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 1d3c_1_A DATA FIRST_RESID 1 DATA SEQUENCE APDTSVSNKQ NFSTDVIYQI FTDRFSDGNP ANNPTGAAFD GTcTNLRLYc DATA SEQUENCE GGDWQGIINK INDGYLTGMG VTAIWISQPV ENIYSIINYS GVNNTAYHGY DATA SEQUENCE WARDFKKTNP AYGTIADFQN LIAAAHAKNI KVIIDFAPNH TSPASSDQPS DATA SEQUENCE FAENGRLYDN GTLLGGYTND TQNLFHHNGG TDFSTTENGI YKNLYDLADL DATA SEQUENCE NHNNSTVDVY LKDAIKMWLD LGIDGIRMNA VKHMPFGWQK SFMAAVNNYK DATA SEQUENCE PVFTFGQWFL GVNEVSPENH KFANESGMSL LDFRFAQKVR QVFRDNTDNM DATA SEQUENCE YGLKAMLEGS AADYAQVDDQ VTFIDNHDME RFHASNANRR KLEQALAFTL DATA SEQUENCE TSRGVPAIYY GTEQYMSGGT DPDNRARIPS FSTSTTAYQV IQKLAPLRKC DATA SEQUENCE NPAIAYGSTQ ERWINNDVLI YERKFGSNVA VVAVNRNLNA PASISGLVTS DATA SEQUENCE LPQGSYNDVL GGLLNGNTLS VGSGGAASNF TLAAGGTAVW QYTAATATPT DATA SEQUENCE IGHVGPMMAK PGVTITIDGR GFGSSKGTVY FGTTAVSGAD ITSWEDTQIK DATA SEQUENCE VKIPAVAGGN YNIKVANAAG TASNVYDNFE VLSGDQVSVR FVVNNATTAL DATA SEQUENCE GQNVYLTGSV SELGNWDPAK AIGPMYNQVV YQYPNWYYDV SVPAGKTIEF DATA SEQUENCE KFLKKQGSTV TWEGGSNHTF TAPSSGTATI NVNWQP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.566 177.584 -0.030 0.000 1.274 1 A CA 0.000 52.018 52.037 -0.032 0.000 0.836 1 A CB 0.000 18.970 19.000 -0.051 0.000 0.831 2 P HA 0.275 nan 4.420 nan 0.000 0.276 2 P C 0.016 177.288 177.300 -0.046 0.000 1.261 2 P CA 0.163 63.244 63.100 -0.033 0.000 0.800 2 P CB 0.537 32.215 31.700 -0.037 0.000 1.066 3 D N -0.380 120.001 120.400 -0.032 0.000 2.190 3 D HA -0.168 4.472 4.640 -0.000 0.000 0.200 3 D C 1.068 177.323 176.300 -0.075 0.000 0.992 3 D CA 2.089 56.071 54.000 -0.030 0.000 0.854 3 D CB -1.436 39.384 40.800 0.034 0.000 0.936 3 D HN 0.465 nan 8.370 nan 0.000 0.462 4 T N -2.598 111.902 114.554 -0.089 0.000 3.148 4 T HA 0.076 4.426 4.350 -0.000 0.000 0.253 4 T C 0.952 175.563 174.700 -0.148 0.000 1.134 4 T CA -0.135 61.884 62.100 -0.135 0.000 1.051 4 T CB -0.223 68.569 68.868 -0.127 0.000 0.959 4 T HN 0.136 nan 8.240 nan 0.000 0.525 5 S N 0.471 116.093 115.700 -0.130 0.000 2.562 5 S HA 0.187 4.657 4.470 -0.000 0.000 0.281 5 S C 1.441 175.932 174.600 -0.182 0.000 1.333 5 S CA -0.456 57.664 58.200 -0.134 0.000 1.052 5 S CB 1.187 64.323 63.200 -0.107 0.000 0.884 5 S HN 0.236 nan 8.310 nan 0.000 0.506 6 V N 4.634 124.438 119.914 -0.184 0.000 2.867 6 V HA -0.076 4.044 4.120 -0.000 0.000 0.260 6 V C 2.169 178.098 176.094 -0.275 0.000 1.099 6 V CA 2.499 64.660 62.300 -0.230 0.000 1.122 6 V CB -0.855 30.851 31.823 -0.194 0.000 0.708 6 V HN 1.026 nan 8.190 nan 0.000 0.490 7 S N -0.121 115.446 115.700 -0.223 0.000 2.561 7 S HA 0.002 4.472 4.470 -0.000 0.000 0.225 7 S C 1.120 175.631 174.600 -0.148 0.000 0.977 7 S CA 0.406 58.485 58.200 -0.202 0.000 0.926 7 S CB -0.673 62.440 63.200 -0.146 0.000 0.769 7 S HN 0.619 nan 8.310 nan 0.000 0.533 8 N N 2.447 121.050 118.700 -0.162 0.000 2.549 8 N HA 0.187 4.927 4.740 -0.000 0.000 0.267 8 N C 0.459 175.907 175.510 -0.103 0.000 1.182 8 N CA 0.013 52.989 53.050 -0.124 0.000 1.019 8 N CB 0.307 38.706 38.487 -0.147 0.000 1.380 8 N HN 0.444 nan 8.380 nan 0.000 0.505 9 K N 1.509 121.914 120.400 0.008 0.000 2.439 9 K HA -0.058 4.262 4.320 -0.000 0.000 0.197 9 K C 0.637 177.424 176.600 0.311 0.000 1.041 9 K CA 0.815 57.204 56.287 0.170 0.000 0.970 9 K CB 0.400 32.992 32.500 0.153 0.000 0.773 9 K HN 0.416 nan 8.250 nan 0.000 0.479 10 Q N 0.185 120.108 119.800 0.206 0.000 2.360 10 Q HA 0.076 4.416 4.340 -0.000 0.000 0.202 10 Q C -0.344 175.854 176.000 0.331 0.000 0.915 10 Q CA 0.221 56.196 55.803 0.286 0.000 0.943 10 Q CB 0.409 29.265 28.738 0.197 0.000 1.064 10 Q HN 0.064 nan 8.270 nan 0.000 0.511 11 N N -0.710 118.061 118.700 0.119 0.000 2.454 11 N HA 0.187 4.927 4.740 -0.000 0.000 0.291 11 N C -1.398 173.915 175.510 -0.329 0.000 1.079 11 N CA -0.330 52.594 53.050 -0.210 0.000 0.893 11 N CB 0.555 38.862 38.487 -0.300 0.000 1.512 11 N HN -0.115 nan 8.380 nan 0.000 0.497 12 F N 1.063 120.558 119.950 -0.758 0.000 2.706 12 F HA 0.305 4.832 4.527 -0.000 0.000 0.313 12 F C 1.875 177.354 175.800 -0.535 0.000 1.096 12 F CA -0.093 57.509 58.000 -0.663 0.000 1.219 12 F CB 0.486 38.914 39.000 -0.953 0.000 1.051 12 F HN 0.424 nan 8.300 nan 0.000 0.568 13 S N -0.541 114.926 115.700 -0.388 0.000 2.442 13 S HA -0.164 4.306 4.470 -0.000 0.000 0.236 13 S C 2.155 176.546 174.600 -0.347 0.000 1.007 13 S CA 1.831 59.845 58.200 -0.310 0.000 0.965 13 S CB -0.472 62.600 63.200 -0.213 0.000 0.773 13 S HN 0.525 nan 8.310 nan 0.000 0.504 14 T N -0.581 113.755 114.554 -0.364 0.000 3.107 14 T HA 0.153 4.503 4.350 -0.000 0.000 0.249 14 T C 0.081 174.615 174.700 -0.278 0.000 1.096 14 T CA -0.293 61.594 62.100 -0.355 0.000 1.012 14 T CB 0.017 68.681 68.868 -0.340 0.000 0.977 14 T HN 0.080 nan 8.240 nan 0.000 0.527 15 D N 0.566 120.809 120.400 -0.261 0.000 2.442 15 D HA 0.537 5.177 4.640 -0.000 0.000 0.254 15 D C -0.963 175.263 176.300 -0.124 0.000 1.069 15 D CA -0.542 53.339 54.000 -0.199 0.000 1.017 15 D CB 2.530 43.189 40.800 -0.235 0.000 1.172 15 D HN 0.013 nan 8.370 nan 0.000 0.561 16 V N 1.738 121.611 119.914 -0.070 0.000 2.447 16 V HA 0.293 4.413 4.120 -0.000 0.000 0.292 16 V C 0.064 176.197 176.094 0.064 0.000 1.021 16 V CA -0.620 61.665 62.300 -0.025 0.000 0.850 16 V CB 1.435 33.227 31.823 -0.052 0.000 1.005 16 V HN 0.349 nan 8.190 nan 0.000 0.426 17 I N 4.653 125.295 120.570 0.119 0.000 2.519 17 I HA 0.306 4.476 4.170 -0.000 0.000 0.287 17 I C -0.757 175.520 176.117 0.267 0.000 1.047 17 I CA -0.435 61.001 61.300 0.226 0.000 1.381 17 I CB 0.765 38.925 38.000 0.266 0.000 1.417 17 I HN 0.587 nan 8.210 nan 0.000 0.540 18 Y N 5.971 126.358 120.300 0.146 0.000 2.388 18 Y HA 0.221 4.771 4.550 -0.000 0.000 0.328 18 Y C 0.011 175.986 175.900 0.124 0.000 0.963 18 Y CA -0.609 57.555 58.100 0.107 0.000 1.240 18 Y CB 0.883 39.368 38.460 0.041 0.000 1.118 18 Y HN 0.507 nan 8.280 nan 0.000 0.484 19 Q N 7.034 126.752 119.800 -0.135 0.000 2.296 19 Q HA 0.347 4.687 4.340 -0.000 0.000 0.263 19 Q C -1.181 174.628 176.000 -0.317 0.000 1.026 19 Q CA -0.048 55.612 55.803 -0.238 0.000 0.912 19 Q CB 0.431 28.907 28.738 -0.436 0.000 1.198 19 Q HN 0.780 nan 8.270 nan 0.000 0.407 20 I N 4.298 124.682 120.570 -0.310 0.000 2.354 20 I HA 0.193 4.363 4.170 -0.000 0.000 0.292 20 I C -0.591 175.344 176.117 -0.303 0.000 0.989 20 I CA -0.746 60.349 61.300 -0.340 0.000 1.188 20 I CB 0.928 38.708 38.000 -0.367 0.000 1.342 20 I HN 0.597 nan 8.210 nan 0.000 0.457 21 F N 5.629 125.254 119.950 -0.542 0.000 2.462 21 F HA 0.140 4.667 4.527 -0.000 0.000 0.354 21 F C 1.717 177.330 175.800 -0.311 0.000 1.192 21 F CA 0.027 57.810 58.000 -0.362 0.000 1.173 21 F CB 0.434 39.307 39.000 -0.212 0.000 1.402 21 F HN 0.552 nan 8.300 nan 0.000 0.595 22 T N 1.304 115.679 114.554 -0.299 0.000 2.653 22 T HA -0.362 3.988 4.350 -0.000 0.000 0.267 22 T C 1.671 176.365 174.700 -0.010 0.000 1.037 22 T CA 2.265 64.231 62.100 -0.222 0.000 1.159 22 T CB -0.250 68.227 68.868 -0.652 0.000 0.859 22 T HN 0.585 nan 8.240 nan 0.000 0.449 23 D N 0.215 120.671 120.400 0.093 0.000 2.269 23 D HA -0.059 4.581 4.640 -0.000 0.000 0.208 23 D C 1.910 178.330 176.300 0.199 0.000 0.963 23 D CA 0.639 54.789 54.000 0.251 0.000 0.864 23 D CB 0.153 41.170 40.800 0.362 0.000 0.936 23 D HN 0.155 nan 8.370 nan 0.000 0.505 24 R N -0.669 119.925 120.500 0.157 0.000 2.468 24 R HA 0.117 4.457 4.340 -0.000 0.000 0.280 24 R C 0.699 177.030 176.300 0.051 0.000 0.963 24 R CA -0.180 55.973 56.100 0.089 0.000 1.083 24 R CB -0.185 30.186 30.300 0.119 0.000 1.200 24 R HN 0.256 nan 8.270 nan 0.000 0.541 25 F N 0.669 120.564 119.950 -0.091 0.000 2.287 25 F HA 0.274 4.801 4.527 -0.000 0.000 0.276 25 F C 0.364 176.269 175.800 0.175 0.000 1.047 25 F CA 0.262 58.267 58.000 0.009 0.000 1.194 25 F CB 0.360 39.367 39.000 0.011 0.000 1.118 25 F HN -0.186 nan 8.300 nan 0.000 0.556 26 S N -0.071 115.700 115.700 0.119 0.000 2.592 26 S HA 0.210 4.680 4.470 -0.000 0.000 0.275 26 S C -1.859 172.805 174.600 0.106 0.000 1.169 26 S CA -0.817 57.405 58.200 0.037 0.000 0.958 26 S CB 0.731 63.862 63.200 -0.115 0.000 1.095 26 S HN 0.230 nan 8.310 nan 0.000 0.471 27 D N 3.664 124.123 120.400 0.098 0.000 2.435 27 D HA 0.381 5.021 4.640 -0.000 0.000 0.230 27 D C 1.268 177.617 176.300 0.082 0.000 1.215 27 D CA 0.155 54.221 54.000 0.111 0.000 0.947 27 D CB 0.472 41.350 40.800 0.130 0.000 1.048 27 D HN 0.692 nan 8.370 nan 0.000 0.512 28 G N 3.217 112.068 108.800 0.086 0.000 2.623 28 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.214 28 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.214 28 G C 0.689 175.625 174.900 0.059 0.000 1.138 28 G CA -0.189 44.952 45.100 0.068 0.000 0.794 28 G HN 0.485 nan 8.290 nan 0.000 0.535 29 N N -0.407 118.328 118.700 0.059 0.000 2.640 29 N HA 0.307 5.047 4.740 -0.000 0.000 0.262 29 N C -2.111 173.407 175.510 0.013 0.000 1.174 29 N CA -1.951 51.121 53.050 0.037 0.000 0.791 29 N CB 2.162 40.676 38.487 0.045 0.000 1.279 29 N HN -0.223 nan 8.380 nan 0.000 0.535 30 P HA -0.051 nan 4.420 nan 0.000 0.222 30 P C 0.928 178.180 177.300 -0.081 0.000 1.147 30 P CA 0.743 63.825 63.100 -0.029 0.000 0.790 30 P CB 0.226 31.918 31.700 -0.013 0.000 0.780 31 A N 0.964 123.751 122.820 -0.055 0.000 2.067 31 A HA -0.173 4.147 4.320 -0.000 0.000 0.219 31 A C 1.698 179.226 177.584 -0.093 0.000 1.158 31 A CA 1.693 53.689 52.037 -0.069 0.000 0.661 31 A CB -1.328 17.649 19.000 -0.038 0.000 0.801 31 A HN 0.356 nan 8.150 nan 0.000 0.452 32 N N -0.548 118.098 118.700 -0.090 0.000 2.230 32 N HA 0.032 4.772 4.740 -0.000 0.000 0.202 32 N C -0.578 174.826 175.510 -0.177 0.000 1.119 32 N CA -0.389 52.594 53.050 -0.111 0.000 0.851 32 N CB -0.467 37.976 38.487 -0.073 0.000 0.990 32 N HN 0.144 nan 8.380 nan 0.000 0.497 33 N N 2.134 120.696 118.700 -0.230 0.000 2.492 33 N HA 0.210 4.950 4.740 -0.000 0.000 0.262 33 N C -2.196 173.044 175.510 -0.450 0.000 1.202 33 N CA -0.932 51.892 53.050 -0.377 0.000 0.926 33 N CB 0.290 38.372 38.487 -0.674 0.000 1.078 33 N HN 0.192 nan 8.380 nan 0.000 0.454 34 P HA 0.135 nan 4.420 nan 0.000 0.274 34 P C 0.051 177.166 177.300 -0.307 0.000 1.260 34 P CA -0.105 62.801 63.100 -0.323 0.000 0.793 34 P CB 0.506 32.001 31.700 -0.342 0.000 1.048 35 T N -3.794 110.681 114.554 -0.131 0.000 2.858 35 T HA 0.666 5.016 4.350 -0.000 0.000 0.285 35 T C 0.553 175.293 174.700 0.066 0.000 1.052 35 T CA -0.058 62.002 62.100 -0.067 0.000 1.009 35 T CB 1.122 69.930 68.868 -0.101 0.000 1.241 35 T HN 0.703 nan 8.240 nan 0.000 0.542 36 G N 0.933 109.783 108.800 0.084 0.000 2.582 36 G HA2 -0.040 3.919 3.960 -0.000 0.000 0.288 36 G HA3 -0.040 3.919 3.960 -0.000 0.000 0.288 36 G C 1.239 176.213 174.900 0.123 0.000 1.247 36 G CA 0.917 46.070 45.100 0.088 0.000 0.972 36 G HN 1.921 nan 8.290 nan 0.000 0.557 37 A N -0.482 122.392 122.820 0.090 0.000 2.186 37 A HA 0.347 4.667 4.320 -0.000 0.000 0.219 37 A C 2.565 180.222 177.584 0.122 0.000 1.159 37 A CA 2.576 54.666 52.037 0.089 0.000 0.680 37 A CB -0.612 18.428 19.000 0.066 0.000 0.787 37 A HN 2.245 nan 8.150 nan 0.000 0.467 38 A N -2.210 120.706 122.820 0.160 0.000 2.307 38 A HA 0.544 4.864 4.320 -0.000 0.000 0.218 38 A C 0.099 177.885 177.584 0.338 0.000 1.228 38 A CA -0.068 52.106 52.037 0.227 0.000 0.857 38 A CB -0.215 18.904 19.000 0.198 0.000 0.897 38 A HN 0.528 nan 8.150 nan 0.000 0.495 39 F N -0.747 119.255 119.950 0.087 0.000 2.591 39 F HA 0.574 5.101 4.527 -0.000 0.000 0.309 39 F C -1.952 173.879 175.800 0.050 0.000 1.098 39 F CA -1.234 56.815 58.000 0.083 0.000 0.937 39 F CB 1.938 40.964 39.000 0.044 0.000 1.250 39 F HN -0.044 nan 8.300 nan 0.000 0.447 40 D N 3.153 122.984 120.400 -0.949 0.000 2.330 40 D HA 0.275 4.914 4.640 -0.000 0.000 0.249 40 D C 0.910 176.629 176.300 -0.969 0.000 1.306 40 D CA 0.143 53.721 54.000 -0.702 0.000 0.956 40 D CB 1.150 41.756 40.800 -0.323 0.000 1.261 40 D HN 0.728 nan 8.370 nan 0.000 0.544 41 G N 1.654 109.872 108.800 -0.971 0.000 2.475 41 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.220 41 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.220 41 G C 1.327 176.126 174.900 -0.169 0.000 1.125 41 G CA 1.586 46.466 45.100 -0.368 0.000 0.755 41 G HN 0.540 nan 8.290 nan 0.000 0.565 42 T N -3.588 110.871 114.554 -0.157 0.000 3.148 42 T HA 0.060 4.410 4.350 -0.000 0.000 0.253 42 T C 1.239 175.874 174.700 -0.109 0.000 1.134 42 T CA 0.537 62.581 62.100 -0.092 0.000 1.051 42 T CB -0.779 68.051 68.868 -0.064 0.000 0.959 42 T HN 0.563 nan 8.240 nan 0.000 0.525 43 c N 1.687 120.185 118.600 -0.170 0.000 4.028 43 c HA -0.197 4.373 4.570 -0.000 0.000 0.300 43 c C 1.611 175.634 174.090 -0.112 0.000 1.399 43 c CA 0.998 57.236 56.329 -0.151 0.000 2.051 43 c CB -2.686 39.764 42.510 -0.100 0.000 1.318 43 c HN 0.804 nan 8.230 nan 0.000 0.696 44 T N -0.501 113.986 114.554 -0.111 0.000 3.033 44 T HA 0.003 4.353 4.350 -0.000 0.000 0.248 44 T C 0.806 175.459 174.700 -0.079 0.000 1.040 44 T CA 0.958 63.011 62.100 -0.077 0.000 1.133 44 T CB -0.167 68.665 68.868 -0.060 0.000 0.895 44 T HN 0.665 nan 8.240 nan 0.000 0.465 45 N N 2.420 121.060 118.700 -0.099 0.000 2.482 45 N HA 0.148 4.888 4.740 -0.000 0.000 0.242 45 N C 0.532 175.959 175.510 -0.139 0.000 1.100 45 N CA -0.170 52.826 53.050 -0.090 0.000 0.946 45 N CB 0.078 38.519 38.487 -0.075 0.000 1.227 45 N HN 0.287 nan 8.380 nan 0.000 0.508 46 L N 2.571 123.719 121.223 -0.125 0.000 2.700 46 L HA 0.022 4.362 4.340 -0.000 0.000 0.240 46 L C 1.441 178.134 176.870 -0.295 0.000 1.162 46 L CA 0.493 55.218 54.840 -0.191 0.000 0.874 46 L CB -0.074 41.925 42.059 -0.099 0.000 1.001 46 L HN 0.382 nan 8.230 nan 0.000 0.447 47 R N -0.894 119.488 120.500 -0.198 0.000 2.397 47 R HA 0.305 4.645 4.340 -0.000 0.000 0.241 47 R C 0.222 176.434 176.300 -0.146 0.000 0.914 47 R CA -0.062 55.977 56.100 -0.103 0.000 1.071 47 R CB 0.559 30.911 30.300 0.086 0.000 1.116 47 R HN 0.228 nan 8.270 nan 0.000 0.524 48 L N -0.700 120.384 121.223 -0.232 0.000 2.347 48 L HA 0.411 4.751 4.340 -0.000 0.000 0.268 48 L C -0.193 176.552 176.870 -0.209 0.000 1.019 48 L CA -1.319 53.454 54.840 -0.112 0.000 0.806 48 L CB 0.355 42.393 42.059 -0.035 0.000 1.339 48 L HN -0.123 nan 8.230 nan 0.000 0.463 49 Y N -1.016 119.274 120.300 -0.017 0.000 2.425 49 Y HA -0.006 4.544 4.550 -0.000 0.000 0.331 49 Y C 0.874 176.728 175.900 -0.077 0.000 1.157 49 Y CA 0.033 58.177 58.100 0.073 0.000 1.372 49 Y CB 0.887 39.498 38.460 0.253 0.000 1.253 49 Y HN 0.512 nan 8.280 nan 0.000 0.536 50 c N 0.927 119.595 118.600 0.113 0.000 3.065 50 c HA 0.319 4.889 4.570 -0.000 0.000 0.285 50 c C 1.662 175.902 174.090 0.249 0.000 1.257 50 c CA 0.493 56.795 56.329 -0.046 0.000 1.691 50 c CB -0.422 42.056 42.510 -0.054 0.000 2.089 50 c HN 1.215 nan 8.230 nan 0.000 0.630 51 G N 0.304 109.385 108.800 0.467 0.000 2.184 51 G HA2 -0.057 3.903 3.960 -0.000 0.000 0.206 51 G HA3 -0.057 3.903 3.960 -0.000 0.000 0.206 51 G C 0.372 175.429 174.900 0.261 0.000 0.995 51 G CA -0.096 45.266 45.100 0.437 0.000 0.651 51 G HN 0.774 nan 8.290 nan 0.000 0.511 52 G N 0.836 109.782 108.800 0.243 0.000 2.340 52 G HA2 0.521 4.481 3.960 -0.000 0.000 0.245 52 G HA3 0.521 4.481 3.960 -0.000 0.000 0.245 52 G C 0.050 175.062 174.900 0.186 0.000 1.294 52 G CA 1.058 46.276 45.100 0.196 0.000 0.896 52 G HN 0.926 nan 8.290 nan 0.000 0.522 53 D N 0.128 120.618 120.400 0.149 0.000 2.744 53 D HA 0.275 4.915 4.640 -0.000 0.000 0.304 53 D C 0.536 176.944 176.300 0.179 0.000 1.179 53 D CA -0.935 53.114 54.000 0.082 0.000 1.024 53 D CB 0.311 41.151 40.800 0.067 0.000 1.453 53 D HN 0.298 nan 8.370 nan 0.000 0.529 54 W N -0.521 120.861 121.300 0.137 0.000 2.388 54 W HA -0.013 4.647 4.660 -0.000 0.000 0.294 54 W C 2.092 178.665 176.519 0.089 0.000 1.212 54 W CA 0.943 58.350 57.345 0.103 0.000 1.271 54 W CB -0.906 28.637 29.460 0.139 0.000 1.126 54 W HN 0.548 nan 8.180 nan 0.000 0.535 55 Q N 0.373 120.354 119.800 0.301 0.000 2.170 55 Q HA -0.057 4.283 4.340 -0.000 0.000 0.203 55 Q C 2.333 178.422 176.000 0.147 0.000 0.976 55 Q CA 2.288 58.203 55.803 0.187 0.000 0.858 55 Q CB -0.920 27.902 28.738 0.139 0.000 0.907 55 Q HN 0.143 nan 8.270 nan 0.000 0.433 56 G N 0.382 109.279 108.800 0.163 0.000 2.408 56 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.217 56 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.217 56 G C 1.425 176.434 174.900 0.182 0.000 1.150 56 G CA 0.825 46.002 45.100 0.129 0.000 0.776 56 G HN 0.415 nan 8.290 nan 0.000 0.542 57 I N 0.492 121.234 120.570 0.286 0.000 2.202 57 I HA -0.127 4.043 4.170 -0.000 0.000 0.242 57 I C 2.647 178.875 176.117 0.184 0.000 1.091 57 I CA 0.805 62.299 61.300 0.323 0.000 1.368 57 I CB -0.235 37.917 38.000 0.252 0.000 1.058 57 I HN 0.134 nan 8.210 nan 0.000 0.410 58 I N 1.027 121.675 120.570 0.130 0.000 2.208 58 I HA -0.333 3.837 4.170 -0.000 0.000 0.245 58 I C 2.222 178.369 176.117 0.050 0.000 1.097 58 I CA 1.360 62.701 61.300 0.069 0.000 1.363 58 I CB -0.557 37.480 38.000 0.061 0.000 1.051 58 I HN 0.327 nan 8.210 nan 0.000 0.413 59 N N 0.848 119.575 118.700 0.045 0.000 2.120 59 N HA -0.142 4.598 4.740 -0.000 0.000 0.188 59 N C 1.711 177.196 175.510 -0.041 0.000 1.024 59 N CA 1.131 54.178 53.050 -0.006 0.000 0.852 59 N CB -0.220 38.250 38.487 -0.029 0.000 1.003 59 N HN 0.230 nan 8.380 nan 0.000 0.424 60 K N 0.805 121.183 120.400 -0.037 0.000 2.365 60 K HA 0.126 4.446 4.320 -0.000 0.000 0.199 60 K C 1.942 178.581 176.600 0.065 0.000 1.045 60 K CA 0.162 56.412 56.287 -0.061 0.000 0.962 60 K CB -0.085 32.378 32.500 -0.061 0.000 0.759 60 K HN 0.319 nan 8.250 nan 0.000 0.469 61 I N 1.130 121.742 120.570 0.070 0.000 2.500 61 I HA -0.181 3.989 4.170 -0.000 0.000 0.252 61 I C 1.235 177.366 176.117 0.023 0.000 1.142 61 I CA 0.695 62.025 61.300 0.049 0.000 1.451 61 I CB -0.035 37.986 38.000 0.036 0.000 1.093 61 I HN 0.089 nan 8.210 nan 0.000 0.430 62 N N 0.819 119.526 118.700 0.013 0.000 2.416 62 N HA -0.104 4.636 4.740 -0.000 0.000 0.177 62 N C 0.901 176.410 175.510 -0.001 0.000 1.036 62 N CA 0.946 53.998 53.050 0.003 0.000 0.901 62 N CB -0.192 38.296 38.487 0.001 0.000 0.976 62 N HN 0.462 nan 8.380 nan 0.000 0.444 63 D N -1.160 119.235 120.400 -0.007 0.000 2.342 63 D HA 0.183 4.823 4.640 -0.000 0.000 0.221 63 D C 1.156 177.469 176.300 0.021 0.000 1.101 63 D CA 0.109 54.104 54.000 -0.008 0.000 0.837 63 D CB -0.269 40.505 40.800 -0.043 0.000 0.938 63 D HN 0.135 nan 8.370 nan 0.000 0.508 64 G N 0.055 108.873 108.800 0.031 0.000 2.184 64 G HA2 -0.473 3.487 3.960 -0.000 0.000 0.264 64 G HA3 -0.473 3.487 3.960 -0.000 0.000 0.264 64 G C 0.728 175.672 174.900 0.074 0.000 0.975 64 G CA 0.475 45.598 45.100 0.039 0.000 0.642 64 G HN 0.392 nan 8.290 nan 0.000 0.536 65 Y N 0.881 121.178 120.300 -0.004 0.000 2.128 65 Y HA -0.008 4.542 4.550 -0.000 0.000 0.284 65 Y C 2.659 178.606 175.900 0.078 0.000 1.154 65 Y CA 2.538 60.676 58.100 0.063 0.000 1.149 65 Y CB -0.307 38.133 38.460 -0.032 0.000 0.976 65 Y HN 0.326 nan 8.280 nan 0.000 0.505 66 L N -1.000 120.215 121.223 -0.014 0.000 2.068 66 L HA -0.136 4.204 4.340 -0.000 0.000 0.204 66 L C 2.620 179.384 176.870 -0.178 0.000 1.076 66 L CA 1.555 56.285 54.840 -0.185 0.000 0.753 66 L CB -1.194 40.808 42.059 -0.095 0.000 0.910 66 L HN 0.318 nan 8.230 nan 0.000 0.439 67 T N -2.363 112.140 114.554 -0.084 0.000 2.684 67 T HA -0.146 4.204 4.350 -0.000 0.000 0.267 67 T C 1.971 176.623 174.700 -0.082 0.000 1.036 67 T CA 1.188 63.243 62.100 -0.073 0.000 1.148 67 T CB -1.157 67.689 68.868 -0.036 0.000 0.863 67 T HN 0.375 nan 8.240 nan 0.000 0.436 68 G N 0.562 109.335 108.800 -0.045 0.000 2.479 68 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.220 68 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.220 68 G C 1.509 176.386 174.900 -0.037 0.000 1.115 68 G CA 0.803 45.911 45.100 0.013 0.000 0.757 68 G HN 0.551 nan 8.290 nan 0.000 0.560 69 M N -0.122 119.319 119.600 -0.265 0.000 2.514 69 M HA 0.248 4.728 4.480 -0.000 0.000 0.258 69 M C 1.703 177.789 176.300 -0.355 0.000 1.119 69 M CA 1.141 56.074 55.300 -0.611 0.000 1.111 69 M CB 0.392 32.403 32.600 -0.982 0.000 1.390 69 M HN 0.355 nan 8.290 nan 0.000 0.475 70 G N 0.684 109.348 108.800 -0.226 0.000 2.144 70 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.218 70 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.218 70 G C -0.100 174.712 174.900 -0.146 0.000 0.988 70 G CA 0.061 45.064 45.100 -0.162 0.000 0.659 70 G HN 0.324 nan 8.290 nan 0.000 0.522 71 V N 1.741 121.556 119.914 -0.164 0.000 2.572 71 V HA 0.471 4.591 4.120 -0.000 0.000 0.291 71 V C 1.606 177.658 176.094 -0.070 0.000 1.039 71 V CA 1.380 63.619 62.300 -0.102 0.000 1.055 71 V CB 1.326 33.069 31.823 -0.134 0.000 0.969 71 V HN 0.802 nan 8.190 nan 0.000 0.482 72 T N 0.874 115.401 114.554 -0.044 0.000 3.091 72 T HA 0.677 5.027 4.350 -0.000 0.000 0.277 72 T C 0.030 174.719 174.700 -0.020 0.000 0.996 72 T CA 0.368 62.433 62.100 -0.058 0.000 0.897 72 T CB 0.418 69.219 68.868 -0.112 0.000 1.109 72 T HN 1.061 nan 8.240 nan 0.000 0.534 73 A N 1.515 124.375 122.820 0.066 0.000 2.594 73 A HA 0.727 5.047 4.320 -0.000 0.000 0.296 73 A C -1.252 176.473 177.584 0.235 0.000 1.061 73 A CA -1.199 50.942 52.037 0.174 0.000 0.689 73 A CB 0.983 20.156 19.000 0.287 0.000 1.280 73 A HN 0.778 nan 8.150 nan 0.000 0.406 74 I N -2.156 118.569 120.570 0.257 0.000 2.689 74 I HA 0.893 5.063 4.170 -0.000 0.000 0.299 74 I C -1.082 175.245 176.117 0.351 0.000 1.059 74 I CA -0.803 60.658 61.300 0.269 0.000 1.055 74 I CB 2.140 40.238 38.000 0.163 0.000 1.243 74 I HN 0.787 nan 8.210 nan 0.000 0.425 75 W N 8.607 129.987 121.300 0.133 0.000 2.424 75 W HA 0.700 5.360 4.660 -0.000 0.000 0.318 75 W C -1.287 175.254 176.519 0.037 0.000 1.016 75 W CA -1.867 55.550 57.345 0.121 0.000 1.268 75 W CB 0.773 30.352 29.460 0.198 0.000 1.297 75 W HN 0.651 nan 8.180 nan 0.000 0.428 76 I N 2.686 123.440 120.570 0.307 0.000 2.822 76 I HA 0.650 4.820 4.170 -0.000 0.000 0.312 76 I C 0.376 176.490 176.117 -0.005 0.000 1.011 76 I CA -0.791 60.534 61.300 0.041 0.000 1.105 76 I CB 1.597 39.631 38.000 0.057 0.000 1.291 76 I HN 0.229 nan 8.210 nan 0.000 0.474 77 S N 2.174 117.715 115.700 -0.265 0.000 2.569 77 S HA -0.039 4.431 4.470 -0.000 0.000 0.274 77 S C 0.023 174.525 174.600 -0.163 0.000 1.353 77 S CA -0.353 57.616 58.200 -0.384 0.000 1.023 77 S CB 0.247 63.076 63.200 -0.618 0.000 0.876 77 S HN 0.724 nan 8.310 nan 0.000 0.540 78 Q N 2.293 121.970 119.800 -0.206 0.000 2.269 78 Q HA 0.002 4.342 4.340 -0.000 0.000 0.300 78 Q C -1.582 174.453 176.000 0.058 0.000 1.070 78 Q CA -1.084 54.659 55.803 -0.099 0.000 0.957 78 Q CB 0.564 29.203 28.738 -0.165 0.000 1.131 78 Q HN 0.327 nan 8.270 nan 0.000 0.377 79 P HA -0.043 nan 4.420 nan 0.000 0.235 79 P C 0.377 177.812 177.300 0.227 0.000 1.177 79 P CA 0.311 63.560 63.100 0.249 0.000 0.785 79 P CB -0.154 31.393 31.700 -0.256 0.000 0.885 80 V N -1.149 118.785 119.914 0.034 0.000 3.096 80 V HA 0.158 4.278 4.120 -0.000 0.000 0.306 80 V C 0.493 176.593 176.094 0.010 0.000 1.088 80 V CA -0.896 61.496 62.300 0.154 0.000 1.129 80 V CB 0.016 31.889 31.823 0.083 0.000 1.014 80 V HN 0.009 nan 8.190 nan 0.000 0.486 81 E N 3.087 123.300 120.200 0.022 0.000 2.465 81 E HA 0.052 4.402 4.350 -0.000 0.000 0.260 81 E C -0.052 176.427 176.600 -0.202 0.000 0.980 81 E CA 0.195 56.537 56.400 -0.097 0.000 0.927 81 E CB 0.232 29.919 29.700 -0.021 0.000 0.934 81 E HN 0.897 nan 8.360 nan 0.000 0.459 82 N N 2.805 121.310 118.700 -0.325 0.000 2.518 82 N HA 0.329 5.069 4.740 -0.000 0.000 0.284 82 N C 0.061 175.333 175.510 -0.398 0.000 1.230 82 N CA -0.780 52.103 53.050 -0.279 0.000 0.941 82 N CB 0.918 39.242 38.487 -0.272 0.000 1.219 82 N HN 0.462 nan 8.380 nan 0.000 0.560 83 I N -1.140 119.325 120.570 -0.175 0.000 2.882 83 I HA 0.059 4.229 4.170 -0.000 0.000 0.286 83 I C -0.209 175.750 176.117 -0.263 0.000 1.139 83 I CA -0.095 61.115 61.300 -0.149 0.000 1.379 83 I CB 0.304 38.313 38.000 0.016 0.000 1.410 83 I HN 0.623 nan 8.210 nan 0.000 0.594 84 Y N 2.027 122.339 120.300 0.020 0.000 2.458 84 Y HA 0.155 4.704 4.550 -0.000 0.000 0.256 84 Y C 1.397 177.320 175.900 0.039 0.000 1.159 84 Y CA -0.320 57.789 58.100 0.015 0.000 1.261 84 Y CB -0.199 38.237 38.460 -0.040 0.000 1.119 84 Y HN 0.648 nan 8.280 nan 0.000 0.524 85 S N 0.715 116.499 115.700 0.140 0.000 2.585 85 S HA 0.378 4.848 4.470 -0.000 0.000 0.273 85 S C -0.289 