099 176.094 0.108 0.000 1.090 347 V CA -0.767 61.596 62.300 0.106 0.000 0.930 347 V CB 2.005 33.893 31.823 0.109 0.000 1.014 347 V HN 1.069 nan 8.190 nan 0.000 0.425 348 N N 2.949 121.708 118.700 0.098 0.000 2.663 348 N HA -0.097 4.643 4.740 -0.000 0.000 0.263 348 N C -2.330 173.235 175.510 0.091 0.000 1.109 348 N CA 0.555 53.659 53.050 0.091 0.000 0.701 348 N CB -0.787 37.756 38.487 0.093 0.000 0.879 348 N HN 0.586 nan 8.380 nan 0.000 0.550 349 P HA 0.236 nan 4.420 nan 0.000 0.281 349 P C 0.092 177.457 177.300 0.109 0.000 1.249 349 P CA -0.795 62.361 63.100 0.094 0.000 0.810 349 P CB 1.009 32.760 31.700 0.085 0.000 1.008 350 L N 3.117 124.419 121.223 0.132 0.000 2.418 350 L HA 0.281 4.621 4.340 -0.000 0.000 0.274 350 L C -0.383 176.644 176.870 0.263 0.000 1.135 350 L CA 0.406 55.348 54.840 0.170 0.000 0.870 350 L CB -0.739 41.404 42.059 0.140 0.000 1.154 350 L HN 0.230 nan 8.230 nan 0.000 0.462 351 I N 4.161 124.851 120.570 0.200 0.000 2.686 351 I HA 0.518 4.687 4.170 -0.000 0.000 0.295 351 I C -0.584 175.643 176.117 0.183 0.000 1.114 351 I CA -0.482 60.905 61.300 0.144 0.000 1.038 351 I CB 2.290 40.259 38.000 -0.052 0.000 1.238 351 I HN 0.677 nan 8.210 nan 0.000 0.420 352 S N 2.739 118.585 115.700 0.243 0.000 2.569 352 S HA 0.932 5.402 4.470 -0.000 0.000 0.280 352 S C -0.612 174.119 174.600 0.218 0.000 1.111 352 S CA -0.833 57.505 58.200 0.229 0.000 0.887 352 S CB 2.255 65.676 63.200 0.367 0.000 1.095 352 S HN 0.917 nan 8.310 nan 0.000 0.476 353 G N 0.787 109.627 108.800 0.066 0.000 2.662 353 G HA2 0.622 4.582 3.960 -0.000 0.000 0.302 353 G HA3 0.622 4.582 3.960 -0.000 0.000 0.302 353 G C -0.610 174.246 174.900 -0.074 0.000 1.389 353 G CA -0.705 44.452 45.100 0.095 0.000 0.998 353 G HN 1.056 nan 8.290 nan 0.000 0.502 354 S N 0.150 115.833 115.700 -0.029 0.000 2.767 354 S HA 0.431 4.900 4.470 -0.000 0.000 0.300 354 S C 0.740 175.292 174.600 -0.081 0.000 1.123 354 S CA -0.674 57.450 58.200 -0.125 0.000 0.992 354 S CB 0.928 64.045 63.200 -0.138 0.000 1.138 354 S HN 1.104 nan 8.310 nan 0.000 0.550 355 Y N 0.028 120.263 120.300 -0.109 0.000 2.584 355 Y HA 0.215 4.765 4.550 -0.000 0.000 0.317 355 Y C 0.609 176.471 175.900 -0.063 0.000 1.208 355 Y CA 0.130 58.142 58.100 -0.146 0.000 1.299 355 Y CB -0.949 37.412 38.460 -0.165 0.000 1.047 355 Y HN 0.625 nan 8.280 nan 0.000 0.506 356 D N -1.414 118.930 120.400 -0.093 0.000 2.433 356 D HA 0.224 4.864 4.640 -0.000 0.000 0.211 356 D C 1.762 178.087 176.300 0.042 0.000 1.114 356 D CA 0.244 54.232 54.000 -0.020 0.000 0.837 356 D CB -0.001 40.731 40.800 -0.114 0.000 0.984 356 D HN 0.399 nan 8.370 nan 0.000 0.505 357 G N 0.986 109.813 108.800 0.044 0.000 2.175 357 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.244 357 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.244 357 G C 0.281 175.268 174.900 0.146 0.000 0.982 357 G CA 0.017 45.183 45.100 0.109 0.000 0.641 357 G HN 0.572 nan 8.290 nan 0.000 0.527 358 R N 0.304 120.861 120.500 0.095 0.000 2.543 358 R HA 0.629 4.969 4.340 -0.000 0.000 0.277 358 R C -0.097 176.284 176.300 0.135 0.000 1.074 358 R CA -0.140 56.008 56.100 0.078 0.000 1.076 358 R CB 0.159 30.458 30.300 -0.002 0.000 0.993 358 R HN 0.293 nan 8.270 nan 0.000 0.459 359 I N 4.017 124.639 120.570 0.087 0.000 2.608 359 I HA 0.303 4.473 4.170 -0.000 0.000 0.295 359 I C -0.760 175.302 176.117 -0.092 0.000 1.049 359 I CA -1.138 60.209 61.300 0.077 0.000 1.063 359 I CB 2.192 40.234 38.000 0.069 0.000 1.248 359 I HN 0.555 nan 8.210 nan 0.000 0.424 360 M N 5.149 124.655 119.600 -0.157 0.000 2.190 360 M HA 0.327 4.807 4.480 -0.000 0.000 0.312 360 M C -0.996 174.999 176.300 -0.508 0.000 0.990 360 M CA -0.128 54.882 55.300 -0.484 0.000 0.927 360 M CB 1.399 33.547 32.600 -0.753 0.000 1.571 360 M HN 0.342 nan 8.290 nan 0.000 0.427 361 E N 3.584 123.497 120.200 -0.479 0.000 2.028 361 E HA 0.109 4.459 4.350 -0.000 0.000 0.266 361 E C -0.422 175.967 176.600 -0.351 0.000 0.962 361 E CA 0.037 56.250 56.400 -0.311 0.000 0.784 361 E CB 0.548 30.153 29.700 -0.158 0.000 1.114 361 E HN 0.813 nan 8.360 nan 0.000 0.414 362 W N 1.279 122.562 121.300 -0.028 0.000 2.595 362 W HA -0.132 4.528 4.660 -0.000 0.000 0.257 362 W C 2.429 178.937 176.519 -0.018 0.000 1.267 362 W CA 0.754 58.086 57.345 -0.022 0.000 1.300 362 W CB 0.160 29.612 29.460 -0.013 0.000 1.120 362 W HN 0.434 nan 8.180 nan 0.000 0.618 363 S N -0.518 115.270 115.700 0.146 0.000 2.522 363 S HA -0.066 4.404 4.470 -0.000 0.000 0.227 363 S C 1.421 176.049 174.600 0.047 0.000 0.986 363 S CA 0.959 59.217 58.200 0.096 0.000 0.929 363 S CB -0.517 62.729 63.200 0.078 0.000 0.769 363 S HN 0.133 nan 8.310 nan 0.000 0.529 364 S N -1.054 114.652 115.700 0.009 0.000 2.960 364 S HA 0.383 4.853 4.470 -0.000 0.000 0.256 364 S C 0.397 174.957 174.600 -0.066 0.000 1.017 364 S CA 0.191 58.380 58.200 -0.018 0.000 1.144 364 S CB -0.147 63.047 63.200 -0.010 0.000 1.109 364 S HN 0.346 nan 8.310 nan 0.000 0.638 365 S N 1.134 116.776 115.700 -0.097 0.000 3.533 365 S HA -0.147 4.323 4.470 -0.000 0.000 0.347 365 S C 0.143 174.598 174.600 -0.241 0.000 1.101 365 S CA 0.783 58.877 58.200 -0.177 0.000 1.009 365 S CB -1.971 61.170 63.200 -0.099 0.000 0.916 365 S HN 0.747 nan 8.310 nan 0.000 0.496 366 S N 1.278 116.829 115.700 -0.248 0.000 2.499 366 S HA 0.646 5.116 4.470 -0.000 0.000 0.279 366 S C 0.069 174.456 174.600 -0.355 0.000 1.219 366 S CA -0.620 57.420 58.200 -0.268 0.000 1.062 366 S CB 1.051 64.161 63.200 -0.149 0.000 0.978 366 S HN 0.537 nan 8.310 nan 0.000 0.489 367 M N 3.466 122.821 119.600 -0.409 0.000 2.243 367 M HA 0.531 5.011 4.480 -0.000 0.000 0.324 367 M C -1.189 174.879 176.300 -0.388 0.000 1.031 367 M CA 0.015 55.094 55.300 -0.369 0.000 0.949 367 M CB 1.093 33.488 32.600 -0.342 0.000 1.615 367 M HN 0.497 nan 8.290 nan 0.000 0.430 368 H N 3.089 122.067 119.070 -0.152 0.000 2.492 368 H HA 0.424 4.980 4.556 -0.000 0.000 0.345 368 H C -1.013 174.282 175.328 -0.055 0.000 1.136 368 H CA -0.609 55.397 56.048 -0.070 0.000 1.202 368 H CB 1.870 31.634 29.762 0.004 0.000 1.524 368 H HN 0.810 nan 8.280 nan 0.000 0.506 369 Q N 1.626 121.469 119.800 0.070 0.000 2.506 369 Q HA 0.121 4.461 4.340 -0.000 0.000 0.380 369 Q C -0.262 175.766 176.000 0.047 0.000 0.867 369 Q CA -0.212 55.616 55.803 0.042 0.000 1.093 369 Q CB 0.873 29.608 28.738 -0.004 0.000 1.388 369 Q HN 0.584 nan 8.270 nan 0.000 0.400 370 D N -0.496 119.936 120.400 0.053 0.000 2.201 370 D HA -0.025 4.614 4.640 -0.000 0.000 0.209 370 D C 0.450 176.708 176.300 -0.071 0.000 0.961 370 D CA 0.913 54.892 54.000 -0.035 0.000 0.861 370 D CB 0.491 41.231 40.800 -0.100 0.000 0.997 370 D HN 0.343 nan 8.370 nan 0.000 0.486 371 H N 0.251 119.365 119.070 0.074 0.000 2.546 371 H HA 0.244 4.800 4.556 -0.000 0.000 0.365 371 H C 0.864 176.233 175.328 0.068 0.000 1.220 371 H CA 0.247 56.340 56.048 0.076 0.000 1.386 371 H CB 1.391 31.202 29.762 0.081 0.000 1.510 371 H HN -0.045 nan 8.280 nan 0.000 0.591 372 S N 0.977 116.809 115.700 0.220 0.000 2.855 372 S HA 0.183 4.653 4.470 -0.000 0.000 0.249 372 S C 0.234 174.924 174.600 0.150 0.000 1.033 372 S CA -0.627 57.661 58.200 0.146 0.000 1.038 372 S CB 0.118 63.387 63.200 0.115 0.000 0.960 372 S HN 0.582 nan 8.310 nan 0.000 0.548 373 N N 0.606 119.403 118.700 0.162 0.000 3.185 373 N HA 0.260 5.000 4.740 -0.000 0.000 0.238 373 N C -1.287 174.265 175.510 0.070 0.000 1.451 373 N CA -0.703 52.444 53.050 0.162 0.000 0.888 373 N CB 1.257 39.887 38.487 0.238 0.000 1.413 373 N HN 0.299 nan 8.380 nan 0.000 0.511 374 L N 1.332 122.557 121.223 0.002 0.000 2.781 374 L HA -0.086 4.254 4.340 -0.000 0.000 0.308 374 L C -0.197 176.484 176.870 -0.314 0.000 1.240 374 L CA 0.525 55.209 54.840 -0.260 0.000 0.873 374 L CB 0.097 41.665 42.059 -0.818 0.000 1.144 374 L HN 0.342 nan 8.230 nan 0.000 0.505 375 I N 6.840 127.256 120.570 -0.256 0.000 2.287 375 I HA 0.025 4.195 4.170 -0.000 0.000 0.290 375 I C 1.156 177.130 176.117 -0.238 0.000 1.069 375 I CA -0.088 61.074 61.300 -0.230 0.000 1.237 375 I CB 0.808 38.742 38.000 -0.111 0.000 1.418 375 I HN 0.565 nan 8.210 nan 0.000 0.481 376 V N 4.889 124.656 119.914 -0.246 0.000 2.261 376 V HA -0.134 3.986 4.120 -0.000 0.000 0.246 376 V C 1.123 177.170 176.094 -0.077 0.000 1.047 376 V CA 1.679 63.876 62.300 -0.172 0.000 1.015 376 V CB -0.466 31.300 31.823 -0.094 0.000 0.642 376 V HN 0.887 nan 8.190 nan 0.000 0.446 377 S N -1.442 114.227 115.700 -0.051 0.000 2.607 377 S HA 0.746 5.216 4.470 -0.000 0.000 0.273 377 S C -1.561 173.056 174.600 0.028 0.000 1.148 377 S CA -0.748 57.453 58.200 0.002 0.000 0.833 377 S CB 2.517 65.729 63.200 0.019 0.000 1.130 377 S HN -0.002 nan 8.310 nan 0.000 0.470 378 L N 1.697 122.955 121.223 0.058 0.000 2.422 378 L HA 0.760 5.099 4.340 -0.000 0.000 0.264 378 L C -1.478 175.451 176.870 0.099 0.000 0.984 378 L CA -0.095 54.803 54.840 0.097 0.000 0.819 378 L CB 1.891 44.007 42.059 0.095 0.000 1.330 378 L HN 1.047 nan 8.230 nan 0.000 0.410 379 D N 1.392 121.860 120.400 0.114 0.000 2.788 379 D HA 0.335 4.974 4.640 -0.000 0.000 0.247 379 D C -0.154 176.291 176.300 0.241 0.000 1.236 379 D CA -0.257 53.815 54.000 0.118 