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 3ldk_1_A DATA FIRST_RESID 20 DATA SEQUENCE SYHLDTTAPP PTNLSTLPNN TLFHLWRPRA HILPAEGQIG DPCAHYTDPS DATA SEQUENCE TGLFHVGFLH DGDGIAGATT ANLATYTDTS DNGSFLIQPG GKNDPVAVFD DATA SEQUENCE GAVIPVGVNN TPTLLYTSVS FLPIHWSIPY TRGSETQSLA VARDGGRRFD DATA SEQUENCE KLDQGPVIAD HPFAVDVTAF RAPFVFRSAR LDVLLSLDEE VARNETAVQQ DATA SEQUENCE AVDGWTEKNA PWYVAVSGGV HGVGPAQFLY RQNGGNASEF QYWEYLGEWW DATA SEQUENCE QEATNSSWGD EGTWAGRWGF NFETGNVLFL TEEGHDPQTG EVFVTLGTEG DATA SEQUENCE SGLPIVPQVS SIHDMLWAAG EVGVGSEQEG AKVEFSPSMA GFLDWGFSAY DATA SEQUENCE AAAGKVLPAS SAVSKTSGVE VDRYVSFVWL TGDQYEQADG FPTAQQGWTG DATA SEQUENCE SLLLPRELKV QTVENVVDNE LVREEGVSWV VGESDNQTAT LRTLGITIAR DATA SEQUENCE ETKAALLANG SVTAEEDRTL QTAAVVPFAQ SPSSKFFVLT AQLEFPASAR DATA SEQUENCE SSPLQSGFEI LASELERTAI YYQFSNESLV VDRSQTSAAA PTNPGLDSFT DATA SEQUENCE ESGKLRLFDV IENGQEQVET LDLTVVVDNA VVEVYANGRF ALSTWARSWY DATA SEQUENCE DNSTQIRFFH NGEGEVQFRN VSVSEGLYNA WPER 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 20 S HA 0.000 nan 4.470 nan 0.000 0.327 20 S C 0.000 174.716 174.600 0.194 0.000 1.055 20 S CA 0.000 58.267 58.200 0.111 0.000 1.107 20 S CB 0.000 63.239 63.200 0.065 0.000 0.593 21 Y N 7.247 127.591 120.300 0.073 0.000 2.345 21 Y HA 0.552 5.103 4.550 0.000 0.000 0.331 21 Y C -0.145 175.831 175.900 0.127 0.000 0.959 21 Y CA -0.785 57.375 58.100 0.101 0.000 1.204 21 Y CB 0.591 39.080 38.460 0.049 0.000 1.135 21 Y HN 0.776 nan 8.280 nan 0.000 0.477 22 H N 5.941 124.705 119.070 -0.510 0.000 2.473 22 H HA 0.287 4.843 4.556 0.000 0.000 0.327 22 H C -1.009 173.805 175.328 -0.857 0.000 1.105 22 H CA -1.280 54.466 56.048 -0.503 0.000 1.280 22 H CB 1.619 31.243 29.762 -0.231 0.000 1.450 22 H HN 0.753 nan 8.280 nan 0.000 0.492 23 L N 3.410 124.108 121.223 -0.874 0.000 2.660 23 L HA 0.029 4.369 4.340 0.000 0.000 0.272 23 L C 0.022 176.531 176.870 -0.601 0.000 1.194 23 L CA 0.839 55.261 54.840 -0.697 0.000 0.945 23 L CB -0.263 41.591 42.059 -0.342 0.000 1.212 23 L HN 0.723 nan 8.230 nan 0.000 0.490 24 D N 2.997 123.180 120.400 -0.363 0.000 2.454 24 D HA 0.153 4.793 4.640 0.000 0.000 0.247 24 D C 0.428 176.728 176.300 0.000 0.000 1.129 24 D CA -0.142 53.745 54.000 -0.189 0.000 0.877 24 D CB 1.185 41.926 40.800 -0.098 0.000 1.082 24 D HN 0.646 nan 8.370 nan 0.000 0.537 25 T N -0.163 114.284 114.554 -0.178 0.000 3.324 25 T HA 0.023 4.373 4.350 0.000 0.000 0.250 25 T C 1.295 176.000 174.700 0.008 0.000 1.059 25 T CA 0.257 62.149 62.100 -0.346 0.000 0.951 25 T CB -0.306 68.140 68.868 -0.703 0.000 1.030 25 T HN 0.335 nan 8.240 nan 0.000 0.576 26 T N -2.461 112.201 114.554 0.181 0.000 2.985 26 T HA 0.638 4.988 4.350 0.000 0.000 0.254 26 T C 0.767 175.734 174.700 0.444 0.000 1.021 26 T CA 0.029 62.314 62.100 0.308 0.000 0.957 26 T CB 0.200 69.166 68.868 0.164 0.000 1.047 26 T HN 0.503 nan 8.240 nan 0.000 0.511 27 A N 2.021 125.080 122.820 0.398 0.000 2.299 27 A HA 0.816 5.136 4.320 0.000 0.000 0.332 27 A C -2.906 174.909 177.584 0.385 0.000 1.131 27 A CA -2.289 49.974 52.037 0.377 0.000 0.844 27 A CB 0.536 19.686 19.000 0.249 0.000 1.251 27 A HN 0.163 nan 8.150 nan 0.000 0.486 28 P HA 0.184 nan 4.420 nan 0.000 0.268 28 P C -2.345 174.786 177.300 -0.282 0.000 1.204 28 P CA -0.530 62.557 63.100 -0.023 0.000 0.768 28 P CB 0.070 31.780 31.700 0.017 0.000 0.842 29 P HA 0.154 nan 4.420 nan 0.000 0.272 29 P C -2.399 174.504 177.300 -0.662 0.000 1.230 29 P CA -1.344 61.025 63.100 -1.219 0.000 0.788 29 P CB -0.593 29.654 31.700 -2.422 0.000 0.949 30 P HA 0.001 nan 4.420 nan 0.000 0.272 30 P C 1.204 178.294 177.300 -0.351 0.000 1.223 30 P CA 0.058 62.891 63.100 -0.445 0.000 0.784 30 P CB 0.186 31.593 31.700 -0.488 0.000 0.923 31 T N -1.948 112.450 114.554 -0.261 0.000 2.788 31 T HA -0.122 4.228 4.350 0.000 0.000 0.268 31 T C 0.879 175.472 174.700 -0.180 0.000 1.044 31 T CA 0.923 62.901 62.100 -0.203 0.000 1.139 31 T CB -0.467 68.311 68.868 -0.150 0.000 0.867 31 T HN 0.379 nan 8.240 nan 0.000 0.454 32 N N 0.645 119.242 118.700 -0.171 0.000 2.569 32 N HA 0.334 5.074 4.740 0.000 0.000 0.254 32 N C 0.565 175.993 175.510 -0.136 0.000 1.004 32 N CA -0.446 52.522 53.050 -0.137 0.000 0.904 32 N CB 1.048 39.471 38.487 -0.106 0.000 1.165 32 N HN 0.251 nan 8.380 nan 0.000 0.513 33 L N 1.179 122.320 121.223 -0.137 0.000 2.201 33 L HA -0.048 4.292 4.340 0.000 0.000 0.212 33 L C 1.694 178.508 176.870 -0.093 0.000 1.105 33 L CA 0.757 55.533 54.840 -0.106 0.000 0.775 33 L CB -0.066 41.931 42.059 -0.103 0.000 0.913 33 L HN 0.405 nan 8.230 nan 0.000 0.440 34 S N -0.971 114.664 115.700 -0.107 0.000 2.595 34 S HA -0.108 4.362 4.470 0.000 0.000 0.235 34 S C 1.911 176.479 174.600 -0.053 0.000 0.974 34 S CA 1.356 59.503 58.200 -0.088 0.000 0.942 34 S CB -0.298 62.850 63.200 -0.086 0.000 0.766 34 S HN 0.634 nan 8.310 nan 0.000 0.536 35 T N -0.860 113.666 114.554 -0.047 0.000 3.057 35 T HA 0.240 4.590 4.350 0.000 0.000 0.254 35 T C 0.548 175.250 174.700 0.002 0.000 1.094 35 T CA -0.207 61.877 62.100 -0.027 0.000 1.088 35 T CB -0.234 68.611 68.868 -0.038 0.000 0.934 35 T HN -0.030 nan 8.240 nan 0.000 0.497 36 L N 2.440 123.673 121.223 0.016 0.000 2.479 36 L HA 0.371 4.711 4.340 0.000 0.000 0.270 36 L C -2.172 174.726 176.870 0.047 0.000 1.236 36 L CA -1.854 53.028 54.840 0.071 0.000 0.823 36 L CB -0.314 41.810 42.059 0.109 0.000 1.098 36 L HN 0.060 nan 8.230 nan 0.000 0.500 37 P HA 0.096 nan 4.420 nan 0.000 0.275 37 P C -0.752 176.567 177.300 0.032 0.000 1.228 37 P CA -0.476 62.648 63.100 0.039 0.000 0.786 37 P CB 0.341 32.064 31.700 0.040 0.000 0.927 38 N N 2.762 121.480 118.700 0.029 0.000 2.232 38 N HA -0.134 4.606 4.740 0.000 0.000 0.251 38 N C 0.614 176.153 175.510 0.049 0.000 1.242 38 N CA 0.987 54.059 53.050 0.037 0.000 0.837 38 N CB -0.663 37.846 38.487 0.037 0.000 1.079 38 N HN 0.453 nan 8.380 nan 0.000 0.461 39 N N -1.054 117.695 118.700 0.081 0.000 2.857 39 N HA -0.217 4.523 4.740 0.000 0.000 0.242 39 N C 0.535 176.111 175.510 0.111 0.000 0.983 39 N CA 1.554 54.686 53.050 0.137 0.000 0.934 39 N CB -1.266 37.275 38.487 0.090 0.000 1.115 39 N HN 0.554 nan 8.380 nan 0.000 0.593 40 T N -0.034 114.553 114.554 0.055 0.000 2.849 40 T HA -0.058 4.292 4.350 0.000 0.000 0.270 40 T C 1.222 175.921 174.700 -0.001 0.000 1.066 40 T CA 1.048 63.162 62.100 0.024 0.000 1.130 40 T CB -0.038 68.840 68.868 0.017 0.000 0.864 40 T HN 0.344 nan 8.240 nan 0.000 0.481 41 L N -0.045 121.168 121.223 -0.017 0.000 2.872 41 L HA 0.351 4.691 4.340 0.000 0.000 0.245 41 L C 1.383 178.234 176.870 -0.031 0.000 1.211 41 L CA -0.279 54.481 54.840 -0.133 0.000 1.013 41 L CB -0.344 41.556 42.059 -0.265 0.000 1.326 41 L HN 0.119 nan 8.230 nan 0.000 0.525 42 F N 0.818 120.752 119.950 -0.026 0.000 2.154 42 F HA -0.254 4.273 4.527 0.000 0.000 0.301 42 F C 2.056 177.862 175.800 0.011 0.000 1.087 42 F CA 2.022 60.054 58.000 0.054 0.000 1.274 42 F CB 0.099 39.024 39.000 -0.126 0.000 1.009 42 F HN 0.277 nan 8.300 nan 0.000 0.485 43 H N -2.200 117.018 119.070 0.247 0.000 2.740 43 H HA 0.096 4.652 4.556 0.000 0.000 0.265 43 H C 1.699 177.045 175.328 0.030 0.000 0.978 43 H CA 0.388 56.527 56.048 0.152 0.000 1.198 43 H CB 0.070 29.922 29.762 0.149 0.000 1.467 43 H HN 0.171 nan 8.280 nan 0.000 0.511 44 L N 0.015 121.187 121.223 -0.085 0.000 2.021 44 L HA -0.229 4.111 4.340 0.000 0.000 0.215 44 L C 0.895 177.601 176.870 -0.273 0.000 1.074 44 L CA 1.811 56.394 54.840 -0.428 0.000 0.760 44 L CB -0.255 41.177 42.059 -1.045 0.000 0.889 44 L HN 0.428 nan 8.230 nan 0.000 0.433 45 W N -0.918 120.492 121.300 0.184 0.000 2.998 45 W HA 0.336 4.997 4.660 0.000 0.000 0.336 45 W C 0.957 177.701 176.519 0.375 0.000 1.112 45 W CA -0.721 56.765 57.345 0.235 0.000 1.682 45 W CB -0.573 29.010 29.460 0.204 0.000 1.065 45 W HN 0.021 nan 8.180 nan 0.000 0.570 46 R N 3.154 123.991 120.500 0.561 0.000 2.538 46 R HA 0.003 4.343 4.340 0.000 0.000 0.282 46 R C -1.989 174.411 176.300 0.166 0.000 1.009 46 R CA -0.591 55.618 56.100 0.181 0.000 1.063 46 R CB 0.446 30.614 30.300 -0.220 0.000 0.945 46 R HN -0.250 nan 8.270 nan 0.000 0.414 47 P HA 0.084 nan 4.420 nan 0.000 0.277 47 P C -0.886 176.490 177.300 0.127 0.000 1.271 47 P CA -0.128 63.058 63.100 0.144 0.000 0.795 47 P CB 0.787 32.477 31.700 -0.017 0.000 1.101 48 R N -0.456 120.136 120.500 0.154 0.000 2.435 48 R HA 0.458 4.798 4.340 0.000 0.000 0.221 48 R C 1.114 177.384 176.300 -0.051 0.000 0.885 48 R CA 0.155 56.258 56.100 0.006 0.000 1.018 48 R CB -0.195 29.984 30.300 -0.203 0.000 1.259 48 R HN 0.306 nan 8.270 nan 0.000 0.597 49 A N 0.609 123.405 122.820 -0.039 0.000 2.564 49 A HA 0.368 4.688 4.320 0.000 0.000 0.279 49 A C -0.943 176.566 177.584 -0.123 0.000 1.232 49 A CA -0.463 51.392 52.037 -0.304 0.000 0.950 49 A CB -0.183 18.497 19.000 -0.534 0.000 1.138 49 A HN 0.285 nan 8.150 nan 0.000 0.526 50 H N -1.074 117.997 119.070 0.002 0.000 2.616 50 H HA 0.576 5.132 4.556 0.000 0.000 0.353 50 H C -0.338 175.066 175.328 0.127 0.000 1.170 50 H CA -0.582 55.490 56.048 0.041 0.000 1.212 50 H CB 1.290 31.056 29.762 0.007 0.000 1.653 50 H HN 0.202 nan 8.280 nan 0.000 0.537 51 I N 4.189 124.842 120.570 0.138 0.000 2.379 51 I HA 0.147 4.317 4.170 0.000 0.000 0.290 51 I C -1.041 175.054 176.117 -0.037 0.000 1.063 51 I CA -0.240 61.120 61.300 0.099 0.000 1.351 51 I CB -0.204 37.712 38.000 -0.140 0.000 1.410 51 I HN 0.191 nan 8.210 nan 0.000 0.505 52 L N 6.603 127.739 121.223 -0.144 0.000 2.653 52 L HA 0.686 5.026 4.340 0.000 0.000 0.257 52 L C -2.950 173.556 176.870 -0.608 0.000 0.969 52 L CA -2.431 52.154 54.840 -0.426 0.000 0.869 52 L CB 0.399 42.289 42.059 -0.282 0.000 1.439 52 L HN 0.156 nan 8.230 nan 0.000 0.414 53 P HA 0.150 nan 4.420 nan 0.000 0.271 53 P C 0.560 177.601 177.300 -0.432 0.000 1.244 53 P CA 0.256 63.074 63.100 -0.469 0.000 0.793 53 P CB 0.669 32.080 31.700 -0.483 0.000 0.984 54 A N 0.649 123.257 122.820 -0.353 0.000 1.940 54 A HA -0.132 4.188 4.320 0.000 0.000 0.219 54 A C 1.051 178.642 177.584 0.012 0.000 1.176 54 A CA 1.603 53.513 52.037 -0.213 0.000 0.631 54 A CB -0.599 18.323 19.000 -0.132 0.000 0.814 54 A HN 0.768 nan 8.150 nan 0.000 0.446 55 E N -3.872 116.385 120.200 0.094 0.000 2.439 55 E HA 0.467 4.817 4.350 0.000 0.000 0.279 55 E C 0.133 176.940 176.600 0.344 0.000 1.077 55 E CA -0.303 56.277 56.400 0.301 0.000 0.849 55 E CB 0.109 30.014 29.700 0.341 0.000 1.408 55 E HN 1.538 nan 8.360 nan 0.000 0.457 56 G N 0.757 109.789 108.800 0.386 0.000 2.632 56 G HA2 -0.099 3.861 3.960 0.000 0.000 0.224 56 G HA3 -0.099 3.861 3.960 0.000 0.000 0.224 56 G C -0.697 174.412 174.900 0.348 0.000 1.341 56 G CA 0.317 45.611 45.100 0.324 0.000 0.880 56 G HN 1.000 nan 8.290 nan 0.000 0.566 57 Q N -0.819 119.138 119.800 0.263 0.000 2.235 57 Q HA 0.793 5.133 4.340 0.000 0.000 0.256 57 Q C -0.243 175.988 176.000 0.385 0.000 0.951 57 Q CA -0.844 55.126 55.803 0.278 0.000 0.890 57 Q CB 1.849 30.699 28.738 0.186 0.000 1.279 57 Q HN 1.433 nan 8.270 nan 0.000 0.444 58 I N 2.444 123.218 120.570 0.339 0.000 2.433 58 I HA 0.760 4.930 4.170 0.000 0.000 0.292 58 I C -0.209 176.055 176.117 0.245 0.000 1.001 58 I CA -0.674 60.789 61.300 0.272 0.000 1.119 58 I CB 1.481 39.488 38.000 0.011 0.000 1.289 58 I HN 0.884 nan 8.210 nan 0.000 0.438 59 G N 4.748 113.550 108.800 0.003 0.000 2.945 59 G HA2 0.207 4.167 3.960 0.000 0.000 0.156 59 G HA3 0.207 4.167 3.960 0.000 0.000 0.156 59 G C -0.858 173.424 174.900 -1.030 0.000 1.375 59 G CA -0.460 44.323 45.100 -0.529 0.000 1.039 59 G HN 0.565 nan 8.290 nan 0.000 0.586 60 D N 2.142 122.001 120.400 -0.901 0.000 2.493 60 D HA 0.238 4.878 4.640 0.000 0.000 0.240 60 D C -1.805 174.387 176.300 -0.181 0.000 1.142 60 D CA -0.405 53.261 54.000 -0.556 0.000 0.872 60 D CB 1.094 41.717 40.800 -0.295 0.000 1.173 60 D HN 0.024 nan 8.370 nan 0.000 0.467 61 P HA 0.237 nan 4.420 nan 0.000 0.277 61 P C -0.433 176.894 177.300 0.044 0.000 1.240 61 P CA -0.528 62.669 63.100 0.162 0.000 0.798 61 P CB 0.941 32.834 31.700 0.322 0.000 0.979 62 C N -2.349 116.879 119.300 -0.120 0.000 3.176 62 C HA 0.742 5.203 4.460 0.000 0.000 0.343 62 C C 0.333 175.030 174.990 -0.490 0.000 1.332 62 C CA -0.156 58.687 59.018 -0.293 0.000 1.200 62 C CB 0.367 28.042 27.740 -0.108 0.000 1.440 62 C HN 0.823 nan 8.230 nan 0.000 0.458 63 A N 0.372 122.958 122.820 -0.389 0.000 2.872 63 A HA -0.066 4.254 4.320 0.000 0.000 0.273 63 A C 0.090 177.562 177.584 -0.186 0.000 1.442 63 A CA 1.350 53.208 52.037 -0.299 0.000 0.801 63 A CB -2.732 16.075 19.000 -0.322 0.000 1.031 63 A HN 1.594 nan 8.150 nan 0.000 0.582 64 H N -0.894 118.180 119.070 0.007 0.000 2.615 64 H HA 0.621 5.177 4.556 0.000 0.000 0.363 64 H C 0.125 175.456 175.328 0.005 0.000 1.148 64 H CA 1.001 56.974 56.048 -0.124 0.000 1.401 64 H CB 0.406 30.132 29.762 -0.060 0.000 1.461 64 H HN 1.052 nan 8.280 nan 0.000 0.588 65 Y N -2.627 117.510 120.300 -0.270 0.000 2.522 65 Y HA 0.248 4.798 4.550 0.000 0.000 0.326 65 Y C -1.394 174.454 175.900 -0.087 0.000 1.198 65 Y CA -0.997 57.043 58.100 -0.100 0.000 1.112 65 Y CB 0.307 38.707 38.460 -0.100 0.000 1.342 65 Y HN 0.420 nan 8.280 nan 0.000 0.460 66 T N 3.677 118.350 114.554 0.198 0.000 2.749 66 T HA 0.116 4.466 4.350 0.000 0.000 0.295 66 T C -0.643 174.166 174.700 0.181 0.000 0.936 66 T CA -0.037 62.204 62.100 0.234 0.000 1.060 66 T CB 0.336 69.407 68.868 0.338 0.000 0.904 66 T HN 0.642 nan 8.240 nan 0.000 0.500 67 D N 4.488 124.932 120.400 0.075 0.000 2.358 67 D HA 0.125 4.765 4.640 0.000 0.000 0.258 67 D C -1.464 174.930 176.300 0.156 0.000 1.223 67 D CA -2.192 51.899 54.000 0.152 0.000 0.886 67 D CB 1.425 42.315 40.800 0.150 0.000 1.120 67 D HN 0.135 nan 8.370 nan 0.000 0.482 68 P HA -0.154 nan 4.420 nan 0.000 0.215 68 P C 1.402 178.757 177.300 0.091 0.000 1.153 68 P CA 0.984 64.156 63.100 0.120 0.000 0.853 68 P CB 0.231 31.997 31.700 0.109 0.000 0.788 69 S N -1.246 114.503 115.700 0.081 0.000 2.355 69 S HA -0.117 4.353 4.470 0.000 0.000 0.222 69 S C 1.909 176.546 174.600 0.062 0.000 1.031 69 S CA 2.161 60.398 58.200 0.062 0.000 0.993 69 S CB -1.215 62.015 63.200 0.050 0.000 0.859 69 S HN 0.309 nan 8.310 nan 0.000 0.453 70 T N -3.330 111.271 114.554 0.079 0.000 3.037 70 T HA 0.420 4.770 4.350 0.000 0.000 0.251 70 T C 1.638 176.380 174.700 0.070 0.000 1.079 70 T CA 1.047 63.189 62.100 0.070 0.000 1.067 70 T CB -0.021 68.894 68.868 0.079 0.000 0.948 70 T HN 0.943 nan 8.240 nan 0.000 0.496 71 G N 1.571 110.425 108.800 0.091 0.000 2.212 71 G HA2 -0.242 3.718 3.960 0.000 0.000 0.266 71 G HA3 -0.242 3.718 3.960 0.000 0.000 0.266 71 G C 0.053 175.016 174.900 0.105 0.000 0.978 71 G CA 0.395 45.551 45.100 0.092 0.000 0.632 71 G HN 0.654 nan 8.290 nan 0.000 0.537 72 L N -0.221 121.063 121.223 0.102 0.000 2.461 72 L HA 0.542 4.882 4.340 0.000 0.000 0.272 72 L C 0.620 177.592 176.870 0.171 0.000 1.197 72 L CA -0.703 54.186 54.840 0.082 0.000 0.836 72 L CB 0.461 42.520 42.059 0.002 0.000 1.105 72 L HN 0.122 nan 8.230 nan 0.000 0.477 73 F N 2.335 122.270 119.950 -0.025 0.000 2.415 73 F HA 0.343 4.870 4.527 0.000 0.000 0.348 73 F C 0.230 176.002 175.800 -0.048 0.000 1.119 73 F CA -0.364 57.637 58.000 0.000 0.000 1.069 73 F CB 0.419 39.428 39.000 0.015 0.000 1.124 73 F HN 0.328 nan 8.300 nan 0.000 0.472 74 H N 4.970 123.501 119.070 -0.899 0.000 2.467 74 H HA 0.573 5.129 4.556 0.000 0.000 0.331 74 H C -0.839 174.081 175.328 -0.681 0.000 1.120 74 H CA -0.975 54.659 56.048 -0.691 0.000 1.270 74 H CB 2.058 31.312 29.762 -0.846 0.000 1.466 74 H HN 0.328 nan 8.280 nan 0.000 0.504 75 V N 1.893 121.689 119.914 -0.197 0.000 2.628 75 V HA 0.537 4.657 4.120 0.000 0.000 0.306 75 V C 0.465 176.565 176.094 0.011 0.000 1.045 75 V CA -0.686 61.559 62.300 -0.092 0.000 0.905 75 V CB 1.950 33.645 31.823 -0.213 0.000 0.997 75 V HN 0.966 nan 8.190 nan 0.000 0.436 76 G N 2.528 111.386 108.800 0.097 0.000 2.605 76 G HA2 0.913 4.873 3.960 0.000 0.000 0.296 76 G HA3 0.913 4.873 3.960 0.000 0.000 0.296 76 G C -1.496 173.397 174.900 -0.012 0.000 1.304 76 G CA -0.623 44.384 45.100 -0.154 0.000 0.941 76 G HN 0.955 nan 8.290 nan 0.000 0.475 77 F N -1.330 118.575 119.950 -0.076 0.000 2.704 77 F HA 0.518 5.045 4.527 0.000 0.000 0.312 77 F C -1.049 174.721 175.800 -0.050 0.000 1.108 77 F CA -1.645 56.310 58.000 -0.075 0.000 1.005 77 F CB 0.608 39.572 39.000 -0.060 0.000 1.277 77 F HN 0.470 nan 8.300 nan 0.000 0.445 78 L N 3.049 124.370 121.223 0.163 0.000 2.485 78 L HA 0.283 4.623 4.340 0.000 0.000 0.275 78 L C -0.587 176.498 176.870 0.358 0.000 1.207 78 L CA 0.215 55.150 54.840 0.158 0.000 0.855 78 L CB 0.275 42.346 42.059 0.020 0.000 1.114 78 L HN 0.821 nan 8.230 nan 0.000 0.485 79 H N 2.685 121.910 119.070 0.258 0.000 2.840 79 H HA 0.184 4.740 4.556 0.000 0.000 0.340 79 H C -0.474 175.071 175.328 0.363 0.000 1.004 79 H CA -0.859 55.357 56.048 0.280 0.000 1.288 79 H CB 0.952 30.740 29.762 0.044 0.000 1.607 79 H HN 0.628 nan 8.280 nan 0.000 0.522 80 D N 3.909 124.303 120.400 -0.010 0.000 2.911 80 D HA -0.180 4.460 4.640 0.000 0.000 0.227 80 D C 1.095 177.439 176.300 0.072 0.000 1.164 80 D CA 1.716 55.700 54.000 -0.027 0.000 0.782 80 D CB -1.317 39.399 40.800 -0.140 0.000 1.094 80 D HN 1.140 nan 8.370 nan 0.000 0.425 81 G N 0.808 109.679 108.800 0.119 0.000 2.233 81 G HA2 -0.343 3.617 3.960 0.000 0.000 0.270 81 G HA3 -0.343 3.617 3.960 0.000 0.000 0.270 81 G C 0.331 175.292 174.900 0.102 0.000 1.011 81 G CA 0.834 46.005 45.100 0.119 0.000 0.762 81 G HN 0.540 nan 8.290 nan 0.000 0.511 82 D N -0.605 119.853 120.400 0.097 0.000 2.696 82 D HA 0.504 5.144 4.640 0.000 0.000 0.269 82 D C 1.060 177.287 176.300 -0.122 0.000 1.319 82 D CA 1.326 55.294 54.000 -0.053 0.000 0.826 82 D CB -0.234 40.455 40.800 -0.185 0.000 1.086 82 D HN 1.386 nan 8.370 nan 0.000 0.481 83 G N -0.023 108.832 108.800 0.091 0.000 2.434 83 G HA2 -0.106 3.854 3.960 0.000 0.000 0.671 83 G HA3 -0.106 3.854 3.960 0.000 0.000 0.671 83 G C -0.761 174.300 174.900 0.268 0.000 1.280 83 G CA -0.677 44.481 45.100 0.096 0.000 0.975 83 G HN 0.162 nan 8.290 nan 0.000 0.510 84 I N 1.381 122.033 120.570 0.137 0.000 2.342 84 I HA 0.584 4.754 4.170 0.000 0.000 0.291 84 I C 0.931 177.059 176.117 0.018 0.000 1.010 84 I CA -0.197 61.116 61.300 0.021 0.000 1.308 84 I CB 1.308 39.219 38.000 -0.148 0.000 1.400 84 I HN 0.969 nan 8.210 nan 0.000 0.488 85 A N 4.553 127.176 122.820 -0.329 0.000 2.313 85 A HA 0.972 5.292 4.320 0.000 0.000 0.323 85 A C -0.061 177.064 177.584 -0.766 0.000 1.133 85 A CA -0.433 51.245 52.037 -0.598 0.000 0.847 85 A CB 1.542 19.951 19.000 -0.985 0.000 1.308 85 A HN 0.806 nan 8.150 nan 0.000 0.475 86 G N -1.843 106.644 108.800 -0.521 0.000 2.766 86 G HA2 0.865 4.825 3.960 0.000 0.000 0.288 86 G HA3 0.865 4.825 3.960 0.000 0.000 0.288 86 G C -0.854 173.971 174.900 -0.126 0.000 1.408 86 G CA -0.036 44.864 45.100 -0.332 0.000 0.852 86 G HN 2.025 nan 8.290 nan 0.000 0.487 87 A N -0.907 121.908 122.820 -0.007 0.000 2.586 87 A HA 0.911 5.231 4.320 0.000 0.000 0.291 87 A C -0.356 177.214 177.584 -0.023 0.000 1.062 87 A CA 0.199 52.300 52.037 0.106 0.000 0.666 87 A CB 1.301 20.532 19.000 0.384 0.000 1.281 87 A HN 1.989 nan 8.150 nan 0.000 0.421 88 T N -1.696 112.819 114.554 -0.066 0.000 2.916 88 T HA 0.864 5.214 4.350 0.000 0.000 0.292 88 T C -0.378 174.259 174.700 -0.104 0.000 1.055 88 T CA -0.246 61.721 62.100 -0.220 0.000 1.009 88 T CB 1.929 70.533 68.868 -0.440 0.000 1.118 88 T HN 1.693 nan 8.240 nan 0.000 0.497 89 T N -0.804 113.683 114.554 -0.111 0.000 2.900 89 T HA 0.671 5.021 4.350 0.000 0.000 0.303 89 T C 0.403 175.030 174.700 -0.122 0.000 1.142 89 T CA 0.021 61.996 62.100 -0.207 0.000 1.007 89 T CB 1.351 69.981 68.868 -0.396 0.000 1.156 89 T HN 1.041 nan 8.240 nan 0.000 0.490 90 A N 2.659 125.383 122.820 -0.161 0.000 2.259 90 A HA 0.278 4.598 4.320 0.000 0.000 0.213 90 A C 1.273 178.788 177.584 -0.116 0.000 1.209 90 A CA 0.603 52.579 52.037 -0.101 0.000 0.910 90 A CB -0.091 18.852 19.000 -0.094 0.000 0.946 90 A HN 0.819 nan 8.150 nan 0.000 0.497 91 N N -2.021 116.571 118.700 -0.180 0.000 2.166 91 N HA 0.210 4.950 4.740 0.000 0.000 0.213 91 N C 0.438 175.828 175.510 -0.200 0.000 1.222 91 N CA 0.312 53.255 53.050 -0.179 0.000 0.900 91 N CB 0.611 38.982 38.487 -0.193 0.000 1.055 91 N HN 0.309 nan 8.380 nan 0.000 0.515 92 L N -1.775 119.299 121.223 -0.248 0.000 4.937 92 L HA -0.284 4.056 4.340 0.000 0.000 0.422 92 L C 0.912 177.646 176.870 -0.225 0.000 1.059 92 L CA 0.920 55.637 54.840 -0.205 0.000 1.111 92 L CB -1.723 40.252 42.059 -0.140 0.000 2.033 92 L HN 0.364 nan 8.230 nan 0.000 0.708 93 A N -1.939 120.689 122.820 -0.320 0.000 1.984 93 A HA 0.515 4.835 4.320 0.000 0.000 0.203 93 A C 0.931 178.381 177.584 -0.223 0.000 1.292 93 A CA 1.075 52.983 52.037 -0.214 0.000 0.782 93 A CB 0.026 18.836 19.000 -0.318 0.000 0.924 93 A HN 0.762 nan 8.150 nan 0.000 0.475 94 T N -2.797 111.461 114.554 -0.494 0.000 2.912 94 T HA 0.722 5.073 4.350 0.000 0.000 0.288 94 T C -0.859 173.280 174.700 -0.936 0.000 1.030 94 T CA -0.523 61.302 62.100 -0.459 0.000 1.020 94 T CB 1.319 70.049 68.868 -0.230 0.000 1.056 94 T HN 0.187 nan 8.240 nan 0.000 0.480 95 Y N -0.767 119.208 120.300 -0.542 0.000 2.576 95 Y HA 0.666 5.216 4.550 0.000 0.000 0.346 95 Y C 0.256 175.880 175.900 -0.459 0.000 1.018 95 Y CA -1.035 56.660 58.100 -0.675 0.000 1.050 95 Y CB 2.806 40.482 38.460 -1.307 0.000 1.280 95 Y HN 0.728 nan 8.280 nan 0.000 0.474 96 T N 1.708 116.250 114.554 -0.020 0.000 2.921 96 T HA 0.230 4.580 4.350 0.000 0.000 0.297 96 T C -1.299 173.579 174.700 0.296 0.000 1.013 96 T CA -0.986 61.218 62.100 0.172 0.000 0.990 96 T CB 0.951 69.852 68.868 0.055 0.000 1.023 96 T HN 0.431 nan 8.240 nan 0.000 0.447 97 D N 2.220 122.861 120.400 0.402 0.000 2.414 97 D HA 0.071 4.711 4.640 0.000 0.000 0.242 97 D C 1.566 177.933 176.300 0.111 0.000 1.129 97 D CA 0.219 54.374 54.000 0.258 0.000 0.885 97 D CB 1.594 42.475 40.800 0.136 0.000 1.198 97 D HN 0.677 nan 8.370 nan 0.000 0.437 98 T N -1.162 113.425 114.554 0.056 0.000 2.867 98 T HA -0.066 4.284 4.350 0.000 0.000 0.268 98 T C 0.999 175.720 174.700 0.035 0.000 1.057 98 T CA 0.684 62.804 62.100 0.033 0.000 1.136 98 T CB 0.056 68.944 68.868 0.033 0.000 0.874 98 T HN 0.478 nan 8.240 nan 0.000 0.466 99 S N 