174.375 174.600 0.106 0.000 1.339 85 S CA -0.587 57.660 58.200 0.077 0.000 1.028 85 S CB 1.132 64.311 63.200 -0.036 0.000 0.906 85 S HN 0.195 nan 8.310 nan 0.000 0.528 86 I N 1.912 122.529 120.570 0.077 0.000 2.307 86 I HA 0.311 4.481 4.170 -0.000 0.000 0.289 86 I C -0.506 175.624 176.117 0.021 0.000 1.021 86 I CA -0.465 60.891 61.300 0.092 0.000 1.224 86 I CB 0.637 38.690 38.000 0.089 0.000 1.376 86 I HN 0.538 nan 8.210 nan 0.000 0.470 87 I N 6.617 127.184 120.570 -0.005 0.000 2.342 87 I HA 0.138 4.308 4.170 -0.000 0.000 0.291 87 I C 0.489 176.463 176.117 -0.237 0.000 1.010 87 I CA -0.208 60.978 61.300 -0.189 0.000 1.308 87 I CB 0.653 38.395 38.000 -0.430 0.000 1.400 87 I HN 0.541 nan 8.210 nan 0.000 0.488 88 N N 6.687 125.289 118.700 -0.162 0.000 2.469 88 N HA 0.102 4.842 4.740 -0.000 0.000 0.239 88 N C -1.394 174.085 175.510 -0.051 0.000 1.053 88 N CA -0.257 52.750 53.050 -0.072 0.000 0.937 88 N CB 0.477 38.967 38.487 0.005 0.000 1.163 88 N HN 0.328 nan 8.380 nan 0.000 0.509 89 Y N 2.245 122.599 120.300 0.090 0.000 2.880 89 Y HA 0.169 4.719 4.550 -0.000 0.000 0.329 89 Y C 0.850 176.768 175.900 0.030 0.000 1.156 89 Y CA -0.869 57.264 58.100 0.054 0.000 1.348 89 Y CB 0.020 38.522 38.460 0.070 0.000 1.280 89 Y HN 0.512 nan 8.280 nan 0.000 0.516 90 S N 2.132 117.931 115.700 0.166 0.000 3.766 90 S HA -0.145 4.325 4.470 -0.000 0.000 0.416 90 S C 1.250 175.896 174.600 0.076 0.000 0.902 90 S CA 1.060 59.314 58.200 0.090 0.000 1.283 90 S CB -1.361 61.879 63.200 0.067 0.000 0.891 90 S HN 1.635 nan 8.310 nan 0.000 0.556 91 G N -0.657 108.182 108.800 0.065 0.000 2.189 91 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.267 91 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.267 91 G C 0.125 175.061 174.900 0.060 0.000 0.975 91 G CA 0.269 45.400 45.100 0.051 0.000 0.644 91 G HN 1.677 nan 8.290 nan 0.000 0.537 92 V N 1.218 121.184 119.914 0.087 0.000 2.357 92 V HA 0.471 4.591 4.120 -0.000 0.000 0.284 92 V C 0.081 176.233 176.094 0.097 0.000 1.018 92 V CA -1.507 60.851 62.300 0.096 0.000 0.841 92 V CB 1.477 33.373 31.823 0.121 0.000 0.991 92 V HN 0.252 nan 8.190 nan 0.000 0.437 93 N N 4.280 123.025 118.700 0.075 0.000 2.513 93 N HA 0.334 5.074 4.740 -0.000 0.000 0.268 93 N C -0.380 175.197 175.510 0.112 0.000 1.180 93 N CA 0.210 53.302 53.050 0.071 0.000 0.948 93 N CB 0.581 39.105 38.487 0.062 0.000 1.083 93 N HN 0.748 nan 8.380 nan 0.000 0.455 94 N N -0.629 118.151 118.700 0.134 0.000 2.357 94 N HA 0.485 5.225 4.740 -0.000 0.000 0.284 94 N C -0.718 174.954 175.510 0.270 0.000 1.236 94 N CA -0.511 52.685 53.050 0.242 0.000 0.774 94 N CB 2.231 40.958 38.487 0.400 0.000 1.534 94 N HN 0.570 nan 8.380 nan 0.000 0.478 95 T N -3.280 111.422 114.554 0.247 0.000 2.838 95 T HA 0.592 4.942 4.350 -0.000 0.000 0.292 95 T C -0.232 174.338 174.700 -0.218 0.000 1.113 95 T CA -0.699 61.508 62.100 0.180 0.000 1.008 95 T CB 1.500 70.504 68.868 0.226 0.000 1.259 95 T HN 0.389 nan 8.240 nan 0.000 0.520 96 A N 0.526 123.138 122.820 -0.346 0.000 2.579 96 A HA 0.326 4.646 4.320 -0.000 0.000 0.273 96 A C 1.262 178.164 177.584 -1.136 0.000 1.363 96 A CA -0.154 51.285 52.037 -0.996 0.000 0.953 96 A CB -1.619 17.121 19.000 -0.434 0.000 1.034 96 A HN 0.975 nan 8.150 nan 0.000 0.536 97 Y N 0.103 119.686 120.300 -1.195 0.000 2.298 97 Y HA -0.343 4.207 4.550 -0.000 0.000 0.287 97 Y C 1.776 177.354 175.900 -0.536 0.000 1.164 97 Y CA 1.865 59.267 58.100 -1.163 0.000 1.229 97 Y CB -1.213 36.714 38.460 -0.889 0.000 0.977 97 Y HN 0.665 nan 8.280 nan 0.000 0.538 98 H N -1.365 116.931 119.070 -1.290 0.000 2.547 98 H HA 0.322 4.878 4.556 -0.000 0.000 0.272 98 H C 1.943 176.821 175.328 -0.750 0.000 0.989 98 H CA 0.054 55.507 56.048 -0.991 0.000 1.214 98 H CB -0.609 28.728 29.762 -0.708 0.000 1.389 98 H HN 0.417 nan 8.280 nan 0.000 0.577 99 G N -0.124 108.265 108.800 -0.685 0.000 2.153 99 G HA2 -0.377 3.582 3.960 -0.000 0.000 0.252 99 G HA3 -0.377 3.582 3.960 -0.000 0.000 0.252 99 G C 0.295 175.010 174.900 -0.308 0.000 0.994 99 G CA 0.630 45.488 45.100 -0.404 0.000 0.698 99 G HN 0.535 nan 8.290 nan 0.000 0.521 100 Y N -1.520 118.818 120.300 0.064 0.000 2.466 100 Y HA 0.334 4.884 4.550 -0.000 0.000 0.272 100 Y C 0.961 177.125 175.900 0.441 0.000 1.169 100 Y CA -0.342 57.897 58.100 0.230 0.000 1.285 100 Y CB 0.357 38.962 38.460 0.241 0.000 1.078 100 Y HN 0.406 nan 8.280 nan 0.000 0.523 101 W N 1.498 122.956 121.300 0.262 0.000 2.147 101 W HA 0.679 5.339 4.660 -0.000 0.000 0.325 101 W C 0.162 176.673 176.519 -0.014 0.000 0.855 101 W CA -2.079 55.365 57.345 0.164 0.000 1.642 101 W CB -0.726 28.799 29.460 0.107 0.000 1.750 101 W HN -0.167 nan 8.180 nan 0.000 0.359 102 A N 2.429 125.323 122.820 0.124 0.000 2.425 102 A HA 0.486 4.806 4.320 -0.000 0.000 0.242 102 A C 1.349 178.886 177.584 -0.078 0.000 1.077 102 A CA 0.151 52.075 52.037 -0.188 0.000 0.781 102 A CB 0.606 19.164 19.000 -0.737 0.000 1.020 102 A HN 0.686 nan 8.150 nan 0.000 0.494 103 R N -0.503 119.935 120.500 -0.102 0.000 2.573 103 R HA 0.274 4.614 4.340 -0.000 0.000 0.224 103 R C -0.880 175.532 176.300 0.187 0.000 0.904 103 R CA 0.278 56.438 56.100 0.099 0.000 0.995 103 R CB 0.665 31.035 30.300 0.116 0.000 1.430 103 R HN 0.493 nan 8.270 nan 0.000 0.631 104 D N 0.063 120.498 120.400 0.057 0.000 2.478 104 D HA 0.194 4.834 4.640 -0.000 0.000 0.240 104 D C -0.641 175.785 176.300 0.210 0.000 1.364 104 D CA -0.668 53.474 54.000 0.237 0.000 0.987 104 D CB 0.938 41.875 40.800 0.228 0.000 1.328 104 D HN 0.041 nan 8.370 nan 0.000 0.584 105 F N 1.711 121.921 119.950 0.433 0.000 2.699 105 F HA 0.091 4.618 4.527 -0.000 0.000 0.298 105 F C 2.039 178.120 175.800 0.468 0.000 1.154 105 F CA 0.639 58.889 58.000 0.417 0.000 1.457 105 F CB 0.323 39.524 39.000 0.334 0.000 1.106 105 F HN 0.121 nan 8.300 nan 0.000 0.585 106 K N -0.069 120.606 120.400 0.459 0.000 2.373 106 K HA 0.175 4.495 4.320 -0.000 0.000 0.202 106 K C 0.114 176.802 176.600 0.146 0.000 1.025 106 K CA 0.171 56.599 56.287 0.234 0.000 1.115 106 K CB 0.519 33.124 32.500 0.175 0.000 0.858 106 K HN 0.172 nan 8.250 nan 0.000 0.525 107 K N 0.718 121.267 120.400 0.248 0.000 2.395 107 K HA 0.238 4.558 4.320 -0.000 0.000 0.245 107 K C -0.207 176.577 176.600 0.307 0.000 1.017 107 K CA -0.750 55.651 56.287 0.191 0.000 0.852 107 K CB 1.818 34.404 32.500 0.143 0.000 1.311 107 K HN -0.057 nan 8.250 nan 0.000 0.452 108 T N -1.690 113.030 114.554 0.276 0.000 2.902 108 T HA 0.214 4.564 4.350 -0.000 0.000 0.280 108 T C 0.084 174.872 174.700 0.147 0.000 0.992 108 T CA -0.845 61.476 62.100 0.369 0.000 1.015 108 T CB 0.861 70.021 68.868 0.487 0.000 1.044 108 T HN 0.443 nan 8.240 nan 0.000 0.520 109 N N 2.033 120.754 118.700 0.035 0.000 2.415 109 N HA 0.244 4.984 4.740 -0.000 0.000 0.246 109 N C -1.852 173.487 175.510 -0.287 0.000 1.078 109 N CA -2.280 50.619 53.050 -0.251 0.000 0.942 109 N CB 1.011 39.133 38.487 -0.608 0.000 1.140 109 N HN 0.290 nan 8.380 nan 0.000 0.501 110 P HA -0.181 nan 4.420 nan 0.000 0.217 110 P C 0.866 178.042 177.300 -0.206 0.000 1.151 110 P CA 1.559 64.594 63.100 -0.109 0.000 0.849 110 P CB 0.203 31.891 31.700 -0.020 0.000 0.787 111 A N -1.578 121.048 122.820 -0.324 0.000 1.908 111 A HA -0.242 4.078 4.320 -0.000 0.000 0.218 111 A C 1.997 179.453 177.584 -0.214 0.000 1.181 111 A CA 1.636 53.475 52.037 -0.330 0.000 0.627 111 A CB -1.792 16.914 19.000 -0.490 0.000 0.818 111 A HN 0.123 nan 8.150 nan 0.000 0.445 112 Y N -0.803 119.223 120.300 -0.456 0.000 2.184 112 Y HA 0.340 4.890 4.550 -0.000 0.000 0.290 112 Y C 1.671 177.039 175.900 -0.886 0.000 1.129 112 Y CA 0.319 57.873 58.100 -0.911 0.000 1.144 112 Y CB -0.893 36.592 38.460 -1.626 0.000 0.995 112 Y HN 0.488 nan 8.280 nan 0.000 0.513 113 G N -1.443 107.054 108.800 -0.505 0.000 2.327 113 G HA2 0.341 4.301 3.960 -0.000 0.000 0.291 113 G HA3 0.341 4.301 3.960 -0.000 0.000 0.291 113 G C -0.732 174.295 174.900 0.213 0.000 1.290 113 G CA -0.461 44.644 45.100 0.008 0.000 0.857 113 G HN 0.219 nan 8.290 nan 0.000 0.520 114 T N -1.654 113.108 114.554 0.346 0.000 2.884 114 T HA 0.576 4.926 4.350 -0.000 0.000 0.277 114 T C 1.616 176.582 174.700 0.443 0.000 0.976 114 T CA -0.385 61.902 62.100 0.312 0.000 0.956 114 T CB 0.887 69.870 68.868 0.192 0.000 1.113 114 T HN 0.421 nan 8.240 nan 0.000 0.554 115 I N 0.716 121.460 120.570 0.290 0.000 2.208 115 I HA -0.134 4.036 4.170 -0.000 0.000 0.245 115 I C 3.039 179.306 176.117 0.250 0.000 1.097 115 I CA 1.896 63.342 61.300 0.242 0.000 1.363 115 I CB -2.005 36.057 38.000 0.103 0.000 1.051 115 I HN 0.870 nan 8.210 nan 0.000 0.413 116 A N 0.661 123.598 122.820 0.194 0.000 1.902 116 A HA -0.224 4.096 4.320 -0.000 0.000 0.217 116 A C 2.013 179.706 177.584 0.183 0.000 1.181 116 A CA 1.932 54.061 52.037 0.152 0.000 0.623 116 A CB -0.602 18.467 19.000 0.114 0.000 0.818 116 A HN 0.351 nan 8.150 nan 0.000 0.443 117 D N -1.107 119.455 120.400 0.270 0.000 2.123 117 D HA -0.151 4.489 4.640 -0.000 0.000 0.196 117 D C 1.612 178.076 176.300 0.274 0.000 0.992 117 D CA 1.250 55.445 54.000 0.324 0.000 0.833 117 D CB -0.446 40.652 40.800 0.497 0.000 0.954 117 D HN 0.451 nan 8.370 nan 0.000 0.455 118 F N 1.684 121.705 119.950 0.118 0.000 2.134 118 F HA -0.191 4.336 4.527 -0.000 0.000 0.299 118 F C 2.417 178.126 175.800 -0.151 0.000 1.097 118 F CA 1.480 59.321 58.000 -0.265 0.000 1.264 118 F CB -0.156 38.686 39.000 -0.264 0.000 1.001 118 F HN -0.046 nan 8.300 nan 0.000 0.479 119 Q N -0.076 119.762 119.800 0.063 0.000 2.084 119 Q HA -0.226 4.114 4.340 -0.000 0.000 0.202 119 Q C 1.881 177.815 176.000 -0.111 0.000 0.978 119 Q CA 2.002 57.791 55.803 -0.024 0.000 0.844 119 Q CB -0.601 28.169 28.738 0.053 0.000 0.898 119 Q HN 0.597 nan 8.270 nan 0.000 0.426 120 N N 0.564 119.232 118.700 -0.053 0.000 2.120 120 N HA -0.155 4.585 4.740 -0.000 0.000 0.188 120 N C 1.737 177.173 175.510 -0.125 0.000 1.024 120 N CA 0.658 53.677 53.050 -0.052 0.000 0.852 120 N CB -0.088 38.408 38.487 0.016 0.000 1.003 120 N HN 0.082 nan 8.380 nan 0.000 0.424 121 L N 1.312 122.414 121.223 -0.202 0.000 2.046 121 L HA -0.086 4.253 4.340 -0.000 0.000 0.208 121 L C 1.760 178.401 176.870 -0.382 0.000 1.077 121 L CA 1.417 56.088 54.840 -0.282 0.000 0.747 121 L CB -0.396 41.402 42.059 -0.435 0.000 0.896 121 L HN 0.200 nan 8.230 nan 0.000 0.432 122 I N -0.102 120.157 120.570 -0.518 0.000 2.226 122 I HA -0.244 3.926 4.170 -0.000 0.000 0.245 122 I C 2.614 178.415 176.117 -0.526 0.000 1.100 122 I CA 1.377 62.317 61.300 -0.599 0.000 1.374 122 I CB -1.551 36.121 38.000 -0.547 0.000 1.057 122 I HN 0.387 nan 8.210 nan 0.000 0.413 123 A N 0.949 123.596 122.820 -0.289 0.000 1.898 123 A HA -0.075 4.245 4.320 -0.000 0.000 0.216 123 A C 2.585 180.113 177.584 -0.094 0.000 1.181 123 A CA 1.819 53.768 52.037 -0.146 0.000 0.620 123 A CB -0.733 18.221 19.000 -0.075 0.000 0.819 123 A HN 0.410 nan 8.150 nan 0.000 0.442 124 A N -0.132 122.627 122.820 -0.101 0.000 1.902 124 A HA 0.169 4.489 4.320 -0.000 0.000 0.217 124 A C 2.492 180.048 177.584 -0.046 0.000 1.181 124 A CA 2.114 54.118 52.037 -0.055 0.000 0.623 124 A CB -0.986 17.988 19.000 -0.044 0.000 0.818 124 A HN 0.981 nan 8.150 nan 0.000 0.443 125 A N -0.619 122.147 122.820 -0.091 0.000 1.841 125 A HA -0.184 4.136 4.320 -0.000 0.000 0.214 125 A C 1.924 179.542 177.584 0.057 0.000 1.195 125 A CA 1.597 53.609 52.037 -0.041 0.000 0.611 125 A CB -1.196 17.750 19.000 -0.091 0.000 0.835 125 A HN 0.734 nan 8.150 nan 0.000 0.443 126 H N -0.715 118.324 119.070 -0.053 0.000 2.426 126 H HA -0.090 4.465 4.556 -0.000 0.000 0.298 126 H C 2.320 177.622 175.328 -0.042 0.000 1.107 126 H CA 0.600 56.620 56.048 -0.047 0.000 1.298 126 H CB 0.009 29.744 29.762 -0.044 0.000 1.377 126 H HN 0.569 nan 8.280 nan 0.000 0.519 127 A N 0.770 123.640 122.820 0.084 0.000 2.067 127 A HA -0.088 4.232 4.320 -0.000 0.000 0.219 127 A C 1.697 179.289 177.584 0.014 0.000 1.158 127 A CA 1.029 53.086 52.037 0.034 0.000 0.661 127 A CB 0.144 19.153 19.000 0.015 0.000 0.801 127 A HN 0.141 nan 8.150 nan 0.000 0.452 128 K N -0.081 120.328 120.400 0.015 0.000 2.514 128 K HA 0.122 4.442 4.320 -0.000 0.000 0.207 128 K C -0.388 176.205 176.600 -0.011 0.000 1.035 128 K CA -0.316 55.970 56.287 -0.002 0.000 1.113 128 K CB 0.152 32.650 32.500 -0.003 0.000 0.846 128 K HN 0.421 nan 8.250 nan 0.000 0.491 129 N N 0.921 119.616 118.700 -0.009 0.000 2.747 129 N HA -0.197 4.543 4.740 -0.000 0.000 0.249 129 N C -0.661 174.828 175.510 -0.035 0.000 1.107 129 N CA 0.736 53.763 53.050 -0.039 0.000 0.707 129 N CB -1.432 37.018 38.487 -0.061 0.000 1.054 129 N HN 0.344 nan 8.380 nan 0.000 0.555 130 I N 0.813 121.393 120.570 0.017 0.000 2.362 130 I HA 0.177 4.347 4.170 -0.000 0.000 0.289 130 I C 0.610 176.794 176.117 0.112 0.000 0.994 130 I CA -0.564 60.756 61.300 0.034 0.000 1.158 130 I CB 1.324 39.342 38.000 0.030 0.000 1.315 130 I HN -0.203 nan 8.210 nan 0.000 0.451 131 K N 4.743 125.191 120.400 0.081 0.000 2.154 131 K HA 0.517 4.837 4.320 -0.000 0.000 0.264 131 K C -0.858 175.887 176.600 0.242 0.000 1.008 131 K CA -0.564 55.823 56.287 0.167 0.000 0.937 131 K CB 1.716 34.232 32.500 0.027 0.000 1.002 131 K HN 0.285 nan 8.250 nan 0.000 0.469 132 V N 4.420 124.492 119.914 0.264 0.000 2.357 132 V HA 0.349 4.469 4.120 -0.000 0.000 0.284 132 V C -0.173 176.065 176.094 0.241 0.000 1.018 132 V CA -0.715 61.691 62.300 0.177 0.000 0.841 132 V CB 0.911 32.721 31.823 -0.022 0.000 0.991 132 V HN 0.595 nan 8.190 nan 0.000 0.437 133 I N 6.106 126.828 120.570 0.253 0.000 2.412 133 I HA 0.573 4.743 4.170 -0.000 0.000 0.296 133 I C -0.213 176.008 176.117 0.174 0.000 0.987 133 I CA -0.614 60.803 61.300 0.195 0.000 1.180 133 I CB 1.827 39.954 38.000 0.211 0.000 1.340 133 I HN 0.638 nan 8.210 nan 0.000 0.455 134 I N 1.467 122.084 120.570 0.079 0.000 2.603 134 I HA 0.556 4.726 4.170 -0.000 0.000 0.300 134 I C -0.529 175.596 176.117 0.013 0.000 1.017 134 I CA -0.698 60.649 61.300 0.078 0.000 1.098 134 I CB 1.711 39.714 38.000 0.004 0.000 1.279 134 I HN 0.348 nan 8.210 nan 0.000 0.437 135 D N 3.635 124.099 120.400 0.107 0.000 2.341 135 D HA 0.357 4.997 4.640 -0.000 0.000 0.245 135 D C -1.615 174.771 176.300 0.143 0.000 1.106 135 D CA 0.355 54.427 54.000 0.119 0.000 0.905 135 D CB 1.394 42.306 40.800 0.187 0.000 1.202 135 D HN 0.494 nan 8.370 nan 0.000 0.426 136 F N 1.301 121.236 119.950 -0.024 0.000 2.607 136 F HA 0.466 4.993 4.527 -0.000 0.000 0.322 136 F C -1.118 174.738 175.800 0.094 0.000 1.176 136 F CA -0.813 57.197 58.000 0.018 0.000 0.977 136 F CB 1.604 40.596 39.000 -0.013 0.000 1.242 136 F HN 0.272 nan 8.300 nan 0.000 0.465 137 A N 7.604 130.326 122.820 -0.163 0.000 2.802 137 A HA 0.543 4.863 4.320 -0.000 0.000 0.344 137 A C -2.462 174.987 177.584 -0.224 0.000 1.215 137 A CA -1.176 50.807 52.037 -0.091 0.000 0.821 137 A CB -0.013 19.045 19.000 0.097 0.000 1.099 137 A HN 0.437 nan 8.150 nan 0.000 0.479 138 P HA 0.010 nan 4.420 nan 0.000 0.257 138 P C 0.686 177.928 177.300 -0.096 0.000 1.281 138 P CA 0.342 63.209 63.100 -0.389 0.000 0.826 138 P CB 0.128 31.593 31.700 -0.391 0.000 1.237 139 N N 0.884 119.530 118.700 -0.090 0.000 2.270 139 N HA -0.118 4.622 4.740 -0.000 0.000 0.181 139 N C 0.798 176.359 175.510 0.085 0.000 1.016 139 N CA 0.792 53.881 53.050 0.065 0.000 0.870 139 N CB -0.041 38.546 38.487 0.167 0.000 0.979 139 N HN 0.288 nan 8.380 nan 0.000 0.431 140 H N -4.975 114.179 119.070 0.140 0.000 2.918 140 H HA 0.261 4.817 4.556 -0.000 0.000 0.303 140 H C -0.066 175.421 175.328 0.264 0.000 1.380 140 H CA -0.088 56.053 56.048 0.155 0.000 1.134 140 H CB 0.696 30.515 29.762 0.094 0.000 1.842 140 H HN 0.042 nan 8.280 nan 0.000 0.533 141 T N -0.839 113.975 114.554 0.434 0.000 3.535 141 T HA 0.328 4.678 4.350 -0.000 0.000 0.223 141 T C 0.690 175.596 174.700 0.343 0.000 0.933 141 T CA 0.863 63.177 62.100 0.356 0.000 1.445 141 T CB -0.529 68.549 68.868 0.350 0.000 1.286 141 T HN 0.839 nan 8.240 nan 0.000 0.436 142 S N 0.719 116.504 115.700 0.141 0.000 2.705 142 S HA 0.678 5.148 4.470 -0.000 0.000 0.280 142 S C -3.361 171.069 174.600 -0.283 0.000 1.174 142 S CA -1.604 56.561 58.200 -0.058 0.000 0.823 142 S CB 1.076 64.239 63.200 -0.062 0.000 1.162 142 S HN 0.230 nan 8.310 nan 0.000 0.487 143 P HA 0.498 nan 4.420 nan 0.000 0.268 143 P C -1.063 176.107 177.300 -0.216 0.000 1.204 143 P CA 0.208 63.109 63.100 -0.332 0.000 0.768 143 P CB 0.526 31.998 31.700 -0.379 0.000 0.842 144 A N 2.324 125.129 122.820 -0.025 0.000 2.556 144 A HA 0.643 4.963 4.320 -0.000 0.000 0.294 144 A C -0.737 176.973 177.584 0.210 0.000 1.091 144 A CA -0.490 51.577 52.037 0.050 0.000 0.704 144 A CB 1.412 20.257 19.000 -0.259 0.000 1.300 144 A HN 0.280 nan 8.150 nan 0.000 0.406 145 S N 0.373 116.285 115.700 0.354 0.000 2.532 145 S HA 0.334 4.803 4.470 -0.000 0.000 0.318 145 S C 1.226 175.933 174.600 0.179 0.000 1.083 145 S CA 0.259 58.544 58.200 0.142 0.000 1.131 145 S CB 0.671 63.917 63.200 0.076 0.000 0.973 145 S HN 1.255 nan 8.310 nan 0.000 0.468 146 S N 3.228 119.069 115.700 0.235 0.000 2.465 146 S HA -0.119 4.351 4.470 -0.000 0.000 0.241 146 S C 1.249 175.921 174.600 0.121 0.000 1.000 146 S CA 1.430 59.818 58.200 0.313 0.000 0.964 146 S CB -0.087 63.370 63.200 0.429 0.000 0.763 146 S HN 0.741 nan 8.310 nan 0.000 0.512 147 D N 0.444 120.888 120.400 0.073 0.000 2.290 147 D HA 0.097 4.737 4.640 -0.000 0.000 0.224 147 D C 0.888 177.206 176.300 0.029 0.000 0.967 147 D CA 0.690 54.706 54.000 0.027 0.000 0.893 147 D CB 0.008 40.806 40.800 -0.004 0.000 1.037 147 D HN 0.528 nan 8.370 nan 0.000 0.477 148 Q N 0.308 120.132 119.800 0.040 0.000 2.394 148 Q HA 0.242 4.582 4.340 -0.000 0.000 0.259 148 Q C -2.186 173.879 176.000 0.109 0.000 1.021 148 Q CA -1.608 54.229 55.803 0.056 0.000 0.805 148 Q CB 2.299 31.060 28.738 0.039 0.000 1.226 148 Q HN -0.141 nan 8.270 nan 0.000 0.476 149 P HA -0.131 nan 4.420 nan 0.000 0.223 149 P C 0.723 178.071 177.300 0.079 0.000 1.151 149 P CA 1.063 64.211 63.100 0.080 0.000 0.787 149 P CB 0.298 32.026 31.700 0.046 0.000 0.788 150 S N -1.603 114.147 115.700 0.083 0.000 2.515 150 S HA -0.076 4.394 4.470 -0.000 0.000 0.231 150 S C 0.578 175.236 174.600 0.097 0.000 0.987 150 S CA -0.195 58.047 58.200 0.070 0.000 0.936 150 S CB -1.293 61.942 63.200 0.059 0.000 0.766 150 S HN 0.030 nan 8.310 nan 0.000 0.528 151 F N 3.764 123.701 119.950 -0.020 0.000 2.504 151 F HA 0.521 5.048 4.527 -0.000 0.000 0.369 151 F C 0.947 176.715 175.800 -0.054 0.000 1.082 151 F CA -0.438 57.538 58.000 -0.041 0.000 1.216 151 F CB -0.198 38.774 39.000 -0.047 0.000 1.108 151 F HN 0.477 nan 8.300 nan 0.000 0.554 152 A N 4.900 127.277 122.820 -0.738 0.000 5.483 152 A HA -0.335 3.985 4.320 -0.000 0.000 0.309 152 A C 0.939 178.328 177.584 -0.326 0.000 1.898 152 A CA 1.465 53.080 52.037 -0.704 0.000 0.716 152 A CB -1.502 16.774 19.000 -1.206 0.000 1.309 152 A HN 0.815 nan 8.150 nan 0.000 0.380 153 E N 1.158 121.194 120.200 -0.274 0.000 2.609 153 E HA 0.230 4.580 4.350 -0.000 0.000 0.208 153 E C 0.404 176.962 176.600 -0.071 0.000 1.013 153 E CA 0.322 56.670 56.400 -0.087 0.000 1.093 153 E CB -0.120 29.585 29.700 0.009 0.000 1.129 153 E HN 0.662 nan 8.360 nan 0.000 0.450 154 N N 0.995 119.616 118.700 -0.131 0.000 2.678 154 N HA -0.253 4.487 4.740 -0.000 0.000 0.249 154 N C 0.686 176.140 175.510 -0.094 0.000 1.119 154 N CA 0.525 53.538 53.050 -0.062 0.000 0.718 154 N CB -0.755 37.733 38.487 0.003 0.000 1.060 154 N HN 0.590 nan 8.380 nan 0.000 0.552 155 G N 0.166 108.878 108.800 -0.146 0.000 2.258 155 G HA2 -0.354 3.606 3.960 -0.000 0.000 0.274 155 G HA3 -0.354 3.606 3.960 -0.000 0.000 0.274 155 G C 0.145 175.041 174.900 -0.006 0.000 1.021 155 G CA 0.693 45.704 45.100 -0.149 0.000 0.798 155 G HN 0.640 nan 8.290 nan 0.000 0.507 156 R N -0.909 119.620 120.500 0.048 0.000 2.484 156 R HA 0.336 4.676 4.340 -0.000 0.000 0.293 156 R C 0.284 176.648 176.300 0.106 0.000 1.023 156 R CA -0.309 55.827 56.100 0.060 0.000 1.037 156 R CB 0.513 30.822 30.300 0.014 0.000 0.951 156 R HN 0.287 nan 8.270 nan 0.000 0.418 157 L N 4.734 125.977 121.223 0.034 0.000 2.287 157 L HA 0.353 4.693 4.340 -0.000 0.000 0.287 157 L C -1.436 175.304 176.870 -0.218 0.000 1.022 157 L CA -0.301 54.555 54.840 0.026 0.000 0.814 157 L CB 0.712 42.775 42.059 0.007 0.000 1.217 157 L HN 0.403 nan 8.230 nan 0.000 0.420 158 Y N 2.329 122.654 120.300 0.042 0.000 2.487 158 Y HA 0.483 5.033 4.550 -0.000 0.000 0.337 158 Y C -0.315 175.629 175.900 0.074 0.000 1.076 158 Y CA -0.639 57.488 58.100 0.046 0.000 1.115 158 Y CB 1.596 40.110 38.460 0.090 0.000 1.235 158 Y HN 0.558 nan 8.280 nan 0.000 0.468 159 D N 2.346 122.891 120.400 0.241 0.000 2.464 159 D HA 0.122 4.762 4.640 -0.000 0.000 0.243 159 D C -0.348 176.138 176.300 0.310 0.000 1.104 159 D CA -0.408 53.801 54.000 0.350 0.000 0.883 159 D CB -0.083 40.846 40.800 0.215 0.000 1.050 159 D HN 0.579 nan 8.370 nan 0.000 0.524 160 N N 3.494 122.385 118.700 0.318 0.000 2.727 160 N HA -0.240 4.500 4.740 -0.000 0.000 0.249 160 N C 0.954 176.563 175.510 0.165 0.000 1.048 160 N CA 2.059 55.232 53.050 0.204 0.000 0.714 160 N CB -1.138 37.442 38.487 0.154 0.000 0.959 160 N HN 0.868 nan 8.380 nan 0.000 0.544 161 G N -2.806 106.109 108.800 0.191 0.000 2.254 161 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.225 161 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.225 161 G C 0.217 175.265 174.900 0.247 0.000 1.003 161 G CA 0.334 45.521 45.100 0.145 0.000 0.622 161 G HN 0.701 nan 8.290 nan 0.000 0.507 162 T N 2.507 117.209 114.554 0.245 0.000 2.728 162 T HA 0.520 4.870 4.350 -0.000 0.000 0.296 162 T C 0.184 174.995 174.700 0.184 0.000 0.940 162 T CA -0.261 61.959 62.100 0.200 0.000 1.013 162 T CB 1.689 70.628 68.868 0.118 0.000 0.912 162 T HN 0.629 nan 8.240 nan 0.000 0.484 163 L N 5.343 126.645 121.223 0.132 0.000 2.513 163 L HA 0.168 4.508 4.340 -0.000 0.000 0.272 163 L C 0.721 177.475 176.870 -0.193 0.000 1.187 163 L CA 0.410 55.091 54.840 -0.266 0.000 0.895 163 L CB -0.165 41.731 42.059 -0.272 0.000 1.147 163 L HN 0.710 nan 8.230 nan 0.000 0.483 164 L N 4.489 125.554 121.223 -0.262 0.000 2.221 164 L HA 0.428 4.768 4.340 -0.000 0.000 0.202 164 L C 1.062 177.841 176.870 -0.152 0.000 1.074 164 L CA 0.581 55.307 54.840 -0.189 0.000 0.795 164 L CB -0.316 41.589 42.059 -0.256 0.000 0.960 164 L HN 0.854 nan 8.230 nan 0.000 0.458 165 G N -1.413 107.296 108.800 -0.150 0.000 2.338 165 G HA2 0.442 4.402 3.960 -0.000 0.000 0.295 165 G HA3 0.442 4.402 3.960 -0.000 0.000 0.295 165 G C -1.482 173.480 174.900 0.103 0.000 1.461 165 G CA -0.093 44.992 45.100 -0.025 0.000 0.817 165 G HN 0.141 nan 8.290 nan 0.000 0.556 166 G N -1.729 107.161 108.800 0.151 0.000 2.788 166 G HA2 0.504 4.464 3.960 -0.000 0.000 0.293 166 G HA3 0.504 4.464 3.960 -0.000 0.000 0.293 166 G C 0.230 175.175 174.900 0.076 0.000 1.305 166 G CA -0.369 44.803 45.100 0.120 0.000 1.005 166 G HN 0.639 nan 8.290 nan 0.000 0.496 167 Y N 0.222 120.320 120.300 -0.337 0.000 2.242 167 Y HA 0.065 4.615 4.550 -0.000 0.000 0.291 167 Y C 1.934 177.809 175.900 -0.041 0.000 1.137 167 Y CA 1.389 59.244 58.100 -0.408 0.000 1.181 167 Y CB 0.000 38.183 38.460 -0.462 0.000 0.989 167 Y HN 0.308 nan 8.280 nan 0.000 0.527 168 T N 2.565 117.112 114.554 -0.010 0.000 2.832 168 T HA 0.082 4.432 4.350 -0.000 0.000 0.296 168 T C -0.190 174.478 174.700 -0.055 0.000 0.968 168 T CA -0.170 61.908 62.100 -0.037 0.000 1.107 168 T CB 0.094 68.970 68.868 0.013 0.000 0.916 168 T HN 0.372 nan 8.240 nan 0.000 0.517 169 N N 2.139 120.779 118.700 -0.101 0.000 2.783 169 N HA -0.140 4.599 4.740 -0.000 0.000 0.247 169 N C -0.624 174.841 175.510 -0.076 0.000 1.089 169 N CA 0.360 53.355 53.050 -0.091 0.000 0.690 169 N CB -0.908 37.549 38.487 -0.051 0.000 0.991 169 N HN 0.699 nan 8.380 nan 0.000 0.552 170 D N 0.648 120.985 120.400 -0.104 0.000 2.671 170 D HA 0.104 4.744 4.640 -0.000 0.000 0.228 170 D C 1.558 177.830 176.300 -0.047 0.000 1.102 170 D CA 0.539 54.543 54.000 0.007 0.000 1.044 170 D CB 0.017 40.955 40.800 0.229 0.000 1.113 170 D HN 0.413 nan 8.370 nan 0.000 0.480 171 T N -0.514 114.008 114.554 -0.053 0.000 2.788 171 T HA -0.271 4.079 4.350 -0.000 0.000 0.268 171 T C 1.591 176.264 174.700 -0.046 0.000 1.044 171 T CA 1.035 63.099 62.100 -0.060 0.000 1.139 171 T CB -0.257 68.580 68.868 -0.051 0.000 0.867 171 T HN 