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 2ztg_1_A DATA FIRST_RESID 2 DATA SEQUENCE TLDEEYLDIT FLTENGFVRK RCPKCGKHFW TADPEREICG DPPCESYSFI DATA SEQUENCE GNPVFKKPFE LDEXREYYLN FFERRGHGRI ERYPVVARWR TDIYLTIASI DATA SEQUENCE ADFQPFVTSG VAPPPANPLT ISQPCIRLDD LDSVGRTGRH LTLFEXXAHH DATA SEQUENCE AFNYPGKEIY WKNETVAYCT ELLNELGVKK EDIVYKEEPW AGGGNAGPCL DATA SEQUENCE EAIVGGLEVA TLVFXNLEEH PEGDIEIKGA RYRKXDNYIV DTGYGLERFV DATA SEQUENCE WASKGTPTVY DAIFPEVVDT IIDNSNVSFN REDERVRRIV AESSKLAGIX DATA SEQUENCE GELRGERLNQ LRKSVADTVG VSVEELEGIV VPLEKVYSLA DHTRCILFXL DATA SEQUENCE GDGLVPSNAG AGYLARLXIR RSLRLAEELE LGLDLYDLVE XHKKILGFEF DATA SEQUENCE DVPLSTVQEI LELEKERYRT TVSKGTRLVE RLVERKKKLE KDDLIELYDS DATA SEQUENCE HGIPVELAVG IAAEKGAEVE XPKDIYAELA KRHSKAEKVQ EKKITLQNEY DATA SEQUENCE PATEKLYYDD PTLLEFEAEV IGVEGDFVIL NRSAFYPESG GQDNDVGYLI DATA SEQUENCE ANGGKFEVVD VLEADGVVLH VVKGAKPEVG TKVKGVIDSD VRWRHXRHHS DATA SEQUENCE ATHVLLYSLQ KVLGNHVWQA GARKEFSKAR LDVTHFRRPS EEEIKEIEXL DATA SEQUENCE ANREILANKP IKWEWXDRIE AERKFGFRLY QGGVPPGRKI RVVQVGDDVQ DATA SEQUENCE ACGGTHCRST GEIGXLKILK VESIQDGVIR FEFAAGEA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 T HA 0.000 nan 4.350 nan 0.000 0.228 2 T C 0.000 174.721 174.700 0.035 0.000 1.109 2 T CA 0.000 62.123 62.100 0.038 0.000 1.349 2 T CB 0.000 68.897 68.868 0.048 0.000 0.612 3 L N 0.485 121.736 121.223 0.047 0.000 2.042 3 L HA -0.049 4.291 4.340 -0.001 0.000 0.210 3 L C 2.499 179.449 176.870 0.134 0.000 1.076 3 L CA 2.292 57.159 54.840 0.046 0.000 0.749 3 L CB -0.684 41.437 42.059 0.103 0.000 0.893 3 L HN 0.898 nan 8.230 nan 0.000 0.432 4 D N 0.305 120.813 120.400 0.180 0.000 2.078 4 D HA -0.258 4.381 4.640 -0.001 0.000 0.193 4 D C 2.021 178.483 176.300 0.271 0.000 0.990 4 D CA 1.569 55.720 54.000 0.252 0.000 0.827 4 D CB 0.065 40.932 40.800 0.112 0.000 0.975 4 D HN 0.509 nan 8.370 nan 0.000 0.451 5 E N -0.209 120.078 120.200 0.146 0.000 2.478 5 E HA -0.146 4.204 4.350 -0.001 0.000 0.198 5 E C 1.676 178.317 176.600 0.069 0.000 1.046 5 E CA 0.543 57.014 56.400 0.119 0.000 0.870 5 E CB -0.074 29.670 29.700 0.073 0.000 0.818 5 E HN 0.304 nan 8.360 nan 0.000 0.527 6 E N 0.237 120.437 120.200 0.001 0.000 2.274 6 E HA -0.138 4.212 4.350 -0.001 0.000 0.194 6 E C 0.802 177.250 176.600 -0.253 0.000 0.996 6 E CA 0.973 57.275 56.400 -0.163 0.000 0.840 6 E CB -0.075 29.468 29.700 -0.263 0.000 0.772 6 E HN 0.524 nan 8.360 nan 0.000 0.491 7 Y N -0.675 119.659 120.300 0.056 0.000 2.448 7 Y HA 0.117 4.666 4.550 -0.001 0.000 0.289 7 Y C 1.446 177.406 175.900 0.101 0.000 1.114 7 Y CA 0.343 58.486 58.100 0.071 0.000 1.235 7 Y CB 0.228 38.872 38.460 0.306 0.000 1.045 7 Y HN -0.012 nan 8.280 nan 0.000 0.554 8 L N 0.013 121.413 121.223 0.296 0.000 2.610 8 L HA -0.066 4.274 4.340 -0.001 0.000 0.232 8 L C 1.232 178.158 176.870 0.094 0.000 1.149 8 L CA 0.596 55.588 54.840 0.253 0.000 0.872 8 L CB -0.133 42.054 42.059 0.212 0.000 0.992 8 L HN 0.152 nan 8.230 nan 0.000 0.447 9 D N 0.550 120.946 120.400 -0.006 0.000 2.327 9 D HA 0.056 4.696 4.640 -0.001 0.000 0.205 9 D C 0.978 177.198 176.300 -0.134 0.000 0.989 9 D CA 0.266 54.221 54.000 -0.075 0.000 0.873 9 D CB 0.313 41.033 40.800 -0.133 0.000 0.955 9 D HN 0.190 nan 8.370 nan 0.000 0.515 10 I N 1.730 122.176 120.570 -0.206 0.000 2.389 10 I HA 0.036 4.206 4.170 -0.001 0.000 0.295 10 I C 1.567 177.587 176.117 -0.162 0.000 1.117 10 I CA 0.042 61.184 61.300 -0.264 0.000 1.317 10 I CB 0.982 38.730 38.000 -0.420 0.000 1.431 10 I HN -0.060 nan 8.210 nan 0.000 0.521 11 T N 2.042 116.548 114.554 -0.081 0.000 3.055 11 T HA -0.131 4.218 4.350 -0.001 0.000 0.265 11 T C 1.492 176.173 174.700 -0.033 0.000 1.111 11 T CA 0.393 62.473 62.100 -0.033 0.000 1.118 11 T CB -0.222 68.640 68.868 -0.010 0.000 0.909 11 T HN 0.556 nan 8.240 nan 0.000 0.501 12 F N 1.739 121.594 119.950 -0.158 0.000 2.186 12 F HA 0.096 4.623 4.527 -0.001 0.000 0.299 12 F C 1.767 177.497 175.800 -0.117 0.000 1.090 12 F CA 0.705 58.621 58.000 -0.141 0.000 1.307 12 F CB -0.285 38.595 39.000 -0.200 0.000 1.019 12 F HN 0.034 nan 8.300 nan 0.000 0.489 13 L N 0.521 121.653 121.223 -0.152 0.000 1.976 13 L HA -0.187 4.153 4.340 -0.001 0.000 0.209 13 L C 2.848 179.795 176.870 0.128 0.000 1.071 13 L CA 2.485 57.241 54.840 -0.140 0.000 0.746 13 L CB -2.170 39.566 42.059 -0.539 0.000 0.890 13 L HN 0.366 nan 8.230 nan 0.000 0.432 14 T N -3.268 111.352 114.554 0.110 0.000 2.788 14 T HA -0.178 4.171 4.350 -0.001 0.000 0.268 14 T C 1.565 176.296 174.700 0.051 0.000 1.044 14 T CA 0.964 63.166 62.100 0.170 0.000 1.139 14 T CB -0.330 68.640 68.868 0.169 0.000 0.867 14 T HN 0.300 nan 8.240 nan 0.000 0.454 15 E N 1.085 121.259 120.200 -0.043 0.000 2.511 15 E HA 0.061 4.410 4.350 -0.001 0.000 0.196 15 E C 0.881 177.393 176.600 -0.148 0.000 1.066 15 E CA 0.068 56.415 56.400 -0.089 0.000 0.871 15 E CB 0.007 29.643 29.700 -0.106 0.000 0.863 15 E HN 0.558 nan 8.360 nan 0.000 0.520 16 N N -0.792 117.820 118.700 -0.145 0.000 2.197 16 N HA 0.059 4.798 4.740 -0.001 0.000 0.228 16 N C 0.658 176.156 175.510 -0.019 0.000 1.212 16 N CA 0.566 53.540 53.050 -0.128 0.000 0.883 16 N CB 1.878 40.154 38.487 -0.350 0.000 1.107 16 N HN 0.196 nan 8.380 nan 0.000 0.519 17 G N 0.847 109.640 108.800 -0.011 0.000 2.176 17 G HA2 -0.242 3.718 3.960 -0.001 0.000 0.232 17 G HA3 -0.242 3.718 3.960 -0.001 0.000 0.232 17 G C -0.156 174.665 174.900 -0.132 0.000 0.986 17 G CA -0.435 44.606 45.100 -0.099 0.000 0.643 17 G HN 0.204 nan 8.290 nan 0.000 0.522 18 F N 0.474 120.488 119.950 0.107 0.000 2.427 18 F HA 0.608 5.135 4.527 -0.001 0.000 0.352 18 F C 0.711 176.686 175.800 0.292 0.000 1.100 18 F CA -0.339 57.806 58.000 0.241 0.000 1.191 18 F CB 1.783 40.993 39.000 0.350 0.000 1.128 18 F HN 0.083 nan 8.300 nan 0.000 0.533 19 V N 5.281 125.354 119.914 0.264 0.000 2.680 19 V HA 0.523 4.642 4.120 -0.001 0.000 0.309 19 V C -0.501 175.395 176.094 -0.331 0.000 1.052 19 V CA -1.008 61.297 62.300 0.008 0.000 0.908 19 V CB 1.764 33.536 31.823 -0.084 0.000 1.001 19 V HN 0.802 nan 8.190 nan 0.000 0.431 20 R N 4.961 124.985 120.500 -0.793 0.000 2.298 20 R HA 0.463 4.802 4.340 -0.001 0.000 0.310 20 R C -0.598 175.226 176.300 -0.794 0.000 1.068 20 R CA -0.352 55.013 56.100 -1.225 0.000 0.957 20 R CB 0.501 29.890 30.300 -1.517 0.000 1.003 20 R HN 0.695 nan 8.270 nan 0.000 0.454 21 K N 2.559 122.408 120.400 -0.918 0.000 2.197 21 K HA 0.493 4.813 4.320 -0.001 0.000 0.247 21 K C -0.792 175.477 176.600 -0.552 0.000 1.077 21 K CA -0.971 54.884 56.287 -0.721 0.000 0.882 21 K CB 1.178 33.210 32.500 -0.780 0.000 1.396 21 K HN 0.376 nan 8.250 nan 0.000 0.482 22 R N 0.849 121.219 120.500 -0.216 0.000 3.146 22 R HA 0.128 4.468 4.340 -0.001 0.000 0.235 22 R C 0.249 176.593 176.300 0.073 0.000 1.624 22 R CA -0.082 55.997 56.100 -0.036 0.000 0.995 22 R CB -0.688 29.420 30.300 -0.320 0.000 1.490 22 R HN 0.733 nan 8.270 nan 0.000 0.434 23 C N 3.020 122.464 119.300 0.239 0.000 2.359 23 C HA -0.131 4.328 4.460 -0.001 0.000 0.277 23 C C -0.219 174.796 174.990 0.042 0.000 1.192 23 C CA 1.082 60.177 59.018 0.127 0.000 1.759 23 C CB -1.066 26.724 27.740 0.083 0.000 2.038 23 C HN 0.626 nan 8.230 nan 0.000 0.448 24 P HA -0.081 nan 4.420 nan 0.000 0.205 24 P C 0.087 177.388 177.300 0.002 0.000 1.181 24 P CA 1.107 64.225 63.100 0.030 0.000 0.933 24 P CB -0.118 31.592 31.700 0.017 0.000 0.775 25 K N -1.921 118.462 120.400 -0.030 0.000 3.974 25 K HA -0.202 4.118 4.320 -0.001 0.000 0.280 25 K C 0.335 176.890 176.600 -0.075 0.000 0.949 25 K CA 0.913 57.154 56.287 -0.076 0.000 0.817 25 K CB -1.887 30.526 32.500 -0.144 0.000 1.535 25 K HN 0.601 nan 8.250 nan 0.000 0.444 26 C N -1.781 117.500 119.300 -0.032 0.000 5.916 26 C HA -0.159 4.301 4.460 -0.001 0.000 0.210 26 C C 1.605 176.609 174.990 0.023 0.000 1.198 26 C CA 1.386 60.398 59.018 -0.010 0.000 1.075 26 C CB -1.389 26.336 27.740 -0.024 0.000 2.224 26 C HN 1.723 nan 8.230 nan 0.000 0.657 27 G N 0.662 109.482 108.800 0.033 0.000 2.189 27 G HA2 -0.264 3.695 3.960 -0.001 0.000 0.267 27 G HA3 -0.264 3.695 3.960 -0.001 0.000 0.267 27 G C 0.094 175.061 174.900 0.112 0.000 0.975 27 G CA 1.291 46.428 45.100 0.061 0.000 0.644 27 G HN 0.727 nan 8.290 nan 0.000 0.537 28 K N 0.019 120.498 120.400 0.132 0.000 2.419 28 K HA 0.519 4.839 4.320 -0.001 0.000 0.246 28 K C 0.172 176.968 176.600 0.327 0.000 1.037 28 K CA -0.686 55.722 56.287 0.201 0.000 0.982 28 K CB 0.507 33.092 32.500 0.141 0.000 1.283 28 K HN 0.475 nan 8.250 nan 0.000 0.500 29 H N -0.284 118.830 119.070 0.073 0.000 2.472 29 H HA 0.400 4.955 4.556 -0.001 0.000 0.335 29 H C -0.577 174.842 175.328 0.151 0.000 1.136 29 H CA -0.680 55.388 56.048 0.033 0.000 1.264 29 H CB 1.052 30.752 29.762 -0.103 0.000 1.486 29 H HN 0.424 nan 8.280 nan 0.000 0.517 30 F N -0.679 119.265 119.950 -0.010 0.000 2.662 30 F HA 0.458 4.985 4.527 -0.001 0.000 0.312 30 F C -2.353 173.458 175.800 0.018 0.000 1.113 30 F CA -1.586 56.470 58.000 0.094 0.000 0.951 30 F CB 0.937 40.001 39.000 0.105 0.000 1.344 30 F HN 0.343 nan 8.300 nan 0.000 0.462 31 W N 1.001 122.399 121.300 0.163 0.000 2.532 31 W HA 0.669 5.329 4.660 -0.001 0.000 0.321 31 W C -0.419 176.342 176.519 0.403 0.000 1.037 31 W CA -0.836 56.601 57.345 0.153 0.000 1.220 31 W CB 2.019 31.639 29.460 0.267 0.000 1.361 31 W HN 0.774 nan 8.180 nan 0.000 0.468 32 T N 0.961 115.756 114.554 0.401 0.000 2.900 32 T HA 0.649 4.999 4.350 -0.001 0.000 0.295 32 T C 0.143 174.885 174.700 0.069 0.000 1.044 32 T CA -0.284 62.029 62.100 0.355 0.000 0.995 32 T CB 1.524 70.563 68.868 0.286 0.000 1.072 32 T HN 0.490 nan 8.240 nan 0.000 0.473 33 A N 2.558 125.228 122.820 -0.251 0.000 2.390 33 A HA 0.346 4.665 4.320 -0.001 0.000 0.232 33 A C 0.426 177.869 177.584 -0.235 0.000 1.233 33 A CA -0.113 51.606 52.037 -0.530 0.000 0.907 33 A CB -0.015 18.259 19.000 -1.210 0.000 0.967 33 A HN 0.705 nan 8.150 nan 0.000 0.512 34 D N 1.031 121.371 120.400 -0.100 0.000 2.347 34 D HA 0.259 4.898 4.640 -0.001 0.000 0.235 34 D C -1.254 175.026 176.300 -0.034 0.000 1.149 34 D CA -1.952 52.019 54.000 -0.048 0.000 0.850 34 D CB 1.466 42.266 40.800 0.000 0.000 1.061 34 D HN 0.112 nan 8.370 nan 0.000 0.487 35 P HA -0.106 nan 4.420 nan 0.000 0.225 35 P C 1.050 178.337 177.300 -0.022 0.000 1.156 35 P CA 0.339 63.417 63.100 -0.036 0.000 0.787 35 P CB 0.713 32.388 31.700 -0.040 0.000 0.802 36 E N 1.601 121.792 120.200 -0.015 0.000 2.007 36 E HA -0.125 4.225 4.350 -0.001 0.000 0.194 36 E C 1.144 177.744 176.600 -0.000 0.000 0.999 36 E CA 1.220 57.615 56.400 -0.009 0.000 0.811 36 E CB 0.111 29.806 29.700 -0.008 0.000 0.762 36 E HN 0.419 nan 8.360 nan 0.000 0.450 37 R N -0.754 119.753 120.500 0.013 0.000 2.739 37 R HA 0.577 4.917 4.340 -0.001 0.000 0.271 37 R C -1.308 175.033 176.300 0.067 0.000 1.010 37 R CA -0.791 55.325 56.100 0.026 0.000 0.897 37 R CB 1.001 31.310 30.300 0.014 0.000 1.236 37 R HN -0.281 nan 8.270 nan 0.000 0.466 38 E N 1.333 121.586 120.200 0.088 0.000 2.244 38 E HA 0.435 4.784 4.350 -0.001 0.000 0.260 38 E C -0.968 175.695 176.600 0.104 0.000 0.884 38 E CA -0.616 55.897 56.400 0.188 0.000 0.777 38 E CB 2.074 31.944 29.700 0.284 0.000 1.197 38 E HN 0.616 nan 8.360 nan 0.000 0.416 39 I N 1.376 121.963 120.570 0.028 0.000 3.679 39 I HA 0.125 4.295 4.170 -0.001 0.000 0.370 39 I C -1.103 174.934 176.117 -0.133 0.000 1.123 39 I CA 0.068 61.342 61.300 -0.043 0.000 1.034 39 I CB 0.104 38.086 38.000 -0.030 0.000 2.718 39 I HN 0.538 nan 8.210 nan 0.000 0.830 40 C N 1.861 121.042 119.300 -0.199 0.000 2.689 40 C HA 0.808 5.268 4.460 -0.001 0.000 0.409 40 C C 1.330 176.020 174.990 -0.500 0.000 1.293 40 C CA 0.950 59.781 59.018 -0.312 0.000 2.136 40 C CB -0.454 27.146 27.740 -0.232 0.000 2.719 40 C HN 0.801 nan 8.230 nan 0.000 0.644 41 G N 1.369 109.977 108.800 -0.319 0.000 2.455 41 G HA2 0.319 4.278 3.960 -0.001 0.000 0.223 41 G HA3 0.319 4.278 3.960 -0.001 0.000 0.223 41 G C -0.483 174.329 174.900 -0.146 0.000 1.226 41 G CA 0.698 45.636 45.100 -0.269 0.000 0.948 41 G HN 0.496 nan 8.290 nan 0.000 0.478 42 D N -1.169 119.166 120.400 -0.108 0.000 2.887 42 D HA 0.204 4.844 4.640 -0.001 0.000 0.162 42 D C -0.868 175.392 176.300 -0.068 0.000 1.495 42 D CA 0.899 54.861 54.000 -0.065 0.000 1.531 42 D CB -0.396 40.389 40.800 -0.026 0.000 1.459 42 D HN 0.104 nan 8.370 nan 0.000 0.256 43 P HA -0.010 nan 4.420 nan 0.000 0.213 43 P C -1.605 175.659 177.300 -0.060 0.000 1.170 43 P CA 2.433 65.511 63.100 -0.036 0.000 0.898 43 P CB -0.985 30.713 31.700 -0.004 0.000 0.787 44 P HA -0.076 nan 4.420 nan 0.000 0.208 44 P C 1.633 178.887 177.300 -0.076 0.000 1.203 44 P CA 1.343 64.407 63.100 -0.060 0.000 0.920 44 P CB -0.609 31.062 31.700 -0.050 0.000 0.769 45 C N -0.737 118.512 119.300 -0.084 0.000 2.780 45 C HA 0.242 4.701 4.460 -0.001 0.000 0.267 45 C C 1.326 176.256 174.990 -0.101 0.000 1.266 45 C CA -0.201 58.766 59.018 -0.086 0.000 1.709 45 C CB -1.357 26.340 27.740 -0.073 0.000 1.975 45 C HN 0.153 nan 8.230 nan 0.000 0.582 46 E N 1.198 121.327 120.200 -0.117 0.000 2.330 46 E HA 0.494 4.843 4.350 -0.001 0.000 0.256 46 E C -0.055 176.441 176.600 -0.172 0.000 1.146 46 E CA 0.536 56.861 56.400 -0.124 0.000 0.945 46 E CB 1.819 31.451 29.700 -0.113 0.000 1.182 46 E HN 0.581 nan 8.360 nan 0.000 0.480 47 S N -0.943 114.634 115.700 -0.206 0.000 2.672 47 S HA 0.400 4.869 4.470 -0.001 0.000 0.271 47 S C -0.983 173.424 174.600 -0.322 0.000 1.171 47 S CA -0.880 57.108 58.200 -0.355 0.000 0.817 47 S CB -0.014 63.024 63.200 -0.270 0.000 1.150 47 S HN 0.392 nan 8.310 nan 0.000 0.478 48 Y N 1.775 121.947 120.300 -0.214 0.000 2.511 48 Y HA 0.309 4.858 4.550 -0.001 0.000 0.332 48 Y C 1.864 177.506 175.900 -0.430 0.000 1.177 48 Y CA 0.318 58.150 58.100 -0.448 0.000 1.422 48 Y CB 0.786 38.787 38.460 -0.764 0.000 1.271 48 Y HN 0.895 nan 8.280 nan 0.000 0.550 49 S N 1.161 116.720 115.700 -0.235 0.000 2.559 49 S HA -0.023 4.446 4.470 -0.001 0.000 0.226 49 S C 0.854 175.340 174.600 -0.189 0.000 1.030 49 S CA -0.448 57.651 58.200 -0.168 0.000 0.956 49 S CB -0.348 62.810 63.200 -0.069 0.000 0.900 49 S HN 0.718 nan 8.310 nan 0.000 0.510 50 F N 1.481 121.303 119.950 -0.213 0.000 2.789 50 F HA 0.534 5.061 4.527 -0.001 0.000 0.300 50 F C 0.406 176.055 175.800 -0.252 0.000 1.132 50 F CA -1.119 56.711 58.000 -0.283 0.000 1.404 50 F CB -0.625 38.102 39.000 -0.456 0.000 1.114 50 F HN -0.015 nan 8.300 nan 0.000 0.584 51 I N 2.548 122.732 120.570 -0.644 0.000 2.578 51 I HA 0.204 4.373 4.170 -0.001 0.000 0.286 51 I C 1.423 177.453 176.117 -0.144 0.000 1.126 51 I CA 0.977 62.064 61.300 -0.354 0.000 1.380 51 I CB -0.045 37.777 38.000 -0.296 0.000 1.408 51 I HN 0.607 nan 8.210 nan 0.000 0.532 52 G N 5.015 113.779 108.800 -0.059 0.000 2.176 52 G HA2 -0.254 3.706 3.960 -0.001 0.000 0.253 52 G HA3 -0.254 3.706 3.960 -0.001 0.000 0.253 52 G C 0.186 175.073 174.900 -0.022 0.000 0.979 52 G CA -0.395 44.690 45.100 -0.026 0.000 0.641 52 G HN 0.648 nan 8.290 nan 0.000 0.530 53 N N 0.968 119.651 118.700 -0.030 0.000 2.751 53 N HA 0.295 5.035 4.740 -0.001 0.000 0.238 53 N C -3.152 172.353 175.510 -0.008 0.000 1.351 53 N CA -0.800 52.239 53.050 -0.018 0.000 0.751 53 N CB 2.126 40.596 38.487 -0.029 0.000 1.342 53 N HN 0.075 nan 8.380 nan 0.000 0.540 54 P HA -0.083 nan 4.420 nan 0.000 0.266 54 P C 1.253 178.505 177.300 -0.081 0.000 1.186 54 P CA -0.011 63.066 63.100 -0.039 0.000 0.767 54 P CB 0.888 32.588 31.700 -0.001 0.000 0.820 55 V N -1.615 118.156 119.914 -0.238 0.000 3.660 55 V HA 0.278 4.397 4.120 -0.001 0.000 0.276 55 V C 0.285 176.295 176.094 -0.140 0.000 1.317 55 V CA 0.576 62.721 62.300 -0.258 0.000 1.097 55 V CB -0.846 30.705 31.823 -0.453 0.000 0.863 55 V HN 0.146 nan 8.190 nan 0.000 0.438 56 F N 0.726 120.635 119.950 -0.067 0.000 2.497 56 F HA 0.609 5.135 4.527 -0.001 0.000 0.331 56 F C 1.554 177.375 175.800 0.036 0.000 1.060 56 F CA -2.058 55.934 58.000 -0.014 0.000 0.989 56 F CB 1.609 40.615 39.000 0.010 0.000 1.245 56 F HN -0.212 nan 8.300 nan 0.000 0.486 57 K N 0.441 121.011 120.400 0.283 0.000 1.987 57 K HA -0.175 4.145 4.320 -0.001 0.000 0.216 57 K C 0.135 176.805 176.600 0.117 0.000 1.051 57 K CA 1.856 58.239 56.287 0.159 0.000 0.942 57 K CB -0.049 32.528 32.500 0.129 0.000 0.722 57 K HN 0.588 nan 8.250 nan 0.000 0.444 58 K N 0.382 120.849 120.400 0.111 0.000 2.395 58 K HA 0.374 4.693 4.320 -0.001 0.000 0.245 58 K C -2.891 173.716 176.600 0.012 0.000 1.017 58 K CA -2.104 54.165 56.287 -0.031 0.000 0.852 58 K CB 1.781 34.143 32.500 -0.231 0.000 1.311 58 K HN -0.204 nan 8.250 nan 0.000 0.452 59 P HA 0.189 nan 4.420 nan 0.000 0.292 59 P C -1.272 176.014 177.300 -0.024 0.000 1.326 59 P CA -0.248 62.892 63.100 0.067 0.000 0.787 59 P CB 0.211 31.939 31.700 0.047 0.000 0.903 60 F N 1.494 121.481 119.950 0.063 0.000 2.377 60 F HA 0.329 4.855 4.527 -0.001 0.000 0.328 60 F C 1.386 177.229 175.800 0.072 0.000 1.094 60 F CA -0.370 57.662 58.000 0.052 0.000 1.093 60 F CB 0.808 39.824 39.000 0.027 0.000 1.214 60 F HN 0.200 nan 8.300 nan 0.000 0.518 61 E N 1.277 121.625 120.200 0.247 0.000 2.283 61 E HA 0.149 4.499 4.350 -0.001 0.000 0.267 61 E C 0.941 177.666 176.600 0.209 0.000 1.045 61 E CA -0.513 55.996 56.400 0.183 0.000 0.884 61 E CB 1.414 31.197 29.700 0.138 0.000 1.106 61 E HN 0.493 nan 8.360 nan 0.000 0.408 62 L N 2.530 123.853 121.223 0.166 0.000 1.991 62 L HA -0.290 4.050 4.340 -0.001 0.000 0.221 62 L C 1.877 178.857 176.870 0.183 0.000 1.079 62 L CA 2.484 57.419 54.840 0.158 0.000 0.778 62 L CB -0.694 41.448 42.059 0.139 0.000 0.893 62 L HN 0.669 nan 8.230 nan 0.000 0.437 63 D N -1.248 119.270 120.400 0.196 0.000 2.178 63 D HA -0.164 4.476 4.640 -0.001 0.000 0.201 63 D C 0.833 177.257 176.300 0.207 0.000 0.980 63 D CA 0.696 54.821 54.000 0.208 0.000 0.842 63 D CB -0.510 40.409 40.800 0.198 0.000 0.948 63 D HN 0.546 nan 8.370 nan 0.000 0.472 67 E N 0.270 120.582 120.200 0.186 0.000 2.047 67 E HA -0.167 4.183 4.350 -0.001 0.000 0.191 67 E C 1.423 178.136 176.600 0.188 0.000 0.987 67 E CA 1.897 58.399 56.400 0.170 0.000 0.799 67 E CB -0.349 29.448 29.700 0.162 0.000 0.752 67 E HN 0.435 nan 8.360 nan 0.000 0.449 68 Y N -0.374 119.984 120.300 0.097 0.000 2.165 68 Y HA -0.298 4.251 4.550 -0.001 0.000 0.286 68 Y C 2.177 178.087 175.900 0.018 0.000 1.155 68 Y CA 2.275 60.414 58.100 0.066 0.000 1.164 68 Y CB -0.683 37.803 38.460 0.043 0.000 0.978 68 Y HN 0.270 nan 8.280 nan 0.000 0.513 69 Y N -0.713 119.654 120.300 0.112 0.000 2.163 69 Y HA -0.212 4.337 4.550 -0.001 0.000 0.288 69 Y C 2.089 178.017 175.900 0.047 0.000 1.136 69 Y CA 1.585 59.658 58.100 -0.044 0.000 1.147 69 Y CB -0.595 37.724 38.460 -0.235 0.000 0.987 69 Y HN 0.158 nan 8.280 nan 0.000 0.509 70 L N 1.302 122.667 121.223 0.235 0.000 2.017 70 L HA -0.238 4.102 4.340 -0.001 0.000 0.208 70 L C 2.408 179.311 176.870 0.054 0.000 1.073 70 L CA 2.019 56.956 54.840 0.163 0.000 0.745 70 L CB -1.496 40.657 42.059 0.157 0.000 0.894 70 L HN 0.465 nan 8.230 nan 0.000 0.432 71 N N -0.595 118.110 118.700 0.009 0.000 2.188 71 N HA -0.267 4.473 4.740 -0.001 0.000 0.184 71 N C 2.163 177.582 175.510 -0.152 0.000 1.018 71 N CA 1.061 54.071 53.050 -0.067 0.000 0.858 71 N CB -0.199 38.232 38.487 -0.094 0.000 0.989 71 N HN 0.305 nan 8.380 nan 0.000 0.426 72 F N 0.794 120.508 119.950 -0.394 0.000 2.126 72 F HA -0.122 4.405 4.527 -0.001 0.000 0.299 72 F C 1.606 176.983 175.800 -0.706 0.000 1.096 72 F CA 1.527 59.175 58.000 -0.586 0.000 1.255 72 F CB -0.528 38.051 39.000 -0.701 0.000 0.997 72 F HN -0.041 nan 8.300 nan 0.000 0.479 73 F N 0.308 120.112 119.950 -0.244 0.000 2.569 73 F HA 0.037 4.564 4.527 -0.001 0.000 0.295 73 F C 2.266 177.933 175.800 -0.222 0.000 1.115 73 F CA 0.763 58.502 58.000 -0.434 0.000 1.450 73 F CB -0.467 38.084 39.000 -0.748 0.000 1.107 73 F HN -0.032 nan 8.300 nan 0.000 0.563 74 E N 0.562 120.753 120.200 -0.014 0.000 2.106 74 E HA -0.171 4.178 4.350 -0.001 0.000 0.192 74 E C 1.703 178.272 176.600 -0.052 0.000 0.984 74 E CA 0.804 57.214 56.400 0.016 0.000 0.806 74 E CB -0.108 29.595 29.700 0.004 0.000 0.750 74 E HN 0.457 nan 8.360 nan 0.000 0.458 75 R N 0.358 120.760 120.500 -0.164 0.000 2.346 75 R HA 0.136 4.475 4.340 -0.001 0.000 0.225 75 R C 0.876 177.045 176.300 -0.217 0.000 0.987 75 R CA 0.211 56.196 56.100 -0.192 0.000 1.106 75 R CB 0.119 30.267 30.300 -0.253 0.000 1.090 75 R HN -0.095 nan 8.270 nan 0.000 0.502 76 R N 0.055 120.458 120.500 -0.162 0.000 2.642 76 R HA 0.176 4.516 4.340 -0.001 0.000 0.435 76 R C 0.061 176.444 176.300 0.139 0.000 1.046 76 R CA 0.242 56.288 56.100 -0.090 0.000 1.103 76 R CB 1.516 31.645 30.300 -0.284 0.000 1.425 76 R HN 0.485 nan 8.270 nan 0.000 0.586 77 G N 0.717 109.577 108.800 0.100 0.000 2.176 77 G HA2 -0.281 3.678 3.960 -0.001 0.000 0.253 77 G HA3 -0.281 3.678 3.960 -0.001 0.000 0.253 77 G C -0.224 174.728 174.900 0.087 0.000 0.979 77 G CA 0.083 45.240 45.100 0.094 0.000 0.641 77 G HN 0.419 nan 8.290 nan 0.000 0.530 78 H N 0.538 119.642 119.070 0.056 0.000 2.548 78 H HA 0.533 5.088 4.556 -0.001 0.000 0.331 78 H C 0.971 176.334 175.328 0.059 0.000 1.093 78 H CA 0.636 56.733 56.048 0.081 0.000 1.367 78 H CB 1.420 31.247 29.762 0.110 0.000 1.455 78 H HN 0.424 nan 8.280 nan 0.000 0.519 79 G N 2.686 111.569 108.800 0.138 0.000 2.339 79 G HA2 0.242 4.201 3.960 -0.001 0.000 0.287 79 G HA3 0.242 4.201 3.960 -0.001 0.000 0.287 79 G C -0.211 174.764 174.900 0.125 0.000 1.163 79 G CA -0.725 44.435 45.100 0.100 0.000 0.872 79 G HN 0.585 nan 8.290 nan 0.000 0.464 80 R N 2.129 122.691 120.500 0.104 0.000 2.438 80 R HA 0.476 4.816 4.340 -0.001 0.000 0.287 80 R C -0.535 175.829 176.300 0.107 0.000 1.077 80 R CA -0.353 55.812 56.100 0.107 0.000 1.034 80 R CB 0.612 30.959 30.300 0.079 0.000 0.993 80 R HN 0.521 nan 8.270 nan 0.000 0.459 81 I N 2.485 123.139 120.570 0.139 0.000 2.647 81 I HA 0.276 4.446 4.170 -0.001 0.000 0.295 81 I C -0.675 175.532 176.117 0.150 0.000 1.078 81 I CA -0.883 60.510 61.300 0.155 0.000 1.048 81 I CB 2.010 40.155 38.000 0.243 0.000 1.239 81 I HN 0.608 nan 8.210 nan 0.000 0.421 82 E N 5.832 126.095 120.200 0.105 0.000 2.398 82 E HA 0.097 4.447 4.350 -0.001 0.000 0.263 82 E C -0.330 176.367 176.600 0.161 0.000 1.046 82 E CA -0.196 56.248 56.400 0.074 0.000 0.908 82 E CB 0.709 30.408 29.700 -0.002 0.000 0.963 82 E HN 0.592 nan 8.360 nan 0.000 0.431 83 R N 1.320 121.907 120.500 0.145 0.000 2.811 83 R HA 0.048 4.388 4.340 -0.001 0.000 0.265 83 R C -0.544 175.954 176.300 0.330 0.000 1.026 83 R CA 0.124 56.369 56.100 0.242 0.000 1.142 83 R CB 0.158 30.585 30.300 0.211 0.000 1.027 83 R HN 0.286 nan 8.270 nan 0.000 0.465 84 Y N 0.535 120.883 120.300 0.080 0.000 2.488 84 Y HA 0.423 4.973 4.550 0.000 0.000 0.325 84 Y C -1.761 174.300 175.900 0.269 0.000 1.204 84 Y CA -2.822 55.355 58.100 0.128 0.000 1.229 84 Y CB 0.819 39.169 38.460 -0.184 0.000 1.274 84 Y HN 0.621 nan 8.280 nan 0.000 0.493 85 P HA 0.025 nan 4.420 nan 0.000 0.274 85 P C 0.630 178.197 177.300 0.445 0.000 1.256 85 P CA -0.075 63.304 63.100 0.465 0.000 0.795 85 P CB 1.147 33.104 31.700 0.427 0.000 1.038 86 V N -1.585 118.541 119.914 0.354 0.000 3.510 86 V HA 0.040 4.160 4.120 -0.001 0.000 0.270 86 V C 0.537 176.710 176.094 0.131 0.000 1.201 86 V CA 0.612 63.055 62.300 0.239 0.000 1.166 86 V CB -0.666 31.289 31.823 0.219 0.000 0.825 86 V HN 0.118 nan 8.190 nan 0.000 0.484 87 V N 1.673 121.646 119.914 0.098 0.000 2.347 87 V HA 0.704 4.824 4.120 -0.001 0.000 0.280 87 V C 0.959 176.884 176.094 -0.280 0.000 1.021 87 V CA -0.066 62.188 62.300 -0.075 0.000 0.847 87 V CB 0.909 32.662 31.823 -0.116 0.000 0.990 87 V HN 0.432 nan 8.190 nan 0.000 0.444 88 A N 5.984 128.479 122.820 -0.543 0.000 3.052 88 A HA 