0.543 116.260 115.700 0.028 0.000 2.636 99 S HA 0.445 4.915 4.470 0.000 0.000 0.268 99 S C -1.670 172.945 174.600 0.025 0.000 1.159 99 S CA -1.072 57.148 58.200 0.033 0.000 0.815 99 S CB 1.565 64.791 63.200 0.045 0.000 1.130 99 S HN 0.488 nan 8.310 nan 0.000 0.471 100 D N -0.227 120.194 120.400 0.035 0.000 2.478 100 D HA 0.291 4.931 4.640 0.000 0.000 0.269 100 D C 0.007 176.340 176.300 0.055 0.000 1.232 100 D CA -0.499 53.521 54.000 0.033 0.000 1.059 100 D CB -0.053 40.768 40.800 0.035 0.000 1.104 100 D HN 0.852 nan 8.370 nan 0.000 0.566 101 N N -1.226 117.513 118.700 0.065 0.000 2.738 101 N HA -0.208 4.532 4.740 0.000 0.000 0.249 101 N C 0.778 176.389 175.510 0.168 0.000 1.047 101 N CA 2.002 55.122 53.050 0.117 0.000 0.707 101 N CB -1.229 37.332 38.487 0.123 0.000 0.937 101 N HN 0.958 nan 8.380 nan 0.000 0.545 102 G N -1.286 107.558 108.800 0.074 0.000 2.254 102 G HA2 -0.202 3.758 3.960 0.000 0.000 0.225 102 G HA3 -0.202 3.758 3.960 0.000 0.000 0.225 102 G C 0.569 175.244 174.900 -0.374 0.000 1.003 102 G CA 0.905 45.969 45.100 -0.060 0.000 0.622 102 G HN 1.726 nan 8.290 nan 0.000 0.507 103 S N -1.126 114.494 115.700 -0.134 0.000 3.635 103 S HA -0.203 4.267 4.470 0.000 0.000 0.328 103 S C 0.552 175.037 174.600 -0.192 0.000 1.135 103 S CA 1.090 59.204 58.200 -0.144 0.000 0.942 103 S CB -1.821 61.271 63.200 -0.181 0.000 0.930 103 S HN 1.316 nan 8.310 nan 0.000 0.512 104 F N 0.515 120.461 119.950 -0.006 0.000 2.490 104 F HA 0.341 4.868 4.527 0.000 0.000 0.336 104 F C 1.630 177.415 175.800 -0.025 0.000 1.178 104 F CA 0.355 58.339 58.000 -0.027 0.000 1.301 104 F CB 0.428 39.433 39.000 0.008 0.000 1.175 104 F HN 0.132 nan 8.300 nan 0.000 0.593 105 L N 1.732 123.067 121.223 0.186 0.000 2.577 105 L HA 0.440 4.780 4.340 0.000 0.000 0.225 105 L C -0.040 176.897 176.870 0.111 0.000 1.053 105 L CA 0.251 55.179 54.840 0.147 0.000 0.866 105 L CB 0.697 42.827 42.059 0.119 0.000 1.132 105 L HN 0.513 nan 8.230 nan 0.000 0.486 106 I N -0.498 120.094 120.570 0.036 0.000 2.828 106 I HA 0.271 4.441 4.170 0.000 0.000 0.295 106 I C -1.904 174.144 176.117 -0.116 0.000 1.459 106 I CA -0.277 60.980 61.300 -0.072 0.000 1.015 106 I CB 2.320 40.190 38.000 -0.217 0.000 1.345 106 I HN 0.028 nan 8.210 nan 0.000 0.449 107 Q N 6.780 126.492 119.800 -0.147 0.000 2.501 107 Q HA 0.557 4.897 4.340 0.000 0.000 0.288 107 Q C -2.686 173.237 176.000 -0.128 0.000 1.051 107 Q CA -1.759 53.931 55.803 -0.188 0.000 0.788 107 Q CB 2.508 31.062 28.738 -0.307 0.000 1.469 107 Q HN 0.380 nan 8.270 nan 0.000 0.416 108 P HA 0.103 nan 4.420 nan 0.000 0.272 108 P C 0.142 177.397 177.300 -0.075 0.000 1.240 108 P CA 0.483 63.541 63.100 -0.069 0.000 0.791 108 P CB 0.748 32.411 31.700 -0.063 0.000 0.978 109 G N -1.018 107.745 108.800 -0.062 0.000 2.425 109 G HA2 -0.061 3.899 3.960 0.000 0.000 0.177 109 G HA3 -0.061 3.899 3.960 0.000 0.000 0.177 109 G C 0.474 175.345 174.900 -0.047 0.000 0.999 109 G CA -0.038 45.026 45.100 -0.060 0.000 0.723 109 G HN 0.858 nan 8.290 nan 0.000 0.491 110 G N -0.044 108.736 108.800 -0.033 0.000 2.611 110 G HA2 0.467 4.427 3.960 0.000 0.000 0.273 110 G HA3 0.467 4.427 3.960 0.000 0.000 0.273 110 G C 0.855 175.733 174.900 -0.037 0.000 1.305 110 G CA 0.342 45.430 45.100 -0.021 0.000 1.010 110 G HN 0.264 nan 8.290 nan 0.000 0.509 111 K N -0.486 119.895 120.400 -0.031 0.000 2.228 111 K HA -0.017 4.303 4.320 0.000 0.000 0.202 111 K C 1.823 178.391 176.600 -0.053 0.000 1.051 111 K CA 0.776 57.038 56.287 -0.041 0.000 0.960 111 K CB 0.115 32.598 32.500 -0.028 0.000 0.743 111 K HN 0.271 nan 8.250 nan 0.000 0.458 112 N N 1.232 119.905 118.700 -0.045 0.000 2.409 112 N HA -0.069 4.671 4.740 0.000 0.000 0.174 112 N C -0.245 175.216 175.510 -0.082 0.000 1.037 112 N CA 0.947 53.958 53.050 -0.064 0.000 0.898 112 N CB 0.325 38.768 38.487 -0.073 0.000 1.010 112 N HN 0.264 nan 8.380 nan 0.000 0.445 113 D N -0.648 119.720 120.400 -0.055 0.000 2.886 113 D HA 0.159 4.799 4.640 0.000 0.000 0.355 113 D C -2.048 174.198 176.300 -0.090 0.000 1.274 113 D CA -1.524 52.439 54.000 -0.062 0.000 0.836 113 D CB 0.890 41.719 40.800 0.049 0.000 1.109 113 D HN 0.058 nan 8.370 nan 0.000 0.488 114 P HA -0.144 nan 4.420 nan 0.000 0.220 114 P C 1.132 178.349 177.300 -0.138 0.000 1.148 114 P CA 0.522 63.542 63.100 -0.134 0.000 0.803 114 P CB 0.623 32.221 31.700 -0.170 0.000 0.782 115 V N -1.145 118.666 119.914 -0.172 0.000 2.672 115 V HA 0.380 4.500 4.120 0.000 0.000 0.242 115 V C 1.289 177.321 176.094 -0.104 0.000 1.059 115 V CA 1.201 63.415 62.300 -0.144 0.000 1.081 115 V CB -0.314 31.401 31.823 -0.181 0.000 0.752 115 V HN 0.215 nan 8.190 nan 0.000 0.472 116 A N -0.948 121.791 122.820 -0.134 0.000 2.586 116 A HA 0.713 5.033 4.320 0.000 0.000 0.290 116 A C -1.750 175.787 177.584 -0.079 0.000 1.086 116 A CA -0.328 51.659 52.037 -0.083 0.000 0.665 116 A CB 1.763 20.730 19.000 -0.055 0.000 1.279 116 A HN -0.058 nan 8.150 nan 0.000 0.423 117 V N 2.102 122.055 119.914 0.065 0.000 2.349 117 V HA 0.524 4.644 4.120 0.000 0.000 0.284 117 V C -0.881 175.437 176.094 0.374 0.000 1.014 117 V CA -0.332 62.057 62.300 0.148 0.000 0.826 117 V CB 0.634 32.463 31.823 0.010 0.000 1.009 117 V HN 0.696 nan 8.190 nan 0.000 0.431 118 F N 1.227 121.251 119.950 0.123 0.000 2.294 118 F HA 0.482 5.009 4.527 0.000 0.000 0.319 118 F C 0.964 176.810 175.800 0.076 0.000 1.107 118 F CA -1.740 56.313 58.000 0.089 0.000 1.094 118 F CB 0.384 39.442 39.000 0.096 0.000 1.508 118 F HN 0.457 nan 8.300 nan 0.000 0.506 119 D N -0.307 120.226 120.400 0.222 0.000 2.478 119 D HA 0.386 5.026 4.640 0.000 0.000 0.234 119 D C 0.318 176.688 176.300 0.117 0.000 1.154 119 D CA 0.894 54.953 54.000 0.100 0.000 0.874 119 D CB 0.313 41.151 40.800 0.063 0.000 1.198 119 D HN 0.696 nan 8.370 nan 0.000 0.455 120 G N -1.108 107.716 108.800 0.041 0.000 2.682 120 G HA2 0.738 4.698 3.960 0.000 0.000 0.290 120 G HA3 0.738 4.698 3.960 0.000 0.000 0.290 120 G C -1.707 173.155 174.900 -0.064 0.000 1.425 120 G CA -0.413 44.700 45.100 0.020 0.000 0.807 120 G HN 0.629 nan 8.290 nan 0.000 0.482 121 A N -1.017 121.736 122.820 -0.112 0.000 2.485 121 A HA 0.899 5.219 4.320 0.000 0.000 0.292 121 A C -1.230 176.196 177.584 -0.262 0.000 1.147 121 A CA -0.649 51.285 52.037 -0.172 0.000 0.750 121 A CB 1.870 20.762 19.000 -0.180 0.000 1.331 121 A HN 1.388 nan 8.150 nan 0.000 0.419 122 V N 0.952 120.700 119.914 -0.276 0.000 2.604 122 V HA 0.425 4.545 4.120 0.000 0.000 0.305 122 V C -0.585 175.276 176.094 -0.387 0.000 1.043 122 V CA -0.234 61.857 62.300 -0.349 0.000 0.888 122 V CB 1.613 33.188 31.823 -0.412 0.000 0.995 122 V HN 0.685 nan 8.190 nan 0.000 0.429 123 I N 6.236 126.511 120.570 -0.491 0.000 2.312 123 I HA 0.266 4.436 4.170 0.000 0.000 0.290 123 I C -1.546 174.350 176.117 -0.369 0.000 1.008 123 I CA -1.778 59.115 61.300 -0.679 0.000 1.226 123 I CB 2.110 39.597 38.000 -0.856 0.000 1.371 123 I HN 0.455 nan 8.210 nan 0.000 0.468 124 P HA -0.147 nan 4.420 nan 0.000 0.215 124 P C 0.217 177.496 177.300 -0.036 0.000 1.157 124 P CA 1.188 64.275 63.100 -0.022 0.000 0.874 124 P CB 0.175 31.977 31.700 0.170 0.000 0.790 125 V N -0.696 119.239 119.914 0.036 0.000 2.257 125 V HA 0.529 4.649 4.120 0.000 0.000 0.269 125 V C 0.856 176.943 176.094 -0.011 0.000 1.040 125 V CA 0.077 62.401 62.300 0.040 0.000 0.813 125 V CB 0.442 32.349 31.823 0.139 0.000 1.065 125 V HN 0.133 nan 8.190 nan 0.000 0.457 126 G N 3.246 111.911 108.800 -0.225 0.000 3.306 126 G HA2 0.444 4.405 3.960 0.000 0.000 0.202 126 G HA3 0.444 4.405 3.960 0.000 0.000 0.202 126 G C -0.056 174.485 174.900 -0.599 0.000 1.673 126 G CA -0.355 44.366 45.100 -0.632 0.000 0.776 126 G HN 0.343 nan 8.290 nan 0.000 0.740 127 V N 2.104 121.629 119.914 -0.649 0.000 2.637 127 V HA 0.157 4.277 4.120 0.000 0.000 0.296 127 V C 0.365 176.355 176.094 -0.173 0.000 1.046 127 V CA 0.184 62.289 62.300 -0.326 0.000 1.066 127 V CB 0.843 32.513 31.823 -0.254 0.000 0.968 127 V HN 0.677 nan 8.190 nan 0.000 0.483 128 N N 3.574 122.226 118.700 -0.079 0.000 2.714 128 N HA -0.212 4.528 4.740 0.000 0.000 0.250 128 N C 0.454 175.931 175.510 -0.055 0.000 1.117 128 N CA 1.105 54.123 53.050 -0.054 0.000 0.719 128 N CB -1.388 37.058 38.487 -0.068 0.000 1.081 128 N HN 0.874 nan 8.380 nan 0.000 0.557 129 N N -2.196 116.475 118.700 -0.049 0.000 2.725 129 N HA -0.203 4.537 4.740 0.000 0.000 0.249 129 N C -0.112 175.362 175.510 -0.060 0.000 1.103 129 N CA 1.744 54.778 53.050 -0.027 0.000 0.707 129 N CB -1.562 36.928 38.487 0.005 0.000 1.043 129 N HN 0.828 nan 8.380 nan 0.000 0.553 130 T N -4.089 110.393 114.554 -0.120 0.000 2.916 130 T HA 0.607 4.957 4.350 0.000 0.000 0.292 130 T C -3.091 171.483 174.700 -0.209 0.000 1.064 130 T CA -2.062 59.951 62.100 -0.145 0.000 1.011 130 T CB 3.139 71.908 68.868 -0.164 0.000 1.152 130 T HN -0.292 nan 8.240 nan 0.000 0.510 131 P HA 0.211 nan 4.420 nan 0.000 0.260 131 P C -0.677 176.477 177.300 -0.245 0.000 1.185 131 P CA 0.300 63.194 63.100 -0.343 0.000 0.763 131 P CB 0.147 31.519 31.700 -0.545 0.000 0.776 132 T N 4.518 118.929 114.554 -0.238 0.000 2.812 132 T HA 0.444 4.794 4.350 0.000 0.000 0.282 132 T C -0.507 174.098 174.700 -0.158 0.000 0.990 132 T CA -0.481 61.527 62.100 -0.154 0.000 0.960 132 T CB 0.741 69.403 68.868 -0.342 0.000 0.948 132 T HN 0.114 nan 8.240 nan 0.000 0.438 133 L N 4.356 125.547 121.223 -0.053 0.000 2.275 133 L HA 0.700 5.040 4.340 0.000 0.000 0.288 133 L C -1.097 175.721 176.870 -0.088 0.000 1.046 133 L CA -0.773 53.932 54.840 -0.224 0.000 0.805 133 L CB 0.851 42.604 42.059 -0.510 0.000 1.193 133 L HN 0.537 nan 8.230 nan 0.000 0.426 134 L N 7.392 128.526 121.223 -0.148 0.000 2.294 134 L HA 0.572 4.912 4.340 0.000 0.000 0.283 134 L C -1.159 175.657 176.870 -0.089 0.000 1.015 134 L CA -0.195 54.536 54.840 -0.182 0.000 0.831 134 L CB 0.726 42.592 42.059 -0.322 0.000 1.217 134 L HN 0.662 nan 8.230 nan 0.000 0.420 135 Y N 0.811 120.990 120.300 -0.202 0.000 2.615 135 Y HA 0.719 5.269 4.550 0.000 0.000 0.341 135 Y C -0.555 175.273 175.900 -0.120 0.000 1.089 135 Y CA -1.146 56.864 58.100 -0.149 0.000 1.049 135 Y CB 0.937 39.313 38.460 -0.139 0.000 1.296 135 Y HN 0.361 nan 8.280 nan 0.000 0.470 136 T N 2.913 117.470 114.554 0.004 0.000 2.737 136 T HA 0.327 4.677 4.350 0.000 0.000 0.296 136 T C -0.380 174.286 174.700 -0.056 0.000 0.922 136 T CA -0.432 61.621 62.100 -0.078 0.000 1.079 136 T CB -0.260 68.663 68.868 0.090 0.000 0.892 136 T HN 0.670 nan 8.240 nan 0.000 0.514 137 S N 2.854 118.388 115.700 -0.277 0.000 2.475 137 S HA 0.558 5.028 4.470 0.000 0.000 0.281 137 S C -0.044 174.454 174.600 -0.169 0.000 1.198 137 S CA -0.931 57.168 58.200 -0.169 0.000 1.063 137 S CB 0.925 63.963 63.200 -0.269 0.000 0.972 137 S HN 0.411 nan 8.310 nan 0.000 0.486 138 V N 3.151 122.935 119.914 -0.217 0.000 2.483 138 V HA 0.414 4.534 4.120 0.000 0.000 0.295 138 V C 0.489 176.431 176.094 -0.252 0.000 1.035 138 V CA -0.477 61.642 62.300 -0.301 0.000 0.896 138 V CB 1.617 33.079 31.823 -0.602 0.000 0.986 138 V HN 1.045 nan 8.190 nan 0.000 0.447 139 S N 2.722 118.269 115.700 -0.256 0.000 2.549 139 S HA 0.451 4.921 4.470 0.000 0.000 0.225 139 S C -0.288 173.776 174.600 -0.893 0.000 1.039 139 S CA 0.178 58.062 58.200 -0.527 0.000 0.942 139 S CB 0.260 63.129 63.200 -0.552 0.000 0.881 139 S HN 0.555 nan 8.310 nan 0.000 0.503 140 F N 0.686 120.567 119.950 -0.114 0.000 2.601 140 F HA 0.645 5.172 4.527 0.000 0.000 0.309 140 F C -0.639 175.105 175.800 -0.094 0.000 1.089 140 F CA -0.909 57.032 58.000 -0.097 0.000 0.940 140 F CB 1.438 40.373 39.000 -0.109 0.000 1.273 140 F HN -0.173 nan 8.300 nan 0.000 0.450 141 L N 2.633 123.934 121.223 0.129 0.000 2.415 141 L HA 0.638 4.978 4.340 0.000 0.000 0.256 141 L C -2.219 174.702 176.870 0.086 0.000 1.010 141 L CA -1.732 53.164 54.840 0.094 0.000 0.826 141 L CB 2.583 44.692 42.059 0.083 0.000 1.405 141 L HN 0.493 nan 8.230 nan 0.000 0.410 142 P HA 0.502 nan 4.420 nan 0.000 0.279 142 P C -1.262 176.102 177.300 0.106 0.000 1.276 142 P CA -0.387 62.773 63.100 0.100 0.000 0.801 142 P CB 1.494 33.241 31.700 0.078 0.000 1.127 143 I N 0.454 121.133 120.570 0.180 0.000 2.497 143 I HA 0.310 4.480 4.170 0.000 0.000 0.284 143 I C -0.259 176.045 176.117 0.312 0.000 1.060 143 I CA -0.415 61.014 61.300 0.215 0.000 1.071 143 I CB 1.302 39.465 38.000 0.270 0.000 1.216 143 I HN 0.438 nan 8.210 nan 0.000 0.442 144 H N 6.226 125.382 119.070 0.143 0.000 2.996 144 H HA 0.155 4.711 4.556 0.000 0.000 0.368 144 H C -0.015 175.361 175.328 0.080 0.000 1.185 144 H CA -0.759 55.321 56.048 0.053 0.000 1.160 144 H CB 2.426 32.105 29.762 -0.137 0.000 1.820 144 H HN 0.795 nan 8.280 nan 0.000 0.547 145 W N 3.082 124.114 121.300 -0.446 0.000 2.364 145 W HA -0.139 4.521 4.660 0.000 0.000 0.281 145 W C 0.885 177.350 176.519 -0.091 0.000 1.219 145 W CA 1.210 58.393 57.345 -0.271 0.000 1.220 145 W CB -1.005 28.273 29.460 -0.304 0.000 1.127 145 W HN 0.416 nan 8.180 nan 0.000 0.556 146 S N 0.976 116.264 115.700 -0.687 0.000 2.603 146 S HA 0.139 4.609 4.470 0.000 0.000 0.220 146 S C 0.758 175.341 174.600 -0.028 0.000 0.967 146 S CA 0.222 58.162 58.200 -0.433 0.000 0.920 146 S CB -1.058 61.588 63.200 -0.923 0.000 0.773 146 S HN 0.400 nan 8.310 nan 0.000 0.529 147 I N -3.215 117.416 120.570 0.102 0.000 3.042 147 I HA 0.680 4.850 4.170 0.000 0.000 0.310 147 I C -3.215 172.997 176.117 0.159 0.000 1.117 147 I CA -3.350 58.009 61.300 0.097 0.000 1.003 147 I CB 1.051 39.080 38.000 0.049 0.000 1.228 147 I HN -0.290 nan 8.210 nan 0.000 0.443 148 P HA 0.002 nan 4.420 nan 0.000 0.266 148 P C -1.504 175.872 177.300 0.127 0.000 1.195 148 P CA 0.464 63.562 63.100 -0.004 0.000 0.768 148 P CB 0.076 31.750 31.700 -0.044 0.000 0.838 149 Y N 2.308 122.637 120.300 0.048 0.000 2.336 149 Y HA 0.191 4.741 4.550 0.000 0.000 0.335 149 Y C 0.324 176.230 175.900 0.010 0.000 1.046 149 Y CA 0.166 58.321 58.100 0.092 0.000 1.198 149 Y CB 0.488 39.033 38.460 0.141 0.000 1.182 149 Y HN 0.232 nan 8.280 nan 0.000 0.502 150 T N 7.495 121.856 114.554 -0.321 0.000 2.761 150 T HA 0.174 4.524 4.350 0.000 0.000 0.296 150 T C -0.052 174.463 174.700 -0.309 0.000 0.934 150 T CA -0.528 61.380 62.100 -0.320 0.000 1.091 150 T CB 0.032 68.648 68.868 -0.420 0.000 0.896 150 T HN 0.539 nan 8.240 nan 0.000 0.515 151 R N 2.394 122.823 120.500 -0.118 0.000 2.619 151 R HA 0.267 4.607 4.340 0.000 0.000 0.268 151 R C 1.516 177.768 176.300 -0.079 0.000 0.990 151 R CA 1.586 57.693 56.100 0.013 0.000 1.092 151 R CB -0.564 29.718 30.300 -0.028 0.000 0.935 151 R HN 0.936 nan 8.270 nan 0.000 0.415 152 G N 1.777 110.635 108.800 0.097 0.000 2.189 152 G HA2 -0.349 3.611 3.960 0.000 0.000 0.267 152 G HA3 -0.349 3.611 3.960 0.000 0.000 0.267 152 G C 1.076 176.145 174.900 0.281 0.000 0.975 152 G CA 0.794 45.997 45.100 0.171 0.000 0.644 152 G HN 0.603 nan 8.290 nan 0.000 0.537 153 S N 0.211 116.001 115.700 0.149 0.000 2.359 153 S HA -0.019 4.451 4.470 0.000 0.000 0.223 153 S C 0.930 175.602 174.600 0.120 0.000 1.039 153 S CA 1.900 60.170 58.200 0.117 0.000 1.042 153 S CB -0.069 62.907 63.200 -0.374 0.000 0.915 153 S HN 0.803 nan 8.310 nan 0.000 0.439 154 E N 0.600 120.935 120.200 0.226 0.000 2.218 154 E HA 0.446 4.796 4.350 0.000 0.000 0.263 154 E C -0.618 176.111 176.600 0.215 0.000 0.879 154 E CA -0.476 56.035 56.400 0.186 0.000 0.762 154 E CB 1.967 31.838 29.700 0.285 0.000 1.166 154 E HN 0.330 nan 8.360 nan 0.000 0.415 155 T N -0.027 114.555 114.554 0.046 0.000 2.930 155 T HA 0.416 4.766 4.350 0.000 0.000 0.290 155 T C -0.518 174.079 174.700 -0.172 0.000 1.052 155 T CA -1.179 60.923 62.100 0.003 0.000 1.017 155 T CB 1.573 70.427 68.868 -0.024 0.000 1.137 155 T HN 0.142 nan 8.240 nan 0.000 0.511 156 Q N 1.358 121.019 119.800 -0.233 0.000 2.347 156 Q HA 0.628 4.968 4.340 0.000 0.000 0.262 156 Q C -0.715 175.038 176.000 -0.412 0.000 0.980 156 Q CA -0.482 55.092 55.803 -0.383 0.000 0.867 156 Q CB 1.746 30.219 28.738 -0.442 0.000 1.242 156 Q HN 0.717 nan 8.270 nan 0.000 0.453 157 S N 1.754 117.081 115.700 -0.622 0.000 2.704 157 S HA 0.712 5.182 4.470 0.000 0.000 0.305 157 S C -0.134 174.249 174.600 -0.362 0.000 1.107 157 S CA -0.680 57.206 58.200 -0.523 0.000 0.993 157 S CB 1.158 63.991 63.200 -0.612 0.000 1.110 157 S HN 0.420 nan 8.310 nan 0.000 0.534 158 L N 1.334 122.478 121.223 -0.131 0.000 2.334 158 L HA 0.875 5.215 4.340 0.000 0.000 0.273 158 L C -0.219 176.711 176.870 0.101 0.000 1.013 158 L CA -0.619 54.214 54.840 -0.012 0.000 0.816 158 L CB 1.644 43.688 42.059 -0.025 0.000 1.278 158 L HN 0.745 nan 8.230 nan 0.000 0.431 159 A N 2.319 125.220 122.820 0.135 0.000 2.549 159 A HA 0.804 5.124 4.320 0.000 0.000 0.297 159 A C -1.417 176.278 177.584 0.185 0.000 1.061 159 A CA -0.470 51.672 52.037 0.175 0.000 0.690 159 A CB 1.981 21.123 19.000 0.238 0.000 1.287 159 A HN 0.329 nan 8.150 nan 0.000 0.402 160 V N 1.210 121.154 119.914 0.049 0.000 2.513 160 V HA 0.672 4.792 4.120 0.000 0.000 0.299 160 V C 0.774 176.569 176.094 -0.497 0.000 1.035 160 V CA -0.304 61.910 62.300 -0.144 0.000 0.889 160 V CB 1.642 33.372 31.823 -0.155 0.000 0.988 160 V HN 1.426 nan 8.190 nan 0.000 0.440 161 A N 6.118 128.368 122.820 -0.949 0.000 2.492 161 A HA 0.590 4.910 4.320 0.000 0.000 0.254 161 A C 0.180 177.416 177.584 -0.580 0.000 1.091 161 A CA -0.076 51.166 52.037 -1.324 0.000 0.768 161 A CB -0.016 18.242 19.000 -1.238 0.000 1.028 161 A HN 0.713 nan 8.150 nan 0.000 0.498 162 R N 2.461 122.687 120.500 -0.456 0.000 2.514 162 R HA 0.346 4.686 4.340 0.000 0.000 0.296 162 R C -0.935 175.277 176.300 -0.146 0.000 1.012 162 R CA -0.279 55.681 56.100 -0.233 0.000 0.897 162 R CB 1.292 31.488 30.300 -0.174 0.000 1.184 162 R HN 0.954 nan 8.270 nan 0.000 0.440 163 D N 1.195 121.538 120.400 -0.095 0.000 3.110 163 D HA -0.132 4.508 4.640 0.000 0.000 0.214 163 D C 0.520 176.811 176.300 -0.016 0.000 1.112 163 D CA 1.866 55.838 54.000 -0.046 0.000 0.927 163 D CB -1.003 39.775 40.800 -0.037 0.000 1.095 163 D HN 1.018 nan 8.370 nan 0.000 0.429 164 G N -1.520 107.272 108.800 -0.015 0.000 2.173 164 G HA2 0.365 4.325 3.960 0.000 0.000 0.142 164 G HA3 0.365 4.325 3.960 0.000 0.000 0.142 164 G C 1.391 176.392 174.900 0.168 0.000 1.019 164 G CA 0.799 45.934 45.100 0.059 0.000 0.699 164 G HN 1.515 nan 8.290 nan 0.000 0.495 165 G N -0.363 108.486 108.800 0.082 0.000 2.160 165 G HA2 -0.305 3.655 3.960 0.000 0.000 0.251 165 G HA3 -0.305 3.655 3.960 0.000 0.000 0.251 165 G C 0.934 175.976 174.900 0.237 0.000 1.008 165 G CA 1.129 46.323 45.100 0.158 0.000 0.724 165 G HN 0.891 nan 8.290 nan 0.000 0.514 166 R N -0.718 119.845 120.500 0.105 0.000 2.300 166 R HA 0.267 4.607 4.340 0.000 0.000 0.199 166 R C 1.132 177.481 176.300 0.081 0.000 0.920 166 R CA 0.553 56.711 56.100 0.097 0.000 1.046 166 R CB 0.498 30.831 30.300 0.056 0.000 0.984 166 R HN 0.399 nan 8.270 nan 0.000 0.493 167 R N -0.027 120.500 120.500 0.045 0.000 2.604 167 R HA 0.210 4.550 4.340 0.000 0.000 0.261 167 R C -1.920 174.347 176.300 -0.056 0.000 1.080 167 R CA -0.527 55.602 56.100 0.050 0.000 0.917 167 R CB 1.097 31.404 30.300 0.011 0.000 1.252 167 R HN -0.121 nan 8.270 nan 0.000 0.456 168 F N 2.313 122.228 119.950 -0.057 0.000 2.427 168 F HA 0.325 4.852 4.527 0.000 0.000 0.348 168 F C -0.263 175.489 175.800 -0.080 0.000 1.125 168 F CA -0.482 57.464 58.000 -0.089 0.000 0.989 168 F CB 1.692 40.612 39.000 -0.133 0.000 1.165 168 F HN 0.306 nan 8.300 nan 0.000 0.442 169 D N 4.540 124.940 120.400 0.000 0.000 2.280 169 D HA 0.152 4.792 4.640 0.000 0.000 0.243 169 D C -0.136 176.188 176.300 0.040 0.000 1.129 169 D CA -0.368 53.635 54.000 0.004 0.000 0.848 169 D CB 1.104 41.880 40.800 -0.040 0.000 1.107 169 D HN 0.383 nan 8.370 nan 0.000 0.471 170 K N 1.871 122.303 120.400 0.055 0.000 2.448 170 K HA 0.141 4.461 4.320 0.000 0.000 0.278 170 K C 0.458 177.081 176.600 0.038 0.000 1.009 170 K CA -0.204 56.133 56.287 0.082 0.000 0.995 170 K CB 0.843 33.398 32.500 0.090 0.000 0.917 170 K HN 0.272 nan 8.250 nan 0.000 0.481 171 L N 2.022 123.264 121.223 0.031 0.000 2.461 171 L HA -0.011 4.329 4.340 0.000 0.000 0.272 171 L C 0.586 177.457 176.870 0.002 0.000 1.197 171 L CA -0.127 54.715 54.840 0.003 0.000 0.836 171 L CB 0.250 42.305 42.059 -0.006 0.000 1.105 171 L HN 0.634 nan 8.230 nan 0.000 0.477 172 D N 2.756 123.153 120.400 -0.005 0.000 2.551 172 D HA 0.202 4.842 4.640 0.000 0.000 0.223 172 D C -0.393 175.903 176.300 -0.007 0.000 1.144 172 D CA 0.072 54.069 54.000 -0.005 0.000 1.025 172 D CB 0.104 40.900 40.800 -0.007 0.000 1.085 172 D HN 0.518 nan 8.370 nan 0.000 0.506 173 Q N -0.113 119.682 119.800 -0.008 0.000 2.829 173 Q HA 0.503 4.843 4.340 0.000 0.000 0.296 173 Q C -0.256 175.734 176.000 -0.016 0.000 0.893 173 Q CA -1.376 54.420 55.803 -0.010 0.000 0.772 173 Q CB 0.124 28.855 28.738 -0.013 0.000 1.489 173 Q HN 0.124 nan 8.270 nan 0.000 0.420 174 G N 0.720 109.512 108.800 -0.014 0.000 2.611 174 G HA2 0.493 4.453 3.960 0.000 0.000 0.273 174 G HA3 0.493 4.453 3.960 0.000 0.000 0.273 174 G C -2.221 172.656 174.900 -0.039 0.000 1.305 174 G CA -0.915 44.172 45.100 -0.022 0.000 1.010 174 G HN 0.613 nan 8.290 nan 0.000 0.509 175 P HA 0.027 nan 4.420 nan 0.000 0.269 175 P C 1.115 178.387 177.300 -0.047 0.000 1.215 175 P CA 0.019 63.064 63.100 -0.091 0.000 0.780 175 P CB 1.232 32.868 31.700 -0.106 0.000 0.898 176 V N -0.244 119.634 119.914 -0.059 0.000 3.461 176 V HA 0.183 4.303 4.120 0.000 0.000 0.267 176 V C 1.004 177.140 176.094 0.071 0.000 1.186 176 V CA 0.868 63.188 62.300 0.032 0.000 1.154 176 V CB -0.830 31.077 31.823 0.140 0.000 0.802 176 V HN 0.326 nan 8.190 nan 0.000 0.474 177 I N 0.977 121.522 120.570 -0.042 0.000 2.583 177 I HA 0.537 4.707 4.170 0.000 0.000 0.276 177 I C 0.861 176.985 176.117 0.012 0.000 1.089 177 I CA -0.159 61.128 61.300 -0.022 0.000 1.103 177 I CB 1.477 39.338 38.000 -0.231 0.000 1.209 177 I HN 0.057 nan 8.210 nan 0.000 0.484 178 A N 3.218 126.069 122.820 0.051 0.000 2.278 178 A HA 0.211 4.531 4.320 0.000 0.000 0.212 178 A C 0.195 177.798 177.584 0.031 0.000 1.213 178 A CA 0.683 52.743 52.037 0.038 0.000 0.840 178 A CB -0.219 18.804 19.000 0.039 0.000 0.866 178 A HN 0.655 nan 8.150 nan 0.000 0.489 179 D N -2.054 118.363 120.400 0.029 0.000 2.683 179 D HA 0.314 4.954 4.640 0.000 0.000 