0.000 0.898 379 D CB 1.329 42.129 40.800 -0.001 0.000 1.401 379 D HN 0.507 nan 8.370 nan 0.000 0.549 380 N N 1.611 120.466 118.700 0.258 0.000 2.200 380 N HA -0.025 4.715 4.740 -0.000 0.000 0.224 380 N C 1.081 176.748 175.510 0.261 0.000 1.179 380 N CA 0.194 53.424 53.050 0.301 0.000 0.877 380 N CB 0.103 38.712 38.487 0.204 0.000 1.072 380 N HN 0.214 nan 8.380 nan 0.000 0.519 381 S N 0.191 116.059 115.700 0.280 0.000 2.380 381 S HA -0.246 4.224 4.470 -0.000 0.000 0.229 381 S C 0.929 175.578 174.600 0.081 0.000 1.043 381 S CA 0.723 59.036 58.200 0.189 0.000 1.038 381 S CB -0.429 62.894 63.200 0.204 0.000 0.872 381 S HN 0.474 nan 8.310 nan 0.000 0.456 382 K N 2.090 122.474 120.400 -0.027 0.000 2.322 382 K HA 0.481 4.801 4.320 -0.000 0.000 0.283 382 K C -0.104 176.372 176.600 -0.206 0.000 1.042 382 K CA 0.020 56.080 56.287 -0.379 0.000 0.958 382 K CB 0.511 32.240 32.500 -1.284 0.000 0.984 382 K HN 0.366 nan 8.250 nan 0.000 0.473 383 A N 4.551 127.284 122.820 -0.145 0.000 2.561 383 A HA -0.027 4.293 4.320 -0.000 0.000 0.251 383 A C 0.047 177.596 177.584 -0.059 0.000 1.062 383 A CA 0.529 52.525 52.037 -0.068 0.000 0.761 383 A CB -0.234 18.733 19.000 -0.055 0.000 0.986 383 A HN 1.043 nan 8.150 nan 0.000 0.510 384 Q N -0.132 119.669 119.800 0.003 0.000 2.489 384 Q HA -0.184 4.156 4.340 -0.000 0.000 0.259 384 Q C -0.336 175.703 176.000 0.066 0.000 0.934 384 Q CA 1.877 57.701 55.803 0.035 0.000 1.131 384 Q CB -1.549 27.197 28.738 0.014 0.000 1.472 384 Q HN 0.975 nan 8.270 nan 0.000 0.560 385 E N -0.687 119.564 120.200 0.084 0.000 2.429 385 E HA 0.664 5.014 4.350 -0.000 0.000 0.276 385 E C -1.071 175.778 176.600 0.414 0.000 0.953 385 E CA -0.842 55.658 56.400 0.168 0.000 0.787 385 E CB 1.766 31.451 29.700 -0.025 0.000 1.307 385 E HN 0.217 nan 8.360 nan 0.000 0.458 386 Y N -2.010 118.480 120.300 0.316 0.000 2.562 386 Y HA 0.697 5.246 4.550 -0.000 0.000 0.345 386 Y C -0.985 175.007 175.900 0.153 0.000 1.045 386 Y CA -1.007 57.261 58.100 0.280 0.000 1.028 386 Y CB 1.942 40.471 38.460 0.116 0.000 1.297 386 Y HN 0.341 nan 8.280 nan 0.000 0.463 387 S N 2.293 117.979 115.700 -0.024 0.000 2.519 387 S HA 0.741 5.210 4.470 -0.000 0.000 0.309 387 S C -1.084 173.509 174.600 -0.012 0.000 1.100 387 S CA -0.261 57.779 58.200 -0.265 0.000 1.059 387 S CB 0.510 63.282 63.200 -0.715 0.000 1.008 387 S HN 1.116 nan 8.310 nan 0.000 0.478 388 S N 4.988 120.730 115.700 0.070 0.000 2.513 388 S HA 0.768 5.238 4.470 -0.000 0.000 0.299 388 S C -0.759 173.920 174.600 0.133 0.000 1.087 388 S CA -0.814 57.487 58.200 0.167 0.000 1.012 388 S CB 1.007 64.427 63.200 0.365 0.000 1.044 388 S HN 0.675 nan 8.310 nan 0.000 0.485 389 I N 2.015 122.595 120.570 0.017 0.000 2.465 389 I HA 0.606 4.776 4.170 -0.000 0.000 0.291 389 I C -0.118 175.900 176.117 -0.166 0.000 1.014 389 I CA -0.440 60.872 61.300 0.020 0.000 1.093 389 I CB 2.174 40.205 38.000 0.051 0.000 1.267 389 I HN 0.803 nan 8.210 nan 0.000 0.431 390 S N 3.995 119.599 115.700 -0.159 0.000 2.632 390 S HA 0.402 4.872 4.470 -0.000 0.000 0.289 390 S C -0.306 174.365 174.600 0.118 0.000 1.115 390 S CA -0.504 57.590 58.200 -0.177 0.000 0.889 390 S CB 1.299 64.219 63.200 -0.465 0.000 1.116 390 S HN 0.584 nan 8.310 nan 0.000 0.486 391 W N 1.872 123.130 121.300 -0.070 0.000 2.961 391 W HA 0.129 4.789 4.660 -0.000 0.000 0.240 391 W C 1.055 177.584 176.519 0.016 0.000 1.305 391 W CA 0.348 57.672 57.345 -0.035 0.000 1.465 391 W CB -0.709 28.740 29.460 -0.018 0.000 1.135 391 W HN 0.824 nan 8.180 nan 0.000 0.688 392 D N -1.075 119.478 120.400 0.255 0.000 2.325 392 D HA -0.081 4.559 4.640 -0.000 0.000 0.234 392 D C 0.126 176.553 176.300 0.212 0.000 1.122 392 D CA 0.352 54.481 54.000 0.214 0.000 0.850 392 D CB -0.683 40.251 40.800 0.224 0.000 0.921 392 D HN -0.012 nan 8.370 nan 0.000 0.513 393 D N -0.204 120.332 120.400 0.227 0.000 2.945 393 D HA -0.157 4.482 4.640 -0.000 0.000 0.225 393 D C -0.191 176.399 176.300 0.484 0.000 1.158 393 D CA 1.521 55.703 54.000 0.305 0.000 0.805 393 D CB -2.025 38.901 40.800 0.210 0.000 1.098 393 D HN 0.606 nan 8.370 nan 0.000 0.426 394 T N -2.578 112.252 114.554 0.461 0.000 2.901 394 T HA 0.697 5.047 4.350 -0.000 0.000 0.293 394 T C -0.318 174.692 174.700 0.516 0.000 1.084 394 T CA -1.047 61.299 62.100 0.410 0.000 1.008 394 T CB 2.967 71.991 68.868 0.261 0.000 1.170 394 T HN 0.149 nan 8.240 nan 0.000 0.509 395 L N 1.275 122.712 121.223 0.358 0.000 2.343 395 L HA 0.667 5.007 4.340 -0.000 0.000 0.278 395 L C -0.750 176.224 176.870 0.173 0.000 0.996 395 L CA -0.703 54.323 54.840 0.310 0.000 0.831 395 L CB 1.217 43.397 42.059 0.202 0.000 1.232 395 L HN 0.727 nan 8.230 nan 0.000 0.413 396 K N 3.654 124.165 120.400 0.185 0.000 2.208 396 K HA 0.689 5.009 4.320 -0.000 0.000 0.247 396 K C -1.373 175.167 176.600 -0.100 0.000 0.953 396 K CA -0.807 55.484 56.287 0.006 0.000 0.837 396 K CB 2.673 35.091 32.500 -0.136 0.000 1.131 396 K HN 0.334 nan 8.250 nan 0.000 0.431 397 V N 3.648 123.465 119.914 -0.162 0.000 2.409 397 V HA 0.173 4.293 4.120 -0.000 0.000 0.290 397 V C -0.675 175.240 176.094 -0.298 0.000 1.017 397 V CA -1.046 61.128 62.300 -0.210 0.000 0.841 397 V CB 1.024 32.813 31.823 -0.057 0.000 1.003 397 V HN 0.868 nan 8.190 nan 0.000 0.426 398 N N 3.991 122.303 118.700 -0.647 0.000 2.708 398 N HA -0.196 4.544 4.740 -0.000 0.000 0.255 398 N C 1.225 176.535 175.510 -0.333 0.000 1.046 398 N CA 1.324 54.018 53.050 -0.594 0.000 0.715 398 N CB -1.011 37.343 38.487 -0.222 0.000 0.895 398 N HN 1.547 nan 8.380 nan 0.000 0.545 399 G N -1.083 107.488 108.800 -0.381 0.000 2.175 399 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.265 399 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.265 399 G C 0.155 174.964 174.900 -0.152 0.000 0.979 399 G CA 0.793 45.773 45.100 -0.199 0.000 0.663 399 G HN 0.598 nan 8.290 nan 0.000 0.533 400 I N 1.092 121.572 120.570 -0.149 0.000 2.378 400 I HA 0.295 4.465 4.170 -0.000 0.000 0.291 400 I C 0.510 176.578 176.117 -0.082 0.000 0.992 400 I CA -0.795 60.449 61.300 -0.094 0.000 1.154 400 I CB 1.916 39.877 38.000 -0.066 0.000 1.315 400 I HN -0.061 nan 8.210 nan 0.000 0.448 401 T N 6.425 120.944 114.554 -0.059 0.000 2.853 401 T HA 0.116 4.466 4.350 -0.000 0.000 0.298 401 T C 0.898 175.582 174.700 -0.026 0.000 0.978 401 T CA -0.079 62.003 62.100 -0.030 0.000 1.152 401 T CB 0.450 69.306 68.868 -0.021 0.000 0.914 401 T HN 0.454 nan 8.240 nan 0.000 0.539 402 K N 1.948 122.341 120.400 -0.011 0.000 2.438 402 K HA 0.158 4.478 4.320 -0.000 0.000 0.206 402 K C -0.155 176.455 176.600 0.017 0.000 1.081 402 K CA -0.136 56.147 56.287 -0.006 0.000 1.053 402 K CB 0.557 33.054 32.500 -0.006 0.000 0.908 402 K HN 0.759 nan 8.250 nan 0.000 0.556 403 H N 0.098 119.086 119.070 -0.136 0.000 3.129 403 H HA 0.230 4.786 4.556 -0.000 0.000 0.342 403 H C -1.620 173.534 175.328 -0.290 0.000 1.092 403 H CA -0.329 55.563 56.048 -0.260 0.000 1.310 403 H CB 1.147 30.656 29.762 -0.422 0.000 1.932 403 H HN -0.108 nan 8.280 nan 0.000 0.507 404 E N 4.950 124.618 120.200 -0.887 0.000 2.155 404 E HA 0.219 4.569 4.350 -0.000 0.000 0.264 404 E C -0.842 175.370 176.600 -0.647 0.000 0.886 404 E CA -0.743 55.363 56.400 -0.490 0.000 0.752 404 E CB 1.704 31.252 29.700 -0.254 0.000 1.133 404 E HN 0.262 nan 8.360 nan 0.000 0.414 405 F N 0.592 120.493 119.950 -0.082 0.000 2.443 405 F HA 0.208 4.735 4.527 -0.000 0.000 0.353 405 F C 1.677 177.482 175.800 0.008 0.000 1.101 405 F CA -0.062 57.975 58.000 0.063 0.000 1.226 405 F CB 0.990 40.079 39.000 0.148 0.000 1.140 405 F HN 0.649 nan 8.300 nan 0.000 0.557 406 G N 0.679 109.599 108.800 0.199 0.000 2.551 406 G HA2 -0.013 3.947 3.960 -0.000 0.000 0.216 406 G HA3 -0.013 3.947 3.960 -0.000 0.000 0.216 406 G C 0.246 175.210 174.900 0.107 0.000 1.137 406 G CA 0.362 45.524 45.100 0.104 0.000 0.798 406 G HN 0.506 nan 8.290 nan 0.000 0.536 407 S N -0.648 115.145 115.700 0.154 0.000 2.538 407 S HA 0.420 4.890 4.470 -0.000 0.000 0.288 407 S C -0.471 174.147 174.600 0.030 0.000 1.108 407 S CA -0.634 57.607 58.200 0.069 0.000 0.971 407 S CB 1.522 64.747 63.200 0.043 0.000 1.041 407 S HN 0.278 nan 8.310 nan 0.000 0.483 408 Q N 3.989 123.757 119.800 -0.052 0.000 2.315 408 Q HA 0.128 4.467 4.340 -0.000 0.000 0.289 408 Q C -2.160 173.716 176.000 -0.206 0.000 1.044 408 Q CA -1.096 54.623 55.803 -0.140 0.000 0.920 408 Q CB 0.525 29.122 28.738 -0.235 0.000 1.214 408 Q HN 0.404 nan 8.270 nan 0.000 0.392 409 P HA 0.075 nan 4.420 nan 0.000 0.280 409 P C -0.584 176.703 177.300 -0.021 0.000 1.386 409 P CA 0.034 62.964 63.100 -0.282 0.000 0.899 409 P CB 0.814 32.175 31.700 -0.564 0.000 1.098 410 K N 1.971 122.354 120.400 -0.028 0.000 1.978 410 K HA -0.061 4.259 4.320 -0.000 0.000 0.214 410 K C 1.157 177.874 176.600 0.195 0.000 1.049 410 K CA 1.821 58.159 56.287 0.084 0.000 0.939 410 K CB -0.182 32.324 32.500 0.011 0.000 0.721 410 K HN 0.448 nan 8.250 nan 0.000 0.441 411 V N -4.495 115.464 119.914 0.075 0.000 3.188 411 V HA 0.837 4.957 4.120 -0.000 0.000 0.305 411 V C -1.493 174.603 176.094 0.003 0.000 1.232 411 V CA -0.992 61.343 62.300 0.059 0.000 1.043 411 V CB 1.919 33.777 31.823 0.058 0.000 