0.160 4.480 4.320 -0.001 0.000 0.266 88 A C 1.645 178.576 177.584 -1.089 0.000 1.855 88 A CA -0.147 51.082 52.037 -1.348 0.000 1.473 88 A CB -0.554 17.831 19.000 -1.026 0.000 1.038 88 A HN 0.767 nan 8.150 nan 0.000 0.619 89 R N 0.584 120.639 120.500 -0.742 0.000 2.120 89 R HA -0.193 4.147 4.340 -0.001 0.000 0.234 89 R C 1.478 177.671 176.300 -0.179 0.000 1.123 89 R CA 1.766 57.670 56.100 -0.326 0.000 0.975 89 R CB -0.518 29.723 30.300 -0.098 0.000 0.866 89 R HN 1.035 nan 8.270 nan 0.000 0.446 90 W N 2.628 123.707 121.300 -0.368 0.000 2.961 90 W HA 0.037 4.696 4.660 -0.002 0.000 0.240 90 W C 0.570 176.999 176.519 -0.151 0.000 1.305 90 W CA -0.490 56.696 57.345 -0.264 0.000 1.465 90 W CB -0.036 29.262 29.460 -0.270 0.000 1.135 90 W HN -0.083 nan 8.180 nan 0.000 0.688 91 R N -0.549 119.701 120.500 -0.417 0.000 2.947 91 R HA 0.657 4.997 4.340 -0.001 0.000 0.253 91 R C 0.165 176.332 176.300 -0.223 0.000 1.208 91 R CA -0.099 55.865 56.100 -0.227 0.000 1.012 91 R CB 0.949 31.081 30.300 -0.281 0.000 1.267 91 R HN -0.031 nan 8.270 nan 0.000 0.473 92 T N -4.200 110.260 114.554 -0.155 0.000 3.130 92 T HA 0.036 4.385 4.350 -0.001 0.000 0.288 92 T C 0.547 175.137 174.700 -0.183 0.000 0.936 92 T CA 0.140 62.158 62.100 -0.138 0.000 0.897 92 T CB 0.001 68.831 68.868 -0.063 0.000 1.178 92 T HN 0.654 nan 8.240 nan 0.000 0.543 93 D N 2.496 122.781 120.400 -0.192 0.000 2.249 93 D HA 0.114 4.754 4.640 -0.001 0.000 0.205 93 D C 1.011 177.147 176.300 -0.272 0.000 0.962 93 D CA 0.138 54.015 54.000 -0.204 0.000 0.860 93 D CB 0.037 40.747 40.800 -0.151 0.000 0.955 93 D HN 0.752 nan 8.370 nan 0.000 0.505 94 I N -4.818 115.581 120.570 -0.285 0.000 2.934 94 I HA 0.387 4.556 4.170 -0.001 0.000 0.306 94 I C 0.026 175.977 176.117 -0.277 0.000 1.110 94 I CA -1.163 59.961 61.300 -0.294 0.000 1.019 94 I CB 1.772 39.673 38.000 -0.164 0.000 1.227 94 I HN -0.397 nan 8.210 nan 0.000 0.434 95 Y N 2.965 123.188 120.300 -0.127 0.000 2.301 95 Y HA 0.385 4.935 4.550 -0.001 0.000 0.295 95 Y C 0.709 176.510 175.900 -0.164 0.000 1.119 95 Y CA 0.456 58.474 58.100 -0.137 0.000 1.162 95 Y CB 0.077 38.498 38.460 -0.066 0.000 1.046 95 Y HN 0.311 nan 8.280 nan 0.000 0.538 96 L N -0.688 120.567 121.223 0.055 0.000 2.303 96 L HA 0.437 4.776 4.340 -0.001 0.000 0.266 96 L C -0.016 176.841 176.870 -0.023 0.000 1.011 96 L CA -0.988 53.853 54.840 0.002 0.000 0.818 96 L CB 1.436 43.524 42.059 0.048 0.000 1.326 96 L HN -0.253 nan 8.230 nan 0.000 0.435 97 T N 2.207 116.768 114.554 0.013 0.000 2.743 97 T HA 0.217 4.566 4.350 -0.001 0.000 0.290 97 T C 1.313 176.041 174.700 0.048 0.000 0.908 97 T CA -0.150 61.995 62.100 0.075 0.000 1.092 97 T CB -0.074 68.900 68.868 0.176 0.000 0.882 97 T HN 0.528 nan 8.240 nan 0.000 0.531 98 I N 0.227 120.845 120.570 0.080 0.000 3.603 98 I HA 0.593 4.763 4.170 -0.001 0.000 0.297 98 I C 0.774 176.984 176.117 0.154 0.000 1.269 98 I CA -0.312 61.058 61.300 0.116 0.000 1.361 98 I CB 0.112 38.206 38.000 0.156 0.000 1.063 98 I HN 0.501 nan 8.210 nan 0.000 0.448 99 A N 0.866 123.763 122.820 0.129 0.000 2.608 99 A HA 0.482 4.802 4.320 -0.001 0.000 0.292 99 A C 0.852 178.471 177.584 0.058 0.000 1.066 99 A CA 0.060 52.166 52.037 0.115 0.000 0.676 99 A CB 0.757 19.873 19.000 0.194 0.000 1.277 99 A HN 0.194 nan 8.150 nan 0.000 0.413 100 S N 0.670 116.400 115.700 0.052 0.000 2.383 100 S HA -0.189 4.280 4.470 -0.001 0.000 0.229 100 S C 1.655 176.288 174.600 0.056 0.000 1.030 100 S CA 1.912 60.160 58.200 0.079 0.000 1.002 100 S CB -0.539 62.806 63.200 0.242 0.000 0.829 100 S HN 1.339 nan 8.310 nan 0.000 0.467 101 I N 2.652 123.272 120.570 0.083 0.000 2.567 101 I HA 0.028 4.197 4.170 -0.001 0.000 0.257 101 I C 2.371 178.534 176.117 0.076 0.000 1.184 101 I CA 0.466 61.784 61.300 0.031 0.000 1.451 101 I CB -0.882 37.119 38.000 0.001 0.000 1.089 101 I HN 0.369 nan 8.210 nan 0.000 0.441 102 A N -0.292 122.572 122.820 0.073 0.000 2.067 102 A HA -0.171 4.149 4.320 -0.001 0.000 0.219 102 A C 1.871 179.549 177.584 0.157 0.000 1.158 102 A CA 1.695 53.824 52.037 0.153 0.000 0.661 102 A CB -0.680 18.430 19.000 0.185 0.000 0.801 102 A HN 0.458 nan 8.150 nan 0.000 0.452 103 D N -0.554 119.613 120.400 -0.388 0.000 2.219 103 D HA -0.086 4.553 4.640 -0.001 0.000 0.205 103 D C 0.621 176.209 176.300 -1.186 0.000 0.970 103 D CA 1.046 54.268 54.000 -1.296 0.000 0.851 103 D CB -0.292 38.950 40.800 -2.597 0.000 0.943 103 D HN 0.623 nan 8.370 nan 0.000 0.488 104 F N 0.301 120.173 119.950 -0.129 0.000 2.647 104 F HA 0.292 4.818 4.527 -0.001 0.000 0.300 104 F C 0.728 176.605 175.800 0.128 0.000 1.106 104 F CA -0.406 57.588 58.000 -0.009 0.000 1.313 104 F CB 0.149 39.151 39.000 0.003 0.000 1.007 104 F HN -0.344 nan 8.300 nan 0.000 0.536 105 Q N 2.085 122.049 119.800 0.274 0.000 2.306 105 Q HA 0.280 4.620 4.340 -0.001 0.000 0.265 105 Q C -1.843 174.290 176.000 0.221 0.000 1.022 105 Q CA -1.924 54.011 55.803 0.220 0.000 0.853 105 Q CB 2.309 31.152 28.738 0.175 0.000 1.327 105 Q HN -0.127 nan 8.270 nan 0.000 0.449 106 P HA 0.066 nan 4.420 nan 0.000 0.272 106 P C 0.307 177.503 177.300 -0.172 0.000 1.276 106 P CA 0.332 63.347 63.100 -0.141 0.000 0.871 106 P CB 0.420 31.940 31.700 -0.299 0.000 1.313 107 F N 0.100 120.141 119.950 0.150 0.000 2.186 107 F HA -0.113 4.413 4.527 -0.000 0.000 0.299 107 F C 2.456 178.332 175.800 0.127 0.000 1.090 107 F CA 1.142 59.222 58.000 0.134 0.000 1.307 107 F CB -1.287 37.797 39.000 0.140 0.000 1.019 107 F HN -0.272 nan 8.300 nan 0.000 0.489 108 V N -0.242 119.845 119.914 0.289 0.000 2.446 108 V HA -0.193 3.927 4.120 -0.001 0.000 0.244 108 V C 2.488 178.673 176.094 0.151 0.000 1.039 108 V CA 2.084 64.470 62.300 0.144 0.000 1.045 108 V CB -1.046 30.790 31.823 0.022 0.000 0.681 108 V HN 0.509 nan 8.190 nan 0.000 0.459 109 T N -1.059 113.628 114.554 0.221 0.000 2.962 109 T HA -0.132 4.217 4.350 -0.001 0.000 0.270 109 T C 1.662 176.458 174.700 0.160 0.000 1.088 109 T CA 1.461 63.700 62.100 0.232 0.000 1.127 109 T CB -0.389 68.610 68.868 0.218 0.000 0.883 109 T HN 0.579 nan 8.240 nan 0.000 0.493 110 S N -0.114 115.670 115.700 0.141 0.000 2.556 110 S HA 0.503 4.972 4.470 -0.001 0.000 0.216 110 S C 1.927 176.628 174.600 0.168 0.000 0.970 110 S CA 0.302 58.576 58.200 0.123 0.000 0.912 110 S CB -0.347 62.893 63.200 0.067 0.000 0.790 110 S HN 1.078 nan 8.310 nan 0.000 0.504 111 G N 0.827 109.763 108.800 0.226 0.000 2.225 111 G HA2 -0.350 3.610 3.960 -0.001 0.000 0.254 111 G HA3 -0.350 3.610 3.960 -0.001 0.000 0.254 111 G C 0.856 175.862 174.900 0.177 0.000 0.988 111 G CA 0.255 45.531 45.100 0.293 0.000 0.625 111 G HN 0.642 nan 8.290 nan 0.000 0.527 112 V N 0.389 120.413 119.914 0.182 0.000 2.380 112 V HA 0.224 4.343 4.120 -0.001 0.000 0.251 112 V C 1.727 177.924 176.094 0.171 0.000 1.063 112 V CA 2.719 65.135 62.300 0.194 0.000 1.055 112 V CB -0.658 31.352 31.823 0.313 0.000 0.657 112 V HN 1.696 nan 8.190 nan 0.000 0.455 113 A N -0.436 122.491 122.820 0.178 0.000 2.515 113 A HA 0.783 5.103 4.320 -0.001 0.000 0.296 113 A C -2.932 174.684 177.584 0.053 0.000 1.094 113 A CA -1.595 50.512 52.037 0.117 0.000 0.718 113 A CB 1.667 20.761 19.000 0.157 0.000 1.307 113 A HN 0.100 nan 8.150 nan 0.000 0.408 114 P HA 0.402 nan 4.420 nan 0.000 0.286 114 P C -2.784 174.436 177.300 -0.133 0.000 1.261 114 P CA -1.381 61.679 63.100 -0.067 0.000 0.821 114 P CB 0.953 32.618 31.700 -0.059 0.000 1.013 115 P HA 0.191 nan 4.420 nan 0.000 0.272 115 P C -2.011 175.205 177.300 -0.140 0.000 1.240 115 P CA -1.485 61.356 63.100 -0.432 0.000 0.791 115 P CB -0.482 30.644 31.700 -0.956 0.000 0.978 116 P HA -0.088 nan 4.420 nan 0.000 0.216 116 P C 0.260 177.571 177.300 0.017 0.000 1.150 116 P CA 1.985 65.118 63.100 0.056 0.000 0.843 116 P CB -0.008 31.797 31.700 0.174 0.000 0.787 117 A N -2.126 120.695 122.820 0.002 0.000 2.583 117 A HA 0.719 5.039 4.320 -0.001 0.000 0.289 117 A C -1.391 176.194 177.584 0.002 0.000 1.151 117 A CA -0.372 51.670 52.037 0.009 0.000 0.695 117 A CB 1.165 20.188 19.000 0.039 0.000 1.290 117 A HN -0.086 nan 8.150 nan 0.000 0.419 118 N N 0.718 119.421 118.700 0.004 0.000 2.655 118 N HA 0.479 5.218 4.740 -0.001 0.000 0.277 118 N C -3.086 172.398 175.510 -0.044 0.000 1.177 118 N CA -0.682 52.375 53.050 0.011 0.000 0.882 118 N CB 2.168 40.683 38.487 0.046 0.000 1.481 118 N HN 0.558 nan 8.380 nan 0.000 0.547 119 P HA 0.416 nan 4.420 nan 0.000 0.276 119 P C -0.871 176.378 177.300 -0.085 0.000 1.252 119 P CA -0.560 62.426 63.100 -0.190 0.000 0.802 119 P CB 1.097 32.517 31.700 -0.467 0.000 1.035 120 L N -2.180 119.095 121.223 0.088 0.000 2.301 120 L HA 0.939 5.278 4.340 -0.001 0.000 0.264 120 L C -0.211 176.816 176.870 0.261 0.000 1.016 120 L CA -0.618 54.327 54.840 0.175 0.000 0.821 120 L CB 1.415 43.557 42.059 0.138 0.000 1.346 120 L HN 0.377 nan 8.230 nan 0.000 0.429 121 T N 1.418 116.098 114.554 0.210 0.000 2.893 121 T HA 0.799 5.149 4.350 -0.001 0.000 0.293 121 T C -1.281 173.518 174.700 0.164 0.000 1.027 121 T CA -0.359 61.816 62.100 0.124 0.000 0.988 121 T CB 0.928 69.840 68.868 0.074 0.000 1.043 121 T HN 0.902 nan 8.240 nan 0.000 0.461 122 I N 2.001 122.664 120.570 0.154 0.000 2.984 122 I HA 0.589 4.759 4.170 -0.001 0.000 0.303 122 I C -1.466 174.712 176.117 0.102 0.000 1.381 122 I CA -0.577 60.823 61.300 0.165 0.000 0.988 122 I CB 2.241 40.385 38.000 0.240 0.000 1.307 122 I HN 0.613 nan 8.210 nan 0.000 0.460 123 S N 3.836 119.593 115.700 0.095 0.000 2.601 123 S HA 0.421 4.890 4.470 -0.001 0.000 0.312 123 S C -0.953 173.698 174.600 0.084 0.000 1.107 123 S CA -0.368 57.861 58.200 0.048 0.000 1.129 123 S CB 0.544 63.789 63.200 0.075 0.000 0.982 123 S HN 0.519 nan 8.310 nan 0.000 0.469 124 Q N 5.328 125.153 119.800 0.042 0.000 2.340 124 Q HA 0.503 4.843 4.340 -0.001 0.000 0.259 124 Q C -2.741 173.229 176.000 -0.050 0.000 0.964 124 Q CA -2.129 53.695 55.803 0.035 0.000 0.900 124 Q CB 1.195 29.935 28.738 0.003 0.000 1.228 124 Q HN 0.293 nan 8.270 nan 0.000 0.449 125 P HA 0.122 nan 4.420 nan 0.000 0.271 125 P C -0.957 176.185 177.300 -0.263 0.000 1.220 125 P CA -0.117 62.854 63.100 -0.214 0.000 0.768 125 P CB 0.683 32.266 31.700 -0.196 0.000 0.848 126 C N 4.042 123.027 119.300 -0.525 0.000 2.707 126 C HA 0.585 5.044 4.460 -0.001 0.000 0.313 126 C C -0.037 174.690 174.990 -0.438 0.000 1.209 126 C CA -0.507 58.218 59.018 -0.489 0.000 1.635 126 C CB 1.268 28.564 27.740 -0.740 0.000 2.206 126 C HN 0.464 nan 8.230 nan 0.000 0.485 127 I N 2.583 123.055 120.570 -0.164 0.000 2.418 127 I HA 0.418 4.587 4.170 -0.001 0.000 0.287 127 I C -0.236 175.938 176.117 0.095 0.000 1.008 127 I CA -0.353 60.933 61.300 -0.024 0.000 1.104 127 I CB 0.909 38.909 38.000 0.000 0.000 1.264 127 I HN 0.463 nan 8.210 nan 0.000 0.438 128 R N 6.099 126.726 120.500 0.211 0.000 2.396 128 R HA 0.269 4.608 4.340 -0.001 0.000 0.292 128 R C 0.321 176.715 176.300 0.157 0.000 1.240 128 R CA -0.740 55.501 56.100 0.235 0.000 1.270 128 R CB 1.292 31.818 30.300 0.378 0.000 1.108 128 R HN 0.554 nan 8.270 nan 0.000 0.573 129 L N 1.197 122.483 121.223 0.105 0.000 2.275 129 L HA -0.097 4.242 4.340 -0.001 0.000 0.215 129 L C 1.370 178.285 176.870 0.076 0.000 1.119 129 L CA 1.550 56.432 54.840 0.070 0.000 0.790 129 L CB -0.211 41.887 42.059 0.065 0.000 0.919 129 L HN 0.348 nan 8.230 nan 0.000 0.443 130 D N -0.274 120.178 120.400 0.086 0.000 2.309 130 D HA -0.143 4.496 4.640 -0.001 0.000 0.212 130 D C 1.059 177.387 176.300 0.047 0.000 0.968 130 D CA 0.887 54.927 54.000 0.068 0.000 0.882 130 D CB 0.052 40.892 40.800 0.066 0.000 0.918 130 D HN 0.378 nan 8.370 nan 0.000 0.503 131 D N -0.016 120.418 120.400 0.057 0.000 2.349 131 D HA -0.017 4.622 4.640 -0.001 0.000 0.214 131 D C 2.024 178.331 176.300 0.013 0.000 1.063 131 D CA -0.252 53.742 54.000 -0.011 0.000 0.847 131 D CB 0.414 41.256 40.800 0.070 0.000 0.933 131 D HN 0.073 nan 8.370 nan 0.000 0.513 132 L N 1.607 122.861 121.223 0.051 0.000 2.051 132 L HA -0.221 4.118 4.340 -0.001 0.000 0.214 132 L C 1.024 177.946 176.870 0.086 0.000 1.076 132 L CA 1.998 56.875 54.840 0.061 0.000 0.758 132 L CB -0.600 41.474 42.059 0.024 0.000 0.890 132 L HN -0.112 nan 8.230 nan 0.000 0.433 133 D N -1.797 118.648 120.400 0.074 0.000 2.269 133 D HA -0.094 4.545 4.640 -0.001 0.000 0.208 133 D C 2.160 178.485 176.300 0.040 0.000 0.963 133 D CA 1.103 55.151 54.000 0.081 0.000 0.864 133 D CB -0.022 40.825 40.800 0.078 0.000 0.936 133 D HN 0.517 nan 8.370 nan 0.000 0.505 134 S N -0.469 115.217 115.700 -0.023 0.000 2.535 134 S HA 0.085 4.555 4.470 -0.001 0.000 0.214 134 S C 0.816 175.466 174.600 0.082 0.000 0.980 134 S CA -0.449 57.725 58.200 -0.043 0.000 0.907 134 S CB -0.042 62.979 63.200 -0.298 0.000 0.790 134 S HN -0.071 nan 8.310 nan 0.000 0.510 135 V N 2.581 122.570 119.914 0.126 0.000 2.673 135 V HA 0.437 4.557 4.120 -0.001 0.000 0.303 135 V C 1.698 177.865 176.094 0.122 0.000 1.046 135 V CA 1.191 63.619 62.300 0.214 0.000 1.126 135 V CB -0.051 31.920 31.823 0.246 0.000 0.934 135 V HN 0.755 nan 8.190 nan 0.000 0.487 136 G N 4.685 113.544 108.800 0.099 0.000 2.245 136 G HA2 -0.311 3.649 3.960 -0.001 0.000 0.264 136 G HA3 -0.311 3.649 3.960 -0.001 0.000 0.264 136 G C 1.014 176.028 174.900 0.189 0.000 0.985 136 G CA 0.827 45.894 45.100 -0.055 0.000 0.625 136 G HN 0.668 nan 8.290 nan 0.000 0.536 137 R N -0.627 119.993 120.500 0.202 0.000 2.164 137 R HA 0.175 4.515 4.340 -0.001 0.000 0.198 137 R C 2.728 179.159 176.300 0.219 0.000 1.028 137 R CA 1.305 57.518 56.100 0.189 0.000 1.083 137 R CB -0.256 30.121 30.300 0.128 0.000 1.026 137 R HN 0.477 nan 8.270 nan 0.000 0.514 138 T N -2.532 112.179 114.554 0.262 0.000 3.081 138 T HA 0.166 4.516 4.350 -0.001 0.000 0.255 138 T C 1.561 176.443 174.700 0.303 0.000 1.113 138 T CA 0.691 62.970 62.100 0.299 0.000 1.082 138 T CB 0.593 69.708 68.868 0.411 0.000 0.939 138 T HN 0.396 nan 8.240 nan 0.000 0.506 139 G N 2.804 111.714 108.800 0.184 0.000 2.205 139 G HA2 -0.367 3.593 3.960 -0.001 0.000 0.261 139 G HA3 -0.367 3.593 3.960 -0.001 0.000 0.261 139 G C 0.947 175.432 174.900 -0.693 0.000 0.980 139 G CA 0.508 45.506 45.100 -0.171 0.000 0.632 139 G HN 0.852 nan 8.290 nan 0.000 0.533 140 R N -0.791 119.542 120.500 -0.280 0.000 2.531 140 R HA 0.441 4.781 4.340 -0.001 0.000 0.316 140 R C 0.222 176.295 176.300 -0.378 0.000 0.955 140 R CA -0.153 55.729 56.100 -0.363 0.000 1.120 140 R CB 0.167 30.450 30.300 -0.028 0.000 1.361 140 R HN 0.422 nan 8.270 nan 0.000 0.534 141 H N 0.485 119.516 119.070 -0.066 0.000 2.457 141 H HA 0.553 5.108 4.556 -0.001 0.000 0.335 141 H C -0.825 174.565 175.328 0.104 0.000 1.115 141 H CA -0.330 55.718 56.048 0.000 0.000 1.219 141 H CB 1.846 31.649 29.762 0.069 0.000 1.471 141 H HN -0.041 nan 8.280 nan 0.000 0.491 142 L N 0.576 121.914 121.223 0.191 0.000 2.327 142 L HA 0.318 4.658 4.340 -0.001 0.000 0.258 142 L C 1.154 178.197 176.870 0.289 0.000 1.024 142 L CA -0.567 54.438 54.840 0.275 0.000 0.825 142 L CB 2.311 44.511 42.059 0.235 0.000 1.386 142 L HN 0.785 nan 8.230 nan 0.000 0.417 143 T N -1.551 113.162 114.554 0.266 0.000 2.901 143 T HA 0.128 4.477 4.350 -0.001 0.000 0.252 143 T C 0.303 175.137 174.700 0.224 0.000 1.035 143 T CA 0.328 62.545 62.100 0.195 0.000 1.142 143 T CB 0.087 68.979 68.868 0.039 0.000 0.869 143 T HN 0.281 nan 8.240 nan 0.000 0.442 144 L N 2.212 123.534 121.223 0.165 0.000 2.296 144 L HA 0.684 5.023 4.340 -0.001 0.000 0.286 144 L C -1.405 175.524 176.870 0.097 0.000 1.023 144 L CA -1.198 53.650 54.840 0.014 0.000 0.812 144 L CB 1.133 43.114 42.059 -0.130 0.000 1.223 144 L HN 0.449 nan 8.230 nan 0.000 0.421 145 F N 1.512 121.396 119.950 -0.111 0.000 2.693 145 F HA 0.657 5.184 4.527 -0.000 0.000 0.309 145 F C -0.740 175.004 175.800 -0.093 0.000 1.129 145 F CA -0.924 57.023 58.000 -0.089 0.000 0.948 145 F CB 0.969 39.950 39.000 -0.032 0.000 1.315 145 F HN 0.438 nan 8.300 nan 0.000 0.447 150 H N 0.203 118.910 119.070 -0.605 0.000 2.589 150 H HA 0.848 5.404 4.556 -0.001 0.000 0.335 150 H C -0.826 174.249 175.328 -0.422 0.000 1.019 150 H CA -0.684 54.997 56.048 -0.612 0.000 1.213 150 H CB 1.013 30.016 29.762 -1.265 0.000 1.472 150 H HN 0.591 nan 8.280 nan 0.000 0.508 151 H N 2.322 121.361 119.070 -0.051 0.000 2.529 151 H HA 0.743 5.298 4.556 -0.001 0.000 0.348 151 H C -0.778 174.340 175.328 -0.349 0.000 1.152 151 H CA -0.725 55.149 56.048 -0.289 0.000 1.202 151 H CB 2.163 31.688 29.762 -0.395 0.000 1.562 151 H HN 0.888 nan 8.280 nan 0.000 0.515 152 A N 2.798 125.316 122.820 -0.503 0.000 2.381 152 A HA 0.541 4.861 4.320 -0.001 0.000 0.299 152 A C -1.542 175.605 177.584 -0.728 0.000 1.049 152 A CA -0.640 51.048 52.037 -0.581 0.000 0.715 152 A CB 0.570 18.962 19.000 -1.013 0.000 1.222 152 A HN 0.439 nan 8.150 nan 0.000 0.428 153 F N 3.004 122.739 119.950 -0.358 0.000 2.361 153 F HA 0.370 4.896 4.527 -0.001 0.000 0.364 153 F C 0.307 175.715 175.800 -0.653 0.000 1.117 153 F CA -0.560 57.159 58.000 -0.469 0.000 1.071 153 F CB 1.400 40.197 39.000 -0.337 0.000 1.188 153 F HN 0.483 nan 8.300 nan 0.000 0.464 154 N N 3.340 121.517 118.700 -0.873 0.000 2.456 154 N HA 0.444 5.184 4.740 -0.001 0.000 0.296 154 N C -1.181 173.649 175.510 -1.134 0.000 1.102 154 N CA -0.569 51.850 53.050 -1.051 0.000 0.924 154 N CB 1.702 39.078 38.487 -1.852 0.000 1.186 154 N HN 0.433 nan 8.380 nan 0.000 0.492 155 Y N -0.775 119.310 120.300 -0.360 0.000 2.576 155 Y HA 0.386 4.936 4.550 -0.001 0.000 0.346 155 Y C -2.147 173.738 175.900 -0.025 0.000 1.018 155 Y CA -2.328 55.689 58.100 -0.138 0.000 1.050 155 Y CB 1.342 39.758 38.460 -0.074 0.000 1.280 155 Y HN 0.347 nan 8.280 nan 0.000 0.474 156 P HA 0.064 nan 4.420 nan 0.000 0.258 156 P C 0.649 178.016 177.300 0.112 0.000 1.187 156 P CA 2.066 65.258 63.100 0.153 0.000 0.767 156 P CB 0.062 31.827 31.700 0.108 0.000 0.770 157 G N 3.025 111.884 108.800 0.099 0.000 2.195 157 G HA2 -0.255 3.705 3.960 -0.001 0.000 0.246 157 G HA3 -0.255 3.705 3.960 -0.001 0.000 0.246 157 G C -0.053 174.884 174.900 0.063 0.000 0.984 157 G CA -0.226 44.913 45.100 0.066 0.000 0.633 157 G HN 0.543 nan 8.290 nan 0.000 0.525 158 K N 0.750 121.197 120.400 0.078 0.000 2.646 158 K HA 0.472 4.792 4.320 -0.001 0.000 0.210 158 K C -0.734 175.874 176.600 0.014 0.000 1.020 158 K CA -0.445 55.880 56.287 0.063 0.000 1.040 158 K CB 1.871 34.425 32.500 0.090 0.000 1.253 158 K HN 0.320 nan 8.250 nan 0.000 0.532 159 E N 4.204 124.409 120.200 0.009 0.000 2.151 159 E HA 0.196 4.546 4.350 -0.001 0.000 0.275 159 E C 0.423 177.022 176.600 -0.003 0.000 0.936 159 E CA -0.540 55.832 56.400 -0.047 0.000 0.777 159 E CB 0.816 30.560 29.700 0.074 0.000 1.108 159 E HN 0.320 nan 8.360 nan 0.000 0.401 160 I N 3.882 124.414 120.570 -0.062 0.000 2.270 160 I HA 0.003 4.172 4.170 -0.001 0.000 0.239 160 I C 0.645 176.878 176.117 0.192 0.000 1.080 160 I CA 1.187 62.493 61.300 0.009 0.000 1.383 160 I CB -0.857 37.063 38.000 -0.132 0.000 1.097 160 I HN 0.574 nan 8.210 nan 0.000 0.420 161 Y N -3.343 117.025 120.300 0.113 0.000 2.638 161 Y HA 0.402 4.951 4.550 -0.001 0.000 0.334 161 Y C -0.914 175.215 175.900 0.382 0.000 1.182 161 Y CA -1.651 56.579 58.100 0.216 0.000 1.102 161 Y CB 0.475 39.077 38.460 0.237 0.000 1.343 161 Y HN 0.057 nan 8.280 nan 0.000 0.463 162 W N 3.175 124.688 121.300 0.355 0.000 3.400 162 W HA 0.376 5.035 4.660 -0.001 0.000 0.555 162 W C 0.579 177.211 176.519 0.189 0.000 1.341 162 W CA -0.748 56.745 57.345 0.248 0.000 0.877 162 W CB 1.306 30.865 29.460 0.166 0.000 2.866 162 W HN 0.663 nan 8.180 nan 0.000 0.698 163 K N 0.539 120.639 120.400 -0.500 0.000 2.020 163 K HA -0.244 4.075 4.320 -0.001 0.000 0.212 163 K C 1.458 177.833 176.600 -0.376 0.000 1.050 163 K CA 2.032 57.798 56.287 -0.869 0.000 0.929 163 K CB -0.611 30.937 32.500 -1.585 0.000 0.714 163 K HN 0.240 nan 8.250 nan 0.000 0.443 164 N N 1.191 119.742 118.700 -0.247 0.000 2.036 164 N HA -0.184 4.556 4.740 -0.001 0.000 0.195 164 N C 1.773 177.131 175.510 -0.254 0.000 1.037 164 N CA 1.626 54.572 53.050 -0.174 0.000 0.855 164 N CB -0.236 38.221 38.487 -0.050 0.000 1.033 164 N HN 0.249 nan 8.380 nan 0.000 0.423 165 E N -0.097 120.008 120.200 -0.158 0.000 2.110 165 E HA -0.057 4.292 4.350 -0.001 0.000 0.193 165 E C 1.999 178.398 176.600 -0.334 0.000 0.988 165 E CA 1.030 57.212 56.400 -0.363 0.000 0.804 165 E CB -0.479 29.037 29.700 -0.307 0.000 0.745 165 E HN 0.320 nan 8.360 nan 0.000 0.458 166 T N 0.197 114.782 114.554 0.052 0.000 2.643 166 T HA -0.121 4.228 4.350 -0.001 0.000 0.264 166 T C 2.022 176.786 174.700 0.106 0.000 1.045 166 T CA 1.451 63.744 62.100 0.321 0.000 1.155 166 T CB -0.401 68.712 68.868 0.407 0.000 0.863 166 T HN -0.020 nan 8.240 nan 0.000 0.420 167 V N 1.868 121.684 119.914 -0.164 0.000 2.407 167 V HA -0.170 3.950 4.120 -0.001 0.000 0.248 167 V C 2.881 178.550 176.094 -0.707 0.000 1.055 167 V CA 1.635 63.686 62.300 -0.415 0.000 1.049 167 V CB -1.293 30.178 31.823 -0.586 0.000 0.662 167 V HN 0.533 nan 8.190 nan 0.000 0.455 168 A N -0.916 121.231 122.820 -1.123 0.000 1.902 168 A HA -0.226 4.093 4.320 -0.001 0.000 0.217 168 A C 2.093 179.429 177.584 -0.414 0.000 1.181 168 A CA 1.863 53.145 52.037 -1.258 0.000 0.623 168 A CB -0.757 17.636 19.000 -1.011 0.000 0.818 168 A HN 0.523 nan 8.150 nan 0.000 0.443 169 Y N -0.665 119.513 120.300 -0.203 0.000 2.128 169 Y HA -0.274 4.275 4.550 -0.000 0.000 0.284 169 Y C 3.005 178.949 175.900 0.074 0.000 1.154 169 Y CA 0.739 58.813 58.100 -0.044 0.000 1.149 169 Y CB -1.308 37.151 38.460 -0.002 0.000 0.976 169 Y HN 0.494 nan 8.280 nan 0.000 0.505 170 C N -0.401 119.120 119.300 0.368 0.000 2.429 170 C HA -0.199 4.261 4.460 -0.001 0.000 0.277 170 C C 2.735 177.930 174.990 0.341 0.000 1.262 170 C CA 2.076 61.372 59.018 0.462 0.000 1.733 170 C CB -1.264 26.764 27.740 0.479 0.000 2.010 170 C HN 0.612 nan 8.230 nan 0.000 0.483 171 T N 0.152 114.864 114.554 0.263 0.000 2.674 171 T HA -0.204 4.146 4.350 -0.001 0.000 0.265 171 T C 1.728 176.580 174.700 0.254 0.000 1.039 171 T CA 1.887 64.176 62.100 0.316 0.000 1.150 171 T CB -0.519 68.584 68.868 0.392 0.000 0.864 171 T HN 0.776 nan 8.240 nan 0.000 0.427 172 E N 0.603 120.928 120.200 0.208 0.000 2.049 172 E HA -0.196 4.153 4.350 -0.001 0.000 0.198 172 E C 2.246 178.972 176.600 0.211 0.000 1.007 172 E CA 1.291 57.821 56.400 0.218 0.000 0.809 172 E CB -0.263 29.570 29.700 0.221 0.000 0.749 172 E HN 0.323 nan 8.360 nan 0.000 0.450 173 L N 0.582 121.846 121.223 0.068 0.000 2.012 173 L HA -0.194 4.145 4.340 -0.001 0.000 0.210 173 L C 2.278 179.090 176.870 -0.097 0.000 1.073 173 L CA 1.456 56.057 54.840 -0.398 0.000 0.748 173 L CB -0.607 40.952 42.059 -0.832 0.000 0.891 173 L HN 0.230 nan 8.230 nan 0.000 0.431 174 L N 0.174 121.451 121.223 0.090 0.000 1.970 174 L HA -0.248 4.092 4.340 -0.001 0.000 0.212 174 L C 2.328 179.272 176.870 0.125 0.000 1.071 174 L CA 2.228 57.159 54.840 0.152 0.000 0.751 174 L CB -1.481 40.718 42.059 0.232 0.000 0.889 174 L HN 0.459 nan 8.230 nan 0.000 0.432 175 N N -0.844 117.952 118.700 0.160 0.000 2.061 175 N HA -0.269 4.470 4.740 -0.001 0.000 0.193 175 N C 1.701 177.287 175.510 0.127 0.000 1.030 175 N CA 1.383 54.525 53.050 0.154 0.000 0.856 175 N CB -0.198 38.392 38.487 0.171 0.000 1.023 175 N HN 0.434 nan 8.380 nan 0.000 0.424 176 E N 0.596 120.877 120.200 0.134 0.000 2.333 176 E HA -0.117 4.233 4.350 -0.001 0.000 0.198 176 E C 1.446 178.110 176.600 0.107 0.000 1.007 176 E CA 0.546 57.040 56.400 0.156 0.000 0.845 176 E CB 0.109 29.968 29.700 0.265 0.000 0.766 176 E HN 0.416 nan 8.360 nan 0.000 0.507 177 L N -1.571 119.642 121.223 -0.016 0.000 2.477 177 L HA 0.199 4.539 4.340 -0.001 0.000 0.220 177 L C 1.446 178.333 176.870 0.029 0.000 1.106 177 L CA 0.599 55.323 54.840 -0.192 