0.246 179 D C -0.670 175.419 176.300 -0.352 0.000 1.238 179 D CA -0.573 53.338 54.000 -0.148 0.000 0.759 179 D CB 0.525 41.206 40.800 -0.198 0.000 1.349 179 D HN 0.342 nan 8.370 nan 0.000 0.426 180 H N -0.685 117.949 119.070 -0.726 0.000 2.597 180 H HA 0.617 5.173 4.556 0.000 0.000 0.370 180 H C -2.352 172.505 175.328 -0.786 0.000 1.281 180 H CA -1.497 53.567 56.048 -1.639 0.000 1.422 180 H CB -0.919 27.852 29.762 -1.651 0.000 1.524 180 H HN 0.033 nan 8.280 nan 0.000 0.607 181 P HA -0.131 nan 4.420 nan 0.000 0.263 181 P C -0.512 176.795 177.300 0.011 0.000 1.168 181 P CA 0.374 63.288 63.100 -0.309 0.000 0.759 181 P CB 0.072 31.566 31.700 -0.343 0.000 0.782 182 F N 4.047 123.951 119.950 -0.076 0.000 2.593 182 F HA 0.130 4.657 4.527 0.000 0.000 0.393 182 F C 1.311 177.133 175.800 0.036 0.000 1.037 182 F CA 0.861 58.846 58.000 -0.025 0.000 1.195 182 F CB -0.516 38.485 39.000 0.001 0.000 1.034 182 F HN 0.640 nan 8.300 nan 0.000 0.552 183 A N 3.310 125.670 122.820 -0.766 0.000 2.910 183 A HA -0.229 4.091 4.320 0.000 0.000 0.267 183 A C 0.140 177.596 177.584 -0.213 0.000 1.310 183 A CA 0.980 52.662 52.037 -0.592 0.000 0.934 183 A CB -2.711 15.796 19.000 -0.822 0.000 1.057 183 A HN 0.645 nan 8.150 nan 0.000 0.742 184 V N 1.160 121.013 119.914 -0.102 0.000 2.432 184 V HA 0.304 4.424 4.120 0.000 0.000 0.271 184 V C 0.647 176.562 176.094 -0.299 0.000 1.046 184 V CA 0.430 62.654 62.300 -0.127 0.000 0.945 184 V CB 1.429 33.205 31.823 -0.077 0.000 0.992 184 V HN 0.477 nan 8.190 nan 0.000 0.471 185 D N 4.709 124.999 120.400 -0.183 0.000 2.608 185 D HA 0.146 4.786 4.640 0.000 0.000 0.224 185 D C 0.283 176.499 176.300 -0.139 0.000 1.123 185 D CA -0.194 53.708 54.000 -0.163 0.000 1.030 185 D CB 0.219 41.000 40.800 -0.032 0.000 1.093 185 D HN 0.465 nan 8.370 nan 0.000 0.497 186 V N 1.215 120.853 119.914 -0.460 0.000 2.963 186 V HA 0.240 4.360 4.120 0.000 0.000 0.306 186 V C 1.446 177.330 176.094 -0.350 0.000 1.077 186 V CA 0.412 62.477 62.300 -0.392 0.000 1.124 186 V CB 0.946 32.398 31.823 -0.618 0.000 0.987 186 V HN 0.445 nan 8.190 nan 0.000 0.487 187 T N 0.276 114.682 114.554 -0.247 0.000 3.035 187 T HA 0.579 4.929 4.350 0.000 0.000 0.259 187 T C 0.640 175.382 174.700 0.070 0.000 1.078 187 T CA 0.542 62.514 62.100 -0.214 0.000 1.132 187 T CB 0.049 68.780 68.868 -0.228 0.000 0.900 187 T HN 1.887 nan 8.240 nan 0.000 0.480 188 A N 0.275 123.133 122.820 0.063 0.000 2.577 188 A HA 0.647 4.967 4.320 0.000 0.000 0.297 188 A C -2.051 175.742 177.584 0.347 0.000 1.060 188 A CA -0.806 51.402 52.037 0.285 0.000 0.697 188 A CB 1.040 20.236 19.000 0.326 0.000 1.281 188 A HN 0.254 nan 8.150 nan 0.000 0.402 189 F N 2.814 122.880 119.950 0.193 0.000 2.809 189 F HA 0.623 5.150 4.527 0.000 0.000 0.369 189 F C 0.151 176.067 175.800 0.194 0.000 1.225 189 F CA -0.241 57.825 58.000 0.111 0.000 1.201 189 F CB 0.564 39.555 39.000 -0.016 0.000 1.527 189 F HN 0.884 nan 8.300 nan 0.000 0.565 190 R N 2.258 122.798 120.500 0.067 0.000 2.756 190 R HA 0.792 5.132 4.340 0.000 0.000 0.273 190 R C -0.446 175.902 176.300 0.081 0.000 1.030 190 R CA -0.821 55.316 56.100 0.061 0.000 0.887 190 R CB 0.704 31.169 30.300 0.275 0.000 1.274 190 R HN 0.897 nan 8.270 nan 0.000 0.461 191 A N -0.323 122.558 122.820 0.101 0.000 2.734 191 A HA -0.076 4.244 4.320 0.000 0.000 0.296 191 A C -2.045 175.607 177.584 0.113 0.000 1.474 191 A CA 0.308 52.412 52.037 0.112 0.000 0.735 191 A CB -1.814 17.260 19.000 0.123 0.000 1.062 191 A HN 0.625 nan 8.150 nan 0.000 0.463 192 P HA 0.382 nan 4.420 nan 0.000 0.265 192 P C -0.510 176.895 177.300 0.175 0.000 1.193 192 P CA 0.456 63.578 63.100 0.036 0.000 0.765 192 P CB 0.435 32.045 31.700 -0.151 0.000 0.823 193 F N 4.533 124.553 119.950 0.117 0.000 2.507 193 F HA 0.341 4.868 4.527 0.000 0.000 0.328 193 F C -0.479 175.529 175.800 0.347 0.000 1.136 193 F CA -0.908 57.219 58.000 0.212 0.000 0.930 193 F CB 1.552 40.703 39.000 0.252 0.000 1.166 193 F HN 0.190 nan 8.300 nan 0.000 0.436 194 V N 4.875 124.720 119.914 -0.115 0.000 2.539 194 V HA 0.805 4.925 4.120 0.000 0.000 0.292 194 V C -0.916 175.460 176.094 0.469 0.000 1.045 194 V CA -0.564 61.833 62.300 0.162 0.000 0.945 194 V CB 1.031 32.836 31.823 -0.030 0.000 0.993 194 V HN 0.781 nan 8.190 nan 0.000 0.464 195 F N 1.242 121.577 119.950 0.642 0.000 2.741 195 F HA 0.871 5.398 4.527 0.000 0.000 0.313 195 F C -0.741 175.357 175.800 0.497 0.000 1.153 195 F CA -1.443 56.940 58.000 0.637 0.000 0.931 195 F CB 1.681 41.078 39.000 0.661 0.000 1.335 195 F HN 0.515 nan 8.300 nan 0.000 0.460 196 R N 0.726 121.491 120.500 0.442 0.000 2.711 196 R HA 0.744 5.084 4.340 0.000 0.000 0.284 196 R C -1.422 174.999 176.300 0.202 0.000 0.968 196 R CA -1.195 55.020 56.100 0.193 0.000 0.924 196 R CB 2.073 32.342 30.300 -0.051 0.000 1.162 196 R HN 0.817 nan 8.270 nan 0.000 0.465 197 S N 0.685 116.391 115.700 0.011 0.000 2.720 197 S HA 0.370 4.840 4.470 0.000 0.000 0.278 197 S C 0.292 174.377 174.600 -0.859 0.000 1.172 197 S CA -0.276 57.552 58.200 -0.619 0.000 1.019 197 S CB 1.603 64.560 63.200 -0.405 0.000 1.049 197 S HN 0.749 nan 8.310 nan 0.000 0.483 198 A N 4.853 126.678 122.820 -1.658 0.000 1.902 198 A HA -0.057 4.263 4.320 0.000 0.000 0.217 198 A C 2.008 179.114 177.584 -0.797 0.000 1.181 198 A CA 1.670 52.495 52.037 -2.019 0.000 0.623 198 A CB -0.547 17.487 19.000 -1.611 0.000 0.818 198 A HN 0.867 nan 8.150 nan 0.000 0.443 199 R N -0.561 119.615 120.500 -0.541 0.000 2.115 199 R HA 0.041 4.381 4.340 0.000 0.000 0.230 199 R C 1.829 178.043 176.300 -0.143 0.000 1.111 199 R CA 1.044 56.996 56.100 -0.248 0.000 0.976 199 R CB -0.294 29.918 30.300 -0.147 0.000 0.870 199 R HN 0.530 nan 8.270 nan 0.000 0.445 200 L N 0.328 121.444 121.223 -0.178 0.000 2.156 200 L HA -0.131 4.209 4.340 0.000 0.000 0.208 200 L C 1.604 178.511 176.870 0.063 0.000 1.095 200 L CA 0.955 55.724 54.840 -0.118 0.000 0.770 200 L CB -0.277 41.470 42.059 -0.520 0.000 0.914 200 L HN 0.178 nan 8.230 nan 0.000 0.439 201 D N -0.384 120.076 120.400 0.100 0.000 2.097 201 D HA -0.138 4.503 4.640 0.000 0.000 0.197 201 D C 2.327 178.697 176.300 0.116 0.000 0.984 201 D CA 1.073 55.190 54.000 0.194 0.000 0.826 201 D CB -0.209 40.775 40.800 0.307 0.000 0.973 201 D HN 0.053 nan 8.370 nan 0.000 0.460 202 V N 1.117 121.061 119.914 0.051 0.000 2.295 202 V HA -0.211 3.909 4.120 0.000 0.000 0.246 202 V C 2.673 178.791 176.094 0.040 0.000 1.049 202 V CA 1.175 63.502 62.300 0.044 0.000 1.024 202 V CB -0.569 31.257 31.823 0.006 0.000 0.648 202 V HN 0.183 nan 8.190 nan 0.000 0.447 203 L N -0.734 120.506 121.223 0.028 0.000 2.079 203 L HA -0.189 4.151 4.340 0.000 0.000 0.210 203 L C 2.282 179.184 176.870 0.053 0.000 1.081 203 L CA 1.510 56.371 54.840 0.036 0.000 0.752 203 L CB -0.398 41.682 42.059 0.036 0.000 0.896 203 L HN 0.323 nan 8.230 nan 0.000 0.433 204 L N -1.315 119.953 121.223 0.075 0.000 2.375 204 L HA -0.036 4.304 4.340 0.000 0.000 0.215 204 L C 2.632 179.543 176.870 0.068 0.000 1.108 204 L CA 0.830 55.720 54.840 0.083 0.000 0.830 204 L CB -0.267 41.867 42.059 0.126 0.000 0.959 204 L HN 0.316 nan 8.230 nan 0.000 0.457 205 S N -0.591 115.150 115.700 0.068 0.000 2.439 205 S HA 0.105 4.575 4.470 0.000 0.000 0.224 205 S C 1.065 175.691 174.600 0.042 0.000 1.029 205 S CA -0.164 58.070 58.200 0.056 0.000 0.946 205 S CB -0.247 62.993 63.200 0.068 0.000 0.797 205 S HN 0.150 nan 8.310 nan 0.000 0.504 206 L N 1.876 123.123 121.223 0.041 0.000 2.464 206 L HA 0.275 4.615 4.340 0.000 0.000 0.224 206 L C 0.645 177.530 176.870 0.026 0.000 1.219 206 L CA -0.519 54.340 54.840 0.031 0.000 0.831 206 L CB 0.075 42.151 42.059 0.028 0.000 1.284 206 L HN 0.294 nan 8.230 nan 0.000 0.522 207 D N -0.426 119.986 120.400 0.021 0.000 2.414 207 D HA 0.018 4.658 4.640 0.000 0.000 0.251 207 D C 0.776 177.086 176.300 0.017 0.000 1.252 207 D CA -0.138 53.873 54.000 0.017 0.000 0.999 207 D CB 0.727 41.535 40.800 0.014 0.000 1.093 207 D HN 0.573 nan 8.370 nan 0.000 0.515 208 E N -0.009 120.200 120.200 0.015 0.000 2.140 208 E HA -0.080 4.270 4.350 0.000 0.000 0.191 208 E C 0.874 177.481 176.600 0.011 0.000 0.973 208 E CA 0.566 56.974 56.400 0.014 0.000 0.829 208 E CB 0.001 29.710 29.700 0.014 0.000 0.781 208 E HN 0.165 nan 8.360 nan 0.000 0.466 209 E N 0.483 120.689 120.200 0.009 0.000 2.479 209 E HA 0.065 4.415 4.350 0.000 0.000 0.193 209 E C 1.272 177.876 176.600 0.007 0.000 1.049 209 E CA 0.079 56.483 56.400 0.007 0.000 0.870 209 E CB 0.975 30.678 29.700 0.006 0.000 0.944 209 E HN 0.102 nan 8.360 nan 0.000 0.492 210 V N -0.630 119.289 119.914 0.009 0.000 3.379 210 V HA 0.201 4.321 4.120 0.000 0.000 0.249 210 V C 1.511 177.611 176.094 0.010 0.000 1.184 210 V CA 0.990 63.296 62.300 0.009 0.000 1.106 210 V CB 0.571 32.400 31.823 0.011 0.000 0.826 210 V HN 0.212 nan 8.190 nan 0.000 0.465 211 A N -0.154 122.673 122.820 0.012 0.000 2.359 211 A HA 0.177 4.497 4.320 0.000 0.000 0.240 211 A C 1.931 179.519 177.584 0.008 0.000 1.306 211 A CA 0.115 52.159 52.037 0.012 0.000 0.898 211 A CB -0.305 18.706 19.000 0.018 0.000 0.956 211 A HN 0.268 nan 8.150 nan 0.000 0.497 212 R N 1.320 121.823 120.500 0.005 0.000 2.062 212 R HA 0.024 4.364 4.340 0.000 0.000 0.218 212 R C 0.336 176.635 176.300 -0.003 0.000 1.161 212 R CA 0.623 56.723 56.100 0.000 0.000 0.994 212 R CB -0.948 29.352 30.300 -0.000 0.000 0.888 212 R HN 0.746 nan 8.270 nan 0.000 0.442 213 N N 3.026 121.725 118.700 -0.001 0.000 2.438 213 N HA -0.055 4.685 4.740 0.000 0.000 0.267 213 N C 0.006 175.515 175.510 -0.002 0.000 1.222 213 N CA 0.248 53.297 53.050 -0.002 0.000 0.930 213 N CB 0.870 39.357 38.487 -0.000 0.000 1.083 213 N HN 0.142 nan 8.380 nan 0.000 0.476 214 E N 1.369 121.565 120.200 -0.005 0.000 2.394 214 E HA -0.181 4.169 4.350 0.000 0.000 0.202 214 E C 0.731 177.330 176.600 -0.002 0.000 1.029 214 E CA 1.480 57.876 56.400 -0.006 0.000 0.855 214 E CB 0.029 29.723 29.700 -0.009 0.000 0.770 214 E HN 0.700 nan 8.360 nan 0.000 0.527 215 T N 0.188 114.742 114.554 0.000 0.000 2.770 215 T HA -0.057 4.293 4.350 0.000 0.000 0.258 215 T C 2.024 176.727 174.700 0.006 0.000 1.039 215 T CA 1.060 63.161 62.100 0.003 0.000 1.143 215 T CB -0.180 68.690 68.868 0.003 0.000 0.866 215 T HN 0.290 nan 8.240 nan 0.000 0.428 216 A N 1.085 123.909 122.820 0.007 0.000 1.930 216 A HA -0.001 4.319 4.320 0.000 0.000 0.217 216 A C 2.534 180.125 177.584 0.012 0.000 1.175 216 A CA 1.163 53.206 52.037 0.010 0.000 0.627 216 A CB -0.929 18.077 19.000 0.010 0.000 0.815 216 A HN 0.342 nan 8.150 nan 0.000 0.443 217 V N -0.296 119.623 119.914 0.008 0.000 2.244 217 V HA -0.276 3.844 4.120 0.000 0.000 0.244 217 V C 2.684 178.781 176.094 0.005 0.000 1.042 217 V CA 2.228 64.532 62.300 0.006 0.000 1.006 217 V CB -0.947 30.876 31.823 -0.000 0.000 0.641 217 V HN 0.630 nan 8.190 nan 0.000 0.446 218 Q N 0.546 120.347 119.800 0.002 0.000 2.096 218 Q HA -0.283 4.057 4.340 0.000 0.000 0.208 218 Q C 2.216 178.224 176.000 0.014 0.000 0.993 218 Q CA 2.163 57.968 55.803 0.003 0.000 0.862 218 Q CB -0.541 28.199 28.738 0.003 0.000 0.915 218 Q HN 0.733 nan 8.270 nan 0.000 0.416 219 Q N -1.016 118.794 119.800 0.017 0.000 2.181 219 Q HA -0.148 4.192 4.340 0.000 0.000 0.205 219 Q C 1.929 177.949 176.000 0.034 0.000 0.980 219 Q CA 1.459 57.276 55.803 0.023 0.000 0.862 219 Q CB -0.251 28.499 28.738 0.019 0.000 0.905 219 Q HN 0.504 nan 8.270 nan 0.000 0.429 220 A N 0.154 122.996 122.820 0.035 0.000 1.898 220 A HA -0.063 4.257 4.320 0.000 0.000 0.214 220 A C 2.312 179.943 177.584 0.077 0.000 1.183 220 A CA 0.790 52.859 52.037 0.053 0.000 0.622 220 A CB -0.477 18.552 19.000 0.048 0.000 0.824 220 A HN 0.191 nan 8.150 nan 0.000 0.444 221 V N 1.294 121.237 119.914 0.049 0.000 2.392 221 V HA -0.285 3.835 4.120 0.000 0.000 0.249 221 V C 1.927 178.082 176.094 0.100 0.000 1.059 221 V CA 2.241 64.567 62.300 0.042 0.000 1.051 221 V CB -0.878 30.925 31.823 -0.034 0.000 0.658 221 V HN 0.533 nan 8.190 nan 0.000 0.455 222 D N 0.667 121.112 120.400 0.075 0.000 2.221 222 D HA -0.124 4.516 4.640 0.000 0.000 0.204 222 D C 2.078 178.440 176.300 0.104 0.000 0.982 222 D CA 1.681 55.729 54.000 0.080 0.000 0.857 222 D CB -0.134 40.697 40.800 0.052 0.000 0.934 222 D HN 0.569 nan 8.370 nan 0.000 0.475 223 G N -0.296 108.573 108.800 0.115 0.000 2.662 223 G HA2 -0.087 3.873 3.960 0.000 0.000 0.212 223 G HA3 -0.087 3.873 3.960 0.000 0.000 0.212 223 G C 0.325 175.306 174.900 0.135 0.000 1.141 223 G CA -0.565 44.595 45.100 0.100 0.000 0.797 223 G HN 0.152 nan 8.290 nan 0.000 0.531 224 W N 3.361 124.654 121.300 -0.012 0.000 2.470 224 W HA 0.216 4.876 4.660 -0.000 0.000 0.341 224 W C 0.107 176.614 176.519 -0.020 0.000 1.199 224 W CA 1.002 58.335 57.345 -0.019 0.000 1.339 224 W CB 0.511 29.955 29.460 -0.027 0.000 1.178 224 W HN 0.033 nan 8.180 nan 0.000 0.578 225 T N 3.959 118.011 114.554 -0.837 0.000 2.906 225 T HA 0.097 4.447 4.350 0.000 0.000 0.302 225 T C 0.551 174.457 174.700 -1.325 0.000 1.002 225 T CA -0.833 60.796 62.100 -0.785 0.000 0.988 225 T CB 1.692 70.316 68.868 -0.407 0.000 0.972 225 T HN 0.638 nan 8.240 nan 0.000 0.447 226 E N 2.740 122.174 120.200 -1.278 0.000 2.097 226 E HA -0.193 4.157 4.350 0.000 0.000 0.196 226 E C 1.358 177.669 176.600 -0.482 0.000 1.000 226 E CA 1.449 57.269 56.400 -0.967 0.000 0.804 226 E CB 0.032 29.585 29.700 -0.245 0.000 0.740 226 E HN 0.719 nan 8.360 nan 0.000 0.454 227 K N -0.005 120.202 120.400 -0.323 0.000 2.442 227 K HA -0.131 4.189 4.320 0.000 0.000 0.198 227 K C 0.789 177.291 176.600 -0.163 0.000 1.044 227 K CA 1.300 57.484 56.287 -0.171 0.000 0.948 227 K CB -0.096 32.340 32.500 -0.108 0.000 0.762 227 K HN 0.159 nan 8.250 nan 0.000 0.472 228 N N -0.546 118.000 118.700 -0.256 0.000 2.118 228 N HA 0.120 4.860 4.740 0.000 0.000 0.226 228 N C -0.534 174.841 175.510 -0.225 0.000 1.305 228 N CA -0.211 52.724 53.050 -0.191 0.000 0.890 228 N CB 0.825 39.209 38.487 -0.171 0.000 1.118 228 N HN 0.017 nan 8.380 nan 0.000 0.511 229 A N 2.048 124.675 122.820 -0.322 0.000 2.445 229 A HA 0.411 4.731 4.320 0.000 0.000 0.242 229 A C -2.060 175.381 177.584 -0.238 0.000 1.075 229 A CA -0.802 51.096 52.037 -0.231 0.000 0.777 229 A CB 0.082 19.003 19.000 -0.131 0.000 1.013 229 A HN 0.053 nan 8.150 nan 0.000 0.493 230 P HA 0.221 nan 4.420 nan 0.000 0.276 230 P C -1.141 175.944 177.300 -0.359 0.000 1.261 230 P CA -0.371 62.580 63.100 -0.249 0.000 0.800 230 P CB 0.535 32.081 31.700 -0.258 0.000 1.066 231 W N -0.174 121.009 121.300 -0.195 0.000 2.496 231 W HA 0.401 5.061 4.660 0.000 0.000 0.327 231 W C -0.131 176.225 176.519 -0.270 0.000 1.086 231 W CA 0.036 57.324 57.345 -0.095 0.000 1.222 231 W CB 0.632 30.198 29.460 0.175 0.000 1.304 231 W HN 0.276 nan 8.180 nan 0.000 0.547 232 Y N 1.158 121.452 120.300 -0.009 0.000 2.457 232 Y HA 0.619 5.169 4.550 0.000 0.000 0.333 232 Y C -0.037 175.756 175.900 -0.179 0.000 1.119 232 Y CA -1.149 56.765 58.100 -0.310 0.000 1.143 232 Y CB 1.342 39.111 38.460 -1.152 0.000 1.230 232 Y HN -0.042 nan 8.280 nan 0.000 0.469 233 V N 2.174 122.216 119.914 0.213 0.000 2.525 233 V HA 0.705 4.825 4.120 0.000 0.000 0.299 233 V C -0.671 175.661 176.094 0.396 0.000 1.034 233 V CA -1.069 61.377 62.300 0.242 0.000 0.863 233 V CB 1.429 33.266 31.823 0.023 0.000 0.999 233 V HN 0.851 nan 8.190 nan 0.000 0.423 234 A N 4.959 128.063 122.820 0.473 0.000 2.258 234 A HA 0.827 5.147 4.320 0.000 0.000 0.316 234 A C -0.611 177.200 177.584 0.378 0.000 1.279 234 A CA -0.465 51.836 52.037 0.441 0.000 0.876 234 A CB 1.063 20.329 19.000 0.444 0.000 1.170 234 A HN 0.673 nan 8.150 nan 0.000 0.520 235 V N 2.484 122.654 119.914 0.427 0.000 2.483 235 V HA 0.438 4.558 4.120 0.000 0.000 0.295 235 V C 0.477 176.855 176.094 0.472 0.000 1.035 235 V CA -0.359 62.129 62.300 0.313 0.000 0.896 235 V CB 1.768 33.658 31.823 0.111 0.000 0.986 235 V HN 0.894 nan 8.190 nan 0.000 0.447 236 S N 2.431 118.334 115.700 0.338 0.000 2.578 236 S HA 0.909 5.379 4.470 0.000 0.000 0.283 236 S C 0.533 175.387 174.600 0.423 0.000 1.195 236 S CA 0.333 58.735 58.200 0.336 0.000 1.050 236 S CB 1.653 64.985 63.200 0.221 0.000 1.012 236 S HN 1.270 nan 8.310 nan 0.000 0.511 237 G N 0.701 109.712 108.800 0.353 0.000 2.600 237 G HA2 0.589 4.549 3.960 0.000 0.000 0.103 237 G HA3 0.589 4.549 3.960 0.000 0.000 0.103 237 G C -0.440 174.500 174.900 0.066 0.000 1.090 237 G CA 0.098 45.398 45.100 0.335 0.000 1.090 237 G HN 1.206 nan 8.290 nan 0.000 0.500 238 G N -2.154 106.708 108.800 0.103 0.000 2.340 238 G HA2 0.616 4.576 3.960 0.000 0.000 0.299 238 G HA3 0.616 4.576 3.960 0.000 0.000 0.299 238 G C -2.134 172.762 174.900 -0.006 0.000 1.291 238 G CA 0.403 45.428 45.100 -0.124 0.000 0.841 238 G HN 1.476 nan 8.290 nan 0.000 0.500 239 V N 1.097 120.951 119.914 -0.100 0.000 2.577 239 V HA 0.400 4.520 4.120 0.000 0.000 0.303 239 V C -0.441 175.617 176.094 -0.060 0.000 1.042 239 V CA -1.028 61.239 62.300 -0.054 0.000 0.872 239 V CB 1.499 33.318 31.823 -0.007 0.000 0.998 239 V HN 0.745 nan 8.190 nan 0.000 0.423 240 H N 3.648 122.711 119.070 -0.011 0.000 3.157 240 H HA 0.152 4.708 4.556 0.000 0.000 0.299 240 H C 1.363 176.700 175.328 0.015 0.000 0.961 240 H CA 1.833 57.900 56.048 0.030 0.000 1.428 240 H CB 0.574 30.357 29.762 0.034 0.000 1.459 240 H HN 1.133 nan 8.280 nan 0.000 0.566 241 G N 2.460 111.337 108.800 0.128 0.000 2.194 241 G HA2 -0.279 3.681 3.960 0.000 0.000 0.236 241 G HA3 -0.279 3.681 3.960 0.000 0.000 0.236 241 G C 0.724 175.634 174.900 0.017 0.000 0.987 241 G CA 0.323 45.471 45.100 0.080 0.000 0.635 241 G HN 0.529 nan 8.290 nan 0.000 0.520 242 V N -0.799 119.103 119.914 -0.020 0.000 3.102 242 V HA 0.736 4.856 4.120 0.000 0.000 0.225 242 V C 1.286 177.305 176.094 -0.126 0.000 1.301 242 V CA 1.496 63.761 62.300 -0.058 0.000 1.308 242 V CB 0.694 32.491 31.823 -0.044 0.000 1.129 242 V HN 1.942 nan 8.190 nan 0.000 0.502 243 G N 0.579 109.275 108.800 -0.173 0.000 2.352 243 G HA2 0.271 4.231 3.960 0.000 0.000 0.302 243 G HA3 0.271 4.231 3.960 0.000 0.000 0.302 243 G C -3.373 171.279 174.900 -0.414 0.000 1.370 243 G CA -0.352 44.571 45.100 -0.295 0.000 0.918 243 G HN 0.062 nan 8.290 nan 0.000 0.610 244 P HA 0.613 nan 4.420 nan 0.000 0.275 244 P C -0.032 176.655 177.300 -1.021 0.000 1.266 244 P CA 0.746 63.288 63.100 -0.930 0.000 0.793 244 P CB 1.623 32.434 31.700 -1.482 0.000 1.074 245 A N -0.569 121.659 122.820 -0.986 0.000 2.481 245 A HA 0.367 4.687 4.320 0.000 0.000 0.295 245 A C -1.786 175.568 177.584 -0.382 0.000 0.986 245 A CA -0.616 51.019 52.037 -0.671 0.000 0.617 245 A CB 0.447 19.093 19.000 -0.590 0.000 1.364 245 A HN 0.497 nan 8.150 nan 0.000 0.452 246 Q N -0.095 119.594 119.800 -0.185 0.000 2.337 246 Q HA 0.650 4.990 4.340 0.000 0.000 0.266 246 Q C -1.739 174.283 176.000 0.036 0.000 1.023 246 Q CA -0.325 55.519 55.803 0.069 0.000 0.829 246 Q CB 2.033 31.087 28.738 0.527 0.000 1.306 246 Q HN 0.533 nan 8.270 nan 0.000 0.449 247 F N 1.932 122.187 119.950 0.509 0.000 2.415 247 F HA 0.377 4.904 4.527 0.000 0.000 0.348 247 F C -0.237 175.869 175.800 0.510 0.000 1.119 247 F CA -0.888 57.461 58.000 0.582 0.000 1.069 247 F CB 0.691 40.142 39.000 0.752 0.000 1.124 247 F HN 0.290 nan 8.300 nan 0.000 0.472 248 L N 4.911 126.384 121.223 0.416 0.000 2.309 248 L HA 0.584 4.924 4.340 0.000 0.000 0.282 248 L C -1.348 175.583 176.870 0.102 0.000 1.036 248 L CA -0.620 54.341 54.840 0.201 0.000 0.806 248 L CB 0.612 42.622 42.059 -0.081 0.000 1.220 248 L HN 0.539 nan 8.230 nan 0.000 0.429 249 Y N 3.361 123.867 120.300 0.342 0.000 2.705 249 Y HA 0.805 5.355 4.550 0.000 0.000 0.332 249 Y C -0.420 175.693 175.900 0.354 0.000 1.157 249 Y CA -1.095 57.240 58.100 0.393 0.000 1.091 249 Y CB 1.765 40.478 38.460 0.421 0.000 1.301 249 Y HN 0.599 nan 8.280 nan 0.000 0.488 250 R N -0.490 120.333 120.500 0.537 0.000 2.709 250 R HA 0.321 4.662 4.340 0.000 0.000 0.270 250 R C -2.063 174.326 176.300 0.148 0.000 1.038 250 R CA -1.098 55.157 56.100 0.258 0.000 0.872 250 R CB 0.999 31.189 30.300 -0.184 0.000 1.259 250 R HN 0.656 nan 8.270 nan 0.000 0.473 251 Q N 1.842 121.525 119.800 -0.195 0.000 2.308 251 Q HA -0.073 4.267 4.340 0.000 0.000 0.313 251 Q C -0.313 175.492 176.000 -0.324 0.000 1.075 251 Q CA 0.372 55.799 55.803 -0.626 0.000 0.995 251 Q CB 0.217 28.587 28.738 -0.613 0.000 1.107 251 Q HN 0.432 nan 8.270 nan 0.000 0.380 252 N N 1.244 119.765 118.700 -0.298 0.000 2.294 252 N HA -0.068 4.672 4.740 0.000 0.000 0.263 252 N C 0.920 176.363 175.510 -0.111 0.000 1.281 252 N CA 1.675 54.657 53.050 -0.113 0.000 0.846 252 N CB 0.198 38.657 38.487 -0.047 0.000 1.061 252 N HN 0.782 nan 8.380 nan 0.000 0.478 253 G N 2.211 110.976 108.800 -0.058 0.000 2.196 253 G HA2 -0.225 3.735 3.960 0.000 0.000 0.268 253 G HA3 -0.225 3.735 3.960 0.000 0.000 0.268 253 G C 0.850 175.708 174.900 -0.069 0.000 0.975 253 G CA 0.700 45.768 45.100 -0.053 0.000 0.648 253 G HN 1.765 nan 8.290 nan 0.000 0.538 254 G N -1.006 107.730 108.800 -0.106 0.000 2.160 254 G HA2 -0.195 3.765 3.960 0.000 0.000 0.244 254 G HA3 -0.195 3.765 3.960 0.000 0.000 0.244 254 G C -0.047 174.765 174.900 -0.147 0.000 1.022 254 G CA 0.835 45.861 45.100 -0.125 0.000 0.741 254 G HN 1.721 nan 8.290 nan 0.000 0.508 255 N N 0.421 119.009 118.700 -0.187 0.000 2.462 255 N HA 0.610 5.350 4.740 0.000 0.000 0.242 255 N C 1.374 176.717 175.510 -0.278 0.000 1.010 255 N CA 0.422 53.353 53.050 -0.199 0.000 0.939 255 N CB 0.874 39.252 38.487 -0.182 0.000 1.127 255 N HN 0.537 nan 8.380 nan 0.000 0.509 256 A N 2.573 125.263 122.820 -0.218 0.000 2.186 256 A HA -0.087 4.233 4.320 0.000 0.000 0.219 256 A C 1.648 179.033 177.584 -0.332 0.000 1.159 256 A CA 1.269 53.184 52.037 -0.203 0.000 0.680 256 A CB -0.193 18.746 19.000 -0.102 0.000 0.787 256 A HN 0.612 nan 8.150 nan 0.000 0.467 257 S N -1.011 114.484 115.700 -0.342 0.000 2.556 257 S HA 0.106 4.576 4.470 0.000 0.000 0.216 257 S C 0.459 174.717 174.600 -0.571 0.000 0.970 257 S CA -0.026 57.959 58.200 -0.358 0.000 0.912 257 S CB 0.089 63.199 63.200 -0.151 0.000 0.790 257 S HN 0.633 nan 8.310 nan 0.000 0.504 258 E N 0.655 120.449 120.200 -0.678 0.000 2.089 258 E HA 0.323 4.673 4.350 0.000 0.000 0.284 258 E C -0.464 175.570 176.600 -0.944 0.000 1.023 258 E CA -0.215 55.811 56.400 -0.623 0.000 0.819 258 E CB 0.124 29.561 29.700 -0.439 0.000 1.076 258 E HN 0.147 nan 8.360 nan 0.000 0.396 259 F N 2.636 122.415 119.950 -0.284 0.000 2.682 259 F HA 0.213 4.740 4.527 0.000 0.000 0.308 259 F C 1.735 177.506 175.800 -0.049 0.000 1.093 259 F CA -0.255 57.639 58.000 -0.177 0.000 1.244 259 F CB 0.355 39.363 39.000 0.013 0.000 1.052 259 F HN 0.452 nan 8.300 nan 0.000 0.573 260 Q N -0.128 119.593 119.800 -0.132 0.000 2.107 260 Q HA 0.060 4.400 4.340 0.000 0.000 0.195 260 Q C -0.451 175.310 176.000 -0.398 0.000 0.964 260 Q CA 1.366 56.993 55.803 -0.292 0.000 0.833 260 Q CB 0.024 28.394 28.738 -0.615 0.000 0.910 260 Q HN 0.292 nan 8.270 nan 0.000 0.465 261 Y N -0.769 119.457 120.300 -0.124 0.000 2.330 261 Y HA 0.392 4.942 4.550 0.000 0.000 0.336 261 Y C -1.151 174.557 175.900 -0.320 0.000 1.036 261 Y CA -1.018 57.040 58.100 -0.070 0.000 1.125 261 Y CB 0.770 39.203 38.460 -0.044 0.000 1.194 261 Y HN 0.041 nan 8.280 nan 0.000 0.469 262 W N 3.220 124.674 121.300 0.256 0.000 2.393 262 W HA 0.398 5.058 4.660 0.000 0.000 0.315 262 W C -0.461 176.265 176.519 0.345 0.000 1.009 262 W CA -1.220 56.273 57.345 0.248 0.000 1.313 262 W CB 0.767 30.355 29.460 0.213 0.000 1.269 262 W HN 0.496 nan 8.180 nan 0.000 0.420 263 E N 2.063 122.488 120.200 0.375 0.000 2.366 263 E HA -0.031 4.319 4.350 0.000 0.000 0.266 263 E C -0.648 176.187 176.600 0.392 0.000 1.015 263 E CA -0.570 56.023 56.400 0.321 0.000 0.906 263 E CB 0.753 30.550 29.700 0.163 0.000 0.979 263 E HN 0.414 nan 8.360 nan 0.000 0.443 264 Y N 4.410 124.828 120.300 0.196 0.000 2.465 264 Y HA 0.067 4.617 4.550 0.000 0.000 0.331 264 Y C 0.163 176.030 175.900 -0.055 0.000 1.102 264 Y CA -0.487 57.536 58.100 -0.129 0.000 1.358 264 Y CB 0.600 39.007 38.460 -0.089 0.000 1.213 264 Y HN 0.657 nan 8.280 nan 0.000 0.525 265 L N 5.641 126.594 121.223 -0.449 0.000 2.616 265 L HA 0.352 4.692 4.340 0.000 0.000 0.229 265 L C 1.087 177.643 176.870 -0.523 0.000 1.110 265 L CA 0.480 55.125 54.840 -0.324 0.000 0.884 265 L CB -0.506 41.527 42.059 -0.043 0.000 1.115 265 L HN 1.013 nan 8.230 nan 0.000 0.481 266 G N 0.626 108.680 108.800 -1.243 0.000 2.498 266 G HA2 -0.173 3.787 3.960 0.000 0.000 0.651 266 G HA3 -0.173 3.787 3.960 0.000 0.000 0.651 266 G C -0.560 174.312 174.900 -0.046 0.000 1.284 266 G CA -0.823 43.833 45.100 -0.739 0.000 0.950 266 G HN 0.152 nan 8.290 nan 0.000 0.511 267 E N 1.408 121.707 120.200 0.165 0.000 1.979 267 E HA 0.116 4.466 4.350 0.000 0.000 0.285 267 E C 1.441 178.204 176.600 0.272 0.000 1.188 267 E CA -0.342 56.191 56.400 0.222 0.000 1.214 267 E CB -0.079 29.692 29.700 0.119 0.000 1.210 267 E HN 0.567 nan 8.360 nan 0.000 0.477 268 W N 2.506 123.863 121.300 0.095 0.000 2.336 268 W HA -0.177 4.483 4.660 -0.000 0.000 0.277 268 W C -0.318 176.357 176.519 0.261 0.000 1.211 268 W CA 0.536 57.966 57.345 0.142 0.000 1.187 268 W CB -0.317 29.237 29.460 0.158 0.000 1.132 268 W HN 0.363 nan 8.180 nan 0.000 0.562 269 W N 3.195 124.357 121.300 -0.230 0.000 3.211 269 W HA 0.423 5.083 4.660 0.000 0.000 0.335 269 W C -1.272 175.141 176.519 -0.177 0.000 1.113 269 W CA -1.802 55.329 57.345 -0.356 0.000 1.235 269 W CB 0.206 29.291 29.460 -0.625 0.000 1.365 269 W HN 0.139 nan 8.180 nan 0.000 0.476 270 Q N 3.637 123.319 119.800 -0.197 0.000 2.482 270 Q HA 0.716 5.056 4.340 0.000 0.000 0.286 270 Q C -1.356 174.362 176.000 -0.470 0.000 1.007 270 Q CA -0.920 54.597 55.803 -0.477 0.000 0.801 270 Q CB 3.263 31.831 28.738 -0.284 0.000 1.455 270 Q HN 0.325 nan 8.270 nan 0.000 0.398 271 E N 0.303 120.140 120.200 -0.606 0.000 2.408 271 E HA 0.612 4.962 4.350 0.000 0.000 0.275 271 E C -1.181 175.220 176.600 -0.332 0.000 0.935 271 E CA -0.832 55.306 56.400 -0.437 0.000 0.775 271 E CB 2.255 31.563 29.700 -0.654 0.000 1.277 271 E HN 0.784 nan 8.360 nan 0.000 0.455 272 A N 1.072 123.786 122.820 -0.178 0.000 2.407 272 A HA 0.333 4.653 4.320 0.000 0.000 0.248 272 A C 0.197 177.652 177.584 -0.215 0.000 1.082 272 A CA -0.129 51.809 52.037 -0.165 0.000 0.785 272 A CB -0.219 18.724 19.000 -0.095 0.000 1.020 272 A HN 0.488 nan 8.150 nan 0.000 0.489 273 T N 2.569 116.967 114.554 -0.260 0.000 2.830 273 T HA -0.044 4.306 4.350 0.000 0.000 0.282 273 T C 1.039 175.462 174.700 -0.462 0.000 1.024 273 T CA 1.410 63.270 62.100 -0.401 0.000 1.144 273 T CB -0.319 68.362 68.868 -0.312 0.000 1.035 273 T HN 0.952 nan 8.240 nan 0.000 0.507 274 N N 1.218 119.489 118.700 -0.716 0.000 2.693 274 N HA -0.218 4.522 4.740 0.000 0.000 0.250 274 N C 0.318 175.664 175.510 -0.273 0.000 1.033 274 N CA 0.888 53.574 53.050 -0.606 0.000 0.747 274 N CB -0.798 37.213 38.487 -0.792 0.000 0.964 274 N HN 0.808 nan 8.380 nan 0.000 0.540 275 S N -1.886 113.734 115.700 -0.134 0.000 2.646 275 S HA 0.806 5.276 4.470 0.000 0.000 0.273 275 S C 0.274 174.864 174.600 -0.018 0.000 1.168 275 S CA 0.079 58.272 58.200 -0.012 0.000 1.013 275 S CB 1.893 65.151 63.200 0.096 0.000 1.098 275 S HN 0.900 nan 8.310 nan 0.000 0.544 276 S N -1.335 114.338 115.700 -0.045 0.000 2.578 276 S HA 0.322 4.792 4.470 0.000 0.000 0.272 276 S C -1.295 173.181 174.600 -0.206 0.000 1.145 276 S CA -0.997 56.948 58.200 -0.425 0.000 0.835 276 S CB 0.170 63.167 63.200 -0.339 0.000 1.104 276 S HN 0.973 nan 8.310 nan 0.000 0.458 277 W N 2.763 123.679 121.300 -0.640 0.000 2.264 277 W HA 0.421 5.081 4.660 -0.000 0.000 0.331 277 W C 0.674 177.109 176.519 -0.141 0.000 1.364 277 W CA 1.971 59.171 57.345 -0.242 0.000 1.253 277 W CB -0.014 29.236 29.460 -0.348 0.000 1.215 277 W HN 1.730 nan 8.180 nan 0.000 0.561 278 G N 4.667 113.090 108.800 -0.628 0.000 2.787 278 G HA2 -0.282 3.678 3.960 0.000 0.000 0.685 278 G HA3 -0.282 3.678 3.960 0.000 0.000 0.685 278 G C 0.362 175.131 174.900 -0.219 0.000 1.437 278 G CA -0.150 44.684 45.100 -0.444 0.000 0.872 278 G HN 0.620 nan 8.290 nan 0.000 0.566 279 D N 0.617 120.920 120.400 -0.162 0.000 2.178 279 D HA -0.050 4.590 4.640 0.000 0.000 0.202 279 D C 1.771 178.030 176.300 -0.069 0.000 0.974 279 D CA 1.790 55.729 54.000 -0.101 0.000 0.841 279 D CB 0.246 40.999 40.800 -0.078 0.000 0.953 279 D HN 0.768 nan 8.370 nan 0.000 0.478 280 E N -0.307 119.861 120.200 -0.053 0.000 2.693 280 E HA 0.316 4.666 4.350 0.000 0.000 0.214 280 E C 0.486 177.064 176.600 -0.037 0.000 0.990 280 E CA -0.234 56.143 56.400 -0.038 0.000 1.047 280 E CB 1.081 30.768 29.700 -0.022 0.000 1.039 280 E HN 0.053 nan 8.360 nan 0.000 0.475 281 G N 2.050 110.821 108.800 -0.048 0.000 2.372 281 G HA2 -0.306 3.654 3.960 0.000 0.000 0.290 281 G HA3 -0.306 3.654 3.960 0.000 0.000 0.290 281 G C 0.588 175.490 174.900 0.004 0.000 0.965 281 G CA 0.952 46.026 45.100 -0.044 0.000 1.263 281 G HN 0.272 nan 8.290 nan 0.000 0.498 282 T N -1.447 113.119 114.554 0.019 0.000 3.033 282 T HA 0.102 4.452 4.350 0.000 0.000 0.248 282 T C 1.819 176.436 174.700 -0.138 0.000 1.040 282 T CA 1.438 63.475 62.100 -0.105 0.000 1.133 282 T CB 0.023 68.755 68.868 -0.226 0.000 0.895 282 T HN 0.556 nan 8.240 nan 0.000 0.465 283 W N 1.340 122.814 121.300 0.290 0.000 2.907 283 W HA 0.620 5.280 4.660 0.000 0.000 0.271 283 W C 1.219 177.929 176.519 0.317 0.000 1.253 283 W CA -0.152 57.445 57.345 0.420 0.000 1.501 283 W CB 0.630 30.268 29.460 0.297 0.000 1.047 283 W HN 0.097 nan 8.180 nan 0.000 0.610 284 A N 0.101 123.054 122.820 0.222 0.000 3.292 284 A HA 0.620 4.940 4.320 0.000 0.000 0.231 284 A C 0.796 178.034 177.584 -0.577 0.000 0.952 284 A CA 0.103 51.928 52.037 -0.352 0.000 1.044 284 A CB -0.769 17.903 19.000 -0.546 0.000 1.236 284 A HN 0.367 nan 8.150 nan 0.000 0.525 285 G N 1.151 109.833 108.800 -0.197 0.000 2.582 285 G HA2 -0.264 3.696 3.960 0.000 0.000 0.300 285 G HA3 -0.264 3.696 3.960 0.000 0.000 0.300 285 G C 0.021 174.730 174.900 -0.317 0.000 1.300 285 G CA 0.541 45.562 45.100 -0.133 0.000 0.959 285 G HN 0.901 nan 8.290 nan 0.000 0.548 286 R N -1.298 119.025 120.500 -0.294 0.000 2.711 286 R HA 0.413 4.753 4.340 0.000 0.000 0.284 286 R C 0.687 176.807 176.300 -0.300 0.000 0.968 286 R CA -0.633 55.255 56.100 -0.354 0.000 0.924 286 R CB 1.327 31.508 30.300 -0.199 0.000 1.162 286 R HN 0.622 nan 8.270 nan 0.000 0.465 287 W N 1.384 122.638 121.300 -0.078 0.000 2.611 287 W HA -0.035 4.625 4.660 -0.000 0.000 0.251 287 W C 1.403 177.830 176.519 -0.153 0.000 1.265 287 W CA 0.633 57.965 57.345 -0.022 0.000 1.295 287 W CB -0.076 29.352 29.460 -0.054 0.000 1.129 287 W HN 1.021 nan 8.180 nan 0.000 0.630 288 G N 0.909 109.647 108.800 -0.104 0.000 2.578 288 G HA2 -0.372 3.588 3.960 0.000 0.000 0.275 288 G HA3 -0.372 3.588 3.960 0.000 0.000 0.275 288 G C -0.065 174.460 174.900 -0.625 0.000 1.271 288 G CA 0.526 45.438 45.100 -0.313 0.000 0.941 288 G HN 0.216 nan 8.290 nan 0.000 0.564 289 F N 1.171 120.736 119.950 -0.642 0.000 2.749 289 F HA 0.418 4.945 4.527 0.000 0.000 0.300 289 F C 1.119 176.456 175.800 -0.772 0.000 1.103 289 F CA 0.699 58.160 58.000 -0.898 0.000 1.342 289 F CB 0.507 38.393 39.000 -1.857 0.000 1.098 289 F HN 0.568 nan 8.300 nan 0.000 0.586 290 N N -1.173 117.265 118.700 -0.436 0.000 2.710 290 N HA 0.219 4.959 4.740 0.000 0.000 0.257 290 N C -1.764 173.744 175.510 -0.003 0.000 1.140 290 N CA -0.422 52.476 53.050 -0.254 0.000 0.953 290 N CB 0.862 39.268 38.487 -0.135 0.000 1.664 290 N HN -0.298 nan 8.380 nan 0.000 0.497 291 F N 1.411 121.277 119.950 -0.140 0.000 2.394 291 F HA 0.484 5.011 4.527 0.000 0.000 0.340 291 F C 0.582 176.361 175.800 -0.035 0.000 1.105 291 F CA -0.397 57.521 58.000 -0.137 0.000 1.124 291 F CB 1.066 39.919 39.000 -0.246 0.000 1.145 291 F HN 0.348 nan 8.300 nan 0.000 0.505 292 E N 0.069 120.345 120.200 0.127 0.000 2.317 292 E HA 0.315 4.665 4.350 0.000 0.000 0.270 292 E C -0.374 176.212 176.600 -0.022 0.000 0.885 292 E CA -0.663 55.779 56.400 0.070 0.000 0.760 292 E CB 2.046 31.779 29.700 0.055 0.000 1.227 292 E HN 0.653 nan 8.360 nan 0.000 0.434 293 T N -1.088 113.479 114.554 0.022 0.000 3.795 293 T HA -0.191 4.159 4.350 0.000 0.000 0.370 293 T C 0.412 175.088 174.700 -0.041 0.000 0.761 293 T CA 0.285 62.390 62.100 0.008 0.000 1.923 293 T CB -2.223 66.630 68.868 -0.025 0.000 1.795 293 T HN 0.738 nan 8.240 nan 0.000 0.762 294 G N 0.754 109.540 108.800 -0.022 0.000 2.491 294 G HA2 0.460 4.420 3.960 0.000 0.000 0.238 294 G HA3 0.460 4.420 3.960 0.000 0.000 0.238 294 G C -0.112 174.604 174.900 -0.307 0.000 1.277 294 G CA -0.529 44.511 45.100 -0.101 0.000 0.851 294 G HN 0.686 nan 8.290 nan 0.000 0.573 295 N N -0.373 118.037 118.700 -0.484 0.000 2.352 295 N HA 0.427 5.168 4.740 0.000 0.000 0.291 295 N C -0.806 174.290 175.510 -0.689 0.000 1.040 295 N CA -0.459 51.959 53.050 -1.054 0.000 0.864 295 N CB 2.392 40.463 38.487 -0.693 0.000 1.440 295 N HN 0.250 nan 8.380 nan 0.000 0.483 296 V N 3.294 122.824 119.914 -0.639 0.000 2.347 296 V HA 0.518 4.638 4.120 0.000 0.000 0.280 296 V C -0.487 175.296 176.094 -0.519 0.000 1.021 296 V CA -0.612 61.320 62.300 -0.614 0.000 0.847 296 V CB 0.558 31.687 31.823 -1.157 0.000 0.990 296 V HN 0.407 nan 8.190 nan 0.000 0.444 297 L N 4.806 125.594 121.223 -0.725 0.000 2.303 297 L HA 0.708 5.048 4.340 0.000 0.000 0.266 297 L C -0.803 175.448 176.870 -1.033 0.000 1.011 297 L CA -0.483 53.965 54.840 -0.653 0.000 0.818 297 L CB 1.508 43.143 42.059 -0.708 0.000 1.326 297 L HN 0.413 nan 8.230 nan 0.000 0.435 298 F N 1.965 121.711 119.950 -0.339 0.000 2.771 298 F HA 0.516 5.043 4.527 0.000 0.000 0.365 298 F C -0.814 174.747 175.800 -0.398 0.000 1.169 298 F CA -0.502 57.309 58.000 -0.314 0.000 1.093 298 F CB 1.013 39.824 39.000 -0.314 0.000 1.363 298 F HN 0.030 nan 8.300 nan 0.000 0.496 299 L N 2.186 123.368 121.223 -0.069 0.000 2.334 299 L HA 0.766 5.106 4.340 0.000 0.000 0.275 299 L C 0.552 177.427 176.870 0.007 0.000 1.036 299 L CA -0.507 54.274 54.840 -0.099 0.000 0.807 299 L CB 1.737 43.590 42.059 -0.344 0.000 1.231 299 L HN 0.648 nan 8.230 nan 0.000 0.438 300 T N -2.730 111.820 114.554 -0.007 0.000 2.858 300 T HA 0.423 4.773 4.350 0.000 0.000 0.285 300 T C 0.607 175.309 174.700 0.003 0.000 1.052 300 T CA -0.643 61.471 62.100 0.024 0.000 1.009 300 T CB 1.000 69.889 68.868 0.036 0.000 1.241 300 T HN 0.546 nan 8.240 nan 0.000 0.542 301 E N -0.160 120.050 120.200 0.017 0.000 2.472 301 E HA -0.038 4.312 4.350 0.000 0.000 0.200 301 E C 0.921 177.522 176.600 0.003 0.000 1.046 301 E CA 0.728 57.132 56.400 0.008 0.000 0.871 301 E CB 0.106 29.817 29.700 0.018 0.000 0.806 301 E HN 0.598 nan 8.360 nan 0.000 0.533 302 E N -1.354 118.853 120.200 0.012 0.000 2.399 302 E HA 0.196 4.546 4.350 0.000 0.000 0.205 302 E C 0.690 177.304 176.600 0.023 0.000 0.906 302 E CA 0.541 56.951 56.400 0.016 0.000 0.998 302 E CB 1.333 31.049 29.700 0.026 0.000 1.002 302 E HN 0.195 nan 8.360 nan 0.000 0.501 303 G N -0.892 107.929 108.800 0.036 0.000 2.649 303 G HA2 -0.003 3.957 3.960 0.000 0.000 0.078 303 G HA3 -0.003 3.957 3.960 0.000 0.000 0.078 303 G C -1.477 173.502 174.900 0.132 0.000 1.110 303 G CA -0.629 44.516 45.100 0.075 0.000 1.269 303 G HN 0.102 nan 8.290 nan 0.000 0.581 304 H N 1.511 120.644 119.070 0.105 0.000 2.589 304 H HA 0.630 5.186 4.556 0.000 0.000 0.335 304 H C -1.886 173.551 175.328 0.181 0.000 1.019 304 H CA -0.181 55.967 56.048 0.167 0.000 1.213 304 H CB 1.946 31.864 29.762 0.260 0.000 1.472 304 H HN 0.437 nan 8.280 nan 0.000 0.508 305 D N 7.222 127.637 120.400 0.025 0.000 2.479 305 D HA 0.130 4.770 4.640 0.000 0.000 0.246 305 D C -2.264 174.047 176.300 0.018 0.000 1.336 305 D CA -1.537 52.534 54.000 0.119 0.000 0.967 305 D CB 2.697 43.553 40.800 0.093 0.000 1.275 305 D HN 0.308 nan 8.370 nan 0.000 0.577 306 P HA -0.067 nan 4.420 nan 0.000 0.244 306 P C 0.692 177.651 177.300 -0.569 0.000 1.211 306 P CA 0.678 63.622 63.100 -0.260 0.000 0.760 306 P CB 0.636 32.351 31.700 0.024 0.000 0.961 307 Q N 0.027 119.678 119.800 -0.248 0.000 2.471 307 Q HA 0.012 4.352 4.340 0.000 0.000 0.259 307 Q C 1.659 177.583 176.000 -0.127 0.000 0.850 307 Q CA 0.996 56.649 55.803 -0.251 0.000 0.981 307 Q CB 0.331 29.114 28.738 0.076 0.000 1.180 307 Q HN 0.175 nan 8.270 nan 0.000 0.571 308 T N -2.737 111.796 114.554 -0.036 0.000 3.023 308 T HA 0.295 4.645 4.350 0.000 0.000 0.249 308 T C 0.997 175.709 174.700 0.021 0.000 1.050 308 T CA 0.333 62.434 62.100 0.001 0.000 1.088 308 T CB 0.162 69.049 68.868 0.032 0.000 0.946 308 T HN 0.225 nan 8.240 nan 0.000 0.480 309 G N 1.641 110.461 108.800 0.033 0.000 2.432 309 G HA2 0.326 4.286 3.960 0.000 0.000 0.239 309 G HA3 0.326 4.286 3.960 0.000 0.000 0.239 309 G C -0.382 174.616 174.900 0.164 0.000 1.291 309 G CA -0.474 44.677 45.100 0.085 0.000 0.863 309 G HN 0.645 nan 8.290 nan 0.000 0.560 310 E N 0.972 121.273 120.200 0.168 0.000 2.354 310 E HA 0.247 4.597 4.350 0.000 0.000 0.269 310 E C -0.028 176.687 176.600 0.191 0.000 1.036 310 E CA -0.770 55.729 56.400 0.165 0.000 0.876 310 E CB 0.911 30.699 29.700 0.147 0.000 1.009 310 E HN 0.174 nan 8.360 nan 0.000 0.416 311 V N 5.082 125.050 119.914 0.091 0.000 2.521 311 V HA 0.139 4.259 4.120 0.000 0.000 0.286 311 V C -0.245 175.733 176.094 -0.192 0.000 1.034 311 V CA 0.488 62.733 62.300 -0.092 0.000 1.045 311 V CB -0.432 31.412 31.823 0.036 0.000 0.974 311 V HN 0.519 nan 8.190 nan 0.000 0.480 312 F N 2.993 122.705 119.950 -0.397 0.000 2.588 312 F HA 0.758 5.285 4.527 0.000 0.000 0.314 312 F C -0.238 175.282 175.800 -0.467 0.000 1.069 312 F CA -0.726 57.095 58.000 -0.299 0.000 0.931 312 F CB 2.423 41.255 39.000 -0.280 0.000 1.260 312 F HN 0.164 nan 8.300 nan 0.000 0.465 313 V N 1.255 121.061 119.914 -0.180 0.000 2.668 313 V HA 0.490 4.610 4.120 0.000 0.000 0.304 313 V C -0.636 175.411 176.094 -0.078 0.000 1.071 313 V CA -0.837 61.284 62.300 -0.299 0.000 0.894 313 V CB 2.177 33.653 31.823 -0.579 0.000 1.008 313 V HN 0.821 nan 8.190 nan 0.000 0.425 314 T N 3.579 118.067 114.554 -0.110 0.000 2.895 314 T HA 0.950 5.300 4.350 0.000 0.000 0.283 314 T C -0.713 173.923 174.700 -0.107 0.000 1.014 314 T CA -0.650 61.436 62.100 -0.022 0.000 1.037 314 T CB 1.799 70.665 68.868 -0.003 0.000 1.006 314 T HN 1.152 nan 8.240 nan 0.000 0.468 315 L N -1.150 120.008 121.223 -0.109 0.000 2.866 315 L HA 0.843 5.183 4.340 0.000 0.000 0.262 315 L C -0.504 176.248 176.870 -0.197 0.000 0.986 315 L CA -1.282 53.445 54.840 -0.189 0.000 0.925 315 L CB 1.151 43.012 42.059 -0.330 0.000 1.484 315 L HN 0.935 nan 8.230 nan 0.000 0.414 316 G N 0.194 108.845 108.800 -0.248 0.000 2.389 316 G HA2 0.651 4.611 3.960 0.000 0.000 0.317 316 G HA3 0.651 4.611 3.960 0.000 0.000 0.317 316 G C -0.463 174.396 174.900 -0.068 0.000 1.137 316 G CA 0.042 44.956 45.100 -0.311 0.000 0.870 316 G HN 0.954 nan 8.290 nan 0.000 0.496 317 T N -0.809 113.812 114.554 0.112 0.000 2.841 317 T HA 0.594 4.944 4.350 0.000 0.000 0.283 317 T C -0.591 174.206 174.700 0.161 0.000 1.000 317 T CA -0.834 61.368 62.100 0.171 0.000 0.977 317 T CB 2.341 71.310 68.868 0.169 0.000 0.979 317 T HN 0.447 nan 8.240 nan 0.000 0.446 318 E N 1.541 121.780 120.200 0.064 0.000 2.134 318 E HA 0.542 4.892 4.350 0.000 0.000 0.278 318 E C 0.173 176.724 176.600 -0.082 0.000 0.959 318 E CA -0.998 55.378 56.400 -0.040 0.000 0.783 318 E CB 1.570 31.295 29.700 0.042 0.000 1.095 318 E HN 0.860 nan 8.360 nan 0.000 0.399 319 G N 1.113 109.895 108.800 -0.031 0.000 2.537 319 G HA2 0.534 4.494 3.960 0.000 0.000 0.323 319 G HA3 0.534 4.494 3.960 0.000 0.000 0.323 319 G C -0.891 174.130 174.900 0.201 0.000 1.207 319 G CA -0.455 44.707 45.100 0.105 0.000 0.976 319 G HN 0.352 nan 8.290 nan 0.000 0.487 320 S N -1.480 114.405 115.700 0.308 0.000 2.537 320 S HA 0.717 5.187 4.470 0.000 0.000 0.271 320 S C 0.086 174.824 174.600 0.230 0.000 1.148 320 S CA 0.066 58.408 58.200 0.236 0.000 0.868 320 S CB 1.265 64.570 63.200 0.175 0.000 1.115 320 S HN 1.284 nan 8.310 nan 0.000 0.461 321 G N 1.636 110.523 108.800 0.145 0.000 2.535 321 G HA2 0.679 4.639 3.960 0.000 0.000 0.303 321 G HA3 0.679 4.639 3.960 0.000 0.000 0.303 321 G C -1.209 173.758 174.900 0.111 0.000 1.237 321 G CA -0.784 44.389 45.100 0.120 0.000 0.986 321 G HN 0.750 nan 8.290 nan 0.000 0.494 322 L N 1.420 122.700 121.223 0.094 0.000 2.329 322 L HA 0.413 4.753 4.340 0.000 0.000 0.279 322 L C -1.477 175.425 176.870 0.053 0.000 1.014 322 L CA -1.522 53.366 54.840 0.080 0.000 0.814 322 L CB 1.837 43.950 42.059 0.090 0.000 1.257 322 L HN 0.461 nan 8.230 nan 0.000 0.424 323 P HA 0.362 nan 4.420 nan 0.000 0.274 323 P C -0.624 176.694 177.300 0.031 0.000 1.237 323 P CA -0.419 62.704 63.100 0.037 0.000 0.793 323 P CB 1.210 32.924 31.700 0.024 0.000 0.977 324 I N 0.307 120.889 120.570 0.019 0.000 2.519 324 I HA 0.122 4.292 4.170 0.000 0.000 0.287 324 I C 0.139 176.231 176.117 -0.041 0.000 1.047 324 I CA -0.868 60.427 61.300 -0.010 0.000 1.381 324 I CB 1.258 39.237 38.000 -0.035 0.000 1.417 324 I HN 0.031 nan 8.210 nan 0.000 0.540 325 V N 7.334 127.211 119.914 -0.062 0.000 2.311 325 V HA 0.226 4.346 4.120 0.000 0.000 0.275 325 V C -2.178 173.822 176.094 -0.156 0.000 1.022 325 V CA -1.881 60.371 62.300 -0.080 0.000 0.830 325 V CB 0.750 32.541 31.823 -0.053 0.000 1.012 325 V HN 0.608 nan 8.190 nan 0.000 0.452 326 P HA -0.054 nan 4.420 nan 0.000 0.259 326 P C 0.422 177.549 177.300 -0.288 0.000 1.155 326 P CA 0.752 63.734 63.100 -0.197 0.000 0.759 326 P CB 0.035 31.664 31.700 -0.118 0.000 0.753 327 Q N -1.702 117.806 119.800 -0.487 0.000 2.460 327 Q HA -0.162 4.178 4.340 0.000 0.000 0.248 327 Q C -0.660 174.791 176.000 -0.914 0.000 0.847 327 Q CA 0.391 55.661 55.803 -0.888 0.000 1.214 327 Q CB -1.852 26.652 28.738 -0.389 0.000 1.523 327 Q HN 0.274 nan 8.270 nan 0.000 0.602 328 V N 0.539 120.072 119.914 -0.636 0.000 2.604 328 V HA 0.483 4.603 4.120 0.000 0.000 0.305 328 V C 0.015 176.083 176.094 -0.043 0.000 1.043 328 V CA -0.510 61.636 62.300 -0.258 0.000 0.888 328 V CB 2.226 33.986 31.823 -0.106 0.000 0.995 328 V HN 0.066 nan 8.190 nan 0.000 0.429 329 S N 1.769 117.546 115.700 0.129 0.000 2.594 329 S HA 0.193 4.663 4.470 0.000 0.000 0.322 329 S C 1.081 175.711 174.600 0.050 0.000 1.085 329 S CA -0.095 58.223 58.200 0.197 0.000 1.116 329 S CB 1.516 64.772 63.200 0.093 0.000 0.979 329 S HN 1.006 nan 8.310 nan 0.000 0.465 330 S N 2.777 118.528 115.700 0.084 0.000 2.402 330 S HA 0.047 4.517 4.470 0.000 0.000 0.229 330 S C 0.630 175.243 174.600 0.021 0.000 1.021 330 S CA 0.682 58.936 58.200 0.090 0.000 0.974 330 S CB -0.251 63.008 63.200 0.098 0.000 0.800 330 S HN 0.573 nan 8.310 nan 0.000 0.484 331 I N 1.981 122.485 120.570 -0.110 0.000 2.465 331 I HA 0.408 4.578 4.170 0.000 0.000 0.291 331 I C -1.212 174.619 176.117 -0.476 0.000 1.014 331 I CA -0.692 60.483 61.300 -0.208 0.000 1.093 331 I CB 1.307 39.268 38.000 -0.066 0.000 1.267 331 I HN 0.162 nan 8.210 nan 0.000 0.431 332 H N 3.403 122.111 119.070 -0.602 0.000 2.736 332 H HA 0.357 4.913 4.556 0.000 0.000 0.271 332 H C -0.966 174.231 175.328 -0.219 0.000 1.184 332 H CA -0.512 55.003 56.048 -0.889 0.000 1.378 332 H CB 0.672 28.952 29.762 -2.470 0.000 1.428 332 H HN 0.335 nan 8.280 nan 0.000 0.500 333 D N 2.314 122.876 120.400 0.271 0.000 2.256 333 D HA 0.095 4.735 4.640 0.000 0.000 0.250 333 D C 0.075 176.554 176.300 0.299 0.000 1.093 333 D CA -0.498 53.669 54.000 0.279 0.000 0.882 333 D CB 1.297 42.121 40.800 0.040 0.000 1.185 333 D HN 0.316 nan 8.370 nan 0.000 0.437 334 M N 4.131 123.891 119.600 0.267 0.000 2.495 334 M HA 0.273 4.753 4.480 0.000 0.000 0.346 334 M C -1.414 174.856 176.300 -0.051 0.000 1.251 334 M CA -0.275 55.116 55.300 0.152 0.000 1.249 334 M CB -0.394 32.359 32.600 0.254 0.000 1.229 334 M HN 0.219 nan 8.290 nan 0.000 0.450 335 L N 3.294 124.382 121.223 -0.224 0.000 2.440 335 L HA 0.747 5.087 4.340 0.000 0.000 0.262 335 L C -0.450 176.379 176.870 -0.068 0.000 1.072 335 L CA -0.818 53.794 54.840 -0.380 0.000 0.798 335 L CB 1.242 43.008 42.059 -0.489 0.000 1.307 335 L HN 0.701 nan 8.230 nan 0.000 0.475 336 W N -0.406 120.794 121.300 -0.166 0.000 3.248 336 W HA 0.801 5.461 4.660 0.000 0.000 0.311 336 W C -1.945 174.526 176.519 -0.079 0.000 1.258 336 W CA -1.101 56.198 57.345 -0.078 0.000 1.191 336 W CB 1.347 30.802 29.460 -0.009 0.000 1.389 336 W HN 0.635 nan 8.180 nan 0.000 0.561 337 A N 1.272 124.177 122.820 0.142 0.000 2.587 337 A HA 0.965 5.285 4.320 0.000 0.000 0.293 337 A C -1.706 175.905 177.584 0.045 0.000 1.087 337 A CA -0.367 51.546 52.037 -0.206 0.000 0.692 337 