1.068 411 V HN 0.154 nan 8.190 nan 0.000 0.439 412 A N 1.056 123.878 122.820 0.003 0.000 2.594 412 A HA 0.989 5.309 4.320 -0.000 0.000 0.291 412 A C -0.591 176.999 177.584 0.010 0.000 1.105 412 A CA -0.071 51.963 52.037 -0.007 0.000 0.694 412 A CB 1.792 20.784 19.000 -0.013 0.000 1.291 412 A HN 2.272 nan 8.150 nan 0.000 0.410 413 S N -0.506 115.203 115.700 0.015 0.000 2.603 413 S HA 0.703 5.173 4.470 -0.000 0.000 0.274 413 S C -0.824 173.809 174.600 0.055 0.000 1.168 413 S CA 0.261 58.481 58.200 0.034 0.000 0.963 413 S CB 1.181 64.386 63.200 0.009 0.000 1.078 413 S HN 2.240 nan 8.310 nan 0.000 0.477 414 A N 3.839 126.705 122.820 0.076 0.000 2.340 414 A HA 0.782 5.102 4.320 -0.000 0.000 0.331 414 A C 0.217 177.872 177.584 0.118 0.000 1.140 414 A CA -0.817 51.276 52.037 0.092 0.000 0.801 414 A CB 0.813 19.856 19.000 0.072 0.000 1.234 414 A HN 0.969 nan 8.150 nan 0.000 0.469 415 N N 1.004 119.789 118.700 0.142 0.000 2.694 415 N HA 0.216 4.956 4.740 -0.000 0.000 0.303 415 N C 0.059 175.657 175.510 0.146 0.000 1.364 415 N CA -0.290 52.849 53.050 0.148 0.000 0.862 415 N CB 0.144 38.729 38.487 0.162 0.000 1.107 415 N HN 0.403 nan 8.380 nan 0.000 0.512 416 N N -1.194 117.592 118.700 0.143 0.000 2.220 416 N HA 0.087 4.827 4.740 -0.000 0.000 0.195 416 N C -0.797 174.779 175.510 0.110 0.000 1.123 416 N CA 0.162 53.287 53.050 0.125 0.000 0.874 416 N CB 0.262 38.814 38.487 0.108 0.000 0.995 416 N HN 0.497 nan 8.380 nan 0.000 0.498 417 D N 0.338 120.816 120.400 0.130 0.000 2.587 417 D HA 0.202 4.842 4.640 -0.000 0.000 0.233 417 D C 0.904 177.099 176.300 -0.174 0.000 1.213 417 D CA -0.135 53.907 54.000 0.071 0.000 0.827 417 D CB -0.079 40.854 40.800 0.222 0.000 1.006 417 D HN 0.190 nan 8.370 nan 0.000 0.490 418 G N 0.712 109.469 108.800 -0.071 0.000 2.198 418 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.260 418 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.260 418 G C -0.052 174.618 174.900 -0.384 0.000 1.025 418 G CA -0.116 44.908 45.100 -0.127 0.000 0.769 418 G HN 0.356 nan 8.290 nan 0.000 0.507 419 F N -0.321 119.667 119.950 0.063 0.000 2.522 419 F HA 0.702 5.229 4.527 -0.000 0.000 0.324 419 F C 0.510 176.311 175.800 0.002 0.000 1.077 419 F CA -0.743 57.269 58.000 0.019 0.000 0.944 419 F CB 2.600 41.610 39.000 0.017 0.000 1.175 419 F HN -0.023 nan 8.300 nan 0.000 0.468 420 T N 1.927 116.598 114.554 0.195 0.000 2.928 420 T HA 0.633 4.983 4.350 -0.000 0.000 0.296 420 T C -0.895 173.846 174.700 0.068 0.000 1.000 420 T CA -0.666 61.490 62.100 0.094 0.000 0.989 420 T CB 1.537 70.427 68.868 0.037 0.000 1.005 420 T HN 0.686 nan 8.240 nan 0.000 0.442 421 A N 3.166 126.008 122.820 0.038 0.000 2.260 421 A HA 0.763 5.083 4.320 -0.000 0.000 0.308 421 A C -0.323 177.253 177.584 -0.014 0.000 1.254 421 A CA -0.494 51.539 52.037 -0.006 0.000 0.874 421 A CB 0.384 19.368 19.000 -0.026 0.000 1.153 421 A HN 0.678 nan 8.150 nan 0.000 0.527 422 V N 3.766 123.667 119.914 -0.022 0.000 2.680 422 V HA 0.464 4.584 4.120 -0.000 0.000 0.309 422 V C -0.296 175.763 176.094 -0.058 0.000 1.052 422 V CA -0.458 61.820 62.300 -0.038 0.000 0.908 422 V CB 1.692 33.499 31.823 -0.026 0.000 1.001 422 V HN 0.778 nan 8.190 nan 0.000 0.431 423 L N 4.109 125.293 121.223 -0.065 0.000 2.313 423 L HA 0.673 5.013 4.340 -0.000 0.000 0.283 423 L C 0.350 177.179 176.870 -0.069 0.000 1.013 423 L CA -0.327 54.476 54.840 -0.061 0.000 0.816 423 L CB 2.117 44.149 42.059 -0.045 0.000 1.236 423 L HN 0.836 nan 8.230 nan 0.000 0.419 424 T N -2.290 112.228 114.554 -0.060 0.000 2.952 424 T HA 0.263 4.613 4.350 -0.000 0.000 0.286 424 T C 0.827 175.491 174.700 -0.060 0.000 1.024 424 T CA -0.816 61.243 62.100 -0.069 0.000 1.029 424 T CB 1.453 70.301 68.868 -0.032 0.000 1.094 424 T HN 0.378 nan 8.240 nan 0.000 0.515 425 N N 0.557 119.210 118.700 -0.080 0.000 2.430 425 N HA -0.071 4.669 4.740 -0.000 0.000 0.186 425 N C 0.612 176.091 175.510 -0.051 0.000 1.032 425 N CA 0.785 53.786 53.050 -0.082 0.000 0.893 425 N CB -0.307 38.111 38.487 -0.116 0.000 0.957 425 N HN 0.592 nan 8.380 nan 0.000 0.442 426 D N 0.359 120.739 120.400 -0.034 0.000 2.328 426 D HA 0.028 4.668 4.640 -0.000 0.000 0.221 426 D C -0.418 175.873 176.300 -0.015 0.000 1.072 426 D CA 0.128 54.117 54.000 -0.019 0.000 0.850 426 D CB 0.113 40.910 40.800 -0.005 0.000 0.922 426 D HN 0.070 nan 8.370 nan 0.000 0.516 427 D N 0.843 121.230 120.400 -0.021 0.000 2.873 427 D HA -0.137 4.503 4.640 -0.000 0.000 0.228 427 D C -0.679 175.608 176.300 -0.022 0.000 1.122 427 D CA 0.709 54.698 54.000 -0.018 0.000 0.758 427 D CB -0.988 39.806 40.800 -0.009 0.000 1.094 427 D HN 0.291 nan 8.370 nan 0.000 0.434 428 D N 0.548 120.932 120.400 -0.027 0.000 2.198 428 D HA 0.415 5.055 4.640 -0.000 0.000 0.247 428 D C 0.151 176.412 176.300 -0.065 0.000 1.010 428 D CA -0.454 53.524 54.000 -0.036 0.000 0.880 428 D CB 1.990 42.784 40.800 -0.009 0.000 1.209 428 D HN 0.030 nan 8.370 nan 0.000 0.451 429 L N 3.916 125.071 121.223 -0.114 0.000 2.276 429 L HA 0.414 4.753 4.340 -0.000 0.000 0.286 429 L C -1.209 175.580 176.870 -0.135 0.000 1.024 429 L CA -0.440 54.298 54.840 -0.170 0.000 0.826 429 L CB 0.413 42.262 42.059 -0.350 0.000 1.211 429 L HN 0.228 nan 8.230 nan 0.000 0.422 430 L N 5.394 126.571 121.223 -0.077 0.000 2.330 430 L HA 0.566 4.906 4.340 -0.000 0.000 0.271 430 L C -0.562 176.279 176.870 -0.048 0.000 1.013 430 L CA -0.879 53.935 54.840 -0.042 0.000 0.816 430 L CB 2.392 44.470 42.059 0.032 0.000 1.287 430 L HN 0.434 nan 8.230 nan 0.000 0.435 431 I N 3.563 124.105 120.570 -0.048 0.000 2.411 431 I HA 0.393 4.563 4.170 -0.000 0.000 0.284 431 I C -0.491 175.636 176.117 0.017 0.000 1.012 431 I CA -0.322 60.959 61.300 -0.032 0.000 1.119 431 I CB 1.518 39.462 38.000 -0.094 0.000 1.261 431 I HN 0.348 nan 8.210 nan 0.000 0.448 432 L N 5.302 126.558 121.223 0.055 0.000 2.322 432 L HA 0.444 4.784 4.340 -0.000 0.000 0.269 432 L C 0.455 177.412 176.870 0.145 0.000 1.012 432 L CA -0.568 54.297 54.840 0.041 0.000 0.815 432 L CB 0.913 42.938 42.059 -0.058 0.000 1.295 432 L HN 0.421 nan 8.230 nan 0.000 0.438 433 Q N 0.127 119.979 119.800 0.087 0.000 2.389 433 Q HA 0.178 4.518 4.340 -0.000 0.000 0.244 433 Q C 0.880 176.834 176.000 -0.077 0.000 1.056 433 Q CA -0.070 55.746 55.803 0.023 0.000 0.908 433 Q CB 0.757 29.506 28.738 0.019 0.000 1.273 433 Q HN 0.781 nan 8.270 nan 0.000 0.471 434 S N 2.420 118.031 115.700 -0.148 0.000 2.409 434 S HA -0.228 4.242 4.470 -0.000 0.000 0.237 434 S C 0.734 174.992 174.600 -0.571 0.000 1.060 434 S CA 1.589 59.571 58.200 -0.363 0.000 1.052 434 S CB -0.149 62.756 63.200 -0.492 0.000 0.871 434 S HN 0.602 nan 8.310 nan 0.000 0.465 435 F N 0.958 120.866 119.950 -0.071 0.000 2.664 435 F HA 0.199 4.725 4.527 -0.000 0.000 0.303 435 F C 2.091 177.857 175.800 -0.057 0.000 1.092 435 F CA 0.481 58.442 58.000 -0.065 0.000 1.305 435 F CB 0.112 39.068 39.000 -0.075 0.000 1.054 435 F HN 0.303 nan 8.300 nan 0.000 0.565 436 T N -5.564 109.014 114.554 0.041 0.000 2.966 436 T HA 0.399 4.749 4.350 -0.000 0.000 0.254 436 T C 1.750 176.450 174.700 0.000 0.000 0.961 436 T CA 0.574 62.691 62.100 0.029 0.000 0.915 436 T CB 0.571 69.455 68.868 0.028 0.000 1.186 436 T HN 0.223 nan 8.240 nan 0.000 0.505 437 G N 1.845 110.624 108.800 -0.034 0.000 2.176 437 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.253 437 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.253 437 G C -0.408 174.442 174.900 -0.082 0.000 0.979 437 G CA 0.061 45.126 45.100 -0.058 0.000 0.641 437 G HN 0.612 nan 8.290 nan 0.000 0.530 438 D N 0.509 120.890 120.400 -0.033 0.000 2.389 438 D HA 0.389 5.028 4.640 -0.000 0.000 0.247 438 D C 1.019 177.288 176.300 -0.051 0.000 1.128 438 D CA 0.127 54.118 54.000 -0.016 0.000 0.884 438 D CB 0.920 41.731 40.800 0.018 0.000 1.194 438 D HN 0.336 nan 8.370 nan 0.000 0.441 439 I N 3.115 123.651 120.570 -0.056 0.000 2.301 439 I HA 0.122 4.292 4.170 -0.000 0.000 0.292 439 I C 1.727 177.841 176.117 -0.004 0.000 1.046 439 I CA -0.387 60.881 61.300 -0.053 0.000 1.282 439 I CB 0.774 38.746 38.000 -0.047 0.000 1.409 439 I HN 0.364 nan 8.210 nan 0.000 0.484 440 I N 3.802 124.379 120.570 0.011 0.000 3.427 440 I HA 0.196 4.366 4.170 -0.000 0.000 0.288 440 I C 0.545 176.654 176.117 -0.013 0.000 1.249 440 I CA 0.315 61.625 61.300 0.016 0.000 1.421 440 I CB -0.020 38.010 38.000 0.051 0.000 1.086 440 I HN 0.544 nan 8.210 nan 0.000 0.448 441 K N 1.673 122.055 120.400 -0.031 0.000 2.598 441 K HA 0.568 4.888 4.320 -0.000 0.000 0.271 441 K C -1.323 175.242 176.600 -0.059 0.000 0.947 441 K CA -0.336 55.924 56.287 -0.046 0.000 0.854 441 K CB 1.937 34.397 32.500 -0.066 0.000 1.401 441 K HN 0.216 nan 8.250 nan 0.000 0.415 442 S N -0.064 115.602 115.700 -0.057 0.000 2.588 442 S HA 0.719 5.189 4.470 -0.000 0.000 0.269 442 S C -1.539 173.018 174.600 -0.073 0.000 1.157 442 S CA -0.685 57.472 58.200 -0.072 0.000 0.824 442 S CB 1.935 65.112 63.200 -0.038 0.000 1.126 442 S HN 0.902 nan 8.310 nan 0.000 0.464 443 V N 0.607 120.461 119.914 -0.099 0.000 2.969 443 V HA 0.761 4.881 4.120 -0.000 0.000 0.304 443 V C -1.334 174.721 176.094 -0.065 0.000 1.192 443 V CA -0.653 