0.451 nan 8.240 nan 0.000 0.454 172 Q N 1.114 120.892 119.800 -0.036 0.000 2.378 172 Q HA 0.106 4.446 4.340 -0.000 0.000 0.205 172 Q C 0.539 176.507 176.000 -0.053 0.000 0.954 172 Q CA 0.509 56.283 55.803 -0.048 0.000 0.901 172 Q CB -0.537 28.163 28.738 -0.063 0.000 0.981 172 Q HN 0.604 nan 8.270 nan 0.000 0.483 173 N N -0.212 118.475 118.700 -0.022 0.000 2.780 173 N HA -0.153 4.587 4.740 -0.000 0.000 0.247 173 N C 0.078 175.520 175.510 -0.114 0.000 1.076 173 N CA 0.099 53.148 53.050 -0.001 0.000 0.688 173 N CB -1.089 37.391 38.487 -0.012 0.000 0.957 173 N HN 0.292 nan 8.380 nan 0.000 0.551 174 L N -1.551 119.552 121.223 -0.199 0.000 2.275 174 L HA 0.064 4.404 4.340 -0.000 0.000 0.215 174 L C 0.573 176.990 176.870 -0.755 0.000 1.119 174 L CA 0.913 55.435 54.840 -0.531 0.000 0.790 174 L CB -0.202 41.401 42.059 -0.759 0.000 0.919 174 L HN 0.164 nan 8.230 nan 0.000 0.443 175 F N -2.697 117.151 119.950 -0.170 0.000 2.639 175 F HA 0.413 4.940 4.527 -0.000 0.000 0.339 175 F C 0.330 175.932 175.800 -0.330 0.000 1.071 175 F CA -1.032 56.817 58.000 -0.252 0.000 0.994 175 F CB 0.714 39.659 39.000 -0.091 0.000 1.341 175 F HN -0.272 nan 8.300 nan 0.000 0.498 176 H N -0.485 118.588 119.070 0.005 0.000 2.481 176 H HA 0.355 4.911 4.556 -0.000 0.000 0.339 176 H C -0.653 174.509 175.328 -0.276 0.000 1.131 176 H CA -0.473 55.536 56.048 -0.065 0.000 1.301 176 H CB 0.833 30.596 29.762 0.002 0.000 1.476 176 H HN 0.454 nan 8.280 nan 0.000 0.529 177 H N 2.376 121.560 119.070 0.191 0.000 2.624 177 H HA 0.125 4.681 4.556 -0.000 0.000 0.233 177 H C -0.158 175.192 175.328 0.038 0.000 1.376 177 H CA -0.219 55.884 56.048 0.091 0.000 1.137 177 H CB 0.271 30.005 29.762 -0.047 0.000 1.867 177 H HN 0.648 nan 8.280 nan 0.000 0.547 178 N N 0.855 119.604 118.700 0.082 0.000 2.238 178 N HA 0.143 4.883 4.740 -0.000 0.000 0.222 178 N C 1.264 176.759 175.510 -0.025 0.000 1.133 178 N CA 0.677 53.724 53.050 -0.005 0.000 0.854 178 N CB 1.908 40.352 38.487 -0.072 0.000 1.041 178 N HN 0.664 nan 8.380 nan 0.000 0.510 179 G N -0.040 108.764 108.800 0.008 0.000 2.527 179 G HA2 -0.124 3.836 3.960 -0.000 0.000 0.227 179 G HA3 -0.124 3.836 3.960 -0.000 0.000 0.227 179 G C -0.169 174.684 174.900 -0.078 0.000 1.291 179 G CA -0.475 44.610 45.100 -0.025 0.000 0.904 179 G HN 0.459 nan 8.290 nan 0.000 0.577 180 G N -1.078 107.655 108.800 -0.111 0.000 2.448 180 G HA2 0.716 4.676 3.960 -0.000 0.000 0.324 180 G HA3 0.716 4.676 3.960 -0.000 0.000 0.324 180 G C -0.098 174.667 174.900 -0.225 0.000 1.203 180 G CA 1.004 45.998 45.100 -0.177 0.000 0.954 180 G HN 1.306 nan 8.290 nan 0.000 0.480 181 T N -0.699 113.636 114.554 -0.366 0.000 2.910 181 T HA 0.303 4.653 4.350 -0.000 0.000 0.293 181 T C 0.646 175.082 174.700 -0.439 0.000 1.015 181 T CA -0.071 61.754 62.100 -0.457 0.000 1.094 181 T CB 0.969 69.414 68.868 -0.704 0.000 0.968 181 T HN 0.590 nan 8.240 nan 0.000 0.521 182 D N 2.584 122.830 120.400 -0.256 0.000 2.440 182 D HA 0.062 4.702 4.640 -0.000 0.000 0.216 182 D C 0.513 176.933 176.300 0.200 0.000 1.150 182 D CA -0.419 53.582 54.000 0.002 0.000 0.832 182 D CB -0.682 40.123 40.800 0.008 0.000 0.992 182 D HN 0.613 nan 8.370 nan 0.000 0.502 183 F N 0.453 120.345 119.950 -0.097 0.000 3.048 183 F HA -0.328 4.199 4.527 -0.000 0.000 0.287 183 F C 1.998 177.767 175.800 -0.052 0.000 0.796 183 F CA 0.750 58.709 58.000 -0.068 0.000 1.111 183 F CB -2.604 36.356 39.000 -0.067 0.000 1.320 183 F HN 0.191 nan 8.300 nan 0.000 0.430 184 S N -1.113 114.624 115.700 0.062 0.000 2.382 184 S HA 0.011 4.481 4.470 -0.000 0.000 0.228 184 S C 0.985 175.589 174.600 0.008 0.000 1.027 184 S CA 1.295 59.514 58.200 0.031 0.000 0.991 184 S CB -0.151 63.047 63.200 -0.002 0.000 0.823 184 S HN 0.739 nan 8.310 nan 0.000 0.469 185 T N -3.761 110.774 114.554 -0.032 0.000 2.883 185 T HA 0.520 4.870 4.350 -0.000 0.000 0.296 185 T C 0.635 175.281 174.700 -0.090 0.000 1.117 185 T CA -0.199 61.871 62.100 -0.051 0.000 1.006 185 T CB 1.254 70.070 68.868 -0.086 0.000 1.191 185 T HN -0.077 nan 8.240 nan 0.000 0.508 186 T N 0.522 115.026 114.554 -0.084 0.000 2.708 186 T HA -0.098 4.252 4.350 -0.000 0.000 0.266 186 T C 1.689 176.215 174.700 -0.290 0.000 1.037 186 T CA 1.913 63.940 62.100 -0.122 0.000 1.146 186 T CB -0.446 68.448 68.868 0.044 0.000 0.865 186 T HN 0.858 nan 8.240 nan 0.000 0.435 187 E N 1.169 121.074 120.200 -0.492 0.000 2.110 187 E HA -0.214 4.136 4.350 -0.000 0.000 0.193 187 E C 2.251 178.692 176.600 -0.266 0.000 0.988 187 E CA 1.003 56.988 56.400 -0.691 0.000 0.804 187 E CB -0.200 28.847 29.700 -1.089 0.000 0.745 187 E HN 0.348 nan 8.360 nan 0.000 0.458 188 N N 0.476 119.043 118.700 -0.222 0.000 2.120 188 N HA -0.112 4.628 4.740 -0.000 0.000 0.188 188 N C 1.926 177.307 175.510 -0.215 0.000 1.024 188 N CA 1.604 54.550 53.050 -0.174 0.000 0.852 188 N CB -0.383 38.011 38.487 -0.154 0.000 1.003 188 N HN 0.285 nan 8.380 nan 0.000 0.424 189 G N 0.168 108.839 108.800 -0.216 0.000 2.598 189 G HA2 -0.013 3.947 3.960 -0.000 0.000 0.215 189 G HA3 -0.013 3.947 3.960 -0.000 0.000 0.215 189 G C 1.692 176.537 174.900 -0.092 0.000 1.131 189 G CA 0.057 45.048 45.100 -0.183 0.000 0.785 189 G HN 0.309 nan 8.290 nan 0.000 0.539 190 I N -1.247 119.181 120.570 -0.235 0.000 2.385 190 I HA 0.074 4.244 4.170 -0.000 0.000 0.244 190 I C 1.372 177.173 176.117 -0.528 0.000 1.089 190 I CA 0.533 61.594 61.300 -0.399 0.000 1.410 190 I CB 0.192 37.816 38.000 -0.627 0.000 1.117 190 I HN 0.099 nan 8.210 nan 0.000 0.429 191 Y N 1.110 121.271 120.300 -0.231 0.000 2.493 191 Y HA 0.283 4.833 4.550 -0.000 0.000 0.275 191 Y C 0.466 176.104 175.900 -0.436 0.000 1.183 191 Y CA -0.122 57.694 58.100 -0.472 0.000 1.258 191 Y CB -0.194 38.006 38.460 -0.434 0.000 1.108 191 Y HN -0.058 nan 8.280 nan 0.000 0.521 192 K N 0.038 120.317 120.400 -0.202 0.000 2.350 192 K HA 0.314 4.634 4.320 -0.000 0.000 0.241 192 K C -0.715 175.758 176.600 -0.212 0.000 0.994 192 K CA -1.255 54.922 56.287 -0.183 0.000 0.839 192 K CB 1.011 33.391 32.500 -0.200 0.000 1.244 192 K HN -0.119 nan 8.250 nan 0.000 0.443 193 N N 1.399 119.981 118.700 -0.196 0.000 2.492 193 N HA 0.037 4.777 4.740 -0.000 0.000 0.260 193 N C -0.642 174.625 175.510 -0.406 0.000 1.215 193 N CA 0.032 52.935 53.050 -0.244 0.000 0.923 193 N CB 0.367 38.719 38.487 -0.224 0.000 1.092 193 N HN 0.386 nan 8.380 nan 0.000 0.448 194 L N 4.897 125.841 121.223 -0.466 0.000 2.385 194 L HA 0.088 4.428 4.340 -0.000 0.000 0.285 194 L C -0.281 176.243 176.870 -0.577 0.000 1.125 194 L CA 0.025 54.419 54.840 -0.743 0.000 0.890 194 L CB -0.751 40.901 42.059 -0.677 0.000 1.251 194 L HN 0.599 nan 8.230 nan 0.000 0.445 195 Y N 1.213 121.357 120.300 -0.260 0.000 2.896 195 Y HA -0.403 4.147 4.550 -0.000 0.000 0.466 195 Y C 1.327 177.095 175.900 -0.220 0.000 1.198 195 Y CA 0.982 58.963 58.100 -0.198 0.000 2.512 195 Y CB -1.136 37.220 38.460 -0.173 0.000 1.232 195 Y HN 0.764 nan 8.280 nan 0.000 0.632 196 D N 1.275 121.670 120.400 -0.008 0.000 2.368 196 D HA 0.235 4.875 4.640 -0.000 0.000 0.218 196 D C -0.202 175.975 176.300 -0.205 0.000 1.112 196 D CA 0.119 54.048 54.000 -0.118 0.000 0.834 196 D CB -0.600 40.161 40.800 -0.064 0.000 0.953 196 D HN 0.419 nan 8.370 nan 0.000 0.505 197 L N 1.221 122.308 121.223 -0.227 0.000 2.360 197 L HA 0.387 4.727 4.340 -0.000 0.000 0.276 197 L C 0.780 177.465 176.870 -0.308 0.000 1.121 197 L CA -0.911 53.749 54.840 -0.300 0.000 0.845 197 L CB 0.882 42.661 42.059 -0.467 0.000 1.143 197 L HN -0.011 nan 8.230 nan 0.000 0.452 198 A N 2.724 125.340 122.820 -0.339 0.000 2.526 198 A HA -0.014 4.305 4.320 -0.000 0.000 0.267 198 A C 0.002 177.602 177.584 0.025 0.000 1.095 198 A CA -0.162 51.621 52.037 -0.424 0.000 0.775 198 A CB -0.416 18.244 19.000 -0.566 0.000 1.036 198 A HN 0.727 nan 8.150 nan 0.000 0.510 199 D N 2.671 123.096 120.400 0.041 0.000 2.339 199 D HA 0.345 4.985 4.640 -0.000 0.000 0.256 199 D C 0.096 176.472 176.300 0.126 0.000 1.214 199 D CA 0.206 54.285 54.000 0.131 0.000 0.877 199 D CB 0.298 41.178 40.800 0.133 0.000 1.111 199 D HN 0.485 nan 8.370 nan 0.000 0.478 200 L N 3.512 124.713 121.223 -0.037 0.000 2.426 200 L HA 0.129 4.469 4.340 -0.000 0.000 0.271 200 L C 0.678 177.050 176.870 -0.830 0.000 1.169 200 L CA -0.265 54.329 54.840 -0.411 0.000 0.836 200 L CB 0.410 42.190 42.059 -0.466 0.000 1.112 200 L HN 0.411 nan 8.230 nan 0.000 0.465 201 N N 1.149 119.333 118.700 -0.860 0.000 2.589 201 N HA 0.118 4.858 4.740 -0.000 0.000 0.232 201 N C 0.490 175.593 175.510 -0.678 0.000 1.015 201 N CA -0.269 52.260 53.050 -0.869 0.000 0.931 201 N CB 0.398 38.495 38.487 -0.650 0.000 1.150 201 N HN 0.429 nan 8.380 nan 0.000 0.512 202 H N 0.859 119.647 119.070 -0.470 0.000 2.561 202 H HA 0.013 4.569 4.556 -0.000 0.000 0.278 202 H C 1.357 176.523 175.328 -0.271 0.000 1.014 202 H CA 0.587 56.247 56.048 -0.646 0.000 1.211 202 H CB 0.300 29.204 29.762 -1.430 0.000 1.365 202 H HN 0.555 nan 8.280 nan 0.000 0.594 203 N N 0.919 119.596 118.700 -0.038 0.000 2.398 203 N HA -0.110 4.630 4.740 -0.000 0.000 0.188 203 N C -0.034 175.486 175.510 0.015 0.000 1.122 203 N CA -0.024 53.066 53.050 0.067 0.000 0.866 203 N CB 0.132 38.691 38.487 0.121 0.000 0.970 203 N HN 0.269 nan 8.380 nan 0.000 0.462 204 N N 0.961 119.621 118.700 -0.068 0.000 2.408 204 N HA 0.046 4.786 4.740 -0.000 0.000 0.257 204 N C 0.342 175.844 175.510 -0.013 0.000 1.064 204 N CA 0.069 53.078 53.050 -0.069 0.000 0.952 204 N CB 1.419 39.811 38.487 -0.158 0.000 1.093 204 N HN -0.075 nan 8.380 nan 0.000 0.490 205 S N 2.426 118.141 115.700 0.025 0.000 2.374 205 S HA -0.134 4.336 4.470 -0.000 0.000 0.227 205 S C 1.574 176.215 174.600 0.068 0.000 1.037 205 S CA 1.693 59.933 58.200 0.067 0.000 1.024 205 S CB -0.067 63.168 63.200 0.059 0.000 0.861 205 S HN 0.721 nan 8.310 nan 0.000 0.456 206 T N 1.675 116.242 114.554 0.023 0.000 2.746 206 T HA -0.062 4.288 4.350 -0.000 0.000 0.267 206 T C 1.885 176.616 174.700 0.051 0.000 1.039 206 T CA 1.290 63.405 62.100 0.024 0.000 1.142 206 T CB -0.325 68.521 68.868 -0.037 0.000 0.866 206 T HN 0.206 nan 8.240 nan 0.000 0.444 207 V N 1.631 121.534 119.914 -0.019 0.000 2.307 207 V HA -0.156 3.964 4.120 -0.000 0.000 0.245 207 V C 2.350 178.535 176.094 0.151 0.000 1.045 207 V CA 2.052 64.339 62.300 -0.021 0.000 1.024 207 V CB -0.671 31.011 31.823 -0.235 0.000 0.651 207 V HN 0.523 nan 8.190 nan 0.000 0.449 208 D N 0.324 120.831 120.400 0.178 0.000 2.092 208 D HA -0.183 4.457 4.640 -0.000 0.000 0.193 208 D C 1.944 178.476 176.300 0.386 0.000 0.994 208 D CA 1.924 56.176 54.000 0.421 0.000 0.828 208 D CB -0.149 40.914 40.800 0.438 0.000 0.963 208 D HN 0.185 nan 8.370 nan 0.000 0.450 209 V N -0.178 119.889 119.914 0.255 0.000 2.515 209 V HA -0.196 3.924 4.120 -0.000 0.000 0.250 209 V C 2.074 178.292 176.094 0.207 0.000 1.058 209 V CA 1.751 64.167 62.300 0.195 0.000 1.064 209 V CB -0.925 30.982 31.823 0.139 0.000 0.675 209 V HN 0.354 nan 8.190 nan 0.000 0.461 210 Y N 0.687 121.058 120.300 0.118 0.000 2.114 210 Y HA -0.204 4.346 4.550 -0.000 0.000 0.284 210 Y C 2.204 178.201 175.900 0.163 0.000 1.143 210 Y CA 1.703 59.871 58.100 0.114 0.000 1.135 210 Y CB -0.337 38.168 38.460 0.075 0.000 0.980 210 Y HN 0.132 nan 8.280 nan 0.000 0.499 211 L N 0.219 121.528 121.223 0.142 0.000 2.017 211 L HA -0.256 4.084 4.340 -0.000 0.000 0.208 211 L C 2.462 179.501 176.870 0.282 0.000 1.073 211 L CA 1.906 56.821 54.840 0.125 0.000 0.745 211 L CB -0.563 41.691 42.059 0.324 0.000 0.894 211 L HN 0.173 nan 8.230 nan 0.000 0.432 212 K N -0.294 120.287 120.400 0.301 0.000 2.097 212 K HA -0.179 4.141 4.320 -0.000 0.000 0.206 212 K C 1.706 178.303 176.600 -0.006 0.000 1.049 212 K CA 1.450 57.821 56.287 0.140 0.000 0.933 212 K CB -0.140 32.401 32.500 0.068 0.000 0.717 212 K HN 0.230 nan 8.250 nan 0.000 0.442 213 D N 0.443 120.832 120.400 -0.018 0.000 2.178 213 D HA -0.089 4.551 4.640 -0.000 0.000 0.202 213 D C 1.772 178.027 176.300 -0.074 0.000 0.974 213 D CA 1.086 55.042 54.000 -0.074 0.000 0.841 213 D CB -0.097 40.674 40.800 -0.047 0.000 0.953 213 D HN 0.201 nan 8.370 nan 0.000 0.478 214 A N 0.750 123.530 122.820 -0.066 0.000 1.858 214 A HA -0.151 4.169 4.320 -0.000 0.000 0.216 214 A C 2.193 179.912 177.584 0.225 0.000 1.190 214 A CA 0.893 52.967 52.037 0.063 0.000 0.617 214 A CB -0.738 18.326 19.000 0.106 0.000 0.827 214 A HN 0.197 nan 8.150 nan 0.000 0.443 215 I N -0.286 120.393 120.570 0.181 0.000 2.454 215 I HA -0.182 3.988 4.170 -0.000 0.000 0.254 215 I C 2.070 178.211 176.117 0.040 0.000 1.156 215 I CA 1.560 62.872 61.300 0.020 0.000 1.433 215 I CB -0.311 37.576 38.000 -0.188 0.000 1.082 215 I HN 0.251 nan 8.210 nan 0.000 0.432 216 K N -0.449 119.932 120.400 -0.032 0.000 2.147 216 K HA -0.181 4.139 4.320 -0.000 0.000 0.205 216 K C 2.154 178.753 176.600 -0.001 0.000 1.049 216 K CA 1.729 57.981 56.287 -0.057 0.000 0.936 216 K CB -0.256 32.084 32.500 -0.266 0.000 0.722 216 K HN 0.395 nan 8.250 nan 0.000 0.446 217 M N -0.778 118.768 119.600 -0.089 0.000 2.132 217 M HA -0.170 4.310 4.480 -0.000 0.000 0.263 217 M C 1.211 177.354 176.300 -0.262 0.000 1.065 217 M CA 1.708 56.875 55.300 -0.222 0.000 1.122 217 M CB -0.139 32.224 32.600 -0.395 0.000 1.365 217 M HN 0.194 nan 8.290 nan 0.000 0.411 218 W N 0.751 122.050 121.300 -0.001 0.000 2.388 218 W HA -0.069 4.591 4.660 0.000 0.000 0.294 218 W C 2.056 178.609 176.519 0.056 0.000 1.212 218 W CA 0.677 58.020 57.345 -0.004 0.000 1.271 218 W CB -0.435 28.989 29.460 -0.060 0.000 1.126 218 W HN 0.192 nan 8.180 nan 0.000 0.535 219 L N -0.091 121.271 121.223 0.231 0.000 2.056 219 L HA -0.213 4.127 4.340 -0.000 0.000 0.207 219 L C 1.882 178.848 176.870 0.160 0.000 1.078 219 L CA 1.195 56.149 54.840 0.190 0.000 0.749 219 L CB -0.750 41.431 42.059 0.202 0.000 0.901 219 L HN -0.109 nan 8.230 nan 0.000 0.433 220 D N 0.021 120.509 120.400 0.146 0.000 2.263 220 D HA -0.123 4.517 4.640 -0.000 0.000 0.208 220 D C 2.218 178.570 176.300 0.087 0.000 0.971 220 D CA 1.001 55.063 54.000 0.103 0.000 0.867 220 D CB -0.012 40.836 40.800 0.080 0.000 0.929 220 D HN 0.289 nan 8.370 nan 0.000 0.492 221 L N -0.791 120.501 121.223 0.115 0.000 2.478 221 L HA 0.109 4.449 4.340 -0.000 0.000 0.223 221 L C 1.433 178.427 176.870 0.207 0.000 1.140 221 L CA 0.622 55.566 54.840 0.174 0.000 0.842 221 L CB 0.117 42.324 42.059 0.247 0.000 0.953 221 L HN 0.185 nan 8.230 nan 0.000 0.452 222 G N 0.612 109.528 108.800 0.194 0.000 2.154 222 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.186 222 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.186 222 G C 0.378 175.404 174.900 0.211 0.000 1.000 222 G CA -0.015 45.190 45.100 0.174 0.000 0.664 222 G HN 0.359 nan 8.290 nan 0.000 0.513 223 I N -1.876 118.849 120.570 0.257 0.000 2.813 223 I HA 0.412 4.582 4.170 -0.000 0.000 0.287 223 I C 0.533 176.793 176.117 0.239 0.000 1.196 223 I CA 0.194 61.645 61.300 0.253 0.000 1.421 223 I CB 0.609 38.777 38.000 0.281 0.000 1.365 223 I HN -0.062 nan 8.210 nan 0.000 0.591 224 D N 3.838 124.408 120.400 0.283 0.000 2.417 224 D HA 0.266 4.906 4.640 -0.000 0.000 0.207 224 D C 0.610 177.152 176.300 0.403 0.000 1.075 224 D CA 0.353 54.563 54.000 0.351 0.000 0.851 224 D CB 1.213 42.262 40.800 0.416 0.000 0.976 224 D HN 0.855 nan 8.370 nan 0.000 0.505 225 G N 0.381 109.327 108.800 0.244 0.000 2.601 225 G HA2 0.566 4.526 3.960 -0.000 0.000 0.291 225 G HA3 0.566 4.526 3.960 -0.000 0.000 0.291 225 G C -1.751 173.121 174.900 -0.047 0.000 1.456 225 G CA -0.675 44.472 45.100 0.077 0.000 0.804 225 G HN -0.010 nan 8.290 nan 0.000 0.499 226 I N 0.567 121.010 120.570 -0.211 0.000 2.533 226 I HA 0.495 4.665 4.170 -0.000 0.000 0.290 226 I C -0.243 175.437 176.117 -0.729 0.000 1.056 226 I CA -0.950 60.162 61.300 -0.314 0.000 1.057 226 I CB 2.425 40.317 38.000 -0.180 0.000 1.240 226 I HN 0.301 nan 8.210 nan 0.000 0.423 227 R N 7.563 127.585 120.500 -0.797 0.000 2.247 227 R HA 0.418 4.758 4.340 -0.000 0.000 0.329 227 R C -1.133 174.904 176.300 -0.437 0.000 1.014 227 R CA -0.663 54.727 56.100 -1.183 0.000 0.907 227 R CB 0.887 30.273 30.300 -1.523 0.000 1.146 227 R HN 0.574 nan 8.270 nan 0.000 0.499 228 M N 3.488 122.911 119.600 -0.294 0.000 2.194 228 M HA 0.067 4.547 4.480 -0.000 0.000 0.347 228 M C 0.251 176.589 176.300 0.063 0.000 1.439 228 M CA -0.369 54.920 55.300 -0.018 0.000 1.131 228 M CB -0.012 32.612 32.600 0.039 0.000 1.733 228 M HN 0.380 nan 8.290 nan 0.000 0.467 229 N N 2.678 121.465 118.700 0.144 0.000 2.518 229 N HA 0.308 5.048 4.740 -0.000 0.000 0.266 229 N C 0.143 175.754 175.510 0.167 0.000 1.196 229 N CA 0.668 53.849 53.050 0.219 0.000 0.947 229 N CB 0.632 39.318 38.487 0.332 0.000 1.098 229 N HN 0.796 nan 8.380 nan 0.000 0.450 230 A N 1.990 124.918 122.820 0.179 0.000 2.364 230 A HA -0.166 4.154 4.320 -0.000 0.000 0.288 230 A C 1.402 179.019 177.584 0.054 0.000 1.433 230 A CA 1.028 53.163 52.037 0.163 0.000 0.757 230 A CB -2.201 16.976 19.000 0.296 0.000 1.098 230 A HN 1.181 nan 8.150 nan 0.000 0.380 231 V N -0.631 119.279 119.914 -0.008 0.000 2.759 231 V HA -0.193 3.927 4.120 -0.000 0.000 0.256 231 V C 2.019 177.956 176.094 -0.261 0.000 1.080 231 V CA 2.272 64.535 62.300 -0.061 0.000 1.101 231 V CB -0.639 31.175 31.823 -0.015 0.000 0.698 231 V HN 0.960 nan 8.190 nan 0.000 0.477 232 K N -0.945 119.106 120.400 -0.583 0.000 2.525 232 K HA -0.069 4.251 4.320 -0.000 0.000 0.192 232 K C 1.232 177.397 176.600 -0.725 0.000 1.029 232 K CA 1.141 56.839 56.287 -0.981 0.000 1.029 232 K CB -0.381 31.073 32.500 -1.744 0.000 0.814 232 K HN 0.605 nan 8.250 nan 0.000 0.503 233 H N 0.092 119.047 119.070 -0.192 0.000 2.672 233 H HA 0.360 4.916 4.556 -0.000 0.000 0.277 233 H C -0.037 175.210 175.328 -0.135 0.000 1.074 233 H CA -0.028 55.908 56.048 -0.186 0.000 1.173 233 H CB 0.256 29.923 29.762 -0.159 0.000 1.558 233 H HN 0.169 nan 8.280 nan 0.000 0.539 234 M N 0.626 120.235 119.600 0.014 0.000 2.644 234 M HA 0.377 4.857 4.480 -0.000 0.000 0.304 234 M C -2.604 173.718 176.300 0.036 0.000 1.215 234 M CA -1.935 53.386 55.300 0.033 0.000 0.871 234 M CB 2.684 35.330 32.600 0.077 0.000 1.740 234 M HN -0.247 nan 8.290 nan 0.000 0.464 235 P HA 0.030 nan 4.420 nan 0.000 0.267 235 P C -0.071 177.427 177.300 0.330 0.000 1.209 235 P CA 0.022 63.133 63.100 0.018 0.000 0.763 235 P CB 0.170 31.962 31.700 0.154 0.000 0.816 236 F N 2.324 122.406 119.950 0.219 0.000 2.134 236 F HA -0.063 4.464 4.527 -0.000 0.000 0.299 236 F C 2.469 178.393 175.800 0.207 0.000 1.097 236 F CA 1.563 59.769 58.000 0.344 0.000 1.264 236 F CB -2.162 37.097 39.000 0.433 0.000 1.001 236 F HN 0.357 nan 8.300 nan 0.000 0.479 237 G N -1.291 107.674 108.800 0.275 0.000 2.422 237 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.218 237 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.218 237 G C 1.604 176.629 174.900 0.208 0.000 1.146 237 G CA 0.626 45.837 45.100 0.186 0.000 0.769 237 G HN 0.469 nan 8.290 nan 0.000 0.547 238 W N 1.297 122.663 121.300 0.109 0.000 2.381 238 W HA -0.032 4.628 4.660 -0.000 0.000 0.301 238 W C 2.817 179.405 176.519 0.116 0.000 1.205 238 W CA 1.570 58.975 57.345 0.099 0.000 1.285 238 W CB -0.079 29.411 29.460 0.050 0.000 1.133 238 W HN 0.284 nan 8.180 nan 0.000 0.521 239 Q N 0.223 120.147 119.800 0.206 0.000 2.170 239 Q HA -0.257 4.083 4.340 -0.000 0.000 0.203 239 Q C 2.147 178.124 176.000 -0.037 0.000 0.976 239 Q CA 1.820 57.661 55.803 0.063 0.000 0.858 239 Q CB -0.421 28.519 28.738 0.337 0.000 0.907 239 Q HN 0.359 nan 8.270 nan 0.000 0.433 240 K N 0.818 121.206 120.400 -0.019 0.000 2.057 240 K HA -0.167 4.153 4.320 -0.000 0.000 0.207 240 K C 2.306 178.833 176.600 -0.121 0.000 1.049 240 K CA 1.602 57.847 56.287 -0.070 0.000 0.931 240 K CB -0.138 32.345 32.500 -0.027 0.000 0.714 240 K HN 0.167 nan 8.250 nan 0.000 0.440 241 S N -0.143 115.456 115.700 -0.168 0.000 2.399 241 S HA -0.175 4.295 4.470 -0.000 0.000 0.231 241 S C 1.884 176.286 174.600 -0.330 0.000 1.022 241 S CA 0.823 58.891 58.200 -0.220 0.000 0.983 241 S CB -0.557 62.516 63.200 -0.213 0.000 0.803 241 S HN 0.462 nan 8.310 nan 0.000 0.480 242 F N 1.764 121.317 119.950 -0.662 0.000 2.163 242 F HA 0.129 4.656 4.527 -0.000 0.000 0.297 242 F C 2.249 177.855 175.800 -0.323 0.000 1.094 242 F CA 1.315 58.930 58.000 -0.642 0.000 1.290 242 F CB -0.251 38.185 39.000 -0.940 0.000 1.017 242 F HN 0.128 nan 8.300 nan 0.000 0.483 243 M N 0.529 120.034 119.600 -0.159 0.000 2.132 243 M HA -0.083 4.397 4.480 -0.000 0.000 0.263 243 M C 2.551 178.727 176.300 -0.207 0.000 1.065 243 M CA 1.524 56.724 55.300 -0.166 0.000 1.122 243 M CB -2.004 30.549 32.600 -0.078 0.000 1.365 243 M HN 0.307 nan 8.290 nan 0.000 0.411 244 A N 0.233 122.944 122.820 -0.181 0.000 1.908 244 A HA -0.051 4.269 4.320 -0.000 0.000 0.218 244 A C 2.441 179.929 177.584 -0.159 0.000 1.181 244 A CA 2.234 54.187 52.037 -0.141 0.000 0.627 244 A CB -0.963 17.970 19.000 -0.112 0.000 0.818 244 A HN 0.477 nan 8.150 nan 0.000 0.445 245 A N -0.665 122.010 122.820 -0.242 0.000 1.908 245 A HA -0.025 4.295 4.320 -0.000 0.000 0.218 245 A C 2.255 179.703 177.584 -0.227 0.000 1.181 245 A CA 1.930 53.817 52.037 -0.250 0.000 0.627 245 A CB -0.885 17.901 19.000 -0.357 0.000 0.818 245 A HN 0.397 nan 8.150 nan 0.000 0.445 246 V N 0.797 120.514 119.914 -0.328 0.000 2.283 246 V HA -0.215 3.904 4.120 -0.000 0.000 0.243 246 V C 2.215 178.264 176.094 -0.074 0.000 1.039 246 V CA 2.087 64.255 62.300 -0.219 0.000 1.016 246 V CB -0.964 30.675 31.823 -0.306 0.000 0.650 246 V HN 0.553 nan 8.190 nan 0.000 0.449 247 N N 1.023 119.674 118.700 -0.083 0.000 2.223 247 N HA -0.113 4.627 4.740 -0.000 0.000 0.185 247 N C 1.407 176.914 175.510 -0.005 0.000 1.016 247 N CA 1.109 54.141 53.050 -0.030 0.000 0.863 247 N CB -0.542 37.926 38.487 -0.032 0.000 0.983 247 N HN 0.442 nan 8.380 nan 0.000 0.429 248 N N -0.485 118.211 118.700 -0.007 0.000 2.461 248 N HA -0.051 4.688 4.740 -0.000 0.000 0.188 248 N C 0.682 176.244 175.510 0.087 0.000 1.134 248 N CA 0.201 53.263 53.050 0.020 0.000 0.878 248 N CB 0.158 38.644 38.487 -0.001 0.000 0.972 248 N HN 0.367 nan 8.380 nan 0.000 0.456 249 Y N 0.625 120.884 120.300 -0.068 0.000 2.972 249 Y HA 0.366 4.916 4.550 -0.000 0.000 0.211 249 Y C -0.426 175.451 175.900 -0.038 0.000 0.969 249 Y CA 0.436 58.501 58.100 -0.058 0.000 1.574 249 Y CB 0.609 39.020 38.460 -0.082 0.000 1.364 249 Y HN -0.322 nan 8.280 nan 0.000 0.467 250 K N 2.269 122.551 120.400 -0.198 0.000 2.756 250 K HA 0.312 4.632 4.320 -0.000 0.000 0.218 250 K C -2.913 173.653 176.600 -0.056 0.000 1.057 250 K CA -2.113 54.032 56.287 -0.236 0.000 1.056 250 K CB 1.674 33.962 32.500 -0.354 0.000 1.235 250 K HN 0.050 nan 8.250 nan 0.000 0.547 251 P HA 0.010 nan 4.420 nan 0.000 0.271 251 P C -0.442 176.897 177.300 0.064 0.000 1.220 251 P CA -0.296 62.816 63.100 0.020 0.000 0.768 251 P CB 0.962 32.686 31.700 0.039 0.000 0.848 252 V N 1.292 121.255 119.914 0.081 0.000 2.925 252 V HA 0.501 4.621 4.120 -0.000 0.000 0.311 252 V C -0.387 175.812 176.094 0.175 0.000 1.104 252 V CA -1.467 60.927 62.300 0.156 0.000 0.954 252 V CB 1.694 33.599 31.823 0.136 0.000 1.022 252 V HN 0.310 nan 8.190 nan 0.000 0.427 253 F N 3.017 123.039 119.950 0.120 0.000 2.612 253 F HA 0.468 4.995 4.527 -0.000 0.000 0.389 253 F C 0.479 176.266 175.800 -0.020 0.000 1.055 253 F CA 1.134 59.169 58.000 0.057 0.000 1.232 253 F CB 0.142 39.126 39.000 -0.026 0.000 1.044 253 F HN 0.794 nan 8.300 nan 0.000 0.560 254 T N 8.302 122.507 114.554 -0.581 0.000 2.848 254 T HA 0.570 4.920 4.350 -0.000 0.000 0.285 254 T C -1.150 173.242 174.700 -0.513 0.000 0.995 254 T CA -0.318 61.492 62.100 -0.483 0.000 0.970 254 T CB 0.833 69.572 68.868 -0.215 0.000 0.976 254 T HN 0.395 nan 8.240 nan 0.000 0.441 255 F N -0.154 119.476 119.950 -0.533 0.000 2.565 255 F HA 0.897 5.423 4.527 -0.000 0.000 0.313 255 F C 0.124 175.846 175.800 -0.130 0.000 1.091 255 F CA -1.478 56.316 58.000 -0.343 0.000 0.915 255 F CB 1.012 39.791 39.000 -0.367 0.000 1.208 255 F HN 0.681 nan 8.300 nan 0.000 0.453 256 G N 1.109 109.996 108.800 0.145 0.000 2.471 256 G HA2 0.445 4.405 3.960 -0.000 0.000 0.332 256 G HA3 0.445 4.405 3.960 -0.000 0.000 0.332 256 G C -1.800 173.254 174.900 0.256 0.000 1.176 256 G CA -0.847 44.352 45.100 0.165 0.000 0.949 256 G HN 0.823 nan 8.290 nan 0.000 0.488 257 Q N 0.735 120.679 119.800 0.241 0.000 2.430 