A CB 1.370 20.205 19.000 -0.274 0.000 1.291 337 A HN 1.650 nan 8.150 nan 0.000 0.407 338 A N -0.440 122.245 122.820 -0.225 0.000 2.498 338 A HA 1.026 5.346 4.320 0.000 0.000 0.298 338 A C -0.009 177.301 177.584 -0.457 0.000 1.075 338 A CA -0.061 51.631 52.037 -0.574 0.000 0.714 338 A CB 1.634 19.859 19.000 -1.292 0.000 1.299 338 A HN 2.703 nan 8.150 nan 0.000 0.407 339 G N 0.064 108.629 108.800 -0.392 0.000 2.315 339 G HA2 0.512 4.472 3.960 0.000 0.000 0.294 339 G HA3 0.512 4.472 3.960 0.000 0.000 0.294 339 G C -1.733 172.978 174.900 -0.315 0.000 1.300 339 G CA -0.736 44.070 45.100 -0.491 0.000 0.843 339 G HN 0.739 nan 8.290 nan 0.000 0.527 340 E N -1.338 118.662 120.200 -0.334 0.000 2.250 340 E HA 0.678 5.028 4.350 0.000 0.000 0.265 340 E C -0.282 176.228 176.600 -0.150 0.000 1.033 340 E CA -0.641 55.658 56.400 -0.168 0.000 0.888 340 E CB 2.000 31.619 29.700 -0.136 0.000 1.151 340 E HN 0.429 nan 8.360 nan 0.000 0.412 341 V N 0.704 120.613 119.914 -0.008 0.000 2.540 341 V HA 0.837 4.957 4.120 0.000 0.000 0.302 341 V C 0.255 176.368 176.094 0.032 0.000 1.035 341 V CA -0.507 61.831 62.300 0.063 0.000 0.873 341 V CB 1.632 33.594 31.823 0.231 0.000 0.992 341 V HN 0.714 nan 8.190 nan 0.000 0.428 342 G N 1.932 110.744 108.800 0.021 0.000 2.798 342 G HA2 0.709 4.669 3.960 0.000 0.000 0.286 342 G HA3 0.709 4.669 3.960 0.000 0.000 0.286 342 G C -0.507 174.414 174.900 0.035 0.000 1.389 342 G CA -0.401 44.707 45.100 0.013 0.000 0.894 342 G HN 0.954 nan 8.290 nan 0.000 0.488 343 V N -1.625 118.304 119.914 0.025 0.000 3.287 343 V HA 0.556 4.676 4.120 0.000 0.000 0.306 343 V C 1.189 177.299 176.094 0.026 0.000 1.103 343 V CA 0.229 62.548 62.300 0.031 0.000 1.159 343 V CB 0.875 32.711 31.823 0.022 0.000 1.036 343 V HN 1.209 nan 8.190 nan 0.000 0.487 344 G N 1.389 110.208 108.800 0.032 0.000 3.316 344 G HA2 0.396 4.356 3.960 0.000 0.000 0.255 344 G HA3 0.396 4.356 3.960 0.000 0.000 0.255 344 G C 0.514 175.423 174.900 0.015 0.000 0.880 344 G CA 0.663 45.779 45.100 0.026 0.000 1.956 344 G HN 1.430 nan 8.290 nan 0.000 0.634 345 S N 0.465 116.168 115.700 0.006 0.000 3.927 345 S HA -0.283 4.187 4.470 0.000 0.000 0.618 345 S C 1.402 176.006 174.600 0.007 0.000 2.201 345 S CA 1.794 59.995 58.200 0.002 0.000 4.160 345 S CB -0.808 62.392 63.200 -0.001 0.000 0.266 345 S HN 0.639 nan 8.310 nan 0.000 0.760 346 E N 0.816 121.020 120.200 0.006 0.000 2.583 346 E HA 0.157 4.507 4.350 0.000 0.000 0.213 346 E C -0.305 176.301 176.600 0.010 0.000 0.989 346 E CA -0.122 56.283 56.400 0.008 0.000 0.991 346 E CB 0.668 30.371 29.700 0.005 0.000 1.040 346 E HN 0.498 nan 8.360 nan 0.000 0.481 347 Q N 0.769 120.576 119.800 0.012 0.000 2.215 347 Q HA 0.253 4.593 4.340 0.000 0.000 0.256 347 Q C -0.037 175.975 176.000 0.019 0.000 0.972 347 Q CA -0.646 55.166 55.803 0.015 0.000 0.889 347 Q CB 0.743 29.489 28.738 0.014 0.000 1.281 347 Q HN -0.190 nan 8.270 nan 0.000 0.456 348 E N 0.799 121.013 120.200 0.023 0.000 1.775 348 E HA 0.281 4.631 4.350 0.000 0.000 0.266 348 E C -0.672 175.947 176.600 0.033 0.000 1.191 348 E CA 0.159 56.575 56.400 0.027 0.000 1.048 348 E CB -0.469 29.249 29.700 0.029 0.000 1.081 348 E HN 0.784 nan 8.360 nan 0.000 0.434 349 G N 2.011 110.828 108.800 0.029 0.000 3.265 349 G HA2 0.512 4.472 3.960 0.000 0.000 0.171 349 G HA3 0.512 4.472 3.960 0.000 0.000 0.171 349 G C -0.762 174.147 174.900 0.016 0.000 1.110 349 G CA -0.001 45.118 45.100 0.032 0.000 0.855 349 G HN 0.459 nan 8.290 nan 0.000 0.658 350 A N 0.537 123.371 122.820 0.022 0.000 2.520 350 A HA 0.411 4.731 4.320 0.000 0.000 0.245 350 A C 1.559 179.162 177.584 0.032 0.000 1.072 350 A CA 0.144 52.191 52.037 0.017 0.000 0.761 350 A CB 0.353 19.399 19.000 0.077 0.000 1.004 350 A HN 0.449 nan 8.150 nan 0.000 0.499 351 K N 1.052 121.463 120.400 0.018 0.000 2.032 351 K HA -0.124 4.196 4.320 0.000 0.000 0.209 351 K C 1.015 177.660 176.600 0.075 0.000 1.048 351 K CA 2.012 58.324 56.287 0.041 0.000 0.927 351 K CB -1.013 31.513 32.500 0.043 0.000 0.712 351 K HN 0.889 nan 8.250 nan 0.000 0.441 352 V N -1.841 118.147 119.914 0.123 0.000 3.126 352 V HA 0.574 4.694 4.120 0.000 0.000 0.314 352 V C -0.917 175.312 176.094 0.225 0.000 1.138 352 V CA -1.038 61.363 62.300 0.168 0.000 1.034 352 V CB 2.438 34.386 31.823 0.209 0.000 1.075 352 V HN 0.122 nan 8.190 nan 0.000 0.442 353 E N 1.009 121.315 120.200 0.178 0.000 2.290 353 E HA 0.441 4.791 4.350 0.000 0.000 0.274 353 E C -1.961 174.616 176.600 -0.039 0.000 0.889 353 E CA -0.445 56.008 56.400 0.089 0.000 0.760 353 E CB 2.833 32.538 29.700 0.009 0.000 1.206 353 E HN 0.706 nan 8.360 nan 0.000 0.419 354 F N 2.197 121.859 119.950 -0.480 0.000 2.420 354 F HA 0.366 4.893 4.527 0.000 0.000 0.352 354 F C -0.578 174.802 175.800 -0.700 0.000 1.108 354 F CA -0.345 57.173 58.000 -0.803 0.000 1.162 354 F CB 0.975 38.980 39.000 -1.657 0.000 1.118 354 F HN 0.166 nan 8.300 nan 0.000 0.510 355 S N 8.016 122.992 115.700 -1.206 0.000 2.566 355 S HA 0.420 4.890 4.470 0.000 0.000 0.324 355 S C -2.675 171.184 174.600 -1.235 0.000 1.081 355 S CA -1.221 56.399 58.200 -0.967 0.000 1.105 355 S CB 1.311 64.218 63.200 -0.488 0.000 0.981 355 S HN 0.409 nan 8.310 nan 0.000 0.464 356 P HA 0.186 nan 4.420 nan 0.000 0.271 356 P C 0.409 177.469 177.300 -0.400 0.000 1.216 356 P CA -0.209 62.332 63.100 -0.932 0.000 0.776 356 P CB 0.843 32.099 31.700 -0.739 0.000 0.881 357 S N 1.963 117.448 115.700 -0.357 0.000 2.554 357 S HA 0.302 4.772 4.470 0.000 0.000 0.227 357 S C 0.449 175.071 174.600 0.035 0.000 1.050 357 S CA -0.080 58.075 58.200 -0.075 0.000 0.927 357 S CB -0.287 62.829 63.200 -0.140 0.000 0.859 357 S HN 0.525 nan 8.310 nan 0.000 0.494 358 M N -0.131 119.266 119.600 -0.339 0.000 2.603 358 M HA 0.883 5.363 4.480 0.000 0.000 0.275 358 M C -1.860 173.829 176.300 -1.018 0.000 1.226 358 M CA -0.966 54.091 55.300 -0.405 0.000 0.870 358 M CB 1.684 34.240 32.600 -0.074 0.000 1.716 358 M HN 0.169 nan 8.290 nan 0.000 0.482 359 A N 0.351 122.394 122.820 -1.294 0.000 2.605 359 A HA 1.004 5.324 4.320 0.000 0.000 0.294 359 A C -0.811 175.969 177.584 -1.341 0.000 1.062 359 A CA 0.008 51.076 52.037 -1.615 0.000 0.682 359 A CB 1.513 19.633 19.000 -1.467 0.000 1.278 359 A HN 1.593 nan 8.150 nan 0.000 0.410 360 G N -0.640 107.108 108.800 -1.753 0.000 2.793 360 G HA2 0.628 4.588 3.960 0.000 0.000 0.248 360 G HA3 0.628 4.588 3.960 0.000 0.000 0.248 360 G C -1.769 172.689 174.900 -0.736 0.000 1.198 360 G CA -0.435 44.205 45.100 -0.767 0.000 0.865 360 G HN 0.663 nan 8.290 nan 0.000 0.534 361 F N 0.171 120.025 119.950 -0.159 0.000 2.507 361 F HA 0.474 5.001 4.527 0.000 0.000 0.325 361 F C 0.897 176.820 175.800 0.204 0.000 1.116 361 F CA -0.634 57.203 58.000 -0.272 0.000 0.930 361 F CB 2.425 40.698 39.000 -1.212 0.000 1.146 361 F HN 0.337 nan 8.300 nan 0.000 0.447 362 L N 1.358 122.798 121.223 0.362 0.000 2.179 362 L HA 0.200 4.540 4.340 0.000 0.000 0.208 362 L C -0.059 176.899 176.870 0.148 0.000 1.096 362 L CA 1.717 56.717 54.840 0.267 0.000 0.779 362 L CB -0.183 41.991 42.059 0.193 0.000 0.922 362 L HN 0.532 nan 8.230 nan 0.000 0.443 363 D N -2.395 118.082 120.400 0.128 0.000 2.931 363 D HA 0.036 4.676 4.640 0.000 0.000 0.215 363 D C -0.640 175.671 176.300 0.019 0.000 1.297 363 D CA -0.371 53.654 54.000 0.042 0.000 0.892 363 D CB 0.563 41.390 40.800 0.045 0.000 1.642 363 D HN 0.063 nan 8.370 nan 0.000 0.560 364 W N 2.363 123.542 121.300 -0.203 0.000 3.077 364 W HA 0.240 4.900 4.660 0.000 0.000 0.245 364 W C 1.555 177.983 176.519 -0.152 0.000 1.316 364 W CA -0.160 56.983 57.345 -0.336 0.000 1.537 364 W CB 0.276 29.487 29.460 -0.416 0.000 1.131 364 W HN 0.342 nan 8.180 nan 0.000 0.695 365 G N 0.089 108.956 108.800 0.111 0.000 2.441 365 G HA2 0.026 3.986 3.960 0.000 0.000 0.243 365 G HA3 0.026 3.986 3.960 0.000 0.000 0.243 365 G C 0.273 175.302 174.900 0.216 0.000 1.281 365 G CA -0.552 44.633 45.100 0.141 0.000 0.854 365 G HN 0.206 nan 8.290 nan 0.000 0.560 366 F N 2.024 122.075 119.950 0.169 0.000 2.095 366 F HA -0.137 4.390 4.527 0.000 0.000 0.298 366 F C 2.480 178.426 175.800 0.245 0.000 1.104 366 F CA 2.133 60.267 58.000 0.224 0.000 1.232 366 F CB 0.220 39.439 39.000 0.365 0.000 0.987 366 F HN 0.360 nan 8.300 nan 0.000 0.475 367 S N 0.397 116.317 115.700 0.365 0.000 2.603 367 S HA 0.344 4.815 4.470 0.000 0.000 0.220 367 S C 0.585 175.137 174.600 -0.080 0.000 0.967 367 S CA 0.164 58.381 58.200 0.027 0.000 0.920 367 S CB -0.660 62.557 63.200 0.028 0.000 0.773 367 S HN 0.441 nan 8.310 nan 0.000 0.529 368 A N 1.189 124.063 122.820 0.090 0.000 2.310 368 A HA 0.786 5.106 4.320 0.000 0.000 0.299 368 A C -0.604 177.217 177.584 0.395 0.000 1.147 368 A CA -0.313 51.811 52.037 0.144 0.000 0.818 368 A CB 0.544 19.614 19.000 0.118 0.000 1.096 368 A HN 0.457 nan 8.150 nan 0.000 0.495 369 Y N 0.231 120.683 120.300 0.255 0.000 2.891 369 Y HA 0.383 4.933 4.550 0.000 0.000 0.361 369 Y C 0.423 176.595 175.900 0.454 0.000 1.255 369 Y CA -0.068 58.250 58.100 0.363 0.000 1.103 369 Y CB 0.548 39.309 38.460 0.501 0.000 1.454 369 Y HN 1.888 nan 8.280 nan 0.000 0.449 370 A N 0.712 123.538 122.820 0.010 0.000 2.560 370 A HA 0.011 4.332 4.320 0.000 0.000 0.299 370 A C 0.122 177.801 177.584 0.159 0.000 1.484 370 A CA 0.979 53.043 52.037 0.044 0.000 0.749 370 A CB -2.112 17.031 19.000 0.238 0.000 1.072 370 A HN 1.778 nan 8.150 nan 0.000 0.426 371 A N -0.423 122.480 122.820 0.138 0.000 2.483 371 A HA 0.653 4.974 4.320 0.000 0.000 0.238 371 A C 0.764 178.484 177.584 0.226 0.000 1.070 371 A CA 0.699 52.863 52.037 0.212 0.000 0.770 371 A CB 0.308 19.416 19.000 0.180 0.000 1.008 371 A HN 2.412 nan 8.150 nan 0.000 0.497 372 A N 1.823 124.867 122.820 0.374 0.000 2.446 372 A HA 0.694 5.014 4.320 0.000 0.000 0.282 372 A C 0.182 178.187 177.584 0.702 0.000 1.102 372 A CA 0.181 52.484 52.037 0.444 0.000 0.737 372 A CB 0.828 20.026 19.000 0.330 0.000 1.212 372 A HN 1.813 nan 8.150 nan 0.000 0.434 373 G N 0.546 109.721 108.800 0.625 0.000 2.932 373 G HA2 0.736 4.696 3.960 0.000 0.000 0.283 373 G HA3 0.736 4.696 3.960 0.000 0.000 0.283 373 G C -0.826 174.297 174.900 0.372 0.000 1.336 373 G CA -0.752 44.608 45.100 0.434 0.000 1.056 373 G HN 0.795 nan 8.290 nan 0.000 0.522 374 K N -1.438 118.786 120.400 -0.294 0.000 2.597 374 K HA 0.453 4.773 4.320 0.000 0.000 0.282 374 K C -0.966 175.435 176.600 -0.331 0.000 0.975 374 K CA -0.571 55.709 56.287 -0.011 0.000 0.867 374 K CB 1.759 34.544 32.500 0.475 0.000 1.465 374 K HN 0.405 nan 8.250 nan 0.000 0.417 375 V N 2.990 122.880 119.914 -0.041 0.000 2.637 375 V HA 0.300 4.420 4.120 0.000 0.000 0.296 375 V C -0.244 175.858 176.094 0.014 0.000 1.046 375 V CA -0.432 61.809 62.300 -0.097 0.000 1.066 375 V CB 0.861 32.632 31.823 -0.087 0.000 0.968 375 V HN 0.595 nan 8.190 nan 0.000 0.483 376 L N 8.548 129.732 121.223 -0.066 0.000 2.366 376 L HA 0.596 4.936 4.340 0.000 0.000 0.266 376 L C -2.548 174.315 176.870 -0.013 0.000 1.010 376 L CA -1.825 52.956 54.840 -0.098 0.000 0.879 376 L CB 1.400 43.273 42.059 -0.311 0.000 1.228 376 L HN 0.398 nan 8.230 nan 0.000 0.439 377 P HA 0.121 nan 4.420 nan 0.000 0.269 377 P C 0.191 177.519 177.300 0.047 0.000 1.209 377 P CA 0.093 63.239 63.100 0.077 0.000 0.776 377 P CB 0.926 32.693 31.700 0.112 0.000 0.876 378 A N 2.331 125.182 122.820 0.052 0.000 2.121 378 A HA -0.128 4.192 4.320 0.000 0.000 0.218 378 A C 1.836 179.440 177.584 0.033 0.000 1.154 378 A CA 1.823 53.880 52.037 0.033 0.000 0.679 378 A CB -1.319 17.705 19.000 0.039 0.000 0.795 378 A HN 0.585 nan 8.150 nan 0.000 0.458 379 S N 0.287 116.017 115.700 0.049 0.000 2.562 379 S HA 0.070 4.540 4.470 0.000 0.000 0.221 379 S C 1.002 175.633 174.600 0.051 0.000 0.975 379 S CA 0.314 58.544 58.200 0.050 0.000 0.918 379 S CB -0.818 62.419 63.200 0.062 0.000 0.772 379 S HN 0.718 nan 8.310 nan 0.000 0.531 380 S N 1.129 116.860 115.700 0.051 0.000 2.579 380 S HA 0.625 5.095 4.470 0.000 0.000 0.275 380 S C 1.409 176.026 174.600 0.030 0.000 1.345 380 S CA -0.312 57.922 58.200 0.057 0.000 1.031 380 S CB 0.944 64.176 63.200 0.052 0.000 0.892 380 S HN 0.469 nan 8.310 nan 0.000 0.529 381 A N 2.357 125.197 122.820 0.034 0.000 1.908 381 A HA -0.026 4.294 4.320 0.000 0.000 0.218 381 A C 2.192 179.767 177.584 -0.016 0.000 1.181 381 A CA 1.698 53.741 52.037 0.010 0.000 0.627 381 A CB -1.398 17.608 19.000 0.011 0.000 0.818 381 A HN 0.836 nan 8.150 nan 0.000 0.445 382 V N -0.086 119.814 119.914 -0.023 0.000 2.252 382 V HA -0.287 3.833 4.120 0.000 0.000 0.249 382 V C 2.809 178.865 176.094 -0.063 0.000 1.056 382 V CA 2.566 64.828 62.300 -0.062 0.000 1.022 382 V CB -0.973 30.794 31.823 -0.093 0.000 0.641 382 V HN 0.573 nan 8.190 nan 0.000 0.445 383 S N -0.916 114.754 115.700 -0.050 0.000 2.383 383 S HA -0.169 4.301 4.470 0.000 0.000 0.227 383 S C 1.927 176.510 174.600 -0.028 0.000 1.026 383 S CA 1.392 59.567 58.200 -0.042 0.000 0.981 383 S CB -0.223 62.960 63.200 -0.028 0.000 0.818 383 S HN 0.608 nan 8.310 nan 0.000 0.472 384 K N 0.797 121.187 120.400 -0.018 0.000 1.985 384 K HA -0.059 4.261 4.320 0.000 0.000 0.210 384 K C 2.385 178.970 176.600 -0.024 0.000 1.047 384 K CA 1.668 57.947 56.287 -0.014 0.000 0.932 384 K CB -0.753 31.743 32.500 -0.005 0.000 0.716 384 K HN 0.204 nan 8.250 nan 0.000 0.439 385 T N 0.902 115.437 114.554 -0.032 0.000 2.665 385 T HA -0.207 4.143 4.350 0.000 0.000 0.268 385 T C 2.100 176.772 174.700 -0.048 0.000 1.035 385 T CA 2.039 64.114 62.100 -0.041 0.000 1.151 385 T CB -0.365 68.472 68.868 -0.053 0.000 0.862 385 T HN 0.353 nan 8.240 nan 0.000 0.438 386 S N 0.034 115.701 115.700 -0.055 0.000 2.453 386 S HA 0.186 4.656 4.470 0.000 0.000 0.231 386 S C 1.676 176.249 174.600 -0.045 0.000 1.005 386 S CA 1.274 59.439 58.200 -0.059 0.000 0.949 386 S CB -0.530 62.627 63.200 -0.072 0.000 0.774 386 S HN 0.886 nan 8.310 nan 0.000 0.510 387 G N 0.198 108.977 108.800 -0.035 0.000 2.142 387 G HA2 -0.196 3.764 3.960 0.000 0.000 0.225 387 G HA3 -0.196 3.764 3.960 0.000 0.000 0.225 387 G C -0.086 174.801 174.900 -0.022 0.000 1.015 387 G CA 0.051 45.136 45.100 -0.025 0.000 0.716 387 G HN 0.703 nan 8.290 nan 0.000 0.508 388 V N 0.829 120.728 119.914 -0.025 0.000 2.530 388 V HA 0.311 4.431 4.120 0.000 0.000 0.282 388 V C 1.246 177.337 176.094 -0.004 0.000 1.048 388 V CA -0.095 62.194 62.300 -0.019 0.000 0.997 388 V CB 1.560 33.365 31.823 -0.029 0.000 0.987 388 V HN 0.333 nan 8.190 nan 0.000 0.477 389 E N 2.642 122.843 120.200 0.003 0.000 2.474 389 E HA 0.066 4.416 4.350 0.000 0.000 0.194 389 E C 0.382 176.998 176.600 0.027 0.000 1.041 389 E CA 0.413 56.821 56.400 0.014 0.000 0.874 389 E CB 0.891 30.598 29.700 0.013 0.000 0.914 389 E HN 0.678 nan 8.360 nan 0.000 0.498 390 V N -1.688 118.244 119.914 0.029 0.000 3.166 390 V HA 0.497 4.617 4.120 0.000 0.000 0.317 390 V C -0.308 175.822 176.094 0.059 0.000 1.136 390 V CA -1.142 61.188 62.300 0.049 0.000 1.035 390 V CB 1.976 33.829 31.823 0.050 0.000 1.110 390 V HN -0.274 nan 8.190 nan 0.000 0.450 391 D N 1.088 121.545 120.400 0.096 0.000 2.256 391 D HA 0.545 5.185 4.640 0.000 0.000 0.250 391 D C -0.140 176.237 176.300 0.130 0.000 1.093 391 D CA 0.000 54.071 54.000 0.117 0.000 0.882 391 D CB 1.528 42.437 40.800 0.183 0.000 1.185 391 D HN 0.544 nan 8.370 nan 0.000 0.437 392 R N 0.884 121.433 120.500 0.081 0.000 2.902 392 R HA 0.474 4.814 4.340 0.000 0.000 0.258 392 R C -0.993 175.365 176.300 0.097 0.000 1.071 392 R CA -0.987 55.161 56.100 0.081 0.000 1.024 392 R CB 1.717 32.007 30.300 -0.016 0.000 1.184 392 R HN 0.434 nan 8.270 nan 0.000 0.492 393 Y N 0.881 121.196 120.300 0.026 0.000 2.363 393 Y HA 0.345 4.895 4.550 0.000 0.000 0.325 393 Y C -1.227 174.657 175.900 -0.027 0.000 0.984 393 Y CA -0.730 57.388 58.100 0.030 0.000 1.248 393 Y CB 1.212 39.774 38.460 0.171 0.000 1.116 393 Y HN 0.202 nan 8.280 nan 0.000 0.470 394 V N 5.257 124.920 119.914 -0.418 0.000 2.439 394 V HA 0.424 4.544 4.120 0.000 0.000 0.282 394 V C -0.071 175.777 176.094 -0.409 0.000 1.039 394 V CA -0.450 61.618 62.300 -0.387 0.000 0.913 394 V CB 1.353 32.886 31.823 -0.484 0.000 0.983 394 V HN 0.773 nan 8.190 nan 0.000 0.460 395 S N 4.537 120.058 115.700 -0.299 0.000 2.472 395 S HA 0.777 5.247 4.470 0.000 0.000 0.303 395 S C -1.165 173.245 174.600 -0.317 0.000 1.099 395 S CA -0.446 57.697 58.200 -0.095 0.000 1.077 395 S CB 0.665 63.948 63.200 0.138 0.000 1.031 395 S HN 0.402 nan 8.310 nan 0.000 0.487 396 F N 3.645 123.692 119.950 0.161 0.000 2.445 396 F HA 0.457 4.984 4.527 0.000 0.000 0.348 396 F C -0.022 175.908 175.800 0.217 0.000 1.125 396 F CA -0.785 57.310 58.000 0.159 0.000 0.983 396 F CB 1.646 40.731 39.000 0.142 0.000 1.198 396 F HN 0.232 nan 8.300 nan 0.000 0.436 397 V N 2.491 122.600 119.914 0.325 0.000 2.567 397 V HA 0.156 4.276 4.120 0.000 0.000 0.289 397 V C -0.523 175.802 176.094 0.386 0.000 1.049 397 V CA -0.837 61.651 62.300 0.313 0.000 0.969 397 V CB 1.339 33.290 31.823 0.214 0.000 0.995 397 V HN 0.725 nan 8.190 nan 0.000 0.471 398 W N 5.654 127.071 121.300 0.194 0.000 2.316 398 W HA 0.579 5.239 4.660 0.000 0.000 0.321 398 W C -0.722 175.881 176.519 0.140 0.000 1.203 398 W CA -1.151 56.299 57.345 0.175 0.000 1.214 398 W CB 1.120 30.704 29.460 0.208 0.000 1.169 398 W HN 0.397 nan 8.180 nan 0.000 0.561 399 L N 7.201 128.360 121.223 -0.106 0.000 2.408 399 L HA 0.247 4.587 4.340 0.000 0.000 0.257 399 L C 0.378 176.888 176.870 -0.599 0.000 1.053 399 L CA -0.216 54.415 54.840 -0.349 0.000 0.922 399 L CB 0.684 42.553 42.059 -0.317 0.000 1.261 399 L HN 0.459 nan 8.230 nan 0.000 0.458 400 T N 2.007 115.774 114.554 -1.312 0.000 2.946 400 T HA 0.207 4.557 4.350 0.000 0.000 0.311 400 T C 1.334 175.807 174.700 -0.379 0.000 1.063 400 T CA 0.794 62.121 62.100 -1.288 0.000 1.139 400 T CB 0.836 68.606 68.868 -1.830 0.000 0.994 400 T HN 0.793 nan 8.240 nan 0.000 0.547 401 G N 2.534 111.168 108.800 -0.276 0.000 2.683 401 G HA2 0.055 4.015 3.960 0.000 0.000 0.213 401 G HA3 0.055 4.015 3.960 0.000 0.000 0.213 401 G C 0.465 174.868 174.900 -0.830 0.000 1.142 401 G CA 0.390 45.162 45.100 -0.547 0.000 0.793 401 G HN 0.837 nan 8.290 nan 0.000 0.534 402 D N -0.821 119.249 120.400 -0.550 0.000 2.891 402 D HA 0.158 4.798 4.640 0.000 0.000 0.312 402 D C 0.282 176.417 176.300 -0.275 0.000 1.354 402 D CA -0.804 52.920 54.000 -0.459 0.000 0.838 402 D CB -0.721 39.895 40.800 -0.306 0.000 1.117 402 D HN 0.248 nan 8.370 nan 0.000 0.473 403 Q N 0.204 119.820 119.800 -0.306 0.000 2.431 403 Q HA -0.274 4.066 4.340 0.000 0.000 0.344 403 Q C -0.679 175.276 176.000 -0.075 0.000 1.384 403 Q CA 0.357 56.092 55.803 -0.113 0.000 0.984 403 Q CB -2.154 26.684 28.738 0.167 0.000 1.204 403 Q HN 0.523 nan 8.270 nan 0.000 0.392 404 Y N -2.157 118.045 120.300 -0.164 0.000 3.491 404 Y HA -0.345 4.205 4.550 0.000 0.000 0.215 404 Y C 0.582 176.483 175.900 0.001 0.000 1.219 404 Y CA 1.332 59.348 58.100 -0.140 0.000 1.485 404 Y CB -2.461 35.769 38.460 -0.383 0.000 1.450 404 Y HN 0.636 nan 8.280 nan 0.000 0.603 405 E N -2.118 118.115 120.200 0.056 0.000 2.694 405 E HA -0.317 4.033 4.350 0.000 0.000 0.272 405 E C 0.580 177.225 176.600 0.076 0.000 1.040 405 E CA 0.652 57.090 56.400 0.064 0.000 0.809 405 E CB -0.619 29.141 29.700 0.100 0.000 1.389 405 E HN 0.577 nan 8.360 nan 0.000 0.413 406 Q N -1.670 118.184 119.800 0.090 0.000 2.159 406 Q HA 0.324 4.664 4.340 0.000 0.000 0.217 406 Q C 0.355 176.397 176.000 0.070 0.000 0.818 406 Q CA 0.624 56.484 55.803 0.096 0.000 1.008 406 Q CB 1.154 29.983 28.738 0.151 0.000 1.148 406 Q HN 0.364 nan 8.270 nan 0.000 0.491 407 A N 1.248 124.090 122.820 0.037 0.000 2.466 407 A HA 0.050 4.370 4.320 0.000 0.000 0.238 407 A C 0.094 177.699 177.584 0.034 0.000 1.074 407 A CA -0.008 52.041 52.037 0.021 0.000 0.774 407 A CB 0.156 19.142 19.000 -0.024 0.000 1.015 407 A HN 0.058 nan 8.150 nan 0.000 0.498 408 D N 0.873 121.292 120.400 0.031 0.000 2.631 408 D HA 0.407 5.047 4.640 0.000 0.000 0.227 408 D C 0.997 177.307 176.300 0.017 0.000 1.146 408 D CA 1.107 55.119 54.000 0.021 0.000 1.009 408 D CB -0.880 39.926 40.800 0.009 0.000 1.057 408 D HN 1.152 nan 8.370 nan 0.000 0.509 409 G N 3.025 111.842 108.800 0.027 0.000 2.256 409 G HA2 -0.307 3.653 3.960 0.000 0.000 0.272 409 G HA3 -0.307 3.653 3.960 0.000 0.000 0.272 409 G C 0.188 175.095 174.900 0.012 0.000 1.076 409 G CA -0.171 44.937 45.100 0.014 0.000 0.882 409 G HN 0.496 nan 8.290 nan 0.000 0.497 410 F N 1.704 121.599 119.950 -0.092 0.000 2.602 410 F HA 0.429 4.956 4.527 0.000 0.000 0.367 410 F C -0.844 174.900 175.800 -0.092 0.000 1.126 410 F CA -1.281 56.646 58.000 -0.122 0.000 1.321 410 F CB 0.722 39.608 39.000 -0.191 0.000 1.094 410 F HN 0.080 nan 8.300 nan 0.000 0.594 411 P HA 0.021 nan 4.420 nan 0.000 0.235 411 P C 0.323 177.448 177.300 -0.291 0.000 1.765 411 P CA 0.226 63.055 63.100 -0.451 0.000 1.034 411 P CB -0.096 31.335 31.700 -0.448 0.000 1.984 412 T N 0.940 115.496 114.554 0.002 0.000 2.746 412 T HA -0.133 4.217 4.350 0.000 0.000 0.267 412 T C 1.948 176.663 174.700 0.026 0.000 1.039 412 T CA 1.847 64.015 62.100 0.114 0.000 1.142 412 T CB -0.227 68.717 68.868 0.127 0.000 0.866 412 T HN 0.291 nan 8.240 nan 0.000 0.444 413 A N 1.082 123.909 122.820 0.011 0.000 1.969 413 A HA -0.116 4.204 4.320 0.000 0.000 0.218 413 A C 2.260 179.855 177.584 0.019 0.000 1.169 413 A CA 1.307 53.357 52.037 0.022 0.000 0.635 413 A CB -0.486 18.524 19.000 0.016 0.000 0.810 413 A HN 0.374 nan 8.150 nan 0.000 0.445 414 Q N -0.787 119.001 119.800 -0.021 0.000 2.172 414 Q HA -0.096 4.244 4.340 0.000 0.000 0.200 414 Q C 2.077 178.069 176.000 -0.013 0.000 0.964 414 Q CA 1.683 57.474 55.803 -0.021 0.000 0.855 414 Q CB -0.278 28.422 28.738 -0.063 0.000 0.918 414 Q HN 0.852 nan 8.270 nan 0.000 0.444 415 Q N -0.902 118.861 119.800 -0.062 0.000 2.137 415 Q HA -0.009 4.331 4.340 0.000 0.000 0.198 415 Q C 0.694 176.694 176.000 0.001 0.000 0.960 415 Q CA 1.118 56.833 55.803 -0.148 0.000 0.847 415 Q CB 0.101 28.624 28.738 -0.358 0.000 0.915 415 Q HN 0.451 nan 8.270 nan 0.000 0.448 416 G N -0.256 108.596 108.800 0.088 0.000 2.176 416 G HA2 -0.215 3.745 3.960 0.000 0.000 0.253 416 G HA3 -0.215 3.745 3.960 0.000 0.000 0.253 416 G C -0.347 174.788 174.900 0.392 0.000 0.979 416 G CA 0.446 45.743 45.100 0.329 0.000 0.641 416 G HN 