61.602 62.300 -0.075 0.000 0.962 443 V CB 2.195 33.962 31.823 -0.094 0.000 1.045 443 V HN 1.166 nan 8.190 nan 0.000 0.428 444 R N 5.151 125.638 120.500 -0.021 0.000 2.347 444 R HA 0.521 4.861 4.340 -0.000 0.000 0.304 444 R C -0.982 175.324 176.300 0.009 0.000 1.072 444 R CA -0.012 56.083 56.100 -0.009 0.000 0.980 444 R CB 0.153 30.455 30.300 0.004 0.000 0.986 444 R HN 0.742 nan 8.270 nan 0.000 0.448 445 L N 4.472 125.698 121.223 0.005 0.000 2.395 445 L HA 0.258 4.598 4.340 -0.000 0.000 0.269 445 L C 1.305 178.199 176.870 0.040 0.000 1.133 445 L CA -0.126 54.738 54.840 0.040 0.000 0.812 445 L CB 0.930 43.005 42.059 0.027 0.000 1.125 445 L HN 0.791 nan 8.230 nan 0.000 0.452 446 N N 0.068 118.801 118.700 0.055 0.000 2.550 446 N HA -0.073 4.667 4.740 -0.000 0.000 0.186 446 N C -0.018 175.507 175.510 0.025 0.000 1.110 446 N CA 0.280 53.352 53.050 0.036 0.000 0.912 446 N CB 0.293 38.801 38.487 0.035 0.000 0.968 446 N HN 0.662 nan 8.380 nan 0.000 0.448 447 S N -0.389 115.327 115.700 0.027 0.000 2.567 447 S HA 0.387 4.857 4.470 -0.000 0.000 0.270 447 S C -3.130 171.479 174.600 0.015 0.000 1.152 447 S CA -1.350 56.861 58.200 0.018 0.000 0.835 447 S CB 1.863 65.075 63.200 0.019 0.000 1.115 447 S HN -0.264 nan 8.310 nan 0.000 0.459 448 P HA 0.348 nan 4.420 nan 0.000 0.267 448 P C -0.172 177.134 177.300 0.009 0.000 1.200 448 P CA 0.232 63.334 63.100 0.002 0.000 0.772 448 P CB 0.275 31.973 31.700 -0.003 0.000 0.855 449 G N 0.149 108.952 108.800 0.005 0.000 2.415 449 G HA2 0.428 4.388 3.960 -0.000 0.000 0.327 449 G HA3 0.428 4.388 3.960 -0.000 0.000 0.327 449 G C 0.414 175.322 174.900 0.012 0.000 1.182 449 G CA -0.459 44.648 45.100 0.012 0.000 0.924 449 G HN 0.443 nan 8.290 nan 0.000 0.470 450 S N -0.150 115.563 115.700 0.023 0.000 2.559 450 S HA 0.638 5.108 4.470 -0.000 0.000 0.226 450 S C 0.587 175.208 174.600 0.035 0.000 1.000 450 S CA 0.377 58.597 58.200 0.033 0.000 0.948 450 S CB 0.506 63.731 63.200 0.042 0.000 0.870 450 S HN 1.633 nan 8.310 nan 0.000 0.497 451 A N 0.689 123.518 122.820 0.015 0.000 2.577 451 A HA 0.681 5.001 4.320 -0.000 0.000 0.297 451 A C -1.199 176.358 177.584 -0.046 0.000 1.060 451 A CA -0.707 51.319 52.037 -0.018 0.000 0.697 451 A CB 1.258 20.251 19.000 -0.011 0.000 1.281 451 A HN 0.681 nan 8.150 nan 0.000 0.402 452 V N -0.145 119.713 119.914 -0.093 0.000 2.876 452 V HA 0.930 5.050 4.120 -0.000 0.000 0.312 452 V C -0.004 176.017 176.094 -0.121 0.000 1.085 452 V CA -0.604 61.650 62.300 -0.077 0.000 0.945 452 V CB 1.857 33.650 31.823 -0.051 0.000 1.017 452 V HN 1.327 nan 8.190 nan 0.000 0.428 453 S N 2.742 118.409 115.700 -0.055 0.000 2.677 453 S HA 0.706 5.176 4.470 -0.000 0.000 0.283 453 S C -1.553 173.068 174.600 0.034 0.000 1.159 453 S CA -0.414 57.771 58.200 -0.024 0.000 1.001 453 S CB 1.281 64.481 63.200 0.001 0.000 1.032 453 S HN 0.881 nan 8.310 nan 0.000 0.487 454 L N 5.697 126.952 121.223 0.053 0.000 2.298 454 L HA 0.729 5.069 4.340 -0.000 0.000 0.284 454 L C 0.208 177.137 176.870 0.099 0.000 1.013 454 L CA 0.167 55.050 54.840 0.072 0.000 0.824 454 L CB 1.462 43.560 42.059 0.065 0.000 1.221 454 L HN 0.796 nan 8.230 nan 0.000 0.418 455 S N 2.595 118.362 115.700 0.111 0.000 2.677 455 S HA 0.306 4.776 4.470 -0.000 0.000 0.290 455 S C 0.830 175.488 174.600 0.097 0.000 1.124 455 S CA -0.037 58.234 58.200 0.117 0.000 1.017 455 S CB 0.735 64.024 63.200 0.148 0.000 1.215 455 S HN 0.733 nan 8.310 nan 0.000 0.524 456 Q N 0.318 120.170 119.800 0.087 0.000 2.124 456 Q HA -0.105 4.235 4.340 -0.000 0.000 0.202 456 Q C 0.695 176.686 176.000 -0.015 0.000 0.977 456 Q CA 2.042 57.880 55.803 0.059 0.000 0.850 456 Q CB -0.268 28.503 28.738 0.055 0.000 0.901 456 Q HN 0.837 nan 8.270 nan 0.000 0.429 457 N N -2.287 116.371 118.700 -0.070 0.000 2.143 457 N HA 0.159 4.899 4.740 -0.000 0.000 0.222 457 N C -1.198 174.018 175.510 -0.491 0.000 1.264 457 N CA -0.170 52.700 53.050 -0.300 0.000 0.897 457 N CB 0.927 39.157 38.487 -0.429 0.000 1.092 457 N HN 0.054 nan 8.380 nan 0.000 0.516 458 Y N -0.271 120.037 120.300 0.013 0.000 2.602 458 Y HA 0.657 5.207 4.550 -0.000 0.000 0.342 458 Y C -0.473 175.434 175.900 0.011 0.000 1.029 458 Y CA -1.256 56.851 58.100 0.011 0.000 1.080 458 Y CB 1.780 40.245 38.460 0.008 0.000 1.284 458 Y HN -0.371 nan 8.280 nan 0.000 0.485 459 V N 1.497 121.543 119.914 0.220 0.000 2.445 459 V HA 0.663 4.783 4.120 -0.000 0.000 0.283 459 V C -0.576 175.622 176.094 0.173 0.000 1.014 459 V CA -1.035 61.352 62.300 0.145 0.000 0.852 459 V CB 0.981 32.856 31.823 0.086 0.000 1.021 459 V HN 0.834 nan 8.190 nan 0.000 0.435 460 A N 4.664 127.537 122.820 0.088 0.000 2.260 460 A HA 0.827 5.147 4.320 -0.000 0.000 0.308 460 A C -0.441 177.173 177.584 0.049 0.000 1.254 460 A CA -0.430 51.628 52.037 0.034 0.000 0.874 460 A CB 0.973 19.968 19.000 -0.008 0.000 1.153 460 A HN 0.725 nan 8.150 nan 0.000 0.527 461 V N 2.444 122.409 119.914 0.085 0.000 2.495 461 V HA 0.613 4.733 4.120 -0.000 0.000 0.298 461 V C 0.880 176.999 176.094 0.041 0.000 1.031 461 V CA -0.342 62.003 62.300 0.075 0.000 0.871 461 V CB 1.788 33.701 31.823 0.150 0.000 0.988 461 V HN 1.074 nan 8.190 nan 0.000 0.432 462 G N 4.920 113.736 108.800 0.026 0.000 2.333 462 G HA2 0.581 4.541 3.960 -0.000 0.000 0.290 462 G HA3 0.581 4.541 3.960 -0.000 0.000 0.290 462 G C -0.687 174.233 174.900 0.033 0.000 1.150 462 G CA -0.381 44.736 45.100 0.029 0.000 0.895 462 G HN 0.595 nan 8.290 nan 0.000 0.444 463 L N 2.409 123.651 121.223 0.030 0.000 2.307 463 L HA 0.321 4.661 4.340 -0.000 0.000 0.284 463 L C 1.228 178.115 176.870 0.028 0.000 1.023 463 L CA -0.589 54.269 54.840 0.030 0.000 0.810 463 L CB 2.183 44.259 42.059 0.029 0.000 1.231 463 L HN 0.646 nan 8.230 nan 0.000 0.423 464 E N 1.179 121.395 120.200 0.026 0.000 2.085 464 E HA -0.167 4.183 4.350 -0.000 0.000 0.194 464 E C 0.457 177.070 176.600 0.022 0.000 0.994 464 E CA 1.001 57.416 56.400 0.025 0.000 0.801 464 E CB 0.247 29.958 29.700 0.019 0.000 0.743 464 E HN 0.505 nan 8.360 nan 0.000 0.453 465 E N -0.255 119.957 120.200 0.019 0.000 2.159 465 E HA 0.053 4.403 4.350 -0.000 0.000 0.272 465 E C 0.239 176.849 176.600 0.017 0.000 1.138 465 E CA 0.414 56.823 56.400 0.016 0.000 0.915 465 E CB 0.179 29.887 29.700 0.014 0.000 1.028 465 E HN 0.403 nan 8.360 nan 0.000 0.423 466 G N 5.025 113.836 108.800 0.019 0.000 2.162 466 G HA2 -0.356 3.604 3.960 -0.000 0.000 0.260 466 G HA3 -0.356 3.604 3.960 -0.000 0.000 0.260 466 G C 0.221 175.138 174.900 0.028 0.000 0.976 466 G CA 0.120 45.233 45.100 0.020 0.000 0.655 466 G HN 0.798 nan 8.290 nan 0.000 0.533 467 N N 0.135 118.854 118.700 0.031 0.000 2.699 467 N HA -0.200 4.540 4.740 -0.000 0.000 0.256 467 N C 0.686 176.222 175.510 0.043 0.000 0.993 467 N CA 2.124 55.199 53.050 0.042 0.000 0.759 467 N CB -1.777 36.742 38.487 0.053 0.000 0.906 467 N HN 1.552 nan 8.380 nan 0.000 0.541 468 T N -2.733 111.836 114.554 0.025 0.000 2.912 468 T HA 0.683 5.033 4.350 -0.000 0.000 0.280 468 T C 0.262 174.954 174.700 -0.014 0.000 0.989 468 T CA -0.850 61.254 62.100 0.007 0.000 0.995 468 T CB 1.746 70.608 68.868 -0.010 0.000 1.077 468 T HN 0.068 nan 8.240 nan 0.000 0.531 469 I N 2.215 122.744 120.570 -0.067 0.000 2.410 469 I HA 0.374 4.544 4.170 -0.000 0.000 0.286 469 I C -0.037 175.975 176.117 -0.175 0.000 1.009 469 I CA -0.562 60.671 61.300 -0.111 0.000 1.111 469 I CB 1.099 38.990 38.000 -0.180 0.000 1.262 469 I HN 0.864 nan 8.210 nan 0.000 0.443 470 Q N 5.756 125.458 119.800 -0.163 0.000 2.282 470 Q HA 0.628 4.968 4.340 -0.000 0.000 0.260 470 Q C -1.697 174.056 176.000 -0.412 0.000 0.964 470 Q CA -0.541 55.076 55.803 -0.309 0.000 0.880 470 Q CB 2.297 30.863 28.738 -0.285 0.000 1.286 470 Q HN 0.470 nan 8.270 nan 0.000 0.445 471 V N 5.051 124.529 119.914 -0.727 0.000 2.370 471 V HA 0.429 4.549 4.120 -0.000 0.000 0.283 471 V C -0.684 174.962 176.094 -0.747 0.000 1.023 471 V CA -0.486 61.371 62.300 -0.738 0.000 0.857 471 V CB 0.677 31.782 31.823 -1.196 0.000 0.985 471 V HN 0.655 nan 8.190 nan 0.000 0.443 472 F N 2.615 122.437 119.950 -0.214 0.000 2.440 472 F HA 0.527 5.054 4.527 -0.000 0.000 0.328 472 F C 0.689 176.489 175.800 0.000 0.000 1.070 472 F CA -0.825 57.113 58.000 -0.103 0.000 1.011 472 F CB 1.248 40.200 39.000 -0.081 0.000 1.226 472 F HN 0.236 nan 8.300 nan 0.000 0.491 473 K N 2.355 122.859 120.400 0.173 0.000 2.248 473 K HA 0.231 4.551 4.320 -0.000 0.000 0.281 473 K C 0.934 177.522 176.600 -0.021 0.000 1.054 473 K CA -0.324 55.971 56.287 0.013 0.000 0.903 473 K CB 1.299 33.806 32.500 0.011 0.000 1.077 473 K HN 0.695 nan 8.250 nan 0.000 0.474 474 L N 2.384 123.536 121.223 -0.119 0.000 2.012 474 L HA -0.259 4.081 4.340 -0.000 0.000 0.210 474 L C 2.219 178.992 176.870 -0.161 0.000 1.073 474 L CA 2.089 56.841 54.840 -0.146 0.000 0.748 474 L CB -0.267 41.671 42.059 -0.201 0.000 0.891 474 L HN 0.758 nan 8.230 nan 0.000 0.431 475 S N -1.838 113.769 115.700 -0.154 0.000 2.442 475 S HA -0.157 4.313 4.470 -0.000 0.000 0.236 475 S C 0.530 175.084 174.600 -0.077 0.000 1.007 475 S CA 0.949 59.074 58.200 -0.124 0.000 0.965 475 S CB -0.120 63.017 63.200 -0.106 0.000 0.773 475 S HN 0.563 nan 8.310 nan 