257 Q HA 0.140 4.480 4.340 -0.000 0.000 0.245 257 Q C -1.444 174.744 176.000 0.312 0.000 1.021 257 Q CA -0.748 55.273 55.803 0.363 0.000 0.867 257 Q CB 0.900 29.852 28.738 0.357 0.000 1.210 257 Q HN 0.598 nan 8.270 nan 0.000 0.487 258 W N 7.879 129.263 121.300 0.140 0.000 2.483 258 W HA 0.228 4.888 4.660 -0.000 0.000 0.291 258 W C -1.639 174.790 176.519 -0.149 0.000 0.997 258 W CA -1.641 55.683 57.345 -0.035 0.000 1.591 258 W CB 0.037 29.432 29.460 -0.108 0.000 1.434 258 W HN 0.545 nan 8.180 nan 0.000 0.420 259 F N 5.376 125.155 119.950 -0.286 0.000 2.629 259 F HA 0.202 4.729 4.527 -0.000 0.000 0.377 259 F C -0.613 175.012 175.800 -0.290 0.000 1.101 259 F CA 0.954 58.422 58.000 -0.888 0.000 1.301 259 F CB 0.618 39.258 39.000 -0.601 0.000 1.062 259 F HN 0.166 nan 8.300 nan 0.000 0.583 260 L N 5.946 126.456 121.223 -1.187 0.000 2.410 260 L HA 0.492 4.832 4.340 -0.000 0.000 0.270 260 L C 0.411 176.753 176.870 -0.880 0.000 0.983 260 L CA -0.852 53.685 54.840 -0.506 0.000 0.822 260 L CB 1.708 43.728 42.059 -0.065 0.000 1.285 260 L HN 0.820 nan 8.230 nan 0.000 0.409 261 G N 1.552 110.183 108.800 -0.282 0.000 2.547 261 G HA2 0.435 4.395 3.960 -0.000 0.000 0.291 261 G HA3 0.435 4.395 3.960 -0.000 0.000 0.291 261 G C -0.182 174.720 174.900 0.003 0.000 1.211 261 G CA -0.539 44.545 45.100 -0.026 0.000 0.950 261 G HN 0.294 nan 8.290 nan 0.000 0.504 262 V N 2.165 122.118 119.914 0.065 0.000 2.509 262 V HA -0.012 4.107 4.120 -0.000 0.000 0.297 262 V C 0.840 176.960 176.094 0.044 0.000 1.014 262 V CA 0.616 62.948 62.300 0.052 0.000 1.127 262 V CB 0.291 32.149 31.823 0.058 0.000 0.925 262 V HN 0.956 nan 8.190 nan 0.000 0.480 263 N N 1.583 120.305 118.700 0.037 0.000 2.965 263 N HA -0.183 4.557 4.740 -0.000 0.000 0.232 263 N C 0.437 175.972 175.510 0.041 0.000 0.913 263 N CA 1.424 54.496 53.050 0.036 0.000 0.981 263 N CB -0.583 37.922 38.487 0.032 0.000 1.077 263 N HN 0.974 nan 8.380 nan 0.000 0.589 264 E N 1.336 121.562 120.200 0.043 0.000 2.194 264 E HA 0.364 4.714 4.350 -0.000 0.000 0.284 264 E C -0.804 175.821 176.600 0.042 0.000 1.035 264 E CA -0.263 56.164 56.400 0.046 0.000 0.836 264 E CB 0.821 30.554 29.700 0.055 0.000 1.070 264 E HN 0.008 nan 8.360 nan 0.000 0.401 265 V N 4.551 124.483 119.914 0.031 0.000 2.376 265 V HA 0.219 4.339 4.120 -0.000 0.000 0.287 265 V C -0.345 175.699 176.094 -0.083 0.000 1.015 265 V CA -0.579 61.730 62.300 0.015 0.000 0.834 265 V CB 1.404 33.266 31.823 0.065 0.000 1.001 265 V HN 0.633 nan 8.190 nan 0.000 0.428 266 S N 6.546 122.088 115.700 -0.265 0.000 2.498 266 S HA 0.552 5.022 4.470 -0.000 0.000 0.317 266 S C -1.912 172.267 174.600 -0.700 0.000 1.090 266 S CA -1.525 56.486 58.200 -0.314 0.000 1.089 266 S CB 2.140 65.262 63.200 -0.130 0.000 0.997 266 S HN 0.441 nan 8.310 nan 0.000 0.470 267 P HA -0.004 nan 4.420 nan 0.000 0.221 267 P C 1.064 178.258 177.300 -0.176 0.000 1.150 267 P CA 0.822 63.777 63.100 -0.241 0.000 0.800 267 P CB 0.215 31.899 31.700 -0.026 0.000 0.787 268 E N -0.520 119.621 120.200 -0.099 0.000 2.051 268 E HA -0.215 4.135 4.350 -0.000 0.000 0.192 268 E C 2.033 178.451 176.600 -0.304 0.000 0.991 268 E CA 0.890 57.310 56.400 0.034 0.000 0.799 268 E CB -0.516 29.385 29.700 0.334 0.000 0.748 268 E HN 0.211 nan 8.360 nan 0.000 0.449 269 N N 0.768 119.013 118.700 -0.759 0.000 2.104 269 N HA -0.209 4.531 4.740 -0.000 0.000 0.190 269 N C 1.564 176.790 175.510 -0.473 0.000 1.024 269 N CA 1.591 53.843 53.050 -1.330 0.000 0.853 269 N CB -0.211 37.497 38.487 -1.298 0.000 1.008 269 N HN 0.393 nan 8.380 nan 0.000 0.424 270 H N 0.162 119.043 119.070 -0.315 0.000 2.319 270 H HA -0.069 4.487 4.556 -0.000 0.000 0.299 270 H C 2.236 177.502 175.328 -0.102 0.000 1.092 270 H CA 1.439 57.329 56.048 -0.264 0.000 1.302 270 H CB 0.061 29.607 29.762 -0.359 0.000 1.373 270 H HN 0.236 nan 8.280 nan 0.000 0.497 271 K N 0.517 120.938 120.400 0.035 0.000 2.063 271 K HA -0.190 4.130 4.320 -0.000 0.000 0.208 271 K C 1.981 178.612 176.600 0.050 0.000 1.048 271 K CA 1.313 57.633 56.287 0.055 0.000 0.928 271 K CB -0.158 32.396 32.500 0.090 0.000 0.713 271 K HN 0.146 nan 8.250 nan 0.000 0.442 272 F N 0.989 120.849 119.950 -0.150 0.000 2.102 272 F HA -0.198 4.329 4.527 -0.000 0.000 0.298 272 F C 2.018 177.785 175.800 -0.054 0.000 1.105 272 F CA 1.726 59.629 58.000 -0.163 0.000 1.239 272 F CB -0.408 38.402 39.000 -0.318 0.000 0.991 272 F HN 0.071 nan 8.300 nan 0.000 0.474 273 A N 0.046 122.964 122.820 0.163 0.000 1.969 273 A HA -0.175 4.145 4.320 -0.000 0.000 0.218 273 A C 1.866 179.485 177.584 0.058 0.000 1.169 273 A CA 1.815 53.942 52.037 0.150 0.000 0.635 273 A CB -0.739 18.457 19.000 0.327 0.000 0.810 273 A HN 0.506 nan 8.150 nan 0.000 0.445 274 N N -0.239 118.494 118.700 0.056 0.000 2.416 274 N HA -0.014 4.726 4.740 -0.000 0.000 0.177 274 N C 0.902 176.393 175.510 -0.031 0.000 1.036 274 N CA 1.246 54.312 53.050 0.028 0.000 0.901 274 N CB 0.049 38.558 38.487 0.036 0.000 0.976 274 N HN 0.735 nan 8.380 nan 0.000 0.444 275 E N -1.194 118.956 120.200 -0.084 0.000 2.676 275 E HA 0.106 4.456 4.350 -0.000 0.000 0.225 275 E C 1.087 177.580 176.600 -0.178 0.000 0.944 275 E CA 0.035 56.376 56.400 -0.098 0.000 1.156 275 E CB 0.385 30.064 29.700 -0.036 0.000 1.117 275 E HN 0.180 nan 8.360 nan 0.000 0.523 276 S N 0.283 115.773 115.700 -0.351 0.000 2.414 276 S HA 0.092 4.561 4.470 -0.000 0.000 0.227 276 S C 1.801 176.225 174.600 -0.293 0.000 1.022 276 S CA 0.922 58.830 58.200 -0.487 0.000 0.958 276 S CB 0.114 62.554 63.200 -1.266 0.000 0.797 276 S HN 0.363 nan 8.310 nan 0.000 0.493 277 G N 1.142 109.807 108.800 -0.226 0.000 2.184 277 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.206 277 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.206 277 G C -0.155 174.672 174.900 -0.121 0.000 0.995 277 G CA 0.087 45.099 45.100 -0.148 0.000 0.651 277 G HN 1.015 nan 8.290 nan 0.000 0.511 278 M N -0.263 119.246 119.600 -0.152 0.000 2.575 278 M HA 0.822 5.302 4.480 -0.000 0.000 0.284 278 M C 0.239 176.511 176.300 -0.047 0.000 1.253 278 M CA -0.205 55.037 55.300 -0.097 0.000 0.861 278 M CB 1.850 34.425 32.600 -0.042 0.000 1.733 278 M HN 0.578 nan 8.290 nan 0.000 0.462 279 S N 1.491 117.172 115.700 -0.031 0.000 2.590 279 S HA 0.889 5.359 4.470 -0.000 0.000 0.282 279 S C -0.381 174.304 174.600 0.142 0.000 1.136 279 S CA -0.813 57.412 58.200 0.042 0.000 1.030 279 S CB 0.975 64.194 63.200 0.031 0.000 1.195 279 S HN 0.772 nan 8.310 nan 0.000 0.506 280 L N -0.502 120.797 121.223 0.127 0.000 2.409 280 L HA 0.492 4.832 4.340 -0.000 0.000 0.255 280 L C -1.197 175.786 176.870 0.188 0.000 1.027 280 L CA -0.995 53.974 54.840 0.216 0.000 0.834 280 L CB 1.815 44.011 42.059 0.229 0.000 1.426 280 L HN 0.555 nan 8.230 nan 0.000 0.411 281 L N 1.286 122.701 121.223 0.321 0.000 2.367 281 L HA 0.122 4.462 4.340 -0.000 0.000 0.275 281 L C 0.093 177.165 176.870 0.336 0.000 1.129 281 L CA -0.032 54.999 54.840 0.318 0.000 0.839 281 L CB 0.344 42.619 42.059 0.361 0.000 1.133 281 L HN 0.454 nan 8.230 nan 0.000 0.453 282 D N 3.013 123.522 120.400 0.181 0.000 2.545 282 D HA 0.006 4.646 4.640 -0.000 0.000 0.227 282 D C 0.851 177.160 176.300 0.015 0.000 1.150 282 D CA 0.263 54.297 54.000 0.056 0.000 1.046 282 D CB 0.213 40.937 40.800 -0.126 0.000 1.098 282 D HN 0.300 nan 8.370 nan 0.000 0.502 283 F N 1.107 121.160 119.950 0.172 0.000 2.259 283 F HA -0.027 4.500 4.527 -0.000 0.000 0.298 283 F C 2.523 178.322 175.800 -0.001 0.000 1.088 283 F CA 0.604 58.650 58.000 0.076 0.000 1.358 283 F CB 0.043 39.083 39.000 0.067 0.000 1.040 283 F HN 0.249 nan 8.300 nan 0.000 0.505 284 R N -0.405 120.244 120.500 0.248 0.000 2.091 284 R HA -0.233 4.107 4.340 -0.000 0.000 0.238 284 R C 2.288 178.682 176.300 0.158 0.000 1.136 284 R CA 1.869 58.088 56.100 0.199 0.000 0.959 284 R CB -0.647 29.820 30.300 0.279 0.000 0.856 284 R HN 0.303 nan 8.270 nan 0.000 0.437 285 F N 0.721 120.666 119.950 -0.009 0.000 2.113 285 F HA -0.036 4.491 4.527 -0.000 0.000 0.297 285 F C 2.087 177.820 175.800 -0.112 0.000 1.103 285 F CA 1.463 59.441 58.000 -0.037 0.000 1.248 285 F CB -0.570 38.380 39.000 -0.084 0.000 0.999 285 F HN 0.093 nan 8.300 nan 0.000 0.475 286 A N 0.160 122.963 122.820 -0.028 0.000 1.902 286 A HA -0.203 4.117 4.320 -0.000 0.000 0.217 286 A C 2.142 179.668 177.584 -0.098 0.000 1.181 286 A CA 1.708 53.569 52.037 -0.295 0.000 0.623 286 A CB -0.772 17.484 19.000 -1.241 0.000 0.818 286 A HN 0.540 nan 8.150 nan 0.000 0.443 287 Q N -0.624 119.155 119.800 -0.035 0.000 2.119 287 Q HA -0.159 4.181 4.340 -0.000 0.000 0.201 287 Q C 2.046 178.055 176.000 0.015 0.000 0.972 287 Q CA 1.731 57.553 55.803 0.031 0.000 0.847 287 Q CB -0.291 28.478 28.738 0.051 0.000 0.903 287 Q HN 0.648 nan 8.270 nan 0.000 0.433 288 K N 0.777 121.165 120.400 -0.021 0.000 2.103 288 K HA -0.051 4.269 4.320 -0.000 0.000 0.204 288 K C 1.947 178.516 176.600 -0.052 0.000 1.052 288 K CA 0.671 56.928 56.287 -0.049 0.000 0.945 288 K CB -0.282 32.172 32.500 -0.077 0.000 0.722 288 K HN -0.048 nan 8.250 nan 0.000 0.443 289 V N 1.109 120.991 119.914 -0.053 0.000 2.343 289 V HA -0.237 3.883 4.120 -0.000 0.000 0.247 289 V C 2.314 178.586 176.094 0.297 0.000 1.051 289 V CA 2.107 64.476 62.300 0.115 0.000 1.036 289 V CB -0.409 31.452 31.823 0.063 0.000 0.654 289 V HN 0.329 nan 8.190 nan 0.000 0.451 290 R N -0.634 119.999 120.500 0.221 0.000 2.092 290 R HA -0.162 4.178 4.340 -0.000 0.000 0.231 290 R C 2.404 178.740 176.300 0.059 0.000 1.119 290 R CA 1.410 57.617 56.100 0.178 0.000 0.970 290 R CB -0.279 30.083 30.300 0.103 0.000 0.864 290 R HN 0.615 nan 8.270 nan 0.000 0.440 291 Q N -0.084 119.733 119.800 0.029 0.000 2.046 291 Q HA -0.119 4.221 4.340 -0.000 0.000 0.200 291 Q C 2.198 178.165 176.000 -0.055 0.000 0.975 291 Q CA 1.556 57.348 55.803 -0.018 0.000 0.836 291 Q CB 0.072 28.795 28.738 -0.025 0.000 0.896 291 Q HN 0.186 nan 8.270 nan 0.000 0.428 292 V N -0.348 119.506 119.914 -0.100 0.000 2.323 292 V HA -0.174 3.946 4.120 -0.000 0.000 0.244 292 V C 1.561 177.448 176.094 -0.345 0.000 1.041 292 V CA 1.678 63.800 62.300 -0.296 0.000 1.025 292 V CB -0.355 31.155 31.823 -0.521 0.000 0.656 292 V HN 0.254 nan 8.190 nan 0.000 0.451 293 F N -1.083 118.884 119.950 0.028 0.000 2.678 293 F HA 0.265 4.792 4.527 -0.000 0.000 0.291 293 F C 2.349 178.245 175.800 0.160 0.000 1.123 293 F CA 0.481 58.558 58.000 0.129 0.000 1.395 293 F CB 0.070 39.203 39.000 0.222 0.000 1.121 293 F HN -0.114 nan 8.300 nan 0.000 0.592 294 R N 0.139 120.737 120.500 0.163 0.000 2.144 294 R HA 0.040 4.380 4.340 -0.000 0.000 0.195 294 R C 0.873 177.103 176.300 -0.116 0.000 1.077 294 R CA 0.880 56.883 56.100 -0.161 0.000 1.120 294 R CB 0.096 29.924 30.300 -0.786 0.000 1.060 294 R HN 0.036 nan 8.270 nan 0.000 0.520 295 D N 0.266 120.613 120.400 -0.088 0.000 2.354 295 D HA -0.036 4.604 4.640 -0.000 0.000 0.209 295 D C -0.084 176.192 176.300 -0.041 0.000 1.015 295 D CA 0.237 54.199 54.000 -0.064 0.000 0.867 295 D CB -0.101 40.666 40.800 -0.055 0.000 0.933 295 D HN 0.330 nan 8.370 nan 0.000 0.520 296 N N 0.894 119.569 118.700 -0.041 0.000 2.756 296 N HA -0.185 4.555 4.740 -0.000 0.000 0.248 296 N C 0.070 175.557 175.510 -0.038 0.000 1.062 296 N CA 0.846 53.869 53.050 -0.044 0.000 0.696 296 N CB -0.809 37.660 38.487 -0.029 0.000 0.946 296 N HN 0.295 nan 8.380 nan 0.000 0.548 297 T N -3.691 110.840 114.554 -0.039 0.000 3.044 297 T HA 0.272 4.622 4.350 -0.000 0.000 0.260 297 T C -0.004 174.678 174.700 -0.029 0.000 1.019 297 T CA -0.089 61.995 62.100 -0.027 0.000 0.921 297 T CB 0.874 69.732 68.868 -0.017 0.000 1.053 297 T HN 0.273 nan 8.240 nan 0.000 0.533 298 D N 0.938 121.309 120.400 -0.049 0.000 2.663 298 D HA 0.357 4.997 4.640 -0.000 0.000 0.233 298 D C -1.344 174.903 176.300 -0.088 0.000 1.240 298 D CA -0.524 53.447 54.000 -0.049 0.000 0.774 298 D CB 1.832 42.605 40.800 -0.045 0.000 1.443 298 D HN 0.262 nan 8.370 nan 0.000 0.441 299 N N 0.598 119.261 118.700 -0.061 0.000 2.776 299 N HA 0.261 5.001 4.740 -0.000 0.000 0.319 299 N C 1.004 176.416 175.510 -0.163 0.000 1.316 299 N CA -0.465 52.525 53.050 -0.100 0.000 0.890 299 N CB 0.180 38.662 38.487 -0.009 0.000 1.165 299 N HN 0.196 nan 8.380 nan 0.000 0.596 300 M N -0.978 118.477 119.600 -0.243 0.000 2.358 300 M HA -0.036 4.444 4.480 -0.000 0.000 0.264 300 M C 1.012 177.131 176.300 -0.302 0.000 1.064 300 M CA 1.319 56.425 55.300 -0.323 0.000 1.093 300 M CB -1.331 31.058 32.600 -0.353 0.000 1.401 300 M HN 0.506 nan 8.290 nan 0.000 0.440 301 Y N -0.190 120.066 120.300 -0.073 0.000 2.373 301 Y HA -0.008 4.542 4.550 -0.000 0.000 0.293 301 Y C 2.556 178.425 175.900 -0.052 0.000 1.129 301 Y CA 1.236 59.305 58.100 -0.052 0.000 1.226 301 Y CB -1.176 37.256 38.460 -0.047 0.000 1.000 301 Y HN 0.287 nan 8.280 nan 0.000 0.549 302 G N -0.401 108.431 108.800 0.054 0.000 2.394 302 G HA2 -0.206 3.753 3.960 -0.000 0.000 0.215 302 G HA3 -0.206 3.753 3.960 -0.000 0.000 0.215 302 G C 1.611 176.489 174.900 -0.036 0.000 1.165 302 G CA 0.693 45.797 45.100 0.007 0.000 0.784 302 G HN 0.295 nan 8.290 nan 0.000 0.535 303 L N 0.959 122.119 121.223 -0.106 0.000 2.017 303 L HA 0.030 4.370 4.340 -0.000 0.000 0.208 303 L C 2.736 179.571 176.870 -0.059 0.000 1.073 303 L CA 2.399 57.154 54.840 -0.142 0.000 0.745 303 L CB -0.450 41.440 42.059 -0.281 0.000 0.894 303 L HN 0.290 nan 8.230 nan 0.000 0.432 304 K N -0.761 119.613 120.400 -0.044 0.000 2.057 304 K HA -0.182 4.138 4.320 -0.000 0.000 0.207 304 K C 1.953 178.576 176.600 0.039 0.000 1.049 304 K CA 1.427 57.720 56.287 0.011 0.000 0.931 304 K CB -0.244 32.265 32.500 0.015 0.000 0.714 304 K HN 0.374 nan 8.250 nan 0.000 0.440 305 A N 1.890 124.736 122.820 0.043 0.000 1.902 305 A HA -0.184 4.136 4.320 -0.000 0.000 0.217 305 A C 2.181 179.792 177.584 0.045 0.000 1.181 305 A CA 1.626 53.691 52.037 0.047 0.000 0.623 305 A CB -0.596 18.433 19.000 0.048 0.000 0.818 305 A HN 0.514 nan 8.150 nan 0.000 0.443 306 M N -0.190 119.434 119.600 0.039 0.000 2.117 306 M HA -0.083 4.397 4.480 -0.000 0.000 0.262 306 M C 1.976 178.331 176.300 0.092 0.000 1.065 306 M CA 1.729 57.066 55.300 0.061 0.000 1.114 306 M CB -0.807 31.815 32.600 0.037 0.000 1.361 306 M HN 0.424 nan 8.290 nan 0.000 0.408 307 L N 0.177 121.451 121.223 0.086 0.000 2.017 307 L HA -0.228 4.112 4.340 -0.000 0.000 0.208 307 L C 2.399 179.319 176.870 0.084 0.000 1.073 307 L CA 1.532 56.435 54.840 0.105 0.000 0.745 307 L CB -0.696 41.414 42.059 0.085 0.000 0.894 307 L HN 0.361 nan 8.230 nan 0.000 0.432 308 E N -0.075 120.164 120.200 0.065 0.000 2.047 308 E HA -0.136 4.214 4.350 -0.000 0.000 0.191 308 E C 2.249 178.870 176.600 0.035 0.000 0.987 308 E CA 1.080 57.511 56.400 0.051 0.000 0.799 308 E CB -0.378 29.350 29.700 0.047 0.000 0.752 308 E HN 0.546 nan 8.360 nan 0.000 0.449 309 G N 1.902 110.720 108.800 0.031 0.000 2.433 309 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.216 309 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.216 309 G C 1.826 176.706 174.900 -0.033 0.000 1.186 309 G CA 1.450 46.549 45.100 -0.001 0.000 0.779 309 G HN 0.393 nan 8.290 nan 0.000 0.543 310 S N 1.328 117.053 115.700 0.041 0.000 2.383 310 S HA 0.080 4.550 4.470 -0.000 0.000 0.229 310 S C 2.585 177.259 174.600 0.124 0.000 1.030 310 S CA 1.640 59.909 58.200 0.116 0.000 1.002 310 S CB -0.517 62.854 63.200 0.285 0.000 0.829 310 S HN 0.652 nan 8.310 nan 0.000 0.467 311 A N 1.621 124.493 122.820 0.085 0.000 1.972 311 A HA 0.388 4.708 4.320 -0.000 0.000 0.219 311 A C 2.429 180.024 177.584 0.017 0.000 1.169 311 A CA 1.583 53.660 52.037 0.067 0.000 0.635 311 A CB -1.179 17.857 19.000 0.059 0.000 0.810 311 A HN 0.918 nan 8.150 nan 0.000 0.446 312 A N -0.724 122.081 122.820 -0.025 0.000 2.030 312 A HA 0.036 4.356 4.320 -0.000 0.000 0.215 312 A C 1.600 179.103 177.584 -0.136 0.000 1.164 312 A CA 1.311 53.313 52.037 -0.059 0.000 0.697 312 A CB -0.134 18.837 19.000 -0.047 0.000 0.827 312 A HN 0.399 nan 8.150 nan 0.000 0.457 313 D N -1.476 118.766 120.400 -0.263 0.000 2.240 313 D HA 0.055 4.695 4.640 -0.000 0.000 0.206 313 D C -0.451 175.517 176.300 -0.553 0.000 0.963 313 D CA 0.754 54.424 54.000 -0.550 0.000 0.863 313 D CB -0.083 40.048 40.800 -1.115 0.000 0.973 313 D HN 0.443 nan 8.370 nan 0.000 0.501 314 Y N 0.547 120.728 120.300 -0.198 0.000 2.341 314 Y HA 0.417 4.967 4.550 -0.000 0.000 0.340 314 Y C 1.274 177.133 175.900 -0.068 0.000 0.997 314 Y CA -0.825 57.214 58.100 -0.102 0.000 1.149 314 Y CB 1.519 39.947 38.460 -0.053 0.000 1.171 314 Y HN -0.160 nan 8.280 nan 0.000 0.494 315 A N 2.909 125.782 122.820 0.088 0.000 1.940 315 A HA -0.189 4.131 4.320 -0.000 0.000 0.219 315 A C 0.856 178.441 177.584 0.002 0.000 1.176 315 A CA 1.418 53.465 52.037 0.017 0.000 0.631 315 A CB -0.230 18.776 19.000 0.009 0.000 0.814 315 A HN 0.781 nan 8.150 nan 0.000 0.446 316 Q N -1.227 118.617 119.800 0.074 0.000 2.965 316 Q HA 0.404 4.743 4.340 -0.000 0.000 0.288 316 Q C 0.438 176.495 176.000 0.095 0.000 0.974 316 Q CA -0.131 55.719 55.803 0.078 0.000 0.849 316 Q CB 1.173 29.988 28.738 0.129 0.000 1.280 316 Q HN 0.144 nan 8.270 nan 0.000 0.441 317 V N 1.121 121.088 119.914 0.087 0.000 2.568 317 V HA -0.242 3.878 4.120 -0.000 0.000 0.253 317 V C 0.880 176.979 176.094 0.008 0.000 1.072 317 V CA 2.118 64.446 62.300 0.046 0.000 1.084 317 V CB 0.146 32.020 31.823 0.086 0.000 0.676 317 V HN 0.704 nan 8.190 nan 0.000 0.469 318 D N -0.508 119.940 120.400 0.081 0.000 2.378 318 D HA -0.085 4.555 4.640 -0.000 0.000 0.227 318 D C 1.062 177.442 176.300 0.135 0.000 1.012 318 D CA 0.705 54.766 54.000 0.102 0.000 0.905 318 D CB 0.052 40.973 40.800 0.202 0.000 0.895 318 D HN 0.503 nan 8.370 nan 0.000 0.532 319 D N 0.351 120.850 120.400 0.166 0.000 2.379 319 D HA -0.007 4.633 4.640 -0.000 0.000 0.208 319 D C 0.478 176.876 176.300 0.164 0.000 1.065 319 D CA 0.219 54.390 54.000 0.285 0.000 0.848 319 D CB 0.483 41.508 40.800 0.374 0.000 0.949 319 D HN 0.071 nan 8.370 nan 0.000 0.509 320 Q N 0.832 120.609 119.800 -0.038 0.000 2.296 320 Q HA 0.172 4.512 4.340 -0.000 0.000 0.262 320 Q C -0.035 175.866 176.000 -0.166 0.000 0.981 320 Q CA -0.179 55.532 55.803 -0.154 0.000 0.905 320 Q CB 1.654 30.177 28.738 -0.359 0.000 1.186 320 Q HN -0.103 nan 8.270 nan 0.000 0.399 321 V N 3.924 123.741 119.914 -0.161 0.000 2.372 321 V HA 0.129 4.249 4.120 -0.000 0.000 0.261 321 V C 0.789 176.830 176.094 -0.089 0.000 1.055 321 V CA -0.372 61.793 62.300 -0.225 0.000 0.930 321 V CB 0.138 31.649 31.823 -0.521 0.000 1.031 321 V HN 0.849 nan 8.190 nan 0.000 0.479 322 T N 2.997 117.410 114.554 -0.235 0.000 2.849 322 T HA 0.799 5.149 4.350 -0.000 0.000 0.284 322 T C -0.548 174.177 174.700 0.042 0.000 1.004 322 T CA -0.392 61.486 62.100 -0.370 0.000 1.021 322 T CB 1.428 69.653 68.868 -1.072 0.000 1.013 322 T HN 0.731 nan 8.240 nan 0.000 0.527 323 F N -1.189 118.718 119.950 -0.071 0.000 2.900 323 F HA 0.520 5.047 4.527 -0.000 0.000 0.321 323 F C -0.188 175.698 175.800 0.144 0.000 1.160 323 F CA -1.311 56.708 58.000 0.032 0.000 0.890 323 F CB 0.601 39.611 39.000 0.016 0.000 1.334 323 F HN 0.582 nan 8.300 nan 0.000 0.459 324 I N -1.612 119.114 120.570 0.260 0.000 4.327 324 I HA 0.506 4.676 4.170 -0.000 0.000 0.331 324 I C -0.850 175.514 176.117 0.411 0.000 1.348 324 I CA 0.137 61.566 61.300 0.214 0.000 1.152 324 I CB 0.775 38.769 38.000 -0.010 0.000 1.151 324 I HN 0.683 nan 8.210 nan 0.000 0.410 325 D N 0.625 121.321 120.400 0.494 0.000 2.764 325 D HA 0.360 5.000 4.640 -0.000 0.000 0.293 325 D C -1.216 175.158 176.300 0.125 0.000 1.287 325 D CA -0.557 53.670 54.000 0.380 0.000 0.768 325 D CB 0.672 41.673 40.800 0.334 0.000 1.288 325 D HN 0.303 nan 8.370 nan 0.000 0.426 326 N N -2.800 115.789 118.700 -0.185 0.000 3.387 326 N HA 0.166 4.906 4.740 -0.000 0.000 0.294 326 N C 0.465 175.512 175.510 -0.772 0.000 1.519 326 N CA -0.458 52.167 53.050 -0.709 0.000 0.875 326 N CB -0.162 38.091 38.487 -0.391 0.000 1.657 326 N HN 0.560 nan 8.380 nan 0.000 0.527 327 H N -1.729 116.887 119.070 -0.757 0.000 2.567 327 H HA 0.171 4.727 4.556 -0.000 0.000 0.276 327 H C -0.804 174.477 175.328 -0.078 0.000 1.016 327 H CA 0.771 56.637 56.048 -0.304 0.000 1.186 327 H CB -0.351 29.409 29.762 -0.004 0.000 1.351 327 H HN 0.538 nan 8.280 nan 0.000 0.605 328 D N 0.756 120.932 120.400 -0.374 0.000 2.501 328 D HA 0.175 4.815 4.640 -0.000 0.000 0.224 328 D C 0.796 177.081 176.300 -0.027 0.000 1.202 328 D CA 0.019 53.899 54.000 -0.200 0.000 0.829 328 D CB 0.669 41.335 40.800 -0.223 0.000 1.023 328 D HN 0.558 nan 8.370 nan 0.000 0.499 329 M N -1.864 117.737 119.600 0.002 0.000 2.622 329 M HA 0.454 4.934 4.480 -0.000 0.000 0.276 329 M C -1.036 175.304 176.300 0.066 0.000 1.265 329 M CA -0.938 54.410 55.300 0.079 0.000 0.850 329 M CB 2.220 34.933 32.600 0.188 0.000 1.720 329 M HN -0.380 nan 8.290 nan 0.000 0.465 330 E N 2.097 122.340 120.200 0.070 0.000 2.442 330 E HA 0.124 4.474 4.350 -0.000 0.000 0.262 330 E C -0.564 176.095 176.600 0.099 0.000 1.004 330 E CA -0.167 56.269 56.400 0.060 0.000 0.928 330 E CB 0.507 30.226 29.700 0.031 0.000 0.937 330 E HN 0.353 nan 8.360 nan 0.000 0.446 331 R N 1.994 122.563 120.500 0.114 0.000 2.585 331 R HA -0.078 4.262 4.340 -0.000 0.000 0.275 331 R C 0.971 177.392 176.300 0.203 0.000 1.018 331 R CA 0.182 56.392 56.100 0.182 0.000 1.072 331 R CB -0.013 30.382 30.300 0.158 0.000 0.953 331 R HN 0.606 nan 8.270 nan 0.000 0.419 332 F N 2.336 122.373 119.950 0.145 0.000 2.091 332 F HA -0.239 4.288 4.527 -0.000 0.000 0.299 332 F C 1.269 177.171 175.800 0.170 0.000 1.103 332 F CA 1.716 59.805 58.000 0.149 0.000 1.228 332 F CB -0.335 38.758 39.000 0.154 0.000 0.984 332 F HN 0.566 nan 8.300 nan 0.000 0.477 333 H N 0.823 120.125 119.070 0.386 0.000 2.944 333 H HA 0.473 5.029 4.556 -0.000 0.000 0.278 333 H C -0.286 175.133 175.328 0.152 0.000 1.083 333 H CA -0.552 55.677 56.048 0.301 0.000 1.479 333 H CB 0.073 30.035 29.762 0.335 0.000 1.486 333 H HN 0.258 nan 8.280 nan 0.000 0.493 334 A N 3.859 126.467 122.820 -0.352 0.000 2.409 334 A HA 0.244 4.564 4.320 -0.000 0.000 0.262 334 A C 1.652 178.944 177.584 -0.487 0.000 1.113 334 A CA 0.087 51.937 52.037 -0.311 0.000 0.790 334 A CB -0.060 18.827 19.000 -0.188 0.000 1.046 334 A HN 1.026 nan 8.150 nan 0.000 0.496 335 S N 2.513 118.066 115.700 -0.245 0.000 2.408 335 S HA -0.330 4.140 4.470 -0.000 0.000 0.241 335 S C 1.069 175.603 174.600 -0.110 0.000 1.080 335 S CA 2.139 60.255 58.200 -0.139 0.000 1.109 335 S CB -0.673 62.495 63.200 -0.053 0.000 0.966 335 S HN 0.997 nan 8.310 nan 0.000 0.449 336 N N 2.145 120.783 118.700 -0.103 0.000 2.203 336 N HA 0.476 5.215 4.740 -0.000 0.000 0.207 336 N C 0.137 175.632 175.510 -0.026 0.000 1.130 336 N CA 0.311 53.336 53.050 -0.041 0.000 0.861 336 N CB -0.283 38.190 38.487 -0.024 0.000 1.005 336 N HN 0.663 nan 8.380 nan 0.000 0.507 337 A N 0.730 123.500 122.820 -0.082 0.000 2.366 337 A HA 0.224 4.544 4.320 -0.000 0.000 0.249 337 A C 0.374 178.056 177.584 0.163 0.000 1.084 337 A CA -0.490 51.554 52.037 0.011 0.000 0.794 337 A CB 0.074 19.058 19.000 -0.026 0.000 1.034 337 A HN 0.326 nan 8.150 nan 0.000 0.491 338 N N 0.280 119.075 118.700 0.159 0.000 2.475 338 N HA 0.023 4.763 4.740 -0.000 0.000 0.267 338 N C 1.077 176.732 175.510 0.241 0.000 1.169 338 N CA 0.060 53.207 53.050 0.162 0.000 0.947 338 N CB 0.470 39.028 38.487 0.118 0.000 1.061 338 N HN 0.601 nan 8.380 nan 0.000 0.466 339 R N 2.281 122.878 120.500 0.162 0.000 2.200 339 R HA -0.168 4.172 4.340 -0.000 0.000 0.234 339 R C 1.456 177.866 176.300 0.184 0.000 1.127 339 R CA 0.946 57.097 56.100 0.086 0.000 0.989 339 R CB -0.018 30.120 30.300 -0.270 0.000 0.869 339 R HN 0.479 nan 8.270 nan 0.000 0.459 340 R N 1.946 122.535 120.500 0.149 0.000 2.152 340 R HA -0.100 4.240 4.340 -0.000 0.000 0.232 340 R C 1.488 177.899 176.300 0.185 0.000 1.117 340 R CA 1.546 57.732 56.100 0.144 0.000 0.981 340 R CB -0.079 30.290 30.300 0.115 0.000 0.870 340 R HN 0.147 nan 8.270 nan 0.000 0.451 341 K N -0.037 120.519 120.400 0.261 0.000 2.057 341 K HA -0.155 4.165 4.320 -0.000 0.000 0.207 341 K C 2.062 178.864 176.600 0.336 0.000 1.049 341 K CA 1.675 58.180 56.287 0.363 0.000 0.931 341 K CB -0.352 32.405 32.500 0.429 0.000 0.714 341 K HN 0.245 nan 8.250 nan 0.000 0.440 342 L N 1.541 122.954 121.223 0.317 0.000 2.072 342 L HA -0.154 4.186 4.340 -0.000 