0.000 0.851 177 L CB 0.643 42.224 42.059 -0.797 0.000 0.994 177 L HN 0.310 nan 8.230 nan 0.000 0.462 178 G N -0.443 108.432 108.800 0.125 0.000 2.234 178 G HA2 -0.148 3.811 3.960 -0.001 0.000 0.153 178 G HA3 -0.148 3.811 3.960 -0.001 0.000 0.153 178 G C -0.195 174.813 174.900 0.181 0.000 1.013 178 G CA -0.469 44.735 45.100 0.174 0.000 0.712 178 G HN -0.020 nan 8.290 nan 0.000 0.491 179 V N 2.740 122.771 119.914 0.194 0.000 2.357 179 V HA 0.479 4.599 4.120 -0.001 0.000 0.284 179 V C 0.631 176.808 176.094 0.137 0.000 1.018 179 V CA -0.703 61.689 62.300 0.153 0.000 0.841 179 V CB 1.480 33.407 31.823 0.173 0.000 0.991 179 V HN 0.524 nan 8.190 nan 0.000 0.437 180 K N 5.194 125.658 120.400 0.107 0.000 2.237 180 K HA 0.339 4.659 4.320 -0.001 0.000 0.270 180 K C 1.129 177.810 176.600 0.135 0.000 1.015 180 K CA -0.748 55.605 56.287 0.109 0.000 0.949 180 K CB 0.914 33.457 32.500 0.070 0.000 0.976 180 K HN 0.449 nan 8.250 nan 0.000 0.472 181 K N 2.015 122.523 120.400 0.179 0.000 2.228 181 K HA -0.238 4.081 4.320 -0.001 0.000 0.205 181 K C 0.804 177.467 176.600 0.104 0.000 1.045 181 K CA 1.736 58.189 56.287 0.277 0.000 0.931 181 K CB -0.372 32.322 32.500 0.323 0.000 0.727 181 K HN 0.741 nan 8.250 nan 0.000 0.458 182 E N 1.069 121.277 120.200 0.013 0.000 2.268 182 E HA -0.093 4.257 4.350 -0.001 0.000 0.195 182 E C 0.736 177.349 176.600 0.021 0.000 0.995 182 E CA 1.076 57.456 56.400 -0.034 0.000 0.836 182 E CB 0.009 29.692 29.700 -0.028 0.000 0.763 182 E HN 0.387 nan 8.360 nan 0.000 0.491 183 D N -0.628 119.804 120.400 0.054 0.000 2.395 183 D HA 0.134 4.773 4.640 -0.001 0.000 0.213 183 D C -0.138 176.190 176.300 0.048 0.000 1.110 183 D CA 0.053 54.077 54.000 0.041 0.000 0.835 183 D CB 0.637 41.448 40.800 0.019 0.000 0.965 183 D HN 0.173 nan 8.370 nan 0.000 0.505 184 I N 1.436 122.075 120.570 0.115 0.000 2.339 184 I HA 0.206 4.376 4.170 -0.001 0.000 0.290 184 I C -0.189 175.993 176.117 0.110 0.000 0.994 184 I CA -0.722 60.611 61.300 0.056 0.000 1.191 184 I CB 2.145 40.205 38.000 0.100 0.000 1.343 184 I HN -0.408 nan 8.210 nan 0.000 0.458 185 V N 6.953 126.846 119.914 -0.036 0.000 2.513 185 V HA 0.310 4.429 4.120 -0.001 0.000 0.299 185 V C -0.914 175.146 176.094 -0.056 0.000 1.035 185 V CA -0.593 61.779 62.300 0.120 0.000 0.889 185 V CB 1.567 33.465 31.823 0.126 0.000 0.988 185 V HN 0.441 nan 8.190 nan 0.000 0.440 186 Y N 3.673 124.181 120.300 0.346 0.000 2.587 186 Y HA 0.407 4.957 4.550 -0.001 0.000 0.328 186 Y C 0.415 176.514 175.900 0.332 0.000 0.980 186 Y CA -0.441 57.804 58.100 0.242 0.000 1.272 186 Y CB 1.276 39.808 38.460 0.120 0.000 1.094 186 Y HN 0.519 nan 8.280 nan 0.000 0.503 187 K N 3.041 123.650 120.400 0.349 0.000 2.249 187 K HA 0.234 4.553 4.320 -0.001 0.000 0.280 187 K C -0.550 176.183 176.600 0.221 0.000 1.033 187 K CA -0.385 56.078 56.287 0.294 0.000 0.946 187 K CB 0.716 33.312 32.500 0.160 0.000 1.005 187 K HN 0.588 nan 8.250 nan 0.000 0.469 188 E N 3.305 123.588 120.200 0.138 0.000 2.259 188 E HA 0.158 4.508 4.350 -0.001 0.000 0.281 188 E C -0.683 175.964 176.600 0.079 0.000 1.027 188 E CA -0.392 55.983 56.400 -0.042 0.000 0.838 188 E CB 1.299 30.674 29.700 -0.543 0.000 1.066 188 E HN 0.463 nan 8.360 nan 0.000 0.401 189 E N 2.287 122.598 120.200 0.185 0.000 2.407 189 E HA 0.344 4.693 4.350 -0.001 0.000 0.279 189 E C -2.701 174.029 176.600 0.216 0.000 1.012 189 E CA -1.994 54.509 56.400 0.172 0.000 0.800 189 E CB 2.143 31.930 29.700 0.145 0.000 1.276 189 E HN 0.231 nan 8.360 nan 0.000 0.452 190 P HA 0.362 nan 4.420 nan 0.000 0.287 190 P C -1.195 176.186 177.300 0.135 0.000 1.270 190 P CA -0.411 62.765 63.100 0.128 0.000 0.844 190 P CB 0.820 32.557 31.700 0.062 0.000 1.068 191 W N 2.225 123.493 121.300 -0.053 0.000 2.839 191 W HA 0.684 5.344 4.660 -0.001 0.000 0.334 191 W C -1.534 174.914 176.519 -0.117 0.000 1.064 191 W CA -0.187 57.120 57.345 -0.062 0.000 1.236 191 W CB 1.484 30.906 29.460 -0.063 0.000 1.405 191 W HN 0.480 nan 8.180 nan 0.000 0.478 192 A N 3.439 125.697 122.820 -0.936 0.000 2.515 192 A HA 1.001 5.321 4.320 -0.001 0.000 0.296 192 A C -0.461 176.374 177.584 -1.247 0.000 1.094 192 A CA -0.366 51.193 52.037 -0.796 0.000 0.718 192 A CB 1.656 20.369 19.000 -0.479 0.000 1.307 192 A HN 1.518 nan 8.150 nan 0.000 0.408 193 G N -1.274 107.176 108.800 -0.583 0.000 2.308 193 G HA2 0.568 4.527 3.960 -0.001 0.000 0.288 193 G HA3 0.568 4.527 3.960 -0.001 0.000 0.288 193 G C 0.637 175.568 174.900 0.052 0.000 1.722 193 G CA 0.856 45.752 45.100 -0.340 0.000 0.924 193 G HN 2.477 nan 8.290 nan 0.000 0.732 194 G N -0.507 108.330 108.800 0.061 0.000 2.168 194 G HA2 0.322 4.281 3.960 -0.001 0.000 0.263 194 G HA3 0.322 4.281 3.960 -0.001 0.000 0.263 194 G C 1.899 176.854 174.900 0.091 0.000 0.977 194 G CA 1.464 46.618 45.100 0.090 0.000 0.659 194 G HN 2.969 nan 8.290 nan 0.000 0.533 195 G N -1.924 106.947 108.800 0.118 0.000 2.168 195 G HA2 -0.113 3.846 3.960 -0.001 0.000 0.197 195 G HA3 -0.113 3.846 3.960 -0.001 0.000 0.197 195 G C -0.149 174.915 174.900 0.273 0.000 0.997 195 G CA 0.553 45.737 45.100 0.140 0.000 0.658 195 G HN 1.313 nan 8.290 nan 0.000 0.513 196 N N -0.368 118.512 118.700 0.301 0.000 2.571 196 N HA 0.901 5.641 4.740 -0.001 0.000 0.273 196 N C -0.118 175.436 175.510 0.073 0.000 1.340 196 N CA 0.156 53.367 53.050 0.269 0.000 0.789 196 N CB 2.080 40.704 38.487 0.229 0.000 1.514 196 N HN 0.987 nan 8.380 nan 0.000 0.499 197 A N -0.457 122.321 122.820 -0.070 0.000 2.493 197 A HA 0.974 5.294 4.320 -0.001 0.000 0.300 197 A C -1.177 176.382 177.584 -0.041 0.000 1.152 197 A CA -0.128 51.774 52.037 -0.225 0.000 0.643 197 A CB 1.120 19.529 19.000 -0.985 0.000 1.316 197 A HN 0.937 nan 8.150 nan 0.000 0.469 198 G N -0.983 107.806 108.800 -0.017 0.000 2.325 198 G HA2 0.558 4.518 3.960 -0.001 0.000 0.297 198 G HA3 0.558 4.518 3.960 -0.001 0.000 0.297 198 G C -3.568 171.359 174.900 0.044 0.000 1.448 198 G CA -0.169 44.957 45.100 0.043 0.000 0.838 198 G HN 0.725 nan 8.290 nan 0.000 0.579 199 P HA 0.470 nan 4.420 nan 0.000 0.275 199 P C 0.178 177.462 177.300 -0.027 0.000 1.228 199 P CA -0.022 63.090 63.100 0.019 0.000 0.786 199 P CB 1.271 32.848 31.700 -0.205 0.000 0.927 200 C N 2.874 122.231 119.300 0.096 0.000 3.154 200 C HA 0.745 5.204 4.460 -0.001 0.000 0.312 200 C C -1.591 173.493 174.990 0.156 0.000 1.349 200 C CA -0.867 58.097 59.018 -0.091 0.000 1.518 200 C CB 1.001 28.700 27.740 -0.069 0.000 1.934 200 C HN 0.374 nan 8.230 nan 0.000 0.462 201 L N 2.288 123.512 121.223 0.001 0.000 2.356 201 L HA 0.557 4.896 4.340 -0.001 0.000 0.277 201 L C -0.055 176.885 176.870 0.117 0.000 0.996 201 L CA 0.126 55.062 54.840 0.159 0.000 0.822 201 L CB 1.530 43.689 42.059 0.166 0.000 1.256 201 L HN 0.883 nan 8.230 nan 0.000 0.413 202 E N 2.240 122.532 120.200 0.153 0.000 2.174 202 E HA 0.532 4.881 4.350 -0.001 0.000 0.282 202 E C -0.353 176.288 176.600 0.069 0.000 0.992 202 E CA -0.660 55.785 56.400 0.075 0.000 0.803 202 E CB 1.873 31.610 29.700 0.061 0.000 1.090 202 E HN 0.627 nan 8.360 nan 0.000 0.396 203 A N 5.025 127.833 122.820 -0.021 0.000 2.343 203 A HA 0.322 4.641 4.320 -0.001 0.000 0.305 203 A C -0.168 177.314 177.584 -0.171 0.000 1.308 203 A CA -0.339 51.588 52.037 -0.184 0.000 0.949 203 A CB -0.317 18.620 19.000 -0.105 0.000 1.148 203 A HN 0.608 nan 8.150 nan 0.000 0.545 204 I N 3.413 123.871 120.570 -0.186 0.000 2.355 204 I HA 0.402 4.571 4.170 -0.001 0.000 0.288 204 I C -0.484 175.546 176.117 -0.145 0.000 0.999 204 I CA -0.615 60.605 61.300 -0.133 0.000 1.163 204 I CB 1.703 39.655 38.000 -0.081 0.000 1.316 204 I HN 0.369 nan 8.210 nan 0.000 0.454 205 V N 6.073 125.882 119.914 -0.174 0.000 2.638 205 V HA 0.725 4.845 4.120 -0.001 0.000 0.306 205 V C 0.628 176.611 176.094 -0.185 0.000 1.052 205 V CA 0.251 62.442 62.300 -0.181 0.000 0.885 205 V CB 1.514 33.196 31.823 -0.234 0.000 0.999 205 V HN 0.979 nan 8.190 nan 0.000 0.424 206 G N 4.332 113.079 108.800 -0.088 0.000 2.198 206 G HA2 0.036 3.996 3.960 -0.001 0.000 0.260 206 G HA3 0.036 3.996 3.960 -0.001 0.000 0.260 206 G C 1.408 176.395 174.900 0.146 0.000 1.025 206 G CA 0.833 45.956 45.100 0.038 0.000 0.769 206 G HN 2.660 nan 8.290 nan 0.000 0.507 207 G N -2.332 106.497 108.800 0.048 0.000 2.148 207 G HA2 0.035 3.995 3.960 -0.001 0.000 0.254 207 G HA3 0.035 3.995 3.960 -0.001 0.000 0.254 207 G C 0.207 175.211 174.900 0.173 0.000 0.981 207 G CA 0.821 45.957 45.100 0.061 0.000 0.670 207 G HN 1.947 nan 8.290 nan 0.000 0.528 208 L N 0.017 121.303 121.223 0.105 0.000 2.386 208 L HA 0.756 5.096 4.340 -0.001 0.000 0.271 208 L C -0.052 176.775 176.870 -0.071 0.000 0.993 208 L CA -1.145 53.734 54.840 0.065 0.000 0.819 208 L CB 1.814 43.819 42.059 -0.091 0.000 1.294 208 L HN 0.203 nan 8.230 nan 0.000 0.414 209 E N 3.281 123.454 120.200 -0.045 0.000 2.105 209 E HA 0.261 4.611 4.350 -0.001 0.000 0.285 209 E C 0.225 176.761 176.600 -0.108 0.000 1.055 209 E CA -0.165 56.191 56.400 -0.073 0.000 0.843 209 E CB 1.065 30.744 29.700 -0.036 0.000 1.067 209 E HN 0.665 nan 8.360 nan 0.000 0.398 210 V N 1.573 121.407 119.914 -0.134 0.000 3.565 210 V HA 0.545 4.664 4.120 -0.001 0.000 0.260 210 V C 0.457 176.592 176.094 0.069 0.000 1.231 210 V CA 0.542 62.786 62.300 -0.093 0.000 1.100 210 V CB -0.047 31.573 31.823 -0.339 0.000 0.807 210 V HN 0.551 nan 8.190 nan 0.000 0.454 211 A N -0.864 121.918 122.820 -0.063 0.000 2.601 211 A HA 0.763 5.082 4.320 -0.001 0.000 0.291 211 A C -0.594 176.842 177.584 -0.246 0.000 1.075 211 A CA -0.177 51.718 52.037 -0.238 0.000 0.671 211 A CB 1.405 20.024 19.000 -0.634 0.000 1.277 211 A HN 0.142 nan 8.150 nan 0.000 0.417 212 T N 1.180 115.536 114.554 -0.329 0.000 2.916 212 T HA 0.621 4.971 4.350 -0.001 0.000 0.298 212 T C -1.110 173.373 174.700 -0.362 0.000 1.031 212 T CA -0.287 61.655 62.100 -0.263 0.000 0.993 212 T CB 0.929 69.659 68.868 -0.230 0.000 1.045 212 T HN 0.524 nan 8.240 nan 0.000 0.454 213 L N 3.054 124.077 121.223 -0.332 0.000 2.342 213 L HA 0.668 5.007 4.340 -0.001 0.000 0.276 213 L C -0.684 175.742 176.870 -0.741 0.000 0.997 213 L CA -1.067 53.498 54.840 -0.460 0.000 0.838 213 L CB 1.463 43.322 42.059 -0.333 0.000 1.224 213 L HN 0.315 nan 8.230 nan 0.000 0.416 214 V N 2.653 122.147 119.914 -0.699 0.000 2.435 214 V HA 0.500 4.619 4.120 -0.001 0.000 0.290 214 V C -0.080 175.601 176.094 -0.688 0.000 1.030 214 V CA -0.467 61.429 62.300 -0.673 0.000 0.881 214 V CB 1.448 33.057 31.823 -0.357 0.000 0.983 214 V HN 0.350 nan 8.190 nan 0.000 0.445 218 L N 1.325 122.631 121.223 0.138 0.000 2.362 218 L HA 0.637 4.976 4.340 -0.001 0.000 0.271 218 L C -0.427 176.571 176.870 0.213 0.000 1.002 218 L CA -0.744 54.183 54.840 0.145 0.000 0.818 218 L CB 2.191 44.291 42.059 0.068 0.000 1.298 218 L HN 0.203 nan 8.230 nan 0.000 0.420 219 E N 1.310 121.684 120.200 0.291 0.000 2.272 219 E HA 0.307 4.657 4.350 -0.001 0.000 0.269 219 E C -1.157 175.645 176.600 0.337 0.000 0.877 219 E CA -0.905 55.685 56.400 0.317 0.000 0.755 219 E CB 2.274 32.088 29.700 0.190 0.000 1.192 219 E HN 0.544 nan 8.360 nan 0.000 0.422 220 E N 3.140 123.481 120.200 0.235 0.000 2.415 220 E HA -0.073 4.276 4.350 -0.001 0.000 0.260 220 E C -1.038 175.540 176.600 -0.037 0.000 1.016 220 E CA 0.237 56.506 56.400 -0.218 0.000 0.924 220 E CB 0.457 29.962 29.700 -0.324 0.000 0.961 220 E HN 0.494 nan 8.360 nan 0.000 0.459 221 H N 4.229 123.206 119.070 -0.155 0.000 2.974 221 H HA 0.208 4.764 4.556 -0.001 0.000 0.366 221 H C -2.324 172.949 175.328 -0.091 0.000 1.155 221 H CA -1.934 54.065 56.048 -0.082 0.000 1.186 221 H CB 2.064 31.811 29.762 -0.025 0.000 1.799 221 H HN 0.341 nan 8.280 nan 0.000 0.541 222 P HA -0.177 nan 4.420 nan 0.000 0.217 222 P C 0.154 177.503 177.300 0.082 0.000 1.162 222 P CA 1.630 64.644 63.100 -0.143 0.000 0.901 222 P CB 0.260 31.810 31.700 -0.250 0.000 0.793 223 E N -0.240 120.177 120.200 0.361 0.000 2.322 223 E HA 0.197 4.546 4.350 -0.001 0.000 0.195 223 E C 0.994 177.677 176.600 0.138 0.000 1.198 223 E CA -0.434 56.094 56.400 0.215 0.000 1.132 223 E CB -0.793 29.014 29.700 0.178 0.000 1.213 223 E HN 0.186 nan 8.360 nan 0.000 0.450 224 G N 0.961 109.836 108.800 0.124 0.000 2.583 224 G HA2 -0.192 3.768 3.960 -0.001 0.000 0.230 224 G HA3 -0.192 3.768 3.960 -0.001 0.000 0.230 224 G C 0.250 175.184 174.900 0.057 0.000 1.249 224 G CA 0.085 45.226 45.100 0.068 0.000 0.857 224 G HN 0.260 nan 8.290 nan 0.000 0.569 225 D N -0.661 119.782 120.400 0.072 0.000 2.531 225 D HA 0.018 4.657 4.640 -0.001 0.000 0.263 225 D C 0.850 177.199 176.300 0.081 0.000 1.057 225 D CA -0.102 53.935 54.000 0.063 0.000 0.909 225 D CB 0.201 41.032 40.800 0.052 0.000 1.236 225 D HN 0.188 nan 8.370 nan 0.000 0.494 226 I N 1.761 122.406 120.570 0.125 0.000 2.428 226 I HA 0.343 4.512 4.170 -0.001 0.000 0.296 226 I C 0.006 176.232 176.117 0.181 0.000 0.985 226 I CA -0.743 60.641 61.300 0.140 0.000 1.260 226 I CB 1.117 39.205 38.000 0.146 0.000 1.389 226 I HN 0.046 nan 8.210 nan 0.000 0.484 227 E N 6.597 126.876 120.200 0.131 0.000 2.109 227 E HA 0.589 4.939 4.350 -0.001 0.000 0.278 227 E C -1.310 175.368 176.600 0.130 0.000 0.954 227 E CA -0.203 56.271 56.400 0.124 0.000 0.779 227 E CB 0.731 30.473 29.700 0.071 0.000 1.093 227 E HN 0.505 nan 8.360 nan 0.000 0.401 228 I N 5.449 126.131 120.570 0.187 0.000 2.560 228 I HA 0.227 4.397 4.170 -0.001 0.000 0.278 228 I C -0.650 175.529 176.117 0.104 0.000 1.089 228 I CA -0.920 60.451 61.300 0.119 0.000 1.086 228 I CB 1.355 39.373 38.000 0.031 0.000 1.202 228 I HN 0.492 nan 8.210 nan 0.000 0.471 229 K N 4.328 124.755 120.400 0.045 0.000 3.162 229 K HA -0.205 4.114 4.320 -0.001 0.000 0.268 229 K C 0.820 177.432 176.600 0.020 0.000 1.062 229 K CA 0.900 57.197 56.287 0.017 0.000 0.769 229 K CB -1.597 30.892 32.500 -0.018 0.000 1.274 229 K HN 1.247 nan 8.250 nan 0.000 0.478 230 G N -1.836 106.978 108.800 0.024 0.000 2.299 230 G HA2 -0.288 3.672 3.960 -0.001 0.000 0.237 230 G HA3 -0.288 3.672 3.960 -0.001 0.000 0.237 230 G C 0.286 175.178 174.900 -0.013 0.000 1.027 230 G CA 0.512 45.614 45.100 0.002 0.000 0.619 230 G HN 1.109 nan 8.290 nan 0.000 0.513 231 A N 0.409 123.231 122.820 0.004 0.000 2.282 231 A HA 0.852 5.172 4.320 -0.001 0.000 0.319 231 A C 0.324 177.834 177.584 -0.123 0.000 1.121 231 A CA -0.407 51.564 52.037 -0.110 0.000 0.836 231 A CB 0.809 19.686 19.000 -0.205 0.000 1.146 231 A HN 0.298 nan 8.150 nan 0.000 0.494 232 R N 0.158 120.486 120.500 -0.286 0.000 2.393 232 R HA 0.531 4.870 4.340 -0.001 0.000 0.310 232 R C -1.837 174.236 176.300 -0.378 0.000 0.968 232 R CA -0.054 55.943 56.100 -0.172 0.000 0.867 232 R CB 1.074 31.325 30.300 -0.083 0.000 1.124 232 R HN 0.716 nan 8.270 nan 0.000 0.450 233 Y N 1.339 121.665 120.300 0.042 0.000 2.512 233 Y HA 0.467 5.017 4.550 -0.001 0.000 0.348 233 Y C 0.496 176.426 175.900 0.050 0.000 0.990 233 Y CA -1.105 57.028 58.100 0.055 0.000 1.033 233 Y CB 1.830 40.320 38.460 0.049 0.000 1.259 233 Y HN 0.454 nan 8.280 nan 0.000 0.461 234 R N 0.654 121.272 120.500 0.196 0.000 2.873 234 R HA 0.672 5.012 4.340 -0.001 0.000 0.264 234 R C -0.893 175.470 176.300 0.104 0.000 1.026 234 R CA -1.295 54.862 56.100 0.095 0.000 1.002 234 R CB 1.844 32.135 30.300 -0.014 0.000 1.174 234 R HN 0.568 nan 8.270 nan 0.000 0.488 238 N N 0.145 118.896 118.700 0.084 0.000 2.476 238 N HA 0.446 5.186 4.740 -0.001 0.000 0.275 238 N C -0.848 174.688 175.510 0.044 0.000 1.190 238 N CA -0.038 53.010 53.050 -0.003 0.000 0.977 238 N CB 1.003 39.410 38.487 -0.135 0.000 1.200 238 N HN 0.239 nan 8.380 nan 0.000 0.515 239 Y N -1.857 118.239 120.300 -0.340 0.000 2.504 239 Y HA 0.738 5.288 4.550 -0.001 0.000 0.344 239 Y C -1.073 174.570 175.900 -0.428 0.000 1.023 239 Y CA -1.131 56.741 58.100 -0.380 0.000 1.020 239 Y CB 0.961 39.002 38.460 -0.697 0.000 1.282 239 Y HN 0.301 nan 8.280 nan 0.000 0.454 240 I N 2.560 123.077 120.570 -0.089 0.000 2.686 240 I HA 0.425 4.594 4.170 -0.001 0.000 0.295 240 I C -0.989 175.229 176.117 0.169 0.000 1.114 240 I CA -1.453 59.734 61.300 -0.189 0.000 1.038 240 I CB 2.476 40.283 38.000 -0.321 0.000 1.238 240 I HN 0.468 nan 8.210 nan 0.000 0.420 241 V N 3.603 123.539 119.914 0.037 0.000 2.427 241 V HA 0.105 4.225 4.120 -0.001 0.000 0.268 241 V C -0.445 175.612 176.094 -0.063 0.000 1.046 241 V CA 0.311 62.683 62.300 0.120 0.000 0.970 241 V CB 0.991 32.856 31.823 0.070 0.000 1.001 241 V HN 0.659 nan 8.190 nan 0.000 0.476 242 D N 4.048 124.398 120.400 -0.084 0.000 2.446 242 D HA 0.428 5.067 4.640 -0.001 0.000 0.251 242 D C 0.016 176.157 176.300 -0.265 0.000 1.137 242 D CA -0.247 53.702 54.000 -0.085 0.000 0.890 242 D CB 1.277 41.986 40.800 -0.152 0.000 1.071 242 D HN 0.646 nan 8.370 nan 0.000 0.528 243 T N 0.102 114.459 114.554 -0.329 0.000 2.950 243 T HA 0.888 5.238 4.350 -0.001 0.000 0.288 243 T C 0.268 174.796 174.700 -0.286 0.000 1.035 243 T CA -1.049 60.816 62.100 -0.393 0.000 1.028 243 T CB 1.986 70.551 68.868 -0.504 0.000 1.109 243 T HN 0.334 nan 8.240 nan 0.000 0.514 244 G N 0.842 109.493 108.800 -0.249 0.000 2.552 244 G HA2 0.519 4.478 3.960 -0.001 0.000 0.288 244 G HA3 0.519 4.478 3.960 -0.001 0.000 0.288 244 G C -1.957 172.877 174.900 -0.111 0.000 1.358 244 G CA -0.711 44.325 45.100 -0.107 0.000 1.305 244 G HN 0.585 nan 8.290 nan 0.000 0.602 245 Y N 1.070 121.273 120.300 -0.162 0.000 2.328 245 Y HA 0.567 5.117 4.550 -0.001 0.000 0.337 245 Y C 0.955 176.787 175.900 -0.114 0.000 0.966 245 Y CA -1.077 56.949 58.100 -0.123 0.000 1.136 245 Y CB 2.340 40.561 38.460 -0.398 0.000 1.170 245 Y HN 0.670 nan 8.280 nan 0.000 0.470 246 G N 3.522 112.437 108.800 0.191 0.000 2.389 246 G HA2 0.217 4.176 3.960 -0.001 0.000 0.287 246 G HA3 0.217 4.176 3.960 -0.001 0.000 0.287 246 G C 0.900 175.915 174.900 0.192 0.000 1.126 246 G CA -0.303 44.897 45.100 0.167 0.000 1.073 246 G HN 0.843 nan 8.290 nan 0.000 0.429 247 L N 2.910 124.178 121.223 0.074 0.000 1.997 247 L HA -0.153 4.186 4.340 -0.001 0.000 0.216 247 L C 2.467 179.410 176.870 0.123 0.000 1.074 247 L CA 2.348 57.208 54.840 0.033 0.000 0.763 247 L CB -0.389 41.674 42.059 0.005 0.000 0.890 247 L HN 0.532 nan 8.230 nan 0.000 0.434 248 E N -0.370 119.884 120.200 0.091 0.000 2.153 248 E HA -0.175 4.175 4.350 -0.001 0.000 0.194 248 E C 2.291 178.928 176.600 0.062 0.000 0.988 248 E CA 1.354 57.774 56.400 0.032 0.000 0.811 248 E CB -0.267 29.402 29.700 -0.051 0.000 0.746 248 E HN 0.482 nan 8.360 nan 0.000 0.466 249 R N -0.632 119.920 120.500 0.088 0.000 2.092 249 R HA -0.025 4.314 4.340 -0.001 0.000 0.231 249 R C 2.048 178.364 176.300 0.026 0.000 1.119 249 R CA 0.962 57.108 56.100 0.077 0.000 0.970 249 R CB -0.311 29.993 30.300 0.007 0.000 0.864 249 R HN 0.212 nan 8.270 nan 0.000 0.440 250 F N 0.228 120.184 119.950 0.010 0.000 2.113 250 F HA -0.210 4.317 4.527 -0.001 0.000 0.297 250 F C 2.427 178.308 175.800 0.135 0.000 1.103 250 F CA 1.076 59.149 58.000 0.122 0.000 1.248 250 F CB -0.221 38.818 39.000 0.066 0.000 0.999 250 F HN -0.227 nan 8.300 nan 0.000 0.475 251 V N -1.147 118.923 119.914 0.260 0.000 2.343 251 V HA -0.315 3.805 4.120 -0.001 0.000 0.247 251 V C 1.955 178.163 176.094 0.189 0.000 1.051 251 V CA 1.797 64.229 62.300 0.220 0.000 1.036 251 V CB -0.790 31.132 31.823 0.165 0.000 0.654 251 V HN 0.588 nan 8.190 nan 0.000 0.451 252 W N 1.374 122.609 121.300 -0.108 0.000 2.338 252 W HA -0.172 4.487 4.660 -0.001 0.000 0.304 252 W C 2.339 178.700 176.519 -0.263 0.000 1.212 252 W CA 1.571 58.813 57.345 -0.171 0.000 1.264 252 W CB -0.588 28.726 29.460 -0.243 0.000 1.142 252 W HN 0.203 nan 8.180 nan 0.000 0.512 253 A N -0.353 122.116 122.820 -0.585 0.000 2.209 253 A HA -0.015 4.305 4.320 -0.001 0.000 0.212 253 A C 2.035 179.194 177.584 -0.707 0.000 1.158 253 A CA 1.770 53.095 52.037 -1.186 0.000 0.742 253 A CB -0.970 17.090 19.000 -1.567 0.000 0.790 253 A HN 0.322 nan 8.150 nan 0.000 0.472 254 S N -1.488 114.114 115.700 -0.163 0.000 2.502 254 S HA 0.161 4.631 4.470 -0.001 0.000 0.215 254 S C 1.497 176.168 174.600 0.118 0.000 1.009 254 S CA 0.490 58.784 58.200 0.157 0.000 0.908 254 S CB 0.041 63.546 63.200 0.509 0.000 0.801 254 S HN 0.520 nan 8.310 nan 0.000 0.505 255 K N 0.180 120.633 120.400 0.089 0.000 2.350 255 K HA 0.328 4.648 4.320 -0.001 0.000 0.196 255 K C 1.187 177.846 176.600 0.098 0.000 1.084 255 K CA 0.505 56.859 56.287 0.111 0.000 0.967 255 K CB 0.175 32.766 32.500 0.151 0.000 0.950 255 K HN 0.437 nan 8.250 nan 0.000 0.512 256 G N 3.090 111.948 108.800 0.097 0.000 2.153 256 G HA2 -0.293 3.667 3.960 -0.001 0.000 0.252 256 G HA3 -0.293 3.667 3.960 -0.001 0.000 0.252 256 G C 0.310 175.297 174.900 0.144 0.000 0.994 256 G CA 0.699 45.861 45.100 0.104 0.000 0.698 256 G HN 0.413 nan 8.290 nan 0.000 0.521 257 T N -1.970 112.749 114.554 0.274 0.000 2.734 257 T HA 0.449 4.799 4.350 -0.001 0.000 0.314 257 T C -0.566 174.347 174.700 0.354 0.000 1.057 257 T CA -0.400 61.851 62.100 0.252 0.000 1.047 257 T CB 1.151 70.139 68.868 0.200 0.000 0.991 257 T HN -0.017 nan 8.240 nan 0.000 0.540 258 P HA 0.021 nan 4.420 nan 0.000 0.216 258 P C 0.704 178.122 177.300 0.196 0.000 1.150 258 P CA 1.219 64.427 63.100 0.181 0.000 0.837 258 P CB -0.072 31.702 31.700 0.124 0.000 0.786 259 T N -6.654 107.833 114.554 -0.112 0.000 2.841 259 T HA 0.294 4.644 4.350 -0.001 0.000 0.296 259 T C 0.617 174.272 174.700 -1.742 0.000 1.166 259 T CA -0.699 60.870 62.100 -0.884 0.000 1.007 259 T CB 1.352 69.756 68.868 -0.774 0.000 1.253 259 T HN -0.236 nan 8.240 nan 0.000 0.511 260 V N 0.590 118.955 119.914 -2.581 0.000 2.490 260 V HA -0.102 4.017 4.120 -0.001 0.000 0.250 260 V C 1.819 177.188 176.094 -1.207 0.000 1.061 260 V CA 1.609 62.792 62.300 -1.862 0.000 1.064 260 V CB -1.261 29.697 31.823 -1.443 0.000 0.670 260 V HN 0.866 nan 8.190 nan 0.000 0.461 261 Y N 0.482 120.286 120.300 -0.826 0.000 2.224 261 Y HA -0.116 4.433 4.550 -0.001 0.000 0.289 261 Y C 2.457 178.093 175.900 -0.441 0.000 1.146 261 Y CA 1.409 59.113 58.100 -0.660 0.000 1.182 261 Y CB -0.802 37.434 38.460 -0.374 0.000 0.983 261 Y HN 0.334 nan 8.280 nan 0.000 0.524 262 D N -0.397 119.872 120.400 -0.219 0.000 2.347 262 D HA 0.012 4.652 4.640 -0.001 0.000 0.215 262 D C 1.939 178.191 176.300 -0.080 0.000 0.976 262 D CA 1.035 55.011 54.000 -0.040 0.000 0.884 262 D CB 0.017 40.833 40.800 0.027 0.000 0.915 262 D HN 0.419 nan 8.370 nan 0.000 0.526 263 A N 0.732 123.421 122.820 -0.218 0.000 2.044 263 A HA 0.079 4.399 4.320 -0.001 0.000 0.213 263 A C 2.093 179.603 177.584 -0.123 0.000 1.169 263 A CA 0.145 52.120 52.037 -0.103 0.000 0.724 263 A CB -0.155 18.826 19.000 -0.032 0.000 0.840 263 A HN 0.313 nan 8.150 nan 0.000 0.463 264 I N -4.888 115.496 120.570 -0.309 0.000 3.939 264 I HA 0.382 4.551 4.170 -0.001 0.000 0.313 264 I C 0.294 176.346 176.117 -0.109 0.000 1.274 264 I CA -0.047 61.100 61.300 -0.255 0.000 1.301 264 I CB 0.442 38.220 38.000 -0.369 0.000 1.105 264 I HN 0.220 nan 8.210 nan 0.000 0.427 265 F N -1.487 118.521 119.950 0.097 0.000 2.599 265 F HA 0.583 5.110 4.527 -0.001 0.000 0.367 265 F C -2.560 173.286 175.800 0.075 0.000 1.517 265 F CA -1.637 56.423 58.000 0.100 0.000 1.090 265 F CB -0.247 38.856 39.000 0.172 0.000 1.758 265 F HN -0.260 nan 8.300 nan 0.000 0.550 266 P HA -0.153 nan 4.420 nan 0.000 0.216 266 P C 1.090 178.484 177.300 0.157 0.000 1.150 266 P CA 1.854 65.064 63.100 0.183 0.000 0.837 266 P CB 0.347 32.117 31.700 0.116 0.000 0.786 267 E N -0.563 119.709 120.200 0.121 0.000 2.058 267 E HA -0.143 4.207 4.350 -0.001 0.000 0.194 267 E C 2.036 178.648 176.600 0.020 0.000 0.997 267 E CA 1.207 57.642 56.400 0.058 0.000 0.801 267 E CB -1.336 28.383 29.700 0.032 0.000 0.746 267 E HN 0.014 nan 8.360 nan 0.000 0.450 268 V N 0.480 120.388 119.914 -0.009 