0.000 0.504 476 D N -0.347 120.025 120.400 -0.046 0.000 2.319 476 D HA 0.262 4.902 4.640 -0.000 0.000 0.237 476 D C 0.470 176.796 176.300 0.044 0.000 1.353 476 D CA -0.391 53.604 54.000 -0.007 0.000 0.992 476 D CB 0.313 41.113 40.800 0.001 0.000 1.368 476 D HN 0.111 nan 8.370 nan 0.000 0.564 477 L N 1.942 123.192 121.223 0.045 0.000 2.549 477 L HA -0.016 4.324 4.340 -0.000 0.000 0.230 477 L C 1.686 178.677 176.870 0.202 0.000 1.162 477 L CA 0.813 55.733 54.840 0.134 0.000 0.834 477 L CB -0.065 41.991 42.059 -0.005 0.000 0.947 477 L HN 0.500 nan 8.230 nan 0.000 0.452 478 E N -0.524 119.741 120.200 0.107 0.000 2.358 478 E HA -0.017 4.333 4.350 -0.000 0.000 0.195 478 E C 0.238 176.884 176.600 0.077 0.000 1.010 478 E CA 0.153 56.607 56.400 0.089 0.000 0.856 478 E CB 0.484 30.213 29.700 0.049 0.000 0.795 478 E HN 0.184 nan 8.360 nan 0.000 0.504 479 V N 1.182 121.143 119.914 0.079 0.000 2.472 479 V HA 0.303 4.423 4.120 -0.000 0.000 0.290 479 V C -0.068 176.026 176.094 0.000 0.000 1.037 479 V CA -0.304 62.027 62.300 0.051 0.000 0.908 479 V CB 1.511 33.374 31.823 0.068 0.000 0.985 479 V HN 0.173 nan 8.190 nan 0.000 0.454 480 S N 4.334 119.988 115.700 -0.078 0.000 2.615 480 S HA 0.865 5.335 4.470 -0.000 0.000 0.268 480 S C -1.221 173.297 174.600 -0.137 0.000 1.146 480 S CA -0.854 57.151 58.200 -0.326 0.000 0.818 480 S CB 1.988 64.666 63.200 -0.871 0.000 1.111 480 S HN 1.088 nan 8.310 nan 0.000 0.465 481 F N -1.019 118.777 119.950 -0.256 0.000 2.654 481 F HA 0.753 5.280 4.527 -0.000 0.000 0.308 481 F C -1.362 174.312 175.800 -0.210 0.000 1.108 481 F CA -0.973 56.914 58.000 -0.189 0.000 0.957 481 F CB 0.821 39.742 39.000 -0.133 0.000 1.309 481 F HN 0.521 nan 8.300 nan 0.000 0.446 482 D N 2.872 123.295 120.400 0.038 0.000 2.193 482 D HA 0.424 5.064 4.640 -0.000 0.000 0.249 482 D C -0.281 176.030 176.300 0.018 0.000 1.034 482 D CA -0.279 53.691 54.000 -0.050 0.000 0.902 482 D CB 2.512 43.284 40.800 -0.047 0.000 1.182 482 D HN 0.479 nan 8.370 nan 0.000 0.436 483 L N 1.900 123.060 121.223 -0.104 0.000 2.397 483 L HA 0.130 4.470 4.340 -0.000 0.000 0.271 483 L C 1.947 178.782 176.870 -0.059 0.000 1.148 483 L CA -0.511 54.235 54.840 -0.158 0.000 0.825 483 L CB 0.833 42.541 42.059 -0.585 0.000 1.117 483 L HN 0.212 nan 8.230 nan 0.000 0.456 484 K N 0.606 121.013 120.400 0.011 0.000 2.160 484 K HA -0.084 4.236 4.320 -0.000 0.000 0.206 484 K C 0.255 176.900 176.600 0.074 0.000 1.047 484 K CA 1.168 57.482 56.287 0.044 0.000 0.930 484 K CB -0.127 32.404 32.500 0.051 0.000 0.720 484 K HN 0.593 nan 8.250 nan 0.000 0.450 485 T N 2.389 117.038 114.554 0.159 0.000 2.812 485 T HA 0.261 4.611 4.350 -0.000 0.000 0.282 485 T C -2.382 172.442 174.700 0.207 0.000 0.990 485 T CA -1.522 60.684 62.100 0.177 0.000 0.960 485 T CB 2.462 71.443 68.868 0.188 0.000 0.948 485 T HN 0.021 nan 8.240 nan 0.000 0.438 486 P HA 0.403 nan 4.420 nan 0.000 0.289 486 P C -0.361 177.023 177.300 0.141 0.000 1.299 486 P CA -0.614 62.552 63.100 0.109 0.000 0.766 486 P CB 1.082 32.819 31.700 0.060 0.000 1.226 487 L N -0.785 120.510 121.223 0.121 0.000 2.544 487 L HA 0.369 4.709 4.340 -0.000 0.000 0.256 487 L C 2.157 179.075 176.870 0.079 0.000 1.097 487 L CA -0.610 54.299 54.840 0.115 0.000 0.812 487 L CB 0.287 42.421 42.059 0.125 0.000 1.440 487 L HN 0.294 nan 8.230 nan 0.000 0.496 488 R N 0.194 120.741 120.500 0.079 0.000 2.090 488 R HA 0.260 4.600 4.340 -0.000 0.000 0.219 488 R C 0.002 176.340 176.300 0.064 0.000 1.100 488 R CA 1.126 57.263 56.100 0.062 0.000 0.991 488 R CB 0.096 30.435 30.300 0.065 0.000 0.893 488 R HN 0.722 nan 8.270 nan 0.000 0.443 489 A N -0.492 122.377 122.820 0.081 0.000 2.524 489 A HA 0.463 4.782 4.320 -0.000 0.000 0.286 489 A C -1.237 176.390 177.584 0.071 0.000 1.203 489 A CA -0.783 51.297 52.037 0.072 0.000 0.736 489 A CB 0.693 19.742 19.000 0.081 0.000 1.322 489 A HN 0.183 nan 8.150 nan 0.000 0.424 490 K N 0.527 120.963 120.400 0.060 0.000 2.513 490 K HA 0.040 4.360 4.320 -0.000 0.000 0.275 490 K C -2.405 174.237 176.600 0.070 0.000 1.025 490 K CA -0.300 56.021 56.287 0.057 0.000 1.125 490 K CB -0.126 32.403 32.500 0.047 0.000 0.843 490 K HN 0.271 nan 8.250 nan 0.000 0.486 491 P HA -0.034 nan 4.420 nan 0.000 0.268 491 P C -0.429 176.925 177.300 0.089 0.000 1.205 491 P CA -0.029 63.124 63.100 0.088 0.000 0.771 491 P CB 1.274 33.020 31.700 0.077 0.000 0.858 492 S N 1.351 117.120 115.700 0.116 0.000 2.599 492 S HA 0.209 4.679 4.470 -0.000 0.000 0.236 492 S C -0.255 174.475 174.600 0.218 0.000 1.077 492 S CA 0.182 58.463 58.200 0.135 0.000 0.906 492 S CB -0.068 63.200 63.200 0.114 0.000 0.804 492 S HN 0.455 nan 8.310 nan 0.000 0.497 493 Y N 0.155 120.494 120.300 0.066 0.000 2.519 493 Y HA 0.665 5.214 4.550 -0.000 0.000 0.336 493 Y C -1.990 173.978 175.900 0.112 0.000 1.089 493 Y CA -1.273 56.873 58.100 0.077 0.000 1.025 493 Y CB 1.437 39.933 38.460 0.060 0.000 1.318 493 Y HN 0.149 nan 8.280 nan 0.000 0.452 494 I N 3.616 124.031 120.570 -0.259 0.000 2.582 494 I HA 0.490 4.660 4.170 -0.000 0.000 0.292 494 I C -0.977 175.109 176.117 -0.052 0.000 1.066 494 I CA -0.799 60.486 61.300 -0.026 0.000 1.053 494 I CB 2.282 40.274 38.000 -0.013 0.000 1.241 494 I HN 0.508 nan 8.210 nan 0.000 0.421 495 S N 6.652 122.501 115.700 0.248 0.000 2.733 495 S HA 0.614 5.084 4.470 -0.000 0.000 0.294 495 S C -0.776 174.118 174.600 0.490 0.000 1.149 495 S CA -0.481 57.955 58.200 0.394 0.000 1.034 495 S CB 0.643 64.200 63.200 0.594 0.000 1.015 495 S HN 0.434 nan 8.310 nan 0.000 0.486 496 I N 3.538 124.275 120.570 0.279 0.000 2.474 496 I HA 0.208 4.378 4.170 -0.000 0.000 0.287 496 I C 1.118 177.197 176.117 -0.063 0.000 1.048 496 I CA -0.205 61.180 61.300 0.142 0.000 1.383 496 I CB 1.408 39.461 38.000 0.088 0.000 1.412 496 I HN 0.522 nan 8.210 nan 0.000 0.531 497 S N 7.564 123.041 115.700 -0.373 0.000 2.558 497 S HA 0.006 4.476 4.470 -0.000 0.000 0.287 497 S C -1.087 173.271 174.600 -0.402 0.000 1.321 497 S CA -0.798 56.871 58.200 -0.886 0.000 1.048 497 S CB 0.576 63.376 63.200 -0.666 0.000 0.844 497 S HN 0.516 nan 8.310 nan 0.000 0.512 498 P HA -0.077 nan 4.420 nan 0.000 0.220 498 P C 0.979 178.238 177.300 -0.070 0.000 1.148 498 P CA 1.069 64.111 63.100 -0.096 0.000 0.803 498 P CB -0.066 31.619 31.700 -0.024 0.000 0.782 499 S N -1.540 114.091 115.700 -0.113 0.000 2.556 499 S HA 0.101 4.571 4.470 -0.000 0.000 0.216 499 S C 0.735 175.291 174.600 -0.074 0.000 0.970 499 S CA -0.148 58.010 58.200 -0.071 0.000 0.912 499 S CB -0.794 62.363 63.200 -0.073 0.000 0.790 499 S HN 0.130 nan 8.310 nan 0.000 0.504 500 E N -0.403 119.736 120.200 -0.102 0.000 3.181 500 E HA -0.171 4.179 4.350 -0.000 0.000 0.293 500 E C 0.333 176.838 176.600 -0.158 0.000 0.936 500 E CA 0.924 57.283 56.400 -0.068 0.000 0.975 500 E CB -2.315 27.438 29.700 0.088 0.000 1.496 500 E HN 0.633 nan 8.360 nan 0.000 0.429 501 T N -1.090 113.301 114.554 -0.272 0.000 2.814 501 T HA -0.012 4.337 4.350 -0.000 0.000 0.254 501 T C 0.597 174.973 174.700 -0.540 0.000 1.037 501 T CA 1.395 63.203 62.100 -0.485 0.000 1.143 501 T CB -0.014 68.404 68.868 -0.750 0.000 0.866 501 T HN 0.211 nan 8.240 nan 0.000 0.431 502 Y N -0.538 119.661 120.300 -0.168 0.000 2.650 502 Y HA 0.720 5.270 4.550 -0.000 0.000 0.331 502 Y C -0.213 175.695 175.900 0.014 0.000 1.082 502 Y CA -1.769 56.305 58.100 -0.043 0.000 1.171 502 Y CB 1.127 39.620 38.460 0.055 0.000 1.326 502 Y HN -0.087 nan 8.280 nan 0.000 0.513 503 I N 1.239 122.054 120.570 0.409 0.000 2.548 503 I HA 0.547 4.717 4.170 -0.000 0.000 0.287 503 I C -1.042 175.400 176.117 0.542 0.000 1.103 503 I CA -0.934 60.607 61.300 0.400 0.000 1.049 503 I CB 1.773 39.922 38.000 0.248 0.000 1.232 503 I HN 0.710 nan 8.210 nan 0.000 0.429 504 A N 5.246 128.434 122.820 0.612 0.000 2.276 504 A HA 0.924 5.244 4.320 -0.000 0.000 0.316 504 A C -0.400 177.417 177.584 0.388 0.000 1.229 504 A CA -0.377 51.960 52.037 0.500 0.000 0.851 504 A CB 1.043 20.346 19.000 0.505 0.000 1.165 504 A HN 0.810 nan 8.150 nan 0.000 0.513 505 A N 2.140 125.155 122.820 0.324 0.000 2.408 505 A HA 0.794 5.114 4.320 -0.000 0.000 0.295 505 A C 0.050 177.766 177.584 0.220 0.000 1.040 505 A CA 0.104 52.307 52.037 0.277 0.000 0.707 505 A CB 1.242 20.422 19.000 0.301 0.000 1.235 505 A HN 1.748 nan 8.150 nan 0.000 0.418 506 G N 0.886 109.809 108.800 0.206 0.000 2.568 506 G HA2 0.661 4.621 3.960 -0.000 0.000 0.313 506 G HA3 0.661 4.621 3.960 -0.000 0.000 0.313 506 G C -0.967 174.018 174.900 0.143 0.000 1.227 506 G CA -0.319 44.877 45.100 0.160 0.000 0.979 506 G HN 0.889 nan 8.290 nan 0.000 0.486 507 D N -2.256 118.215 120.400 0.119 0.000 2.525 507 D HA 0.343 4.983 4.640 -0.000 0.000 0.249 507 D C 1.323 177.667 176.300 0.075 0.000 1.072 507 D CA -0.206 53.857 54.000 0.105 0.000 1.067 507 D CB 1.312 42.183 40.800 0.117 0.000 1.282 507 D HN 0.630 nan 8.370 nan 0.000 0.587 508 V N -2.530 117.425 119.914 0.068 0.000 3.241 508 V HA -0.063 4.057 4.120 -0.000 0.000 0.269 508 V C 1.216 177.330 176.094 0.035 0.000 1.151 508 V CA 0.852 63.177 62.300 0.042 0.000 1.158 508 V CB -0.811 31.037 31.823 0.042 0.000 0.764 508 V HN 0.465 nan 8.190 nan 0.000 0.508 