0.000 0.205 342 L C 1.968 178.763 176.870 -0.125 0.000 1.079 342 L CA 1.486 56.333 54.840 0.012 0.000 0.752 342 L CB -0.051 42.113 42.059 0.175 0.000 0.906 342 L HN 0.110 nan 8.230 nan 0.000 0.436 343 E N -0.459 119.753 120.200 0.021 0.000 2.085 343 E HA -0.273 4.077 4.350 -0.000 0.000 0.194 343 E C 2.216 178.769 176.600 -0.078 0.000 0.994 343 E CA 1.624 58.017 56.400 -0.011 0.000 0.801 343 E CB -0.099 29.644 29.700 0.071 0.000 0.743 343 E HN 0.629 nan 8.360 nan 0.000 0.453 344 Q N 0.011 119.765 119.800 -0.076 0.000 2.083 344 Q HA -0.085 4.255 4.340 -0.000 0.000 0.198 344 Q C 2.333 178.057 176.000 -0.461 0.000 0.969 344 Q CA 1.135 56.842 55.803 -0.159 0.000 0.838 344 Q CB -0.133 28.598 28.738 -0.011 0.000 0.900 344 Q HN 0.257 nan 8.270 nan 0.000 0.436 345 A N 0.870 123.325 122.820 -0.609 0.000 1.902 345 A HA -0.179 4.140 4.320 -0.000 0.000 0.217 345 A C 2.021 179.396 177.584 -0.348 0.000 1.181 345 A CA 1.055 52.656 52.037 -0.727 0.000 0.623 345 A CB -0.506 18.030 19.000 -0.773 0.000 0.818 345 A HN 0.237 nan 8.150 nan 0.000 0.443 346 L N -0.331 120.712 121.223 -0.299 0.000 1.994 346 L HA -0.094 4.246 4.340 -0.000 0.000 0.208 346 L C 2.945 179.752 176.870 -0.106 0.000 1.071 346 L CA 2.040 56.774 54.840 -0.178 0.000 0.745 346 L CB -1.208 40.749 42.059 -0.171 0.000 0.892 346 L HN 0.395 nan 8.230 nan 0.000 0.431 347 A N -1.348 121.415 122.820 -0.096 0.000 1.940 347 A HA -0.297 4.023 4.320 -0.000 0.000 0.219 347 A C 2.279 179.881 177.584 0.030 0.000 1.176 347 A CA 1.929 53.939 52.037 -0.046 0.000 0.631 347 A CB -1.033 17.942 19.000 -0.042 0.000 0.814 347 A HN 0.460 nan 8.150 nan 0.000 0.446 348 F N 1.260 121.141 119.950 -0.115 0.000 2.113 348 F HA -0.110 4.417 4.527 -0.000 0.000 0.297 348 F C 2.429 178.277 175.800 0.081 0.000 1.103 348 F CA 2.245 60.248 58.000 0.005 0.000 1.248 348 F CB -0.838 38.066 39.000 -0.161 0.000 0.999 348 F HN 0.190 nan 8.300 nan 0.000 0.475 349 T N 1.704 116.224 114.554 -0.055 0.000 2.708 349 T HA -0.186 4.164 4.350 -0.000 0.000 0.266 349 T C 2.140 176.735 174.700 -0.176 0.000 1.037 349 T CA 1.929 63.981 62.100 -0.080 0.000 1.146 349 T CB -0.660 68.233 68.868 0.041 0.000 0.865 349 T HN 0.251 nan 8.240 nan 0.000 0.435 350 L N 1.298 122.449 121.223 -0.120 0.000 2.265 350 L HA -0.071 4.269 4.340 -0.000 0.000 0.215 350 L C 2.556 179.351 176.870 -0.125 0.000 1.117 350 L CA 1.357 56.124 54.840 -0.121 0.000 0.782 350 L CB -0.747 41.253 42.059 -0.099 0.000 0.914 350 L HN 0.447 nan 8.230 nan 0.000 0.441 351 T N -5.923 108.569 114.554 -0.103 0.000 3.054 351 T HA 0.205 4.555 4.350 -0.000 0.000 0.255 351 T C 0.719 175.396 174.700 -0.038 0.000 1.035 351 T CA -0.310 61.761 62.100 -0.048 0.000 0.941 351 T CB 0.301 69.182 68.868 0.022 0.000 1.026 351 T HN -0.004 nan 8.240 nan 0.000 0.533 352 S N 2.291 117.869 115.700 -0.204 0.000 2.713 352 S HA 0.606 5.076 4.470 -0.000 0.000 0.283 352 S C 0.333 174.798 174.600 -0.224 0.000 1.161 352 S CA -1.059 56.975 58.200 -0.276 0.000 0.999 352 S CB 1.005 63.883 63.200 -0.536 0.000 1.039 352 S HN 0.611 nan 8.310 nan 0.000 0.548 353 R N 0.790 121.188 120.500 -0.170 0.000 2.734 353 R HA 0.512 4.852 4.340 -0.000 0.000 0.266 353 R C 0.613 176.782 176.300 -0.218 0.000 1.044 353 R CA 0.729 56.747 56.100 -0.137 0.000 1.128 353 R CB -1.289 28.979 30.300 -0.054 0.000 1.010 353 R HN 0.944 nan 8.270 nan 0.000 0.461 354 G N 0.135 108.835 108.800 -0.166 0.000 2.418 354 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.206 354 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.206 354 G C -1.481 173.298 174.900 -0.201 0.000 1.202 354 G CA -0.308 44.681 45.100 -0.185 0.000 1.061 354 G HN 0.749 nan 8.290 nan 0.000 0.563 355 V N 2.482 122.261 119.914 -0.224 0.000 2.398 355 V HA 0.525 4.645 4.120 -0.000 0.000 0.282 355 V C -2.215 173.755 176.094 -0.207 0.000 1.014 355 V CA -1.036 61.135 62.300 -0.215 0.000 0.838 355 V CB 1.837 33.523 31.823 -0.229 0.000 1.018 355 V HN 0.631 nan 8.190 nan 0.000 0.432 356 P HA 0.392 nan 4.420 nan 0.000 0.271 356 P C -0.643 176.641 177.300 -0.026 0.000 1.216 356 P CA 0.110 63.132 63.100 -0.130 0.000 0.771 356 P CB 1.045 32.670 31.700 -0.125 0.000 0.864 357 A N 4.168 127.018 122.820 0.051 0.000 2.343 357 A HA 0.668 4.988 4.320 -0.000 0.000 0.308 357 A C -0.650 177.038 177.584 0.172 0.000 1.092 357 A CA -0.704 51.428 52.037 0.158 0.000 0.751 357 A CB 0.609 19.756 19.000 0.246 0.000 1.203 357 A HN 0.444 nan 8.150 nan 0.000 0.452 358 I N 2.836 123.494 120.570 0.147 0.000 2.355 358 I HA 0.181 4.351 4.170 -0.000 0.000 0.288 358 I C -0.735 175.392 176.117 0.016 0.000 0.999 358 I CA -0.734 60.629 61.300 0.106 0.000 1.163 358 I CB 1.179 39.252 38.000 0.123 0.000 1.316 358 I HN 0.707 nan 8.210 nan 0.000 0.454 359 Y N 8.634 128.871 120.300 -0.106 0.000 2.632 359 Y HA -0.020 4.530 4.550 -0.000 0.000 0.329 359 Y C 0.150 175.853 175.900 -0.328 0.000 1.174 359 Y CA -0.938 57.043 58.100 -0.198 0.000 1.469 359 Y CB -0.058 38.334 38.460 -0.114 0.000 1.242 359 Y HN 0.455 nan 8.280 nan 0.000 0.540 360 Y N 4.160 124.007 120.300 -0.755 0.000 2.895 360 Y HA 0.286 4.836 4.550 -0.000 0.000 0.334 360 Y C 1.102 176.802 175.900 -0.333 0.000 1.261 360 Y CA -0.114 57.567 58.100 -0.698 0.000 1.560 360 Y CB -0.019 38.144 38.460 -0.495 0.000 1.253 360 Y HN 0.920 nan 8.280 nan 0.000 0.582 361 G N 2.332 111.118 108.800 -0.023 0.000 2.195 361 G HA2 -0.366 3.594 3.960 -0.000 0.000 0.246 361 G HA3 -0.366 3.594 3.960 -0.000 0.000 0.246 361 G C 0.852 175.681 174.900 -0.118 0.000 0.984 361 G CA 0.421 45.467 45.100 -0.090 0.000 0.633 361 G HN 0.831 nan 8.290 nan 0.000 0.525 362 T N 1.594 116.067 114.554 -0.134 0.000 2.759 362 T HA -0.100 4.250 4.350 -0.000 0.000 0.269 362 T C 2.105 176.679 174.700 -0.209 0.000 1.042 362 T CA 1.873 63.908 62.100 -0.109 0.000 1.140 362 T CB -0.229 68.607 68.868 -0.054 0.000 0.864 362 T HN 0.789 nan 8.240 nan 0.000 0.455 363 E N 0.900 121.040 120.200 -0.099 0.000 2.516 363 E HA -0.102 4.248 4.350 -0.000 0.000 0.199 363 E C 1.143 177.678 176.600 -0.108 0.000 1.069 363 E CA 0.688 57.007 56.400 -0.135 0.000 0.876 363 E CB -0.044 29.697 29.700 0.068 0.000 0.843 363 E HN 0.409 nan 8.360 nan 0.000 0.530 364 Q N -0.153 119.620 119.800 -0.044 0.000 2.179 364 Q HA 0.080 4.420 4.340 -0.000 0.000 0.213 364 Q C -0.601 175.502 176.000 0.172 0.000 0.833 364 Q CA -0.483 55.383 55.803 0.104 0.000 0.990 364 Q CB -0.102 28.705 28.738 0.116 0.000 1.132 364 Q HN 0.327 nan 8.270 nan 0.000 0.493 365 Y N -0.717 119.591 120.300 0.014 0.000 3.389 365 Y HA -0.274 4.276 4.550 -0.000 0.000 0.213 365 Y C 0.279 176.247 175.900 0.112 0.000 1.272 365 Y CA 0.194 58.283 58.100 -0.018 0.000 1.444 365 Y CB -2.422 35.922 38.460 -0.192 0.000 1.445 365 Y HN 0.211 nan 8.280 nan 0.000 0.583 366 M N 0.449 120.132 119.600 0.139 0.000 2.228 366 M HA 0.242 4.722 4.480 -0.000 0.000 0.351 366 M C 0.519 176.911 176.300 0.154 0.000 1.233 366 M CA 0.751 56.111 55.300 0.099 0.000 1.129 366 M CB 0.611 33.184 32.600 -0.045 0.000 1.604 366 M HN 0.263 nan 8.290 nan 0.000 0.457 367 S N 1.162 116.942 115.700 0.132 0.000 2.607 367 S HA 0.964 5.434 4.470 -0.000 0.000 0.303 367 S C -0.108 174.525 174.600 0.055 0.000 1.086 367 S CA -0.834 57.427 58.200 0.102 0.000 0.995 367 S CB 2.185 65.425 63.200 0.067 0.000 1.084 367 S HN 0.967 nan 8.310 nan 0.000 0.507 368 G N -0.299 108.528 108.800 0.045 0.000 2.384 368 G HA2 0.507 4.467 3.960 -0.000 0.000 0.300 368 G HA3 0.507 4.467 3.960 -0.000 0.000 0.300 368 G C -0.352 174.568 174.900 0.032 0.000 1.582 368 G CA -0.304 44.815 45.100 0.032 0.000 0.875 368 G HN 0.884 nan 8.290 nan 0.000 0.628 369 G N -0.577 108.235 108.800 0.020 0.000 2.504 369 G HA2 0.684 4.644 3.960 -0.000 0.000 0.257 369 G HA3 0.684 4.644 3.960 -0.000 0.000 0.257 369 G C 0.976 175.888 174.900 0.020 0.000 1.451 369 G CA 0.692 45.801 45.100 0.015 0.000 1.059 369 G HN 1.567 nan 8.290 nan 0.000 0.550 370 T N -1.507 113.053 114.554 0.009 0.000 2.640 370 T HA 0.161 4.511 4.350 -0.000 0.000 0.316 370 T C 0.319 175.023 174.700 0.007 0.000 1.036 370 T CA 0.054 62.155 62.100 0.002 0.000 1.009 370 T CB 0.345 69.203 68.868 -0.017 0.000 1.017 370 T HN 0.476 nan 8.240 nan 0.000 0.530 371 D N 2.043 122.444 120.400 0.002 0.000 2.662 371 D HA 0.022 4.662 4.640 -0.000 0.000 0.233 371 D C -1.401 174.921 176.300 0.036 0.000 1.129 371 D CA -1.246 52.771 54.000 0.029 0.000 0.851 371 D CB 0.524 41.333 40.800 0.015 0.000 1.152 371 D HN 0.401 nan 8.370 nan 0.000 0.507 372 P HA 0.207 nan 4.420 nan 0.000 0.290 372 P C -0.073 177.251 177.300 0.040 0.000 1.519 372 P CA -0.254 62.893 63.100 0.078 0.000 1.189 372 P CB 0.612 32.383 31.700 0.118 0.000 1.569 373 D N 1.327 121.743 120.400 0.027 0.000 2.351 373 D HA -0.109 4.531 4.640 -0.000 0.000 0.216 373 D C 1.047 177.363 176.300 0.026 0.000 0.968 373 D CA 0.943 54.954 54.000 0.018 0.000 0.899 373 D CB -0.309 40.499 40.800 0.014 0.000 0.907 373 D HN 0.378 nan 8.370 nan 0.000 0.514 374 N N 0.073 118.797 118.700 0.040 0.000 2.336 374 N HA -0.032 4.708 4.740 -0.000 0.000 0.189 374 N C 0.532 176.086 175.510 0.074 0.000 1.113 374 N CA 0.040 53.134 53.050 0.074 0.000 0.858 374 N CB -0.025 38.520 38.487 0.097 0.000 0.970 374 N HN 0.023 nan 8.380 nan 0.000 0.471 375 R N 0.082 120.594 120.500 0.021 0.000 2.767 375 R HA 0.460 4.800 4.340 -0.000 0.000 0.377 375 R C -0.198 176.146 176.300 0.073 0.000 1.151 375 R CA -0.321 55.778 56.100 -0.002 0.000 1.046 375 R CB 0.776 30.980 30.300 -0.159 0.000 1.404 375 R HN 0.147 nan 8.270 nan 0.000 0.580 376 A N 1.317 124.169 122.820 0.053 0.000 2.386 376 A HA 0.185 4.505 4.320 -0.000 0.000 0.246 376 A C 0.142 177.800 177.584 0.123 0.000 1.089 376 A CA -0.327 51.737 52.037 0.045 0.000 0.790 376 A CB 0.275 19.282 19.000 0.012 0.000 1.042 376 A HN 0.447 nan 8.150 nan 0.000 0.497 377 R N 1.037 121.578 120.500 0.068 0.000 2.590 377 R HA 0.218 4.558 4.340 -0.000 0.000 0.274 377 R C -0.046 176.297 176.300 0.072 0.000 1.061 377 R CA -0.287 55.861 56.100 0.080 0.000 1.081 377 R CB 0.137 30.442 30.300 0.007 0.000 0.984 377 R HN 0.694 nan 8.270 nan 0.000 0.448 378 I N 7.366 128.002 120.570 0.110 0.000 2.828 378 I HA -0.023 4.147 4.170 -0.000 0.000 0.292 378 I C -1.355 174.635 176.117 -0.211 0.000 1.206 378 I CA -1.266 60.029 61.300 -0.009 0.000 1.420 378 I CB 1.116 39.095 38.000 -0.034 0.000 1.368 378 I HN 0.720 nan 8.210 nan 0.000 0.556 379 P HA 0.010 nan 4.420 nan 0.000 0.231 379 P C -0.053 177.113 177.300 -0.223 0.000 1.168 379 P CA 0.464 63.474 63.100 -0.150 0.000 0.779 379 P CB 0.268 31.931 31.700 -0.062 0.000 0.844 380 S N -1.582 113.916 115.700 -0.337 0.000 2.567 380 S HA 0.526 4.996 4.470 -0.000 0.000 0.270 380 S C -1.534 172.761 174.600 -0.508 0.000 1.152 380 S CA -0.612 57.389 58.200 -0.332 0.000 0.835 380 S CB 0.124 63.266 63.200 -0.096 0.000 1.115 380 S HN -0.212 nan 8.310 nan 0.000 0.459 381 F N 2.203 122.080 119.950 -0.121 0.000 2.881 381 F HA 0.445 4.972 4.527 0.000 0.000 0.343 381 F C 1.018 176.883 175.800 0.109 0.000 1.233 381 F CA -0.437 57.417 58.000 -0.244 0.000 1.262 381 F CB 0.709 39.452 39.000 -0.428 0.000 0.980 381 F HN 0.520 nan 8.300 nan 0.000 0.506 382 S N 0.132 115.966 115.700 0.223 0.000 2.565 382 S HA 0.223 4.693 4.470 -0.000 0.000 0.276 382 S C 1.316 175.858 174.600 -0.096 0.000 1.326 382 S CA 0.261 58.513 58.200 0.087 0.000 1.045 382 S CB 0.763 63.989 63.200 0.044 0.000 0.918 382 S HN 0.455 nan 8.310 nan 0.000 0.505 383 T N 1.029 115.368 114.554 -0.358 0.000 3.069 383 T HA 0.200 4.550 4.350 -0.000 0.000 0.252 383 T C 1.119 175.506 174.700 -0.521 0.000 1.053 383 T CA 0.102 61.589 62.100 -1.022 0.000 0.964 383 T CB -0.055 68.372 68.868 -0.735 0.000 1.005 383 T HN 0.411 nan 8.240 nan 0.000 0.532 384 S N 2.123 117.700 115.700 -0.204 0.000 2.575 384 S HA 0.129 4.599 4.470 -0.000 0.000 0.215 384 S C 1.193 175.806 174.600 0.021 0.000 0.966 384 S CA 0.201 58.362 58.200 -0.065 0.000 0.911 384 S CB -0.160 63.021 63.200 -0.032 0.000 0.780 384 S HN 0.891 nan 8.310 nan 0.000 0.514 385 T N 0.083 114.680 114.554 0.071 0.000 2.900 385 T HA 0.114 4.464 4.350 -0.000 0.000 0.307 385 T C 1.324 176.149 174.700 0.209 0.000 1.065 385 T CA -0.016 62.200 62.100 0.193 0.000 1.105 385 T CB 0.753 69.808 68.868 0.312 0.000 0.979 385 T HN 0.007 nan 8.240 nan 0.000 0.544 386 T N 2.210 116.904 114.554 0.234 0.000 2.777 386 T HA -0.008 4.342 4.350 -0.000 0.000 0.266 386 T C 2.409 177.214 174.700 0.175 0.000 1.040 386 T CA 1.359 63.569 62.100 0.183 0.000 1.141 386 T CB -0.807 68.159 68.868 0.164 0.000 0.868 386 T HN 0.832 nan 8.240 nan 0.000 0.444 387 A N 0.455 123.396 122.820 0.203 0.000 1.902 387 A HA -0.117 4.203 4.320 -0.000 0.000 0.217 387 A C 2.088 179.683 177.584 0.019 0.000 1.181 387 A CA 1.538 53.573 52.037 -0.003 0.000 0.623 387 A CB -1.019 17.765 19.000 -0.361 0.000 0.818 387 A HN 0.582 nan 8.150 nan 0.000 0.443 388 Y N 0.647 120.930 120.300 -0.029 0.000 2.181 388 Y HA -0.231 4.319 4.550 -0.000 0.000 0.288 388 Y C 2.448 178.323 175.900 -0.042 0.000 1.146 388 Y CA 2.289 60.366 58.100 -0.037 0.000 1.164 388 Y CB -0.354 38.103 38.460 -0.006 0.000 0.982 388 Y HN 0.467 nan 8.280 nan 0.000 0.515 389 Q N -1.223 118.723 119.800 0.244 0.000 2.172 389 Q HA -0.106 4.234 4.340 -0.000 0.000 0.200 389 Q C 2.293 178.312 176.000 0.032 0.000 0.964 389 Q CA 1.394 57.284 55.803 0.146 0.000 0.855 389 Q CB -0.110 28.698 28.738 0.116 0.000 0.918 389 Q HN 0.345 nan 8.270 nan 0.000 0.444 390 V N 0.936 120.856 119.914 0.010 0.000 2.343 390 V HA -0.261 3.859 4.120 -0.000 0.000 0.247 390 V C 2.042 178.092 176.094 -0.073 0.000 1.051 390 V CA 1.626 63.907 62.300 -0.031 0.000 1.036 390 V CB -0.372 31.431 31.823 -0.034 0.000 0.654 390 V HN 0.350 nan 8.190 nan 0.000 0.451 391 I N 0.015 120.518 120.570 -0.112 0.000 2.252 391 I HA -0.290 3.880 4.170 -0.000 0.000 0.245 391 I C 2.672 178.688 176.117 -0.168 0.000 1.102 391 I CA 1.890 63.094 61.300 -0.159 0.000 1.385 391 I CB -0.470 37.391 38.000 -0.232 0.000 1.064 391 I HN 0.404 nan 8.210 nan 0.000 0.414 392 Q N 1.705 121.400 119.800 -0.175 0.000 2.170 392 Q HA -0.237 4.103 4.340 -0.000 0.000 0.203 392 Q C 1.974 177.928 176.000 -0.078 0.000 0.976 392 Q CA 1.635 57.361 55.803 -0.129 0.000 0.858 392 Q CB 0.038 28.752 28.738 -0.040 0.000 0.907 392 Q HN 0.466 nan 8.270 nan 0.000 0.433 393 K N -0.219 120.144 120.400 -0.062 0.000 2.137 393 K HA 0.066 4.386 4.320 -0.000 0.000 0.202 393 K C 2.038 178.596 176.600 -0.070 0.000 1.052 393 K CA 0.714 56.969 56.287 -0.053 0.000 0.961 393 K CB 0.260 32.737 32.500 -0.040 0.000 0.741 393 K HN 0.245 nan 8.250 nan 0.000 0.452 394 L N -0.052 121.121 121.223 -0.083 0.000 2.253 394 L HA 0.093 4.433 4.340 -0.000 0.000 0.205 394 L C 2.488 179.297 176.870 -0.101 0.000 1.078 394 L CA 0.378 55.163 54.840 -0.090 0.000 0.805 394 L CB -0.406 41.599 42.059 -0.090 0.000 0.963 394 L HN 0.089 nan 8.230 nan 0.000 0.459 395 A N 1.336 124.090 122.820 -0.110 0.000 1.903 395 A HA -0.172 4.148 4.320 -0.000 0.000 0.219 395 A C -0.202 177.311 177.584 -0.119 0.000 1.191 395 A CA 1.996 53.962 52.037 -0.117 0.000 0.638 395 A CB -1.907 17.018 19.000 -0.126 0.000 0.823 395 A HN 0.272 nan 8.150 nan 0.000 0.451 396 P HA -0.080 nan 4.420 nan 0.000 0.222 396 P C 1.219 178.453 177.300 -0.110 0.000 1.147 396 P CA 0.626 63.663 63.100 -0.105 0.000 0.790 396 P CB -0.163 31.485 31.700 -0.087 0.000 0.780 397 L N -0.931 120.228 121.223 -0.107 0.000 2.265 397 L HA -0.128 4.212 4.340 -0.000 0.000 0.215 397 L C 2.385 179.171 176.870 -0.141 0.000 1.117 397 L CA 1.246 56.022 54.840 -0.107 0.000 0.782 397 L CB -0.599 41.404 42.059 -0.095 0.000 0.914 397 L HN 0.007 nan 8.230 nan 0.000 0.441 398 R N -0.129 120.272 120.500 -0.164 0.000 2.189 398 R HA -0.082 4.258 4.340 -0.000 0.000 0.223 398 R C 1.979 178.130 176.300 -0.248 0.000 1.092 398 R CA 0.637 56.604 56.100 -0.221 0.000 0.989 398 R CB -0.011 30.157 30.300 -0.221 0.000 0.876 398 R HN 0.333 nan 8.270 nan 0.000 0.457 399 K N 0.149 120.434 120.400 -0.192 0.000 2.168 399 K HA 0.008 4.328 4.320 -0.000 0.000 0.201 399 K C 2.207 178.719 176.600 -0.147 0.000 1.049 399 K CA 1.068 57.249 56.287 -0.177 0.000 0.974 399 K CB -0.024 32.388 32.500 -0.146 0.000 0.792 399 K HN 0.298 nan 8.250 nan 0.000 0.463 400 C N 0.620 119.847 119.300 -0.123 0.000 2.594 400 C HA 0.246 4.706 4.460 -0.000 0.000 0.265 400 C C 0.803 175.736 174.990 -0.094 0.000 1.351 400 C CA -0.555 58.405 59.018 -0.097 0.000 1.744 400 C CB -0.895 26.797 27.740 -0.079 0.000 1.890 400 C HN 0.168 nan 8.230 nan 0.000 0.551 401 N N 1.611 120.244 118.700 -0.112 0.000 2.682 401 N HA 0.309 5.049 4.740 -0.000 0.000 0.252 401 N C -2.033 173.403 175.510 -0.123 0.000 1.081 401 N CA -1.799 51.197 53.050 -0.090 0.000 0.844 401 N CB 1.337 39.784 38.487 -0.067 0.000 1.167 401 N HN 0.084 nan 8.380 nan 0.000 0.523 402 P HA -0.113 nan 4.420 nan 0.000 0.222 402 P C 0.999 178.230 177.300 -0.114 0.000 1.142 402 P CA 0.757 63.757 63.100 -0.165 0.000 0.788 402 P CB 0.284 32.082 31.700 0.163 0.000 0.767 403 A N -0.120 122.727 122.820 0.045 0.000 1.933 403 A HA -0.157 4.163 4.320 -0.000 0.000 0.218 403 A C 2.245 179.819 177.584 -0.015 0.000 1.175 403 A CA 1.365 53.463 52.037 0.103 0.000 0.628 403 A CB -1.428 17.640 19.000 0.113 0.000 0.814 403 A HN 0.174 nan 8.150 nan 0.000 0.444 404 I N -0.798 119.716 120.570 -0.094 0.000 2.500 404 I HA -0.151 4.019 4.170 -0.000 0.000 0.252 404 I C 2.798 178.774 176.117 -0.234 0.000 1.142 404 I CA 0.817 62.042 61.300 -0.124 0.000 1.451 404 I CB -0.181 37.746 38.000 -0.121 0.000 1.093 404 I HN 0.356 nan 8.210 nan 0.000 0.430 405 A N 0.108 122.675 122.820 -0.421 0.000 1.930 405 A HA -0.102 4.218 4.320 -0.000 0.000 0.215 405 A C 1.521 178.730 177.584 -0.626 0.000 1.176 405 A CA 1.376 53.005 52.037 -0.680 0.000 0.632 405 A CB -0.303 18.021 19.000 -1.128 0.000 0.819 405 A HN 0.465 nan 8.150 nan 0.000 0.445 406 Y N -0.955 119.127 120.300 -0.362 0.000 2.563 406 Y HA 0.366 4.916 4.550 -0.000 0.000 0.250 406 Y C 1.452 177.213 175.900 -0.230 0.000 1.126 406 Y CA -1.028 56.815 58.100 -0.429 0.000 1.231 406 Y CB -0.702 37.159 38.460 -0.999 0.000 1.288 406 Y HN 0.204 nan 8.280 nan 0.000 0.537 407 G N 1.123 109.939 108.800 0.026 0.000 2.594 407 G HA2 0.333 4.293 3.960 -0.000 0.000 0.243 407 G HA3 0.333 4.293 3.960 -0.000 0.000 0.243 407 G C 0.404 175.397 174.900 0.154 0.000 1.229 407 G CA -0.026 45.185 45.100 0.186 0.000 0.843 407 G HN 0.256 nan 8.290 nan 0.000 0.578 408 S N -0.542 115.265 115.700 0.179 0.000 2.626 408 S HA 0.559 5.029 4.470 -0.000 0.000 0.257 408 S C 0.039 174.717 174.600 0.131 0.000 1.288 408 S CA -0.338 57.945 58.200 0.138 0.000 0.980 408 S CB 1.251 64.531 63.200 0.133 0.000 0.975 408 S HN 0.613 nan 8.310 nan 0.000 0.577 409 T N 1.268 115.893 114.554 0.119 0.000 2.879 409 T HA 0.515 4.865 4.350 -0.000 0.000 0.290 409 T C -1.028 173.757 174.700 0.141 0.000 0.993 409 T CA -0.533 61.651 62.100 0.139 0.000 0.975 409 T CB 1.372 70.296 68.868 0.094 0.000 0.981 409 T HN 0.680 nan 8.240 nan 0.000 0.439 410 Q N 2.114 122.023 119.800 0.180 0.000 2.323 410 Q HA 0.310 4.649 4.340 -0.000 0.000 0.271 410 Q C -0.987 175.135 176.000 0.202 0.000 1.048 410 Q CA -0.732 55.167 55.803 0.160 0.000 0.792 410 Q CB 1.752 30.569 28.738 0.132 0.000 1.280 410 Q HN 0.610 nan 8.270 nan 0.000 0.441 411 E N 3.458 123.760 120.200 0.170 0.000 2.324 411 E HA 0.052 4.402 4.350 -0.000 0.000 0.271 411 E C -0.260 176.441 176.600 0.168 0.000 1.028 411 E CA 0.153 56.664 56.400 0.184 0.000 0.890 411 E CB 0.662 30.438 29.700 0.126 0.000 1.004 411 E HN 0.622 nan 8.360 nan 0.000 0.431 412 R N 3.341 123.969 120.500 0.214 0.000 2.287 412 R HA 0.140 4.480 4.340 -0.000 0.000 0.197 412 R C -0.203 176.266 176.300 0.282 0.000 0.900 412 R CA 0.246 56.475 56.100 0.215 0.000 1.052 412 R CB 0.410 30.844 30.300 0.223 0.000 1.117 412 R HN 0.573 nan 8.270 nan 0.000 0.568 413 W N 0.103 121.455 121.300 0.086 0.000 3.425 413 W HA 0.598 5.258 4.660 -0.000 0.000 0.318 413 W C -1.548 174.988 176.519 0.028 0.000 1.201 413 W CA -0.549 56.830 57.345 0.056 0.000 1.212 413 W CB 1.374 30.870 29.460 0.060 0.000 1.355 413 W HN -0.188 nan 8.180 nan 0.000 0.515 414 I N 5.977 126.465 120.570 -0.137 0.000 2.828 414 I HA 0.422 4.592 4.170 -0.000 0.000 0.295 414 I C -1.634 174.279 176.117 -0.339 0.000 1.459 414 I CA -0.502 60.720 61.300 -0.130 0.000 1.015 414 I CB 1.714 39.596 38.000 -0.196 0.000 1.345 414 I HN 0.682 nan 8.210 nan 0.000 0.449 415 N N 3.593 122.147 118.700 -0.244 0.000 3.449 415 N HA 0.344 5.084 4.740 -0.000 0.000 0.312 415 N C -0.293 175.070 175.510 -0.245 0.000 1.582 415 N CA -0.627 52.324 53.050 -0.165 0.000 0.850 415 N CB -0.008 38.483 38.487 0.005 0.000 1.822 415 N HN 0.421 nan 8.380 nan 0.000 0.577 416 N N -0.253 118.449 118.700 0.004 0.000 2.060 416 N HA -0.120 4.620 4.740 -0.000 0.000 0.195 416 N C -0.136 175.323 175.510 -0.085 0.000 1.028 416 N CA 1.925 54.983 53.050 0.013 0.000 0.861 416 N CB -0.305 38.227 38.487 0.075 0.000 1.029 416 N HN 0.585 nan 8.380 nan 0.000 0.428 417 D N -0.843 119.530 120.400 -0.044 0.000 2.398 417 D HA 0.123 4.763 4.640 -0.000 0.000 0.210 417 D C -0.222 176.061 176.300 -0.030 0.000 1.094 417 D CA 0.086 54.052 54.000 -0.056 0.000 0.839 417 D CB 1.167 41.958 40.800 -0.015 0.000 0.963 417 D HN -0.043 nan 8.370 nan 0.000 0.506 418 V N 1.822 121.750 119.914 0.023 0.000 2.495 418 V HA 0.422 4.542 4.120 -0.000 0.000 0.298 418 V C -0.666 175.496 176.094 0.115 0.000 1.031 418 V CA -0.870 61.498 62.300 0.113 0.000 0.871 418 V CB 2.492 34.473 31.823 0.263 0.000 0.988 418 V HN -0.055 nan 8.190 nan 0.000 0.432 419 L N 6.452 127.762 121.223 0.144 0.000 2.439 419 L HA 0.666 5.006 4.340 -0.000 0.000 0.270 419 L C -1.002 176.044 176.870 0.293 0.000 0.972 419 L CA 0.086 55.044 54.840 0.197 0.000 0.836 419 L CB 1.556 43.700 42.059 0.142 0.000 1.255 419 L HN 0.577 nan 8.230 nan 0.000 0.404 420 I N 6.382 127.147 120.570 0.325 0.000 2.411 420 I HA 0.366 4.536 4.170 -0.000 0.000 0.284 420 I C -1.106 175.187 176.117 0.293 0.000 1.012 420 I CA -0.708 60.750 61.300 0.263 0.000 1.119 420 I CB 1.030 39.215 38.000 0.307 0.000 1.261 420 I HN 0.605 nan 8.210 nan 0.000 0.448 421 Y N 3.397 123.815 120.300 0.196 0.000 2.549 421 Y HA 0.770 5.320 4.550 -0.000 0.000 0.339 421 Y C -0.609 175.380 175.900 0.148 0.000 1.053 421 Y CA -1.330 56.873 58.100 0.172 0.000 1.105 421 Y CB 1.109 39.680 38.460 0.184 0.000 1.258 421 Y HN 0.487 nan 8.280 nan 0.000 0.478 422 E N 2.209 122.573 120.200 0.273 0.000 2.222 422 E HA 0.481 4.831 4.350 -0.000 0.000 0.267 422 E C -1.214 175.512 176.600 0.210 0.000 0.884 422 E CA -1.130 55.372 56.400 0.171 0.000 0.764 422 E CB 1.106 30.886 29.700 0.134 0.000 1.169 422 E HN 0.645 nan 8.360 nan 0.000 0.413 423 R N 3.431 124.031 120.500 0.166 0.000 2.393 423 R HA 0.464 4.804 4.340 -0.000 0.000 0.310 423 R C -0.748 175.639 176.300 0.145 0.000 0.968 423 R CA -0.686 55.509 56.100 0.158 0.000 0.867 423 R CB 1.509 31.886 30.300 0.129 0.000 1.124 423 R HN 0.498 nan 8.270 nan 0.000 0.450 424 K N 2.021 122.523 120.400 0.169 0.000 2.468 424 K HA 0.501 4.821 4.320 -0.000 0.000 0.252 424 K C -1.836 174.934 176.600 0.284 0.000 0.932 424 K CA -0.606 55.792 56.287 0.186 0.000 0.794 424 K CB 1.474 34.060 32.500 0.143 0.000 1.241 424 K HN 0.409 nan 8.250 nan 0.000 0.428 425 F N 3.650 123.649 119.950 0.081 0.000 2.991 425 F HA 0.390 4.917 4.527 -0.000 0.000 0.355 425 F C 0.168 176.007 175.800 0.066 0.000 1.262 425 F CA 0.631 58.683 58.000 0.086 0.000 1.127 425 F CB 1.062 40.129 39.000 0.112 0.000 1.447 425 F HN 0.803 nan 8.300 nan 0.000 0.584 426 G N 3.347 111.888 108.800 -0.433 0.000 2.611 426 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.301 426 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.301 426 G C 0.316 175.169 174.900 -0.079 0.000 1.233 426 G CA 0.120 45.018 45.100 -0.337 0.000 0.993 426 G HN 0.965 nan 8.290 nan 0.000 0.553 427 S N 2.684 118.361 115.700 -0.040 0.000 2.699 427 S HA 0.343 4.813 4.470 -0.000 0.000 0.251 427 S C 0.184 174.816 174.600 0.053 0.000 1.179 427 S CA -0.149 58.098 58.200 0.078 0.000 1.200 427 S CB -0.620 62.616 63.200 0.059 0.000 0.848 427 S HN 0.519 nan 8.310 nan 0.000 0.472 428 N N 0.673 119.431 118.700 0.097 0.000 2.235 428 N HA 0.545 5.285 4.740 -0.000 0.000 0.293 428 N C -1.320 174.300 175.510 0.183 0.000 1.083 428 N CA -0.386 52.716 53.050 0.086 0.000 0.801 428 N