0.000 2.287 268 V HA -0.257 3.862 4.120 -0.001 0.000 0.248 268 V C 2.270 178.351 176.094 -0.022 0.000 1.053 268 V CA 1.550 63.771 62.300 -0.132 0.000 1.027 268 V CB -0.541 31.023 31.823 -0.432 0.000 0.646 268 V HN 0.147 nan 8.190 nan 0.000 0.447 269 V N 0.297 120.290 119.914 0.131 0.000 2.332 269 V HA -0.268 3.852 4.120 -0.001 0.000 0.248 269 V C 2.306 178.447 176.094 0.078 0.000 1.055 269 V CA 2.261 64.653 62.300 0.154 0.000 1.038 269 V CB -0.706 31.307 31.823 0.317 0.000 0.651 269 V HN 0.589 nan 8.190 nan 0.000 0.450 270 D N -0.243 120.204 120.400 0.080 0.000 2.084 270 D HA -0.136 4.504 4.640 -0.001 0.000 0.194 270 D C 2.278 178.582 176.300 0.005 0.000 0.990 270 D CA 1.926 55.956 54.000 0.050 0.000 0.826 270 D CB -0.593 40.239 40.800 0.055 0.000 0.971 270 D HN 0.383 nan 8.370 nan 0.000 0.453 271 T N 1.540 116.087 114.554 -0.011 0.000 2.665 271 T HA -0.129 4.221 4.350 -0.001 0.000 0.268 271 T C 2.247 176.916 174.700 -0.052 0.000 1.035 271 T CA 0.718 62.797 62.100 -0.036 0.000 1.151 271 T CB -0.309 68.525 68.868 -0.055 0.000 0.862 271 T HN 0.154 nan 8.240 nan 0.000 0.438 272 I N 0.392 120.926 120.570 -0.060 0.000 2.127 272 I HA -0.175 3.995 4.170 -0.001 0.000 0.241 272 I C 2.327 178.393 176.117 -0.085 0.000 1.075 272 I CA 1.410 62.663 61.300 -0.077 0.000 1.334 272 I CB -0.412 37.538 38.000 -0.084 0.000 1.040 272 I HN 0.223 nan 8.210 nan 0.000 0.405 273 I N 0.737 121.261 120.570 -0.077 0.000 2.127 273 I HA -0.344 3.825 4.170 -0.001 0.000 0.241 273 I C 2.028 178.077 176.117 -0.113 0.000 1.075 273 I CA 1.611 62.844 61.300 -0.112 0.000 1.334 273 I CB -0.506 37.457 38.000 -0.063 0.000 1.040 273 I HN 0.241 nan 8.210 nan 0.000 0.405 274 D N 0.751 121.109 120.400 -0.069 0.000 2.265 274 D HA -0.150 4.489 4.640 -0.001 0.000 0.208 274 D C 0.738 176.999 176.300 -0.065 0.000 0.977 274 D CA 1.195 55.159 54.000 -0.060 0.000 0.871 274 D CB -0.457 40.323 40.800 -0.034 0.000 0.925 274 D HN 0.410 nan 8.370 nan 0.000 0.485 275 N N -0.669 117.990 118.700 -0.069 0.000 2.467 275 N HA 0.137 4.876 4.740 -0.001 0.000 0.278 275 N C -0.710 174.756 175.510 -0.074 0.000 1.306 275 N CA -0.266 52.746 53.050 -0.063 0.000 0.905 275 N CB 0.934 39.390 38.487 -0.052 0.000 1.236 275 N HN -0.022 nan 8.380 nan 0.000 0.509 276 S N -0.652 114.990 115.700 -0.096 0.000 2.851 276 S HA 0.352 4.821 4.470 -0.001 0.000 0.313 276 S C 0.037 174.568 174.600 -0.116 0.000 1.163 276 S CA -0.865 57.272 58.200 -0.104 0.000 0.850 276 S CB 0.731 63.856 63.200 -0.125 0.000 1.245 276 S HN 0.167 nan 8.310 nan 0.000 0.558 277 N N 0.002 118.634 118.700 -0.114 0.000 2.322 277 N HA 0.133 4.872 4.740 -0.001 0.000 0.216 277 N C -0.234 175.178 175.510 -0.163 0.000 1.144 277 N CA -0.348 52.635 53.050 -0.112 0.000 0.830 277 N CB -0.475 37.966 38.487 -0.077 0.000 1.034 277 N HN 0.361 nan 8.380 nan 0.000 0.484 278 V N 1.728 121.492 119.914 -0.252 0.000 2.584 278 V HA -0.099 4.021 4.120 -0.001 0.000 0.303 278 V C 1.518 177.367 176.094 -0.408 0.000 1.035 278 V CA 0.655 62.689 62.300 -0.443 0.000 1.172 278 V CB 0.336 31.724 31.823 -0.725 0.000 0.896 278 V HN 0.606 nan 8.190 nan 0.000 0.486 279 S N 4.903 120.418 115.700 -0.308 0.000 2.481 279 S HA 0.014 4.484 4.470 -0.001 0.000 0.231 279 S C 0.429 174.997 174.600 -0.054 0.000 0.996 279 S CA 0.225 58.352 58.200 -0.121 0.000 0.942 279 S CB -0.327 62.876 63.200 0.005 0.000 0.768 279 S HN 0.653 nan 8.310 nan 0.000 0.520 280 F N 0.388 120.326 119.950 -0.021 0.000 2.535 280 F HA 0.709 5.236 4.527 -0.001 0.000 0.367 280 F C -0.106 175.686 175.800 -0.014 0.000 1.096 280 F CA -1.667 56.324 58.000 -0.015 0.000 1.088 280 F CB 0.382 39.373 39.000 -0.015 0.000 1.387 280 F HN -0.100 nan 8.300 nan 0.000 0.494 281 N N 0.338 119.235 118.700 0.328 0.000 2.296 281 N HA 0.233 4.973 4.740 -0.001 0.000 0.294 281 N C -0.697 174.969 175.510 0.261 0.000 1.033 281 N CA -0.739 52.423 53.050 0.186 0.000 0.839 281 N CB 2.027 40.572 38.487 0.097 0.000 1.395 281 N HN 0.876 nan 8.380 nan 0.000 0.479 282 R N 1.898 122.518 120.500 0.200 0.000 4.054 282 R HA 0.194 4.534 4.340 -0.001 0.000 0.227 282 R C 0.015 176.378 176.300 0.104 0.000 1.902 282 R CA 0.410 56.614 56.100 0.174 0.000 1.590 282 R CB -0.089 30.302 30.300 0.151 0.000 1.245 282 R HN 0.590 nan 8.270 nan 0.000 0.647 283 E N -0.185 120.069 120.200 0.091 0.000 2.641 283 E HA -0.023 4.326 4.350 -0.001 0.000 0.201 283 E C -0.719 175.912 176.600 0.052 0.000 0.921 283 E CA -0.288 56.149 56.400 0.061 0.000 1.551 283 E CB 0.398 30.128 29.700 0.050 0.000 1.640 283 E HN 0.273 nan 8.360 nan 0.000 0.906 284 D N 2.192 122.629 120.400 0.060 0.000 2.487 284 D HA -0.098 4.541 4.640 -0.001 0.000 0.243 284 D C 1.043 177.360 176.300 0.028 0.000 1.154 284 D CA 0.529 54.556 54.000 0.045 0.000 0.876 284 D CB 1.025 41.858 40.800 0.055 0.000 1.161 284 D HN -0.013 nan 8.370 nan 0.000 0.478 285 E N 3.761 123.973 120.200 0.020 0.000 2.204 285 E HA -0.201 4.149 4.350 -0.001 0.000 0.194 285 E C 1.408 178.010 176.600 0.003 0.000 0.989 285 E CA 0.678 57.086 56.400 0.012 0.000 0.824 285 E CB 0.230 29.937 29.700 0.011 0.000 0.756 285 E HN 0.353 nan 8.360 nan 0.000 0.477 286 R N 0.102 120.604 120.500 0.003 0.000 2.070 286 R HA -0.081 4.258 4.340 -0.001 0.000 0.232 286 R C 2.517 178.801 176.300 -0.027 0.000 1.138 286 R CA 1.396 57.491 56.100 -0.007 0.000 0.936 286 R CB -0.955 29.345 30.300 0.000 0.000 0.839 286 R HN 0.055 nan 8.270 nan 0.000 0.429 287 V N 0.760 120.653 119.914 -0.035 0.000 2.332 287 V HA -0.265 3.855 4.120 -0.001 0.000 0.248 287 V C 2.456 178.491 176.094 -0.097 0.000 1.055 287 V CA 2.166 64.405 62.300 -0.102 0.000 1.038 287 V CB -0.571 31.181 31.823 -0.118 0.000 0.651 287 V HN 0.334 nan 8.190 nan 0.000 0.450 288 R N 0.016 120.490 120.500 -0.043 0.000 2.105 288 R HA -0.207 4.132 4.340 -0.001 0.000 0.239 288 R C 2.557 178.844 176.300 -0.021 0.000 1.135 288 R CA 1.941 58.029 56.100 -0.021 0.000 0.967 288 R CB -0.263 30.041 30.300 0.005 0.000 0.861 288 R HN 0.460 nan 8.270 nan 0.000 0.442 289 R N 0.304 120.790 120.500 -0.022 0.000 2.092 289 R HA -0.092 4.248 4.340 -0.001 0.000 0.231 289 R C 1.985 178.268 176.300 -0.027 0.000 1.119 289 R CA 1.276 57.364 56.100 -0.019 0.000 0.970 289 R CB -0.047 30.243 30.300 -0.016 0.000 0.864 289 R HN 0.195 nan 8.270 nan 0.000 0.440 290 I N 0.356 120.899 120.570 -0.045 0.000 2.163 290 I HA -0.180 3.989 4.170 -0.001 0.000 0.240 290 I C 2.416 178.506 176.117 -0.047 0.000 1.081 290 I CA 0.964 62.233 61.300 -0.052 0.000 1.353 290 I CB -1.328 36.625 38.000 -0.079 0.000 1.054 290 I HN 0.015 nan 8.210 nan 0.000 0.407 291 V N 1.858 121.734 119.914 -0.063 0.000 2.287 291 V HA -0.282 3.837 4.120 -0.001 0.000 0.248 291 V C 2.971 179.075 176.094 0.017 0.000 1.053 291 V CA 1.975 64.259 62.300 -0.028 0.000 1.027 291 V CB -1.349 30.454 31.823 -0.034 0.000 0.646 291 V HN 0.472 nan 8.190 nan 0.000 0.447 292 A N 0.165 122.991 122.820 0.009 0.000 1.859 292 A HA -0.307 4.012 4.320 -0.001 0.000 0.217 292 A C 2.227 179.816 177.584 0.007 0.000 1.198 292 A CA 2.309 54.356 52.037 0.016 0.000 0.629 292 A CB -0.651 18.351 19.000 0.004 0.000 0.830 292 A HN 0.552 nan 8.150 nan 0.000 0.446 293 E N -0.146 120.051 120.200 -0.006 0.000 2.153 293 E HA -0.122 4.228 4.350 -0.001 0.000 0.194 293 E C 2.140 178.737 176.600 -0.005 0.000 0.988 293 E CA 1.444 57.836 56.400 -0.013 0.000 0.811 293 E CB -0.342 29.347 29.700 -0.019 0.000 0.746 293 E HN 0.485 nan 8.360 nan 0.000 0.466 294 S N -1.190 114.515 115.700 0.008 0.000 2.395 294 S HA -0.034 4.436 4.470 -0.001 0.000 0.225 294 S C 1.973 176.609 174.600 0.060 0.000 1.027 294 S CA 1.101 59.315 58.200 0.023 0.000 0.965 294 S CB -0.292 62.922 63.200 0.022 0.000 0.812 294 S HN 0.310 nan 8.310 nan 0.000 0.482 295 S N 1.500 117.251 115.700 0.085 0.000 2.382 295 S HA -0.058 4.412 4.470 -0.001 0.000 0.228 295 S C 1.749 176.471 174.600 0.203 0.000 1.027 295 S CA 1.177 59.471 58.200 0.157 0.000 0.991 295 S CB -0.260 63.028 63.200 0.145 0.000 0.823 295 S HN 0.555 nan 8.310 nan 0.000 0.469 296 K N 0.775 121.225 120.400 0.082 0.000 2.147 296 K HA 0.027 4.346 4.320 -0.001 0.000 0.205 296 K C 1.444 177.977 176.600 -0.112 0.000 1.049 296 K CA 0.913 57.206 56.287 0.009 0.000 0.936 296 K CB -0.180 32.283 32.500 -0.062 0.000 0.722 296 K HN 0.325 nan 8.250 nan 0.000 0.446 297 L N -0.288 120.891 121.223 -0.072 0.000 2.607 297 L HA 0.172 4.511 4.340 -0.001 0.000 0.228 297 L C 2.114 178.928 176.870 -0.093 0.000 1.123 297 L CA -0.191 54.573 54.840 -0.126 0.000 0.890 297 L CB -0.049 41.968 42.059 -0.071 0.000 1.103 297 L HN 0.091 nan 8.230 nan 0.000 0.468 298 A N 0.947 123.783 122.820 0.026 0.000 1.958 298 A HA -0.216 4.104 4.320 -0.001 0.000 0.221 298 A C 2.349 179.995 177.584 0.103 0.000 1.178 298 A CA 2.057 54.174 52.037 0.134 0.000 0.642 298 A CB -1.086 18.090 19.000 0.293 0.000 0.816 298 A HN 0.441 nan 8.150 nan 0.000 0.453 299 G N -0.664 108.086 108.800 -0.082 0.000 2.448 299 G HA2 0.059 4.018 3.960 -0.001 0.000 0.219 299 G HA3 0.059 4.018 3.960 -0.001 0.000 0.219 299 G C 0.864 175.717 174.900 -0.079 0.000 1.127 299 G CA 0.805 45.849 45.100 -0.093 0.000 0.766 299 G HN 0.516 nan 8.290 nan 0.000 0.552 303 E N 0.656 120.891 120.200 0.058 0.000 2.394 303 E HA 0.414 4.763 4.350 -0.001 0.000 0.191 303 E C -0.252 176.365 176.600 0.027 0.000 1.044 303 E CA 0.064 56.492 56.400 0.045 0.000 0.939 303 E CB 0.454 30.186 29.700 0.053 0.000 1.089 303 E HN 0.339 nan 8.360 nan 0.000 0.456 304 L N 0.111 121.350 121.223 0.026 0.000 2.371 304 L HA 0.598 4.938 4.340 -0.001 0.000 0.262 304 L C -0.236 176.646 176.870 0.020 0.000 1.006 304 L CA -0.935 53.916 54.840 0.018 0.000 0.818 304 L CB 2.317 44.383 42.059 0.012 0.000 1.354 304 L HN -0.135 nan 8.230 nan 0.000 0.415 305 R N -0.009 120.501 120.500 0.016 0.000 2.698 305 R HA 0.689 5.029 4.340 -0.001 0.000 0.275 305 R C -0.091 176.217 176.300 0.013 0.000 1.001 305 R CA 0.107 56.218 56.100 0.017 0.000 0.896 305 R CB 2.302 32.613 30.300 0.018 0.000 1.218 305 R HN 0.873 nan 8.270 nan 0.000 0.462 306 G N 2.030 110.838 108.800 0.013 0.000 2.520 306 G HA2 -0.324 3.635 3.960 -0.001 0.000 0.248 306 G HA3 -0.324 3.635 3.960 -0.001 0.000 0.248 306 G C 0.571 175.476 174.900 0.009 0.000 1.161 306 G CA 0.311 45.417 45.100 0.010 0.000 0.946 306 G HN 0.662 nan 8.290 nan 0.000 0.565 307 E N 1.504 121.708 120.200 0.006 0.000 2.358 307 E HA -0.011 4.339 4.350 -0.001 0.000 0.195 307 E C 2.156 178.758 176.600 0.004 0.000 1.010 307 E CA 1.016 57.419 56.400 0.005 0.000 0.856 307 E CB -0.232 29.470 29.700 0.003 0.000 0.795 307 E HN 0.535 nan 8.360 nan 0.000 0.504 308 R N 1.223 121.726 120.500 0.005 0.000 2.151 308 R HA -0.101 4.239 4.340 -0.001 0.000 0.220 308 R C 2.447 178.749 176.300 0.003 0.000 1.120 308 R CA 1.631 57.733 56.100 0.004 0.000 0.882 308 R CB -1.204 29.099 30.300 0.006 0.000 0.806 308 R HN 0.350 nan 8.270 nan 0.000 0.440 309 L N 1.224 122.451 121.223 0.007 0.000 2.456 309 L HA -0.054 4.286 4.340 -0.001 0.000 0.224 309 L C 1.548 178.422 176.870 0.006 0.000 1.148 309 L CA 1.560 56.404 54.840 0.007 0.000 0.825 309 L CB -1.783 40.285 42.059 0.015 0.000 0.937 309 L HN 0.208 nan 8.230 nan 0.000 0.450 310 N N 0.348 119.052 118.700 0.006 0.000 2.149 310 N HA -0.229 4.511 4.740 -0.001 0.000 0.188 310 N C 1.690 177.201 175.510 0.002 0.000 1.019 310 N CA 1.452 54.505 53.050 0.005 0.000 0.857 310 N CB 0.136 38.626 38.487 0.005 0.000 0.997 310 N HN 0.510 nan 8.380 nan 0.000 0.426 311 Q N 0.347 120.146 119.800 -0.001 0.000 2.096 311 Q HA -0.027 4.312 4.340 -0.001 0.000 0.197 311 Q C 2.036 178.032 176.000 -0.007 0.000 0.964 311 Q CA 0.395 56.195 55.803 -0.004 0.000 0.838 311 Q CB -0.452 28.283 28.738 -0.006 0.000 0.906 311 Q HN 0.319 nan 8.270 nan 0.000 0.444 312 L N 1.124 122.342 121.223 -0.008 0.000 2.191 312 L HA -0.108 4.232 4.340 -0.001 0.000 0.212 312 L C 2.137 179.001 176.870 -0.009 0.000 1.103 312 L CA 1.444 56.276 54.840 -0.012 0.000 0.769 312 L CB -0.268 41.781 42.059 -0.016 0.000 0.908 312 L HN 0.007 nan 8.230 nan 0.000 0.438 313 R N -0.082 120.417 120.500 -0.003 0.000 2.127 313 R HA -0.187 4.152 4.340 -0.001 0.000 0.238 313 R C 2.217 178.515 176.300 -0.003 0.000 1.134 313 R CA 1.328 57.428 56.100 0.001 0.000 0.975 313 R CB -0.424 29.879 30.300 0.005 0.000 0.865 313 R HN 0.480 nan 8.270 nan 0.000 0.447 314 K N 0.038 120.435 120.400 -0.005 0.000 2.044 314 K HA -0.020 4.300 4.320 -0.001 0.000 0.204 314 K C 2.052 178.647 176.600 -0.009 0.000 1.049 314 K CA 1.236 57.520 56.287 -0.006 0.000 0.945 314 K CB 0.106 32.603 32.500 -0.005 0.000 0.724 314 K HN -0.056 nan 8.250 nan 0.000 0.440 315 S N 0.737 116.430 115.700 -0.012 0.000 2.368 315 S HA -0.186 4.284 4.470 -0.001 0.000 0.226 315 S C 1.882 176.472 174.600 -0.017 0.000 1.044 315 S CA 1.635 59.826 58.200 -0.016 0.000 1.062 315 S CB -0.474 62.714 63.200 -0.020 0.000 0.931 315 S HN 0.318 nan 8.310 nan 0.000 0.440 316 V N 1.644 121.548 119.914 -0.017 0.000 2.515 316 V HA -0.081 4.038 4.120 -0.001 0.000 0.250 316 V C 2.305 178.391 176.094 -0.014 0.000 1.058 316 V CA 1.709 63.999 62.300 -0.017 0.000 1.064 316 V CB -0.911 30.903 31.823 -0.015 0.000 0.675 316 V HN 0.480 nan 8.190 nan 0.000 0.461 317 A N -0.220 122.593 122.820 -0.011 0.000 1.933 317 A HA -0.213 4.106 4.320 -0.001 0.000 0.218 317 A C 1.945 179.522 177.584 -0.011 0.000 1.175 317 A CA 2.007 54.038 52.037 -0.010 0.000 0.628 317 A CB -0.632 18.364 19.000 -0.007 0.000 0.814 317 A HN 0.658 nan 8.150 nan 0.000 0.444 318 D N -0.524 119.869 120.400 -0.011 0.000 2.084 318 D HA -0.086 4.554 4.640 -0.001 0.000 0.199 318 D C 2.059 178.352 176.300 -0.013 0.000 0.981 318 D CA 1.928 55.922 54.000 -0.011 0.000 0.841 318 D CB -1.092 39.701 40.800 -0.011 0.000 0.997 318 D HN 0.336 nan 8.370 nan 0.000 0.454 319 T N 1.572 116.117 114.554 -0.015 0.000 2.653 319 T HA -0.152 4.197 4.350 -0.001 0.000 0.268 319 T C 2.259 176.949 174.700 -0.016 0.000 1.035 319 T CA 1.247 63.337 62.100 -0.017 0.000 1.154 319 T CB -0.533 68.323 68.868 -0.021 0.000 0.862 319 T HN -0.055 nan 8.240 nan 0.000 0.441 320 V N 0.285 120.189 119.914 -0.016 0.000 2.220 320 V HA 0.040 4.160 4.120 -0.001 0.000 0.246 320 V C 2.316 178.402 176.094 -0.014 0.000 1.049 320 V CA 2.265 64.555 62.300 -0.017 0.000 1.003 320 V CB -0.982 30.830 31.823 -0.018 0.000 0.634 320 V HN 0.785 nan 8.190 nan 0.000 0.444 321 G N -1.798 106.995 108.800 -0.013 0.000 4.386 321 G HA2 -0.108 3.852 3.960 -0.001 0.000 0.185 321 G HA3 -0.108 3.852 3.960 -0.001 0.000 0.185 321 G C 0.144 175.039 174.900 -0.008 0.000 1.725 321 G CA 0.011 45.105 45.100 -0.010 0.000 0.941 321 G HN 0.368 nan 8.290 nan 0.000 0.315 322 V N 2.484 122.392 119.914 -0.009 0.000 3.816 322 V HA 0.498 4.618 4.120 -0.001 0.000 0.281 322 V C 1.531 177.621 176.094 -0.006 0.000 1.027 322 V CA 0.368 62.664 62.300 -0.006 0.000 1.032 322 V CB 0.810 32.629 31.823 -0.007 0.000 1.226 322 V HN 1.187 nan 8.190 nan 0.000 0.448 323 S N -1.041 114.657 115.700 -0.003 0.000 2.681 323 S HA 0.309 4.778 4.470 -0.001 0.000 0.270 323 S C 0.847 175.446 174.600 -0.002 0.000 1.209 323 S CA -0.289 57.910 58.200 -0.002 0.000 0.988 323 S CB 1.278 64.478 63.200 0.000 0.000 1.006 323 S HN 0.393 nan 8.310 nan 0.000 0.558 324 V N 1.500 121.414 119.914 -0.000 0.000 2.392 324 V HA -0.180 3.939 4.120 -0.001 0.000 0.249 324 V C 2.635 178.732 176.094 0.004 0.000 1.059 324 V CA 2.325 64.625 62.300 0.001 0.000 1.051 324 V CB -1.321 30.503 31.823 0.002 0.000 0.658 324 V HN 0.897 nan 8.190 nan 0.000 0.455 325 E N -0.092 120.111 120.200 0.005 0.000 2.051 325 E HA -0.281 4.068 4.350 -0.001 0.000 0.192 325 E C 2.243 178.849 176.600 0.010 0.000 0.991 325 E CA 1.454 57.859 56.400 0.009 0.000 0.799 325 E CB -0.166 29.539 29.700 0.009 0.000 0.748 325 E HN 0.606 nan 8.360 nan 0.000 0.449 326 E N 1.209 121.413 120.200 0.007 0.000 2.077 326 E HA -0.196 4.154 4.350 -0.001 0.000 0.193 326 E C 1.946 178.545 176.600 -0.001 0.000 0.989 326 E CA 0.656 57.060 56.400 0.007 0.000 0.800 326 E CB -0.256 29.445 29.700 0.003 0.000 0.746 326 E HN 0.164 nan 8.360 nan 0.000 0.452 327 L N 1.266 122.484 121.223 -0.007 0.000 1.990 327 L HA -0.178 4.161 4.340 -0.001 0.000 0.213 327 L C 1.821 178.686 176.870 -0.008 0.000 1.072 327 L CA 2.242 57.073 54.840 -0.015 0.000 0.755 327 L CB -0.598 41.456 42.059 -0.009 0.000 0.889 327 L HN 0.196 nan 8.230 nan 0.000 0.432 328 E N -0.876 119.327 120.200 0.005 0.000 2.409 328 E HA -0.082 4.267 4.350 -0.001 0.000 0.198 328 E C 1.915 178.531 176.600 0.027 0.000 1.024 328 E CA 0.578 56.987 56.400 0.015 0.000 0.861 328 E CB -0.373 29.337 29.700 0.017 0.000 0.788 328 E HN 0.702 nan 8.360 nan 0.000 0.521 329 G N 1.155 109.972 108.800 0.029 0.000 2.650 329 G HA2 -0.072 3.888 3.960 -0.001 0.000 0.214 329 G HA3 -0.072 3.888 3.960 -0.001 0.000 0.214 329 G C 1.523 176.489 174.900 0.110 0.000 1.136 329 G CA 0.544 45.681 45.100 0.061 0.000 0.789 329 G HN 0.360 nan 8.290 nan 0.000 0.536 330 I N -2.287 118.304 120.570 0.036 0.000 3.873 330 I HA 0.180 4.350 4.170 -0.001 0.000 0.284 330 I C 2.478 178.576 176.117 -0.032 0.000 1.186 330 I CA 0.393 61.667 61.300 -0.043 0.000 1.362 330 I CB -0.226 37.544 38.000 -0.383 0.000 1.432 330 I HN -0.090 nan 8.210 nan 0.000 0.454 331 V N 0.578 120.472 119.914 -0.033 0.000 2.287 331 V HA -0.151 3.968 4.120 -0.001 0.000 0.248 331 V C 2.355 178.462 176.094 0.022 0.000 1.053 331 V CA 2.019 64.319 62.300 0.001 0.000 1.027 331 V CB -1.319 30.516 31.823 0.021 0.000 0.646 331 V HN 0.363 nan 8.190 nan 0.000 0.447 332 V N 0.998 120.930 119.914 0.030 0.000 2.295 332 V HA -0.102 4.018 4.120 -0.001 0.000 0.246 332 V C 0.555 176.658 176.094 0.014 0.000 1.049 332 V CA 2.847 65.163 62.300 0.026 0.000 1.024 332 V CB -1.831 30.009 31.823 0.028 0.000 0.648 332 V HN 0.500 nan 8.190 nan 0.000 0.447 333 P HA -0.091 nan 4.420 nan 0.000 0.217 333 P C 1.962 179.243 177.300 -0.031 0.000 1.151 333 P CA 1.252 64.368 63.100 0.028 0.000 0.828 333 P CB -0.012 31.750 31.700 0.104 0.000 0.788 334 L N -0.398 120.809 121.223 -0.027 0.000 2.083 334 L HA -0.176 4.164 4.340 -0.001 0.000 0.209 334 L C 2.285 178.900 176.870 -0.425 0.000 1.083 334 L CA 1.515 56.180 54.840 -0.290 0.000 0.752 334 L CB -0.787 41.083 42.059 -0.315 0.000 0.899 334 L HN 0.045 nan 8.230 nan 0.000 0.433 335 E N 0.012 120.129 120.200 -0.138 0.000 2.209 335 E HA -0.252 4.097 4.350 -0.001 0.000 0.196 335 E C 2.055 178.595 176.600 -0.100 0.000 0.993 335 E CA 1.162 57.545 56.400 -0.027 0.000 0.819 335 E CB 0.096 29.814 29.700 0.029 0.000 0.745 335 E HN 0.445 nan 8.360 nan 0.000 0.477 336 K N -0.147 120.174 120.400 -0.132 0.000 2.211 336 K HA -0.007 4.312 4.320 -0.001 0.000 0.201 336 K C 2.042 178.528 176.600 -0.191 0.000 1.052 336 K CA 0.370 56.570 56.287 -0.144 0.000 0.973 336 K CB 0.298 32.739 32.500 -0.099 0.000 0.766 336 K HN -0.069 nan 8.250 nan 0.000 0.466 337 V N 0.741 120.515 119.914 -0.234 0.000 2.358 337 V HA -0.248 3.872 4.120 -0.001 0.000 0.246 337 V C 1.844 177.828 176.094 -0.184 0.000 1.047 337 V CA 1.642 63.807 62.300 -0.226 0.000 1.035 337 V CB -0.531 31.130 31.823 -0.270 0.000 0.658 337 V HN 0.211 nan 8.190 nan 0.000 0.452 338 Y N 0.695 120.862 120.300 -0.222 0.000 2.224 338 Y HA -0.153 4.396 4.550 -0.001 0.000 0.289 338 Y C 2.856 178.459 175.900 -0.496 0.000 1.146 338 Y CA 1.131 58.962 58.100 -0.450 0.000 1.182 338 Y CB -1.183 36.778 38.460 -0.832 0.000 0.983 338 Y HN 0.180 nan 8.280 nan 0.000 0.524 339 S N -0.039 115.485 115.700 -0.294 0.000 2.355 339 S HA -0.151 4.318 4.470 -0.001 0.000 0.222 339 S C 2.078 176.291 174.600 -0.645 0.000 1.031 339 S CA 1.188 59.074 58.200 -0.524 0.000 0.993 339 S CB -0.714 62.186 63.200 -0.501 0.000 0.859 339 S HN 0.327 nan 8.310 nan 0.000 0.453 340 L N 1.974 122.968 121.223 -0.381 0.000 2.046 340 L HA -0.011 4.329 4.340 -0.001 0.000 0.208 340 L C 2.349 179.120 176.870 -0.164 0.000 1.077 340 L CA 1.895 56.588 54.840 -0.246 0.000 0.747 340 L CB -1.074 40.882 42.059 -0.171 0.000 0.896 340 L HN 0.249 nan 8.230 nan 0.000 0.432 341 A N -0.700 122.029 122.820 -0.153 0.000 1.902 341 A HA -0.302 4.018 4.320 -0.001 0.000 0.217 341 A C 2.079 179.491 177.584 -0.286 0.000 1.181 341 A CA 1.988 53.907 52.037 -0.197 0.000 0.623 341 A CB -1.075 17.845 19.000 -0.133 0.000 0.818 341 A HN 0.640 nan 8.150 nan 0.000 0.443 342 D N -1.717 118.625 120.400 -0.097 0.000 2.097 342 D HA -0.205 4.434 4.640 -0.001 0.000 0.197 342 D C 1.744 178.097 176.300 0.089 0.000 0.984 342 D CA 1.510 55.571 54.000 0.102 0.000 0.826 342 D CB -0.186 40.793 40.800 0.298 0.000 0.973 342 D HN 0.510 nan 8.370 nan 0.000 0.460 343 H N -0.588 118.425 119.070 -0.095 0.000 2.387 343 H HA -0.061 4.495 4.556 -0.001 0.000 0.299 343 H C 2.367 177.612 175.328 -0.139 0.000 1.099 343 H CA 1.893 57.876 56.048 -0.108 0.000 1.315 343 H CB -1.190 28.503 29.762 -0.116 0.000 1.380 343 H HN 0.384 nan 8.280 nan 0.000 0.513 344 T N -1.563 112.977 114.554 -0.022 0.000 2.915 344 T HA -0.088 4.261 4.350 -0.001 0.000 0.269 344 T C 2.028 176.603 174.700 -0.207 0.000 1.071 344 T CA 0.896 62.961 62.100 -0.058 0.000 1.132 344 T CB 0.173 69.061 68.868 0.032 0.000 0.878 344 T HN 0.259 nan 8.240 nan 0.000 0.479 345 R N -0.137 120.037 120.500 -0.543 0.000 2.093 345 R HA 0.025 4.365 4.340 -0.001 0.000 0.224 345 R C 2.699 178.918 176.300 -0.135 0.000 1.101 345 R CA 1.135 56.810 56.100 -0.708 0.000 0.979 345 R CB -0.836 28.918 30.300 -0.909 0.000 0.877 345 R HN 0.505 nan 8.270 nan 0.000 0.441 346 C N 0.403 119.656 119.300 -0.080 0.000 2.435 346 C HA 0.053 4.513 4.460 -0.001 0.000 0.279 346 C C 2.482 177.480 174.990 0.012 0.000 1.321 346 C CA 0.278 59.295 59.018 -0.002 0.000 1.752 346 C CB -0.887 26.829 27.740 -0.040 0.000 1.959 346 C HN 0.519 nan 8.230 nan 0.000 0.500 347 I N 0.260 120.800 120.570 -0.051 0.000 2.315 347 I HA -0.161 4.009 4.170 -0.001 0.000 0.248 347 I C 2.586 178.640 176.117 -0.105 0.000 1.117 347 I CA 1.158 62.415 61.300 -0.071 0.000 1.404 347 I CB -0.494 37.454 38.000 -0.087 0.000 1.071 347 I HN 0.388 nan 8.210 nan 0.000 0.419 348 L N 0.116 121.251 121.223 -0.147 0.000 2.013 348 L HA -0.218 4.122 4.340 -0.001 0.000 0.212 348 L C 1.145 177.697 176.870 -0.530 0.000 1.073 348 L CA 1.537 56.164 54.840 -0.355 0.000 0.753 348 L CB -0.144 41.709 42.059 -0.343 0.000 0.890 348 L HN -0.013 nan 8.230 nan 0.000 0.432 352 G N -0.389 108.322 108.800 -0.148 0.000 2.448 352 G HA2 -0.205 3.754 3.960 -0.001 0.000 0.219 352 G HA3 -0.205 3.754 3.960 -0.001 0.000 0.219 352 G C 0.792 175.856 174.900 0.273 0.000 1.127 352 G CA 1.196 46.233 45.100 -0.105 0.000 0.766 352 G HN 0.370 nan 8.290 nan 0.000 0.552 353 D N -0.385 120.173 120.400 0.264 0.000 2.328 353 D HA 0.294 4.933 4.640 -0.001 0.000 0.221 353 D C 1.803 178.257 176.300 0.257 0.000 1.072 353 D CA 0.766 54.958 54.000 0.319 0.000 0.850 353 D CB 0.147 41.144 40.800 0.328 0.000 0.922 353 D HN 0.355 nan 8.370 nan 0.000 0.516 354 G N 0.070 109.021 108.800 0.252 0.000 2.184 354 G HA2 -0.224 3.736 3.960 -0.001 0.000 0.206 354 G HA3 -0.224 3.736 3.960 -0.001 0.000 0.206 354 G C 0.236 175.254 174.900 0.195 0.000 0.995 354 G CA -0.450 44.829 45.100 0.299 0.000 0.651 354 G HN 0.294 nan 8.290 nan 0.000 0.511 355 L N 1.208 122.494 121.223 0.106 0.000 2.416 355 L HA 0.527 4.866 4.340 -0.001 0.000 0.272 355 L C 0.381 177.311 176.870 0.100 0.000 1.161 355 L CA -0.419 54.457 54.840 0.060 0.000 0.845 355 L CB 1.421 43.487 42.059 0.013 0.000 1.119 355 L HN -0.034 nan 8.230 nan 0.000 0.464 356 V N 4.428 124.408 119.914 0.110 0.000 2.448 356 V HA 0.306 4.425 4.120 -0.001 0.000 0.295 356 V C -2.142 173.993 176.094 0.068 0.000 1.025 356 V CA -1.836 60.544 62.300 0.133 0.000 0.859 356 V CB 1.827 33.799 31.823 0.248 0.000 0.988 356 V HN 0.624 nan 8.190 nan 0.000 0.431 357 P HA 0.202 