0.408 nan 8.290 nan 0.000 0.530 417 W N -1.749 119.576 121.300 0.041 0.000 3.059 417 W HA 0.689 5.349 4.660 0.000 0.000 0.329 417 W C -1.041 175.465 176.519 -0.022 0.000 1.246 417 W CA -0.477 56.867 57.345 -0.003 0.000 1.190 417 W CB 0.480 29.856 29.460 -0.139 0.000 1.423 417 W HN 0.485 nan 8.180 nan 0.000 0.571 418 T N 1.635 116.323 114.554 0.223 0.000 3.109 418 T HA 0.594 4.944 4.350 0.000 0.000 0.311 418 T C 0.022 174.862 174.700 0.235 0.000 1.011 418 T CA 0.480 62.578 62.100 -0.004 0.000 1.026 418 T CB 1.091 69.945 68.868 -0.022 0.000 1.047 418 T HN 1.520 nan 8.240 nan 0.000 0.448 419 G N 2.062 110.989 108.800 0.210 0.000 2.814 419 G HA2 0.228 4.188 3.960 0.000 0.000 0.677 419 G HA3 0.228 4.188 3.960 0.000 0.000 0.677 419 G C -0.345 174.875 174.900 0.532 0.000 1.429 419 G CA -0.108 45.254 45.100 0.437 0.000 0.868 419 G HN 1.373 nan 8.290 nan 0.000 0.553 420 S N -1.350 114.604 115.700 0.423 0.000 2.636 420 S HA 0.749 5.219 4.470 0.000 0.000 0.268 420 S C -0.692 174.047 174.600 0.231 0.000 1.159 420 S CA -0.437 57.902 58.200 0.231 0.000 0.815 420 S CB 1.194 64.486 63.200 0.152 0.000 1.130 420 S HN 1.162 nan 8.310 nan 0.000 0.471 421 L N 2.323 123.654 121.223 0.179 0.000 2.344 421 L HA 0.578 4.918 4.340 0.000 0.000 0.272 421 L C -0.225 176.812 176.870 0.279 0.000 1.035 421 L CA -0.968 54.022 54.840 0.249 0.000 0.807 421 L CB 1.272 43.455 42.059 0.206 0.000 1.237 421 L HN 0.620 nan 8.230 nan 0.000 0.442 422 L N 1.468 122.848 121.223 0.261 0.000 2.479 422 L HA 0.333 4.673 4.340 0.000 0.000 0.249 422 L C 0.075 177.058 176.870 0.188 0.000 1.178 422 L CA -0.807 54.187 54.840 0.256 0.000 0.811 422 L CB 0.581 42.728 42.059 0.146 0.000 1.187 422 L HN 0.375 nan 8.230 nan 0.000 0.480 423 L N 1.494 122.766 121.223 0.081 0.000 2.525 423 L HA 0.074 4.414 4.340 0.000 0.000 0.278 423 L C -2.028 174.840 176.870 -0.003 0.000 1.218 423 L CA -1.565 53.250 54.840 -0.041 0.000 0.878 423 L CB -0.179 41.872 42.059 -0.013 0.000 1.127 423 L HN 0.278 nan 8.230 nan 0.000 0.492 424 P HA 0.084 nan 4.420 nan 0.000 0.264 424 P C -0.979 176.181 177.300 -0.233 0.000 1.183 424 P CA 0.348 63.230 63.100 -0.364 0.000 0.763 424 P CB 0.477 31.990 31.700 -0.312 0.000 0.807 425 R N 1.850 122.190 120.500 -0.267 0.000 2.686 425 R HA 0.374 4.714 4.340 0.000 0.000 0.286 425 R C -0.345 175.880 176.300 -0.125 0.000 0.969 425 R CA -0.796 55.236 56.100 -0.114 0.000 0.898 425 R CB 2.077 32.385 30.300 0.013 0.000 1.183 425 R HN 0.455 nan 8.270 nan 0.000 0.456 426 E N 2.170 122.319 120.200 -0.085 0.000 2.200 426 E HA 0.236 4.586 4.350 0.000 0.000 0.283 426 E C -0.900 175.677 176.600 -0.038 0.000 1.015 426 E CA -0.615 55.748 56.400 -0.061 0.000 0.819 426 E CB 1.091 30.751 29.700 -0.066 0.000 1.081 426 E HN 0.004 nan 8.360 nan 0.000 0.397 427 L N 4.211 125.431 121.223 -0.006 0.000 2.322 427 L HA 0.465 4.805 4.340 0.000 0.000 0.281 427 L C -0.145 176.629 176.870 -0.160 0.000 1.014 427 L CA -0.199 54.576 54.840 -0.108 0.000 0.815 427 L CB 1.144 43.141 42.059 -0.104 0.000 1.247 427 L HN 0.566 nan 8.230 nan 0.000 0.421 428 K N 1.224 121.459 120.400 -0.275 0.000 2.499 428 K HA 0.675 4.995 4.320 0.000 0.000 0.284 428 K C -1.657 174.735 176.600 -0.347 0.000 1.039 428 K CA -0.954 55.178 56.287 -0.258 0.000 0.873 428 K CB 1.279 33.711 32.500 -0.113 0.000 1.545 428 K HN 0.015 nan 8.250 nan 0.000 0.402 429 V N 1.743 121.532 119.914 -0.209 0.000 2.432 429 V HA 0.203 4.323 4.120 0.000 0.000 0.271 429 V C -0.483 175.585 176.094 -0.044 0.000 1.046 429 V CA -0.108 62.129 62.300 -0.105 0.000 0.945 429 V CB 0.764 32.606 31.823 0.033 0.000 0.992 429 V HN 0.685 nan 8.190 nan 0.000 0.471 430 Q N 3.996 123.784 119.800 -0.019 0.000 2.282 430 Q HA 0.587 4.927 4.340 0.000 0.000 0.260 430 Q C -0.211 175.819 176.000 0.051 0.000 0.964 430 Q CA -0.393 55.418 55.803 0.014 0.000 0.880 430 Q CB 1.887 30.636 28.738 0.018 0.000 1.286 430 Q HN 0.924 nan 8.270 nan 0.000 0.445 431 T N -0.175 114.403 114.554 0.040 0.000 2.895 431 T HA 0.761 5.111 4.350 0.000 0.000 0.283 431 T C -0.679 174.036 174.700 0.026 0.000 1.014 431 T CA -0.779 61.343 62.100 0.036 0.000 1.037 431 T CB 1.227 70.110 68.868 0.025 0.000 1.006 431 T HN 0.315 nan 8.240 nan 0.000 0.468 432 V N 2.937 122.852 119.914 0.002 0.000 2.349 432 V HA 0.386 4.506 4.120 0.000 0.000 0.284 432 V C 0.092 176.159 176.094 -0.046 0.000 1.014 432 V CA -0.785 61.506 62.300 -0.015 0.000 0.826 432 V CB 0.757 32.554 31.823 -0.044 0.000 1.009 432 V HN 0.961 nan 8.190 nan 0.000 0.431 433 E N 2.727 122.914 120.200 -0.022 0.000 2.280 433 E HA 0.397 4.747 4.350 0.000 0.000 0.261 433 E C 0.069 176.651 176.600 -0.030 0.000 1.088 433 E CA -0.717 55.667 56.400 -0.026 0.000 0.915 433 E CB 0.565 30.259 29.700 -0.010 0.000 1.141 433 E HN 0.769 nan 8.360 nan 0.000 0.433 434 N N -0.922 117.760 118.700 -0.029 0.000 2.716 434 N HA -0.177 4.563 4.740 0.000 0.000 0.250 434 N C -1.159 174.331 175.510 -0.033 0.000 1.033 434 N CA -0.032 53.003 53.050 -0.024 0.000 0.727 434 N CB -1.225 37.256 38.487 -0.009 0.000 0.950 434 N HN 0.051 nan 8.380 nan 0.000 0.541 435 V N 0.583 120.455 119.914 -0.070 0.000 2.465 435 V HA 0.250 4.370 4.120 0.000 0.000 0.279 435 V C 0.937 176.983 176.094 -0.081 0.000 1.045 435 V CA -0.842 61.396 62.300 -0.104 0.000 0.938 435 V CB 1.730 33.395 31.823 -0.263 0.000 0.986 435 V HN 0.059 nan 8.190 nan 0.000 0.467 436 V N 3.954 123.844 119.914 -0.039 0.000 2.479 436 V HA 0.036 4.156 4.120 0.000 0.000 0.281 436 V C 0.858 176.934 176.094 -0.030 0.000 1.031 436 V CA -0.040 62.250 62.300 -0.016 0.000 1.038 436 V CB 0.828 32.661 31.823 0.017 0.000 0.981 436 V HN 0.903 nan 8.190 nan 0.000 0.478 437 D N 5.018 125.402 120.400 -0.027 0.000 2.597 437 D HA 0.043 4.683 4.640 0.000 0.000 0.228 437 D C 0.268 176.576 176.300 0.013 0.000 1.120 437 D CA 0.024 54.011 54.000 -0.021 0.000 1.083 437 D CB -0.199 40.592 40.800 -0.015 0.000 1.116 437 D HN 0.835 nan 8.370 nan 0.000 0.487 438 N N -0.258 118.463 118.700 0.035 0.000 2.906 438 N HA 0.188 4.928 4.740 0.000 0.000 0.327 438 N C 0.827 176.396 175.510 0.098 0.000 1.344 438 N CA -0.625 52.463 53.050 0.063 0.000 0.823 438 N CB 0.328 38.858 38.487 0.070 0.000 1.351 438 N HN -0.265 nan 8.380 nan 0.000 0.604 439 E N -0.312 119.951 120.200 0.104 0.000 2.219 439 E HA -0.092 4.258 4.350 0.000 0.000 0.198 439 E C 1.318 178.036 176.600 0.197 0.000 0.998 439 E CA 1.038 57.514 56.400 0.128 0.000 0.818 439 E CB -0.459 29.306 29.700 0.109 0.000 0.741 439 E HN 0.502 nan 8.360 nan 0.000 0.477 440 L N -0.295 121.067 121.223 0.232 0.000 2.291 440 L HA -0.074 4.266 4.340 0.000 0.000 0.214 440 L C 1.553 178.721 176.870 0.497 0.000 1.120 440 L CA 0.492 55.549 54.840 0.361 0.000 0.799 440 L CB 0.063 42.342 42.059 0.365 0.000 0.925 440 L HN 0.095 nan 8.230 nan 0.000 0.446 441 V N -1.715 118.373 119.914 0.290 0.000 3.565 441 V HA 0.068 4.188 4.120 0.000 0.000 0.260 441 V C 1.814 178.091 176.094 0.304 0.000 1.231 441 V CA 0.445 62.871 62.300 0.210 0.000 1.100 441 V CB -0.130 31.645 31.823 -0.080 0.000 0.807 441 V HN 0.316 nan 8.190 nan 0.000 0.454 442 R N 0.513 121.139 120.500 0.210 0.000 2.393 442 R HA 0.282 4.622 4.340 0.000 0.000 0.244 442 R C 0.745 177.107 176.300 0.103 0.000 0.920 442 R CA -0.194 55.986 56.100 0.134 0.000 1.076 442 R CB 0.059 30.408 30.300 0.081 0.000 1.119 442 R HN 0.610 nan 8.270 nan 0.000 0.524 443 E N 1.709 122.001 120.200 0.153 0.000 2.442 443 E HA -0.073 4.277 4.350 0.000 0.000 0.260 443 E C -0.572 176.011 176.600 -0.029 0.000 1.148 443 E CA 0.322 56.779 56.400 0.096 0.000 0.976 443 E CB 0.661 30.472 29.700 0.185 0.000 0.967 443 E HN 0.103 nan 8.360 nan 0.000 0.454 444 E N 0.459 120.631 120.200 -0.047 0.000 2.266 444 E HA 0.315 4.665 4.350 0.000 0.000 0.277 444 E C -0.056 176.410 176.600 -0.222 0.000 1.018 444 E CA 0.044 56.357 56.400 -0.146 0.000 0.840 444 E CB 1.317 30.936 29.700 -0.134 0.000 1.082 444 E HN 0.790 nan 8.360 nan 0.000 0.395 445 G N 1.326 109.885 108.800 -0.401 0.000 2.351 445 G HA2 -0.218 3.742 3.960 0.000 0.000 0.297 445 G HA3 -0.218 3.742 3.960 0.000 0.000 0.297 445 G C 0.161 174.952 174.900 -0.182 0.000 1.054 445 G CA 0.470 45.197 45.100 -0.621 0.000 1.123 445 G HN 0.392 nan 8.290 nan 0.000 0.512 446 V N -3.075 116.634 119.914 -0.343 0.000 3.345 446 V HA 0.910 5.030 4.120 0.000 0.000 0.308 446 V C 0.955 176.714 176.094 -0.559 0.000 1.168 446 V CA 0.001 61.695 62.300 -1.010 0.000 1.024 446 V CB 1.882 32.336 31.823 -2.282 0.000 1.211 446 V HN 0.528 nan 8.190 nan 0.000 0.461 447 S N 1.288 116.564 115.700 -0.707 0.000 2.519 447 S HA 0.448 4.918 4.470 0.000 0.000 0.245 447 S C -0.648 174.206 174.600 0.422 0.000 1.152 447 S CA -0.322 57.902 58.200 0.041 0.000 1.175 447 S CB -1.117 62.380 63.200 0.495 0.000 0.829 447 S HN 0.978 nan 8.310 nan 0.000 0.472 448 W N -0.627 120.789 121.300 0.194 0.000 3.173 448 W HA 0.612 5.272 4.660 0.000 0.000 0.313 448 W C -1.737 174.842 176.519 0.100 0.000 1.228 448 W CA -1.422 56.032 57.345 0.183 0.000 1.185 448 W CB 0.202 29.757 29.460 0.157 0.000 1.390 448 W HN -0.006 nan 8.180 nan 0.000 0.568 449 V N -0.370 119.751 119.914 0.345 0.000 2.914 449 V HA 0.830 4.950 4.120 0.000 0.000 0.314 449 V C -0.713 175.503 176.094 0.204 0.000 1.084 449 V CA -1.463 60.959 62.300 0.203 0.000 0.963 449 V CB 1.186 33.071 31.823 0.102 0.000 1.025 449 V HN 0.725 nan 8.190 nan 0.000 0.432 450 V N 3.920 123.916 119.914 0.138 0.000 2.439 450 V HA 0.385 4.505 4.120 0.000 0.000 0.271 450 V C 1.627 177.748 176.094 0.044 0.000 1.040 450 V CA 1.017 63.361 62.300 0.073 0.000 1.002 450 V CB 0.149 31.999 31.823 0.044 0.000 1.000 450 V HN 1.214 nan 8.190 nan 0.000 0.477 451 G N 5.145 113.964 108.800 0.033 0.000 2.524 451 G HA2 -0.056 3.904 3.960 0.000 0.000 0.215 451 G HA3 -0.056 3.904 3.960 0.000 0.000 0.215 451 G C 0.381 175.288 174.900 0.012 0.000 1.239 451 G CA 0.856 45.971 45.100 0.025 0.000 0.798 451 G HN 0.831 nan 8.290 nan 0.000 0.557 452 E N -2.395 117.806 120.200 0.002 0.000 2.383 452 E HA 0.640 4.990 4.350 0.000 0.000 0.275 452 E C -1.672 174.923 176.600 -0.009 0.000 0.918 452 E CA -0.969 55.430 56.400 -0.001 0.000 0.764 452 E CB 2.086 31.785 29.700 -0.000 0.000 1.252 452 E HN 0.051 nan 8.360 nan 0.000 0.449 453 S N 0.895 116.591 115.700 -0.007 0.000 2.584 453 S HA 0.184 4.654 4.470 0.000 0.000 0.282 453 S C -1.255 173.342 174.600 -0.006 0.000 1.138 453 S CA -0.606 57.589 58.200 -0.010 0.000 0.987 453 S CB 0.905 64.100 63.200 -0.008 0.000 1.137 453 S HN 0.601 nan 8.310 nan 0.000 0.457 454 D N 2.771 123.167 120.400 -0.006 0.000 2.379 454 D HA 0.257 4.897 4.640 0.000 0.000 0.208 454 D C 0.883 177.181 176.300 -0.003 0.000 1.065 454 D CA -0.029 53.969 54.000 -0.004 0.000 0.848 454 D CB 0.210 41.008 40.800 -0.004 0.000 0.949 454 D HN 0.666 nan 8.370 nan 0.000 0.509 455 N N 0.255 118.953 118.700 -0.004 0.000 2.949 455 N HA -0.145 4.595 4.740 0.000 0.000 0.180 455 N C 0.875 176.384 175.510 -0.001 0.000 1.101 455 N CA 0.661 53.710 53.050 -0.001 0.000 1.016 455 N CB -0.422 38.065 38.487 0.001 0.000 0.978 455 N HN 0.441 nan 8.380 nan 0.000 0.558 456 Q N 1.274 121.072 119.800 -0.003 0.000 2.713 456 Q HA 0.133 4.473 4.340 0.000 0.000 0.200 456 Q C 0.488 176.481 176.000 -0.012 0.000 1.194 456 Q CA 0.750 56.550 55.803 -0.005 0.000 1.240 456 Q CB -0.632 28.104 28.738 -0.004 0.000 1.902 456 Q HN 0.295 nan 8.270 nan 0.000 0.655 457 T N -1.855 112.691 114.554 -0.014 0.000 2.946 457 T HA 0.372 4.722 4.350 0.000 0.000 0.312 457 T C -0.227 174.454 174.700 -0.033 0.000 1.066 457 T CA -0.202 61.883 62.100 -0.025 0.000 1.138 457 T CB 0.402 69.257 68.868 -0.022 0.000 1.014 457 T HN 0.692 nan 8.240 nan 0.000 0.544 458 A N 3.118 125.905 122.820 -0.055 0.000 2.319 458 A HA 0.617 4.937 4.320 0.000 0.000 0.310 458 A C 0.447 177.979 177.584 -0.086 0.000 1.152 458 A CA -0.897 51.102 52.037 -0.062 0.000 0.783 458 A CB 1.002 19.961 19.000 -0.068 0.000 1.184 458 A HN 0.894 nan 8.150 nan 0.000 0.474 459 T N 3.034 117.555 114.554 -0.055 0.000 2.869 459 T HA 0.470 4.820 4.350 0.000 0.000 0.295 459 T C -0.150 174.518 174.700 -0.053 0.000 0.987 459 T CA 0.265 62.334 62.100 -0.052 0.000 1.109 459 T CB 0.157 69.013 68.868 -0.020 0.000 0.932 459 T HN 0.369 nan 8.240 nan 0.000 0.518 460 L N 3.288 124.466 121.223 -0.075 0.000 2.334 460 L HA 0.574 4.914 4.340 0.000 0.000 0.272 460 L C 0.520 177.419 176.870 0.049 0.000 1.020 460 L CA -0.444 54.373 54.840 -0.037 0.000 0.812 460 L CB 1.316 43.260 42.059 -0.193 0.000 1.264 460 L HN 0.462 nan 8.230 nan 0.000 0.439 461 R N 0.448 121.026 120.500 0.130 0.000 2.480 461 R HA 0.748 5.088 4.340 0.000 0.000 0.306 461 R C -0.702 175.753 176.300 0.260 0.000 0.958 461 R CA -0.497 55.699 56.100 0.159 0.000 0.861 461 R CB 2.113 32.496 30.300 0.138 0.000 1.171 461 R HN 0.668 nan 8.270 nan 0.000 0.445 462 T N 1.467 116.170 114.554 0.249 0.000 2.754 462 T HA 0.341 4.691 4.350 0.000 0.000 0.296 462 T C -1.661 173.116 174.700 0.127 0.000 1.205 462 T CA -0.709 61.586 62.100 0.324 0.000 1.009 462 T CB 1.185 70.298 68.868 0.409 0.000 1.368 462 T HN 0.325 nan 8.240 nan 0.000 0.509 463 L N 2.387 123.543 121.223 -0.110 0.000 2.360 463 L HA 0.680 5.020 4.340 0.000 0.000 0.276 463 L C 0.552 177.247 176.870 -0.292 0.000 1.121 463 L CA 0.254 54.763 54.840 -0.552 0.000 0.845 463 L CB 0.182 41.386 42.059 -1.425 0.000 1.143 463 L HN 0.681 nan 8.230 nan 0.000 0.452 464 G N 6.580 115.219 108.800 -0.268 0.000 2.338 464 G HA2 0.561 4.521 3.960 0.000 0.000 0.298 464 G HA3 0.561 4.521 3.960 0.000 0.000 0.298 464 G C -0.693 174.138 174.900 -0.114 0.000 1.140 464 G CA -0.489 44.539 45.100 -0.120 0.000 0.860 464 G HN 0.658 nan 8.290 nan 0.000 0.470 465 I N 2.354 122.921 120.570 -0.005 0.000 2.439 465 I HA 0.413 4.583 4.170 0.000 0.000 0.285 465 I C 0.009 176.195 176.117 0.114 0.000 1.021 465 I CA -0.598 60.731 61.300 0.050 0.000 1.091 465 I CB 2.206 40.273 38.000 0.112 0.000 1.242 465 I HN 0.610 nan 8.210 nan 0.000 0.439 466 T N 2.915 117.499 114.554 0.049 0.000 2.883 466 T HA 0.644 4.995 4.350 0.000 0.000 0.301 466 T C -0.374 174.266 174.700 -0.101 0.000 1.158 466 T CA -0.811 61.268 62.100 -0.036 0.000 1.007 466 T CB 1.696 70.528 68.868 -0.059 0.000 1.186 466 T HN 0.248 nan 8.240 nan 0.000 0.499 467 I N 2.024 122.428 120.570 -0.276 0.000 2.588 467 I HA 0.412 4.582 4.170 0.000 0.000 0.283 467 I C 1.346 177.370 176.117 -0.154 0.000 1.119 467 I CA -0.607 60.548 61.300 -0.242 0.000 1.419 467 I CB 0.582 38.374 38.000 -0.346 0.000 1.394 467 I HN 0.970 nan 8.210 nan 0.000 0.562 468 A N 7.100 129.841 122.820 -0.132 0.000 2.580 468 A HA -0.022 4.298 4.320 0.000 0.000 0.244 468 A C 1.737 179.253 177.584 -0.113 0.000 1.045 468 A CA -0.018 51.941 52.037 -0.131 0.000 0.761 468 A CB -0.007 18.903 19.000 -0.150 0.000 0.962 468 A HN 0.984 nan 8.150 nan 0.000 0.512 469 R N 2.108 122.545 120.500 -0.105 0.000 2.119 469 R HA -0.252 4.088 4.340 0.000 0.000 0.246 469 R C 0.970 177.212 176.300 -0.096 0.000 1.146 469 R CA 2.189 58.233 56.100 -0.093 0.000 0.962 469 R CB -0.448 29.804 30.300 -0.080 0.000 0.863 469 R HN 0.726 nan 8.270 nan 0.000 0.442 470 E N 0.479 120.615 120.200 -0.105 0.000 2.106 470 E HA -0.084 4.266 4.350 0.000 0.000 0.192 470 E C 1.991 178.517 176.600 -0.124 0.000 0.984 470 E CA 1.951 58.279 56.400 -0.120 0.000 0.806 470 E CB -0.139 29.482 29.700 -0.132 0.000 0.750 470 E HN 0.401 nan 8.360 nan 0.000 0.458 471 T N 0.403 114.906 114.554 -0.085 0.000 2.812 471 T HA -0.120 4.230 4.350 0.000 0.000 0.264 471 T C 1.759 176.446 174.700 -0.022 0.000 1.042 471 T CA 1.205 63.291 62.100 -0.024 0.000 1.140 471 T CB -0.089 68.789 68.868 0.018 0.000 0.870 471 T HN 0.079 nan 8.240 nan 0.000 0.445 472 K N 0.973 121.337 120.400 -0.061 0.000 2.057 472 K HA -0.018 4.302 4.320 0.000 0.000 0.207 472 K C 2.462 179.030 176.600 -0.054 0.000 1.049 472 K CA 1.157 57.407 56.287 -0.060 0.000 0.931 472 K CB -0.267 32.176 32.500 -0.095 0.000 0.714 472 K HN 0.266 nan 8.250 nan 0.000 0.440 473 A N 0.995 123.765 122.820 -0.083 0.000 1.902 473 A HA -0.097 4.223 4.320 0.000 0.000 0.217 473 A C 2.299 179.802 177.584 -0.134 0.000 1.181 473 A CA 1.829 53.809 52.037 -0.095 0.000 0.623 473 A CB -0.772 18.165 19.000 -0.106 0.000 0.818 473 A HN 0.464 nan 8.150 nan 0.000 0.443 474 A N -0.585 122.101 122.820 -0.223 0.000 2.015 474 A HA 0.044 4.364 4.320 0.000 0.000 0.219 474 A C 2.122 179.565 177.584 -0.234 0.000 1.163 474 A CA 1.301 53.053 52.037 -0.474 0.000 0.646 474 A CB -0.486 17.912 19.000 -1.004 0.000 0.806 474 A HN 0.476 nan 8.150 nan 0.000 0.448 475 L N -1.032 120.226 121.223 0.058 0.000 2.072 475 L HA -0.057 4.283 4.340 0.000 0.000 0.205 475 L C 1.849 178.794 176.870 0.125 0.000 1.079 475 L CA 0.923 55.897 54.840 0.223 0.000 0.752 475 L CB -0.246 41.908 42.059 0.159 0.000 0.906 475 L HN 0.347 nan 8.230 nan 0.000 0.436 476 L N -1.053 120.199 121.223 0.049 0.000 2.611 476 L HA 0.147 4.487 4.340 0.000 0.000 0.229 476 L C 2.407 179.285 176.870 0.013 0.000 1.137 476 L CA -0.070 54.794 54.840 0.039 0.000 0.901 476 L CB -0.372 41.699 42.059 0.020 0.000 1.098 476 L HN 0.115 nan 8.230 nan 0.000 0.456 477 A N 0.878 123.690 122.820 -0.014 0.000 1.877 477 A HA -0.134 4.186 4.320 0.000 0.000 0.216 477 A C 1.559 179.134 177.584 -0.015 0.000 1.186 477 A CA 1.540 53.550 52.037 -0.045 0.000 0.620 477 A CB -0.166 18.765 19.000 -0.116 0.000 0.822 477 A HN 0.488 nan 8.150 nan 0.000 0.443 478 N N -0.580 118.128 118.700 0.013 0.000 2.377 478 N HA 0.176 4.916 4.740 0.000 0.000 0.259 478 N C 0.171 175.707 175.510 0.043 0.000 1.332 478 N CA 0.392 53.455 53.050 0.022 0.000 0.877 478 N CB 0.911 39.408 38.487 0.017 0.000 1.299 478 N HN 0.359 nan 8.380 nan 0.000 0.501 479 G N 0.210 109.044 108.800 0.057 0.000 2.444 479 G HA2 0.182 4.142 3.960 0.000 0.000 0.268 479 G HA3 0.182 4.142 3.960 0.000 0.000 0.268 479 G C -0.051 174.887 174.900 0.062 0.000 1.203 479 G CA -0.059 45.087 45.100 0.076 0.000 0.835 479 G HN 0.051 nan 8.290 nan 0.000 0.543 480 S N -0.219 115.521 115.700 0.066 0.000 2.548 480 S HA 0.345 4.815 4.470 0.000 0.000 0.277 480 S C 0.173 174.806 174.600 0.055 0.000 1.315 480 S CA -0.557 57.675 58.200 0.053 0.000 1.050 480 S CB 0.544 63.774 63.200 0.051 0.000 0.918 480 S HN 0.417 nan 8.310 nan 0.000 0.497 481 V N 5.215 125.154 119.914 0.043 0.000 2.435 481 V HA 0.498 4.618 4.120 0.000 0.000 0.290 481 V C 0.005 176.119 176.094 0.033 0.000 1.030 481 V CA -0.519 61.806 62.300 0.041 0.000 0.881 481 V CB 1.724 33.568 31.823 0.034 0.000 0.983 481 V HN 0.956 nan 8.190 nan 0.000 0.445 482 T N 4.282 118.857 114.554 0.035 0.000 2.890 482 T HA 0.677 5.027 4.350 0.000 0.000 0.295 482 T C 0.003 174.712 174.700 0.015 0.000 0.993 482 T CA -0.224 61.892 62.100 0.027 0.000 0.979 482 T CB 1.547 70.436 68.868 0.035 0.000 0.967 482 T HN 0.903 nan 8.240 nan 0.000 0.441 483 A N 3.096 125.915 122.820 -0.002 0.000 2.252 483 A HA 0.823 5.143 4.320 0.000 0.000 0.305 483 A C -0.218 177.323 177.584 -0.072 0.000 1.097 483 A CA -0.639 51.383 52.037 -0.025 0.000 0.849 483 A CB 0.614 19.609 19.000 -0.008 0.000 1.142 483 A HN 0.647 nan 8.150 nan 0.000 0.499 484 E N 1.004 121.138 120.200 -0.110 0.000 2.272 484 E HA 0.251 4.601 4.350 0.000 0.000 0.269 484 E C -1.000 175.580 176.600 -0.034 0.000 0.877 484 E CA -0.700 55.612 56.400 -0.146 0.000 0.755 484 E CB 1.574 31.031 29.700 -0.405 0.000 1.192 484 E HN 0.638 nan 8.360 nan 0.000 0.422 485 E N 1.864 122.050 120.200 -0.024 0.000 2.452 485 E HA 0.000 4.350 4.350 0.000 0.000 0.261 485 E C -0.319 176.281 176.600 0.000 0.000 0.987 485 E CA 0.175 56.566 56.400 -0.014 0.000 0.926 485 E CB 0.570 30.250 29.700 -0.033 0.000 0.934 485 E HN 0.284 nan 8.360 nan 0.000 0.452 486 D N 2.143 122.554 120.400 0.017 0.000 2.478 486 D HA -0.024 4.616 4.640 0.000 0.000 0.234 486 D C 0.626 176.915 176.300 -0.019 0.000 1.154 486 D CA 0.912 54.937 54.000 0.041 0.000 0.874 486 D CB 0.680 41.496 40.800 0.027 0.000 1.198 486 D HN 0.301 nan 8.370 nan 0.000 0.455 487 R N -0.137 120.361 120.500 -0.004 0.000 2.680 487 R HA 0.435 4.775 4.340 0.000 0.000 0.269 487 R C -1.538 174.754 176.300 -0.013 0.000 1.026 487 R CA -0.589 55.450 56.100 -0.103 0.000 0.889 487 R CB 1.579 31.638 30.300 -0.402 0.000 1.241 487 R HN 0.356 nan 8.270 nan 0.000 0.463 488 T N 3.738 118.247 114.554 -0.074 0.000 2.863 488 T HA 0.531 4.881 4.350 0.000 0.000 0.285 488 T C -0.780 173.853 174.700 -0.112 0.000 1.009 488 T CA -0.601 61.438 62.100 -0.102 0.000 0.989 488 T CB 1.124 69.927 68.868 -0.108 0.000 1.004 488 T HN 0.298 nan 8.240 nan 0.000 0.455 489 L N 2.707 123.820 121.223 -0.183 0.000 2.410 489 L HA 0.466 4.806 4.340 0.000 0.000 0.270 489 L C 0.596 177.283 176.870 -0.306 0.000 0.983 489 L CA -0.659 54.067 54.840 -0.190 0.000 0.822 489 L CB 2.299 44.281 42.059 -0.128 0.000 1.285 489 L HN 0.714 nan 8.230 nan 0.000 0.409 490 Q N 0.181 119.942 119.800 -0.065 0.000 2.619 490 Q HA 0.110 4.450 4.340 0.000 0.000 0.230 490 Q C 0.496 176.617 176.000 0.201 0.000 0.871 490 Q CA 0.175 56.005 55.803 0.044 0.000 0.934 490 Q CB 0.796 29.540 28.738 0.011 0.000 1.183 490 Q HN 0.783 nan 8.270 nan 0.000 0.631 491 T N -0.701 113.930 114.554 0.129 0.000 2.913 491 T HA 0.628 4.978 4.350 0.000 0.000 0.287 491 T C 0.253 175.018 174.700 0.108 0.000 1.008 491 T CA -0.488 61.666 62.100 0.090 0.000 1.067 491 T CB 1.356 70.249 68.868 0.042 0.000 0.996 491 T HN 0.243 nan 8.240 nan 0.000 0.513 492 A N 1.560 124.379 122.820 -0.003 0.000 2.567 492 A HA 0.546 4.866 4.320 0.000 0.000 0.240 492 A C 0.654 178.252 177.584 0.023 0.000 1.053 492 A CA 0.086 52.086 52.037 -0.061 0.000 0.755 492 A CB -1.210 17.747 19.000 -0.072 0.000 0.978 492 A HN 1.819 nan 8.150 nan 0.000 0.507 493 A N 1.748 124.595 122.820 0.045 0.000 2.608 493 A HA 0.624 4.944 4.320 0.000 0.000 0.292 493 A C -1.226 176.466 177.584 0.180 0.000 1.066 493 A CA -0.366 51.734 52.037 0.104 0.000 0.676 493 A CB 1.125 20.183 19.000 0.096 0.000 1.277 493 A HN 1.514 nan 8.150 nan 0.000 0.413 494 V N 1.349 121.381 119.914 0.197 0.000 2.398 494 V HA 0.457 4.577 4.120 0.000 0.000 0.282 494 V C -0.795 175.428 176.094 0.215 0.000 1.014 494 V CA -0.474 61.979 62.300 0.256 0.000 0.838 494 V CB 1.296 33.257 31.823 0.229 0.000 1.018 494 V HN 0.745 nan 8.190 nan 0.000 0.432 495 V N 7.555 127.635 119.914 0.276 0.000 2.313 495 V HA 0.380 4.500 