CB 2.417 40.947 38.487 0.071 0.000 1.559 428 N HN -0.041 nan 8.380 nan 0.000 0.472 429 V N 0.159 120.194 119.914 0.202 0.000 3.049 429 V HA 0.879 4.999 4.120 -0.000 0.000 0.309 429 V C -1.000 175.162 176.094 0.112 0.000 1.148 429 V CA -0.783 61.617 62.300 0.168 0.000 0.990 429 V CB 2.043 33.971 31.823 0.175 0.000 1.039 429 V HN 0.885 nan 8.190 nan 0.000 0.430 430 A N 2.485 125.350 122.820 0.075 0.000 2.459 430 A HA 0.872 5.192 4.320 -0.000 0.000 0.296 430 A C -1.592 175.998 177.584 0.010 0.000 1.039 430 A CA -0.484 51.573 52.037 0.033 0.000 0.698 430 A CB 1.957 20.964 19.000 0.011 0.000 1.261 430 A HN 0.761 nan 8.150 nan 0.000 0.405 431 V N 2.370 122.279 119.914 -0.007 0.000 2.540 431 V HA 0.602 4.721 4.120 -0.000 0.000 0.302 431 V C -0.505 175.466 176.094 -0.205 0.000 1.035 431 V CA -0.558 61.727 62.300 -0.024 0.000 0.873 431 V CB 1.735 33.654 31.823 0.159 0.000 0.992 431 V HN 0.731 nan 8.190 nan 0.000 0.428 432 V N 3.538 123.173 119.914 -0.465 0.000 2.487 432 V HA 0.831 4.951 4.120 -0.000 0.000 0.298 432 V C 0.203 176.028 176.094 -0.448 0.000 1.028 432 V CA -0.583 61.349 62.300 -0.614 0.000 0.860 432 V CB 1.730 33.052 31.823 -0.836 0.000 0.991 432 V HN 0.984 nan 8.190 nan 0.000 0.427 433 A N 4.617 127.245 122.820 -0.320 0.000 2.303 433 A HA 0.891 5.211 4.320 -0.000 0.000 0.320 433 A C -0.878 176.699 177.584 -0.012 0.000 1.192 433 A CA -0.534 51.464 52.037 -0.064 0.000 0.821 433 A CB 1.422 20.465 19.000 0.072 0.000 1.188 433 A HN 0.735 nan 8.150 nan 0.000 0.492 434 V N 2.950 122.926 119.914 0.103 0.000 2.569 434 V HA 0.365 4.485 4.120 -0.000 0.000 0.301 434 V C -0.729 175.446 176.094 0.136 0.000 1.044 434 V CA -0.773 61.616 62.300 0.148 0.000 0.874 434 V CB 1.950 33.935 31.823 0.270 0.000 1.002 434 V HN 0.896 nan 8.190 nan 0.000 0.424 435 N N 3.419 122.189 118.700 0.116 0.000 2.558 435 N HA 0.298 5.038 4.740 -0.000 0.000 0.242 435 N C 1.106 176.674 175.510 0.097 0.000 0.979 435 N CA -0.751 52.350 53.050 0.085 0.000 0.931 435 N CB 1.207 39.732 38.487 0.065 0.000 1.122 435 N HN 0.701 nan 8.380 nan 0.000 0.508 436 R N 2.092 122.629 120.500 0.062 0.000 2.189 436 R HA 0.024 4.364 4.340 -0.000 0.000 0.223 436 R C 0.226 176.555 176.300 0.048 0.000 1.092 436 R CA 0.423 56.558 56.100 0.059 0.000 0.989 436 R CB -0.199 30.018 30.300 -0.138 0.000 0.876 436 R HN 0.249 nan 8.270 nan 0.000 0.457 437 N N 1.836 120.554 118.700 0.030 0.000 2.416 437 N HA -0.023 4.717 4.740 -0.000 0.000 0.271 437 N C 0.280 175.818 175.510 0.047 0.000 1.245 437 N CA 0.140 53.209 53.050 0.031 0.000 0.940 437 N CB 0.759 39.261 38.487 0.025 0.000 1.175 437 N HN 0.321 nan 8.380 nan 0.000 0.483 438 L N 2.863 124.117 121.223 0.052 0.000 2.599 438 L HA 0.055 4.395 4.340 -0.000 0.000 0.230 438 L C 0.369 177.266 176.870 0.044 0.000 1.141 438 L CA 0.487 55.361 54.840 0.057 0.000 0.877 438 L CB -0.127 41.972 42.059 0.067 0.000 1.009 438 L HN 0.490 nan 8.230 nan 0.000 0.447 439 N N -0.414 118.308 118.700 0.036 0.000 2.143 439 N HA 0.321 5.061 4.740 -0.000 0.000 0.222 439 N C -0.099 175.427 175.510 0.027 0.000 1.264 439 N CA -0.024 53.044 53.050 0.030 0.000 0.897 439 N CB 1.347 39.850 38.487 0.026 0.000 1.092 439 N HN 0.117 nan 8.380 nan 0.000 0.516 440 A N 1.459 124.297 122.820 0.029 0.000 2.402 440 A HA 0.565 4.885 4.320 -0.000 0.000 0.291 440 A C -2.791 174.809 177.584 0.027 0.000 1.051 440 A CA -1.335 50.718 52.037 0.027 0.000 0.716 440 A CB 1.638 20.654 19.000 0.026 0.000 1.223 440 A HN -0.144 nan 8.150 nan 0.000 0.425 441 P HA 0.564 nan 4.420 nan 0.000 0.276 441 P C -0.344 176.957 177.300 0.003 0.000 1.261 441 P CA -0.162 62.947 63.100 0.016 0.000 0.800 441 P CB 1.425 33.135 31.700 0.016 0.000 1.066 442 A N 0.442 123.245 122.820 -0.029 0.000 2.435 442 A HA 0.586 4.906 4.320 -0.000 0.000 0.304 442 A C -0.561 176.924 177.584 -0.165 0.000 1.064 442 A CA -0.533 51.466 52.037 -0.063 0.000 0.727 442 A CB 0.988 19.952 19.000 -0.060 0.000 1.284 442 A HN 0.362 nan 8.150 nan 0.000 0.415 443 S N 2.054 117.662 115.700 -0.154 0.000 2.410 443 S HA 0.430 4.900 4.470 -0.000 0.000 0.304 443 S C -0.264 174.087 174.600 -0.415 0.000 1.095 443 S CA -0.394 57.671 58.200 -0.226 0.000 1.089 443 S CB 0.176 63.324 63.200 -0.087 0.000 0.968 443 S HN 0.461 nan 8.310 nan 0.000 0.480 444 I N 4.344 124.442 120.570 -0.787 0.000 2.291 444 I HA 0.302 4.472 4.170 -0.000 0.000 0.290 444 I C 0.580 176.311 176.117 -0.644 0.000 1.050 444 I CA -0.278 60.318 61.300 -1.174 0.000 1.245 444 I CB -0.133 36.726 38.000 -1.902 0.000 1.405 444 I HN 0.597 nan 8.210 nan 0.000 0.478 445 S N 2.736 118.326 115.700 -0.183 0.000 2.542 445 S HA 0.802 5.272 4.470 -0.000 0.000 0.293 445 S C 0.560 175.315 174.600 0.259 0.000 1.089 445 S CA -0.032 58.182 58.200 0.024 0.000 0.961 445 S CB 2.255 65.485 63.200 0.049 0.000 1.062 445 S HN 1.138 nan 8.310 nan 0.000 0.483 446 G N 0.216 109.124 108.800 0.180 0.000 2.143 446 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.249 446 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.249 446 G C -0.220 174.843 174.900 0.272 0.000 0.981 446 G CA 0.134 45.360 45.100 0.210 0.000 0.665 446 G HN 1.266 nan 8.290 nan 0.000 0.528 447 L N 1.336 122.717 121.223 0.263 0.000 2.410 447 L HA 0.655 4.994 4.340 -0.000 0.000 0.273 447 L C 0.206 177.175 176.870 0.163 0.000 1.144 447 L CA -0.337 54.670 54.840 0.278 0.000 0.863 447 L CB 1.362 43.535 42.059 0.190 0.000 1.140 447 L HN 0.076 nan 8.230 nan 0.000 0.463 448 V N 4.877 124.883 119.914 0.154 0.000 2.555 448 V HA 0.721 4.841 4.120 -0.000 0.000 0.302 448 V C 0.252 176.394 176.094 0.080 0.000 1.038 448 V CA 0.041 62.396 62.300 0.091 0.000 0.887 448 V CB 1.873 33.742 31.823 0.077 0.000 0.991 448 V HN 0.999 nan 8.190 nan 0.000 0.434 449 T N 0.567 115.143 114.554 0.038 0.000 2.831 449 T HA 0.386 4.736 4.350 -0.000 0.000 0.287 449 T C 0.412 175.110 174.700 -0.002 0.000 1.070 449 T CA -0.384 61.728 62.100 0.021 0.000 1.010 449 T CB 1.992 70.847 68.868 -0.021 0.000 1.264 449 T HN 0.306 nan 8.240 nan 0.000 0.532 450 S N 0.043 115.740 115.700 -0.006 0.000 2.577 450 S HA 0.335 4.805 4.470 -0.000 0.000 0.219 450 S C 0.578 175.135 174.600 -0.072 0.000 0.962 450 S CA -0.488 57.703 58.200 -0.015 0.000 0.921 450 S CB -0.655 62.559 63.200 0.023 0.000 0.789 450 S HN 0.472 nan 8.310 nan 0.000 0.497 451 L N 2.710 123.860 121.223 -0.121 0.000 2.426 451 L HA 0.256 4.596 4.340 -0.000 0.000 0.271 451 L C -2.286 174.485 176.870 -0.167 0.000 1.169 451 L CA -1.869 52.841 54.840 -0.217 0.000 0.836 451 L CB -0.025 41.767 42.059 -0.447 0.000 1.112 451 L HN -0.062 nan 8.230 nan 0.000 0.465 452 P HA 0.015 nan 4.420 nan 0.000 0.272 452 P C -0.879 176.437 177.300 0.026 0.000 1.230 452 P CA -0.470 62.532 63.100 -0.163 0.000 0.788 452 P CB 0.430 31.930 31.700 -0.334 0.000 0.949 453 Q N 0.697 120.493 119.800 -0.007 0.000 2.315 453 Q HA 0.378 4.718 4.340 -0.000 0.000 0.289 453 Q C 0.237 176.245 176.000 0.012 0.000 1.044 453 Q CA 0.906 56.718 55.803 0.016 0.000 0.920 453 Q CB -0.244 28.484 28.738 -0.015 0.000 1.214 453 Q HN 0.727 nan 8.270 nan 0.000 0.392 454 G N 1.496 110.302 108.800 0.010 0.000 2.362 454 G HA2 0.042 4.002 3.960 -0.000 0.000 0.288 454 G HA3 0.042 4.002 3.960 -0.000 0.000 0.288 454 G C -1.544 173.269 174.900 -0.144 0.000 1.305 454 G CA -0.654 44.373 45.100 -0.122 0.000 0.910 454 G HN 0.513 nan 8.290 nan 0.000 0.518 455 S N -0.344 115.186 115.700 -0.283 0.000 2.437 455 S HA 0.719 5.188 4.470 -0.000 0.000 0.305 455 S C -1.387 172.993 174.600 -0.366 0.000 1.109 455 S CA -0.274 57.796 58.200 -0.217 0.000 1.099 455 S CB 0.734 63.843 63.200 -0.151 0.000 1.004 455 S HN 0.441 nan 8.310 nan 0.000 0.475 456 Y N 2.443 122.641 120.300 -0.170 0.000 2.328 456 Y HA 0.399 4.949 4.550 -0.000 0.000 0.336 456 Y C 0.446 176.356 175.900 0.017 0.000 0.960 456 Y CA -1.073 56.983 58.100 -0.074 0.000 1.134 456 Y CB 0.893 39.303 38.460 -0.084 0.000 1.166 456 Y HN 0.492 nan 8.280 nan 0.000 0.464 457 N N 2.045 120.872 118.700 0.212 0.000 2.529 457 N HA 0.027 4.767 4.740 -0.000 0.000 0.278 457 N C -0.738 174.973 175.510 0.335 0.000 1.146 457 N CA -0.422 52.754 53.050 0.210 0.000 0.980 457 N CB 0.665 39.212 38.487 0.100 0.000 1.124 457 N HN 0.648 nan 8.380 nan 0.000 0.458 458 D N 1.125 121.701 120.400 0.293 0.000 2.450 458 D HA -0.028 4.612 4.640 -0.000 0.000 0.247 458 D C 1.006 177.310 176.300 0.007 0.000 1.162 458 D CA -0.100 53.952 54.000 0.088 0.000 0.879 458 D CB 0.729 41.548 40.800 0.031 0.000 1.163 458 D HN 0.160 nan 8.370 nan 0.000 0.472 459 V N 4.376 124.252 119.914 -0.064 0.000 2.594 459 V HA -0.210 3.910 4.120 -0.000 0.000 0.253 459 V C 2.210 178.272 176.094 -0.053 0.000 1.069 459 V CA 1.296 63.570 62.300 -0.044 0.000 1.082 459 V CB -0.526 31.256 31.823 -0.068 0.000 0.680 459 V HN 0.658 nan 8.190 nan 0.000 0.469 460 L N 0.383 121.555 121.223 -0.084 0.000 2.552 460 L HA 0.188 4.528 4.340 -0.000 0.000 0.227 460 L C 1.750 178.604 176.870 -0.027 0.000 1.146 460 L CA 0.800 55.603 54.840 -0.061 0.000 0.858 460 L CB -0.699 41.311 42.059 -0.082 0.000 0.969 460 L HN 0.547 nan 8.230 nan 0.000 0.451 461 G N 0.201 108.993 108.800 -0.014 0.000 2.283 461 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.280 461 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.280 461 G C 0.995 175.902 174.900 0.012 0.000 1.029 461 G CA 0.405 45.510 45.100 0.008 0.000 0.840 461 G HN 0.670 nan 8.290 nan 0.000 0.505 462 G N -1.698 107.107 108.800 0.008 0.000 2.184 462 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.264 462 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.264 462 G C 1.273 176.181 174.900 0.013 0.000 0.975 462 G CA 1.143 46.253 45.100 0.017 0.000 0.642 462 G HN 1.717 nan 8.290 nan 0.000 0.536 463 L N 0.010 121.237 121.223 0.006 0.000 2.043 463 L HA 0.132 4.472 4.340 -0.000 0.000 0.212 463 L C 1.898 178.778 176.870 0.017 0.000 1.075 463 L CA 2.292 57.139 54.840 0.013 0.000 0.752 463 L CB -0.157 41.908 42.059 0.010 0.000 0.891 463 L HN 0.420 nan 8.230 nan 0.000 0.432 464 L N 0.101 121.327 121.223 0.006 0.000 3.108 464 L HA 0.266 4.606 4.340 -0.000 0.000 0.251 464 L C 0.195 177.076 176.870 0.019 0.000 1.315 464 L CA -0.192 54.656 54.840 0.014 0.000 1.048 464 L CB -0.719 41.342 42.059 0.004 0.000 1.432 464 L HN 0.318 nan 8.230 nan 0.000 0.543 465 N N -0.194 118.521 118.700 0.025 0.000 2.725 465 N HA -0.178 4.562 4.740 -0.000 0.000 0.249 465 N C 0.747 176.284 175.510 0.044 0.000 1.103 465 N CA 0.773 53.845 53.050 0.037 0.000 0.707 465 N CB -0.894 37.620 38.487 0.044 0.000 1.043 465 N HN 0.644 nan 8.380 nan 0.000 0.553 466 G N 0.028 108.841 108.800 0.023 0.000 2.653 466 G HA2 0.443 4.403 3.960 -0.000 0.000 0.265 466 G HA3 0.443 4.403 3.960 -0.000 0.000 0.265 466 G C 0.205 175.156 174.900 0.086 0.000 1.237 466 G CA 0.023 45.135 45.100 0.021 0.000 0.946 466 G HN 0.458 nan 8.290 nan 0.000 0.522 467 N N -2.116 116.684 118.700 0.166 0.000 2.853 467 N HA 0.271 5.011 4.740 -0.000 0.000 0.258 467 N C -1.120 174.550 175.510 0.268 0.000 1.444 467 N CA -0.616 52.539 53.050 0.174 0.000 0.837 467 N CB 1.183 39.755 38.487 0.140 0.000 1.489 467 N HN 0.336 nan 8.380 nan 0.000 0.529 468 T N 0.866 115.473 114.554 0.090 0.000 2.910 468 T HA 0.372 4.722 4.350 -0.000 0.000 0.293 468 T C -0.136 174.348 174.700 -0.360 0.000 1.015 468 T CA -0.245 61.851 62.100 -0.008 0.000 1.094 468 T CB 0.467 69.315 68.868 -0.033 0.000 0.968 468 T HN 0.370 nan 8.240 nan 0.000 0.521 469 L N 2.048 122.873 121.223 -0.663 0.000 2.334 469 L HA 0.629 4.969 4.340 -0.000 0.000 0.273 469 L C -0.331 176.268 176.870 -0.452 0.000 1.013 469 L CA -0.043 54.200 54.840 -0.995 0.000 0.816 469 L CB 2.183 43.088 42.059 -1.923 0.000 1.278 469 L HN 0.525 nan 8.230 nan 0.000 0.431 470 S N 2.782 118.275 115.700 -0.346 0.000 2.640 470 S HA 0.611 5.081 4.470 -0.000 0.000 0.320 470 S C -0.997 173.539 174.600 -0.107 0.000 1.097 470 S CA -0.474 57.633 58.200 -0.156 0.000 1.092 470 S CB 1.123 64.259 63.200 -0.108 0.000 0.988 470 S HN 0.367 nan 8.310 nan 0.000 0.470 471 V N 3.886 123.781 119.914 -0.032 0.000 2.398 471 V HA 0.664 4.784 4.120 -0.000 0.000 0.286 471 V C 1.010 177.103 176.094 -0.001 0.000 1.026 471 V CA -0.362 61.931 62.300 -0.012 0.000 0.868 471 V CB 1.290 33.137 31.823 0.040 0.000 0.982 471 V HN 0.870 nan 8.190 nan 0.000 0.443 472 G N 3.380 112.174 108.800 -0.010 0.000 2.773 472 G HA2 0.488 4.448 3.960 -0.000 0.000 0.186 472 G HA3 0.488 4.448 3.960 -0.000 0.000 0.186 472 G C 0.184 175.080 174.900 -0.008 0.000 1.411 472 G CA -0.088 45.007 45.100 -0.009 0.000 1.054 472 G HN 0.786 nan 8.290 nan 0.000 0.579 473 S N -1.423 114.273 115.700 -0.007 0.000 2.603 473 S HA 0.444 4.914 4.470 -0.000 0.000 0.268 473 S C 1.378 175.976 174.600 -0.004 0.000 1.317 473 S CA 0.536 58.732 58.200 -0.007 0.000 1.012 473 S CB 1.016 64.213 63.200 -0.005 0.000 0.926 473 S HN 2.268 nan 8.310 nan 0.000 0.539 474 G N 0.714 109.511 108.800 -0.006 0.000 2.228 474 G HA2 -0.004 3.956 3.960 -0.000 0.000 0.270 474 G HA3 -0.004 3.956 3.960 -0.000 0.000 0.270 474 G C 1.157 176.055 174.900 -0.003 0.000 0.976 474 G CA 0.648 45.748 45.100 -0.001 0.000 0.636 474 G HN 2.400 nan 8.290 nan 0.000 0.542 475 G N -1.276 107.518 108.800 -0.010 0.000 2.157 475 G HA2 0.218 4.178 3.960 -0.000 0.000 0.248 475 G HA3 0.218 4.178 3.960 -0.000 0.000 0.248 475 G C 0.693 175.588 174.900 -0.008 0.000 0.979 475 G CA 1.098 46.188 45.100 -0.018 0.000 0.650 475 G HN 2.304 nan 8.290 nan 0.000 0.529 476 A N 0.148 122.970 122.820 0.005 0.000 2.454 476 A HA 0.782 5.102 4.320 -0.000 0.000 0.260 476 A C 0.891 178.479 177.584 0.007 0.000 1.106 476 A CA 1.053 53.101 52.037 0.019 0.000 0.780 476 A CB 0.426 19.441 19.000 0.025 0.000 1.044 476 A HN 2.063 nan 8.150 nan 0.000 0.498 477 A N 2.998 125.827 122.820 0.015 0.000 2.327 477 A HA 0.607 4.927 4.320 -0.000 0.000 0.283 477 A C 0.855 178.460 177.584 0.035 0.000 1.127 477 A CA 0.156 52.191 52.037 -0.005 0.000 0.810 477 A CB 0.125 19.114 19.000 -0.018 0.000 1.066 477 A HN 1.828 nan 8.150 nan 0.000 0.492 478 S N 2.411 118.123 115.700 0.019 0.000 2.585 478 S HA 0.148 4.618 4.470 -0.000 0.000 0.273 478 S C 0.086 174.747 174.600 0.101 0.000 1.339 478 S CA -0.533 57.690 58.200 0.038 0.000 1.028 478 S CB -0.142 63.065 63.200 0.011 0.000 0.906 478 S HN 0.723 nan 8.310 nan 0.000 0.528 479 N N 1.252 119.987 118.700 0.058 0.000 2.353 479 N HA 0.362 5.102 4.740 -0.000 0.000 0.248 479 N C -0.549 175.027 175.510 0.111 0.000 1.240 479 N CA 0.423 53.485 53.050 0.020 0.000 0.862 479 N CB -0.023 38.458 38.487 -0.011 0.000 1.086 479 N HN 0.683 nan 8.380 nan 0.000 0.453 480 F N -2.143 117.745 119.950 -0.105 0.000 2.668 480 F HA 0.460 4.987 4.527 -0.000 0.000 0.309 480 F C -0.956 174.789 175.800 -0.091 0.000 1.117 480 F CA -1.134 56.811 58.000 -0.091 0.000 0.951 480 F CB 1.003 39.941 39.000 -0.103 0.000 1.323 480 F HN 0.064 nan 8.300 nan 0.000 0.451 481 T N 3.529 118.142 114.554 0.098 0.000 2.744 481 T HA 0.465 4.815 4.350 -0.000 0.000 0.291 481 T C -0.954 173.825 174.700 0.130 0.000 0.957 481 T CA -0.257 61.844 62.100 0.003 0.000 1.002 481 T CB 1.002 69.894 68.868 0.039 0.000 0.919 481 T HN 0.649 nan 8.240 nan 0.000 0.468 482 L N 4.871 126.091 121.223 -0.005 0.000 2.259 482 L HA 0.632 4.972 4.340 -0.000 0.000 0.288 482 L C 0.564 177.474 176.870 0.065 0.000 1.051 482 L CA -0.534 54.370 54.840 0.106 0.000 0.824 482 L CB -0.452 41.619 42.059 0.020 0.000 1.206 482 L HN 0.770 nan 8.230 nan 0.000 0.429 483 A N 4.458 127.334 122.820 0.093 0.000 2.583 483 A HA 0.437 4.757 4.320 -0.000 0.000 0.231 483 A C 0.702 178.319 177.584 0.055 0.000 1.065 483 A CA 0.312 52.388 52.037 0.065 0.000 0.760 483 A CB -0.189 18.852 19.000 0.068 0.000 1.001 483 A HN 1.173 nan 8.150 nan 0.000 0.509 484 A N 0.880 123.728 122.820 0.046 0.000 2.548 484 A HA 0.477 4.797 4.320 -0.000 0.000 0.247 484 A C 1.675 179.293 177.584 0.057 0.000 1.067 484 A CA 0.765 52.830 52.037 0.047 0.000 0.757 484 A CB -1.023 18.002 19.000 0.041 0.000 0.996 484 A HN 2.799 nan 8.150 nan 0.000 0.504 485 G N 2.022 110.862 108.800 0.067 0.000 2.203 485 G HA2 -0.019 3.941 3.960 -0.000 0.000 0.263 485 G HA3 -0.019 3.941 3.960 -0.000 0.000 0.263 485 G C 0.792 175.739 174.900 0.078 0.000 1.012 485 G CA 0.726 45.876 45.100 0.083 0.000 0.749 485 G HN 1.915 nan 8.290 nan 0.000 0.512 486 G N -0.792 108.051 108.800 0.071 0.000 2.442 486 G HA2 0.585 4.545 3.960 -0.000 0.000 0.249 486 G HA3 0.585 4.545 3.960 -0.000 0.000 0.249 486 G C -0.113 174.818 174.900 0.052 0.000 1.263 486 G CA 0.737 45.874 45.100 0.063 0.000 0.846 486 G HN 0.760 nan 8.290 nan 0.000 0.555 487 T N 0.248 114.809 114.554 0.010 0.000 3.011 487 T HA 0.651 5.001 4.350 -0.000 0.000 0.303 487 T C -0.274 174.339 174.700 -0.146 0.000 0.997 487 T CA -0.110 61.966 62.100 -0.040 0.000 1.007 487 T CB 1.661 70.519 68.868 -0.017 0.000 1.017 487 T HN 1.053 nan 8.240 nan 0.000 0.443 488 A N 2.435 125.066 122.820 -0.315 0.000 2.454 488 A HA 0.937 5.256 4.320 -0.000 0.000 0.302 488 A C -1.201 175.836 177.584 -0.912 0.000 1.079 488 A CA -0.772 50.900 52.037 -0.609 0.000 0.731 488 A CB 1.662 20.218 19.000 -0.741 0.000 1.299 488 A HN 0.665 nan 8.150 nan 0.000 0.413 489 V N 1.814 121.175 119.914 -0.922 0.000 2.577 489 V HA 0.531 4.651 4.120 -0.000 0.000 0.303 489 V C -1.236 174.421 176.094 -0.729 0.000 1.042 489 V CA -0.519 61.337 62.300 -0.739 0.000 0.872 489 V CB 1.462 33.075 31.823 -0.350 0.000 0.998 489 V HN 0.825 nan 8.190 nan 0.000 0.423 490 W N 4.021 125.266 121.300 -0.092 0.000 2.736 490 W HA 0.744 5.404 4.660 -0.000 0.000 0.335 490 W C -0.178 176.288 176.519 -0.088 0.000 1.059 490 W CA -0.634 56.663 57.345 -0.081 0.000 1.226 490 W CB 2.008 31.366 29.460 -0.170 0.000 1.416 490 W HN 0.725 nan 8.180 nan 0.000 0.505 491 Q N 1.425 121.352 119.800 0.212 0.000 2.501 491 Q HA 0.693 5.033 4.340 -0.000 0.000 0.288 491 Q C -2.207 173.972 176.000 0.297 0.000 1.051 491 Q CA -1.080 54.817 55.803 0.157 0.000 0.788 491 Q CB 3.498 32.293 28.738 0.096 0.000 1.469 491 Q HN 0.384 nan 8.270 nan 0.000 0.416 492 Y N 0.436 120.800 120.300 0.107 0.000 2.401 492 Y HA 0.565 5.115 4.550 -0.000 0.000 0.330 492 Y C -1.865 174.088 175.900 0.088 0.000 1.071 492 Y CA -0.108 58.084 58.100 0.154 0.000 1.049 492 Y CB 2.343 40.895 38.460 0.154 0.000 1.239 492 Y HN 0.910 nan 8.280 nan 0.000 0.437 493 T N 2.788 116.974 114.554 -0.614 0.000 2.886 493 T HA 1.000 5.350 4.350 -0.000 0.000 0.292 493 T C -0.877 173.421 174.700 -0.670 0.000 1.012 493 T CA -0.264 61.498 62.100 -0.563 0.000 0.982 493 T CB 1.610 70.344 68.868 -0.224 0.000 1.018 493 T HN 1.376 nan 8.240 nan 0.000 0.451 494 A N 1.530 124.047 122.820 -0.504 0.000 2.601 494 A HA 0.917 5.237 4.320 -0.000 0.000 0.291 494 A C -0.284 177.217 177.584 -0.137 0.000 1.075 494 A CA -0.745 51.125 52.037 -0.280 0.000 0.671 494 A CB 0.742 19.608 19.000 -0.223 0.000 1.277 494 A HN 1.752 nan 8.150 nan 0.000 0.417 495 A N 0.712 123.488 122.820 -0.073 0.000 2.520 495 A HA 0.535 4.854 4.320 -0.000 0.000 0.245 495 A C 0.472 178.033 177.584 -0.039 0.000 1.072 495 A CA 0.653 52.661 52.037 -0.048 0.000 0.761 495 A CB -0.577 18.406 19.000 -0.028 0.000 1.004 495 A HN 0.951 nan 8.150 nan 0.000 0.499 496 T N 2.949 117.469 114.554 -0.057 0.000 2.780 496 T HA 0.417 4.767 4.350 -0.000 0.000 0.294 496 T C 1.476 176.148 174.700 -0.048 0.000 0.949 496 T CA 0.244 62.303 62.100 -0.069 0.000 1.074 496 T CB 1.494 70.278 68.868 -0.139 0.000 0.910 496 T HN 0.840 nan 8.240 nan 0.000 0.501 497 A N 3.447 126.252 122.820 -0.025 0.000 1.872 497 A HA 0.101 4.421 4.320 -0.000 0.000 0.214 497 A C 1.620 179.209 177.584 0.007 0.000 1.187 497 A CA 0.975 53.011 52.037 -0.002 0.000 0.614 497 A CB -0.493 18.512 19.000 0.009 0.000 0.826 497 A HN 0.744 nan 8.150 nan 0.000 0.442 498 T N -1.141 113.409 114.554 -0.008 0.000 2.907 498 T HA 0.539 4.889 4.350 -0.000 0.000 0.284 498 T C -3.108 171.599 174.700 0.010 0.000 1.004 498 T CA -2.392 59.717 62.100 0.016 0.000 1.063 498 T CB 1.349 70.224 68.868 0.011 0.000 0.992 498 T HN 0.009 nan 8.240 nan 0.000 0.483 499 P HA 0.277 nan 4.420 nan 0.000 0.267 499 P C -0.812 176.559 177.300 0.117 0.000 1.209 499 P CA -0.050 63.165 63.100 0.191 0.000 0.763 499 P CB 0.265 32.167 31.700 0.336 0.000 0.816 500 T N 4.241 118.814 114.554 0.031 0.000 2.949 500 T HA 0.457 4.807 4.350 -0.000 0.000 0.300 500 T C 0.158 174.973 174.700 0.191 0.000 0.988 500 T CA -0.408 61.684 62.100 -0.013 0.000 0.993 500 T CB 0.569 69.197 68.868 -0.401 0.000 0.984 500 T HN 0.175 nan 8.240 nan 0.000 0.442 501 I N 2.569 123.328 120.570 0.315 0.000 2.352 501 I HA 0.385 4.555 4.170 -0.000 0.000 0.290 501 I C 1.348 177.664 176.117 0.330 0.000 1.036 501 I CA -0.051 61.443 61.300 0.323 0.000 1.336 501 I CB 1.194 39.303 38.000 0.181 0.000 1.407 501 I HN 0.914 nan 8.210 nan 0.000 0.497 502 G N 5.058 113.875 108.800 0.029 0.000 2.833 502 G HA2 0.050 4.010 3.960 -0.000 0.000 0.210 502 G HA3 0.050 4.010 3.960 -0.000 0.000 0.210 502 G C 0.326 174.930 174.900 -0.493 0.000 1.139 502 G CA 0.268 45.092 45.100 -0.460 0.000 0.771 502 G HN 0.632 nan 8.290 nan 0.000 0.535 503 H N -1.080 117.591 119.070 -0.664 0.000 3.094 503 H HA 0.458 5.014 4.556 -0.000 0.000 0.346 503 H C -2.123 172.775 175.328 -0.715 0.000 1.238 503 H CA -0.276 55.411 56.048 -0.601 0.000 1.209 503 H CB 2.340 31.834 29.762 -0.447 0.000 1.911 503 H HN -0.102 nan 8.280 nan 0.000 0.540 504 V N 2.270 121.443 119.914 -1.234 0.000 2.686 504 V HA 0.666 4.786 4.120 -0.000 0.000 0.306 504 V C 0.018 175.853 176.094 -0.432 0.000 1.065 504 V CA -0.265 61.602 62.300 -0.723 0.000 0.894 504 V CB 1.774 33.154 31.823 -0.739 0.000 1.004 504 V HN 0.897 nan 8.190 nan 0.000 0.424 505 G N 4.701 113.446 108.800 -0.092 0.000 2.766 505 G HA2 0.752 4.712 3.960 -0.000 0.000 0.297 505 G HA3 0.752 4.712 3.960 -0.000 0.000 0.297 505 G C -3.406 171.575 174.900 0.134 0.000 1.431 505 G CA -1.133 44.029 45.100 0.103 0.000 1.042 505 G HN 0.476 nan 8.290 nan 0.000 0.542 506 P HA 0.305 nan 4.420 nan 0.000 0.279 506 P C 0.310 177.754 177.300 0.239 0.000 1.276 506 P CA -0.540 62.662 63.100 0.170 0.000 0.801 506 P CB 1.334 33.104 31.700 0.116 0.000 1.127 507 M N -0.655 119.018 119.600 0.121 0.000 2.431 507 M HA 0.295 4.775 4.480 -0.000 0.000 0.237 507 M C 0.458 176.519 176.300 -0.399 0.000 1.130 507 M CA 0.398 55.725 55.300 0.045 0.000 1.002 507 M CB -0.661 31.978 32.600 0.065 0.000 1.524 507 M HN 0.425 nan 8.290 nan 0.000 0.482 508 M N 0.728 120.147 119.600 -0.302 0.000 2.255 508 M HA 0.592 5.072 4.480 -0.000 0.000 0.275 508 M C -2.079 174.114 176.300 -0.179 0.000 1.050 508 M CA -0.203 54.878 55.300 -0.365 0.000 0.978 508 M CB 2.115 34.582 32.600 -0.222 0.000 1.761 508 M HN 0.050 nan 8.290 nan 0.000 0.479 509 A N 3.634 126.363 122.820 -0.151 0.000 2.566 509 A HA 0.628 4.947 4.320 -0.000 0.000 0.290 509 A C -1.876 175.715 177.584 0.012 0.000 1.071 509 A CA -0.967 51.062 52.037 -0.013 0.000 0.658 509 A CB 1.588 20.637 19.000 0.082 0.000 1.285 509 A HN 0.849 nan 8.150 nan 0.000 0.427 510 K N 0.143 120.549 120.400 0.010 0.000 2.090 510 K HA 0.679 4.999 4.320 -0.000 0.000 0.250 510 K C -2.731 173.868 176.600 -0.002 0.000 1.004 510 K CA -1.570 54.718 56.287 0.002 0.000 0.919 510 K CB 0.456 32.950 32.500 -0.009 0.000 1.045 510 K HN 0.258 nan 8.250 nan 0.000 0.471 511 P HA -0.007 nan 4.420 nan 0.000 0.267 511 P C 0.477 177.738 177.300 -0.065 0.000 1.200 511 P CA 1.148 64.199 63.100 -0.082 0.000 0.772 511 P CB 0.663 32.303 31.700 -0.099 0.000 0.855 512 G N 0.391 109.140 108.800 -0.086 0.000 2.258 512 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.233 512 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.233 512 G C 0.142 175.020 174.900 -0.038 0.000 1.006 512 G CA -0.104 44.959 45.100 -0.061 0.000 0.620 512 G HN 0.540 nan 8.290 nan 0.000 0.511 513 V N 2.156 122.060 119.914 -0.018 0.000 2.811 513 V HA 0.474 4.594 4.120 -0.000 0.000 0.302 513 V C 0.992 177.094 176.094 0.012 0.000 1.063 513 V CA 0.716 63.020 62.300 0.006 0.000 1.088 513 V CB 1.482 33.326 31.823 0.035 0.000 0.982 513 V HN 0.325 nan 8.190 nan 0.000 0.485 514 T N 6.268 120.828 114.554 0.009 0.000 2.771 514 T HA 0.548 4.898 4.350 -0.000 0.000 0.291 514 T C -0.081 174.638 174.700 0.032 0.000 0.954 514 T CA -0.028 62.078 62.100 0.009 0.000 1.045 514 T CB 0.330 69.192 68.868 -0.009 0.000 0.917 514 T HN 0.588 nan 8.240 nan 0.000 0.484 515 I N 0.142 