nan 4.420 nan 0.000 0.265 357 P C -0.267 177.048 177.300 0.025 0.000 1.193 357 P CA 0.559 63.662 63.100 0.004 0.000 0.765 357 P CB 0.591 32.277 31.700 -0.024 0.000 0.823 358 S N 1.906 117.616 115.700 0.017 0.000 2.724 358 S HA 0.366 4.835 4.470 -0.001 0.000 0.278 358 S C -0.001 174.628 174.600 0.048 0.000 1.190 358 S CA -0.732 57.490 58.200 0.037 0.000 0.860 358 S CB 0.805 64.040 63.200 0.058 0.000 1.206 358 S HN 0.229 nan 8.310 nan 0.000 0.507 359 N N 0.581 119.332 118.700 0.085 0.000 2.230 359 N HA 0.490 5.229 4.740 -0.001 0.000 0.202 359 N C -0.018 175.659 175.510 0.278 0.000 1.119 359 N CA 0.537 53.685 53.050 0.163 0.000 0.851 359 N CB 1.016 39.559 38.487 0.093 0.000 0.990 359 N HN 0.818 nan 8.380 nan 0.000 0.497 360 A N -0.788 122.149 122.820 0.195 0.000 2.532 360 A HA 0.777 5.097 4.320 -0.001 0.000 0.290 360 A C 0.726 178.352 177.584 0.070 0.000 1.143 360 A CA -0.101 52.028 52.037 0.152 0.000 0.728 360 A CB 0.729 19.789 19.000 0.100 0.000 1.317 360 A HN 0.195 nan 8.150 nan 0.000 0.414 361 G N -0.242 108.566 108.800 0.013 0.000 2.581 361 G HA2 0.121 4.081 3.960 -0.001 0.000 0.289 361 G HA3 0.121 4.081 3.960 -0.001 0.000 0.289 361 G C 1.295 175.809 174.900 -0.643 0.000 1.303 361 G CA 1.327 46.236 45.100 -0.320 0.000 0.931 361 G HN 2.278 nan 8.290 nan 0.000 0.555 362 A N -0.885 121.245 122.820 -1.151 0.000 1.948 362 A HA 0.118 4.437 4.320 -0.001 0.000 0.220 362 A C 3.023 180.473 177.584 -0.224 0.000 1.177 362 A CA 2.831 54.447 52.037 -0.703 0.000 0.636 362 A CB -1.210 17.475 19.000 -0.525 0.000 0.815 362 A HN 2.325 nan 8.150 nan 0.000 0.449 363 G N -1.627 107.085 108.800 -0.145 0.000 2.475 363 G HA2 -0.335 3.625 3.960 -0.001 0.000 0.220 363 G HA3 -0.335 3.625 3.960 -0.001 0.000 0.220 363 G C 1.491 176.403 174.900 0.021 0.000 1.125 363 G CA 1.345 46.427 45.100 -0.030 0.000 0.755 363 G HN 0.664 nan 8.290 nan 0.000 0.565 364 Y N 1.210 121.453 120.300 -0.096 0.000 2.224 364 Y HA -0.021 4.529 4.550 -0.001 0.000 0.289 364 Y C 2.448 178.313 175.900 -0.059 0.000 1.146 364 Y CA 1.274 59.331 58.100 -0.072 0.000 1.182 364 Y CB -0.141 38.261 38.460 -0.098 0.000 0.983 364 Y HN 0.147 nan 8.280 nan 0.000 0.524 365 L N -0.575 120.767 121.223 0.199 0.000 2.156 365 L HA -0.083 4.256 4.340 -0.001 0.000 0.208 365 L C 2.736 179.596 176.870 -0.016 0.000 1.095 365 L CA 0.818 55.727 54.840 0.116 0.000 0.770 365 L CB -0.953 41.172 42.059 0.110 0.000 0.914 365 L HN 0.283 nan 8.230 nan 0.000 0.439 366 A N 0.704 123.507 122.820 -0.029 0.000 1.873 366 A HA -0.223 4.096 4.320 -0.001 0.000 0.215 366 A C 2.452 179.989 177.584 -0.079 0.000 1.186 366 A CA 1.656 53.663 52.037 -0.051 0.000 0.616 366 A CB -0.532 18.446 19.000 -0.036 0.000 0.823 366 A HN 0.350 nan 8.150 nan 0.000 0.442 367 R N -0.873 119.572 120.500 -0.092 0.000 2.120 367 R HA -0.044 4.296 4.340 -0.001 0.000 0.234 367 R C 1.122 177.355 176.300 -0.111 0.000 1.123 367 R CA 0.739 56.775 56.100 -0.107 0.000 0.975 367 R CB -0.575 29.648 30.300 -0.129 0.000 0.866 367 R HN 0.437 nan 8.270 nan 0.000 0.446 371 R N 1.386 121.828 120.500 -0.097 0.000 2.081 371 R HA -0.084 4.256 4.340 -0.001 0.000 0.235 371 R C 2.221 178.461 176.300 -0.100 0.000 1.131 371 R CA 2.057 58.110 56.100 -0.078 0.000 0.960 371 R CB -0.158 30.228 30.300 0.144 0.000 0.856 371 R HN 0.197 nan 8.270 nan 0.000 0.436 372 R N -0.149 120.304 120.500 -0.078 0.000 2.081 372 R HA -0.076 4.263 4.340 -0.001 0.000 0.235 372 R C 2.014 178.267 176.300 -0.079 0.000 1.131 372 R CA 1.837 57.880 56.100 -0.094 0.000 0.960 372 R CB -0.053 30.082 30.300 -0.274 0.000 0.856 372 R HN 0.105 nan 8.270 nan 0.000 0.436 373 S N 0.853 116.504 115.700 -0.081 0.000 2.368 373 S HA -0.098 4.371 4.470 -0.001 0.000 0.225 373 S C 1.830 176.327 174.600 -0.172 0.000 1.030 373 S CA 1.147 59.294 58.200 -0.088 0.000 0.999 373 S CB -0.169 62.990 63.200 -0.070 0.000 0.844 373 S HN 0.284 nan 8.310 nan 0.000 0.459 374 L N 0.925 121.968 121.223 -0.299 0.000 2.131 374 L HA -0.110 4.230 4.340 -0.001 0.000 0.210 374 L C 2.642 179.265 176.870 -0.411 0.000 1.092 374 L CA 1.184 55.734 54.840 -0.484 0.000 0.759 374 L CB -0.351 41.127 42.059 -0.968 0.000 0.903 374 L HN 0.207 nan 8.230 nan 0.000 0.435 375 R N 0.720 121.051 120.500 -0.281 0.000 2.073 375 R HA -0.092 4.248 4.340 -0.001 0.000 0.229 375 R C 2.083 178.383 176.300 0.001 0.000 1.120 375 R CA 1.456 57.566 56.100 0.017 0.000 0.967 375 R CB -0.608 29.775 30.300 0.138 0.000 0.862 375 R HN 0.225 nan 8.270 nan 0.000 0.436 376 L N 0.078 121.270 121.223 -0.052 0.000 2.046 376 L HA -0.040 4.299 4.340 -0.001 0.000 0.208 376 L C 2.497 179.326 176.870 -0.068 0.000 1.077 376 L CA 1.373 56.174 54.840 -0.064 0.000 0.747 376 L CB -0.604 41.389 42.059 -0.110 0.000 0.896 376 L HN 0.357 nan 8.230 nan 0.000 0.432 377 A N -0.419 122.351 122.820 -0.082 0.000 1.933 377 A HA -0.254 4.066 4.320 -0.001 0.000 0.218 377 A C 2.257 179.816 177.584 -0.041 0.000 1.175 377 A CA 1.839 53.833 52.037 -0.073 0.000 0.628 377 A CB -0.440 18.508 19.000 -0.086 0.000 0.814 377 A HN 0.477 nan 8.150 nan 0.000 0.444 378 E N -0.155 120.036 120.200 -0.015 0.000 2.047 378 E HA -0.198 4.152 4.350 -0.001 0.000 0.191 378 E C 1.897 178.505 176.600 0.013 0.000 0.987 378 E CA 1.216 57.633 56.400 0.028 0.000 0.799 378 E CB -0.140 29.625 29.700 0.108 0.000 0.752 378 E HN 0.725 nan 8.360 nan 0.000 0.449 379 E N 0.116 120.322 120.200 0.009 0.000 2.118 379 E HA -0.169 4.180 4.350 -0.001 0.000 0.195 379 E C 1.966 178.551 176.600 -0.025 0.000 0.992 379 E CA 0.872 57.271 56.400 -0.002 0.000 0.804 379 E CB 0.031 29.730 29.700 -0.001 0.000 0.741 379 E HN 0.334 nan 8.360 nan 0.000 0.458 380 L N 0.314 121.511 121.223 -0.042 0.000 2.558 380 L HA 0.038 4.378 4.340 -0.001 0.000 0.225 380 L C -0.006 176.829 176.870 -0.058 0.000 1.128 380 L CA 0.144 54.946 54.840 -0.063 0.000 0.868 380 L CB -0.033 41.976 42.059 -0.084 0.000 1.006 380 L HN 0.054 nan 8.230 nan 0.000 0.454 381 E N 0.479 120.655 120.200 -0.039 0.000 2.389 381 E HA -0.239 4.110 4.350 -0.001 0.000 0.243 381 E C 0.043 176.618 176.600 -0.042 0.000 1.154 381 E CA -0.001 56.379 56.400 -0.032 0.000 0.723 381 E CB -1.428 28.252 29.700 -0.033 0.000 1.261 381 E HN 0.151 nan 8.360 nan 0.000 0.390 382 L N 0.176 121.370 121.223 -0.047 0.000 2.640 382 L HA 0.038 4.377 4.340 -0.001 0.000 0.280 382 L C 1.494 178.340 176.870 -0.041 0.000 1.229 382 L CA 1.691 56.498 54.840 -0.053 0.000 0.919 382 L CB 0.772 42.796 42.059 -0.059 0.000 1.168 382 L HN 0.214 nan 8.230 nan 0.000 0.496 383 G N 5.976 114.751 108.800 -0.042 0.000 3.088 383 G HA2 0.207 4.167 3.960 -0.001 0.000 0.212 383 G HA3 0.207 4.167 3.960 -0.001 0.000 0.212 383 G C 0.308 175.192 174.900 -0.026 0.000 1.173 383 G CA -0.171 44.910 45.100 -0.032 0.000 0.779 383 G HN 0.480 nan 8.290 nan 0.000 0.540 384 L N -0.568 120.636 121.223 -0.031 0.000 2.283 384 L HA 0.497 4.837 4.340 -0.001 0.000 0.259 384 L C -0.834 176.024 176.870 -0.020 0.000 1.027 384 L CA -1.276 53.550 54.840 -0.023 0.000 0.828 384 L CB 1.970 44.008 42.059 -0.036 0.000 1.380 384 L HN -0.146 nan 8.230 nan 0.000 0.425 385 D N 0.150 120.550 120.400 0.000 0.000 2.294 385 D HA 0.271 4.911 4.640 -0.001 0.000 0.250 385 D C 1.120 177.417 176.300 -0.004 0.000 1.058 385 D CA -0.389 53.616 54.000 0.008 0.000 0.950 385 D CB 1.862 42.691 40.800 0.048 0.000 1.158 385 D HN 0.362 nan 8.370 nan 0.000 0.453 386 L N 0.580 121.792 121.223 -0.018 0.000 2.043 386 L HA -0.257 4.083 4.340 -0.001 0.000 0.212 386 L C 2.300 179.149 176.870 -0.036 0.000 1.075 386 L CA 1.311 56.126 54.840 -0.041 0.000 0.752 386 L CB -0.442 41.583 42.059 -0.056 0.000 0.891 386 L HN 0.519 nan 8.230 nan 0.000 0.432 387 Y N 1.407 121.663 120.300 -0.074 0.000 2.114 387 Y HA -0.357 4.193 4.550 -0.001 0.000 0.282 387 Y C 2.397 178.262 175.900 -0.058 0.000 1.165 387 Y CA 1.957 60.014 58.100 -0.071 0.000 1.148 387 Y CB -0.399 38.018 38.460 -0.070 0.000 0.972 387 Y HN 0.264 nan 8.280 nan 0.000 0.504 388 D N 0.236 120.571 120.400 -0.110 0.000 2.158 388 D HA -0.222 4.417 4.640 -0.001 0.000 0.197 388 D C 2.251 178.410 176.300 -0.234 0.000 0.995 388 D CA 1.891 55.795 54.000 -0.160 0.000 0.846 388 D CB -0.324 40.458 40.800 -0.030 0.000 0.941 388 D HN 0.442 nan 8.370 nan 0.000 0.456 389 L N 0.350 121.456 121.223 -0.194 0.000 2.109 389 L HA -0.094 4.245 4.340 -0.001 0.000 0.207 389 L C 2.599 179.356 176.870 -0.189 0.000 1.086 389 L CA 0.342 55.061 54.840 -0.202 0.000 0.760 389 L CB -0.205 41.768 42.059 -0.144 0.000 0.910 389 L HN -0.095 nan 8.230 nan 0.000 0.437 390 V N -0.305 119.489 119.914 -0.201 0.000 2.358 390 V HA -0.196 3.923 4.120 -0.001 0.000 0.246 390 V C 1.595 177.540 176.094 -0.249 0.000 1.047 390 V CA 1.017 63.216 62.300 -0.168 0.000 1.035 390 V CB -0.343 31.343 31.823 -0.229 0.000 0.658 390 V HN 0.446 nan 8.190 nan 0.000 0.452 394 K N 2.697 123.147 120.400 0.084 0.000 2.057 394 K HA -0.104 4.216 4.320 -0.001 0.000 0.207 394 K C 1.784 178.459 176.600 0.124 0.000 1.049 394 K CA 2.002 58.345 56.287 0.093 0.000 0.931 394 K CB 0.117 32.633 32.500 0.027 0.000 0.714 394 K HN 0.504 nan 8.250 nan 0.000 0.440 395 K N -0.312 120.135 120.400 0.078 0.000 2.228 395 K HA -0.007 4.313 4.320 -0.001 0.000 0.202 395 K C 2.268 178.931 176.600 0.106 0.000 1.051 395 K CA 0.821 57.162 56.287 0.089 0.000 0.960 395 K CB -0.207 32.326 32.500 0.056 0.000 0.743 395 K HN 0.069 nan 8.250 nan 0.000 0.458 396 I N 1.583 122.217 120.570 0.106 0.000 2.202 396 I HA -0.241 3.929 4.170 -0.001 0.000 0.242 396 I C 2.318 178.526 176.117 0.152 0.000 1.091 396 I CA 1.175 62.551 61.300 0.127 0.000 1.368 396 I CB -0.146 37.941 38.000 0.146 0.000 1.058 396 I HN 0.104 nan 8.210 nan 0.000 0.410 397 L N 0.076 121.389 121.223 0.149 0.000 2.072 397 L HA -0.015 4.325 4.340 -0.001 0.000 0.205 397 L C 1.735 178.784 176.870 0.299 0.000 1.079 397 L CA 1.165 56.072 54.840 0.112 0.000 0.752 397 L CB -0.655 41.323 42.059 -0.134 0.000 0.906 397 L HN 0.512 nan 8.230 nan 0.000 0.436 398 G N -1.065 107.910 108.800 0.292 0.000 2.136 398 G HA2 -0.268 3.692 3.960 -0.001 0.000 0.242 398 G HA3 -0.268 3.692 3.960 -0.001 0.000 0.242 398 G C 0.096 175.237 174.900 0.403 0.000 0.989 398 G CA -0.348 44.934 45.100 0.304 0.000 0.682 398 G HN 0.056 nan 8.290 nan 0.000 0.522 399 F N 1.020 121.000 119.950 0.050 0.000 2.380 399 F HA 0.588 5.114 4.527 -0.001 0.000 0.325 399 F C 0.885 176.536 175.800 -0.248 0.000 1.136 399 F CA -1.347 56.565 58.000 -0.147 0.000 1.171 399 F CB 0.781 39.600 39.000 -0.301 0.000 1.230 399 F HN -0.010 nan 8.300 nan 0.000 0.554 400 E N 1.599 121.640 120.200 -0.265 0.000 2.183 400 E HA 0.394 4.743 4.350 -0.001 0.000 0.271 400 E C -1.325 174.978 176.600 -0.494 0.000 0.919 400 E CA -0.435 55.845 56.400 -0.201 0.000 0.781 400 E CB 1.949 31.587 29.700 -0.105 0.000 1.140 400 E HN 0.259 nan 8.360 nan 0.000 0.402 401 F N 0.522 120.502 119.950 0.049 0.000 2.561 401 F HA 0.208 4.734 4.527 -0.002 0.000 0.321 401 F C 1.456 177.306 175.800 0.083 0.000 1.065 401 F CA -0.811 57.221 58.000 0.054 0.000 0.934 401 F CB 1.180 40.186 39.000 0.011 0.000 1.215 401 F HN 0.242 nan 8.300 nan 0.000 0.471 402 D N 0.477 121.052 120.400 0.290 0.000 2.123 402 D HA -0.060 4.579 4.640 -0.001 0.000 0.196 402 D C 0.349 176.792 176.300 0.239 0.000 0.992 402 D CA 1.423 55.566 54.000 0.238 0.000 0.833 402 D CB 0.090 41.063 40.800 0.288 0.000 0.954 402 D HN 0.019 nan 8.370 nan 0.000 0.455 403 V N 3.433 123.513 119.914 0.276 0.000 2.383 403 V HA 0.229 4.349 4.120 -0.001 0.000 0.275 403 V C -1.988 174.218 176.094 0.187 0.000 1.036 403 V CA -1.510 60.930 62.300 0.232 0.000 0.889 403 V CB 1.510 33.469 31.823 0.226 0.000 0.985 403 V HN 0.020 nan 8.190 nan 0.000 0.459 404 P HA 0.188 nan 4.420 nan 0.000 0.272 404 P C 1.073 178.436 177.300 0.106 0.000 1.230 404 P CA -0.314 62.868 63.100 0.135 0.000 0.788 404 P CB 1.353 33.124 31.700 0.119 0.000 0.949 405 L N 0.794 122.088 121.223 0.119 0.000 2.189 405 L HA -0.211 4.128 4.340 -0.001 0.000 0.214 405 L C 2.759 179.723 176.870 0.157 0.000 1.097 405 L CA 1.765 56.706 54.840 0.168 0.000 0.764 405 L CB -0.822 41.370 42.059 0.223 0.000 0.900 405 L HN 0.521 nan 8.230 nan 0.000 0.436 406 S N -0.534 115.211 115.700 0.076 0.000 2.353 406 S HA -0.214 4.255 4.470 -0.001 0.000 0.222 406 S C 1.965 176.538 174.600 -0.045 0.000 1.035 406 S CA 2.241 60.439 58.200 -0.004 0.000 1.025 406 S CB -0.169 63.047 63.200 0.027 0.000 0.902 406 S HN 0.456 nan 8.310 nan 0.000 0.440 407 T N 1.596 116.148 114.554 -0.004 0.000 2.821 407 T HA -0.005 4.345 4.350 -0.001 0.000 0.267 407 T C 1.867 176.443 174.700 -0.206 0.000 1.046 407 T CA 1.251 63.306 62.100 -0.075 0.000 1.139 407 T CB -0.476 68.409 68.868 0.029 0.000 0.871 407 T HN 0.262 nan 8.240 nan 0.000 0.454 408 V N 1.709 121.569 119.914 -0.089 0.000 2.282 408 V HA -0.282 3.837 4.120 -0.001 0.000 0.249 408 V C 2.679 178.727 176.094 -0.076 0.000 1.057 408 V CA 2.089 64.343 62.300 -0.076 0.000 1.032 408 V CB -0.733 31.105 31.823 0.025 0.000 0.645 408 V HN 0.510 nan 8.190 nan 0.000 0.447 409 Q N -0.147 119.609 119.800 -0.073 0.000 2.061 409 Q HA -0.316 4.024 4.340 -0.001 0.000 0.204 409 Q C 2.299 178.146 176.000 -0.256 0.000 0.984 409 Q CA 2.437 58.074 55.803 -0.276 0.000 0.846 409 Q CB -0.185 28.079 28.738 -0.790 0.000 0.902 409 Q HN 0.757 nan 8.270 nan 0.000 0.421 410 E N 0.025 120.058 120.200 -0.278 0.000 2.085 410 E HA -0.200 4.149 4.350 -0.001 0.000 0.194 410 E C 1.909 178.261 176.600 -0.414 0.000 0.994 410 E CA 1.534 57.759 56.400 -0.292 0.000 0.801 410 E CB -0.145 29.399 29.700 -0.259 0.000 0.743 410 E HN 0.481 nan 8.360 nan 0.000 0.453 411 I N 0.331 120.548 120.570 -0.588 0.000 2.179 411 I HA -0.285 3.885 4.170 -0.001 0.000 0.242 411 I C 2.214 178.167 176.117 -0.273 0.000 1.088 411 I CA 0.938 61.899 61.300 -0.566 0.000 1.357 411 I CB -0.146 37.508 38.000 -0.578 0.000 1.051 411 I HN 0.196 nan 8.210 nan 0.000 0.409 412 L N 0.066 121.174 121.223 -0.193 0.000 2.201 412 L HA -0.199 4.140 4.340 -0.001 0.000 0.212 412 L C 2.356 179.170 176.870 -0.093 0.000 1.105 412 L CA 1.236 56.009 54.840 -0.111 0.000 0.775 412 L CB -0.480 41.551 42.059 -0.047 0.000 0.913 412 L HN 0.236 nan 8.230 nan 0.000 0.440 413 E N 0.133 120.267 120.200 -0.111 0.000 2.072 413 E HA -0.164 4.185 4.350 -0.001 0.000 0.191 413 E C 2.284 178.849 176.600 -0.058 0.000 0.985 413 E CA 0.946 57.299 56.400 -0.079 0.000 0.801 413 E CB -0.010 29.635 29.700 -0.093 0.000 0.750 413 E HN 0.411 nan 8.360 nan 0.000 0.452 414 L N 0.798 121.976 121.223 -0.076 0.000 2.109 414 L HA -0.134 4.206 4.340 -0.001 0.000 0.207 414 L C 2.315 179.171 176.870 -0.023 0.000 1.086 414 L CA 0.726 55.544 54.840 -0.037 0.000 0.760 414 L CB -0.261 41.782 42.059 -0.026 0.000 0.910 414 L HN 0.033 nan 8.230 nan 0.000 0.437 415 E N 0.575 120.747 120.200 -0.046 0.000 2.072 415 E HA -0.234 4.115 4.350 -0.001 0.000 0.191 415 E C 2.096 178.706 176.600 0.017 0.000 0.985 415 E CA 1.053 57.438 56.400 -0.024 0.000 0.801 415 E CB -0.082 29.582 29.700 -0.059 0.000 0.750 415 E HN 0.392 nan 8.360 nan 0.000 0.452 416 K N 0.938 121.337 120.400 -0.003 0.000 2.097 416 K HA -0.214 4.106 4.320 -0.001 0.000 0.206 416 K C 2.039 178.696 176.600 0.095 0.000 1.049 416 K CA 1.571 57.880 56.287 0.037 0.000 0.933 416 K CB 0.056 32.556 32.500 0.001 0.000 0.717 416 K HN -0.135 nan 8.250 nan 0.000 0.442 417 E N 1.010 121.239 120.200 0.048 0.000 2.072 417 E HA -0.172 4.177 4.350 -0.001 0.000 0.191 417 E C 1.968 178.596 176.600 0.047 0.000 0.985 417 E CA 1.326 57.751 56.400 0.042 0.000 0.801 417 E CB -0.102 29.609 29.700 0.018 0.000 0.750 417 E HN 0.270 nan 8.360 nan 0.000 0.452 418 R N -1.144 119.387 120.500 0.051 0.000 2.092 418 R HA -0.179 4.161 4.340 -0.001 0.000 0.231 418 R C 2.266 178.604 176.300 0.063 0.000 1.119 418 R CA 1.460 57.585 56.100 0.041 0.000 0.970 418 R CB -0.505 29.814 30.300 0.031 0.000 0.864 418 R HN 0.343 nan 8.270 nan 0.000 0.440 419 Y N 1.112 121.396 120.300 -0.027 0.000 2.242 419 Y HA -0.178 4.371 4.550 -0.001 0.000 0.291 419 Y C 2.452 178.344 175.900 -0.015 0.000 1.137 419 Y CA 1.723 59.810 58.100 -0.021 0.000 1.181 419 Y CB -0.194 38.256 38.460 -0.017 0.000 0.989 419 Y HN -0.039 nan 8.280 nan 0.000 0.527 420 R N -0.508 120.010 120.500 0.030 0.000 2.083 420 R HA -0.161 4.179 4.340 -0.001 0.000 0.237 420 R C 1.881 178.112 176.300 -0.115 0.000 1.137 420 R CA 2.180 58.245 56.100 -0.057 0.000 0.951 420 R CB -0.550 29.764 30.300 0.023 0.000 0.851 420 R HN 0.344 nan 8.270 nan 0.000 0.434 421 T N -0.100 114.411 114.554 -0.071 0.000 2.904 421 T HA -0.060 4.289 4.350 -0.001 0.000 0.267 421 T C 1.681 176.323 174.700 -0.096 0.000 1.059 421 T CA 1.623 63.683 62.100 -0.067 0.000 1.137 421 T CB -0.178 68.669 68.868 -0.035 0.000 0.879 421 T HN 0.365 nan 8.240 nan 0.000 0.467 422 T N 1.998 116.476 114.554 -0.127 0.000 2.674 422 T HA -0.086 4.264 4.350 -0.001 0.000 0.265 422 T C 2.206 176.795 174.700 -0.185 0.000 1.039 422 T CA 1.120 63.138 62.100 -0.136 0.000 1.150 422 T CB -0.531 68.255 68.868 -0.137 0.000 0.864 422 T HN 0.155 nan 8.240 nan 0.000 0.427 423 V N 2.324 122.045 119.914 -0.321 0.000 2.343 423 V HA -0.201 3.918 4.120 -0.001 0.000 0.247 423 V C 2.818 178.809 176.094 -0.172 0.000 1.051 423 V CA 1.937 64.058 62.300 -0.298 0.000 1.036 423 V CB -1.205 30.342 31.823 -0.461 0.000 0.654 423 V HN 0.674 nan 8.190 nan 0.000 0.451 424 S N 2.618 118.230 115.700 -0.146 0.000 2.392 424 S HA -0.350 4.119 4.470 -0.001 0.000 0.225 424 S C 1.907 176.459 174.600 -0.080 0.000 1.041 424 S CA 2.135 60.279 58.200 -0.093 0.000 1.100 424 S CB -0.755 62.401 63.200 -0.073 0.000 1.029 424 S HN 0.813 nan 8.310 nan 0.000 0.424 425 K N 1.413 121.767 120.400 -0.077 0.000 2.486 425 K HA 0.206 4.525 4.320 -0.001 0.000 0.194 425 K C 2.060 178.606 176.600 -0.090 0.000 1.033 425 K CA 0.879 57.123 56.287 -0.071 0.000 1.004 425 K CB -0.616 31.849 32.500 -0.057 0.000 0.798 425 K HN 0.462 nan 8.250 nan 0.000 0.495 426 G N 1.287 110.028 108.800 -0.099 0.000 2.430 426 G HA2 -0.152 3.808 3.960 -0.001 0.000 0.216 426 G HA3 -0.152 3.808 3.960 -0.001 0.000 0.216 426 G C 1.296 176.142 174.900 -0.090 0.000 1.146 426 G CA 0.745 45.783 45.100 -0.104 0.000 0.793 426 G HN 0.295 nan 8.290 nan 0.000 0.537 427 T N 1.071 115.578 114.554 -0.078 0.000 2.708 427 T HA -0.126 4.224 4.350 -0.001 0.000 0.266 427 T C 2.409 177.075 174.700 -0.056 0.000 1.037 427 T CA 1.466 63.531 62.100 -0.059 0.000 1.146 427 T CB -0.116 68.721 68.868 -0.051 0.000 0.865 427 T HN 0.313 nan 8.240 nan 0.000 0.435 428 R N 1.565 122.029 120.500 -0.060 0.000 2.083 428 R HA 0.059 4.398 4.340 -0.001 0.000 0.237 428 R C 2.255 178.514 176.300 -0.068 0.000 1.137 428 R CA 1.435 57.501 56.100 -0.056 0.000 0.951 428 R CB -1.324 28.944 30.300 -0.053 0.000 0.851 428 R HN 0.452 nan 8.270 nan 0.000 0.434 429 L N -0.135 121.030 121.223 -0.097 0.000 2.043 429 L HA -0.163 4.177 4.340 -0.001 0.000 0.212 429 L C 1.938 178.746 176.870 -0.103 0.000 1.075 429 L CA 1.571 56.332 54.840 -0.131 0.000 0.752 429 L CB -0.144 41.779 42.059 -0.227 0.000 0.891 429 L HN 0.136 nan 8.230 nan 0.000 0.432 430 V N -0.627 119.239 119.914 -0.081 0.000 2.591 430 V HA -0.190 3.929 4.120 -0.001 0.000 0.249 430 V C 2.257 178.329 176.094 -0.037 0.000 1.053 430 V CA 1.639 63.908 62.300 -0.051 0.000 1.068 430 V CB -0.494 31.309 31.823 -0.034 0.000 0.689 430 V HN 0.468 nan 8.190 nan 0.000 0.462 431 E N 0.295 120.472 120.200 -0.037 0.000 2.110 431 E HA -0.251 4.098 4.350 -0.001 0.000 0.193 431 E C 2.369 178.952 176.600 -0.028 0.000 0.988 431 E CA 1.162 57.545 56.400 -0.028 0.000 0.804 431 E CB -0.154 29.530 29.700 -0.028 0.000 0.745 431 E HN 0.336 nan 8.360 nan 0.000 0.458 432 R N 1.439 121.917 120.500 -0.036 0.000 2.066 432 R HA -0.065 4.274 4.340 -0.001 0.000 0.232 432 R C 2.105 178.389 176.300 -0.027 0.000 1.131 432 R CA 1.124 57.204 56.100 -0.032 0.000 0.955 432 R CB -0.801 29.474 30.300 -0.041 0.000 0.851 432 R HN 0.204 nan 8.270 nan 0.000 0.432 433 L N -0.036 121.167 121.223 -0.032 0.000 2.127 433 L HA -0.150 4.190 4.340 -0.001 0.000 0.211 433 L C 1.856 178.718 176.870 -0.013 0.000 1.089 433 L CA 1.180 56.007 54.840 -0.022 0.000 0.757 433 L CB -0.119 41.925 42.059 -0.023 0.000 0.899 433 L HN 0.116 nan 8.230 nan 0.000 0.434 434 V N -0.141 119.764 119.914 -0.014 0.000 2.515 434 V HA -0.249 3.871 4.120 -0.001 0.000 0.250 434 V C 2.191 178.280 176.094 -0.008 0.000 1.058 434 V CA 1.778 64.073 62.300 -0.009 0.000 1.064 434 V CB -0.443 31.375 31.823 -0.009 0.000 0.675 434 V HN 0.517 nan 8.190 nan 0.000 0.461 435 E N -0.203 119.990 120.200 -0.011 0.000 2.208 435 E HA -0.143 4.206 4.350 -0.001 0.000 0.193 435 E C 2.384 178.979 176.600 -0.007 0.000 0.988 435 E CA 0.775 57.169 56.400 -0.009 0.000 0.828 435 E CB -0.075 29.618 29.700 -0.011 0.000 0.763 435 E HN 0.569 nan 8.360 nan 0.000 0.478 436 R N 0.519 121.015 120.500 -0.008 0.000 2.064 436 R HA 0.061 4.401 4.340 -0.001 0.000 0.221 436 R C 2.224 178.523 176.300 -0.003 0.000 1.136 436 R CA 0.834 56.931 56.100 -0.005 0.000 0.980 436 R CB 0.027 30.323 30.300 -0.006 0.000 0.876 436 R HN -0.081 nan 8.270 nan 0.000 0.437 437 K N 0.620 121.018 120.400 -0.002 0.000 2.276 437 K HA 0.017 4.336 4.320 -0.001 0.000 0.198 437 K C 0.432 177.032 176.600 -0.000 0.000 1.052 437 K CA 0.568 56.855 56.287 0.000 0.000 0.984 437 K CB 0.497 32.998 32.500 0.002 0.000 0.836 437 K HN -0.130 nan 8.250 nan 0.000 0.490 438 K N -0.396 120.003 120.400 -0.001 0.000 3.445 438 K HA -0.190 4.129 4.320 -0.001 0.000 0.316 438 K C -0.468 176.132 176.600 0.000 0.000 1.278 438 K CA 1.261 57.547 56.287 -0.001 0.000 0.976 438 K CB -0.515 31.984 32.500 -0.001 0.000 1.238 438 K HN -0.039 nan 8.250 nan 0.000 0.430 439 K N 1.206 121.607 120.400 0.001 0.000 2.687 439 K HA 0.283 4.603 4.320 -0.001 0.000 0.249 439 K C -1.400 175.202 176.600 0.004 0.000 0.994 439 K CA -0.303 55.986 56.287 0.002 0.000 0.913 439 K CB 0.829 33.331 32.500 0.003 0.000 1.202 439 K HN 0.072 nan 8.250 nan 0.000 0.460 440 L N 3.824 125.049 121.223 0.004 0.000 2.276 440 L HA 0.366 4.706 4.340 -0.001 0.000 0.286 440 L C 0.911 177.784 176.870 0.005 0.000 1.061 440 L CA -0.621 54.223 54.840 0.006 0.000 0.807 440 L CB 1.057 43.120 42.059 0.007 0.000 1.177 440 L HN 0.379 nan 8.230 nan 0.000 0.429 441 E N 2.403 122.608 120.200 0.007 0.000 2.292 441 E HA 0.124 4.473 4.350 -0.001 0.000 0.258 441 E C 0.500 177.102 176.600 0.004 0.000 1.115 441 E CA -0.491 55.912 56.400 0.006 0.000 0.929 441 E CB 1.465 31.169 29.700 0.007 0.000 1.161 441 E HN 0.398 nan 8.360 nan 0.000 0.453 442 K N 0.670 121.070 120.400 0.001 0.000 2.032 442 K HA -0.184 4.136 4.320 -0.001 0.000 0.209 442 K C 0.933 177.535 176.600 0.005 0.000 1.048 442 K CA 1.681 57.966 56.287 -0.004 0.000 0.927 442 K CB 0.042 32.538 32.500 -0.006 0.000 0.712 442 K HN 0.309 nan 8.250 nan 0.000 0.441 443 D N 0.993 121.400 120.400 0.012 0.000 2.310 443 D HA -0.125 4.515 4.640 -0.001 0.000 0.212 443 D C 1.327 177.646 176.300 0.032 0.000 0.965 443 D CA 0.796 54.810 54.000 0.022 0.000 0.879 443 D CB -0.057 40.755 40.800 0.020 0.000 0.921 443 D HN 0.318 nan 8.370 nan 0.000 0.510 444 D N 0.264 120.680 120.400 0.027 0.000 2.137 444 D HA -0.026 4.614 4.640 -0.001 0.000 0.202 444 D C 2.335 178.662 176.300 0.045 0.000 0.970 444 D CA 0.341 54.361 54.000 0.034 0.000 0.837 444 D CB 0.145 40.959 40.800 0.024 0.000 0.981 444 D HN 0.255 nan 8.370 nan 0.000 0.475 445 L N 0.843 122.085 121.223 0.032 0.000 2.217 445 L HA -0.099 4.240 4.340 -0.001 0.000 0.211 445 L C 2.373 179.281 176.870 0.063 0.000 1.107 445 L CA 0.247 55.108 54.840 0.034 0.000 0.783 445 L CB -0.135 41.920 42.059 -0.007 0.000 0.919 445 L HN 0.024 nan 8.230 nan 0.000 0.442 446 I N -0.133 120.472 120.570 0.059 0.000 2.133 446 I HA -0.234 3.936 4.170 -0.001 0.000 0.238 446 I C 2.661 178.865 176.117 0.145 0.000 1.074 446 I CA 1.354 62.712 61.300 0.097 0.000 1.342 446 I CB -1.107 36.938 38.000 0.075 0.000 1.053 446 I HN 0.357 nan 8.210 nan 0.000 0.404 447 E N 1.054 121.318 120.200 0.106 0.000 2.118 447 E HA -0.231 4.118 4.350 -0.001 0.000 0.195 447 E C 2.217 178.890 176.600 0.121 0.000 0.992 447 E CA 1.245 57.704 56.400 0.098 0.000 0.804 447 E CB -0.058 29.689 29.700 0.078 0.000 0.741 447 E HN 0.238 nan 8.360 nan 0.000 0.458 448 L N 0.024 121.339 121.223 0.153 0.000 2.093 448 L HA -0.148 4.192 4.340 -0.001 0.000 0.208 448 L C 2.320 179.285 176.870 0.159 0.000 1.085 448 L CA 1.400 56.360 54.840 0.200 0.000 0.755 448 L CB -1.083 41.059 42.059 0.137 0.000 0.904 448 L HN 0.242 nan 8.230 nan 0.000 0.435 449 Y N 0.317 120.660 120.300 0.070 0.000 2.153 449 Y HA -0.210 4.339 4.550 -0.001 0.000 0.289 449 Y C 2.237 178.166 175.900 0.049 0.000 1.127 449 Y CA 1.796 59.930 58.100 0.057 0.000 1.131 449 Y CB -0.133 38.349 38.460 0.037 0.000 0.995 449 Y HN 0.214 nan 8.280 nan 0.000 0.505 450 D N -0.882 119.570 120.400 0.087 0.000 2.144 450 D HA -0.114 4.526 4.640 -0.001 0.000 0.200 450 D C 2.088 178.329 176.300 -0.099 0.000 0.978 450 D CA 1.714 55.740 54.000 0.043 0.000 0.833 450 D CB -0.078 40.846 40.800 0.207 0.000 0.961 450 D HN 0.265 nan 8.370 nan 0.000 0.470 451 S N -1.227 114.376 115.700 -0.161 0.000 2.503 451 S HA 0.042 4.512 4.470 -0.001 0.000 0.217 451 S C 0.871 175.069 174.600 -0.670 0.000 0.999 451 S CA 0.174 58.136 58.200 -0.396 0.000 0.914 451 S CB 0.268 63.182 63.200 -0.477 0.000 0.782 451 S HN 0.394 nan 8.310 nan 0.000 0.520 452 H N -0.620 118.394 119.070 -0.095 0.000 3.230 452 H HA 0.281 4.836 4.556 -0.001 0.000 0.259 452 H C 1.356 176.587 175.328 -0.161 0.000 1.195 452 H CA 0.351 56.339 56.048 -0.101 0.000 1.112 452 H CB 0.316 30.039 29.762 -0.064 0.000 1.638 452 H HN 0.399 nan 8.280 nan 0.000 0.624 453 G N 2.207 110.870 108.800 -0.228 0.000 2.258 453 G HA2 -0.305 3.655 3.960 -0.001 0.000 0.274 453 G HA3 -0.305 3.655 3.960 -0.001 0.000 0.274 453 G C 0.224 175.007 174.900 -0.194 0.000 1.021 453 G CA 0.301 45.160 45.100 -0.401 0.000 0.798 453 G HN 0.388 nan 8.290 nan 0.000 0.507 454 I N 1.226 121.763 120.570 -0.055 0.000 2.379 454 I HA 0.204 4.374 4.170 -0.001 0.000 0.290 454 I C -1.794 174.481 176.117 0.262 0.000 1.063 454 I CA -2.204 59.144 61.300 0.080 0.000 1.351 454 I CB 1.176 39.219 38.000 0.071 0.000 1.410 454 I HN -0.123 nan 8.210 nan 0.000 0.505 455 P HA -0.027 nan 4.420 nan 0.000 0.263 455 P C 1.098 178.550 177.300 0.253 0.000 1.195 455 P CA 0.011 63.353 63.100 0.404 0.000 0.762 455 P CB 0.675 32.595 31.700 0.366 0.000 0.799 456 V N 4.686 124.692 119.914 0.154 0.000 2.278 456 V HA -0.307 3.813 4.120 -0.001 0.000 0.251 456 V C 2.116 178.238 176.094 0.046 0.000 1.062 456 V CA 2.377 64.671 62.300 -0.009 0.000 1.038 456 V CB -1.208 30.423 31.823 -0.320 0.000 0.646 456 V HN 0.690 nan 8.190 nan 0.000 0.447 457 E N 0.198 120.467 120.200 0.114 0.000 2.338 457 E HA -0.190 4.160 4.350 -0.001 0.000 0.197 457 E C 2.143 178.798 176.600 0.093 0.000 1.007 457 E CA 1.313 57.777 56.400 0.106 0.000 0.849 457 E CB -0.283 29.505 29.700 0.147 0.000 0.774 457 E HN 0.641 nan 8.360 nan 0.000 0.506 458 L N 0.313 121.602 121.223 0.111 0.000 2.209 458 L HA 0.118 4.457 4.340 -0.001 0.000 0.207 458 L C 2.349 179.250 176.870 0.052 0.000 1.094 458 L CA 1.045 55.937 54.840 0.086 0.000 0.790 458 L CB -0.022 42.101 42.059 0.106 0.000 0.932 458 L HN 0.154 nan 8.230 nan 0.000 0.447 459 A N -1.012 121.841 122.820 0.054 0.000 1.943 459 A HA -0.001 4.318 4.320 -0.001 0.000 0.213 459 A C 2.049 179.647 177.584 0.023 0.000 1.181 459 A CA 1.084 53.141 52.037 0.033 0.000 0.653 459 A CB -0.556 18.468 19.000 0.040 0.000 0.833 459 A HN 0.228 nan 8.150 nan 0.000 0.451 460 V N 0.079 120.008 119.914 0.025 0.000 2.626 460 V HA -0.124 3.995 4.120 -0.001 0.000 0.252 460 V C 2.639 178.744 176.094 0.018 0.000 1.067 460 V CA 1.735 64.046 62.300 0.017 0.000 1.081 460 V CB -1.108 30.724 31.823 0.015 0.000 0.686 460 V HN 0.585 nan 8.190 nan 0.000 0.468 461 G N -0.009 108.805 108.800 0.025 0.000 2.404 461 G HA2 -0.143 3.816 3.960 -0.001 0.000 0.214 461 G HA3 -0.143 3.816 3.960 -0.001 0.000 0.214 461 G C 1.556 176.464 174.900 0.013 0.000 1.189 461 G CA 0.670 45.783 45.100 0.021 0.000 0.789 461 G HN 0.451 nan 8.290 nan 0.000 0.533 462 I N 1.635 122.212 120.570 0.011 0.000 2.264 462 I HA -0.227 3.942 4.170 -0.001 0.000 0.248 462 I C 3.261 179.378 176.117 0.001 0.000 1.111 462 I CA 0.947 62.248 61.300 0.003 0.000 1.382 462 I CB -0.156 37.842 38.000 -0.003 0.000 1.060 462 I HN 0.253 nan 8.210 nan 0.000 0.418 463 A N 0.777 123.599 122.820 0.003 0.000 1.858 463 A HA -0.171 4.148 4.320 -0.001 0.000 0.216 463 A C 2.558 180.143 177.584 0.002 0.000 1.190 463 A CA 1.925 53.962 52.037 0.001 0.000 0.617 463 A CB -0.954 18.048 19.000 0.004 0.000 0.827 463 A HN 0.418 nan 8.150 nan 0.000 0.443 464 A N -0.710 122.113 122.820 0.005 0.000 1.972 464 A HA -0.132 4.188 4.320 -0.001 0.000 0.219 464 A C 1.886 179.472 177.584 0.004 0.000 1.169 464 A CA 1.622 53.662 52.037 0.005 0.000 0.635 464 A CB -0.443 18.562 19.000 0.008 0.000 0.810 464 A HN 0.483 nan 8.150 nan 0.000 0.446 465 E N 0.278 120.481 120.200 0.004 0.000 2.160 465 E HA -0.143 4.206 4.350 -0.001 0.000 0.195 465 E C 0.733 177.333 176.600 -0.000 0.000 0.991 465 E CA 0.926 57.327 56.400 0.002 0.000 0.810 465 E CB -0.102 29.599 29.700 0.001 0.000 0.742 465 E HN 0.394 nan 8.360 nan 0.000 0.466 466 K N -0.129 120.270 120.400 -0.001 0.000 2.577 466 K HA 0.157 4.477 4.320 -0.001 0.000 0.210 466 K C 0.480 177.079 176.600 -0.002 0.000 1.048 466 K CA 0.246 56.532 56.287 -0.003 0.000 1.188 466 K CB 0.404 32.901 32.500 -0.005 0.000 0.910 466 K HN 0.176 nan 8.250 nan 0.000 0.483 467 G N 1.579 110.378 108.800 -0.000 0.000 2.323 467 G HA2 -0.292 3.668 3.960 -0.001 0.000 0.292 467 G HA3 -0.292 3.668 3.960 -0.001 0.000 0.292 467 G C 0.145 175.045 174.900 0.000 0.000 1.040 467 G CA 0.497 45.597 45.100 0.000 0.000 0.942 467 G HN 0.497 nan 8.290 nan 0.000 0.506 468 A N -0.661 122.160 122.820 0.001 0.000 2.306 468 A HA 0.784 5.103 4.320 -0.001 0.000 0.330 468 A C 0.324 177.909 177.584 0.002 0.000 1.146 468 A CA -0.260 51.777 52.037 0.001 0.000 0.827 468 A CB 0.915 19.915 19.000 -0.000 0.000 1.178 468 A HN 0.651 nan 8.150 nan 0.000 0.490 469 E N 0.649 120.850 120.200 0.002 0.000 2.104 469 E HA 0.430 4.780 4.350 -0.001 0.000 0.278 469 E C -0.863 175.739 176.600 0.003 0.000 1.127 469 E CA 0.429 56.831 56.400 0.002 0.000 0.897 469 E CB 0.411 30.113 29.700 0.002 0.000 1.043 469 E HN 0.769 nan 8.360 nan 0.000 0.410 470 V N 4.165 124.081 119.914 0.003 0.000 3.177 470 V HA 0.489 4.608 4.120 -0.001 0.000 0.287 470 V C -1.744 174.353 176.094 0.004 0.000 1.465 470 V CA -0.333 61.969 62.300 0.003 0.000 1.020 470 V CB 1.852 33.677 31.823 0.004 0.000 1.152 470 V HN 0.865 nan 8.190 nan 0.000 0.448 474 K N 1.280 121.679 120.400 -0.003 0.000 2.412 474 K HA 0.118 4.438 4.320 -0.001 0.000 0.281 474 K C -0.176 176.428 176.600 0.005 0.000 1.027 474 K CA 0.282 56.572 56.287 0.005 0.000 0.989 474 K CB -0.080 32.424 32.500 0.007 0.000 0.935 474 K HN 0.415 nan 8.250 nan 0.000 0.475 475 D N 3.281 123.693 120.400 0.019 0.000 2.701 475 D HA -0.260 4.379 4.640 -0.001 0.000 0.235 475 D C 0.718 177.026 176.300 0.014 0.000 1.155 475 D CA 0.936 54.955 54.000 0.032 0.000 0.649 475 D CB -1.009 39.807 40.800 0.026 0.000 1.050 475 D HN 0.734 nan 8.370 nan 0.000 0.425 476 I N -1.230 119.321 120.570 -0.031 0.000 2.226 476 I HA -0.313 3.856 4.170 -0.001 0.000 0.245 476 I C 2.026 178.056 176.117 -0.146 0.000 1.100 476 I CA 1.338 62.566 61.300 -0.119 0.000 1.374 476 I CB -0.008 37.859 38.000 -0.221 0.000 1.057 476 I HN 0.133 nan 8.210 nan 0.000 0.413 477 Y N 0.627 120.906 120.300 -0.035 0.000 2.200 477 Y HA -0.148 4.402 4.550 -0.001 0.000 0.290 477 Y C 2.610 178.498 175.900 -0.021 0.000 1.137 477 Y CA 1.213 59.274 58.100 -0.064 0.000 1.163 477 Y CB -0.436 37.984 38.460 -0.066 0.000 0.988 477 Y HN 0.254 nan 8.280 nan 0.000 0.518 478 A N -0.095 122.817 122.820 0.152 0.000 1.972 478 A HA -0.243 4.076 4.320 -0.001 0.000 0.219 478 A C 1.965 179.598 177.584 0.081 0.000 1.169 478 A CA 1.947 54.045 52.037 0.101 0.000 0.635 478 A CB -0.553 18.490 19.000 0.071 0.000 0.810 478 A HN 0.453 nan 8.150 nan 0.000 0.446 479 E N 0.127 120.360 120.200 0.055 0.000 2.047 479 E HA -0.090 4.260 4.350 -0.001 0.000 0.191 479 E C 1.833 178.479 176.600 0.076 0.000 0.987 479 E CA 1.146 57.571 56.400 0.042 0.000 0.799 479 E CB -0.342 29.365 29.700 0.011 0.000 0.752 479 E HN 0.587 nan 8.360 nan 0.000 0.449 480 L N -0.085 121.187 121.223 0.081 0.000 2.056 480 L HA -0.105 4.235 4.340 -0.001 0.000 0.207 480 L C 2.531 179.564 176.870 0.273 0.000 1.078 480 L CA 1.152 56.090 54.840 0.164 0.000 0.749 480 L CB -0.557 41.536 42.059 0.057 0.000 0.901 480 L HN 0.222 nan 8.230 nan 0.000 0.433 481 A N -0.159 122.791 122.820 0.216 0.000 1.902 481 A HA -0.241 4.079 4.320 -0.001 0.000 0.217 481 A C 2.385 180.080 177.584 0.186 0.000 1.181 481 A CA 1.765 53.939 52.037 0.228 0.000 0.623 481 A CB -0.432 18.665 19.000 0.161 0.000 0.818 481 A HN 0.289 nan 8.150 nan 0.000 0.443 482 K N -0.968 119.506 120.400 0.123 0.000 2.147 482 K HA -0.117 4.202 4.320 -0.001 0.000 0.205 482 K C 2.041 178.659 176.600 0.030 0.000 1.049 482 K CA 0.868 57.195 56.287 0.066 0.000 0.936 482 K CB -0.081 32.442 32.500 0.039 0.000 0.722 482 K HN 0.162 nan 8.250 nan 0.000 0.446 483 R N 0.325 120.855 120.500 0.048 0.000 2.339 483 R HA -0.042 4.297 4.340 -0.001 0.000 0.199 483 R C -0.095 175.964 176.300 -0.402 0.000 1.018 483 R CA 0.949 56.980 56.100 -0.115 0.000 1.036 483 R CB -0.086 30.182 30.300 -0.054 0.000 0.899 483 R HN 0.325 nan 8.270 nan 0.000 0.473 484 H N -2.033 116.990 119.070 -0.078 0.000 2.924 484 H HA 0.138 4.693 4.556 -0.001 0.000 0.229 484 H C 0.784 176.199 175.328 0.145 0.000 1.345 484 H CA 0.075 56.086 56.048 -0.063 0.000 1.044 484 H CB 0.810 30.327 29.762 -0.407 0.000 2.221 484 H HN 0.048 nan 8.280 nan 0.000 0.574 485 S N -0.550 115.243 115.700 0.154 0.000 2.497 485 S HA 0.102 4.572 4.470 -0.001 0.000 0.221 485 S C 0.827 175.399 174.600 -0.047 0.000 1.037 485 S CA -0.266 58.021 58.200 0.145 0.000 0.920 485 S CB 0.556 63.791 63.200 0.058 0.000 0.800 485 S HN 0.448 nan 8.310 nan 0.000 0.505 486 K N 0.241 120.481 120.400 -0.266 0.000 2.433 486 K HA 0.820 5.140 4.320 -0.001 0.000 0.252 486 K C -0.904 175.229 176.600 -0.778 0.000 1.015 486 K CA -0.952 54.984 56.287 -0.585 0.000 0.860 486 K CB 1.462 33.775 32.500 -0.312 0.000 1.359 486 K HN 0.034 nan 8.250 nan 0.000 0.452 487 A N 1.447 123.825 122.820 -0.738 0.000 2.488 487 A HA 0.121 4.440 4.320 -0.001 0.000 0.249 487 A C -0.231 177.224 177.584 -0.214 0.000 1.083 487 A CA -0.221 51.557 52.037 -0.431 0.000 0.768 487 A CB -0.318 18.512 19.000 -0.283 0.000 1.017 487 A HN 0.736 nan 8.150 nan 0.000 0.496 488 E N 0.878 121.012 120.200 -0.110 0.000 2.442 488 E HA 0.028 4.378 4.350 -0.001 0.000 0.260 488 E C 0.045 176.599 176.600 -0.075 0.000 1.148 488 E CA 0.080 56.428 56.400 -0.086 0.000 0.976 488 E CB 0.456 30.128 29.700 -0.048 0.000 0.967 488 E HN 0.574 nan 8.360 nan 0.000 0.454 489 K N 1.561 121.921 120.400 -0.068 0.000 2.292 489 K HA 0.128 4.448 4.320 -0.001 0.000 0.290 489 K C -1.206 175.371 176.600 -0.037 0.000 1.083 489 K CA -0.305 55.948 56.287 -0.056 0.000 0.918 489 K CB 0.370 32.837 32.500 -0.056 0.000 1.089 489 K HN 0.172 nan 8.250 nan 0.000 0.473 490 V N 5.096 124.993 119.914 -0.029 0.000 2.405 490 V HA -0.000 4.120 4.120 -0.001 0.000 0.264 490 V C 1.089 177.177 176.094 -0.011 0.000 1.048 490 V CA -0.294 61.997 62.300 -0.014 0.000 0.966 490 V CB 0.973 32.793 31.823 -0.005 0.000 1.015 490 V HN 0.803 nan 8.190 nan 0.000 0.477 491 Q N 2.781 122.575 119.800 -0.009 0.000 2.515 491 Q HA -0.047 4.293 4.340 -0.001 0.000 0.212 491 Q C 0.611 176.613 176.000 0.002 0.000 0.970 491 Q CA 0.586 56.385 55.803 -0.006 0.000 0.941 491 Q CB -0.169 28.565 28.738 -0.007 0.000 0.998 491 Q HN 0.744 nan 8.270 nan 0.000 0.518 492 E N 1.052 121.256 120.200 0.006 0.000 1.939 492 E HA 0.072 4.421 4.350 -0.001 0.000 0.259 492 E C -0.808 175.800 176.600 0.014 0.000 1.259 492 E CA 0.360 56.769 56.400 0.015 0.000 0.971 492 E CB 0.037 29.750 29.700 0.022 0.000 1.055 492 E HN 0.135 nan 8.360 nan 0.000 0.420 493 K N 1.618 122.026 120.400 0.013 0.000 2.395 493 K HA 0.349 4.669 4.320 -0.001 0.000 0.245 493 K C -0.203 176.406 176.600 0.014 0.000 1.017 493 K CA -1.330 54.963 56.287 0.011 0.000 0.852 493 K CB 1.712 34.214 32.500 0.003 0.000 1.311 493 K HN 0.133 nan 8.250 nan 0.000 0.452 494 K N 1.318 121.725 120.400 0.012 0.000 2.599 494 K HA -0.132 4.187 4.320 -0.001 0.000 0.275 494 K C -0.833 175.780 176.600 0.022 0.000 0.983 494 K CA 0.821 57.116 56.287 0.013 0.000 1.076 494 K CB 0.096 32.603 32.500 0.012 0.000 0.822 494 K HN 0.387 nan 8.250 nan 0.000 0.485 495 I N 3.421 124.003 120.570 0.020 0.000 2.433 495 I HA 0.161 4.331 4.170 -0.001 0.000 0.292 495 I C -0.533 175.610 176.117 0.043 0.000 1.001 495 I CA -0.724 60.600 61.300 0.040 0.000 1.119 495 I CB 2.187 40.202 38.000 0.024 0.000 1.289 495 I HN 0.579 nan 8.210 nan 0.000 0.438 496 T N 7.132 121.725 114.554 0.065 0.000 2.893 496 T HA 0.446 4.796 4.350 -0.001 0.000 0.324 496 T C 0.035 174.795 174.700 0.099 0.000 1.082 496 T CA -0.506 61.635 62.100 0.068 0.000 0.983 496 T CB 0.315 69.214 68.868 0.052 0.000 1.005 496 T HN 0.271 nan 8.240 nan 0.000 0.475 497 L N 3.012 124.307 121.223 0.120 0.000 2.485 497 L HA 0.103 4.443 4.340 -0.001 0.000 0.275 497 L C 2.050 179.010 176.870 0.150 0.000 1.207 497 L CA -0.086 54.861 54.840 0.177 0.000 0.855 497 L CB 0.493 42.691 42.059 0.233 0.000 1.114 497 L HN 0.669 nan 8.230 nan 0.000 0.485 498 Q N 1.211 121.098 119.800 0.145 0.000 2.291 498 Q HA -0.095 4.244 4.340 -0.001 0.000 0.206 498 Q C -0.188 175.853 176.000 0.068 0.000 0.976 498 Q CA 1.002 56.861 55.803 0.092 0.000 0.875 498 Q CB 0.081 28.865 28.738 0.077 0.000 0.927 498 Q HN 0.594 nan 8.270 nan 0.000 0.450 499 N N 0.343 119.104 118.700 0.101 0.000 2.335 499 N HA 0.129 4.868 4.740 -0.001 0.000 0.304 499 N C -1.315 174.136 175.510 -0.098 0.000 1.135 499 N CA -0.473 52.541 53.050 -0.061 0.000 0.817 499 N CB 1.472 39.828 38.487 -0.219 0.000 1.294 499 N HN 0.013 nan 8.380 nan 0.000 0.497 500 E N 1.420 121.499 120.200 -0.201 0.000 2.229 500 E HA 0.200 4.549 4.350 -0.001 0.000 0.283 500 E C -1.117 175.324 176.600 -0.265 0.000 1.030 500 E CA -0.149 56.184 56.400 -0.112 0.000 0.836 500 E CB 0.472 30.131 29.700 -0.068 0.000 1.068 500 E HN 0.459 nan 8.360 nan 0.000 0.401 501 Y N 3.005 123.316 120.300 0.019 0.000 2.570 501 Y HA 0.396 4.946 4.550 -0.001 0.000 0.345 501 Y C -1.840 174.068 175.900 0.014 0.000 1.014 501 Y CA -2.143 55.968 58.100 0.019 0.000 1.063 501 Y CB 1.471 39.945 38.460 0.023 0.000 1.272 501 Y HN 0.501 nan 8.280 nan 0.000 0.477 502 P HA 0.272 nan 4.420 nan 0.000 0.281 502 P C -0.881 176.473 177.300 0.090 0.000 1.252 502 P CA -0.301 62.860 63.100 0.101 0.000 0.778 502 P CB 1.095 32.842 31.700 0.078 0.000 0.895 503 A N 3.865 126.720 122.820 0.059 0.000 2.592 503 A HA 0.032 4.352 4.320 -0.001 0.000 0.250 503 A C 0.752 178.351 177.584 0.026 0.000 1.017 503 A CA 0.564 52.623 52.037 0.037 0.000 0.794 503 A CB -1.026 17.987 19.000 0.022 0.000 0.917 503 A HN 0.599 nan 8.150 nan 0.000 0.515 504 T N 2.578 117.141 114.554 0.014 0.000 2.946 504 T HA 0.059 4.409 4.350 -0.001 0.000 0.311 504 T C 0.595 175.283 174.700 -0.020 0.000 1.063 504 T CA 0.346 62.447 62.100 0.002 0.000 1.139 504 T CB 0.299 69.162 68.868 -0.008 0.000 0.994 504 T HN 0.687 nan 8.240 nan 0.000 0.547 505 E N 2.941 123.126 120.200 -0.025 0.000 1.865 505 E HA 0.051 4.400 4.350 -0.001 0.000 0.269 505 E C -0.310 176.216 176.600 -0.122 0.000 1.177 505 E CA -0.327 56.045 56.400 -0.047 0.000 0.932 505 E CB 0.178 29.863 29.700 -0.025 0.000 1.066 505 E HN 0.404 nan 8.360 nan 0.000 0.405 506 K N 4.385 124.675 120.400 -0.184 0.000 2.412 506 K HA 0.066 4.386 4.320 -0.001 0.000 0.284 506 K C 0.840 177.172 176.600 -0.447 0.000 1.046 506 K CA 0.034 56.038 56.287 -0.472 0.000 0.999 506 K CB 0.829 32.817 32.500 -0.853 0.000 0.941 506 K HN 0.570 nan 8.250 nan 0.000 0.474 507 L N 2.783 123.748 121.223 -0.430 0.000 2.554 507 L HA -0.006 4.334 4.340 -0.001 0.000 0.225 507 L C 1.584 178.331 176.870 -0.205 0.000 1.104 507 L CA 0.047 54.737 54.840 -0.250 0.000 0.866 507 L CB -0.141 41.784 42.059 -0.222 0.000 1.047 507 L HN 0.703 nan 8.230 nan 0.000 0.468 508 Y N -2.682 117.487 120.300 -0.218 0.000 2.509 508 Y HA -0.070 4.480 4.550 -0.001 0.000 0.293 508 Y C 2.139 177.929 175.900 -0.183 0.000 1.133 508 Y CA 0.038 58.009 58.100 -0.216 0.000 1.283 508 Y CB -1.204 37.120 38.460 -0.227 0.000 1.001 508 Y HN -0.056 nan 8.280 nan 0.000 0.555 509 Y N 1.667 121.839 120.300 -0.213 0.000 2.097 509 Y HA -0.222 4.327 4.550 -0.001 0.000 0.282 509 Y C 2.117 177.933 175.900 -0.139 0.000 1.152 509 Y CA 1.476 59.496 58.100 -0.133 0.000 1.136 509 Y CB -0.829 37.620 38.460 -0.018 0.000 0.975 509 Y HN 0.201 nan 8.280 nan 0.000 0.498 510 D N -0.980 119.553 120.400 0.221 0.000 2.103 510 D HA -0.089 4.550 4.640 -0.001 0.000 0.199 510 D C 0.204 176.712 176.300 0.347 0.000 0.978 510 D CA 1.277 55.476 54.000 0.332 0.000 0.829 510 D CB -0.077 40.877 40.800 0.256 0.000 0.981 510 D HN 0.214 nan 8.370 nan 0.000 0.464 511 D N -0.502 120.000 120.400 0.171 0.000 2.505 511 D HA 0.127 4.766 4.640 -0.001 0.000 0.250 511 D C -1.886 174.429 176.300 0.024 0.000 1.164 511 D CA -1.859 52.234 54.000 0.156 0.000 0.870 511 D CB 2.514 43.389 40.800 0.125 0.000 1.160 511 D HN -0.102 nan 8.370 nan 0.000 0.549 512 P HA -0.057 nan 4.420 nan 0.000 0.226 512 P C 0.893 178.058 177.300 -0.225 0.000 1.153 512 P CA 0.744 63.715 63.100 -0.216 0.000 0.777 512 P CB 0.217 31.729 31.700 -0.314 0.000 0.794 513 T N -3.777 110.730 114.554 -0.079 0.000 3.069 513 T HA 0.178 4.527 4.350 -0.001 0.000 0.252 513 T C 0.670 175.381 174.700 0.019 0.000 1.053 513 T CA -0.391 61.695 62.100 -0.022 0.000 0.964 513 T CB -0.666 68.286 68.868 0.140 0.000 1.005 513 T HN -0.117 nan 8.240 nan 0.000 0.532 514 L N 2.761 123.987 121.223 0.005 0.000 2.505 514 L HA 0.386 4.725 4.340 -0.001 0.000 0.279 514 L C 0.832 177.707 176.870 0.009 0.000 1.211 514 L CA -0.205 54.654 54.840 0.032 0.000 1.059 514 L CB -0.536 41.546 42.059 0.039 0.000 1.340 514 L HN 0.289 nan 8.230 nan 0.000 0.447 515 L N 2.130 123.361 121.223 0.012 0.000 2.446 515 L HA 0.225 4.564 4.340 -0.001 0.000 0.219 515 L C 0.592 177.472 176.870 0.017 0.000 1.116 515 L CA 0.246 55.066 54.840 -0.034 0.000 0.844 515 L CB -0.094 41.944 42.059 -0.034 0.000 0.970 515 L HN 0.541 nan 8.230 nan 0.000 0.457 516 E N 0.234 120.483 120.200 0.083 0.000 2.238 516 E HA 0.569 4.918 4.350 -0.001 0.000 0.267 516 E C -1.301 175.429 176.600 0.217 0.000 0.887 516 E CA -0.590 55.860 56.400 0.085 0.000 0.769 516 E CB 2.346 32.056 29.700 0.017 0.000 1.187 516 E HN 0.001 nan 8.360 nan 0.000 0.416 517 F N -0.880 119.080 119.950 0.016 0.000 2.779 517 F HA 0.566 5.093 4.527 -0.001 0.000 0.316 517 F C -1.221 174.606 175.800 0.044 0.000 1.164 517 F CA -1.120 56.900 58.000 0.034 0.000 0.924 517 F CB 1.303 40.330 39.000 0.044 0.000 1.348 517 F HN 0.049 nan 8.300 nan 0.000 0.467 518 E N 1.305 121.583 120.200 0.130 0.000 2.187 518 E HA 0.735 5.085 4.350 -0.001 0.000 0.268 518 E C -0.947 175.763 176.600 0.183 0.000 0.896 518 E CA -0.779 55.629 56.400 0.013 0.000 0.766 518 E CB 1.929 31.651 29.700 0.037 0.000 1.142 518 E HN 1.012 nan 8.360 nan 0.000 0.408 519 A N 2.457 125.334 122.820 0.095 0.000 2.583 519 A HA 0.640 4.960 4.320 -0.001 0.000 0.289 519 A C -1.137 176.492 177.584 0.076 0.000 1.151 519 A CA -0.672 51.470 52.037 0.176 0.000 0.695 519 A CB 1.858 21.086 19.000 0.380 0.000 1.290 519 A HN 0.517 nan 8.150 nan 0.000 0.419 520 E N 0.066 120.313 120.200 0.078 0.000 2.248 520 E HA 0.527 4.877 4.350 -0.001 0.000 0.267 520 E C -1.417 175.210 176.600 0.045 0.000 0.877 520 E CA -0.696 55.734 56.400 0.050 0.000 0.759 520 E CB 1.959 31.689 29.700 0.051 0.000 1.182 520 E HN 0.428 nan 8.360 nan 0.000 0.418 521 V N 6.631 126.567 119.914 0.036 0.000 2.400 521 V HA -0.005 4.114 4.120 -0.001 0.000 0.263 521 V C 1.036 177.164 176.094 0.058 0.000 1.026 521 V CA 0.543 62.861 62.300 0.031 0.000 1.077 521 V CB -0.567 31.281 31.823 0.041 0.000 1.054 521 V HN 0.600 nan 8.190 nan 0.000 0.477 522 I N 1.899 122.510 120.570 0.069 0.000 3.884 522 I HA 0.740 4.910 4.170 -0.001 0.000 0.330 522 I C 0.666 176.923 176.117 0.234 0.000 1.451 522 I CA 0.023 61.402 61.300 0.132 0.000 1.165 522 I CB 0.107 38.196 38.000 0.149 0.000 1.097 522 I HN 0.595 nan 8.210 nan 0.000 0.404 523 G N 0.229 109.123 108.800 0.157 0.000 2.386 523 G HA2 0.415 4.375 3.960 -0.001 0.000 0.302 523 G HA3 0.415 4.375 3.960 -0.001 0.000 0.302 523 G C -1.681 173.264 174.900 0.075 0.000 1.629 523 G CA -0.568 44.670 45.100 0.230 0.000 0.917 523 G HN -0.019 nan 8.290 nan 0.000 0.676 524 V N 1.285 121.269 119.914 0.116 0.000 2.532 524 V HA 0.509 4.628 4.120 -0.001 0.000 0.294 524 V C -0.494 175.653 176.094 0.088 0.000 1.036 524 V CA -0.670 61.673 62.300 0.070 0.000 0.876 524 V CB 1.654 33.499 31.823 0.037 0.000 1.012 524 V HN 0.759 nan 8.190 nan 0.000 0.432 525 E N 3.223 123.484 120.200 0.103 0.000 2.182 525 E HA 0.590 4.939 4.350 -0.001 0.000 0.258 525 E C 0.835 177.402 176.600 -0.054 0.000 0.879 525 E CA 0.233 56.681 56.400 0.080 0.000 0.754 525 E CB 2.075 31.881 29.700 0.177 0.000 1.162 525 E HN 0.914 nan 8.360 nan 0.000 0.419 526 G N 4.625 113.362 108.800 -0.105 0.000 2.620 526 G HA2 -0.428 3.531 3.960 -0.001 0.000 0.315 526 G HA3 -0.428 3.531 3.960 -0.001 0.000 0.315 526 G C 0.447 175.235 174.900 -0.187 0.000 1.179 526 G CA 0.942 45.924 45.100 -0.198 0.000 0.971 526 G HN 0.634 nan 8.290 nan 0.000 0.544 527 D N 0.700 120.919 120.400 -0.301 0.000 2.379 527 D HA 0.304 4.944 4.640 -0.001 0.000 0.208 527 D C 0.484 176.808 176.300 0.040 0.000 1.065 527 D CA -0.150 53.762 54.000 -0.146 0.000 0.848 527 D CB 0.095 40.806 40.800 -0.148 0.000 0.949 527 D HN 0.187 nan 8.370 nan 0.000 0.509 528 F N 1.951 121.884 119.950 -0.028 0.000 2.541 528 F HA 0.161 4.688 4.527 -0.001 0.000 0.347 528 F C 0.488 176.266 175.800 -0.036 0.000 1.242 528 F CA -1.322 56.659 58.000 -0.032 0.000 1.123 528 F CB -0.561 38.412 39.000 -0.044 0.000 1.354 528 F HN -0.270 nan 8.300 nan 0.000 0.621 529 V N 5.580 125.596 119.914 0.170 0.000 2.488 529 V HA 0.199 4.318 4.120 -0.001 0.000 0.277 529 V C 0.495 176.611 176.094 0.037 0.000 1.046 529 V CA -0.358 61.979 62.300 0.061 0.000 0.986 529 V CB 0.929 32.764 31.823 0.020 0.000 0.989 529 V HN 0.373 nan 8.190 nan 0.000 0.475 530 I N 6.244 126.785 120.570 -0.049 0.000 2.406 530 I HA 0.496 4.666 4.170 -0.001 0.000 0.290 530 I C -0.248 175.815 176.117 -0.089 0.000 0.999 530 I CA -0.325 60.912 61.300 -0.105 0.000 1.124 530 I CB 1.577 39.367 38.000 -0.351 0.000 1.289 530 I HN 0.403 nan 8.210 nan 0.000 0.441 531 L N 4.615 125.796 121.223 -0.070 0.000 2.299 531 L HA 0.503 4.843 4.340 -0.001 0.000 0.268 531 L C 1.130 178.022 176.870 0.036 0.000 1.012 531 L CA -0.863 53.967 54.840 -0.016 0.000 0.816 531 L CB 0.932 42.982 42.059 -0.016 0.000 1.355 531 L HN 0.614 nan 8.230 nan 0.000 0.457 532 N N 0.730 119.469 118.700 0.066 0.000 2.336 532 N HA -0.050 4.690 4.740 -0.001 0.000 0.177 532 N C 0.076 175.618 175.510 0.054 0.000 1.018 532 N CA 0.313 53.403 53.050 0.066 0.000 0.878 532 N CB 0.244 38.773 38.487 0.070 0.000 0.997 532 N HN 0.652 nan 8.380 nan 0.000 0.433 533 R N -1.364 119.178 120.500 0.071 0.000 2.668 533 R HA 