4.120 0.000 0.000 0.278 495 V C -1.976 174.361 176.094 0.405 0.000 1.017 495 V CA -1.839 60.628 62.300 0.279 0.000 0.823 495 V CB 1.759 33.705 31.823 0.206 0.000 1.010 495 V HN 0.646 nan 8.190 nan 0.000 0.443 496 P HA 0.099 nan 4.420 nan 0.000 0.269 496 P C -0.226 177.319 177.300 0.409 0.000 1.209 496 P CA -0.219 63.039 63.100 0.264 0.000 0.776 496 P CB 0.649 32.436 31.700 0.146 0.000 0.876 497 F N 1.216 121.202 119.950 0.060 0.000 2.589 497 F HA 0.047 4.574 4.527 0.000 0.000 0.352 497 F C 2.084 177.922 175.800 0.062 0.000 1.168 497 F CA -0.191 57.842 58.000 0.054 0.000 1.353 497 F CB -0.808 38.146 39.000 -0.077 0.000 1.116 497 F HN 0.434 nan 8.300 nan 0.000 0.608 498 A N 1.480 124.409 122.820 0.182 0.000 2.070 498 A HA -0.126 4.194 4.320 0.000 0.000 0.220 498 A C 0.680 178.324 177.584 0.101 0.000 1.159 498 A CA 1.312 53.412 52.037 0.105 0.000 0.656 498 A CB -0.393 18.635 19.000 0.048 0.000 0.800 498 A HN 0.708 nan 8.150 nan 0.000 0.453 499 Q N -0.611 119.270 119.800 0.135 0.000 2.313 499 Q HA 0.444 4.784 4.340 0.000 0.000 0.260 499 Q C -1.677 174.390 176.000 0.112 0.000 0.972 499 Q CA -0.331 55.529 55.803 0.095 0.000 0.886 499 Q CB 1.556 30.330 28.738 0.060 0.000 1.373 499 Q HN 0.272 nan 8.270 nan 0.000 0.416 500 S N 3.625 119.344 115.700 0.032 0.000 2.638 500 S HA 0.681 5.151 4.470 0.000 0.000 0.298 500 S C -2.399 172.141 174.600 -0.100 0.000 1.111 500 S CA -0.964 57.190 58.200 -0.077 0.000 1.027 500 S CB 1.394 64.510 63.200 -0.139 0.000 1.064 500 S HN 0.571 nan 8.310 nan 0.000 0.525 501 P HA 0.145 nan 4.420 nan 0.000 0.271 501 P C -0.066 177.196 177.300 -0.063 0.000 1.233 501 P CA -0.289 62.734 63.100 -0.128 0.000 0.789 501 P CB 0.479 32.038 31.700 -0.236 0.000 0.951 502 S N -1.655 114.050 115.700 0.008 0.000 2.575 502 S HA 0.292 4.762 4.470 0.000 0.000 0.237 502 S C 0.449 175.092 174.600 0.071 0.000 0.975 502 S CA -0.231 57.987 58.200 0.030 0.000 0.960 502 S CB -0.718 62.505 63.200 0.037 0.000 0.822 502 S HN 0.680 nan 8.310 nan 0.000 0.472 503 S N 0.546 116.308 115.700 0.103 0.000 2.656 503 S HA 0.522 4.992 4.470 0.000 0.000 0.273 503 S C -1.040 173.658 174.600 0.163 0.000 1.168 503 S CA -1.086 57.211 58.200 0.162 0.000 0.817 503 S CB 0.958 64.340 63.200 0.303 0.000 1.146 503 S HN 0.182 nan 8.310 nan 0.000 0.475 504 K N 0.693 121.075 120.400 -0.030 0.000 2.969 504 K HA 0.341 4.661 4.320 0.000 0.000 0.222 504 K C -1.482 174.762 176.600 -0.594 0.000 1.172 504 K CA 0.035 56.215 56.287 -0.179 0.000 1.192 504 K CB -0.467 31.850 32.500 -0.305 0.000 1.111 504 K HN 0.466 nan 8.250 nan 0.000 0.457 505 F N 1.868 121.954 119.950 0.227 0.000 2.771 505 F HA 0.348 4.875 4.527 0.000 0.000 0.365 505 F C -0.562 175.359 175.800 0.201 0.000 1.169 505 F CA -1.309 56.743 58.000 0.087 0.000 1.093 505 F CB 0.740 39.792 39.000 0.087 0.000 1.363 505 F HN 0.043 nan 8.300 nan 0.000 0.496 506 F N -0.117 119.920 119.950 0.146 0.000 2.773 506 F HA 0.847 5.374 4.527 0.000 0.000 0.314 506 F C -2.141 173.702 175.800 0.072 0.000 1.160 506 F CA -1.611 56.448 58.000 0.098 0.000 0.920 506 F CB 1.086 40.114 39.000 0.046 0.000 1.323 506 F HN -0.107 nan 8.300 nan 0.000 0.457 507 V N 2.766 122.857 119.914 0.295 0.000 2.378 507 V HA 0.553 4.673 4.120 0.000 0.000 0.288 507 V C -1.032 175.215 176.094 0.254 0.000 1.016 507 V CA -0.548 61.861 62.300 0.183 0.000 0.840 507 V CB 1.316 33.211 31.823 0.120 0.000 0.994 507 V HN 0.804 nan 8.190 nan 0.000 0.431 508 L N 6.127 127.488 121.223 0.229 0.000 2.296 508 L HA 0.872 5.212 4.340 0.000 0.000 0.286 508 L C 0.217 177.113 176.870 0.044 0.000 1.023 508 L CA 0.429 55.340 54.840 0.118 0.000 0.812 508 L CB 1.765 43.853 42.059 0.048 0.000 1.223 508 L HN 0.825 nan 8.230 nan 0.000 0.421 509 T N 2.642 117.215 114.554 0.030 0.000 2.861 509 T HA 0.980 5.330 4.350 0.000 0.000 0.287 509 T C -0.530 174.213 174.700 0.071 0.000 1.003 509 T CA -0.228 61.906 62.100 0.057 0.000 0.977 509 T CB 1.691 70.598 68.868 0.066 0.000 0.996 509 T HN 1.134 nan 8.240 nan 0.000 0.448 510 A N 2.194 125.101 122.820 0.145 0.000 2.605 510 A HA 0.713 5.033 4.320 0.000 0.000 0.294 510 A C -1.480 176.258 177.584 0.257 0.000 1.062 510 A CA -1.010 51.182 52.037 0.258 0.000 0.682 510 A CB 1.629 20.923 19.000 0.490 0.000 1.278 510 A HN 0.792 nan 8.150 nan 0.000 0.410 511 Q N 0.295 120.235 119.800 0.234 0.000 2.331 511 Q HA 0.635 4.975 4.340 0.000 0.000 0.267 511 Q C -1.667 174.374 176.000 0.070 0.000 1.006 511 Q CA -0.642 55.236 55.803 0.125 0.000 0.818 511 Q CB 2.166 30.945 28.738 0.068 0.000 1.276 511 Q HN 0.562 nan 8.270 nan 0.000 0.450 512 L N 2.380 123.553 121.223 -0.084 0.000 2.322 512 L HA 0.414 4.754 4.340 0.000 0.000 0.281 512 L C -0.480 176.022 176.870 -0.613 0.000 1.014 512 L CA -0.111 54.469 54.840 -0.433 0.000 0.815 512 L CB 1.802 43.561 42.059 -0.500 0.000 1.247 512 L HN 0.530 nan 8.230 nan 0.000 0.421 513 E N 2.953 122.728 120.200 -0.709 0.000 2.187 513 E HA 0.583 4.933 4.350 0.000 0.000 0.268 513 E C -1.425 174.788 176.600 -0.644 0.000 0.896 513 E CA -0.489 55.600 56.400 -0.518 0.000 0.766 513 E CB 1.829 31.376 29.700 -0.256 0.000 1.142 513 E HN 0.213 nan 8.360 nan 0.000 0.408 514 F N 2.604 122.543 119.950 -0.019 0.000 2.538 514 F HA 0.448 4.975 4.527 0.000 0.000 0.325 514 F C -2.005 173.780 175.800 -0.026 0.000 1.066 514 F CA -2.451 55.559 58.000 0.017 0.000 0.946 514 F CB 1.149 40.279 39.000 0.217 0.000 1.199 514 F HN 0.244 nan 8.300 nan 0.000 0.473 515 P HA 0.238 nan 4.420 nan 0.000 0.288 515 P C -0.034 177.255 177.300 -0.019 0.000 1.267 515 P CA -0.227 62.893 63.100 0.034 0.000 0.815 515 P CB 1.717 33.422 31.700 0.009 0.000 0.989 516 A N 3.667 126.470 122.820 -0.028 0.000 1.971 516 A HA -0.263 4.057 4.320 0.000 0.000 0.222 516 A C 2.124 179.636 177.584 -0.119 0.000 1.182 516 A CA 2.751 54.750 52.037 -0.063 0.000 0.649 516 A CB -1.841 17.140 19.000 -0.032 0.000 0.818 516 A HN 0.693 nan 8.150 nan 0.000 0.458 517 S N -0.391 115.255 115.700 -0.091 0.000 2.500 517 S HA 0.135 4.605 4.470 0.000 0.000 0.239 517 S C 1.762 176.267 174.600 -0.159 0.000 0.989 517 S CA 1.136 59.277 58.200 -0.098 0.000 0.951 517 S CB -0.494 62.672 63.200 -0.056 0.000 0.759 517 S HN 0.965 nan 8.310 nan 0.000 0.523 518 A N 2.174 124.844 122.820 -0.250 0.000 2.016 518 A HA 0.143 4.463 4.320 0.000 0.000 0.217 518 A C 2.287 179.429 177.584 -0.737 0.000 1.162 518 A CA 0.454 52.252 52.037 -0.398 0.000 0.662 518 A CB -0.441 18.344 19.000 -0.357 0.000 0.812 518 A HN 0.484 nan 8.150 nan 0.000 0.450 519 R N 0.616 120.619 120.500 -0.828 0.000 2.133 519 R HA -0.173 4.167 4.340 0.000 0.000 0.247 519 R C 2.248 178.379 176.300 -0.280 0.000 1.151 519 R CA 1.914 57.599 56.100 -0.692 0.000 0.971 519 R CB -0.441 29.668 30.300 -0.318 0.000 0.866 519 R HN 0.696 nan 8.270 nan 0.000 0.447 520 S N -0.136 115.446 115.700 -0.196 0.000 2.558 520 S HA 0.007 4.477 4.470 0.000 0.000 0.217 520 S C 0.975 175.534 174.600 -0.069 0.000 0.975 520 S CA -0.050 58.095 58.200 -0.092 0.000 0.912 520 S CB 0.099 63.258 63.200 -0.068 0.000 0.776 520 S HN 0.260 nan 8.310 nan 0.000 0.526 521 S N 1.734 117.380 115.700 -0.091 0.000 2.681 521 S HA 0.527 4.997 4.470 0.000 0.000 0.270 521 S C -2.743 171.849 174.600 -0.013 0.000 1.209 521 S CA -1.262 56.909 58.200 -0.048 0.000 0.988 521 S CB 0.438 63.610 63.200 -0.047 0.000 1.006 521 S HN 0.061 nan 8.310 nan 0.000 0.558 522 P HA 0.291 nan 4.420 nan 0.000 0.249 522 P C -0.086 177.196 177.300 -0.030 0.000 1.544 522 P CA -0.405 62.683 63.100 -0.021 0.000 0.932 522 P CB -0.212 31.468 31.700 -0.034 0.000 1.524 523 L N 0.541 121.769 121.223 0.009 0.000 2.490 523 L HA 0.055 4.395 4.340 0.000 0.000 0.274 523 L C -0.297 176.564 176.870 -0.014 0.000 1.201 523 L CA 0.696 55.545 54.840 0.016 0.000 0.869 523 L CB 0.234 42.383 42.059 0.150 0.000 1.123 523 L HN 0.073 nan 8.230 nan 0.000 0.484 524 Q N 4.326 124.072 119.800 -0.090 0.000 2.294 524 Q HA 0.441 4.781 4.340 0.000 0.000 0.264 524 Q C -1.483 174.473 176.000 -0.073 0.000 0.992 524 Q CA -0.554 55.194 55.803 -0.093 0.000 0.747 524 Q CB 2.134 30.682 28.738 -0.316 0.000 1.262 524 Q HN 0.677 nan 8.270 nan 0.000 0.452 525 S N 0.588 116.430 115.700 0.237 0.000 2.547 525 S HA 0.933 5.403 4.470 0.000 0.000 0.281 525 S C -0.313 174.588 174.600 0.502 0.000 1.118 525 S CA -0.348 58.043 58.200 0.319 0.000 0.947 525 S CB 1.944 65.401 63.200 0.428 0.000 1.053 525 S HN 0.852 nan 8.310 nan 0.000 0.482 526 G N 1.434 110.542 108.800 0.514 0.000 2.725 526 G HA2 0.613 4.573 3.960 0.000 0.000 0.098 526 G HA3 0.613 4.573 3.960 0.000 0.000 0.098 526 G C -1.959 172.868 174.900 -0.121 0.000 1.188 526 G CA -0.407 44.894 45.100 0.334 0.000 1.237 526 G HN 0.502 nan 8.290 nan 0.000 0.596 527 F N 0.008 120.212 119.950 0.424 0.000 2.685 527 F HA 0.710 5.237 4.527 -0.000 0.000 0.315 527 F C -0.410 175.467 175.800 0.128 0.000 1.126 527 F CA -0.751 57.378 58.000 0.215 0.000 0.950 527 F CB 2.393 41.423 39.000 0.049 0.000 1.360 527 F HN 0.273 nan 8.300 nan 0.000 0.469 528 E N 1.991 122.331 120.200 0.233 0.000 2.199 528 E HA 0.658 5.008 4.350 0.000 0.000 0.265 528 E C -1.233 175.373 176.600 0.009 0.000 0.882 528 E CA -0.612 55.837 56.400 0.081 0.000 0.759 528 E CB 2.570 32.293 29.700 0.038 0.000 1.148 528 E HN 0.557 nan 8.360 nan 0.000 0.412 529 I N -0.601 119.978 120.570 0.016 0.000 3.108 529 I HA 0.449 4.619 4.170 0.000 0.000 0.312 529 I C 0.027 176.162 176.117 0.031 0.000 1.095 529 I CA -1.192 60.106 61.300 -0.003 0.000 1.000 529 I CB 1.397 39.456 38.000 0.099 0.000 1.229 529 I HN 0.596 nan 8.210 nan 0.000 0.454 530 L N 0.443 121.699 121.223 0.054 0.000 3.737 530 L HA -0.223 4.117 4.340 0.000 0.000 0.418 530 L C 0.132 177.033 176.870 0.051 0.000 1.216 530 L CA 0.582 55.467 54.840 0.075 0.000 0.915 530 L CB -1.710 40.403 42.059 0.090 0.000 1.834 530 L HN 0.876 nan 8.230 nan 0.000 0.943 531 A N -0.089 122.738 122.820 0.012 0.000 2.330 531 A HA 0.850 5.170 4.320 0.000 0.000 0.327 531 A C 0.332 177.921 177.584 0.008 0.000 1.155 531 A CA 0.420 52.465 52.037 0.013 0.000 0.803 531 A CB 1.534 20.530 19.000 -0.006 0.000 1.208 531 A HN 0.413 nan 8.150 nan 0.000 0.477 532 S N 0.720 116.431 115.700 0.019 0.000 3.132 532 S HA 0.451 4.921 4.470 0.000 0.000 0.322 532 S C 0.812 175.405 174.600 -0.013 0.000 1.124 532 S CA 0.174 58.371 58.200 -0.006 0.000 0.906 532 S CB 0.636 63.824 63.200 -0.021 0.000 1.349 532 S HN 0.683 nan 8.310 nan 0.000 0.686 533 E N -0.170 120.003 120.200 -0.045 0.000 2.112 533 E HA 0.111 4.461 4.350 0.000 0.000 0.190 533 E C 1.254 177.841 176.600 -0.023 0.000 0.979 533 E CA 0.713 57.091 56.400 -0.036 0.000 0.814 533 E CB -0.217 29.450 29.700 -0.055 0.000 0.762 533 E HN 0.609 nan 8.360 nan 0.000 0.460 534 L N 0.595 121.797 121.223 -0.036 0.000 2.628 534 L HA 0.273 4.613 4.340 0.000 0.000 0.229 534 L C 0.015 176.943 176.870 0.096 0.000 1.137 534 L CA 0.170 55.028 54.840 0.030 0.000 0.909 534 L CB 0.131 42.218 42.059 0.048 0.000 1.137 534 L HN -0.024 nan 8.230 nan 0.000 0.470 535 E N 0.508 120.760 120.200 0.087 0.000 2.392 535 E HA 0.632 4.982 4.350 0.000 0.000 0.279 535 E C -0.997 175.641 176.600 0.064 0.000 0.964 535 E CA -0.873 55.591 56.400 0.107 0.000 0.777 535 E CB 2.781 32.597 29.700 0.193 0.000 1.249 535 E HN 0.099 nan 8.360 nan 0.000 0.449 536 R N -0.621 119.908 120.500 0.048 0.000 2.753 536 R HA 0.569 4.909 4.340 0.000 0.000 0.272 536 R C -1.803 174.504 176.300 0.012 0.000 1.034 536 R CA -0.723 55.392 56.100 0.024 0.000 0.869 536 R CB 1.549 31.852 30.300 0.005 0.000 1.264 536 R HN 0.349 nan 8.270 nan 0.000 0.481 537 T N 1.049 115.609 114.554 0.008 0.000 2.937 537 T HA 0.710 5.060 4.350 0.000 0.000 0.297 537 T C -1.054 173.649 174.700 0.006 0.000 0.991 537 T CA -0.403 61.696 62.100 -0.001 0.000 0.990 537 T CB 1.605 70.475 68.868 0.004 0.000 0.991 537 T HN 0.757 nan 8.240 nan 0.000 0.440 538 A N 3.831 126.647 122.820 -0.007 0.000 2.305 538 A HA 0.860 5.180 4.320 0.000 0.000 0.322 538 A C -0.399 177.199 177.584 0.023 0.000 1.187 538 A CA -0.644 51.404 52.037 0.020 0.000 0.825 538 A CB 0.252 19.248 19.000 -0.007 0.000 1.164 538 A HN 0.875 nan 8.150 nan 0.000 0.498 539 I N 3.627 124.274 120.570 0.128 0.000 2.476 539 I HA 0.413 4.583 4.170 0.000 0.000 0.281 539 I C -1.196 175.080 176.117 0.265 0.000 1.040 539 I CA -0.444 60.914 61.300 0.096 0.000 1.094 539 I CB 1.027 39.133 38.000 0.178 0.000 1.219 539 I HN 0.788 nan 8.210 nan 0.000 0.450 540 Y N 4.469 124.885 120.300 0.193 0.000 2.588 540 Y HA 0.592 5.142 4.550 0.000 0.000 0.343 540 Y C -1.519 174.478 175.900 0.161 0.000 1.065 540 Y CA -1.679 56.576 58.100 0.258 0.000 1.038 540 Y CB 0.869 39.554 38.460 0.375 0.000 1.297 540 Y HN 0.385 nan 8.280 nan 0.000 0.467 541 Y N 2.143 122.606 120.300 0.273 0.000 2.310 541 Y HA 0.513 5.063 4.550 0.000 0.000 0.326 541 Y C -0.531 175.349 175.900 -0.033 0.000 1.151 541 Y CA -0.593 57.498 58.100 -0.015 0.000 1.195 541 Y CB 1.547 39.928 38.460 -0.132 0.000 1.210 541 Y HN 0.822 nan 8.280 nan 0.000 0.483 542 Q N 4.946 124.141 119.800 -1.009 0.000 2.310 542 Q HA 0.279 4.620 4.340 0.000 0.000 0.270 542 Q C -0.795 174.631 176.000 -0.957 0.000 1.025 542 Q CA -0.526 54.889 55.803 -0.648 0.000 0.772 542 Q CB 0.854 29.449 28.738 -0.239 0.000 1.253 542 Q HN 0.883 nan 8.270 nan 0.000 0.450 543 F N 0.687 120.350 119.950 -0.478 0.000 2.367 543 F HA -0.131 4.396 4.527 0.000 0.000 0.298 543 F C 2.476 178.159 175.800 -0.195 0.000 1.094 543 F CA 1.282 59.106 58.000 -0.293 0.000 1.409 543 F CB 0.052 38.951 39.000 -0.168 0.000 1.064 543 F HN 0.672 nan 8.300 nan 0.000 0.528 544 S N 1.274 116.972 115.700 -0.004 0.000 2.392 544 S HA -0.268 4.202 4.470 0.000 0.000 0.232 544 S C 1.316 175.887 174.600 -0.047 0.000 1.041 544 S CA 1.870 60.059 58.200 -0.017 0.000 1.026 544 S CB -0.777 62.404 63.200 -0.032 0.000 0.845 544 S HN 0.574 nan 8.310 nan 0.000 0.465 545 N N 0.036 118.663 118.700 -0.121 0.000 2.240 545 N HA 0.128 4.868 4.740 0.000 0.000 0.240 545 N C -0.873 174.505 175.510 -0.220 0.000 1.277 545 N CA 0.134 53.099 53.050 -0.143 0.000 0.873 545 N CB -0.740 37.656 38.487 -0.150 0.000 1.222 545 N HN 0.568 nan 8.380 nan 0.000 0.507 546 E N -0.011 120.024 120.200 -0.276 0.000 2.222 546 E HA -0.177 4.173 4.350 0.000 0.000 0.189 546 E C -1.132 175.173 176.600 -0.493 0.000 1.415 546 E CA 0.584 56.760 56.400 -0.373 0.000 0.689 546 E CB -1.665 28.041 29.700 0.009 0.000 1.107 546 E HN 0.345 nan 8.360 nan 0.000 0.350 547 S N 0.795 116.048 115.700 -0.745 0.000 2.547 547 S HA 0.451 4.921 4.470 0.000 0.000 0.281 547 S C -0.210 174.083 174.600 -0.511 0.000 1.118 547 S CA -0.770 57.112 58.200 -0.530 0.000 0.947 547 S CB 1.346 64.307 63.200 -0.398 0.000 1.053 547 S HN 0.266 nan 8.310 nan 0.000 0.482 548 L N 3.414 124.411 121.223 -0.377 0.000 2.313 548 L HA 0.473 4.813 4.340 0.000 0.000 0.282 548 L C -0.722 176.009 176.870 -0.232 0.000 1.092 548 L CA -0.395 54.300 54.840 -0.242 0.000 0.831 548 L CB 0.862 42.738 42.059 -0.305 0.000 1.159 548 L HN 0.331 nan 8.230 nan 0.000 0.442 549 V N 4.685 124.379 119.914 -0.367 0.000 2.555 549 V HA 0.394 4.514 4.120 0.000 0.000 0.302 549 V C -0.092 175.719 176.094 -0.472 0.000 1.038 549 V CA -0.674 61.345 62.300 -0.469 0.000 0.887 549 V CB 2.331 33.714 31.823 -0.734 0.000 0.991 549 V HN 0.368 nan 8.190 nan 0.000 0.434 550 V N 3.358 123.118 119.914 -0.257 0.000 2.326 550 V HA 0.338 4.458 4.120 0.000 0.000 0.281 550 V C -0.380 175.631 176.094 -0.139 0.000 1.015 550 V CA -0.474 61.725 62.300 -0.167 0.000 0.823 550 V CB 1.503 33.280 31.823 -0.077 0.000 1.009 550 V HN 0.903 nan 8.190 nan 0.000 0.436 551 D N 4.704 125.028 120.400 -0.126 0.000 2.347 551 D HA 0.272 4.913 4.640 0.000 0.000 0.235 551 D C 0.758 177.029 176.300 -0.047 0.000 1.149 551 D CA -0.325 53.647 54.000 -0.047 0.000 0.850 551 D CB 1.045 41.869 40.800 0.041 0.000 1.061 551 D HN 0.453 nan 8.370 nan 0.000 0.487 552 R N 1.653 122.115 120.500 -0.063 0.000 2.432 552 R HA 0.035 4.375 4.340 0.000 0.000 0.260 552 R C 1.878 178.135 176.300 -0.073 0.000 0.935 552 R CA 0.018 56.067 56.100 -0.085 0.000 1.080 552 R CB 0.347 30.555 30.300 -0.152 0.000 1.155 552 R HN 0.382 nan 8.270 nan 0.000 0.531 553 S N 0.506 116.179 115.700 -0.044 0.000 2.440 553 S HA -0.194 4.276 4.470 0.000 0.000 0.238 553 S C 1.519 176.103 174.600 -0.026 0.000 1.010 553 S CA 1.055 59.235 58.200 -0.032 0.000 0.972 553 S CB 0.054 63.247 63.200 -0.012 0.000 0.774 553 S HN 0.363 nan 8.310 nan 0.000 0.501 554 Q N -0.436 119.352 119.800 -0.021 0.000 2.139 554 Q HA 0.236 4.576 4.340 0.000 0.000 0.219 554 Q C 1.052 177.058 176.000 0.010 0.000 0.805 554 Q CA 0.094 55.894 55.803 -0.004 0.000 1.024 554 Q CB 0.592 29.329 28.738 -0.001 0.000 1.163 554 Q HN 0.499 nan 8.270 nan 0.000 0.485 555 T N 0.136 114.685 114.554 -0.008 0.000 2.652 555 T HA -0.106 4.244 4.350 0.000 0.000 0.267 555 T C 0.904 175.633 174.700 0.048 0.000 1.039 555 T CA 1.242 63.345 62.100 0.005 0.000 1.153 555 T CB 0.022 68.866 68.868 -0.040 0.000 0.863 555 T HN 0.041 nan 8.240 nan 0.000 0.428 556 S N -0.371 115.346 115.700 0.028 0.000 2.498 556 S HA 0.614 5.084 4.470 0.000 0.000 0.317 556 S C 0.999 175.631 174.600 0.053 0.000 1.090 556 S CA -0.398 57.849 58.200 0.078 0.000 1.089 556 S CB 1.194 64.421 63.200 0.045 0.000 0.997 556 S HN 0.335 nan 8.310 nan 0.000 0.470 557 A N 4.186 127.062 122.820 0.093 0.000 2.131 557 A HA 0.097 4.417 4.320 0.000 0.000 0.220 557 A C 1.997 179.511 177.584 -0.116 0.000 1.158 557 A CA 1.746 53.796 52.037 0.021 0.000 0.665 557 A CB -0.617 18.439 19.000 0.094 0.000 0.795 557 A HN 1.097 nan 8.150 nan 0.000 0.460 558 A N -0.846 121.898 122.820 -0.128 0.000 2.132 558 A HA 0.470 4.790 4.320 0.000 0.000 0.213 558 A C 2.279 179.792 177.584 -0.118 0.000 1.154 558 A CA 1.171 53.090 52.037 -0.197 0.000 0.753 558 A CB -0.576 18.319 19.000 -0.176 0.000 0.826 558 A HN 0.850 nan 8.150 nan 0.000 0.469 559 A N 1.140 123.914 122.820 -0.077 0.000 1.902 559 A HA -0.022 4.298 4.320 0.000 0.000 0.217 559 A C 0.217 177.754 177.584 -0.079 0.000 1.181 559 A CA 1.776 53.765 52.037 -0.081 0.000 0.623 559 A CB -1.647 17.304 19.000 -0.082 0.000 0.818 559 A HN 0.415 nan 8.150 nan 0.000 0.443 560 P HA -0.193 nan 4.420 nan 0.000 0.217 560 P C 1.520 178.778 177.300 -0.070 0.000 1.158 560 P CA 2.456 65.518 63.100 -0.063 0.000 0.887 560 P CB -0.240 31.425 31.700 -0.059 0.000 0.792 561 T N -6.516 107.983 114.554 -0.091 0.000 3.060 561 T HA 0.143 4.493 4.350 0.000 0.000 0.249 561 T C 0.461 175.103 174.700 -0.097 0.000 1.079 561 T CA -0.085 61.958 62.100 -0.094 0.000 1.013 561 T CB -0.710 68.090 68.868 -0.114 0.000 0.975 561 T HN 0.012 nan 8.240 nan 0.000 0.518 562 N N 2.772 121.412 118.700 -0.100 0.000 2.776 562 N HA 0.310 5.050 4.740 0.000 0.000 0.245 562 N C -2.133 173.328 175.510 -0.081 0.000 1.121 562 N CA -1.770 51.220 53.050 -0.100 0.000 0.852 562 N CB 2.019 40.433 38.487 -0.122 0.000 1.142 562 N HN 0.083 nan 8.380 nan 0.000 0.514 563 P HA -0.165 nan 4.420 nan 0.000 0.219 563 P C 1.383 178.664 177.300 -0.032 0.000 1.146 563 P CA 1.022 64.097 63.100 -0.043 0.000 0.808 563 P CB 0.298 31.979 31.700 -0.031 0.000 0.779 564 G N 0.192 108.977 108.800 -0.024 0.000 2.450 564 G HA2 -0.162 3.798 3.960 0.000 0.000 0.220 564 G HA3 -0.162 3.798 3.960 0.000 0.000 0.220 564 G C 0.684 175.623 174.900 0.066 0.000 1.130 564 G CA 0.220 45.345 45.100 0.041 0.000 0.760 564 G HN 0.220 nan 8.290 nan 0.000 0.557 565 L N 3.153 124.363 121.223 -0.022 0.000 2.401 565 L HA 0.193 4.533 4.340 0.000 0.000 0.283 565 L C 0.005 176.777 176.870 -0.163 0.000 1.151 565 L CA -0.905 53.875 54.840 -0.099 0.000 0.942 565 L CB 0.299 42.267 42.059 -0.150 0.000 1.283 565 L HN 0.243 nan 8.230 nan 0.000 0.442 566 D N 0.873 121.140 120.400 -0.221 0.000 2.493 566 D HA -0.041 4.599 4.640 0.000 0.000 0.240 566 D C 0.630 176.665 176.300 -0.441 0.000 1.142 566 D CA 0.122 53.929 54.000 -0.322 0.000 0.872 566 D CB 0.985 41.510 40.800 -0.458 0.000 1.173 566 D HN 0.457 nan 8.370 nan 0.000 0.467 567 S N 0.759 116.247 115.700 -0.354 0.000 2.846 567 S HA 0.171 4.641 4.470 0.000 0.000 0.249 567 S C 0.322 174.778 174.600 -0.240 0.000 1.028 567 S CA -0.999 57.027 58.200 -0.291 0.000 1.043 567 S CB -0.731 62.381 63.200 -0.146 0.000 0.990 567 S HN 0.419 nan 8.310 nan 0.000 0.564 568 F N 1.839 121.716 119.950 -0.123 0.000 2.450 568 F HA 0.652 5.179 4.527 0.000 0.000 0.339 568 F C 0.407 176.152 175.800 -0.093 0.000 1.146 568 F CA -0.899 57.032 58.000 -0.115 0.000 1.267 568 F CB -0.822 38.079 39.000 -0.165 0.000 1.178 568 F HN -0.144 nan 8.300 nan 0.000 0.585 569 T N 2.467 117.149 114.554 0.213 0.000 2.919 569 T HA 0.162 4.512 4.350 0.000 0.000 0.302 569 T C -0.205 174.613 174.700 0.198 0.000 1.031 569 T CA -0.348 61.822 62.100 0.118 0.000 1.127 569 T CB 0.258 69.165 68.868 0.064 0.000 0.952 569 T HN 0.536 nan 8.240 nan 0.000 0.540 570 E N 1.502 121.758 120.200 0.094 0.000 2.212 570 E HA 0.621 4.971 4.350 0.000 0.000 0.268 570 E C -0.633 175.986 176.600 0.031 0.000 0.902 570 E CA -0.728 55.745 56.400 0.122 0.000 0.779 570 E CB 2.116 31.876 29.700 0.100 0.000 1.172 570 E HN 0.744 nan 8.360 nan 0.000 0.409 571 S N -0.037 115.690 115.700 0.045 0.000 2.578 571 S HA 0.762 5.233 4.470 0.000 0.000 0.272 571 S C -0.630 173.917 174.600 -0.088 0.000 1.145 571 S CA -0.820 57.353 58.200 -0.045 0.000 0.835 571 S CB 1.737 64.865 63.200 -0.121 0.000 1.104 571 S HN 0.598 nan 8.310 nan 0.000 0.458 572 G N 0.784 109.418 108.800 -0.277 0.000 2.659 572 G HA2 0.625 4.585 3.960 0.000 0.000 0.296 572 G HA3 0.625 4.585 3.960 0.000 0.000 0.296 572 G C -1.575 172.676 174.900 -1.082 0.000 1.369 572 G CA -0.949 43.497 45.100 -1.090 0.000 0.937 572 G HN 0.600 nan 8.290 nan 0.000 0.485 573 K N 0.334 119.705 120.400 -1.716 0.000 2.298 573 K HA 0.428 4.748 4.320 0.000 0.000 0.280 573 K C -1.086 175.445 176.600 -0.116 0.000 1.032 573 K CA -0.496 55.375 56.287 -0.693 0.000 0.958 573 K CB 1.969 34.086 32.500 -0.638 0.000 0.978 573 K HN 0.324 nan 8.250 nan 0.000 0.472 574 L N 2.526 123.738 121.223 -0.017 0.000 2.541 574 L HA 0.290 4.630 4.340 0.000 0.000 0.266 574 L C -0.821 176.144 176.870 0.158 0.000 0.966 574 L CA -0.376 54.520 54.840 0.093 0.000 0.871 574 L CB 1.562 43.423 42.059 -0.330 0.000 1.232 574 L HN 0.590 nan 8.230 nan 0.000 0.408 575 R N 5.218 125.815 120.500 0.161 0.000 2.221 575 R HA 0.624 4.964 4.340 