120.732 120.570 0.033 0.000 2.750 515 I HA 0.731 4.901 4.170 -0.000 0.000 0.308 515 I C -0.370 175.730 176.117 -0.029 0.000 1.016 515 I CA -0.791 60.527 61.300 0.030 0.000 1.098 515 I CB 2.042 40.062 38.000 0.034 0.000 1.279 515 I HN 0.311 nan 8.210 nan 0.000 0.454 516 T N 5.647 120.182 114.554 -0.031 0.000 2.770 516 T HA 0.582 4.932 4.350 -0.000 0.000 0.283 516 T C -0.195 174.434 174.700 -0.118 0.000 0.988 516 T CA -0.200 61.864 62.100 -0.060 0.000 0.957 516 T CB 0.896 69.760 68.868 -0.006 0.000 0.930 516 T HN 0.379 nan 8.240 nan 0.000 0.443 517 I N 3.698 124.155 120.570 -0.188 0.000 2.354 517 I HA 0.354 4.524 4.170 -0.000 0.000 0.286 517 I C -0.320 175.731 176.117 -0.110 0.000 1.007 517 I CA -0.738 60.409 61.300 -0.255 0.000 1.167 517 I CB 1.168 38.914 38.000 -0.422 0.000 1.320 517 I HN 0.470 nan 8.210 nan 0.000 0.458 518 D N 4.478 124.838 120.400 -0.066 0.000 2.299 518 D HA 0.791 5.431 4.640 -0.000 0.000 0.243 518 D C 0.319 176.584 176.300 -0.060 0.000 0.982 518 D CA -0.020 53.977 54.000 -0.005 0.000 0.924 518 D CB 2.595 43.341 40.800 -0.089 0.000 1.238 518 D HN 0.759 nan 8.370 nan 0.000 0.484 519 G N 0.268 109.001 108.800 -0.111 0.000 2.564 519 G HA2 0.199 4.159 3.960 -0.000 0.000 0.139 519 G HA3 0.199 4.159 3.960 -0.000 0.000 0.139 519 G C -1.326 173.390 174.900 -0.306 0.000 1.147 519 G CA -0.630 44.391 45.100 -0.133 0.000 1.031 519 G HN 0.353 nan 8.290 nan 0.000 0.482 520 R N -0.829 119.337 120.500 -0.556 0.000 2.710 520 R HA 0.587 4.927 4.340 -0.000 0.000 0.270 520 R C 0.441 176.386 176.300 -0.591 0.000 1.021 520 R CA -0.006 55.800 56.100 -0.490 0.000 0.889 520 R CB 1.325 31.551 30.300 -0.123 0.000 1.243 520 R HN 2.339 nan 8.270 nan 0.000 0.464 521 G N 0.973 109.567 108.800 -0.344 0.000 2.147 521 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.244 521 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.244 521 G C 0.221 175.158 174.900 0.061 0.000 1.005 521 G CA 0.249 45.274 45.100 -0.125 0.000 0.713 521 G HN 0.432 nan 8.290 nan 0.000 0.515 522 F N 0.907 120.892 119.950 0.058 0.000 2.456 522 F HA 0.392 4.919 4.527 -0.000 0.000 0.298 522 F C 2.042 178.104 175.800 0.437 0.000 1.104 522 F CA 1.119 59.203 58.000 0.140 0.000 1.435 522 F CB -0.641 38.219 39.000 -0.232 0.000 1.078 522 F HN 1.174 nan 8.300 nan 0.000 0.546 523 G N -0.163 108.902 108.800 0.441 0.000 2.746 523 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.685 523 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.685 523 G C 0.674 175.833 174.900 0.432 0.000 1.350 523 G CA -0.081 45.230 45.100 0.351 0.000 0.837 523 G HN 0.448 nan 8.290 nan 0.000 0.564 524 S N -1.414 114.433 115.700 0.245 0.000 2.503 524 S HA 0.449 4.919 4.470 -0.000 0.000 0.217 524 S C 1.072 175.753 174.600 0.135 0.000 0.999 524 S CA 1.234 59.568 58.200 0.223 0.000 0.914 524 S CB 0.349 63.621 63.200 0.119 0.000 0.782 524 S HN 1.227 nan 8.310 nan 0.000 0.520 525 S N 2.098 117.783 115.700 -0.026 0.000 2.480 525 S HA 0.373 4.843 4.470 -0.000 0.000 0.286 525 S C -0.213 173.943 174.600 -0.740 0.000 1.180 525 S CA -0.734 57.325 58.200 -0.234 0.000 1.075 525 S CB 0.951 64.047 63.200 -0.172 0.000 0.996 525 S HN 0.331 nan 8.310 nan 0.000 0.487 526 K N 1.785 121.744 120.400 -0.735 0.000 2.550 526 K HA 0.068 4.388 4.320 -0.000 0.000 0.280 526 K C 0.821 176.665 176.600 -1.260 0.000 0.987 526 K CA 0.185 55.813 56.287 -1.098 0.000 1.048 526 K CB 0.257 32.507 32.500 -0.417 0.000 0.879 526 K HN 0.765 nan 8.250 nan 0.000 0.491 527 G N 1.734 109.318 108.800 -2.027 0.000 3.341 527 G HA2 0.337 4.297 3.960 -0.000 0.000 0.177 527 G HA3 0.337 4.297 3.960 -0.000 0.000 0.177 527 G C -0.827 173.803 174.900 -0.450 0.000 1.236 527 G CA -0.197 44.276 45.100 -1.045 0.000 0.888 527 G HN 0.504 nan 8.290 nan 0.000 0.644 528 T N -0.317 114.177 114.554 -0.100 0.000 2.900 528 T HA 0.593 4.943 4.350 -0.000 0.000 0.295 528 T C -1.066 173.638 174.700 0.007 0.000 1.044 528 T CA -0.266 61.784 62.100 -0.083 0.000 0.995 528 T CB 2.173 70.916 68.868 -0.209 0.000 1.072 528 T HN 0.324 nan 8.240 nan 0.000 0.473 529 V N 2.629 122.463 119.914 -0.134 0.000 2.555 529 V HA 0.534 4.654 4.120 -0.000 0.000 0.302 529 V C -1.439 174.513 176.094 -0.238 0.000 1.038 529 V CA -0.903 61.331 62.300 -0.111 0.000 0.887 529 V CB 1.327 33.124 31.823 -0.043 0.000 0.991 529 V HN 0.838 nan 8.190 nan 0.000 0.434 530 Y N 3.349 123.609 120.300 -0.065 0.000 2.364 530 Y HA 0.627 5.177 4.550 -0.000 0.000 0.340 530 Y C -0.537 175.288 175.900 -0.126 0.000 0.975 530 Y CA -0.714 57.386 58.100 -0.000 0.000 1.089 530 Y CB 1.830 40.297 38.460 0.011 0.000 1.192 530 Y HN 0.524 nan 8.280 nan 0.000 0.454 531 F N 2.642 122.648 119.950 0.093 0.000 2.307 531 F HA 0.540 5.067 4.527 -0.000 0.000 0.369 531 F C 0.907 176.856 175.800 0.249 0.000 1.076 531 F CA -0.325 57.699 58.000 0.039 0.000 1.149 531 F CB 0.816 39.686 39.000 -0.217 0.000 1.410 531 F HN 0.801 nan 8.300 nan 0.000 0.481 532 G N 2.132 111.193 108.800 0.435 0.000 2.531 532 G HA2 -0.387 3.573 3.960 -0.000 0.000 0.274 532 G HA3 -0.387 3.573 3.960 -0.000 0.000 0.274 532 G C 1.141 176.216 174.900 0.292 0.000 1.159 532 G CA 0.402 45.741 45.100 0.398 0.000 0.969 532 G HN 0.753 nan 8.290 nan 0.000 0.554 533 T N -1.764 112.953 114.554 0.271 0.000 3.100 533 T HA 0.360 4.710 4.350 -0.000 0.000 0.253 533 T C 1.169 176.047 174.700 0.296 0.000 1.118 533 T CA 1.637 63.873 62.100 0.227 0.000 1.058 533 T CB -0.098 68.861 68.868 0.152 0.000 0.953 533 T HN 0.793 nan 8.240 nan 0.000 0.515 534 T N 3.237 117.964 114.554 0.289 0.000 2.834 534 T HA 0.577 4.927 4.350 -0.000 0.000 0.298 534 T C 0.171 174.978 174.700 0.177 0.000 0.966 534 T CA -0.306 61.914 62.100 0.200 0.000 1.141 534 T CB 0.676 69.612 68.868 0.113 0.000 0.905 534 T HN 0.541 nan 8.240 nan 0.000 0.535 535 A N 3.622 126.468 122.820 0.043 0.000 2.301 535 A HA 0.681 5.001 4.320 -0.000 0.000 0.312 535 A C -0.421 177.066 177.584 -0.161 0.000 1.182 535 A CA -0.600 51.305 52.037 -0.221 0.000 0.826 535 A CB 0.681 19.545 19.000 -0.225 0.000 1.134 535 A HN 0.674 nan 8.150 nan 0.000 0.501 536 V N 2.487 122.281 119.914 -0.199 0.000 2.531 536 V HA 0.740 4.860 4.120 -0.000 0.000 0.301 536 V C 0.039 176.065 176.094 -0.114 0.000 1.034 536 V CA 0.042 62.281 62.300 -0.102 0.000 0.865 536 V CB 1.376 33.195 31.823 -0.006 0.000 0.995 536 V HN 1.292 nan 8.190 nan 0.000 0.424 537 S N 2.603 118.248 115.700 -0.091 0.000 2.656 537 S HA 0.970 5.439 4.470 -0.000 0.000 0.273 537 S C 0.091 174.650 174.600 -0.068 0.000 1.168 537 S CA 0.213 58.360 58.200 -0.088 0.000 0.817 537 S CB 1.668 64.795 63.200 -0.121 0.000 1.146 537 S HN 2.248 nan 8.310 nan 0.000 0.475 538 G N 1.407 110.164 108.800 -0.072 0.000 2.509 538 G HA2 0.071 4.031 3.960 -0.000 0.000 0.259 538 G HA3 0.071 4.031 3.960 -0.000 0.000 0.259 538 G C 1.097 175.975 174.900 -0.036 0.000 1.169 538 G CA 1.016 46.081 45.100 -0.058 0.000 0.953 538 G HN 1.983 nan 8.290 nan 0.000 0.563 539 A N -0.871 121.929 122.820 -0.033 0.000 1.940 539 A HA 0.003 4.323 4.320 -0.000 0.000 0.219 539 A C 1.944 179.516 177.584 -0.020 0.000 1.176 539 A CA 2.774 54.797 52.037 -0.024 0.000 0.631 539 A CB -0.640 18.344 19.000 -0.026 0.000 0.814 539 A HN 0.700 nan 8.150 nan 0.000 0.446 540 D N -0.501 119.883 120.400 -0.027 0.000 2.350 540 D HA 0.013 4.653 4.640 -0.000 0.000 0.216 540 D C 0.389 176.685 176.300 -0.007 0.000 0.968 540 D CA 0.521 54.504 54.000 -0.028 0.000 0.894 540 D CB -0.184 40.586 40.800 -0.050 0.000 0.909 540 D HN 0.473 nan 8.370 nan 0.000 0.520 541 I N 1.360 121.938 120.570 0.012 0.000 2.256 541 I HA 0.014 4.184 4.170 -0.000 0.000 0.294 541 I C 1.183 177.330 176.117 0.050 0.000 1.127 541 I CA -0.113 61.219 61.300 0.054 0.000 1.247 541 I CB 0.895 38.961 38.000 0.109 0.000 1.460 541 I HN -0.167 nan 8.210 nan 0.000 0.511 542 T N 2.277 116.849 114.554 0.030 0.000 2.759 542 T HA -0.109 4.241 4.350 -0.000 0.000 0.269 542 T C 0.779 175.504 174.700 0.041 0.000 1.042 542 T CA 1.272 63.385 62.100 0.022 0.000 1.140 542 T CB -0.156 68.715 68.868 0.005 0.000 0.864 542 T HN 0.702 nan 8.240 nan 0.000 0.455 543 S N -0.814 114.925 115.700 0.065 0.000 2.537 543 S HA 0.514 4.984 4.470 -0.000 0.000 0.271 543 S C -2.271 172.429 174.600 0.166 0.000 1.148 543 S CA -1.163 57.094 58.200 0.095 0.000 0.868 543 S CB 1.985 65.215 63.200 0.049 0.000 1.115 543 S HN 0.394 nan 8.310 nan 0.000 0.461 544 W N 3.321 124.610 121.300 -0.018 0.000 2.968 544 W HA 0.592 5.252 4.660 -0.000 0.000 0.337 544 W C -1.204 175.333 176.519 0.031 0.000 1.060 544 W CA -0.420 56.920 57.345 -0.009 0.000 1.240 544 W CB 1.746 31.190 29.460 -0.028 0.000 1.370 544 W HN 1.177 nan 8.180 nan 0.000 0.459 545 E N 1.760 122.030 120.200 0.117 0.000 2.445 545 E HA 0.281 4.631 4.350 -0.000 0.000 0.273 545 E C -0.149 176.536 176.600 0.142 0.000 0.961 545 E CA -0.441 56.067 56.400 0.181 0.000 0.807 545 E CB 1.918 31.674 29.700 0.094 0.000 1.362 545 E HN 0.206 nan 8.360 nan 0.000 0.453 546 D N -0.431 120.056 120.400 0.145 0.000 2.149 546 D HA -0.179 4.461 4.640 -0.000 0.000 0.198 546 D C 1.540 177.786 176.300 -0.090 0.000 0.990 546 D CA 2.567 56.619 54.000 0.087 0.000 0.839 546 D CB 0.217 41.040 40.800 0.039 0.000 0.948 546 D HN 0.573 nan 8.370 nan 0.000 0.460 547 T N -3.637 110.888 114.554 -0.048 0.000 3.022 547 T HA 0.122 4.471 4.350 -0.000 0.000 0.250 547 T C 0.620 175.351 174.700 0.052 0.000 1.060 547 T CA -0.435 61.596 62.100 -0.115 0.000 1.013 547 T CB 0.387 69.222 68.868 -0.054 0.000 0.982 547 T HN 0.112 nan 8.240 nan 0.000 0.508 548 Q N 0.030 119.898 119.800 0.113 0.000 2.345 548 Q HA 0.685 5.025 4.340 -0.000 0.000 0.275 548 Q C -2.089 173.834 176.000 -0.127 0.000 1.063 548 Q CA -0.979 54.852 55.803 0.046 0.000 0.819 548 Q CB 2.150 30.883 28.738 -0.009 0.000 1.356 548 Q HN 0.463 nan 8.270 nan 0.000 0.418 549 I N 2.734 123.148 120.570 -0.260 0.000 2.533 549 I HA 0.439 4.609 4.170 -0.000 0.000 0.290 549 I C -0.898 175.091 176.117 -0.213 0.000 1.056 549 I CA -0.918 60.148 61.300 -0.389 0.000 1.057 549 I CB 2.024 39.534 38.000 -0.816 0.000 1.240 549 I HN 0.312 nan 8.210 nan 0.000 0.423 550 K N 5.669 126.003 120.400 -0.110 0.000 2.394 550 K HA 0.642 4.962 4.320 -0.000 0.000 0.260 550 K C -1.246 175.335 176.600 -0.031 0.000 0.967 550 K CA -0.569 55.681 56.287 -0.062 0.000 0.855 550 K CB 2.714 35.195 32.500 -0.032 0.000 1.101 550 K HN 0.400 nan 8.250 nan 0.000 0.433 551 V N 2.594 122.490 119.914 -0.031 0.000 2.876 551 V HA 0.373 4.493 4.120 -0.000 0.000 0.312 551 V C -1.042 175.059 176.094 0.012 0.000 1.085 551 V CA -0.964 61.339 62.300 0.005 0.000 0.945 551 V CB 2.016 33.858 31.823 0.031 0.000 1.017 551 V HN 0.625 nan 8.190 nan 0.000 0.428 552 K N 5.860 126.251 120.400 -0.015 0.000 2.276 552 K HA 0.474 4.794 4.320 -0.000 0.000 0.283 552 K C -0.422 176.089 176.600 -0.150 0.000 1.044 552 K CA -0.253 56.001 56.287 -0.056 0.000 0.944 552 K CB 1.182 33.643 32.500 -0.065 0.000 1.012 552 K HN 0.598 nan 8.250 nan 0.000 0.472 553 I N 6.182 126.636 120.570 -0.194 0.000 2.668 553 I HA -0.015 4.155 4.170 -0.000 0.000 0.285 553 I C -1.589 174.227 176.117 -0.502 0.000 1.168 553 I CA -1.521 59.478 61.300 -0.502 0.000 1.424 553 I CB 0.100 37.958 38.000 -0.236 0.000 1.377 553 I HN 0.377 nan 8.210 nan 0.000 0.560 554 P HA 0.042 nan 4.420 nan 0.000 0.272 554 P C -0.531 176.572 177.300 -0.329 0.000 1.230 554 P CA -0.521 62.309 63.100 -0.449 0.000 0.788 554 P CB 0.745 32.163 31.700 -0.470 0.000 0.949 555 A N 1.963 124.662 122.820 -0.202 0.000 3.029 555 A HA 0.332 4.652 4.320 -0.000 0.000 0.251 555 A C 0.766 178.284 177.584 -0.110 0.000 1.749 555 A CA -0.375 51.583 52.037 -0.132 0.000 1.386 555 A CB -1.597 17.352 19.000 -0.086 0.000 1.043 555 A HN 0.414 nan 8.150 nan 0.000 0.638 556 V N -2.258 117.564 119.914 -0.155 0.000 2.973 556 V HA 0.840 4.960 4.120 -0.000 0.000 0.314 556 V C 0.695 176.792 176.094 0.006 0.000 1.066 556 V CA -0.830 61.420 62.300 -0.083 0.000 1.021 556 V CB 0.770 32.480 31.823 -0.188 0.000 1.076 556 V HN 0.828 nan 8.190 nan 0.000 0.462 557 A N 1.754 124.637 122.820 0.105 0.000 2.466 557 A HA 0.547 4.867 4.320 -0.000 0.000 0.238 557 A C 1.013 178.713 177.584 0.195 0.000 1.074 557 A CA 0.332 52.444 52.037 0.125 0.000 0.774 557 A CB -0.601 18.475 19.000 0.125 0.000 1.015 557 A HN 2.075 nan 8.150 nan 0.000 0.498 558 G N -0.247 108.630 108.800 0.128 0.000 2.391 558 G HA2 0.558 4.518 3.960 -0.000 0.000 0.234 558 G HA3 0.558 4.518 3.960 -0.000 0.000 0.234 558 G C 0.428 175.440 174.900 0.186 0.000 1.284 558 G CA 0.618 45.801 45.100 0.138 0.000 0.873 558 G HN 1.908 nan 8.290 nan 0.000 0.549 559 G N 0.537 109.480 108.800 0.238 0.000 2.324 559 G HA2 0.300 4.260 3.960 -0.000 0.000 0.293 559 G HA3 0.300 4.260 3.960 -0.000 0.000 0.293 559 G C -1.389 173.599 174.900 0.148 0.000 1.297 559 G CA -0.931 44.238 45.100 0.116 0.000 0.853 559 G HN 0.798 nan 8.290 nan 0.000 0.535 560 N N -0.405 118.260 118.700 -0.059 0.000 2.437 560 N HA 0.683 5.422 4.740 -0.000 0.000 0.259 560 N C -1.394 174.065 175.510 -0.086 0.000 0.983 560 N CA -0.315 52.749 53.050 0.023 0.000 0.937 560 N CB 0.655 39.132 38.487 -0.016 0.000 1.122 560 N HN 0.423 nan 8.380 nan 0.000 0.499 561 Y N 1.131 121.564 120.300 0.222 0.000 2.524 561 Y HA 0.445 4.995 4.550 -0.000 0.000 0.344 561 Y C -0.030 175.987 175.900 0.196 0.000 1.012 561 Y CA -1.072 57.166 58.100 0.231 0.000 1.068 561 Y CB 1.319 39.983 38.460 0.340 0.000 1.249 561 Y HN 0.429 nan 8.280 nan 0.000 0.468 562 N N 2.153 121.010 118.700 0.263 0.000 2.434 562 N HA 0.310 5.050 4.740 -0.000 0.000 0.272 562 N C -0.970 174.595 175.510 0.092 0.000 1.040 562 N CA -0.343 52.800 53.050 0.155 0.000 0.956 562 N CB 0.832 39.373 38.487 0.090 0.000 1.108 562 N HN 0.395 nan 8.380 nan 0.000 0.481 563 I N 1.624 122.209 120.570 0.024 0.000 2.365 563 I HA 0.309 4.479 4.170 -0.000 0.000 0.291 563 I C 0.597 176.678 176.117 -0.060 0.000 1.004 563 I CA -0.190 61.011 61.300 -0.165 0.000 1.311 563 I CB 0.402 38.219 38.000 -0.304 0.000 1.401 563 I HN 0.386 nan 8.210 nan 0.000 0.491 564 K N 5.509 125.874 120.400 -0.058 0.000 2.512 564 K HA 0.766 5.086 4.320 -0.000 0.000 0.263 564 K C -1.564 175.093 176.600 0.095 0.000 0.966 564 K CA -0.581 55.723 56.287 0.028 0.000 0.851 564 K CB 2.863 35.374 32.500 0.019 0.000 1.395 564 K HN 0.398 nan 8.250 nan 0.000 0.440 565 V N -1.496 118.479 119.914 0.101 0.000 3.130 565 V HA 0.990 5.110 4.120 -0.000 0.000 0.310 565 V C -1.553 174.688 176.094 0.243 0.000 1.158 565 V CA -0.690 61.694 62.300 0.140 0.000 1.029 565 V CB 1.612 33.358 31.823 -0.128 0.000 1.057 565 V HN 0.933 nan 8.190 nan 0.000 0.436 566 A N 2.276 125.290 122.820 0.323 0.000 2.422 566 A HA 0.842 5.162 4.320 -0.000 0.000 0.302 566 A C -0.400 177.356 177.584 0.288 0.000 1.041 566 A CA -0.586 51.620 52.037 0.281 0.000 0.708 566 A CB 1.337 20.509 19.000 0.286 0.000 1.257 566 A HN 1.457 nan 8.150 nan 0.000 0.414 567 N N 1.381 120.230 118.700 0.248 0.000 2.327 567 N HA 0.397 5.137 4.740 -0.000 0.000 0.257 567 N C 1.188 176.692 175.510 -0.009 0.000 1.281 567 N CA 0.127 53.296 53.050 0.199 0.000 0.942 567 N CB 0.269 38.895 38.487 0.232 0.000 1.199 567 N HN 0.713 nan 8.380 nan 0.000 0.532 568 A N -0.549 122.204 122.820 -0.112 0.000 1.978 568 A HA -0.058 4.262 4.320 -0.000 0.000 0.220 568 A C 2.085 179.632 177.584 -0.063 0.000 1.170 568 A CA 2.202 54.148 52.037 -0.152 0.000 0.636 568 A CB -1.472 17.427 19.000 -0.168 0.000 0.810 568 A HN 0.882 nan 8.150 nan 0.000 0.448 569 A N -2.130 120.681 122.820 -0.015 0.000 2.119 569 A HA 0.375 4.694 4.320 -0.000 0.000 0.217 569 A C 1.867 179.461 177.584 0.017 0.000 1.153 569 A CA 1.414 53.452 52.037 0.003 0.000 0.692 569 A CB -0.765 18.245 19.000 0.018 0.000 0.799 569 A HN 1.933 nan 8.150 nan 0.000 0.458 570 G N -2.034 106.785 108.800 0.032 0.000 2.148 570 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.203 570 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.203 570 G C 0.237 175.179 174.900 0.070 0.000 0.993 570 G CA 0.184 45.317 45.100 0.054 0.000 0.661 570 G HN 0.538 nan 8.290 nan 0.000 0.518 571 T N 1.752 116.353 114.554 0.077 0.000 2.761 571 T HA 0.611 4.961 4.350 -0.000 0.000 0.296 571 T C 0.786 175.549 174.700 0.103 0.000 0.934 571 T CA 0.638 62.784 62.100 0.078 0.000 1.091 571 T CB 1.400 70.313 68.868 0.074 0.000 0.896 571 T HN 1.244 nan 8.240 nan 0.000 0.515 572 A N 3.760 126.625 122.820 0.075 0.000 2.371 572 A HA 0.624 4.944 4.320 -0.000 0.000 0.257 572 A C 0.883 178.514 177.584 0.079 0.000 1.089 572 A CA -0.670 51.410 52.037 0.073 0.000 0.794 572 A CB 0.282 19.286 19.000 0.008 0.000 1.029 572 A HN 0.864 nan 8.150 nan 0.000 0.488 573 S N 1.771 117.529 115.700 0.096 0.000 2.690 573 S HA 0.441 4.911 4.470 -0.000 0.000 0.285 573 S C 0.180 174.822 174.600 0.070 0.000 1.135 573 S CA -0.569 57.693 58.200 0.103 0.000 1.020 573 S CB 0.351 63.647 63.200 0.160 0.000 1.159 573 S HN 0.925 nan 8.310 nan 0.000 0.534 574 N N -0.161 118.588 118.700 0.082 0.000 2.424 574 N HA 0.215 4.955 4.740 -0.000 0.000 0.257 574 N C -0.680 174.882 175.510 0.087 0.000 1.250 574 N CA -0.519 52.576 53.050 0.074 0.000 0.946 574 N CB 0.297 38.838 38.487 0.090 0.000 1.175 574 N HN 0.432 nan 8.380 nan 0.000 0.477 575 V N 1.093 121.047 119.914 0.066 0.000 2.465 575 V HA 0.098 4.217 4.120 -0.000 0.000 0.279 575 V C -0.790 175.364 176.094 0.099 0.000 1.045 575 V CA -0.579 61.761 62.300 0.067 0.000 0.938 575 V CB -0.049 31.793 31.823 0.030 0.000 0.986 575 V HN 0.624 nan 8.190 nan 0.000 0.467 576 Y N 5.623 125.918 120.300 -0.007 0.000 2.593 576 Y HA 0.345 4.895 4.550 -0.000 0.000 0.331 576 Y C 0.538 176.445 175.900 0.012 0.000 0.986 576 Y CA -1.235 56.862 58.100 -0.005 0.000 1.262 576 Y CB 0.421 38.857 38.460 -0.040 0.000 1.098 576 Y HN 0.865 nan 8.280 nan 0.000 0.506 577 D N 2.344 122.722 120.400 -0.037 0.000 2.433 577 D HA 0.058 4.698 4.640 -0.000 0.000 0.255 577 D C 0.207 176.554 176.300 0.077 0.000 1.226 577 D CA -0.191 53.830 54.000 0.034 0.000 1.015 577 D CB 0.519 41.311 40.800 -0.013 0.000 1.091 577 D HN 0.729 nan 8.370 nan 0.000 0.527 578 N N -2.315 116.444 118.700 0.098 0.000 2.829 578 N HA -0.222 4.518 4.740 -0.000 0.000 0.250 578 N C -1.078 174.529 175.510 0.162 0.000 1.090 578 N CA -0.173 52.933 53.050 0.095 0.000 0.781 578 N CB -1.204 37.305 38.487 0.037 0.000 1.124 578 N HN 0.386 nan 8.380 nan 0.000 0.559 579 F N 2.504 122.533 119.950 0.132 0.000 2.445 579 F HA 0.272 4.799 4.527 -0.000 0.000 0.359 579 F C 0.567 176.487 175.800 0.201 0.000 1.101 579 F CA -0.002 58.096 58.000 0.163 0.000 1.177 579 F CB 0.722 39.826 39.000 0.173 0.000 1.110 579 F HN -0.004 nan 8.300 nan 0.000 0.522 580 E N 5.701 125.527 120.200 -0.623 0.000 2.081 580 E HA 0.316 4.666 4.350 -0.000 0.000 0.276 580 E C -1.355 175.007 176.600 -0.396 0.000 0.950 580 E CA -0.620 55.581 56.400 -0.333 0.000 0.776 580 E CB 1.213 30.784 29.700 -0.215 0.000 1.094 580 E HN 0.459 nan 8.360 nan 0.000 0.402 581 V N 6.672 126.611 119.914 0.042 0.000 2.385 581 V HA 0.180 4.300 4.120 -0.000 0.000 0.269 581 V C 0.560 176.686 176.094 0.054 0.000 1.043 581 V CA -0.391 61.975 62.300 0.111 0.000 0.906 581 V CB 0.800 32.740 31.823 0.196 0.000 0.995 581 V HN 0.678 nan 8.190 nan 0.000 0.467 582 L N 3.599 124.822 121.223 -0.001 0.000 2.464 582 L HA 0.199 4.539 4.340 -0.000 0.000 0.264 582 L C 1.495 178.372 176.870 0.011 0.000 1.199 582 L CA 0.036 54.873 54.840 -0.006 0.000 0.818 582 L CB 0.916 42.959 42.059 -0.027 0.000 1.102 582 L HN 0.620 nan 8.230 nan 0.000 0.473 583 S N 0.398 116.103 115.700 0.009 0.000 2.607 583 S HA 0.234 4.704 4.470 -0.000 0.000 0.224 583 S C 0.496 175.096 174.600 0.001 0.000 0.969 583 S CA 0.524 58.730 58.200 0.010 0.000 0.927 583 S CB 0.021 63.225 63.200 0.008 0.000 0.772 583 S HN 0.948 nan 8.310 nan 0.000 0.533 584 G N 0.721 109.519 108.800 -0.004 0.000 2.320 584 G HA2 0.055 4.015 3.960 -0.000 0.000 0.274 584 G HA3 0.055 4.015 3.960 -0.000 0.000 0.274 584 G C -2.154 172.740 174.900 -0.010 0.000 1.324 584 G CA -1.049 44.047 45.100 -0.007 0.000 0.957 584 G HN 0.078 nan 8.290 nan 0.000 0.481 585 D N 1.115 121.510 120.400 -0.009 0.000 2.478 585 D HA 0.325 4.965 4.640 -0.000 0.000 0.234 585 D C 0.365 176.660 176.300 -0.008 0.000 1.154 585 D CA 0.635 54.627 54.000 -0.013 0.000 0.874 585 D CB 0.611 41.405 40.800 -0.010 0.000 1.198 585 D HN 0.346 nan 8.370 nan 0.000 0.455 586 Q N 0.243 120.033 119.800 -0.018 0.000 2.301 586 Q HA 0.619 4.959 4.340 -0.000 0.000 0.267 586 Q C -0.316 175.691 176.000 0.012 0.000 1.035 586 Q CA -1.006 54.795 55.803 -0.003 0.000 0.856 586 Q CB 2.306 31.029 28.738 -0.025 0.000 1.337 586 Q HN 0.335 nan 8.270 nan 0.000 0.450 587 V N -2.347 117.600 119.914 0.054 0.000 2.925 587 V HA 0.647 4.767 4.120 -0.000 0.000 0.311 587 V C -0.391 175.782 176.094 0.132 0.000 1.104 587 V CA -0.938 61.415 62.300 0.089 0.000 0.954 587 V CB 2.011 33.898 31.823 0.106 0.000 1.022 587 V HN 0.669 nan 8.190 nan 0.000 0.427 588 S N 1.826 117.631 115.700 0.175 0.000 2.452 588 S HA 0.720 5.190 4.470 -0.000 0.000 0.284 588 S C -0.568 174.162 174.600 0.216 0.000 1.171 588 S CA -0.305 58.039 58.200 0.239 0.000 1.064 588 S CB 0.596 64.045 63.200 0.415 0.000 0.967 588 S HN 0.840 nan 8.310 nan 0.000 0.484 589 V N 6.250 126.282 119.914 0.197 0.000 2.540 589 V HA 0.510 4.630 4.120 -0.000 0.000 0.302 589 V C 0.100 176.212 176.094 0.030 0.000 1.035 589 V CA -0.975 61.354 62.300 0.049 0.000 0.873 589 V CB 1.851 33.633 31.823 -0.067 0.000 0.992 589 V HN 0.836 nan 8.190 nan 0.000 0.428 590 R N 3.821 124.283 120.500 -0.064 0.000 2.202 590 R HA 0.461 4.801 4.340 -0.000 0.000 0.334 590 R C -1.505 174.699 176.300 -0.160 0.000 1.036 590 R CA -0.296 55.822 56.100 0.031 0.000 0.878 590 R CB 0.398 30.763 30.300 0.108 0.000 1.067 590 R HN 0.489 nan 8.270 nan 0.000 0.457 591 F N 4.102 124.052 119.950 0.001 0.000 2.410 591 F HA 0.347 4.874 4.527 -0.000 0.000 0.349 591 F C -0.145 175.661 175.800 0.009 0.000 1.117 591 F CA -0.529 57.456 58.000 -0.026 0.000 1.104 591 F CB 1.860 40.871 39.000 0.020 0.000 1.122 591 F HN 0.113 nan 8.300 nan 0.000 0.483 592 V N 4.610 124.546 119.914 0.036 0.000 2.483 592 V HA 0.494 4.614 4.120 -0.000 0.000 0.297 592 V C -0.943 175.035 176.094 -0.192 0.000 1.027 592 V CA -0.890 61.313 62.300 -0.161 0.000 0.855 592 V CB 1.906 33.451 31.823 -0.462 0.000 0.995 592 V HN 0.518 nan 8.190 nan 0.000 0.424 593 V N 5.932 125.671 119.914 -0.292 0.000 2.487 593 V HA 0.605 4.724 4.120 -0.000 0.000 0.298 593 V C -0.503 175.522 176.094 -0.114 0.000 1.028 593 V CA -0.423 61.667 62.300 -0.350 0.000 0.860 593 V CB 1.828 33.094 31.823 -0.930 0.000 0.991 593 V HN 0.935 nan 8.190 nan 0.000 0.427 594 N N 5.189 123.865 118.700 -0.039 0.000 2.487 594 N HA 0.397 5.137 4.740 -0.000 0.000 0.292 594 N C -0.356 175.185 175.510 0.052 0.000 1.108 594 N CA -0.387 52.668 53.050 0.008 0.000 0.956 594 N CB 0.985 39.474 38.487 0.005 0.000 1.176 594 N HN 0.759 nan 8.380 nan 0.000 0.484 595 N N -0.491 118.207 118.700 -0.002 0.000 2.746 595 N HA -0.170 4.570 4.740 -0.000 0.000 0.250 595 N C -1.066 174.376 175.510 -0.113 0.000 1.055 595 N CA 0.461 53.483 53.050 -0.046 0.000 0.699 595 N CB -1.187 37.312 38.487 0.019 0.000 0.919 595 N HN 0.711 nan 8.380 nan 0.000 0.548 596 A N 0.389 123.101 122.820 -0.179 0.000 2.838 596 A HA 0.447 4.767 4.320 -0.000 0.000 0.337 596 A C 0.849 178.224 177.584 -0.349 0.000 1.383 596 A CA -0.188 51.547 52.037 -0.505 0.000 0.985 596 A CB -0.004 18.661 19.000 -0.559 0.000 1.157 596 A HN 0.309 nan 8.150 nan 0.000 0.497 597 T N 0.484 114.836 114.554 -0.338 0.000 2.901 597 T HA 0.513 4.862 4.350 -0.000 0.000 0.301 597 T C 0.401 175.113 174.700 0.019 0.000 1.012 597 T CA 0.419 62.481 62.100 -0.063 0.000 1.135 597 T CB 0.630 69.479 68.868 -0.031 0.000 0.936 597 T HN 0.880 nan 8.240 nan 0.000 0.539 598 T N -0.651 114.097 114.554 0.324 0.000 2.838 598 T HA 0.794 5.144 4.350 -0.000 0.000 0.292 598 T C -0.456 174.330 174.700 0.144 0.000 1.113 598 T CA -0.908 61.297 62.100 0.175 0.000 1.008 598 T CB 1.483 70.488 68.868 0.228 0.000 1.259 598 T HN 1.072 nan 8.240 nan 0.000 0.520 599 A N 0.809 123.674 122.820 0.075 0.000 2.311 599 A HA 0.750 5.070 4.320 -0.000 0.000 0.334 599 A C 0.100 177.703 177.584 0.032 0.000 1.139 599 A CA -1.051 51.011 52.037 0.041 0.000 0.830 599 A CB 0.384 19.403 19.000 0.032 0.000 1.234 599 A HN 0.953 nan 8.150 nan 0.000 0.483 600 L N 1.454 122.679 121.223 0.003 