509 M N 0.576 120.221 119.600 0.076 0.000 2.516 509 M HA 0.406 4.886 4.480 -0.000 0.000 0.259 509 M C 1.747 178.019 176.300 -0.046 0.000 1.146 509 M CA 1.116 56.489 55.300 0.121 0.000 1.122 509 M CB -0.018 32.746 32.600 0.273 0.000 1.341 509 M HN 0.725 nan 8.290 nan 0.000 0.478 510 G N 0.865 109.612 108.800 -0.089 0.000 2.198 510 G HA2 -0.167 3.792 3.960 -0.000 0.000 0.156 510 G HA3 -0.167 3.792 3.960 -0.000 0.000 0.156 510 G C 0.171 174.964 174.900 -0.179 0.000 1.012 510 G CA -0.228 44.646 45.100 -0.376 0.000 0.692 510 G HN 0.376 nan 8.290 nan 0.000 0.492 511 K N 0.610 121.136 120.400 0.211 0.000 2.143 511 K HA 0.755 5.075 4.320 -0.000 0.000 0.272 511 K C -0.202 176.492 176.600 0.157 0.000 1.001 511 K CA -0.725 55.750 56.287 0.314 0.000 0.915 511 K CB 0.503 33.203 32.500 0.335 0.000 1.047 511 K HN 0.138 nan 8.250 nan 0.000 0.458 512 I N 6.593 127.235 120.570 0.120 0.000 2.493 512 I HA 0.199 4.369 4.170 -0.000 0.000 0.279 512 I C -0.774 175.353 176.117 0.015 0.000 1.045 512 I CA -0.656 60.704 61.300 0.100 0.000 1.106 512 I CB 1.164 39.230 38.000 0.111 0.000 1.216 512 I HN 0.465 nan 8.210 nan 0.000 0.459 513 L N 5.948 127.131 121.223 -0.067 0.000 2.334 513 L HA 0.511 4.851 4.340 -0.000 0.000 0.277 513 L C -0.358 176.269 176.870 -0.405 0.000 1.075 513 L CA -0.613 54.030 54.840 -0.327 0.000 0.804 513 L CB 2.040 43.826 42.059 -0.456 0.000 1.174 513 L HN 0.450 nan 8.230 nan 0.000 0.438 514 L N 3.437 124.301 121.223 -0.598 0.000 2.305 514 L HA 0.482 4.822 4.340 -0.000 0.000 0.284 514 L C -1.186 175.490 176.870 -0.325 0.000 1.013 514 L CA -0.331 54.263 54.840 -0.409 0.000 0.819 514 L CB 1.253 42.857 42.059 -0.758 0.000 1.227 514 L HN 0.485 nan 8.230 nan 0.000 0.417 515 Y N 2.183 122.520 120.300 0.061 0.000 2.568 515 Y HA 0.342 4.892 4.550 -0.000 0.000 0.327 515 Y C 0.271 176.260 175.900 0.149 0.000 1.163 515 Y CA -0.752 57.392 58.100 0.073 0.000 1.219 515 Y CB 1.057 39.553 38.460 0.059 0.000 1.308 515 Y HN 0.467 nan 8.280 nan 0.000 0.503 516 D N 1.762 122.319 120.400 0.263 0.000 2.329 516 D HA 0.073 4.713 4.640 -0.000 0.000 0.232 516 D C 0.654 176.980 176.300 0.043 0.000 1.088 516 D CA -0.091 53.972 54.000 0.105 0.000 0.835 516 D CB 1.399 42.220 40.800 0.035 0.000 1.078 516 D HN 0.741 nan 8.370 nan 0.000 0.495 517 L N 4.145 125.351 121.223 -0.027 0.000 1.990 517 L HA -0.289 4.051 4.340 -0.000 0.000 0.213 517 L C 2.226 179.030 176.870 -0.111 0.000 1.072 517 L CA 1.750 56.553 54.840 -0.062 0.000 0.755 517 L CB -0.150 41.810 42.059 -0.166 0.000 0.889 517 L HN 0.451 nan 8.230 nan 0.000 0.432 518 Q N 0.227 119.924 119.800 -0.171 0.000 1.985 518 Q HA -0.254 4.086 4.340 -0.000 0.000 0.207 518 Q C 2.386 178.242 176.000 -0.240 0.000 0.996 518 Q CA 2.843 58.514 55.803 -0.221 0.000 0.851 518 Q CB -0.607 28.031 28.738 -0.168 0.000 0.921 518 Q HN 0.725 nan 8.270 nan 0.000 0.418 519 S N 0.245 115.857 115.700 -0.146 0.000 2.515 519 S HA -0.112 4.358 4.470 -0.000 0.000 0.231 519 S C 0.342 174.889 174.600 -0.087 0.000 0.987 519 S CA 0.691 58.823 58.200 -0.114 0.000 0.936 519 S CB -0.417 62.746 63.200 -0.061 0.000 0.766 519 S HN 0.531 nan 8.310 nan 0.000 0.528 520 R N -0.429 120.035 120.500 -0.059 0.000 3.627 520 R HA -0.210 4.130 4.340 -0.000 0.000 0.281 520 R C -0.634 175.708 176.300 0.070 0.000 1.140 520 R CA 1.404 57.507 56.100 0.004 0.000 0.761 520 R CB -2.870 27.435 30.300 0.008 0.000 1.181 520 R HN 0.637 nan 8.270 nan 0.000 0.472 521 E N 0.270 120.537 120.200 0.112 0.000 2.207 521 E HA 0.491 4.841 4.350 -0.000 0.000 0.270 521 E C -0.388 176.339 176.600 0.212 0.000 0.927 521 E CA -0.886 55.599 56.400 0.141 0.000 0.799 521 E CB 1.966 31.698 29.700 0.054 0.000 1.172 521 E HN 0.171 nan 8.360 nan 0.000 0.404 522 V N 4.465 124.464 119.914 0.142 0.000 2.585 522 V HA -0.005 4.114 4.120 -0.000 0.000 0.296 522 V C 1.248 177.294 176.094 -0.080 0.000 1.035 522 V CA 0.670 62.921 62.300 -0.081 0.000 1.084 522 V CB 1.119 32.833 31.823 -0.181 0.000 0.953 522 V HN 0.742 nan 8.190 nan 0.000 0.483 523 K N 2.519 122.844 120.400 -0.126 0.000 2.361 523 K HA 0.167 4.487 4.320 -0.000 0.000 0.194 523 K C 0.338 176.825 176.600 -0.188 0.000 1.032 523 K CA 0.680 56.914 56.287 -0.088 0.000 1.048 523 K CB 0.495 33.002 32.500 0.012 0.000 0.842 523 K HN 0.779 nan 8.250 nan 0.000 0.526 524 T N -0.825 113.545 114.554 -0.306 0.000 3.542 524 T HA 0.010 4.360 4.350 -0.000 0.000 0.433 524 T C -0.818 173.610 174.700 -0.453 0.000 1.572 524 T CA -0.371 61.515 62.100 -0.356 0.000 1.107 524 T CB 0.644 69.259 68.868 -0.422 0.000 1.511 524 T HN 0.047 nan 8.240 nan 0.000 0.456 525 S N 3.202 118.719 115.700 -0.305 0.000 2.663 525 S HA 0.274 4.744 4.470 -0.000 0.000 0.243 525 S C 1.349 175.855 174.600 -0.155 0.000 1.009 525 S CA -0.508 57.545 58.200 -0.245 0.000 0.988 525 S CB 0.436 63.539 63.200 -0.163 0.000 0.896 525 S HN 0.561 nan 8.310 nan 0.000 0.502 526 R N 0.896 121.286 120.500 -0.183 0.000 2.189 526 R HA 0.205 4.545 4.340 -0.000 0.000 0.218 526 R C -0.105 176.259 176.300 0.107 0.000 1.074 526 R CA 0.158 56.233 56.100 -0.042 0.000 0.991 526 R CB -0.344 29.934 30.300 -0.035 0.000 0.883 526 R HN 0.470 nan 8.270 nan 0.000 0.457 527 W N 1.376 122.597 121.300 -0.131 0.000 2.295 527 W HA 0.178 4.838 4.660 -0.000 0.000 0.335 527 W C 0.438 176.912 176.519 -0.075 0.000 1.351 527 W CA -1.181 56.030 57.345 -0.224 0.000 1.273 527 W CB -0.607 28.409 29.460 -0.740 0.000 1.214 527 W HN 0.099 nan 8.180 nan 0.000 0.563 528 A N 5.398 128.431 122.820 0.355 0.000 2.566 528 A HA 0.023 4.343 4.320 -0.000 0.000 0.245 528 A C -0.312 177.498 177.584 0.376 0.000 1.056 528 A CA -0.260 51.977 52.037 0.334 0.000 0.757 528 A CB -0.359 18.810 19.000 0.282 0.000 0.979 528 A HN 0.428 nan 8.150 nan 0.000 0.508 529 F N 2.813 122.860 119.950 0.162 0.000 2.563 529 F HA 0.188 4.715 4.527 -0.000 0.000 0.363 529 F C 1.378 177.289 175.800 0.185 0.000 1.123 529 F CA 0.096 58.177 58.000 0.136 0.000 1.307 529 F CB 0.678 39.728 39.000 0.083 0.000 1.115 529 F HN 0.660 nan 8.300 nan 0.000 0.592 530 R N 1.605 121.805 120.500 -0.500 0.000 2.175 530 R HA 0.055 4.395 4.340 -0.000 0.000 0.202 530 R C 0.234 176.207 176.300 -0.544 0.000 1.018 530 R CA 1.096 56.984 56.100 -0.352 0.000 1.029 530 R CB -0.437 29.684 30.300 -0.299 0.000 0.959 530 R HN 0.898 nan 8.270 nan 0.000 0.480 531 T N 0.417 114.259 114.554 -1.187 0.000 4.221 531 T HA -0.154 4.196 4.350 -0.000 0.000 0.343 531 T C -0.332 174.186 174.700 -0.303 0.000 0.755 531 T CA 1.088 62.840 62.100 -0.579 0.000 1.949 531 T CB -1.506 67.310 68.868 -0.086 0.000 1.874 531 T HN 0.300 nan 8.240 nan 0.000 0.890 532 S N -0.343 115.151 115.700 -0.344 0.000 2.606 532 S HA 0.398 4.868 4.470 -0.000 0.000 0.290 532 S C -0.719 173.778 174.600 -0.173 0.000 1.103 532 S CA -0.967 57.114 58.200 -0.199 0.000 0.870 532 S CB 1.389 64.471 63.200 -0.197 0.000 1.077 532 S HN 0.613 nan 8.310 nan 0.000 0.448 533 K N 2.667 123.006 120.400 -0.102 0.000 2.543 533 K HA 0.020 4.340 4.320 -0.000 0.000 0.279 533 K C -0.668 175.884 176.600 -0.081 0.000 1.001 533 K CA 0.311 56.560 56.287 -0.064 0.000 1.088 533 K CB 0.044 32.521 32.500 -0.039 0.000 0.863 533 K HN 0.400 nan 8.250 nan 0.000 0.488 534 I N 4.974 125.519 120.570 -0.042 0.000 2.342 534 I HA 0.071 4.241 4.170 -0.000 0.000 0.291 534 I C 0.777 176.876 176.117 -0.029 0.000 1.010 534 I CA -0.014 61.260 61.300 -0.044 0.000 1.308 534 I CB 1.274 39.285 38.000 0.019 0.000 1.400 534 I HN 0.640 nan 8.210 nan 0.000 0.488 535 N N 4.138 122.766 118.700 -0.121 0.000 2.273 535 N HA 0.394 5.134 4.740 -0.000 0.000 0.192 535 N C -0.134 175.087 175.510 -0.483 0.000 1.132 535 N CA 0.136 53.085 53.050 -0.168 0.000 0.887 535 N CB 0.955 39.349 38.487 -0.155 0.000 1.048 535 N HN 0.652 nan 8.380 nan 0.000 0.490 536 A N 0.306 122.798 122.820 -0.546 0.000 2.574 536 A HA 0.778 5.098 4.320 -0.000 0.000 0.297 536 A C -1.509 175.796 177.584 -0.465 0.000 1.062 536 A CA -0.465 51.054 52.037 -0.864 0.000 0.686 536 A CB 1.320 20.004 19.000 -0.526 0.000 1.285 536 A HN 0.014 nan 8.150 nan 0.000 0.403 537 I N 0.804 121.172 120.570 -0.337 0.000 2.649 537 I HA 0.489 4.659 4.170 -0.000 0.000 0.289 537 I C -0.473 175.730 176.117 0.144 0.000 1.222 537 I CA -0.242 61.068 61.300 0.016 0.000 1.046 537 I CB 2.369 40.505 38.000 0.228 0.000 1.272 537 I HN 0.523 nan 8.210 nan 0.000 0.425 538 S N 4.845 120.601 115.700 0.092 0.000 2.619 538 S HA 0.531 5.001 4.470 -0.000 0.000 0.280 538 S C -1.616 173.170 174.600 0.310 0.000 1.150 538 S CA -0.445 57.929 58.200 0.290 0.000 0.978 538 S CB 0.845 64.253 63.200 0.348 0.000 1.041 538 S HN 0.407 nan 8.310 nan 0.000 0.485 539 W N 4.232 125.696 121.300 0.272 0.000 2.266 539 W HA 0.359 5.019 4.660 -0.000 0.000 0.317 539 W C 0.836 177.171 176.519 -0.307 0.000 1.310 539 W CA -0.315 57.078 57.345 0.080 0.000 1.207 539 W CB 0.500 30.006 29.460 0.077 0.000 1.199 539 W HN 0.476 nan 8.180 nan 0.000 0.544 540 K N 6.062 126.161 120.400 -0.502 0.000 2.298 540 K HA 0.191 4.511 4.320 -0.000 0.000 0.280 540 K C -2.011 174.246 176.600 -0.571 0.000 1.032 540 K CA -1.152 54.289 56.287 -1.410 0.000 0.958 540 K CB 0.589 32.194 32.500 -1.492 0.000 0.978 540 K HN 0.182 nan 8.250 