0.677 5.016 4.340 -0.001 0.000 0.272 533 R C -1.514 174.748 176.300 -0.063 0.000 1.019 533 R CA -0.823 55.282 56.100 0.008 0.000 0.894 533 R CB 1.676 31.988 30.300 0.019 0.000 1.228 533 R HN -0.029 nan 8.270 nan 0.000 0.460 534 S N 0.168 115.686 115.700 -0.303 0.000 2.537 534 S HA 0.569 5.038 4.470 -0.001 0.000 0.271 534 S C -0.579 173.613 174.600 -0.681 0.000 1.148 534 S CA -0.070 57.682 58.200 -0.747 0.000 0.868 534 S CB 1.937 65.192 63.200 0.092 0.000 1.115 534 S HN 0.836 nan 8.310 nan 0.000 0.461 535 A N 2.547 124.757 122.820 -1.015 0.000 2.238 535 A HA 0.423 4.743 4.320 -0.001 0.000 0.210 535 A C 0.100 177.634 177.584 -0.085 0.000 1.179 535 A CA 0.005 51.820 52.037 -0.369 0.000 0.827 535 A CB -0.399 18.428 19.000 -0.288 0.000 0.856 535 A HN 0.619 nan 8.150 nan 0.000 0.488 536 F N -0.200 119.741 119.950 -0.014 0.000 2.543 536 F HA 0.216 4.743 4.527 -0.000 0.000 0.375 536 F C 0.338 176.108 175.800 -0.050 0.000 1.075 536 F CA 0.197 58.207 58.000 0.016 0.000 1.225 536 F CB 0.020 39.031 39.000 0.018 0.000 1.099 536 F HN 0.314 nan 8.300 nan 0.000 0.561 537 Y N 6.846 127.035 120.300 -0.185 0.000 2.336 537 Y HA 0.320 4.870 4.550 -0.000 0.000 0.335 537 Y C -2.230 173.509 175.900 -0.268 0.000 1.046 537 Y CA -2.906 54.897 58.100 -0.496 0.000 1.198 537 Y CB 0.578 38.634 38.460 -0.672 0.000 1.182 537 Y HN 0.325 nan 8.280 nan 0.000 0.502 538 P HA 0.006 nan 4.420 nan 0.000 0.282 538 P C -0.700 176.278 177.300 -0.537 0.000 1.249 538 P CA -0.357 62.445 63.100 -0.497 0.000 0.806 538 P CB 1.076 32.532 31.700 -0.406 0.000 0.984 539 E N 2.009 122.039 120.200 -0.282 0.000 2.562 539 E HA 0.084 4.434 4.350 -0.001 0.000 0.241 539 E C 0.059 176.545 176.600 -0.189 0.000 1.136 539 E CA 0.861 57.119 56.400 -0.236 0.000 0.952 539 E CB -0.409 29.185 29.700 -0.176 0.000 0.975 539 E HN 0.565 nan 8.360 nan 0.000 0.494 540 S N 1.433 117.049 115.700 -0.139 0.000 2.714 540 S HA 0.676 5.146 4.470 -0.001 0.000 0.280 540 S C 0.915 175.607 174.600 0.152 0.000 1.200 540 S CA -0.214 57.983 58.200 -0.006 0.000 0.900 540 S CB 0.823 63.965 63.200 -0.096 0.000 1.235 540 S HN 0.584 nan 8.310 nan 0.000 0.512 541 G N 1.049 109.960 108.800 0.185 0.000 2.774 541 G HA2 -0.117 3.843 3.960 -0.001 0.000 0.342 541 G HA3 -0.117 3.843 3.960 -0.001 0.000 0.342 541 G C 0.934 175.936 174.900 0.170 0.000 1.185 541 G CA 1.300 46.536 45.100 0.228 0.000 0.956 541 G HN 2.085 nan 8.290 nan 0.000 0.561 542 G N -0.273 108.548 108.800 0.035 0.000 2.663 542 G HA2 0.496 4.455 3.960 -0.001 0.000 0.200 542 G HA3 0.496 4.455 3.960 -0.001 0.000 0.200 542 G C 0.628 175.501 174.900 -0.044 0.000 1.114 542 G CA 1.090 46.163 45.100 -0.045 0.000 0.861 542 G HN 1.081 nan 8.290 nan 0.000 0.702 543 Q N 0.843 120.486 119.800 -0.262 0.000 2.227 543 Q HA 0.573 4.912 4.340 -0.001 0.000 0.245 543 Q C -1.206 174.442 176.000 -0.586 0.000 0.926 543 Q CA -0.743 54.838 55.803 -0.370 0.000 0.895 543 Q CB 1.700 30.222 28.738 -0.359 0.000 1.230 543 Q HN -0.045 nan 8.270 nan 0.000 0.450 544 D N 0.764 120.612 120.400 -0.920 0.000 2.398 544 D HA 0.057 4.697 4.640 -0.001 0.000 0.247 544 D C -0.591 175.525 176.300 -0.306 0.000 1.227 544 D CA -0.207 53.217 54.000 -0.960 0.000 0.980 544 D CB 0.637 40.924 40.800 -0.855 0.000 1.106 544 D HN 0.703 nan 8.370 nan 0.000 0.493 545 N N 0.362 118.958 118.700 -0.172 0.000 2.503 545 N HA 0.114 4.853 4.740 -0.001 0.000 0.267 545 N C -0.425 175.155 175.510 0.117 0.000 1.214 545 N CA -0.420 52.636 53.050 0.010 0.000 0.959 545 N CB 0.551 39.005 38.487 -0.055 0.000 1.142 545 N HN 0.146 nan 8.380 nan 0.000 0.455 546 D N -0.101 120.367 120.400 0.114 0.000 2.369 546 D HA 0.290 4.929 4.640 -0.001 0.000 0.241 546 D C -0.606 175.786 176.300 0.153 0.000 1.271 546 D CA 0.048 54.095 54.000 0.078 0.000 0.942 546 D CB 0.989 41.811 40.800 0.035 0.000 1.129 546 D HN 0.245 nan 8.370 nan 0.000 0.476 547 V N -0.179 119.814 119.914 0.132 0.000 2.711 547 V HA 0.673 4.792 4.120 -0.001 0.000 0.304 547 V C 0.517 176.740 176.094 0.215 0.000 1.097 547 V CA -0.271 62.144 62.300 0.191 0.000 0.906 547 V CB 1.742 33.626 31.823 0.102 0.000 1.015 547 V HN 0.779 nan 8.190 nan 0.000 0.427 548 G N 3.563 112.586 108.800 0.373 0.000 2.529 548 G HA2 0.692 4.651 3.960 -0.001 0.000 0.238 548 G HA3 0.692 4.651 3.960 -0.001 0.000 0.238 548 G C -1.771 173.304 174.900 0.291 0.000 1.207 548 G CA 0.130 45.369 45.100 0.231 0.000 0.928 548 G HN 1.158 nan 8.290 nan 0.000 0.495 549 Y N -1.572 118.939 120.300 0.352 0.000 2.656 549 Y HA 0.782 5.332 4.550 -0.001 0.000 0.334 549 Y C -1.335 174.659 175.900 0.156 0.000 1.179 549 Y CA -1.754 56.463 58.100 0.194 0.000 1.050 549 Y CB 1.066 39.595 38.460 0.115 0.000 1.308 549 Y HN 0.471 nan 8.280 nan 0.000 0.456 550 L N 3.649 125.044 121.223 0.287 0.000 2.298 550 L HA 0.622 4.961 4.340 -0.001 0.000 0.284 550 L C -0.666 176.197 176.870 -0.012 0.000 1.013 550 L CA -0.623 54.276 54.840 0.099 0.000 0.824 550 L CB 1.346 43.430 42.059 0.043 0.000 1.221 550 L HN 0.571 nan 8.230 nan 0.000 0.418 551 I N 2.504 123.060 120.570 -0.024 0.000 2.498 551 I HA 0.858 5.027 4.170 -0.001 0.000 0.301 551 I C 0.368 176.380 176.117 -0.176 0.000 0.984 551 I CA -0.224 60.996 61.300 -0.132 0.000 1.204 551 I CB 1.877 39.855 38.000 -0.036 0.000 1.362 551 I HN 0.814 nan 8.210 nan 0.000 0.471 552 A N 3.789 126.472 122.820 -0.228 0.000 2.573 552 A HA 0.402 4.722 4.320 -0.001 0.000 0.310 552 A C -1.174 176.324 177.584 -0.144 0.000 1.142 552 A CA -0.792 51.149 52.037 -0.161 0.000 0.620 552 A CB 0.449 19.363 19.000 -0.143 0.000 1.382 552 A HN 0.658 nan 8.150 nan 0.000 0.545 553 N N 0.567 119.216 118.700 -0.087 0.000 3.210 553 N HA 0.413 5.152 4.740 -0.001 0.000 0.314 553 N C 0.565 176.045 175.510 -0.050 0.000 1.291 553 N CA 0.931 53.947 53.050 -0.057 0.000 1.202 553 N CB 0.421 38.892 38.487 -0.026 0.000 1.475 553 N HN 0.944 nan 8.380 nan 0.000 0.554 554 G N -1.754 106.982 108.800 -0.106 0.000 3.462 554 G HA2 0.458 4.417 3.960 -0.001 0.000 0.168 554 G HA3 0.458 4.417 3.960 -0.001 0.000 0.168 554 G C 0.494 175.311 174.900 -0.138 0.000 1.220 554 G CA 0.080 45.144 45.100 -0.060 0.000 0.862 554 G HN 0.655 nan 8.290 nan 0.000 0.812 555 G N 0.277 108.914 108.800 -0.272 0.000 2.253 555 G HA2 0.124 4.084 3.960 -0.001 0.000 0.190 555 G HA3 0.124 4.084 3.960 -0.001 0.000 0.190 555 G C -1.406 173.245 174.900 -0.415 0.000 1.274 555 G CA -0.397 44.546 45.100 -0.261 0.000 1.275 555 G HN 0.491 nan 8.290 nan 0.000 0.518 556 K N 0.318 120.503 120.400 -0.359 0.000 2.613 556 K HA 0.509 4.829 4.320 -0.001 0.000 0.248 556 K C -1.411 175.162 176.600 -0.045 0.000 0.959 556 K CA -0.269 55.832 56.287 -0.310 0.000 0.855 556 K CB 1.571 33.889 32.500 -0.303 0.000 1.143 556 K HN 0.316 nan 8.250 nan 0.000 0.437 557 F N 2.614 122.579 119.950 0.025 0.000 2.361 557 F HA 0.203 4.729 4.527 -0.001 0.000 0.364 557 F C 0.759 176.623 175.800 0.106 0.000 1.120 557 F CA -1.137 56.888 58.000 0.041 0.000 1.102 557 F CB 1.051 40.066 39.000 0.024 0.000 1.183 557 F HN 0.223 nan 8.300 nan 0.000 0.476 558 E N 3.418 123.787 120.200 0.282 0.000 2.299 558 E HA 0.118 4.468 4.350 -0.001 0.000 0.272 558 E C -0.358 176.357 176.600 0.191 0.000 1.043 558 E CA -0.181 56.371 56.400 0.254 0.000 0.895 558 E CB 1.746 31.557 29.700 0.184 0.000 1.011 558 E HN 0.250 nan 8.360 nan 0.000 0.432 559 V N 4.664 124.689 119.914 0.184 0.000 2.368 559 V HA 0.009 4.129 4.120 -0.001 0.000 0.266 559 V C 1.501 177.663 176.094 0.114 0.000 1.045 559 V CA -0.266 62.086 62.300 0.087 0.000 0.899 559 V CB 0.877 32.654 31.823 -0.078 0.000 1.006 559 V HN 0.590 nan 8.190 nan 0.000 0.470 560 V N 0.886 120.852 119.914 0.087 0.000 2.825 560 V HA 0.279 4.398 4.120 -0.001 0.000 0.246 560 V C 0.479 176.616 176.094 0.071 0.000 1.068 560 V CA 0.994 63.345 62.300 0.085 0.000 1.088 560 V CB 0.201 32.065 31.823 0.068 0.000 0.733 560 V HN 0.780 nan 8.190 nan 0.000 0.468 561 D N -1.568 118.864 120.400 0.054 0.000 2.570 561 D HA 0.589 5.228 4.640 -0.001 0.000 0.244 561 D C -1.473 174.820 176.300 -0.012 0.000 1.178 561 D CA -0.054 53.966 54.000 0.034 0.000 0.881 561 D CB 2.736 43.561 40.800 0.043 0.000 1.453 561 D HN 0.204 nan 8.370 nan 0.000 0.447 562 V N 3.436 123.316 119.914 -0.057 0.000 2.610 562 V HA 0.554 4.674 4.120 -0.001 0.000 0.298 562 V C -1.733 174.250 176.094 -0.185 0.000 1.067 562 V CA -0.472 61.731 62.300 -0.162 0.000 0.894 562 V CB 0.922 32.620 31.823 -0.209 0.000 1.015 562 V HN 0.527 nan 8.190 nan 0.000 0.432 563 L N 4.200 125.284 121.223 -0.232 0.000 2.558 563 L HA 0.789 5.129 4.340 -0.001 0.000 0.260 563 L C 0.015 176.709 176.870 -0.295 0.000 1.130 563 L CA -0.556 54.143 54.840 -0.235 0.000 1.049 563 L CB 1.371 43.299 42.059 -0.218 0.000 1.758 563 L HN 0.885 nan 8.230 nan 0.000 0.555 564 E N -0.862 119.182 120.200 -0.260 0.000 2.390 564 E HA 0.659 5.008 4.350 -0.001 0.000 0.280 564 E C -1.938 174.552 176.600 -0.182 0.000 0.992 564 E CA -0.621 55.643 56.400 -0.226 0.000 0.790 564 E CB 2.549 32.153 29.700 -0.160 0.000 1.248 564 E HN 0.642 nan 8.360 nan 0.000 0.447 565 A N 3.394 126.122 122.820 -0.153 0.000 2.605 565 A HA 0.444 4.764 4.320 -0.001 0.000 0.293 565 A C -0.393 177.172 177.584 -0.032 0.000 1.216 565 A CA 0.077 52.061 52.037 -0.089 0.000 0.742 565 A CB 0.456 19.396 19.000 -0.100 0.000 1.170 565 A HN 0.864 nan 8.150 nan 0.000 0.443 566 D N 1.611 122.005 120.400 -0.010 0.000 2.751 566 D HA -0.122 4.518 4.640 -0.001 0.000 0.233 566 D C 1.231 177.544 176.300 0.021 0.000 1.149 566 D CA 2.880 56.890 54.000 0.016 0.000 0.682 566 D CB -0.974 39.843 40.800 0.028 0.000 1.068 566 D HN 2.075 nan 8.370 nan 0.000 0.429 567 G N -2.565 106.241 108.800 0.010 0.000 2.238 567 G HA2 -0.214 3.745 3.960 -0.001 0.000 0.217 567 G HA3 -0.214 3.745 3.960 -0.001 0.000 0.217 567 G C 0.270 175.167 174.900 -0.005 0.000 0.996 567 G CA -0.069 45.041 45.100 0.017 0.000 0.632 567 G HN 0.854 nan 8.290 nan 0.000 0.503 568 V N 2.243 122.142 119.914 -0.026 0.000 2.383 568 V HA 0.554 4.673 4.120 -0.001 0.000 0.275 568 V C 0.836 176.857 176.094 -0.122 0.000 1.036 568 V CA -0.652 61.613 62.300 -0.059 0.000 0.889 568 V CB 1.621 33.403 31.823 -0.068 0.000 0.985 568 V HN 0.265 nan 8.190 nan 0.000 0.459 569 V N 7.167 127.018 119.914 -0.104 0.000 2.530 569 V HA 0.283 4.403 4.120 -0.001 0.000 0.282 569 V C 0.109 176.089 176.094 -0.191 0.000 1.048 569 V CA -0.216 61.987 62.300 -0.162 0.000 0.997 569 V CB 1.199 32.952 31.823 -0.117 0.000 0.987 569 V HN 0.603 nan 8.190 nan 0.000 0.477 570 L N 5.538 126.559 121.223 -0.337 0.000 2.287 570 L HA 0.491 4.831 4.340 -0.001 0.000 0.287 570 L C -0.734 175.972 176.870 -0.274 0.000 1.022 570 L CA -0.651 53.986 54.840 -0.338 0.000 0.814 570 L CB 0.821 42.379 42.059 -0.836 0.000 1.217 570 L HN 0.635 nan 8.230 nan 0.000 0.420 571 H N 2.125 121.127 119.070 -0.113 0.000 2.641 571 H HA 0.269 4.824 4.556 -0.001 0.000 0.295 571 H C -0.371 174.956 175.328 -0.001 0.000 1.070 571 H CA -0.579 55.395 56.048 -0.123 0.000 1.257 571 H CB 0.985 30.618 29.762 -0.216 0.000 1.393 571 H HN 0.242 nan 8.280 nan 0.000 0.464 572 V N 5.304 125.283 119.914 0.108 0.000 2.421 572 V HA 0.133 4.252 4.120 -0.001 0.000 0.271 572 V C 0.203 176.344 176.094 0.078 0.000 1.031 572 V CA -0.104 62.283 62.300 0.144 0.000 1.032 572 V CB -0.015 31.892 31.823 0.140 0.000 1.009 572 V HN 0.470 nan 8.190 nan 0.000 0.477 573 V N 5.305 125.251 119.914 0.054 0.000 2.876 573 V HA 0.577 4.697 4.120 -0.001 0.000 0.312 573 V C -0.322 175.756 176.094 -0.026 0.000 1.085 573 V CA -1.145 61.167 62.300 0.020 0.000 0.945 573 V CB 2.404 34.233 31.823 0.010 0.000 1.017 573 V HN 0.820 nan 8.190 nan 0.000 0.428 574 K N 1.521 121.901 120.400 -0.033 0.000 2.371 574 K HA 0.771 5.090 4.320 -0.001 0.000 0.251 574 K C 0.554 177.110 176.600 -0.073 0.000 0.934 574 K CA 0.073 56.327 56.287 -0.054 0.000 0.798 574 K CB 2.084 34.564 32.500 -0.033 0.000 1.204 574 K HN 1.116 nan 8.250 nan 0.000 0.427 575 G N 1.860 110.607 108.800 -0.089 0.000 2.588 575 G HA2 -0.339 3.621 3.960 -0.001 0.000 0.273 575 G HA3 -0.339 3.621 3.960 -0.001 0.000 0.273 575 G C -0.195 174.609 174.900 -0.160 0.000 1.211 575 G CA -0.231 44.812 45.100 -0.094 0.000 0.958 575 G HN 0.843 nan 8.290 nan 0.000 0.543 576 A N 1.480 124.192 122.820 -0.180 0.000 2.526 576 A HA 0.484 4.803 4.320 -0.001 0.000 0.287 576 A C 0.640 177.783 177.584 -0.735 0.000 1.232 576 A CA 1.491 53.328 52.037 -0.333 0.000 0.900 576 A CB -0.524 18.371 19.000 -0.175 0.000 1.077 576 A HN 0.585 nan 8.150 nan 0.000 0.535 577 K N 3.417 123.446 120.400 -0.618 0.000 2.203 577 K HA 0.503 4.822 4.320 -0.001 0.000 0.251 577 K C -2.439 173.805 176.600 -0.593 0.000 0.944 577 K CA -1.898 54.010 56.287 -0.632 0.000 0.829 577 K CB 1.634 33.967 32.500 -0.278 0.000 1.125 577 K HN 0.485 nan 8.250 nan 0.000 0.430 578 P HA -0.000 nan 4.420 nan 0.000 0.270 578 P C -0.906 176.420 177.300 0.042 0.000 1.223 578 P CA -0.086 63.071 63.100 0.096 0.000 0.785 578 P CB 0.667 32.549 31.700 0.304 0.000 0.923 579 E N 0.755 121.009 120.200 0.090 0.000 2.194 579 E HA 0.116 4.466 4.350 -0.001 0.000 0.284 579 E C -0.146 176.489 176.600 0.059 0.000 1.035 579 E CA -0.857 55.576 56.400 0.056 0.000 0.836 579 E CB 1.467 31.202 29.700 0.058 0.000 1.070 579 E HN 0.232 nan 8.360 nan 0.000 0.401 580 V N 3.826 123.771 119.914 0.051 0.000 2.539 580 V HA 0.108 4.228 4.120 -0.001 0.000 0.294 580 V C 1.089 177.217 176.094 0.057 0.000 0.994 580 V CA 2.057 64.393 62.300 0.061 0.000 1.169 580 V CB -0.765 31.101 31.823 0.071 0.000 0.898 580 V HN 0.986 nan 8.190 nan 0.000 0.471 581 G N 3.516 112.350 108.800 0.056 0.000 2.260 581 G HA2 -0.179 3.781 3.960 -0.001 0.000 0.179 581 G HA3 -0.179 3.781 3.960 -0.001 0.000 0.179 581 G C 0.239 175.165 174.900 0.044 0.000 1.002 581 G CA -0.008 45.121 45.100 0.049 0.000 0.677 581 G HN 0.981 nan 8.290 nan 0.000 0.486 582 T N 1.962 116.546 114.554 0.049 0.000 2.918 582 T HA 0.461 4.810 4.350 -0.001 0.000 0.302 582 T C 0.240 174.958 174.700 0.030 0.000 1.045 582 T CA 0.251 62.377 62.100 0.044 0.000 1.114 582 T CB 1.440 70.349 68.868 0.067 0.000 0.965 582 T HN 0.207 nan 8.240 nan 0.000 0.540 583 K N 2.076 122.485 120.400 0.015 0.000 2.211 583 K HA 0.564 4.883 4.320 -0.001 0.000 0.275 583 K C -0.339 176.247 176.600 -0.024 0.000 1.024 583 K CA -0.627 55.661 56.287 0.002 0.000 0.887 583 K CB 1.223 33.724 32.500 0.002 0.000 1.084 583 K HN 0.489 nan 8.250 nan 0.000 0.463 584 V N -0.377 119.511 119.914 -0.044 0.000 3.001 584 V HA 0.523 4.642 4.120 -0.001 0.000 0.314 584 V C -0.798 175.199 176.094 -0.162 0.000 1.099 584 V CA -1.108 61.136 62.300 -0.093 0.000 0.989 584 V CB 1.915 33.687 31.823 -0.086 0.000 1.040 584 V HN 0.699 nan 8.190 nan 0.000 0.434 585 K N 2.051 122.342 120.400 -0.183 0.000 2.414 585 K HA 0.560 4.879 4.320 -0.001 0.000 0.251 585 K C 0.194 176.601 176.600 -0.322 0.000 1.037 585 K CA -0.191 55.946 56.287 -0.249 0.000 0.980 585 K CB 0.751 33.173 32.500 -0.130 0.000 1.280 585 K HN 1.218 nan 8.250 nan 0.000 0.451 586 G N 2.070 110.432 108.800 -0.731 0.000 2.406 586 G HA2 0.329 4.289 3.960 -0.001 0.000 0.251 586 G HA3 0.329 4.289 3.960 -0.001 0.000 0.251 586 G C -0.690 174.039 174.900 -0.286 0.000 1.271 586 G CA -0.379 44.393 45.100 -0.547 0.000 0.859 586 G HN 0.379 nan 8.290 nan 0.000 0.540 587 V N 4.414 124.249 119.914 -0.131 0.000 2.447 587 V HA 0.285 4.405 4.120 -0.001 0.000 0.292 587 V C 0.091 175.951 176.094 -0.390 0.000 1.021 587 V CA -0.580 61.540 62.300 -0.300 0.000 0.850 587 V CB 1.253 32.804 31.823 -0.454 0.000 1.005 587 V HN 0.649 nan 8.190 nan 0.000 0.426 588 I N 2.834 123.180 120.570 -0.373 0.000 2.428 588 I HA 0.273 4.443 4.170 -0.001 0.000 0.289 588 I C 0.366 176.338 176.117 -0.242 0.000 1.019 588 I CA -0.329 60.711 61.300 -0.435 0.000 1.351 588 I CB 1.127 38.796 38.000 -0.552 0.000 1.412 588 I HN 0.572 nan 8.210 nan 0.000 0.513 589 D N 4.048 124.350 120.400 -0.164 0.000 2.412 589 D HA -0.041 4.598 4.640 -0.001 0.000 0.257 589 D C 1.168 177.437 176.300 -0.053 0.000 1.217 589 D CA 0.533 54.489 54.000 -0.074 0.000 0.897 589 D CB 1.049 41.837 40.800 -0.021 0.000 1.132 589 D HN 0.506 nan 8.370 nan 0.000 0.493 590 S N 3.220 118.928 115.700 0.014 0.000 2.359 590 S HA -0.203 4.267 4.470 -0.001 0.000 0.224 590 S C 1.271 175.979 174.600 0.179 0.000 1.035 590 S CA 1.487 59.766 58.200 0.131 0.000 1.018 590 S CB -0.131 63.153 63.200 0.140 0.000 0.876 590 S HN 0.594 nan 8.310 nan 0.000 0.448 591 D N 0.724 121.176 120.400 0.086 0.000 2.087 591 D HA -0.096 4.544 4.640 -0.001 0.000 0.192 591 D C 2.170 178.475 176.300 0.009 0.000 0.993 591 D CA 1.520 55.564 54.000 0.073 0.000 0.828 591 D CB -0.849 39.974 40.800 0.038 0.000 0.968 591 D HN 0.316 nan 8.370 nan 0.000 0.448 592 V N 1.363 121.222 119.914 -0.091 0.000 2.380 592 V HA -0.263 3.856 4.120 -0.001 0.000 0.251 592 V C 2.516 178.281 176.094 -0.547 0.000 1.063 592 V CA 1.702 63.820 62.300 -0.302 0.000 1.055 592 V CB -0.477 31.196 31.823 -0.250 0.000 0.657 592 V HN 0.058 nan 8.190 nan 0.000 0.455 593 R N -0.837 119.471 120.500 -0.320 0.000 2.073 593 R HA -0.127 4.212 4.340 -0.001 0.000 0.229 593 R C 1.898 177.997 176.300 -0.336 0.000 1.120 593 R CA 1.672 57.549 56.100 -0.371 0.000 0.967 593 R CB -0.767 29.334 30.300 -0.332 0.000 0.862 593 R HN 0.532 nan 8.270 nan 0.000 0.436 594 W N 0.714 121.927 121.300 -0.144 0.000 2.388 594 W HA 0.061 4.720 4.660 -0.002 0.000 0.294 594 W C 2.498 179.010 176.519 -0.011 0.000 1.212 594 W CA 1.550 58.853 57.345 -0.071 0.000 1.271 594 W CB -0.207 29.224 29.460 -0.049 0.000 1.126 594 W HN 0.127 nan 8.180 nan 0.000 0.535 595 R N -0.242 120.377 120.500 0.199 0.000 2.083 595 R HA -0.124 4.216 4.340 -0.001 0.000 0.237 595 R C 0.711 177.251 176.300 0.399 0.000 1.137 595 R CA 1.381 57.652 56.100 0.285 0.000 0.951 595 R CB -0.757 29.663 30.300 0.201 0.000 0.851 595 R HN 0.248 nan 8.270 nan 0.000 0.434 599 H N 0.112 119.300 119.070 0.197 0.000 2.389 599 H HA -0.044 4.513 4.556 0.000 0.000 0.299 599 H C 1.830 177.357 175.328 0.331 0.000 1.081 599 H CA 2.073 58.297 56.048 0.294 0.000 1.345 599 H CB -0.104 29.761 29.762 0.171 0.000 1.393 599 H HN 0.305 nan 8.280 nan 0.000 0.520 600 H N -0.629 118.549 119.070 0.181 0.000 2.357 600 H HA -0.066 4.489 4.556 -0.001 0.000 0.301 600 H C 2.012 177.405 175.328 0.109 0.000 1.082 600 H CA 0.948 57.046 56.048 0.085 0.000 1.342 600 H CB 0.345 29.999 29.762 -0.180 0.000 1.389 600 H HN 0.188 nan 8.280 nan 0.000 0.511 601 S N 0.039 115.822 115.700 0.139 0.000 2.383 601 S HA -0.106 4.363 4.470 -0.001 0.000 0.227 601 S C 2.278 176.959 174.600 0.136 0.000 1.026 601 S CA 0.659 58.913 58.200 0.089 0.000 0.981 601 S CB -0.200 63.021 63.200 0.036 0.000 0.818 601 S HN 0.595 nan 8.310 nan 0.000 0.472 602 A N 1.277 124.181 122.820 0.140 0.000 1.933 602 A HA -0.115 4.205 4.320 -0.001 0.000 0.218 602 A C 2.274 179.844 177.584 -0.023 0.000 1.175 602 A CA 2.017 54.079 52.037 0.042 0.000 0.628 602 A CB -1.333 17.709 19.000 0.069 0.000 0.814 602 A HN 0.474 nan 8.150 nan 0.000 0.444 603 T N -0.689 113.969 114.554 0.173 0.000 2.699 603 T HA -0.191 4.159 4.350 -0.001 0.000 0.268 603 T C 1.733 176.506 174.700 0.121 0.000 1.036 603 T CA 1.672 63.863 62.100 0.152 0.000 1.147 603 T CB -0.549 68.539 68.868 0.368 0.000 0.862 603 T HN 0.676 nan 8.240 nan 0.000 0.446 604 H N -0.083 119.030 119.070 0.072 0.000 2.326 604 H HA -0.008 4.547 4.556 -0.002 0.000 0.301 604 H C 2.518 177.831 175.328 -0.024 0.000 1.081 604 H CA 1.299 57.364 56.048 0.028 0.000 1.334 604 H CB -0.238 29.538 29.762 0.023 0.000 1.385 604 H HN 0.168 nan 8.280 nan 0.000 0.504 605 V N 1.310 121.276 119.914 0.087 0.000 2.287 605 V HA -0.245 3.875 4.120 -0.001 0.000 0.248 605 V C 2.615 178.698 176.094 -0.018 0.000 1.053 605 V CA 1.471 63.780 62.300 0.015 0.000 1.027 605 V CB -0.583 31.223 31.823 -0.029 0.000 0.646 605 V HN 0.200 nan 8.190 nan 0.000 0.447 606 L N -0.522 120.614 121.223 -0.145 0.000 2.046 606 L HA -0.135 4.204 4.340 -0.001 0.000 0.208 606 L C 2.168 178.888 176.870 -0.249 0.000 1.077 606 L CA 1.824 56.500 54.840 -0.273 0.000 0.747 606 L CB -0.690 41.072 42.059 -0.495 0.000 0.896 606 L HN 0.264 nan 8.230 nan 0.000 0.432 607 L N -1.369 119.750 121.223 -0.175 0.000 2.017 607 L HA -0.242 4.098 4.340 -0.001 0.000 0.208 607 L C 2.415 179.186 176.870 -0.166 0.000 1.073 607 L CA 2.022 56.754 54.840 -0.180 0.000 0.745 607 L CB -1.098 40.874 42.059 -0.145 0.000 0.894 607 L HN 0.500 nan 8.230 nan 0.000 0.432 608 Y N -0.494 119.685 120.300 -0.201 0.000 2.165 608 Y HA -0.258 4.289 4.550 -0.005 0.000 0.286 608 Y C 2.529 178.318 175.900 -0.184 0.000 1.155 608 Y CA 2.024 60.015 58.100 -0.181 0.000 1.164 608 Y CB -0.414 37.966 38.460 -0.133 0.000 0.978 608 Y HN 0.233 nan 8.280 nan 0.000 0.513 609 S N 0.641 116.240 115.700 -0.169 0.000 2.368 609 S HA -0.156 4.314 4.470 -0.001 0.000 0.224 609 S C 2.031 176.433 174.600 -0.329 0.000 1.029 609 S CA 1.455 59.503 58.200 -0.253 0.000 0.988 609 S CB -0.587 62.533 63.200 -0.134 0.000 0.838 609 S HN 0.474 nan 8.310 nan 0.000 0.462 610 L N 1.336 122.349 121.223 -0.351 0.000 2.042 610 L HA -0.196 4.143 4.340 -0.001 0.000 0.210 610 L C 2.877 179.529 176.870 -0.363 0.000 1.076 610 L CA 1.422 56.026 54.840 -0.392 0.000 0.749 610 L CB -0.469 41.310 42.059 -0.468 0.000 0.893 610 L HN 0.406 nan 8.230 nan 0.000 0.432 611 Q N 0.116 119.690 119.800 -0.377 0.000 2.079 611 Q HA -0.206 4.133 4.340 -0.001 0.000 0.200 611 Q C 2.244 178.041 176.000 -0.338 0.000 0.974 611 Q CA 1.318 56.898 55.803 -0.371 0.000 0.840 611 Q CB 0.161 28.667 28.738 -0.387 0.000 0.898 611 Q HN 0.388 nan 8.270 nan 0.000 0.430 612 K N -0.343 119.806 120.400 -0.419 0.000 2.032 612 K HA -0.145 4.175 4.320 -0.001 0.000 0.209 612 K C 2.085 178.555 176.600 -0.217 0.000 1.048 612 K CA 1.600 57.677 56.287 -0.349 0.000 0.927 612 K CB -0.070 32.160 32.500 -0.450 0.000 0.712 612 K HN 0.131 nan 8.250 nan 0.000 0.441 613 V N 1.544 121.329 119.914 -0.215 0.000 2.302 613 V HA -0.175 3.944 4.120 -0.001 0.000 0.243 613 V C 2.252 178.279 176.094 -0.113 0.000 1.036 613 V CA 1.407 63.620 62.300 -0.144 0.000 1.020 613 V CB -0.299 31.438 31.823 -0.143 0.000 0.657 613 V HN 0.231 nan 8.190 nan 0.000 0.453 614 L N -0.540 120.580 121.223 -0.172 0.000 2.162 614 L HA 0.406 4.746 4.340 -0.001 0.000 0.205 614 L C 1.056 177.942 176.870 0.026 0.000 1.086 614 L CA 1.038 55.801 54.840 -0.129 0.000 0.778 614 L CB -0.382 41.453 42.059 -0.375 0.000 0.928 614 L HN 0.565 nan 8.230 nan 0.000 0.446 615 G N -0.929 107.798 108.800 -0.121 0.000 2.334 615 G HA2 -0.151 3.809 3.960 -0.001 0.000 0.566 615 G HA3 -0.151 3.809 3.960 -0.001 0.000 0.566 615 G C -0.424 174.361 174.900 -0.192 0.000 1.413 615 G CA -0.590 44.496 45.100 -0.023 0.000 0.993 615 G HN -0.071 nan 8.290 nan 0.000 0.642 616 N N 0.347 119.043 118.700 -0.007 0.000 2.573 616 N HA -0.085 4.654 4.740 -0.001 0.000 0.187 616 N C 1.751 177.318 175.510 0.096 0.000 1.107 616 N CA 1.271 54.313 53.050 -0.012 0.000 0.918 616 N CB -0.281 38.259 38.487 0.088 0.000 0.966 616 N HN 0.803 nan 8.380 nan 0.000 0.448 617 H N -1.055 118.153 119.070 0.231 0.000 2.547 617 H HA 0.109 4.665 4.556 -0.001 0.000 0.272 617 H C 0.194 175.751 175.328 0.382 0.000 0.989 617 H CA -0.000 56.261 56.048 0.355 0.000 1.214 617 H CB -0.326 29.643 29.762 0.346 0.000 1.389 617 H HN -0.171 nan 8.280 nan 0.000 0.577 618 V N 2.307 121.999 119.914 -0.369 0.000 2.479 618 V HA -0.013 4.106 4.120 -0.001 0.000 0.281 618 V C -0.764 175.242 176.094 -0.147 0.000 1.031 618 V CA 0.318 62.491 62.300 -0.211 0.000 1.038 618 V CB -0.410 31.191 31.823 -0.370 0.000 0.981 618 V HN 0.315 nan 8.190 nan 0.000 0.478 619 W N 2.322 123.629 121.300 0.012 0.000 3.032 619 W HA 0.438 5.100 4.660 0.002 0.000 0.335 619 W C -0.022 176.524 176.519 0.047 0.000 