0.000 2.628 600 L HA 0.223 4.562 4.340 -0.000 0.000 0.274 600 L C 1.523 178.409 176.870 0.026 0.000 1.209 600 L CA 1.692 56.531 54.840 -0.001 0.000 0.930 600 L CB -0.165 41.886 42.059 -0.014 0.000 1.183 600 L HN 1.286 nan 8.230 nan 0.000 0.492 601 G N 2.324 111.150 108.800 0.043 0.000 2.254 601 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.225 601 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.225 601 G C 0.238 175.185 174.900 0.079 0.000 1.003 601 G CA -0.086 45.048 45.100 0.057 0.000 0.622 601 G HN 0.559 nan 8.290 nan 0.000 0.507 602 Q N 1.065 120.913 119.800 0.080 0.000 2.267 602 Q HA 0.540 4.880 4.340 -0.000 0.000 0.255 602 Q C -0.477 175.579 176.000 0.093 0.000 0.923 602 Q CA -0.452 55.397 55.803 0.077 0.000 0.925 602 Q CB 0.387 29.152 28.738 0.046 0.000 1.195 602 Q HN 0.460 nan 8.270 nan 0.000 0.417 603 N N 1.712 120.442 118.700 0.050 0.000 2.312 603 N HA 0.404 5.144 4.740 -0.000 0.000 0.296 603 N C -1.381 173.889 175.510 -0.400 0.000 1.193 603 N CA -0.485 52.481 53.050 -0.139 0.000 0.773 603 N CB 2.116 40.536 38.487 -0.112 0.000 1.435 603 N HN 0.270 nan 8.380 nan 0.000 0.484 604 V N 2.061 121.379 119.914 -0.994 0.000 2.481 604 V HA 0.416 4.536 4.120 -0.000 0.000 0.286 604 V C -0.888 174.911 176.094 -0.490 0.000 1.042 604 V CA -0.191 61.655 62.300 -0.757 0.000 0.928 604 V CB 0.300 31.316 31.823 -1.346 0.000 0.986 604 V HN 0.525 nan 8.190 nan 0.000 0.462 605 Y N 3.601 123.824 120.300 -0.128 0.000 2.662 605 Y HA 0.750 5.300 4.550 -0.000 0.000 0.335 605 Y C -0.324 175.621 175.900 0.075 0.000 1.066 605 Y CA -1.269 56.786 58.100 -0.076 0.000 1.116 605 Y CB 1.639 40.022 38.460 -0.128 0.000 1.308 605 Y HN 0.488 nan 8.280 nan 0.000 0.502 606 L N 0.765 122.068 121.223 0.135 0.000 2.362 606 L HA 0.764 5.104 4.340 -0.000 0.000 0.275 606 L C -0.566 176.200 176.870 -0.173 0.000 0.998 606 L CA -0.011 54.774 54.840 -0.093 0.000 0.820 606 L CB 1.826 43.753 42.059 -0.220 0.000 1.270 606 L HN 0.671 nan 8.230 nan 0.000 0.415 607 T N 3.009 117.438 114.554 -0.208 0.000 2.893 607 T HA 0.922 5.272 4.350 -0.000 0.000 0.291 607 T C -0.492 174.033 174.700 -0.292 0.000 1.028 607 T CA 0.036 62.039 62.100 -0.163 0.000 0.995 607 T CB 1.353 70.214 68.868 -0.012 0.000 1.051 607 T HN 0.989 nan 8.240 nan 0.000 0.470 608 G N 0.501 108.944 108.800 -0.596 0.000 2.687 608 G HA2 0.462 4.422 3.960 -0.000 0.000 0.291 608 G HA3 0.462 4.422 3.960 -0.000 0.000 0.291 608 G C 0.387 174.419 174.900 -1.446 0.000 1.420 608 G CA -0.071 44.449 45.100 -0.968 0.000 0.796 608 G HN 0.905 nan 8.290 nan 0.000 0.485 609 S N -1.502 113.570 115.700 -1.046 0.000 2.754 609 S HA 0.318 4.788 4.470 -0.000 0.000 0.223 609 S C 0.637 175.078 174.600 -0.265 0.000 0.951 609 S CA 0.468 58.316 58.200 -0.587 0.000 0.954 609 S CB -0.943 62.271 63.200 0.024 0.000 0.780 609 S HN 1.702 nan 8.310 nan 0.000 0.509 610 V N -2.212 117.538 119.914 -0.274 0.000 3.007 610 V HA 0.651 4.771 4.120 -0.000 0.000 0.311 610 V C 1.076 177.094 176.094 -0.127 0.000 1.120 610 V CA -0.412 61.810 62.300 -0.131 0.000 0.980 610 V CB 1.137 32.919 31.823 -0.069 0.000 1.033 610 V HN 0.201 nan 8.190 nan 0.000 0.429 611 S N 0.601 116.263 115.700 -0.062 0.000 2.402 611 S HA -0.225 4.245 4.470 -0.000 0.000 0.233 611 S C 1.308 175.877 174.600 -0.052 0.000 1.030 611 S CA 1.834 60.008 58.200 -0.045 0.000 1.003 611 S CB -0.658 62.542 63.200 0.000 0.000 0.813 611 S HN 0.926 nan 8.310 nan 0.000 0.477 612 E N 1.147 121.320 120.200 -0.046 0.000 2.267 612 E HA 0.079 4.429 4.350 -0.000 0.000 0.197 612 E C 1.408 177.968 176.600 -0.067 0.000 0.998 612 E CA 0.825 57.204 56.400 -0.035 0.000 0.830 612 E CB -0.251 29.444 29.700 -0.008 0.000 0.751 612 E HN 0.577 nan 8.360 nan 0.000 0.491 613 L N -1.610 119.539 121.223 -0.123 0.000 2.857 613 L HA 0.322 4.662 4.340 -0.000 0.000 0.249 613 L C 0.972 177.736 176.870 -0.176 0.000 1.172 613 L CA 0.262 54.992 54.840 -0.184 0.000 0.980 613 L CB 0.438 42.330 42.059 -0.278 0.000 1.299 613 L HN 0.304 nan 8.230 nan 0.000 0.535 614 G N 0.353 109.078 108.800 -0.126 0.000 2.157 614 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.248 614 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.248 614 G C 0.419 175.266 174.900 -0.089 0.000 0.979 614 G CA 0.083 45.131 45.100 -0.087 0.000 0.650 614 G HN 0.414 nan 8.290 nan 0.000 0.529 615 N N -1.052 117.536 118.700 -0.187 0.000 2.714 615 N HA -0.238 4.502 4.740 -0.000 0.000 0.252 615 N C 0.954 176.451 175.510 -0.022 0.000 1.014 615 N CA 1.932 54.862 53.050 -0.200 0.000 0.735 615 N CB -1.650 36.813 38.487 -0.040 0.000 0.924 615 N HN 1.311 nan 8.380 nan 0.000 0.540 616 W N -3.201 118.162 121.300 0.105 0.000 2.062 616 W HA -0.261 4.399 4.660 -0.000 0.000 0.257 616 W C 0.329 176.980 176.519 0.219 0.000 1.024 616 W CA 0.319 57.788 57.345 0.208 0.000 0.471 616 W CB -1.409 28.156 29.460 0.174 0.000 2.039 616 W HN 0.257 nan 8.180 nan 0.000 1.321 617 D N 0.466 121.018 120.400 0.253 0.000 2.365 617 D HA 0.191 4.831 4.640 -0.000 0.000 0.237 617 D C -0.979 175.365 176.300 0.073 0.000 1.190 617 D CA -2.072 52.030 54.000 0.169 0.000 0.867 617 D CB 1.221 42.072 40.800 0.086 0.000 1.050 617 D HN -0.204 nan 8.370 nan 0.000 0.491 618 P HA -0.147 nan 4.420 nan 0.000 0.217 618 P C 0.961 178.172 177.300 -0.149 0.000 1.148 618 P CA 1.347 64.371 63.100 -0.126 0.000 0.828 618 P CB 0.203 31.821 31.700 -0.136 0.000 0.783 619 A N -0.782 121.995 122.820 -0.072 0.000 2.019 619 A HA -0.168 4.152 4.320 -0.000 0.000 0.219 619 A C 1.845 179.390 177.584 -0.064 0.000 1.164 619 A CA 1.635 53.629 52.037 -0.072 0.000 0.644 619 A CB -0.835 18.147 19.000 -0.030 0.000 0.805 619 A HN 0.160 nan 8.150 nan 0.000 0.449 620 K N -0.395 119.976 120.400 -0.049 0.000 2.399 620 K HA 0.453 4.773 4.320 -0.000 0.000 0.204 620 K C 0.463 177.035 176.600 -0.047 0.000 1.023 620 K CA 0.310 56.575 56.287 -0.036 0.000 1.127 620 K CB 0.498 32.984 32.500 -0.023 0.000 0.856 620 K HN 0.431 nan 8.250 nan 0.000 0.514 621 A N 0.939 123.708 122.820 -0.085 0.000 2.492 621 A HA 0.125 4.445 4.320 -0.000 0.000 0.236 621 A C 0.020 177.619 177.584 0.025 0.000 1.078 621 A CA 0.076 52.068 52.037 -0.074 0.000 0.773 621 A CB 0.137 19.032 19.000 -0.174 0.000 1.023 621 A HN 0.221 nan 8.150 nan 0.000 0.504 622 I N 1.658 122.247 120.570 0.031 0.000 2.315 622 I HA 0.552 4.722 4.170 -0.000 0.000 0.291 622 I C 0.872 176.975 176.117 -0.023 0.000 1.006 622 I CA 0.933 62.254 61.300 0.034 0.000 1.265 622 I CB 0.227 38.220 38.000 -0.011 0.000 1.387 622 I HN 0.997 nan 8.210 nan 0.000 0.475 623 G N 8.374 117.092 108.800 -0.136 0.000 2.339 623 G HA2 0.098 4.058 3.960 -0.000 0.000 0.275 623 G HA3 0.098 4.058 3.960 -0.000 0.000 0.275 623 G C -3.196 171.526 174.900 -0.297 0.000 1.323 623 G CA -0.752 44.011 45.100 -0.561 0.000 0.927 623 G HN 0.347 nan 8.290 nan 0.000 0.486 624 P HA 0.429 nan 4.420 nan 0.000 0.272 624 P C 0.164 177.017 177.300 -0.745 0.000 1.230 624 P CA -0.075 62.469 63.100 -0.926 0.000 0.788 624 P CB 0.369 31.737 31.700 -0.554 0.000 0.949 625 M N 0.801 120.063 119.600 -0.564 0.000 2.197 625 M HA 0.243 4.723 4.480 -0.000 0.000 0.305 625 M C 0.002 176.315 176.300 0.022 0.000 1.162 625 M CA -0.083 54.965 55.300 -0.420 0.000 1.099 625 M CB 0.135 32.697 32.600 -0.063 0.000 1.430 625 M HN 0.241 nan 8.290 nan 0.000 0.481 626 Y N 1.093 121.321 120.300 -0.119 0.000 2.403 626 Y HA 0.290 4.840 4.550 -0.000 0.000 0.323 626 Y C 0.507 176.259 175.900 -0.247 0.000 1.226 626 Y CA -1.533 56.381 58.100 -0.309 0.000 1.235 626 Y CB 0.478 38.521 38.460 -0.695 0.000 1.248 626 Y HN 0.700 nan 8.280 nan 0.000 0.489 627 N N -1.639 117.048 118.700 -0.022 0.000 2.361 627 N HA 0.106 4.846 4.740 -0.000 0.000 0.253 627 N C -0.469 175.017 175.510 -0.040 0.000 1.413 627 N CA -0.161 52.804 53.050 -0.143 0.000 0.821 627 N CB -0.071 37.861 38.487 -0.924 0.000 1.380 627 N HN 0.641 nan 8.380 nan 0.000 0.493 628 Q N -0.626 119.226 119.800 0.087 0.000 2.644 628 Q HA 0.322 4.662 4.340 -0.000 0.000 0.220 628 Q C 1.103 177.094 176.000 -0.014 0.000 0.866 628 Q CA 0.340 56.140 55.803 -0.005 0.000 0.915 628 Q CB 0.555 29.258 28.738 -0.058 0.000 1.191 628 Q HN 0.070 nan 8.270 nan 0.000 0.641 629 V N 0.889 120.813 119.914 0.017 0.000 2.261 629 V HA -0.138 3.982 4.120 -0.000 0.000 0.235 629 V C 2.167 178.076 176.094 -0.308 0.000 1.044 629 V CA 1.416 63.652 62.300 -0.106 0.000 1.007 629 V CB -0.542 31.246 31.823 -0.059 0.000 0.647 629 V HN 0.132 nan 8.190 nan 0.000 0.462 630 V N -1.659 117.880 119.914 -0.625 0.000 2.515 630 V HA -0.095 4.025 4.120 -0.000 0.000 0.250 630 V C 0.580 176.036 176.094 -1.062 0.000 1.058 630 V CA 1.436 63.161 62.300 -0.957 0.000 1.064 630 V CB -0.862 30.188 31.823 -1.288 0.000 0.675 630 V HN 0.528 nan 8.190 nan 0.000 0.461 631 Y N -1.816 118.063 120.300 -0.702 0.000 2.571 631 Y HA 0.661 5.211 4.550 -0.000 0.000 0.341 631 Y C -0.388 175.424 175.900 -0.147 0.000 1.076 631 Y CA -1.301 56.602 58.100 -0.328 0.000 1.029 631 Y CB 1.721 40.034 38.460 -0.245 0.000 1.308 631 Y HN -0.073 nan 8.280 nan 0.000 0.461 632 Q N 0.835 120.664 119.800 0.047 0.000 2.309 632 Q HA 0.325 4.665 4.340 -0.000 0.000 0.264 632 Q C -1.317 174.672 176.000 -0.019 0.000 1.008 632 Q CA -0.956 54.848 55.803 0.002 0.000 0.853 632 Q CB 1.540 30.268 28.738 -0.016 0.000 1.314 632 Q HN 0.564 nan 8.270 nan 0.000 0.448 633 Y N 4.191 124.354 120.300 -0.228 0.000 2.788 633 Y HA 0.046 4.596 4.550 -0.000 0.000 0.341 633 Y C -1.284 174.554 175.900 -0.103 0.000 1.258 633 Y CA -1.026 56.900 58.100 -0.290 0.000 1.503 633 Y CB 0.653 38.893 38.460 -0.367 0.000 1.325 633 Y HN 0.585 nan 8.280 nan 0.000 0.614 634 P HA 0.007 nan 4.420 nan 0.000 0.256 634 P C -1.014 176.089 177.300 -0.328 0.000 1.335 634 P CA 0.421 62.825 63.100 -1.159 0.000 0.808 634 P CB -0.074 31.123 31.700 -0.839 0.000 1.305 635 N N 0.541 119.127 118.700 -0.190 0.000 2.455 635 N HA 0.201 4.941 4.740 -0.000 0.000 0.280 635 N C -0.672 174.829 175.510 -0.015 0.000 1.055 635 N CA 0.012 53.058 53.050 -0.006 0.000 0.961 635 N CB 0.471 38.971 38.487 0.021 0.000 1.121 635 N HN 0.031 nan 8.380 nan 0.000 0.476 636 W N 1.913 123.181 121.300 -0.053 0.000 2.761 636 W HA 0.457 5.117 4.660 -0.000 0.000 0.340 636 W C -0.285 176.261 176.519 0.045 0.000 1.072 636 W CA -0.700 56.662 57.345 0.028 0.000 1.215 636 W CB 0.601 30.016 29.460 -0.075 0.000 1.420 636 W HN 0.415 nan 8.180 nan 0.000 0.519 637 Y N -0.041 120.362 120.300 0.171 0.000 2.588 637 Y HA 0.817 5.367 4.550 -0.000 0.000 0.343 637 Y C -1.981 174.084 175.900 0.274 0.000 1.065 637 Y CA -2.683 55.484 58.100 0.112 0.000 1.038 637 Y CB 1.600 40.092 38.460 0.054 0.000 1.297 637 Y HN 0.476 nan 8.280 nan 0.000 0.467 638 Y N 0.644 120.978 120.300 0.057 0.000 2.522 638 Y HA 0.332 4.882 4.550 -0.000 0.000 0.326 638 Y C -2.007 174.001 175.900 0.180 0.000 1.198 638 Y CA -1.487 56.583 58.100 -0.049 0.000 1.112 638 Y CB 1.682 40.053 38.460 -0.148 0.000 1.342 638 Y HN 0.801 nan 8.280 nan 0.000 0.460 639 D N 4.013 124.310 120.400 -0.171 0.000 2.274 639 D HA 0.563 5.202 4.640 -0.000 0.000 0.239 639 D C -0.844 175.492 176.300 0.060 0.000 1.104 639 D CA 0.018 54.056 54.000 0.063 0.000 0.840 639 D CB 1.920 42.810 40.800 0.149 0.000 1.100 639 D HN 0.210 nan 8.370 nan 0.000 0.477 640 V N 1.012 121.077 119.914 0.252 0.000 2.769 640 V HA 0.385 4.505 4.120 -0.000 0.000 0.312 640 V C 0.301 176.532 176.094 0.228 0.000 1.061 640 V CA -0.915 61.526 62.300 0.235 0.000 0.931 640 V CB 2.146 34.095 31.823 0.211 0.000 1.010 640 V HN 0.467 nan 8.190 nan 0.000 0.433 641 S N 2.777 118.569 115.700 0.153 0.000 2.465 641 S HA 0.677 5.147 4.470 -0.000 0.000 0.279 641 S C -0.496 174.173 174.600 0.115 0.000 1.201 641 S CA -0.403 57.865 58.200 0.113 0.000 1.053 641 S CB 0.533 63.762 63.200 0.048 0.000 0.953 641 S HN 1.032 nan 8.310 nan 0.000 0.488 642 V N 2.737 122.735 119.914 0.140 0.000 3.102 642 V HA 0.815 4.935 4.120 -0.000 0.000 0.312 642 V C -2.911 173.236 176.094 0.088 0.000 1.135 642 V CA -2.913 59.469 62.300 0.137 0.000 1.022 642 V CB 1.667 33.651 31.823 0.268 0.000 1.056 642 V HN 0.643 nan 8.190 nan 0.000 0.436 643 P HA 0.276 nan 4.420 nan 0.000 0.270 643 P C 0.017 177.330 177.300 0.021 0.000 1.242 643 P CA 0.478 63.593 63.100 0.024 0.000 0.768 643 P CB 0.564 32.268 31.700 0.006 0.000 0.820 644 A N 3.854 126.687 122.820 0.023 0.000 2.546 644 A HA 0.387 4.707 4.320 -0.000 0.000 0.243 644 A C 1.615 179.199 177.584 0.001 0.000 1.063 644 A CA 0.751 52.801 52.037 0.023 0.000 0.757 644 A CB -1.295 17.719 19.000 0.022 0.000 0.991 644 A HN 0.865 nan 8.150 nan 0.000 0.503 645 G N 1.753 110.549 108.800 -0.007 0.000 2.162 645 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.260 645 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.260 645 G C 0.240 175.107 174.900 -0.056 0.000 0.976 645 G CA 0.733 45.819 45.100 -0.024 0.000 0.655 645 G HN 0.792 nan 8.290 nan 0.000 0.533 646 K N 0.766 121.115 120.400 -0.084 0.000 2.130 646 K HA 0.455 4.775 4.320 -0.000 0.000 0.268 646 K C -0.066 176.418 176.600 -0.193 0.000 0.983 646 K CA -0.349 55.878 56.287 -0.101 0.000 0.893 646 K CB 1.227 33.687 32.500 -0.066 0.000 1.066 646 K HN 0.087 nan 8.250 nan 0.000 0.450 647 T N 3.761 118.234 114.554 -0.134 0.000 2.737 647 T HA 0.327 4.677 4.350 -0.000 0.000 0.296 647 T C 0.324 174.964 174.700 -0.100 0.000 0.922 647 T CA -0.188 61.824 62.100 -0.147 0.000 1.079 647 T CB -0.130 68.707 68.868 -0.053 0.000 0.892 647 T HN 0.300 nan 8.240 nan 0.000 0.514 648 I N 2.819 123.303 120.570 -0.143 0.000 2.474 648 I HA 0.370 4.540 4.170 -0.000 0.000 0.294 648 I C 0.371 176.664 176.117 0.294 0.000 1.005 648 I CA -0.809 60.524 61.300 0.055 0.000 1.113 648 I CB 2.190 40.235 38.000 0.076 0.000 1.289 648 I HN 0.459 nan 8.210 nan 0.000 0.436 649 E N 5.324 125.693 120.200 0.282 0.000 2.191 649 E HA 0.608 4.958 4.350 -0.000 0.000 0.278 649 E C -1.367 175.488 176.600 0.425 0.000 0.972 649 E CA -0.503 56.114 56.400 0.362 0.000 0.804 649 E CB 1.798 31.732 29.700 0.390 0.000 1.110 649 E HN 0.420 nan 8.360 nan 0.000 0.394 650 F N 0.217 120.373 119.950 0.344 0.000 2.715 650 F HA 0.712 5.239 4.527 -0.000 0.000 0.318 650 F C -1.016 174.959 175.800 0.291 0.000 1.141 650 F CA -1.045 57.066 58.000 0.185 0.000 0.950 650 F CB 1.499 40.475 39.000 -0.040 0.000 1.374 650 F HN 0.130 nan 8.300 nan 0.000 0.477 651 K N 0.360 120.947 120.400 0.311 0.000 2.579 651 K HA 0.578 4.898 4.320 -0.000 0.000 0.284 651 K C -2.206 174.295 176.600 -0.164 0.000 0.990 651 K CA -0.748 55.640 56.287 0.168 0.000 0.880 651 K CB 2.718 35.445 32.500 0.377 0.000 1.488 651 K HN 0.590 nan 8.250 nan 0.000 0.425 652 F N 1.502 121.582 119.950 0.216 0.000 2.507 652 F HA 0.577 5.104 4.527 -0.000 0.000 0.327 652 F C -0.136 175.731 175.800 0.113 0.000 1.068 652 F CA -0.769 57.340 58.000 0.182 0.000 0.965 652 F CB 1.143 40.334 39.000 0.320 0.000 1.192 652 F HN 0.111 nan 8.300 nan 0.000 0.476 653 L N 1.177 122.592 121.223 0.319 0.000 2.333 653 L HA 0.638 4.978 4.340 -0.000 0.000 0.263 653 L C -1.052 175.957 176.870 0.232 0.000 1.014 653 L CA -1.109 53.818 54.840 0.145 0.000 0.820 653 L CB 2.224 44.098 42.059 -0.308 0.000 1.352 653 L HN 0.445 nan 8.230 nan 0.000 0.421 654 K N 1.789 122.278 120.400 0.148 0.000 2.358 654 K HA 0.573 4.893 4.320 -0.000 0.000 0.260 654 K C -1.337 175.277 176.600 0.023 0.000 0.956 654 K CA -0.737 55.559 56.287 0.015 0.000 0.834 654 K CB 1.893 34.341 32.500 -0.087 0.000 1.102 654 K HN 0.462 nan 8.250 nan 0.000 0.431 655 K N 2.295 122.750 120.400 0.091 0.000 2.371 655 K HA 0.315 4.635 4.320 -0.000 0.000 0.251 655 K C -1.044 175.606 176.600 0.084 0.000 0.934 655 K CA -0.984 55.317 56.287 0.023 0.000 0.798 655 K CB 2.526 34.891 32.500 -0.226 0.000 1.204 655 K HN 0.362 nan 8.250 nan 0.000 0.427 656 Q N 1.153 120.972 119.800 0.032 0.000 2.337 656 Q HA 0.371 4.711 4.340 -0.000 0.000 0.264 656 Q C 0.112 176.126 176.000 0.022 0.000 1.007 656 Q CA 0.208 56.038 55.803 0.045 0.000 0.727 656 Q CB 1.408 30.169 28.738 0.037 0.000 1.256 656 Q HN 0.875 nan 8.270 nan 0.000 0.467 657 G N 2.103 110.921 108.800 0.030 0.000 2.561 657 G HA2 -0.386 3.574 3.960 -0.000 0.000 0.289 657 G HA3 -0.386 3.574 3.960 -0.000 0.000 0.289 657 G C 0.558 175.442 174.900 -0.028 0.000 1.169 657 G CA 0.502 45.609 45.100 0.012 0.000 0.980 657 G HN 1.116 nan 8.290 nan 0.000 0.550 658 S N -0.820 114.862 115.700 -0.029 0.000 2.540 658 S HA 0.421 4.891 4.470 -0.000 0.000 0.218 658 S C 0.840 175.412 174.600 -0.046 0.000 0.977 658 S CA 1.198 59.367 58.200 -0.052 0.000 0.918 658 S CB 0.366 63.547 63.200 -0.032 0.000 0.806 658 S HN 0.960 nan 8.310 nan 0.000 0.496 659 T N 2.701 117.240 114.554 -0.025 0.000 2.870 659 T HA 0.448 4.798 4.350 -0.000 0.000 0.300 659 T C -0.533 174.149 174.700 -0.030 0.000 0.989 659 T CA -0.045 62.050 62.100 -0.008 0.000 1.139 659 T CB 1.301 70.175 68.868 0.011 0.000 0.920 659 T HN 0.260 nan 8.240 nan 0.000 0.537 660 V N 4.010 123.914 119.914 -0.017 0.000 2.638 660 V HA 0.601 4.721 4.120 -0.000 0.000 0.306 660 V C -0.517 175.583 176.094 0.011 0.000 1.052 660 V CA -0.437 61.824 62.300 -0.065 0.000 0.885 660 V CB 2.459 34.179 31.823 -0.171 0.000 0.999 660 V HN 0.925 nan 8.190 nan 0.000 0.424 661 T N 6.851 121.416 114.554 0.019 0.000 2.772 661 T HA 0.434 4.784 4.350 -0.000 0.000 0.288 661 T C -0.882 173.929 174.700 0.186 0.000 0.994 661 T CA 0.052 62.242 62.100 0.151 0.000 0.951 661 T CB 0.598 69.574 68.868 0.179 0.000 0.933 661 T HN 0.685 nan 8.240 nan 0.000 0.447 662 W N 2.425 123.808 121.300 0.139 0.000 2.261 662 W HA 0.325 4.985 4.660 -0.000 0.000 0.323 662 W C 0.955 177.467 176.519 -0.012 0.000 1.243 662 W CA -0.675 56.713 57.345 0.071 0.000 1.210 662 W CB 0.448 29.902 29.460 -0.010 0.000 1.149 662 W HN 0.622 nan 8.180 nan 0.000 0.562 663 E N 1.828 122.009 120.200 -0.032 0.000 2.413 663 E HA 0.223 4.573 4.350 -0.000 0.000 0.263 663 E C 0.767 177.217 176.600 -0.250 0.000 1.015 663 E CA 0.075 56.078 56.400 -0.662 0.000 0.916 663 E CB 0.553 29.758 29.700 -0.826 0.000 0.947 663 E HN 0.610 nan 8.360 nan 0.000 0.440 664 G N 2.085 110.716 108.800 -0.281 0.000 2.535 664 G HA2 0.511 4.471 3.960 -0.000 0.000 0.282 664 G HA3 0.511 4.471 3.960 -0.000 0.000 0.282 664 G C 0.430 175.216 174.900 -0.189 0.000 1.350 664 G CA -0.058 44.957 45.100 -0.141 0.000 1.039 664 G HN 0.960 nan 8.290 nan 0.000 0.509 665 G N -0.901 107.813 108.800 -0.142 0.000 2.539 665 G HA2 0.127 4.087 3.960 -0.000 0.000 0.256 665 G HA3 0.127 4.087 3.960 -0.000 0.000 0.256 665 G C 0.466 175.249 174.900 -0.195 0.000 1.233 665 G CA 0.881 45.889 45.100 -0.154 0.000 0.936 665 G HN 2.056 nan 8.290 nan 0.000 0.571 666 S N -0.043 115.526 115.700 -0.219 0.000 2.747 666 S HA 0.675 5.145 4.470 -0.000 0.000 0.300 666 S C 0.091 174.497 174.600 -0.325 0.000 1.121 666 S CA -0.498 57.562 58.200 -0.233 0.000 0.995 666 S CB 1.566 64.663 63.200 -0.171 0.000 1.113 666 S HN 0.882 nan 8.310 nan 0.000 0.547 667 N N 1.765 120.307 118.700 -0.264 0.000 2.492 667 N HA 0.161 4.901 4.740 -0.000 0.000 0.260 667 N C -0.307 175.012 175.510 -0.319 0.000 1.215 667 N CA 0.234 53.140 53.050 -0.240 0.000 0.923 667 N CB -0.115 38.333 38.487 -0.064 0.000 1.092 667 N HN 0.572 nan 8.380 nan 0.000 0.448 668 H N 0.558 119.429 119.070 -0.332 0.000 2.551 668 H HA 0.338 4.894 4.556 -0.000 0.000 0.358 668 H C 0.069 175.132 175.328 -0.441 0.000 1.151 668 H CA 0.380 56.096 56.048 -0.554 0.000 1.374 668 H CB 0.876 29.886 29.762 -1.253 0.000 1.473 668 H HN 0.337 nan 8.280 nan 0.000 0.574 669 T N 2.942 117.504 114.554 0.012 0.000 2.903 669 T HA 0.494 4.844 4.350 -0.000 0.000 0.299 669 T C -1.016 173.973 174.700 0.482 0.000 1.093 669 T CA -0.704 61.539 62.100 0.239 0.000 1.002 669 T CB 1.444 70.400 68.868 0.148 0.000 1.127 669 T HN 0.532 nan 8.240 nan 0.000 0.488 670 F N -0.791 119.335 119.950 0.294 0.000 2.770 670 F HA 0.677 5.204 4.527 -0.000 0.000 0.313 670 F C -1.673 174.236 175.800 0.183 0.000 1.154 670 F CA -0.825 57.322 58.000 0.245 0.000 0.923 670 F CB 0.824 40.010 39.000 0.311 0.000 1.301 670 F HN 0.433 nan 8.300 nan 0.000 0.449 671 T N 2.780 117.192 114.554 -0.237 0.000 2.770 671 T HA 0.751 5.101 4.350 -0.000 0.000 0.283 671 T C -0.104 174.383 174.700 -0.354 0.000 0.988 671 T CA -0.152 61.725 62.100 -0.371 0.000 0.957 671 T CB 1.200 70.012 68.868 -0.092 0.000 0.930 671 T HN 0.935 nan 8.240 nan 0.000 0.443 672 A N 6.086 128.613 122.820 -0.489 0.000 2.477 672 A HA 0.510 4.830 4.320 -0.000 0.000 0.246 672 A C -1.909 175.699 177.584 0.041 0.000 1.078 672 A CA -1.264 50.729 52.037 -0.073 0.000 0.770 672 A CB -0.339 18.633 19.000 -0.046 0.000 1.011 672 A HN 0.545 nan 8.150 nan 0.000 0.494 673 P HA -0.047 nan 4.420 nan 0.000 0.267 673 P C 0.877 178.213 177.300 0.059 0.000 1.201 673 P CA 0.651 63.804 63.100 0.090 0.000 0.775 673 P CB 0.745 32.509 31.700 0.107 0.000 0.854 674 S N 0.986 116.713 115.700 0.045 0.000 2.436 674 S HA 0.016 4.486 4.470 -0.000 0.000 0.228 674 S C 0.678 175.300 174.600 0.036 0.000 1.014 674 S CA 0.786 59.005 58.200 0.031 0.000 0.950 674 S CB -0.527 62.688 63.200 0.025 0.000 0.784 674 S HN 0.747 nan 8.310 nan 0.000 0.504 675 S N -1.635 114.095 115.700 0.049 0.000 2.587 675 S HA 0.688 5.158 4.470 -0.000 0.000 0.269 675 S C 0.203 174.848 174.600 0.074 0.000 1.154 675 S CA -0.469 57.764 58.200 0.054 0.000 0.824 675 S CB 0.792 64.016 63.200 0.041 0.000 1.118 675 S HN 1.690 nan 8.310 nan 0.000 0.462 676 G N 1.006 109.861 108.800 0.092 0.000 2.645 676 G HA2 0.160 4.120 3.960 -0.000 0.000 0.239 676 G HA3 0.160 4.120 3.960 -0.000 0.000 0.239 676 G C 0.021 175.000 174.900 0.132 0.000 1.331 676 G CA 0.420 45.589 45.100 0.115 0.000 0.890 676 G HN 2.228 nan 8.290 nan 0.000 0.572 677 T N -2.405 112.226 114.554 0.129 0.000 2.889 677 T HA 1.034 5.384 4.350 -0.000 0.000 0.278 677 T C 0.231 174.984 174.700 0.089 0.000 0.995 677 T CA 0.547 62.725 62.100 0.131 0.000 0.966 677 T CB 1.781 70.734 68.868 0.141 0.000 1.237 677 T HN 2.695 nan 8.240 nan 0.000 0.591 678 A N -0.195 122.661 122.820 0.061 0.000 2.567 678 A HA 0.658 4.978 4.320 -0.000 0.000 0.291 678 A C -0.880 176.663 177.584 -0.068 0.000 1.048 678 A CA -0.960 51.084 52.037 0.012 0.000 0.661 678 A CB 1.004 20.026 19.000 0.038 0.000 1.288 678 A HN 0.926 nan 8.150 nan 0.000 0.424 679 T N 2.212 116.706 114.554 -0.100 0.000 2.890 679 T HA 0.538 4.888 4.350 -0.000 0.000 0.295 679 T C -0.640 173.926 174.700 -0.223 0.000 0.993 679 T CA -0.278 61.731 62.100 -0.152 0.000 0.979 679 T CB 0.628 69.475 68.868 -0.035 0.000 0.967 679 T HN 0.501 nan 8.240 nan 0.000 0.441 680 I N 3.652 123.969 120.570 -0.420 0.000 2.321 680 I HA 0.439 4.609 4.170 -0.000 0.000 0.291 680 I C 0.070 176.076 176.117 -0.184 0.000 0.998 680 I CA -0.714 60.363 61.300 -0.372 0.000 1.227 680 I CB 1.086 38.641 38.000 -0.743 0.000 1.368 680 I HN 0.504 nan 8.210 nan 0.000 0.466 681 N N 6.251 124.907 118.700 -0.074 0.000 2.372 681 N HA 0.671 5.411 4.740 -0.000 0.000 0.285 681 N C -1.002 174.508 175.510 0.000 0.000 1.008 681 N CA -0.215 52.805 53.050 -0.051 0.000 0.880 681 N CB 2.448 40.907 38.487 -0.047 0.000 1.239 681 N HN 0.519 nan 8.380 nan 0.000 0.484 682 V N 0.748 120.657 119.914 -0.008 0.000 3.188 682 V HA 0.665 4.785 4.120 -0.000 0.000 0.305 682 V C -0.799 175.297 176.094 0.003 0.000 1.232 682 V CA -1.095 61.199 62.300 -0.011 0.000 1.043 682 V CB 2.076 33.809 31.823 -0.150 0.000 1.068 682 V HN 0.491 nan 8.190 nan 0.000 0.439 683 N N 2.009 120.751 118.700 0.071 0.000 2.443 683 N HA 0.264 5.004 4.740 -0.000 0.000 0.295 683 N C -0.790 174.859 175.510 0.232 0.000 1.076 683 N CA -0.303 52.825 53.050 0.130 0.000 0.919 683 N CB 1.933 40.497 38.487 0.128 0.000 1.176 683 N HN 1.008 nan 8.380 nan 0.000 0.487 684 W N 3.293 124.631 121.300 0.063 0.000 2.308 684 W HA 0.046 4.706 4.660 -0.000 0.000 0.324 684 W C -0.693 175.913 176.519 0.144 0.000 1.387 684 W CA -0.030 57.390 57.345 0.124 0.000 1.250 684 W CB 0.241 29.721 29.460 0.034 0.000 1.257 684 W HN 0.443 nan 8.180 nan 0.000 0.554 685 Q N 7.874 127.517 119.800 -0.263 0.000 2.274 685 Q HA 0.285 4.625 4.340 -0.000 0.000 0.256 685 Q C -1.971 173.876 176.000 -0.255 0.000 0.927 685 Q CA -1.806 53.898 55.803 -0.165 0.000 0.939 685 Q CB 1.062 29.706 28.738 -0.155 0.000 1.201 685 Q HN 0.209 nan 8.270 nan 0.000 0.426 686 P HA 0.000 nan 4.420 nan 0.000 0.216 686 P CA 0.000 63.221 63.100 0.202 0.000 0.800 686 P CB 0.000 31.820 31.700 0.200 0.000 0.726