nan 0.000 0.472 541 P HA 0.205 nan 4.420 nan 0.000 0.281 541 P C -1.170 176.045 177.300 -0.141 0.000 1.264 541 P CA -0.625 62.371 63.100 -0.173 0.000 0.824 541 P CB 1.269 32.926 31.700 -0.072 0.000 1.092 542 A N 1.026 123.811 122.820 -0.058 0.000 2.332 542 A HA 0.283 4.603 4.320 -0.000 0.000 0.258 542 A C 0.582 178.158 177.584 -0.013 0.000 1.087 542 A CA -0.041 51.976 52.037 -0.033 0.000 0.802 542 A CB -0.262 18.735 19.000 -0.006 0.000 1.042 542 A HN 0.591 nan 8.150 nan 0.000 0.489 551 I N 0.388 120.974 120.570 0.026 0.000 5.405 551 I HA -0.279 3.891 4.170 -0.000 0.000 0.184 551 I C -0.151 175.990 176.117 0.040 0.000 1.786 551 I CA 1.397 62.712 61.300 0.026 0.000 1.490 551 I CB -1.438 36.575 38.000 0.022 0.000 3.212 551 I HN 0.244 nan 8.210 nan 0.000 0.244 552 E N 1.974 122.207 120.200 0.054 0.000 2.316 552 E HA 0.304 4.654 4.350 -0.000 0.000 0.275 552 E C 0.267 176.935 176.600 0.113 0.000 1.029 552 E CA -0.376 56.076 56.400 0.086 0.000 0.871 552 E CB 0.395 30.150 29.700 0.091 0.000 1.022 552 E HN 0.241 nan 8.360 nan 0.000 0.418 553 E N 2.299 122.597 120.200 0.163 0.000 2.480 553 E HA -0.094 4.256 4.350 -0.000 0.000 0.258 553 E C -0.136 176.606 176.600 0.237 0.000 0.984 553 E CA 0.387 56.920 56.400 0.222 0.000 0.930 553 E CB 0.577 30.431 29.700 0.256 0.000 0.936 553 E HN 0.470 nan 8.360 nan 0.000 0.466 554 D N 2.206 122.729 120.400 0.206 0.000 3.018 554 D HA 0.027 4.667 4.640 -0.000 0.000 0.198 554 D C -0.398 175.970 176.300 0.113 0.000 1.474 554 D CA -0.063 54.029 54.000 0.153 0.000 1.429 554 D CB 0.223 41.077 40.800 0.091 0.000 1.289 554 D HN 0.154 nan 8.370 nan 0.000 0.310 555 L N 2.072 123.313 121.223 0.029 0.000 2.380 555 L HA 0.399 4.739 4.340 -0.000 0.000 0.273 555 L C -0.248 176.553 176.870 -0.115 0.000 1.138 555 L CA -0.275 54.537 54.840 -0.046 0.000 0.832 555 L CB 1.099 43.132 42.059 -0.044 0.000 1.124 555 L HN 0.019 nan 8.230 nan 0.000 0.454 556 V N 3.064 122.844 119.914 -0.223 0.000 2.482 556 V HA 0.606 4.725 4.120 -0.000 0.000 0.295 556 V C 0.226 176.204 176.094 -0.193 0.000 1.026 556 V CA -0.985 61.087 62.300 -0.380 0.000 0.856 556 V CB 1.611 32.937 31.823 -0.828 0.000 1.001 556 V HN 0.905 nan 8.190 nan 0.000 0.424 557 A N 3.905 126.751 122.820 0.042 0.000 2.354 557 A HA 0.866 5.186 4.320 -0.000 0.000 0.269 557 A C 0.392 177.902 177.584 -0.122 0.000 1.109 557 A CA 0.108 52.117 52.037 -0.047 0.000 0.800 557 A CB 0.691 19.637 19.000 -0.089 0.000 1.045 557 A HN 1.100 nan 8.150 nan 0.000 0.489 558 T N -0.823 113.632 114.554 -0.165 0.000 2.900 558 T HA 0.761 5.111 4.350 -0.000 0.000 0.303 558 T C -0.309 174.263 174.700 -0.214 0.000 1.142 558 T CA -0.064 61.954 62.100 -0.138 0.000 1.007 558 T CB 1.706 70.580 68.868 0.009 0.000 1.156 558 T HN 1.594 nan 8.240 nan 0.000 0.490 559 G N 0.594 109.256 108.800 -0.230 0.000 2.571 559 G HA2 0.681 4.640 3.960 -0.000 0.000 0.304 559 G HA3 0.681 4.640 3.960 -0.000 0.000 0.304 559 G C -0.830 173.923 174.900 -0.245 0.000 1.314 559 G CA -0.711 44.230 45.100 -0.265 0.000 0.975 559 G HN 1.278 nan 8.290 nan 0.000 0.485 560 S N 0.787 116.325 115.700 -0.270 0.000 2.632 560 S HA 0.447 4.917 4.470 -0.000 0.000 0.289 560 S C 0.771 175.255 174.600 -0.194 0.000 1.115 560 S CA -0.727 57.335 58.200 -0.230 0.000 0.889 560 S CB 1.747 64.779 63.200 -0.279 0.000 1.116 560 S HN 0.642 nan 8.310 nan 0.000 0.486 561 L N 1.582 122.713 121.223 -0.153 0.000 2.189 561 L HA -0.101 4.239 4.340 -0.000 0.000 0.214 561 L C 1.749 178.543 176.870 -0.126 0.000 1.097 561 L CA 2.365 57.133 54.840 -0.119 0.000 0.764 561 L CB -1.012 40.991 42.059 -0.094 0.000 0.900 561 L HN 0.947 nan 8.230 nan 0.000 0.436 562 D N -1.736 118.565 120.400 -0.165 0.000 2.392 562 D HA -0.158 4.482 4.640 -0.000 0.000 0.228 562 D C 1.281 177.485 176.300 -0.159 0.000 1.003 562 D CA 1.164 55.066 54.000 -0.164 0.000 0.917 562 D CB -0.686 39.992 40.800 -0.205 0.000 0.890 562 D HN 0.579 nan 8.370 nan 0.000 0.532 563 T N -5.251 109.214 114.554 -0.149 0.000 5.686 563 T HA -0.214 4.136 4.350 -0.000 0.000 0.270 563 T C 0.064 174.670 174.700 -0.156 0.000 2.206 563 T CA 0.563 62.598 62.100 -0.109 0.000 3.748 563 T CB -2.567 66.251 68.868 -0.083 0.000 0.697 563 T HN 0.381 nan 8.240 nan 0.000 1.085 564 N N 0.796 119.330 118.700 -0.276 0.000 2.477 564 N HA 0.736 5.475 4.740 -0.000 0.000 0.284 564 N C -0.334 174.913 175.510 -0.438 0.000 1.182 564 N CA -0.620 52.209 53.050 -0.370 0.000 0.949 564 N CB 1.336 39.505 38.487 -0.530 0.000 1.204 564 N HN 0.484 nan 8.380 nan 0.000 0.526 565 I N 1.468 121.806 120.570 -0.386 0.000 2.389 565 I HA 0.318 4.488 4.170 -0.000 0.000 0.288 565 I C -1.066 174.974 176.117 -0.128 0.000 0.999 565 I CA -0.506 60.575 61.300 -0.366 0.000 1.129 565 I CB 0.899 38.581 38.000 -0.530 0.000 1.288 565 I HN 0.150 nan 8.210 nan 0.000 0.444 566 F N 6.745 126.431 119.950 -0.440 0.000 2.460 566 F HA 0.483 5.010 4.527 -0.000 0.000 0.341 566 F C 0.136 175.519 175.800 -0.695 0.000 1.130 566 F CA -1.277 56.351 58.000 -0.620 0.000 0.962 566 F CB 1.673 40.200 39.000 -0.787 0.000 1.171 566 F HN 0.197 nan 8.300 nan 0.000 0.436 567 I N 5.586 125.890 120.570 -0.444 0.000 2.307 567 I HA 0.184 4.354 4.170 -0.000 0.000 0.287 567 I C -0.336 175.477 176.117 -0.506 0.000 1.054 567 I CA -0.484 60.598 61.300 -0.363 0.000 1.218 567 I CB 0.260 38.155 38.000 -0.175 0.000 1.398 567 I HN 0.456 nan 8.210 nan 0.000 0.475 568 Y N 3.620 123.600 120.300 -0.534 0.000 2.289 568 Y HA 0.280 4.830 4.550 -0.000 0.000 0.332 568 Y C 0.985 176.536 175.900 -0.582 0.000 1.324 568 Y CA 0.051 57.651 58.100 -0.832 0.000 1.478 568 Y CB 0.954 38.288 38.460 -1.876 0.000 1.378 568 Y HN 0.407 nan 8.280 nan 0.000 0.558 569 S N -0.638 114.958 115.700 -0.175 0.000 2.557 569 S HA 0.373 4.843 4.470 -0.000 0.000 0.291 569 S C 0.147 175.024 174.600 0.463 0.000 1.116 569 S CA -0.731 57.533 58.200 0.107 0.000 0.992 569 S CB 1.116 64.362 63.200 0.077 0.000 1.028 569 S HN 0.483 nan 8.310 nan 0.000 0.484 570 V N 6.283 126.425 119.914 0.378 0.000 2.323 570 V HA -0.074 4.046 4.120 -0.000 0.000 0.244 570 V C 2.286 178.474 176.094 0.156 0.000 1.041 570 V CA 1.623 64.091 62.300 0.280 0.000 1.025 570 V CB -0.487 31.375 31.823 0.064 0.000 0.656 570 V HN 0.813 nan 8.190 nan 0.000 0.451 571 K N 0.053 120.532 120.400 0.132 0.000 2.097 571 K HA 0.010 4.330 4.320 -0.000 0.000 0.205 571 K C 0.862 177.520 176.600 0.095 0.000 1.050 571 K CA 0.907 57.252 56.287 0.096 0.000 0.938 571 K CB 0.009 32.557 32.500 0.081 0.000 0.718 571 K HN 0.340 nan 8.250 nan 0.000 0.442 572 R N 0.420 120.992 120.500 0.120 0.000 2.585 572 R HA 0.158 4.498 4.340 -0.000 0.000 0.278 572 R C -2.474 173.926 176.300 0.167 0.000 1.663 572 R CA -1.357 54.808 56.100 0.107 0.000 1.592 572 R CB 1.169 31.508 30.300 0.065 0.000 1.200 572 R HN -0.044 nan 8.270 nan 0.000 0.611 573 P HA -0.146 nan 4.420 nan 0.000 0.222 573 P C 1.006 178.482 177.300 0.293 0.000 1.142 573 P CA 1.203 64.545 63.100 0.404 0.000 0.788 573 P CB 0.286 32.119 31.700 0.222 0.000 0.767 574 M N -1.976 117.715 119.600 0.151 0.000 2.509 574 M HA 0.074 4.554 4.480 -0.000 0.000 0.250 574 M C 0.875 177.197 176.300 0.037 0.000 1.132 574 M CA 0.465 55.820 55.300 0.091 0.000 1.080 574 M CB -0.646 31.986 32.600 0.054 0.000 1.408 574 M HN -0.135 nan 8.290 nan 0.000 0.484 575 K N 1.990 122.407 120.400 0.028 0.000 2.234 575 K HA 0.503 4.823 4.320 -0.000 0.000 0.277 575 K C -1.232 175.302 176.600 -0.110 0.000 1.038 575 K CA -0.103 56.162 56.287 -0.038 0.000 0.888 575 K CB 0.900 33.386 32.500 -0.023 0.000 1.091 575 K HN 0.153 nan 8.250 nan 0.000 0.467 576 I N 6.481 126.930 120.570 -0.202 0.000 2.447 576 I HA 0.313 4.483 4.170 -0.000 0.000 0.287 576 I C -0.176 175.730 176.117 -0.352 0.000 1.023 576 I CA -0.869 60.205 61.300 -0.376 0.000 1.083 576 I CB 1.720 39.371 38.000 -0.582 0.000 1.245 576 I HN 0.433 nan 8.210 nan 0.000 0.434 577 I N 6.911 127.288 120.570 -0.321 0.000 2.396 577 I HA 0.364 4.534 4.170 -0.000 0.000 0.292 577 I C -0.115 175.826 176.117 -0.293 0.000 0.999 577 I CA -0.351 60.806 61.300 -0.238 0.000 1.310 577 I CB 0.875 38.780 38.000 -0.159 0.000 1.404 577 I HN 0.577 nan 8.210 nan 0.000 0.496 578 K N 4.921 125.181 120.400 -0.234 0.000 2.509 578 K HA 0.925 5.244 4.320 -0.000 0.000 0.266 578 K C -1.459 175.054 176.600 -0.145 0.000 0.987 578 K CA -1.126 55.059 56.287 -0.171 0.000 0.868 578 K CB 2.417 34.816 32.500 -0.169 0.000 1.421 578 K HN 0.554 nan 8.250 nan 0.000 0.444 579 A N 2.222 124.942 122.820 -0.167 0.000 2.411 579 A HA 0.508 4.828 4.320 -0.000 0.000 0.285 579 A C -0.859 176.628 177.584 -0.161 0.000 1.129 579 A CA -0.821 51.077 52.037 -0.233 0.000 0.736 579 A CB 0.493 19.112 19.000 -0.634 0.000 1.186 579 A HN 0.614 nan 8.150 nan 0.000 0.445 580 L N 1.782 122.970 121.223 -0.058 0.000 2.399 580 L HA 0.397 4.736 4.340 -0.000 0.000 0.265 580 L C 0.307 177.156 176.870 -0.035 0.000 1.089 580 L CA -0.983 53.832 54.840 -0.042 0.000 0.802 580 L CB 0.449 42.504 42.059 -0.006 0.000 1.180 580 L HN 0.840 nan 8.230 nan 0.000 0.454 581 N N 0.250 118.918 118.700 -0.054 0.000 2.727 581 N HA -0.255 4.485 4.740 -0.000 0.000 0.249 581 N C 0.819 176.312 175.510 -0.028 0.000 1.048 581 N CA 