0.000 0.000 0.327 575 R C -1.384 174.586 176.300 -0.550 0.000 1.033 575 R CA -0.499 55.525 56.100 -0.127 0.000 0.887 575 R CB 0.668 30.850 30.300 -0.197 0.000 1.057 575 R HN 0.769 nan 8.270 nan 0.000 0.455 576 L N 6.387 127.416 121.223 -0.324 0.000 2.268 576 L HA 0.333 4.673 4.340 0.000 0.000 0.289 576 L C -0.447 176.293 176.870 -0.216 0.000 1.064 576 L CA -0.561 54.124 54.840 -0.258 0.000 0.824 576 L CB 0.312 42.308 42.059 -0.105 0.000 1.202 576 L HN 0.538 nan 8.230 nan 0.000 0.433 577 F N 1.063 121.000 119.950 -0.021 0.000 2.403 577 F HA 0.136 4.663 4.527 0.000 0.000 0.320 577 F C 1.008 176.809 175.800 0.002 0.000 1.176 577 F CA -0.399 57.580 58.000 -0.034 0.000 1.206 577 F CB 0.350 39.277 39.000 -0.122 0.000 1.235 577 F HN 0.404 nan 8.300 nan 0.000 0.565 578 D N 1.477 122.017 120.400 0.234 0.000 2.295 578 D HA 0.401 5.041 4.640 0.000 0.000 0.248 578 D C -0.359 175.998 176.300 0.096 0.000 1.154 578 D CA 0.168 54.244 54.000 0.126 0.000 0.857 578 D CB 1.318 42.175 40.800 0.096 0.000 1.117 578 D HN 0.313 nan 8.370 nan 0.000 0.468 579 V N -0.803 119.153 119.914 0.070 0.000 3.102 579 V HA 0.550 4.670 4.120 0.000 0.000 0.312 579 V C -0.562 175.548 176.094 0.026 0.000 1.135 579 V CA -1.016 61.309 62.300 0.042 0.000 1.022 579 V CB 2.442 34.293 31.823 0.046 0.000 1.056 579 V HN 0.195 nan 8.190 nan 0.000 0.436 580 I N 1.904 122.482 120.570 0.014 0.000 2.361 580 I HA 0.433 4.603 4.170 0.000 0.000 0.282 580 I C 1.012 177.133 176.117 0.008 0.000 1.075 580 I CA 0.159 61.465 61.300 0.009 0.000 1.205 580 I CB 0.213 38.216 38.000 0.004 0.000 1.406 580 I HN 1.024 nan 8.210 nan 0.000 0.481 581 E N 4.571 124.777 120.200 0.009 0.000 2.021 581 E HA 0.002 4.352 4.350 0.000 0.000 0.189 581 E C 0.231 176.833 176.600 0.004 0.000 0.980 581 E CA 0.930 57.334 56.400 0.007 0.000 0.803 581 E CB 0.455 30.160 29.700 0.008 0.000 0.766 581 E HN 0.477 nan 8.360 nan 0.000 0.449 582 N N -0.183 118.518 118.700 0.003 0.000 2.918 582 N HA 0.163 4.903 4.740 0.000 0.000 0.270 582 N C -0.405 175.106 175.510 0.001 0.000 1.536 582 N CA 0.545 53.596 53.050 0.001 0.000 0.877 582 N CB 1.257 39.744 38.487 -0.000 0.000 1.190 582 N HN 0.331 nan 8.380 nan 0.000 0.492 583 G N 1.003 109.803 108.800 0.001 0.000 2.244 583 G HA2 -0.322 3.638 3.960 0.000 0.000 0.274 583 G HA3 -0.322 3.638 3.960 0.000 0.000 0.274 583 G C 0.150 175.051 174.900 0.001 0.000 1.002 583 G CA 0.830 45.930 45.100 0.001 0.000 0.740 583 G HN 0.559 nan 8.290 nan 0.000 0.516 584 Q N -0.754 119.047 119.800 0.002 0.000 2.423 584 Q HA 0.584 4.924 4.340 0.000 0.000 0.278 584 Q C -0.234 175.770 176.000 0.006 0.000 1.097 584 Q CA -0.850 54.955 55.803 0.003 0.000 0.809 584 Q CB 1.517 30.255 28.738 0.001 0.000 1.391 584 Q HN 0.404 nan 8.270 nan 0.000 0.428 585 E N 1.328 121.533 120.200 0.008 0.000 2.312 585 E HA 0.311 4.661 4.350 0.000 0.000 0.259 585 E C -1.298 175.311 176.600 0.016 0.000 1.122 585 E CA -0.104 56.304 56.400 0.014 0.000 0.922 585 E CB 0.991 30.700 29.700 0.015 0.000 1.109 585 E HN 0.614 nan 8.360 nan 0.000 0.442 586 Q N -0.806 119.009 119.800 0.026 0.000 2.959 586 Q HA 0.250 4.590 4.340 0.000 0.000 0.288 586 Q C -1.711 174.320 176.000 0.051 0.000 0.911 586 Q CA -0.883 54.938 55.803 0.029 0.000 0.800 586 Q CB 0.534 29.285 28.738 0.021 0.000 1.645 586 Q HN 0.307 nan 8.270 nan 0.000 0.454 587 V N 1.454 121.408 119.914 0.066 0.000 2.715 587 V HA 0.093 4.213 4.120 0.000 0.000 0.299 587 V C 0.476 176.630 176.094 0.100 0.000 1.054 587 V CA 0.087 62.451 62.300 0.107 0.000 1.077 587 V CB 1.129 33.056 31.823 0.173 0.000 0.972 587 V HN 0.792 nan 8.190 nan 0.000 0.484 588 E N 2.359 122.618 120.200 0.099 0.000 2.413 588 E HA 0.027 4.377 4.350 0.000 0.000 0.263 588 E C -0.287 176.340 176.600 0.045 0.000 1.015 588 E CA -0.380 56.061 56.400 0.067 0.000 0.916 588 E CB 0.599 30.338 29.700 0.065 0.000 0.947 588 E HN 0.757 nan 8.360 nan 0.000 0.440 589 T N 4.542 119.107 114.554 0.018 0.000 2.870 589 T HA 0.098 4.448 4.350 0.000 0.000 0.300 589 T C -0.100 174.583 174.700 -0.028 0.000 0.989 589 T CA -0.399 61.691 62.100 -0.016 0.000 1.139 589 T CB 0.308 69.166 68.868 -0.016 0.000 0.920 589 T HN 0.334 nan 8.240 nan 0.000 0.537 590 L N 4.255 125.443 121.223 -0.058 0.000 2.312 590 L HA 0.345 4.685 4.340 0.000 0.000 0.287 590 L C -0.222 176.650 176.870 0.003 0.000 1.091 590 L CA -0.367 54.434 54.840 -0.065 0.000 0.846 590 L CB 0.051 42.063 42.059 -0.079 0.000 1.219 590 L HN 0.479 nan 8.230 nan 0.000 0.439 591 D N 4.771 125.189 120.400 0.029 0.000 2.411 591 D HA 0.316 4.956 4.640 0.000 0.000 0.225 591 D C -0.629 175.740 176.300 0.115 0.000 1.156 591 D CA -0.024 54.020 54.000 0.073 0.000 0.874 591 D CB 0.401 41.240 40.800 0.065 0.000 1.034 591 D HN 0.510 nan 8.370 nan 0.000 0.502 592 L N 2.796 124.111 121.223 0.153 0.000 2.343 592 L HA 0.574 4.914 4.340 0.000 0.000 0.275 592 L C 0.013 176.989 176.870 0.175 0.000 1.056 592 L CA -0.496 54.459 54.840 0.192 0.000 0.804 592 L CB 1.894 44.107 42.059 0.257 0.000 1.203 592 L HN 0.300 nan 8.230 nan 0.000 0.440 593 T N 1.628 116.305 114.554 0.205 0.000 3.355 593 T HA 0.351 4.701 4.350 0.000 0.000 0.324 593 T C -0.723 174.117 174.700 0.234 0.000 0.932 593 T CA -0.403 61.803 62.100 0.177 0.000 1.032 593 T CB 1.455 70.403 68.868 0.134 0.000 1.027 593 T HN 0.144 nan 8.240 nan 0.000 0.456 594 V N 3.584 123.593 119.914 0.159 0.000 2.384 594 V HA 0.527 4.647 4.120 0.000 0.000 0.287 594 V C -0.052 176.082 176.094 0.068 0.000 1.020 594 V CA -0.832 61.549 62.300 0.135 0.000 0.850 594 V CB 1.741 33.618 31.823 0.090 0.000 0.987 594 V HN 0.702 nan 8.190 nan 0.000 0.436 595 V N 5.690 125.648 119.914 0.074 0.000 2.347 595 V HA 0.374 4.494 4.120 0.000 0.000 0.280 595 V C -0.042 175.964 176.094 -0.148 0.000 1.021 595 V CA -0.530 61.765 62.300 -0.007 0.000 0.847 595 V CB 1.695 33.591 31.823 0.121 0.000 0.990 595 V HN 0.621 nan 8.190 nan 0.000 0.444 596 V N 3.856 123.511 119.914 -0.431 0.000 2.277 596 V HA 0.300 4.420 4.120 0.000 0.000 0.269 596 V C 0.124 175.993 176.094 -0.376 0.000 1.036 596 V CA -0.273 61.692 62.300 -0.559 0.000 0.821 596 V CB 1.199 32.301 31.823 -1.202 0.000 1.052 596 V HN 0.858 nan 8.190 nan 0.000 0.462 597 D N 4.697 125.000 120.400 -0.163 0.000 2.943 597 D HA 0.240 4.880 4.640 0.000 0.000 0.249 597 D C 0.760 177.019 176.300 -0.068 0.000 1.231 597 D CA 0.296 54.306 54.000 0.018 0.000 0.979 597 D CB -0.236 40.669 40.800 0.175 0.000 1.053 597 D HN 0.599 nan 8.370 nan 0.000 0.504 598 N N 0.466 118.976 118.700 -0.316 0.000 1.382 598 N HA -0.283 4.457 4.740 0.000 0.000 0.172 598 N C 0.745 176.224 175.510 -0.052 0.000 0.860 598 N CA 2.041 54.919 53.050 -0.287 0.000 1.083 598 N CB -1.267 37.201 38.487 -0.032 0.000 1.396 598 N HN 0.208 nan 8.380 nan 0.000 0.475 599 A N 0.051 122.974 122.820 0.170 0.000 2.248 599 A HA 0.294 4.614 4.320 0.000 0.000 0.210 599 A C 0.435 178.083 177.584 0.106 0.000 1.174 599 A CA 1.190 53.377 52.037 0.251 0.000 0.750 599 A CB -0.149 19.167 19.000 0.526 0.000 0.780 599 A HN 0.318 nan 8.150 nan 0.000 0.478 600 V N 0.919 120.749 119.914 -0.139 0.000 2.347 600 V HA 0.384 4.504 4.120 0.000 0.000 0.280 600 V C -0.555 175.341 176.094 -0.331 0.000 1.021 600 V CA -0.461 61.561 62.300 -0.464 0.000 0.847 600 V CB 1.375 32.758 31.823 -0.733 0.000 0.990 600 V HN 0.066 nan 8.190 nan 0.000 0.444 601 V N 4.845 124.577 119.914 -0.304 0.000 2.540 601 V HA 0.514 4.634 4.120 0.000 0.000 0.302 601 V C -0.280 175.716 176.094 -0.163 0.000 1.035 601 V CA -0.632 61.550 62.300 -0.197 0.000 0.873 601 V CB 1.979 33.710 31.823 -0.153 0.000 0.992 601 V HN 0.910 nan 8.190 nan 0.000 0.428 602 E N 3.126 123.276 120.200 -0.083 0.000 2.218 602 E HA 0.509 4.859 4.350 0.000 0.000 0.263 602 E C -1.432 175.133 176.600 -0.057 0.000 0.879 602 E CA -0.573 55.768 56.400 -0.099 0.000 0.762 602 E CB 2.596 32.283 29.700 -0.022 0.000 1.166 602 E HN 0.442 nan 8.360 nan 0.000 0.415 603 V N 4.468 124.323 119.914 -0.098 0.000 2.333 603 V HA 0.253 4.373 4.120 0.000 0.000 0.274 603 V C -0.858 175.262 176.094 0.045 0.000 1.028 603 V CA -0.540 61.796 62.300 0.060 0.000 0.851 603 V CB -0.253 31.663 31.823 0.155 0.000 1.000 603 V HN 0.573 nan 8.190 nan 0.000 0.456 604 Y N 2.677 123.107 120.300 0.217 0.000 2.387 604 Y HA 0.770 5.320 4.550 0.000 0.000 0.330 604 Y C 0.408 176.474 175.900 0.277 0.000 1.133 604 Y CA -0.526 57.721 58.100 0.245 0.000 1.152 604 Y CB 2.046 40.593 38.460 0.146 0.000 1.215 604 Y HN 0.677 nan 8.280 nan 0.000 0.466 605 A N 2.286 125.396 122.820 0.482 0.000 2.488 605 A HA 0.392 4.712 4.320 0.000 0.000 0.295 605 A C -0.377 177.359 177.584 0.254 0.000 1.045 605 A CA -0.922 51.291 52.037 0.292 0.000 0.703 605 A CB 0.573 19.641 19.000 0.113 0.000 1.271 605 A HN 0.986 nan 8.150 nan 0.000 0.400 606 N N 1.237 120.034 118.700 0.162 0.000 2.710 606 N HA -0.252 4.488 4.740 0.000 0.000 0.249 606 N C 0.987 176.589 175.510 0.153 0.000 1.059 606 N CA 1.196 54.325 53.050 0.130 0.000 0.720 606 N CB -0.675 37.872 38.487 0.099 0.000 0.983 606 N HN 2.165 nan 8.380 nan 0.000 0.544 607 G N 0.706 109.605 108.800 0.165 0.000 2.337 607 G HA2 -0.356 3.604 3.960 0.000 0.000 0.290 607 G HA3 -0.356 3.604 3.960 0.000 0.000 0.290 607 G C 0.682 175.676 174.900 0.156 0.000 1.003 607 G CA 1.294 46.476 45.100 0.138 0.000 0.825 607 G HN 0.843 nan 8.290 nan 0.000 0.509 608 R N -2.337 118.305 120.500 0.236 0.000 2.468 608 R HA 0.471 4.811 4.340 0.000 0.000 0.352 608 R C -0.094 176.454 176.300 0.414 0.000 0.858 608 R CA -0.425 55.834 56.100 0.265 0.000 1.108 608 R CB 0.171 30.629 30.300 0.264 0.000 1.741 608 R HN 0.511 nan 8.270 nan 0.000 0.504 609 F N 1.404 121.510 119.950 0.259 0.000 2.588 609 F HA 0.791 5.318 4.527 0.000 0.000 0.314 609 F C -1.671 174.257 175.800 0.214 0.000 1.069 609 F CA -0.612 57.563 58.000 0.291 0.000 0.931 609 F CB 2.477 41.613 39.000 0.227 0.000 1.260 609 F HN 0.119 nan 8.300 nan 0.000 0.465 610 A N 5.119 127.633 122.820 -0.510 0.000 2.480 610 A HA 0.657 4.978 4.320 0.000 0.000 0.289 610 A C -2.675 174.584 177.584 -0.542 0.000 1.044 610 A CA -0.433 51.339 52.037 -0.441 0.000 0.761 610 A CB 1.292 20.133 19.000 -0.264 0.000 1.289 610 A HN 0.892 nan 8.150 nan 0.000 0.401 611 L N 1.994 123.008 121.223 -0.348 0.000 2.441 611 L HA 0.819 5.159 4.340 0.000 0.000 0.270 611 L C -0.738 176.065 176.870 -0.112 0.000 0.973 611 L CA 0.171 54.924 54.840 -0.145 0.000 0.842 611 L CB 1.963 44.045 42.059 0.039 0.000 1.239 611 L HN 0.559 nan 8.230 nan 0.000 0.406 612 S N 2.501 118.140 115.700 -0.102 0.000 2.536 612 S HA 0.930 5.400 4.470 0.000 0.000 0.298 612 S C -0.611 173.900 174.600 -0.149 0.000 1.083 612 S CA -0.516 57.594 58.200 -0.150 0.000 0.995 612 S CB 2.013 65.105 63.200 -0.180 0.000 1.058 612 S HN 0.820 nan 8.310 nan 0.000 0.488 613 T N 0.367 114.776 114.554 -0.240 0.000 2.700 613 T HA 0.522 4.872 4.350 0.000 0.000 0.307 613 T C -2.174 172.305 174.700 -0.369 0.000 1.580 613 T CA -0.636 61.317 62.100 -0.245 0.000 0.992 613 T CB 0.290 69.094 68.868 -0.106 0.000 1.577 613 T HN 0.545 nan 8.240 nan 0.000 0.496 614 W N 1.378 122.549 121.300 -0.216 0.000 2.417 614 W HA 0.704 5.364 4.660 0.000 0.000 0.317 614 W C 0.188 176.545 176.519 -0.271 0.000 1.121 614 W CA -0.636 56.554 57.345 -0.258 0.000 1.208 614 W CB 1.451 30.710 29.460 -0.335 0.000 1.253 614 W HN 0.780 nan 8.180 nan 0.000 0.533 615 A N 3.617 126.431 122.820 -0.011 0.000 3.159 615 A HA 0.395 4.715 4.320 0.000 0.000 0.330 615 A C -0.058 177.463 177.584 -0.105 0.000 1.032 615 A CA -0.831 51.161 52.037 -0.073 0.000 0.841 615 A CB -0.035 18.932 19.000 -0.056 0.000 1.093 615 A HN 0.725 nan 8.150 nan 0.000 0.478 616 R N 1.817 122.137 120.500 -0.300 0.000 4.559 616 R HA 0.094 4.434 4.340 0.000 0.000 0.177 616 R C 0.515 176.808 176.300 -0.012 0.000 1.875 616 R CA 0.355 56.068 56.100 -0.645 0.000 1.509 616 R CB -0.410 28.968 30.300 -1.537 0.000 1.395 616 R HN 0.730 nan 8.270 nan 0.000 0.830 617 S N -0.197 115.612 115.700 0.181 0.000 2.584 617 S HA 0.008 4.478 4.470 0.000 0.000 0.270 617 S C 0.598 175.494 174.600 0.494 0.000 1.346 617 S CA -0.843 57.527 58.200 0.282 0.000 1.018 617 S CB 1.195 64.515 63.200 0.201 0.000 0.899 617 S HN 0.680 nan 8.310 nan 0.000 0.542 618 W N 1.502 122.926 121.300 0.208 0.000 2.780 618 W HA 0.208 4.868 4.660 0.000 0.000 0.272 618 W C -0.602 175.906 176.519 -0.020 0.000 1.116 618 W CA -0.201 57.189 57.345 0.074 0.000 1.600 618 W CB -0.218 29.169 29.460 -0.122 0.000 1.086 618 W HN 0.704 nan 8.180 nan 0.000 0.584 619 Y N 3.247 123.692 120.300 0.242 0.000 2.397 619 Y HA 0.001 4.551 4.550 0.000 0.000 0.335 619 Y C 1.749 177.647 175.900 -0.003 0.000 1.213 619 Y CA 0.549 58.709 58.100 0.099 0.000 1.391 619 Y CB 0.435 39.014 38.460 0.198 0.000 1.293 619 Y HN -0.064 nan 8.280 nan 0.000 0.557 620 D N 0.373 120.852 120.400 0.132 0.000 2.312 620 D HA -0.147 4.493 4.640 0.000 0.000 0.211 620 D C 0.970 177.325 176.300 0.092 0.000 0.964 620 D CA 0.825 54.864 54.000 0.065 0.000 0.877 620 D CB -0.032 40.787 40.800 0.032 0.000 0.924 620 D HN 0.656 nan 8.370 nan 0.000 0.515 621 N N 0.796 119.572 118.700 0.127 0.000 2.331 621 N HA -0.066 4.674 4.740 0.000 0.000 0.180 621 N C 0.393 175.938 175.510 0.058 0.000 1.019 621 N CA 0.347 53.437 53.050 0.066 0.000 0.881 621 N CB 0.040 38.536 38.487 0.015 0.000 0.972 621 N HN -0.091 nan 8.380 nan 0.000 0.435 622 S N 0.962 116.728 115.700 0.109 0.000 3.944 622 S HA 0.039 4.509 4.470 0.000 0.000 0.215 622 S C 1.220 175.856 174.600 0.060 0.000 1.220 622 S CA 0.108 58.365 58.200 0.095 0.000 0.950 622 S CB -0.392 62.908 63.200 0.166 0.000 1.615 622 S HN 0.443 nan 8.310 nan 0.000 0.466 623 T N -2.243 112.320 114.554 0.014 0.000 3.144 623 T HA 0.206 4.556 4.350 0.000 0.000 0.290 623 T C 0.282 174.909 174.700 -0.122 0.000 0.966 623 T CA -0.421 61.661 62.100 -0.030 0.000 0.907 623 T CB 0.124 68.981 68.868 -0.017 0.000 1.152 623 T HN 0.287 nan 8.240 nan 0.000 0.532 624 Q N 1.057 120.801 119.800 -0.094 0.000 2.392 624 Q HA 0.437 4.777 4.340 0.000 0.000 0.262 624 Q C -0.673 175.189 176.000 -0.231 0.000 1.003 624 Q CA 0.316 56.039 55.803 -0.132 0.000 0.888 624 Q CB 0.906 29.605 28.738 -0.064 0.000 1.260 624 Q HN 0.567 nan 8.270 nan 0.000 0.435 625 I N 3.226 123.568 120.570 -0.380 0.000 2.498 625 I HA 0.440 4.610 4.170 0.000 0.000 0.290 625 I C -0.549 175.211 176.117 -0.595 0.000 1.032 625 I CA -0.637 60.267 61.300 -0.659 0.000 1.073 625 I CB 1.900 39.130 38.000 -1.284 0.000 1.251 625 I HN 0.448 nan 8.210 nan 0.000 0.426 626 R N 4.367 124.686 120.500 -0.301 0.000 2.795 626 R HA 0.588 4.928 4.340 0.000 0.000 0.275 626 R C -1.395 175.034 176.300 0.214 0.000 0.981 626 R CA -0.776 55.359 56.100 0.059 0.000 0.917 626 R CB 1.987 32.368 30.300 0.135 0.000 1.202 626 R HN 0.249 nan 8.270 nan 0.000 0.469 627 F N 1.517 121.647 119.950 0.300 0.000 2.418 627 F HA 0.342 4.869 4.527 0.000 0.000 0.341 627 F C 0.063 175.960 175.800 0.162 0.000 1.120 627 F CA 0.159 58.182 58.000 0.039 0.000 1.232 627 F CB 0.660 39.534 39.000 -0.210 0.000 1.175 627 F HN 0.318 nan 8.300 nan 0.000 0.569 628 F N 2.959 123.011 119.950 0.171 0.000 2.556 628 F HA 0.540 5.067 4.527 0.000 0.000 0.314 628 F C -1.468 174.521 175.800 0.315 0.000 1.106 628 F CA -0.770 57.355 58.000 0.208 0.000 0.911 628 F CB 1.186 40.280 39.000 0.156 0.000 1.190 628 F HN 0.503 nan 8.300 nan 0.000 0.448 629 H N 4.390 122.990 119.070 -0.783 0.000 3.026 629 H HA 0.288 4.844 4.556 0.000 0.000 0.352 629 H C -0.750 174.106 175.328 -0.786 0.000 1.090 629 H CA -0.909 54.703 56.048 -0.727 0.000 1.268 629 H CB 1.172 30.821 29.762 -0.188 0.000 1.816 629 H HN 0.548 nan 8.280 nan 0.000 0.518 630 N N 3.193 121.194 118.700 -1.166 0.000 2.322 630 N HA 0.154 4.894 4.740 0.000 0.000 0.216 630 N C 1.275 176.433 175.510 -0.587 0.000 1.144 630 N CA 0.538 53.183 53.050 -0.675 0.000 0.830 630 N CB 0.111 38.349 38.487 -0.415 0.000 1.034 630 N HN 0.979 nan 8.380 nan 0.000 0.484 631 G N 0.386 108.668 108.800 -0.863 0.000 2.562 631 G HA2 -0.339 3.621 3.960 0.000 0.000 0.241 631 G HA3 -0.339 3.621 3.960 0.000 0.000 0.241 631 G C -0.090 174.651 174.900 -0.265 0.000 1.120 631 G CA 0.426 45.292 45.100 -0.391 0.000 0.673 631 G HN 0.453 nan 8.290 nan 0.000 0.519 632 E N 2.471 122.490 120.200 -0.301 0.000 2.341 632 E HA 0.452 4.802 4.350 0.000 0.000 0.256 632 E C 1.124 177.711 176.600 -0.022 0.000 1.125 632 E CA 1.227 57.550 56.400 -0.128 0.000 0.939 632 E CB -0.052 29.578 29.700 -0.118 0.000 0.991 632 E HN 1.742 nan 8.360 nan 0.000 0.458 633 G N 3.225 112.062 108.800 0.062 0.000 2.587 633 G HA2 -0.223 3.737 3.960 0.000 0.000 0.212 633 G HA3 -0.223 3.737 3.960 0.000 0.000 0.212 633 G C -0.631 174.411 174.900 0.237 0.000 1.327 633 G CA -0.118 45.060 45.100 0.130 0.000 0.898 633 G HN 0.567 nan 8.290 nan 0.000 0.551 634 E N -1.901 118.406 120.200 0.178 0.000 2.343 634 E HA 0.617 4.967 4.350 0.000 0.000 0.278 634 E C -1.565 174.997 176.600 -0.063 0.000 0.910 634 E CA -0.693 55.705 56.400 -0.003 0.000 0.757 634 E CB 2.433 32.120 29.700 -0.022 0.000 1.218 634 E HN 1.454 nan 8.360 nan 0.000 0.435 635 V N 3.142 122.836 119.914 -0.367 0.000 2.925 635 V HA 0.468 4.588 4.120 0.000 0.000 0.311 635 V C -1.742 174.012 176.094 -0.567 0.000 1.104 635 V CA -0.352 61.664 62.300 -0.474 0.000 0.954 635 V CB 2.150 33.617 31.823 -0.593 0.000 1.022 635 V HN 0.812 nan 8.190 nan 0.000 0.427 636 Q N 5.010 124.445 119.800 -0.608 0.000 2.339 636 Q HA 0.495 4.835 4.340 0.000 0.000 0.268 636 Q C -1.680 174.049 176.000 -0.451 0.000 1.027 636 Q CA -0.290 55.260 55.803 -0.421 0.000 0.759 636 Q CB 2.218 30.807 28.738 -0.250 0.000 1.244 636 Q HN 0.691 nan 8.270 nan 0.000 0.464 637 F N 1.905 121.790 119.950 -0.107 0.000 2.410 637 F HA 0.458 4.985 4.527 0.000 0.000 0.348 637 F C 0.611 176.428 175.800 0.028 0.000 1.106 637 F CA -0.232 57.779 58.000 0.018 0.000 1.163 637 F CB 0.872 39.987 39.000 0.192 0.000 1.129 637 F HN 0.220 nan 8.300 nan 0.000 0.516 638 R N 1.109 121.748 120.500 0.232 0.000 2.698 638 R HA 0.310 4.650 4.340 0.000 0.000 0.275 638 R C -0.753 175.638 176.300 0.150 0.000 1.001 638 R CA -1.338 54.845 56.100 0.139 0.000 0.896 638 R CB 1.717 32.049 30.300 0.054 0.000 1.218 638 R HN 0.762 nan 8.270 nan 0.000 0.462 639 N N -0.293 118.471 118.700 0.106 0.000 2.705 639 N HA -0.172 4.568 4.740 0.000 0.000 0.255 639 N C -0.927 174.648 175.510 0.109 0.000 1.008 639 N CA 0.079 53.181 53.050 0.087 0.000 0.742 639 N CB -0.872 37.656 38.487 0.069 0.000 0.906 639 N HN 0.115 nan 8.380 nan 0.000 0.541 640 V N 0.315 120.301 119.914 0.119 0.000 2.461 640 V HA 0.577 4.697 4.120 0.000 0.000 0.275 640 V C 0.509 176.606 176.094 0.006 0.000 1.047 640 V CA -0.060 62.295 62.300 0.091 0.000 0.955 640 V CB 1.571 33.447 31.823 0.089 0.000 0.988 640 V HN 0.384 nan 8.190 nan 0.000 0.471 641 S N 3.866 119.579 115.700 0.021 0.000 2.570 641 S HA 0.827 5.297 4.470 0.000 0.000 0.270 641 S C -1.453 173.182 174.600 0.058 0.000 1.149 641 S CA -0.475 57.741 58.200 0.026 0.000 0.837 641 S CB 2.136 65.356 63.200 0.032 0.000 1.124 641 S HN 0.418 nan 8.310 nan 0.000 0.465 642 V N 2.437 122.392 119.914 0.069 0.000 2.623 642 V HA 0.656 4.776 4.120 0.000 0.000 0.304 642 V C -0.382 175.766 176.094 0.090 0.000 1.054 642 V CA -0.690 61.660 62.300 0.084 0.000 0.882 642 V CB 1.649 33.494 31.823 0.037 0.000 1.002 642 V HN 0.810 nan 8.190 nan 0.000 0.424 643 S N 3.866 119.644 115.700 0.130 0.000 2.474 643 S HA 0.519 4.989 4.470 0.000 0.000 0.321 643 S C -0.592 174.118 174.600 0.184 0.000 1.080 643 S CA -0.498 57.777 58.200 0.125 0.000 1.106 643 S CB 0.925 64.189 63.200 0.107 0.000 0.984 643 S HN 0.873 nan 8.310 nan 0.000 0.464 644 E N 3.201 123.497 120.200 0.161 0.000 2.214 644 E HA 0.605 4.955 4.350 0.000 0.000 0.274 644 E C 0.902 177.611 176.600 0.182 0.000 0.977 644 E CA 0.043 56.569 56.400 0.210 0.000 0.827 644 E CB 1.055 30.852 29.700 0.161 0.000 1.130 644 E HN 0.922 nan 8.360 nan 0.000 0.394 645 G N 3.548 112.481 108.800 0.222 0.000 2.491 645 G HA2 -0.250 3.710 3.960 0.000 0.000 0.203 645 G HA3 -0.250 3.710 3.960 0.000 0.000 0.203 645 G C 0.577 175.556 174.900 0.130 0.000 1.052 645 G CA -0.149 45.044 45.100 0.155 0.000 0.675 645 G HN 0.686 nan 8.290 nan 0.000 0.504 646 L N -1.920 119.405 121.223 0.170 0.000 6.780 646 L HA -0.202 4.138 4.340 0.000 0.000 0.053 646 L C 0.664 177.669 176.870 0.224 0.000 1.778 646 L CA 2.309 57.258 54.840 0.181 0.000 1.657 646 L CB -1.350 40.783 42.059 0.124 0.000 2.738 646 L HN 1.731 nan 8.230 nan 0.000 1.065 647 Y N -1.961 118.340 120.300 0.001 0.000 2.774 647 Y HA 0.511 5.061 4.550 0.000 0.000 0.346 647 Y C -0.737 175.153 175.900 -0.016 0.000 1.222 647 Y CA -1.214 56.874 58.100 -0.021 0.000 1.088 647 Y CB 0.904 39.354 38.460 -0.017 0.000 1.354 647 Y HN 0.431 nan 8.280 nan 0.000 0.455 648 N N 1.185 119.910 118.700 0.041 0.000 2.406 648 N HA 0.376 5.116 4.740 0.000 0.000 0.251 648 N C 0.400 175.933 175.510 0.038 0.000 1.069 648 N CA 0.606 53.644 53.050 -0.020 0.000 0.947 648 N CB 1.769 40.293 38.487 0.061 0.000 1.111 648 N HN 0.954 nan 8.380 nan 0.000 0.497 649 A N 3.513 126.256 122.820 -0.128 0.000 2.119 649 A HA -0.022 4.298 4.320 0.000 0.000 0.216 649 A C 0.039 177.491 177.584 -0.219 0.000 1.152 649 A CA 0.445 52.434 52.037 -0.081 0.000 0.708 649 A CB -0.175 18.742 19.000 -0.138 0.000 0.805 649 A HN 0.720 nan 8.150 nan 0.000 0.460 650 W N -0.714 120.641 121.300 0.092 0.000 2.148 650 W HA 0.429 5.089 4.660 0.000 0.000 0.288 650 W C -2.254 174.299 176.519 0.057 0.000 0.920 650 W CA -2.015 55.383 57.345 0.088 0.000 1.904 650 W CB 0.382 29.875 29.460 0.054 0.000 2.083 650 W HN 0.127 nan 8.180 nan 0.000 0.398 651 P HA -0.241 nan 4.420 nan 0.000 0.215 651 P C 1.311 178.684 177.300 0.121 0.000 1.157 651 P CA 1.816 64.987 63.100 0.118 0.000 0.874 651 P CB 0.484 32.223 31.700 0.065 0.000 0.790 652 E N -1.088 119.194 120.200 0.137 0.000 2.463 652 E HA -0.067 4.283 4.350 0.000 0.000 0.201 652 E C 0.848 177.524 176.600 0.127 0.000 1.045 652 E CA 0.578 57.050 56.400 0.120 0.000 0.872 652 E CB -0.323 29.450 29.700 0.121 0.000 0.797 652 E HN 0.267 nan 8.360 nan 0.000 0.538 653 R N 0.000 120.598 120.500 0.163 0.000 2.786 653 R HA 0.000 4.340 4.340 0.000 0.000 0.208 653 R CA 0.000 56.166 56.100 0.110 0.000 0.921 653 R CB 0.000 30.362 30.300 0.104 0.000 0.687 653 R HN 0.000 nan 8.270 nan 0.000 0.535