0.844 53.867 53.050 -0.045 0.000 0.714 581 N CB -1.037 37.430 38.487 -0.034 0.000 0.959 581 N HN 0.870 nan 8.380 nan 0.000 0.544 582 A N -0.064 122.733 122.820 -0.039 0.000 1.902 582 A HA -0.112 4.208 4.320 -0.000 0.000 0.217 582 A C 0.669 178.067 177.584 -0.311 0.000 1.181 582 A CA 1.305 53.329 52.037 -0.022 0.000 0.623 582 A CB 0.013 18.985 19.000 -0.047 0.000 0.818 582 A HN 0.569 nan 8.150 nan 0.000 0.443 583 H N -1.211 117.874 119.070 0.025 0.000 3.017 583 H HA 0.240 4.796 4.556 -0.000 0.000 0.340 583 H C -0.930 174.380 175.328 -0.030 0.000 1.014 583 H CA -0.879 55.175 56.048 0.010 0.000 1.341 583 H CB 1.130 30.893 29.762 0.002 0.000 1.739 583 H HN 0.360 nan 8.280 nan 0.000 0.506 584 K N 3.232 123.666 120.400 0.058 0.000 2.511 584 K HA -0.088 4.232 4.320 -0.000 0.000 0.280 584 K C -0.170 176.436 176.600 0.010 0.000 1.008 584 K CA 0.660 56.942 56.287 -0.007 0.000 1.050 584 K CB 0.212 32.681 32.500 -0.051 0.000 0.889 584 K HN 0.670 nan 8.250 nan 0.000 0.484 585 D N 1.959 122.345 120.400 -0.025 0.000 3.068 585 D HA -0.147 4.493 4.640 -0.000 0.000 0.218 585 D C 0.093 176.373 176.300 -0.033 0.000 1.145 585 D CA 1.550 55.532 54.000 -0.030 0.000 0.896 585 D CB -1.555 39.234 40.800 -0.019 0.000 1.105 585 D HN 1.070 nan 8.370 nan 0.000 0.423 586 G N -1.782 106.999 108.800 -0.032 0.000 2.617 586 G HA2 0.049 4.009 3.960 -0.000 0.000 0.686 586 G HA3 0.049 4.009 3.960 -0.000 0.000 0.686 586 G C -0.581 174.288 174.900 -0.051 0.000 1.214 586 G CA -0.419 44.647 45.100 -0.057 0.000 0.796 586 G HN 0.484 nan 8.290 nan 0.000 0.654 587 V N 2.563 122.420 119.914 -0.095 0.000 2.383 587 V HA 0.342 4.462 4.120 -0.000 0.000 0.275 587 V C 0.811 176.791 176.094 -0.190 0.000 1.036 587 V CA -0.460 61.756 62.300 -0.139 0.000 0.889 587 V CB 1.492 33.237 31.823 -0.130 0.000 0.985 587 V HN 0.743 nan 8.190 nan 0.000 0.459 588 N N 2.928 121.491 118.700 -0.229 0.000 2.428 588 N HA 0.094 4.834 4.740 -0.000 0.000 0.181 588 N C 0.338 175.721 175.510 -0.212 0.000 1.028 588 N CA 0.656 53.589 53.050 -0.196 0.000 0.877 588 N CB 0.154 38.539 38.487 -0.169 0.000 1.064 588 N HN 0.578 nan 8.380 nan 0.000 0.434 589 N N 0.143 118.714 118.700 -0.215 0.000 2.381 589 N HA 0.492 5.232 4.740 -0.000 0.000 0.294 589 N C -1.082 174.324 175.510 -0.174 0.000 1.216 589 N CA -0.384 52.557 53.050 -0.181 0.000 0.803 589 N CB 2.700 41.117 38.487 -0.116 0.000 1.372 589 N HN -0.052 nan 8.380 nan 0.000 0.500 590 L N 1.436 122.571 121.223 -0.147 0.000 2.526 590 L HA 0.524 4.864 4.340 -0.000 0.000 0.263 590 L C -1.503 175.320 176.870 -0.079 0.000 0.943 590 L CA -0.386 54.364 54.840 -0.149 0.000 0.859 590 L CB 2.144 44.077 42.059 -0.211 0.000 1.313 590 L HN 0.303 nan 8.230 nan 0.000 0.406 591 L N 1.392 122.555 121.223 -0.101 0.000 2.465 591 L HA 0.447 4.787 4.340 -0.000 0.000 0.257 591 L C -1.742 175.083 176.870 -0.075 0.000 0.988 591 L CA -0.488 54.358 54.840 0.010 0.000 0.827 591 L CB 2.793 44.898 42.059 0.076 0.000 1.397 591 L HN 0.499 nan 8.230 nan 0.000 0.410 592 W N 1.425 122.770 121.300 0.075 0.000 2.278 592 W HA 0.333 4.993 4.660 -0.000 0.000 0.317 592 W C 1.106 177.670 176.519 0.076 0.000 1.030 592 W CA -0.439 56.951 57.345 0.075 0.000 1.334 592 W CB 1.062 30.571 29.460 0.081 0.000 1.215 592 W HN 0.576 nan 8.180 nan 0.000 0.405 593 E N 0.651 120.985 120.200 0.223 0.000 2.385 593 E HA 0.069 4.419 4.350 -0.000 0.000 0.194 593 E C 0.153 176.858 176.600 0.175 0.000 1.013 593 E CA 0.693 57.193 56.400 0.167 0.000 0.866 593 E CB 0.382 30.143 29.700 0.101 0.000 0.832 593 E HN 0.175 nan 8.360 nan 0.000 0.500 594 T N 0.807 115.496 114.554 0.225 0.000 2.916 594 T HA 0.225 4.575 4.350 -0.000 0.000 0.305 594 T C -2.444 172.426 174.700 0.282 0.000 1.119 594 T CA -1.614 60.605 62.100 0.199 0.000 1.008 594 T CB 1.930 70.885 68.868 0.146 0.000 1.129 594 T HN -0.278 nan 8.240 nan 0.000 0.480 595 P HA -0.120 nan 4.420 nan 0.000 0.218 595 P C 1.153 178.601 177.300 0.247 0.000 1.146 595 P CA 1.077 64.262 63.100 0.141 0.000 0.820 595 P CB 0.210 31.948 31.700 0.063 0.000 0.778 596 S N -3.557 112.297 115.700 0.257 0.000 2.559 596 S HA 0.110 4.580 4.470 -0.000 0.000 0.226 596 S C 0.586 175.346 174.600 0.266 0.000 1.000 596 S CA -0.111 58.248 58.200 0.265 0.000 0.948 596 S CB -0.753 62.539 63.200 0.153 0.000 0.870 596 S HN 0.136 nan 8.310 nan 0.000 0.497 597 T N 0.430 115.145 114.554 0.268 0.000 2.812 597 T HA 0.692 5.042 4.350 -0.000 0.000 0.282 597 T C -0.632 174.096 174.700 0.046 0.000 0.990 597 T CA -0.781 61.405 62.100 0.143 0.000 0.960 597 T CB 1.361 70.290 68.868 0.102 0.000 0.948 597 T HN 0.226 nan 8.240 nan 0.000 0.438 598 L N 3.062 124.219 121.223 -0.109 0.000 2.344 598 L HA 0.775 5.115 4.340 -0.000 0.000 0.272 598 L C -0.721 176.156 176.870 0.012 0.000 1.035 598 L CA -1.195 53.458 54.840 -0.311 0.000 0.807 598 L CB 1.938 43.662 42.059 -0.558 0.000 1.237 598 L HN 0.550 nan 8.230 nan 0.000 0.442 599 V N 1.499 121.394 119.914 -0.032 0.000 2.588 599 V HA 0.505 4.625 4.120 -0.000 0.000 0.304 599 V C -0.308 175.822 176.094 0.060 0.000 1.042 599 V CA -0.484 61.846 62.300 0.050 0.000 0.877 599 V CB 2.006 33.826 31.823 -0.006 0.000 0.996 599 V HN 0.883 nan 8.190 nan 0.000 0.425 600 S N 2.764 118.577 115.700 0.188 0.000 2.599 600 S HA 0.927 5.397 4.470 -0.000 0.000 0.287 600 S C -0.552 174.082 174.600 0.055 0.000 1.105 600 S CA -0.438 57.858 58.200 0.161 0.000 0.899 600 S CB 2.237 65.676 63.200 0.398 0.000 1.100 600 S HN 1.153 nan 8.310 nan 0.000 0.482 601 S N 0.435 115.982 115.700 -0.255 0.000 2.548 601 S HA 0.932 5.402 4.470 -0.000 0.000 0.286 601 S C -0.079 173.996 174.600 -0.875 0.000 1.098 601 S CA -0.528 57.401 58.200 -0.452 0.000 0.930 601 S CB 1.254 64.308 63.200 -0.242 0.000 1.070 601 S HN 1.509 nan 8.310 nan 0.000 0.480 602 G N -0.208 108.064 108.800 -0.880 0.000 2.730 602 G HA2 0.674 4.633 3.960 -0.000 0.000 0.289 602 G HA3 0.674 4.633 3.960 -0.000 0.000 0.289 602 G C 0.660 175.463 174.900 -0.162 0.000 1.341 602 G CA -0.474 44.291 45.100 -0.559 0.000 0.932 602 G HN 1.174 nan 8.290 nan 0.000 0.481 603 A N -0.148 122.635 122.820 -0.063 0.000 2.076 603 A HA -0.031 4.289 4.320 -0.000 0.000 0.220 603 A C 1.687 179.310 177.584 0.066 0.000 1.160 603 A CA 2.219 54.261 52.037 0.008 0.000 0.653 603 A CB -0.412 18.589 19.000 0.003 0.000 0.801 603 A HN 0.651 nan 8.150 nan 0.000 0.455 604 D N -1.382 119.074 120.400 0.092 0.000 2.324 604 D HA 0.330 4.970 4.640 -0.000 0.000 0.235 604 D C 0.763 177.157 176.300 0.157 0.000 1.095 604 D CA 0.616 54.710 54.000 0.157 0.000 0.871 604 D CB -0.684 40.239 40.800 0.205 0.000 0.906 604 D HN 0.943 nan 8.370 nan 0.000 0.522 605 A N -1.486 121.373 122.820 0.065 0.000 2.826 605 A HA -0.231 4.088 4.320 -0.000 0.000 0.274 605 A C 0.519 178.117 177.584 0.024 0.000 1.443 605 A CA 0.639 52.680 52.037 0.006 0.000 0.833 605 A CB -2.604 16.404 19.000 0.014 0.000 1.023 605 A HN 0.506 nan 8.150 nan 0.000 0.600 606 C N -0.631 118.725 119.300 0.094 0.000 2.397 606 C HA 0.798 5.258 4.460 -0.000 0.000 0.343 606 C C 0.540 175.606 174.990 0.127 0.000 1.188 606 C CA -0.601 58.496 59.018 0.132 0.000 1.992 606 C CB 1.150 29.038 27.740 0.247 0.000 2.358 606 C HN 0.533 nan 8.230 nan 0.000 0.518 607 I N 2.379 122.974 120.570 0.042 0.000 2.447 607 I HA 0.397 4.567 4.170 -0.000 0.000 0.287 607 I C -0.426 175.658 176.117 -0.056 0.000 1.023 607 I CA -0.278 61.008 61.300 -0.023 0.000 1.083 607 I CB 1.160 39.043 38.000 -0.194 0.000 1.245 607 I HN 0.574 nan 8.210 nan 0.000 0.434 608 K N 6.420 126.832 120.400 0.020 0.000 2.378 608 K HA 0.611 4.931 4.320 -0.000 0.000 0.252 608 K C -0.902 175.534 176.600 -0.273 0.000 0.931 608 K CA -0.963 55.189 56.287 -0.226 0.000 0.794 608 K CB 2.939 35.208 32.500 -0.384 0.000 1.181 608 K HN 0.483 nan 8.250 nan 0.000 0.425 609 R N 1.681 121.917 120.500 -0.441 0.000 2.407 609 R HA 0.383 4.723 4.340 -0.000 0.000 0.303 609 R C -1.135 174.892 176.300 -0.455 0.000 0.981 609 R CA -0.591 55.343 56.100 -0.278 0.000 0.905 609 R CB 0.967 31.154 30.300 -0.189 0.000 1.099 609 R HN 0.486 nan 8.270 nan 0.000 0.459 610 W N 1.176 122.406 121.300 -0.116 0.000 2.819 610 W HA 0.374 5.033 4.660 -0.000 0.000 0.337 610 W C -0.275 176.194 176.519 -0.085 0.000 1.077 610 W CA -0.795 56.484 57.345 -0.109 0.000 1.226 610 W CB 0.980 30.352 29.460 -0.148 0.000 1.419 610 W HN 0.255 nan 8.180 nan 0.000 0.502 611 N N 1.810 120.614 118.700 0.174 0.000 2.426 611 N HA 0.291 5.031 4.740 -0.000 0.000 0.257 611 N C -1.072 174.511 175.510 0.123 0.000 1.002 611 N CA -0.304 52.816 53.050 0.116 0.000 0.942 611 N CB 1.677 40.209 38.487 0.075 0.000 1.112 611 N HN 0.144 nan 8.380 nan 0.000 0.499 612 V N 3.247 123.237 119.914 0.126 0.000 2.368 612 V HA 0.210 4.330 4.120 -0.000 0.000 0.266 612 V C 0.909 177.072 176.094 0.114 0.000 1.045 612 V CA -0.577 61.797 62.300 0.123 0.000 0.899 612 V CB 0.939 32.892 31.823 0.215 0.000 1.006 612 V HN 0.266 nan 8.190 nan 0.000 0.470 613 V N 0.000 119.959 119.914 0.076 0.000 2.409 613 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 613 V CA 0.000 62.334 62.300 0.058 0.000 1.235 613 V CB 0.000 31.847 31.823 0.041 0.000 1.184 613 V HN 0.000 nan 8.190 nan 0.000 0.556