1.154 619 W CA -0.834 56.534 57.345 0.038 0.000 1.204 619 W CB 1.555 31.062 29.460 0.079 0.000 1.416 619 W HN 0.465 nan 8.180 nan 0.000 0.521 620 Q N 1.822 121.779 119.800 0.262 0.000 2.247 620 Q HA 0.206 4.545 4.340 -0.001 0.000 0.288 620 Q C 1.025 177.154 176.000 0.215 0.000 1.079 620 Q CA 0.835 56.751 55.803 0.188 0.000 0.932 620 Q CB 1.146 29.976 28.738 0.153 0.000 1.133 620 Q HN 0.720 nan 8.270 nan 0.000 0.377 621 A N 3.866 126.790 122.820 0.174 0.000 2.014 621 A HA 0.291 4.610 4.320 -0.001 0.000 0.218 621 A C 0.893 178.549 177.584 0.121 0.000 1.163 621 A CA 1.224 53.350 52.037 0.148 0.000 0.652 621 A CB -0.191 18.888 19.000 0.132 0.000 0.808 621 A HN 1.013 nan 8.150 nan 0.000 0.449 622 G N -3.559 105.309 108.800 0.113 0.000 2.359 622 G HA2 0.531 4.491 3.960 -0.001 0.000 0.314 622 G HA3 0.531 4.491 3.960 -0.001 0.000 0.314 622 G C -0.560 174.376 174.900 0.061 0.000 1.364 622 G CA -0.293 44.861 45.100 0.090 0.000 0.978 622 G HN 1.341 nan 8.290 nan 0.000 0.615 623 A N 0.670 123.514 122.820 0.041 0.000 3.214 623 A HA 0.604 4.924 4.320 -0.001 0.000 0.304 623 A C 0.523 178.077 177.584 -0.050 0.000 0.969 623 A CA -0.451 51.581 52.037 -0.008 0.000 0.986 623 A CB 0.127 19.140 19.000 0.022 0.000 1.073 623 A HN 0.459 nan 8.150 nan 0.000 0.487 624 R N 2.234 122.704 120.500 -0.050 0.000 2.606 624 R HA 0.044 4.383 4.340 -0.001 0.000 0.276 624 R C -0.074 176.138 176.300 -0.147 0.000 1.416 624 R CA 0.069 56.133 56.100 -0.060 0.000 1.064 624 R CB -0.578 29.703 30.300 -0.031 0.000 1.117 624 R HN 0.771 nan 8.270 nan 0.000 0.543 625 K N 1.530 121.810 120.400 -0.200 0.000 2.572 625 K HA -0.167 4.152 4.320 -0.001 0.000 0.273 625 K C -0.028 176.340 176.600 -0.387 0.000 0.990 625 K CA 0.795 56.827 56.287 -0.427 0.000 1.097 625 K CB 0.596 32.988 32.500 -0.180 0.000 0.819 625 K HN 0.571 nan 8.250 nan 0.000 0.482 626 E N 3.138 122.931 120.200 -0.678 0.000 3.562 626 E HA 0.031 4.380 4.350 -0.001 0.000 0.377 626 E C -1.438 174.855 176.600 -0.512 0.000 1.050 626 E CA -0.363 55.822 56.400 -0.358 0.000 0.705 626 E CB -0.010 29.568 29.700 -0.203 0.000 1.314 626 E HN 0.603 nan 8.360 nan 0.000 0.484 627 F N 2.055 121.959 119.950 -0.078 0.000 2.645 627 F HA 0.180 4.706 4.527 -0.001 0.000 0.300 627 F C 1.881 177.605 175.800 -0.126 0.000 1.115 627 F CA -0.059 57.867 58.000 -0.123 0.000 1.355 627 F CB 0.621 39.526 39.000 -0.159 0.000 1.026 627 F HN 0.267 nan 8.300 nan 0.000 0.536 628 S N -0.544 115.160 115.700 0.006 0.000 2.380 628 S HA -0.137 4.332 4.470 -0.001 0.000 0.229 628 S C 1.127 175.693 174.600 -0.057 0.000 1.043 628 S CA 1.433 59.624 58.200 -0.014 0.000 1.038 628 S CB -0.047 63.136 63.200 -0.028 0.000 0.872 628 S HN 0.170 nan 8.310 nan 0.000 0.456 629 K N -0.070 120.272 120.400 -0.096 0.000 2.400 629 K HA 0.650 4.970 4.320 -0.001 0.000 0.246 629 K C -1.040 175.427 176.600 -0.221 0.000 0.995 629 K CA -0.707 55.489 56.287 -0.151 0.000 0.840 629 K CB 1.946 34.371 32.500 -0.125 0.000 1.293 629 K HN 0.086 nan 8.250 nan 0.000 0.445 630 A N 2.530 125.131 122.820 -0.365 0.000 2.343 630 A HA 0.430 4.749 4.320 -0.001 0.000 0.305 630 A C -0.340 176.887 177.584 -0.595 0.000 1.308 630 A CA -0.224 51.490 52.037 -0.539 0.000 0.949 630 A CB -0.067 18.458 19.000 -0.792 0.000 1.148 630 A HN 0.573 nan 8.150 nan 0.000 0.545 631 R N 1.193 121.566 120.500 -0.212 0.000 2.795 631 R HA 0.753 5.092 4.340 -0.001 0.000 0.275 631 R C -1.678 174.767 176.300 0.242 0.000 0.981 631 R CA -0.922 55.197 56.100 0.032 0.000 0.917 631 R CB 2.033 32.326 30.300 -0.012 0.000 1.202 631 R HN 0.527 nan 8.270 nan 0.000 0.469 632 L N 1.162 122.596 121.223 0.351 0.000 2.476 632 L HA 0.460 4.799 4.340 -0.001 0.000 0.269 632 L C -1.772 175.263 176.870 0.275 0.000 0.965 632 L CA -0.464 54.551 54.840 0.291 0.000 0.845 632 L CB 2.002 44.233 42.059 0.286 0.000 1.259 632 L HN 0.499 nan 8.230 nan 0.000 0.403 633 D N 4.046 124.559 120.400 0.188 0.000 2.193 633 D HA 0.695 5.335 4.640 -0.001 0.000 0.244 633 D C -0.479 175.929 176.300 0.180 0.000 1.064 633 D CA 0.153 54.263 54.000 0.183 0.000 0.845 633 D CB 2.137 43.007 40.800 0.118 0.000 1.148 633 D HN 0.469 nan 8.370 nan 0.000 0.464 634 V N -1.275 118.767 119.914 0.214 0.000 3.130 634 V HA 0.756 4.875 4.120 -0.001 0.000 0.310 634 V C -0.050 176.178 176.094 0.223 0.000 1.158 634 V CA -1.181 61.234 62.300 0.192 0.000 1.029 634 V CB 1.595 33.498 31.823 0.133 0.000 1.057 634 V HN 0.560 nan 8.190 nan 0.000 0.436 635 T N 0.071 114.772 114.554 0.245 0.000 2.723 635 T HA 0.657 5.007 4.350 -0.001 0.000 0.297 635 T C -0.557 174.373 174.700 0.384 0.000 0.925 635 T CA 0.055 62.323 62.100 0.280 0.000 1.030 635 T CB -0.187 68.857 68.868 0.292 0.000 0.905 635 T HN 1.288 nan 8.240 nan 0.000 0.502 636 H N 2.963 122.154 119.070 0.201 0.000 2.974 636 H HA 0.399 4.955 4.556 0.000 0.000 0.366 636 H C 0.075 175.435 175.328 0.054 0.000 1.155 636 H CA -1.802 54.330 56.048 0.141 0.000 1.186 636 H CB 1.058 30.847 29.762 0.046 0.000 1.799 636 H HN 0.578 nan 8.280 nan 0.000 0.541 637 F N 2.600 122.290 119.950 -0.434 0.000 2.816 637 F HA 0.298 4.825 4.527 -0.001 0.000 0.302 637 F C 0.446 176.074 175.800 -0.287 0.000 1.178 637 F CA -0.016 57.796 58.000 -0.314 0.000 1.421 637 F CB -0.217 38.608 39.000 -0.291 0.000 1.114 637 F HN 0.476 nan 8.300 nan 0.000 0.573 638 R N -0.621 119.595 120.500 -0.473 0.000 2.832 638 R HA 0.310 4.650 4.340 -0.001 0.000 0.283 638 R C -1.226 175.031 176.300 -0.072 0.000 0.998 638 R CA -1.173 54.823 56.100 -0.173 0.000 0.843 638 R CB 0.617 30.861 30.300 -0.093 0.000 1.332 638 R HN 0.183 nan 8.270 nan 0.000 0.490 639 R N 1.294 121.793 120.500 -0.002 0.000 2.491 639 R HA 0.290 4.630 4.340 -0.001 0.000 0.283 639 R C -2.130 174.212 176.300 0.070 0.000 1.072 639 R CA -1.050 55.066 56.100 0.027 0.000 1.048 639 R CB 0.509 30.806 30.300 -0.004 0.000 0.983 639 R HN 0.375 nan 8.270 nan 0.000 0.450 640 P HA 0.018 nan 4.420 nan 0.000 0.271 640 P C -0.766 176.561 177.300 0.044 0.000 1.216 640 P CA -0.121 63.024 63.100 0.075 0.000 0.771 640 P CB 1.250 33.002 31.700 0.087 0.000 0.864 641 S N 1.805 117.532 115.700 0.045 0.000 2.608 641 S HA 0.103 4.573 4.470 -0.001 0.000 0.261 641 S C 1.181 175.799 174.600 0.029 0.000 1.314 641 S CA -0.376 57.844 58.200 0.033 0.000 0.992 641 S CB 0.526 63.747 63.200 0.034 0.000 0.935 641 S HN 0.357 nan 8.310 nan 0.000 0.564 642 E N 1.288 121.502 120.200 0.023 0.000 2.118 642 E HA -0.156 4.193 4.350 -0.001 0.000 0.195 642 E C 1.845 178.460 176.600 0.025 0.000 0.992 642 E CA 1.611 58.025 56.400 0.023 0.000 0.804 642 E CB -0.451 29.259 29.700 0.018 0.000 0.741 642 E HN 0.804 nan 8.360 nan 0.000 0.458 643 E N 0.791 121.004 120.200 0.022 0.000 2.107 643 E HA -0.112 4.237 4.350 -0.001 0.000 0.191 643 E C 1.987 178.598 176.600 0.018 0.000 0.982 643 E CA 0.846 57.257 56.400 0.019 0.000 0.809 643 E CB -0.145 29.564 29.700 0.017 0.000 0.756 643 E HN 0.349 nan 8.360 nan 0.000 0.459 644 E N 0.465 120.678 120.200 0.021 0.000 2.047 644 E HA -0.133 4.217 4.350 -0.001 0.000 0.191 644 E C 2.087 178.700 176.600 0.023 0.000 0.987 644 E CA 0.860 57.268 56.400 0.012 0.000 0.799 644 E CB -0.155 29.552 29.700 0.010 0.000 0.752 644 E HN 0.249 nan 8.360 nan 0.000 0.449 645 I N 1.408 122.011 120.570 0.055 0.000 2.163 645 I HA -0.324 3.845 4.170 -0.001 0.000 0.243 645 I C 2.645 178.798 176.117 0.059 0.000 1.085 645 I CA 1.252 62.610 61.300 0.096 0.000 1.347 645 I CB -0.295 37.764 38.000 0.098 0.000 1.044 645 I HN 0.057 nan 8.210 nan 0.000 0.408 646 K N 1.113 121.536 120.400 0.038 0.000 2.057 646 K HA -0.279 4.040 4.320 -0.001 0.000 0.207 646 K C 2.076 178.683 176.600 0.011 0.000 1.049 646 K CA 2.021 58.323 56.287 0.026 0.000 0.931 646 K CB -0.048 32.465 32.500 0.021 0.000 0.714 646 K HN 0.150 nan 8.250 nan 0.000 0.440 647 E N 0.768 120.970 120.200 0.003 0.000 2.150 647 E HA -0.138 4.211 4.350 -0.001 0.000 0.193 647 E C 1.795 178.375 176.600 -0.034 0.000 0.985 647 E CA 1.084 57.476 56.400 -0.014 0.000 0.814 647 E CB -0.015 29.674 29.700 -0.018 0.000 0.752 647 E HN 0.306 nan 8.360 nan 0.000 0.466 648 I N 1.052 121.599 120.570 -0.039 0.000 2.202 648 I HA -0.115 4.054 4.170 -0.001 0.000 0.242 648 I C 1.613 177.689 176.117 -0.068 0.000 1.091 648 I CA 0.911 62.160 61.300 -0.085 0.000 1.368 648 I CB -1.358 36.573 38.000 -0.114 0.000 1.058 648 I HN 0.311 nan 8.210 nan 0.000 0.410 652 A N 0.594 123.403 122.820 -0.019 0.000 1.877 652 A HA -0.110 4.210 4.320 -0.001 0.000 0.216 652 A C 1.773 179.347 177.584 -0.016 0.000 1.186 652 A CA 2.015 54.040 52.037 -0.020 0.000 0.620 652 A CB -0.772 18.185 19.000 -0.071 0.000 0.822 652 A HN 0.636 nan 8.150 nan 0.000 0.443 653 N N -0.352 118.339 118.700 -0.015 0.000 2.309 653 N HA -0.099 4.641 4.740 -0.001 0.000 0.182 653 N C 1.763 177.269 175.510 -0.007 0.000 1.018 653 N CA 0.917 53.961 53.050 -0.010 0.000 0.876 653 N CB -0.338 38.147 38.487 -0.004 0.000 0.972 653 N HN 0.513 nan 8.380 nan 0.000 0.434 654 R N 0.737 121.236 120.500 -0.002 0.000 2.115 654 R HA 0.009 4.349 4.340 -0.001 0.000 0.226 654 R C 1.555 177.851 176.300 -0.005 0.000 1.100 654 R CA 0.652 56.751 56.100 -0.001 0.000 0.980 654 R CB 0.104 30.407 30.300 0.005 0.000 0.875 654 R HN 0.193 nan 8.270 nan 0.000 0.445 655 E N 0.823 121.021 120.200 -0.003 0.000 2.072 655 E HA -0.123 4.227 4.350 -0.001 0.000 0.191 655 E C 2.041 178.617 176.600 -0.040 0.000 0.985 655 E CA 0.950 57.333 56.400 -0.027 0.000 0.801 655 E CB -0.078 29.603 29.700 -0.032 0.000 0.750 655 E HN 0.352 nan 8.360 nan 0.000 0.452 656 I N 0.634 121.188 120.570 -0.028 0.000 2.202 656 I HA -0.248 3.921 4.170 -0.001 0.000 0.242 656 I C 2.378 178.484 176.117 -0.019 0.000 1.091 656 I CA 0.554 61.840 61.300 -0.023 0.000 1.368 656 I CB -0.140 37.850 38.000 -0.015 0.000 1.058 656 I HN 0.078 nan 8.210 nan 0.000 0.410 657 L N 1.085 122.299 121.223 -0.015 0.000 2.201 657 L HA -0.061 4.279 4.340 -0.001 0.000 0.212 657 L C 2.369 179.229 176.870 -0.017 0.000 1.105 657 L CA 1.720 56.552 54.840 -0.013 0.000 0.775 657 L CB -0.719 41.334 42.059 -0.010 0.000 0.913 657 L HN 0.169 nan 8.230 nan 0.000 0.440 658 A N -0.799 122.007 122.820 -0.023 0.000 2.168 658 A HA -0.157 4.162 4.320 -0.001 0.000 0.215 658 A C 1.271 178.835 177.584 -0.033 0.000 1.152 658 A CA 0.706 52.726 52.037 -0.028 0.000 0.716 658 A CB -0.876 18.104 19.000 -0.035 0.000 0.794 658 A HN 0.725 nan 8.150 nan 0.000 0.465 659 N N -0.721 117.960 118.700 -0.032 0.000 2.688 659 N HA -0.165 4.574 4.740 -0.001 0.000 0.258 659 N C -0.640 174.843 175.510 -0.044 0.000 1.016 659 N CA 0.391 53.423 53.050 -0.031 0.000 0.747 659 N CB -0.707 37.766 38.487 -0.022 0.000 0.895 659 N HN 0.616 nan 8.380 nan 0.000 0.543 660 K N 0.456 120.820 120.400 -0.061 0.000 2.168 660 K HA 0.282 4.602 4.320 -0.001 0.000 0.258 660 K C -2.353 174.198 176.600 -0.082 0.000 1.010 660 K CA -1.202 55.037 56.287 -0.079 0.000 0.929 660 K CB 0.435 32.870 32.500 -0.108 0.000 0.998 660 K HN 0.124 nan 8.250 nan 0.000 0.479 661 P HA 0.140 nan 4.420 nan 0.000 0.275 661 P C -0.723 176.497 177.300 -0.133 0.000 1.228 661 P CA 0.085 63.119 63.100 -0.110 0.000 0.786 661 P CB 0.515 32.142 31.700 -0.121 0.000 0.927 662 I N 2.887 123.372 120.570 -0.141 0.000 2.389 662 I HA 0.347 4.516 4.170 -0.001 0.000 0.288 662 I C 0.383 176.335 176.117 -0.276 0.000 0.999 662 I CA -0.514 60.703 61.300 -0.139 0.000 1.129 662 I CB 1.266 39.255 38.000 -0.019 0.000 1.288 662 I HN 0.150 nan 8.210 nan 0.000 0.444 663 K N 5.561 125.795 120.400 -0.276 0.000 2.400 663 K HA 0.717 5.037 4.320 -0.001 0.000 0.246 663 K C -1.750 174.723 176.600 -0.213 0.000 0.995 663 K CA -0.826 55.190 56.287 -0.451 0.000 0.840 663 K CB 2.784 35.084 32.500 -0.333 0.000 1.293 663 K HN 0.575 nan 8.250 nan 0.000 0.445 664 W N 0.207 121.399 121.300 -0.181 0.000 3.363 664 W HA 0.468 5.127 4.660 -0.001 0.000 0.306 664 W C -1.534 174.871 176.519 -0.190 0.000 1.253 664 W CA -0.641 56.569 57.345 -0.224 0.000 1.195 664 W CB 0.724 30.047 29.460 -0.228 0.000 1.366 664 W HN 0.687 nan 8.180 nan 0.000 0.551 665 E N 0.974 121.171 120.200 -0.005 0.000 2.431 665 E HA 0.286 4.635 4.350 -0.001 0.000 0.287 665 E C -1.431 175.098 176.600 -0.119 0.000 1.032 665 E CA -0.951 55.432 56.400 -0.029 0.000 0.839 665 E CB 0.859 30.560 29.700 0.002 0.000 1.218 665 E HN 0.488 nan 8.360 nan 0.000 0.424 669 R N 0.550 121.101 120.500 0.086 0.000 2.103 669 R HA -0.097 4.243 4.340 -0.001 0.000 0.234 669 R C 2.152 178.504 176.300 0.086 0.000 1.132 669 R CA 1.178 57.335 56.100 0.096 0.000 0.925 669 R CB -0.252 30.090 30.300 0.069 0.000 0.842 669 R HN 0.501 nan 8.270 nan 0.000 0.430 670 I N 1.115 121.724 120.570 0.065 0.000 2.248 670 I HA -0.320 3.850 4.170 -0.001 0.000 0.248 670 I C 2.518 178.633 176.117 -0.003 0.000 1.107 670 I CA 1.560 62.884 61.300 0.040 0.000 1.373 670 I CB -0.119 37.898 38.000 0.028 0.000 1.055 670 I HN 0.322 nan 8.210 nan 0.000 0.418 671 E N 0.574 120.775 120.200 0.001 0.000 2.072 671 E HA -0.219 4.130 4.350 -0.001 0.000 0.191 671 E C 2.154 178.722 176.600 -0.053 0.000 0.985 671 E CA 1.122 57.503 56.400 -0.032 0.000 0.801 671 E CB -0.063 29.633 29.700 -0.007 0.000 0.750 671 E HN 0.614 nan 8.360 nan 0.000 0.452 672 A N 1.392 124.227 122.820 0.025 0.000 1.873 672 A HA -0.197 4.122 4.320 -0.001 0.000 0.215 672 A C 1.924 179.523 177.584 0.026 0.000 1.186 672 A CA 1.565 53.666 52.037 0.106 0.000 0.616 672 A CB -0.496 18.596 19.000 0.153 0.000 0.823 672 A HN 0.304 nan 8.150 nan 0.000 0.442 673 E N -0.744 119.444 120.200 -0.020 0.000 2.110 673 E HA -0.199 4.150 4.350 -0.001 0.000 0.193 673 E C 2.278 178.730 176.600 -0.245 0.000 0.988 673 E CA 1.081 57.401 56.400 -0.133 0.000 0.804 673 E CB -0.195 29.463 29.700 -0.071 0.000 0.745 673 E HN 0.551 nan 8.360 nan 0.000 0.458 674 R N 1.189 121.569 120.500 -0.201 0.000 2.115 674 R HA -0.109 4.231 4.340 -0.001 0.000 0.230 674 R C 1.854 177.979 176.300 -0.293 0.000 1.111 674 R CA 1.236 57.200 56.100 -0.226 0.000 0.976 674 R CB 0.181 30.386 30.300 -0.159 0.000 0.870 674 R HN 0.020 nan 8.270 nan 0.000 0.445 675 K N -1.286 118.870 120.400 -0.407 0.000 2.166 675 K HA 0.009 4.329 4.320 -0.001 0.000 0.201 675 K C 1.005 177.123 176.600 -0.803 0.000 1.052 675 K CA 0.896 56.761 56.287 -0.705 0.000 0.969 675 K CB 0.295 32.140 32.500 -1.091 0.000 0.761 675 K HN 0.116 nan 8.250 nan 0.000 0.459 676 F N 0.117 119.981 119.950 -0.144 0.000 2.706 676 F HA 0.308 4.834 4.527 -0.002 0.000 0.313 676 F C 0.980 176.678 175.800 -0.169 0.000 1.096 676 F CA -0.053 57.862 58.000 -0.142 0.000 1.219 676 F CB 0.546 39.467 39.000 -0.133 0.000 1.051 676 F HN 0.073 nan 8.300 nan 0.000 0.568 677 G N 0.468 109.187 108.800 -0.135 0.000 2.796 677 G HA2 -0.299 3.661 3.960 -0.001 0.000 0.226 677 G HA3 -0.299 3.661 3.960 -0.001 0.000 0.226 677 G C 0.096 174.893 174.900 -0.172 0.000 1.381 677 G CA -0.353 44.592 45.100 -0.258 0.000 0.867 677 G HN 0.034 nan 8.290 nan 0.000 0.552 678 F N 0.432 120.467 119.950 0.142 0.000 2.802 678 F HA 0.150 4.676 4.527 -0.001 0.000 0.300 678 F C 2.752 178.755 175.800 0.338 0.000 1.168 678 F CA 0.706 58.859 58.000 0.255 0.000 1.433 678 F CB -0.088 39.172 39.000 0.433 0.000 1.115 678 F HN 0.276 nan 8.300 nan 0.000 0.582 679 R N 0.031 120.748 120.500 0.362 0.000 2.293 679 R HA -0.105 4.235 4.340 -0.001 0.000 0.219 679 R C 2.029 178.357 176.300 0.047 0.000 1.091 679 R CA 0.382 56.549 56.100 0.112 0.000 1.004 679 R CB -0.820 29.424 30.300 -0.094 0.000 0.865 679 R HN 0.326 nan 8.270 nan 0.000 0.469 680 L N -0.179 121.021 121.223 -0.038 0.000 2.275 680 L HA -0.127 4.212 4.340 -0.001 0.000 0.215 680 L C 0.705 177.448 176.870 -0.212 0.000 1.119 680 L CA 1.542 56.233 54.840 -0.248 0.000 0.790 680 L CB -0.124 41.643 42.059 -0.485 0.000 0.919 680 L HN 0.059 nan 8.230 nan 0.000 0.443 681 Y N -1.461 119.023 120.300 0.306 0.000 2.658 681 Y HA 0.220 4.770 4.550 0.000 0.000 0.276 681 Y C 1.931 178.005 175.900 0.290 0.000 1.167 681 Y CA -0.567 57.695 58.100 0.270 0.000 1.230 681 Y CB -0.755 37.866 38.460 0.268 0.000 1.144 681 Y HN 0.216 nan 8.280 nan 0.000 0.529 682 Q N 0.084 120.124 119.800 0.399 0.000 2.152 682 Q HA -0.144 4.195 4.340 -0.001 0.000 0.206 682 Q C 1.964 178.124 176.000 0.265 0.000 0.985 682 Q CA 1.583 57.611 55.803 0.375 0.000 0.863 682 Q CB -0.277 28.568 28.738 0.178 0.000 0.904 682 Q HN 0.659 nan 8.270 nan 0.000 0.422 683 G N -0.173 108.753 108.800 0.211 0.000 3.314 683 G HA2 0.400 4.360 3.960 -0.001 0.000 0.238 683 G HA3 0.400 4.360 3.960 -0.001 0.000 0.238 683 G C 0.218 175.237 174.900 0.198 0.000 1.184 683 G CA 0.373 45.581 45.100 0.181 0.000 0.806 683 G HN 0.477 nan 8.290 nan 0.000 0.536 684 G N -1.579 107.360 108.800 0.232 0.000 2.440 684 G HA2 0.134 4.093 3.960 -0.001 0.000 0.684 684 G HA3 0.134 4.093 3.960 -0.001 0.000 0.684 684 G C -1.186 173.844 174.900 0.216 0.000 1.309 684 G CA -0.520 44.695 45.100 0.192 0.000 0.931 684 G HN 0.662 nan 8.290 nan 0.000 0.612 685 V N 3.123 123.091 119.914 0.091 0.000 2.334 685 V HA 0.614 4.733 4.120 -0.001 0.000 0.281 685 V C -1.338 174.791 176.094 0.058 0.000 1.016 685 V CA -0.823 61.434 62.300 -0.071 0.000 0.832 685 V CB 1.316 33.002 31.823 -0.227 0.000 0.999 685 V HN 0.794 nan 8.190 nan 0.000 0.439 686 P HA 0.519 nan 4.420 nan 0.000 0.284 686 P C -2.742 174.638 177.300 0.134 0.000 1.258 686 P CA -1.642 61.548 63.100 0.149 0.000 0.824 686 P CB 1.425 33.233 31.700 0.181 0.000 1.038 687 P HA 0.431 nan 4.420 nan 0.000 0.279 687 P C -0.113 177.318 177.300 0.219 0.000 1.276 687 P CA 0.124 63.432 63.100 0.347 0.000 0.801 687 P CB 0.577 32.460 31.700 0.305 0.000 1.127 688 G N 0.108 109.053 108.800 0.242 0.000 2.640 688 G HA2 -0.113 3.846 3.960 -0.001 0.000 0.686 688 G HA3 -0.113 3.846 3.960 -0.001 0.000 0.686 688 G C 0.351 175.329 174.900 0.130 0.000 1.229 688 G CA -0.572 44.627 45.100 0.164 0.000 0.796 688 G HN 0.439 nan 8.290 nan 0.000 0.654 689 R N 0.060 120.625 120.500 0.109 0.000 2.189 689 R HA 0.121 4.460 4.340 -0.001 0.000 0.218 689 R C 1.060 177.414 176.300 0.091 0.000 1.074 689 R CA 1.159 57.313 56.100 0.089 0.000 0.991 689 R CB 0.129 30.465 30.300 0.059 0.000 0.883 689 R HN 0.407 nan 8.270 nan 0.000 0.457 690 K N 1.149 121.619 120.400 0.116 0.000 2.397 690 K HA 0.382 4.702 4.320 -0.001 0.000 0.253 690 K C -0.883 175.926 176.600 0.348 0.000 0.932 690 K CA -0.582 55.822 56.287 0.195 0.000 0.795 690 K CB 2.212 34.809 32.500 0.161 0.000 1.159 690 K HN -0.003 nan 8.250 nan 0.000 0.424 691 I N -0.954 119.810 120.570 0.325 0.000 2.603 691 I HA 0.535 4.705 4.170 -0.001 0.000 0.300 691 I C -0.394 175.725 176.117 0.003 0.000 1.017 691 I CA -1.195 60.262 61.300 0.262 0.000 1.098 691 I CB 1.934 40.031 38.000 0.162 0.000 1.279 691 I HN 0.437 nan 8.210 nan 0.000 0.437 692 R N 3.836 124.060 120.500 -0.459 0.000 2.316 692 R HA 0.508 4.848 4.340 -0.001 0.000 0.314 692 R C -1.352 174.731 176.300 -0.362 0.000 1.069 692 R CA -0.338 55.228 56.100 -0.890 0.000 0.959 692 R CB 0.943 30.465 30.300 -1.296 0.000 0.987 692 R HN 0.668 nan 8.270 nan 0.000 0.446 693 V N 6.124 125.874 119.914 -0.273 0.000 2.370 693 V HA 0.284 4.403 4.120 -0.001 0.000 0.283 693 V C -0.234 175.745 176.094 -0.192 0.000 1.023 693 V CA -0.694 61.489 62.300 -0.195 0.000 0.857 693 V CB 1.614 33.346 31.823 -0.151 0.000 0.985 693 V HN 0.490 nan 8.190 nan 0.000 0.443 694 V N 5.261 125.057 119.914 -0.197 0.000 2.483 694 V HA 0.475 4.595 4.120 -0.001 0.000 0.295 694 V C -0.265 175.673 176.094 -0.260 0.000 1.035 694 V CA -0.615 61.559 62.300 -0.209 0.000 0.896 694 V CB 1.743 33.353 31.823 -0.355 0.000 0.986 694 V HN 0.926 nan 8.190 nan 0.000 0.447 695 Q N 3.014 122.662 119.800 -0.253 0.000 2.401 695 Q HA 0.483 4.823 4.340 -0.001 0.000 0.260 695 Q C -1.240 174.629 176.000 -0.218 0.000 1.034 695 Q CA -0.416 55.235 55.803 -0.254 0.000 0.737 695 Q CB 2.308 30.890 28.738 -0.261 0.000 1.227 695 Q HN 0.590 nan 8.270 nan 0.000 0.488 696 V N 2.988 122.788 119.914 -0.190 0.000 2.288 696 V HA 0.504 4.624 4.120 -0.001 0.000 0.266 696 V C 0.924 176.908 176.094 -0.185 0.000 1.048 696 V CA 0.536 62.730 62.300 -0.177 0.000 0.842 696 V CB 0.048 31.773 31.823 -0.164 0.000 1.064 696 V HN 1.038 nan 8.190 nan 0.000 0.472 697 G N 5.184 113.865 108.800 -0.198 0.000 2.523 697 G HA2 -0.269 3.691 3.960 -0.001 0.000 0.271 697 G HA3 -0.269 3.691 3.960 -0.001 0.000 0.271 697 G C 0.386 175.117 174.900 -0.282 0.000 1.146 697 G CA 0.471 45.419 45.100 -0.253 0.000 0.961 697 G HN 0.549 nan 8.290 nan 0.000 0.549 698 D N 1.385 121.520 120.400 -0.442 0.000 2.339 698 D HA 0.267 4.907 4.640 -0.001 0.000 0.217 698 D C 0.566 176.720 176.300 -0.243 0.000 1.050 698 D CA 0.680 54.478 54.000 -0.337 0.000 0.856 698 D CB 0.095 40.689 40.800 -0.345 0.000 0.922 698 D HN 0.454 nan 8.370 nan 0.000 0.518 699 D N -0.041 120.198 120.400 -0.268 0.000 2.256 699 D HA 0.225 4.864 4.640 -0.001 0.000 0.250 699 D C -0.798 175.413 176.300 -0.149 0.000 1.093 699 D CA -0.294 53.641 54.000 -0.109 0.000 0.882 699 D CB 1.158 41.933 40.800 -0.041 0.000 1.185 699 D HN -0.316 nan 8.370 nan 0.000 0.437 700 V N 4.271 124.071 119.914 -0.191 0.000 2.483 700 V HA 0.421 4.541 4.120 -0.001 0.000 0.297 700 V C -0.262 175.669 176.094 -0.272 0.000 1.027 700 V CA -0.673 61.412 62.300 -0.359 0.000 0.855 700 V CB 1.326 32.721 31.823 -0.713 0.000 0.995 700 V HN 0.618 nan 8.190 nan 0.000 0.424 701 Q N 2.098 121.774 119.800 -0.207 0.000 2.456 701 Q HA 0.760 5.100 4.340 -0.001 0.000 0.284 701 Q C -0.680 175.277 176.000 -0.071 0.000 1.061 701 Q CA -0.901 54.834 55.803 -0.114 0.000 0.799 701 Q CB 2.875 31.572 28.738 -0.068 0.000 1.445 701 Q HN 0.872 nan 8.270 nan 0.000 0.411 702 A N 0.971 123.785 122.820 -0.011 0.000 2.343 702 A HA 0.478 4.798 4.320 -0.001 0.000 0.305 702 A C -0.703 176.946 177.584 0.109 0.000 1.308 702 A CA -0.150 51.911 52.037 0.040 0.000 0.949 702 A CB -0.288 18.809 19.000 0.161 0.000 1.148 702 A HN 0.647 nan 8.150 nan 0.000 0.545 703 C N 1.726 121.073 119.300 0.078 0.000 2.797 703 C HA 0.765 5.224 4.460 -0.001 0.000 0.306 703 C C 1.202 176.284 174.990 0.153 0.000 1.207 703 C CA 0.286 59.419 59.018 0.191 0.000 1.507 703 C CB 1.428 29.357 27.740 0.316 0.000 2.028 703 C HN 1.009 nan 8.230 nan 0.000 0.475 704 G N 2.442 111.411 108.800 0.280 0.000 3.324 704 G HA2 0.458 4.418 3.960 -0.001 0.000 0.251 704 G HA3 0.458 4.418 3.960 -0.001 0.000 0.251 704 G C 0.565 175.758 174.900 0.488 0.000 1.072 704 G CA 0.641 45.983 45.100 0.403 0.000 0.787 704 G HN 1.129 nan 8.290 nan 0.000 0.537 705 G N 0.203 109.180 108.800 0.295 0.000 2.557 705 G HA2 0.455 4.414 3.960 -0.001 0.000 0.292 705 G HA3 0.455 4.414 3.960 -0.001 0.000 0.292 705 G C 0.152 174.780 174.900 -0.455 0.000 1.237 705 G CA 0.071 45.120 45.100 -0.085 0.000 0.978 705 G HN 0.338 nan 8.290 nan 0.000 0.498 706 T N -1.875 112.195 114.554 -0.807 0.000 2.771 706 T HA 0.576 4.926 4.350 -0.001 0.000 0.291 706 T C -0.485 173.683 174.700 -0.887 0.000 0.954 706 T CA -0.485 61.178 62.100 -0.727 0.000 1.045 706 T CB 1.037 69.498 68.868 -0.678 0.000 0.917 706 T HN 0.529 nan 8.240 nan 0.000 0.484 707 H N -0.086 118.614 119.070 -0.617 0.000 2.771 707 H HA 0.564 5.119 4.556 -0.001 0.000 0.367 707 H C 0.291 175.477 175.328 -0.238 0.000 1.172 707 H CA -0.770 55.020 56.048 -0.430 0.000 1.186 707 H CB 0.804 30.340 29.762 -0.377 0.000 1.790 707 H HN 0.827 nan 8.280 nan 0.000 0.556 708 C N 0.752 120.058 119.300 0.010 0.000 2.705 708 C HA 0.067 4.527 4.460 -0.001 0.000 0.365 708 C C 2.040 177.147 174.990 0.196 0.000 1.353 708 C CA -0.149 58.910 59.018 0.070 0.000 2.339 708 C CB 0.190 27.999 27.740 0.116 0.000 2.576 708 C HN 0.878 nan 8.230 nan 0.000 0.716 709 R N 0.460 121.074 120.500 0.190 0.000 2.161 709 R HA 0.041 4.381 4.340 -0.001 0.000 0.213 709 R C 0.524 176.849 176.300 0.042 0.000 1.055 709 R CA 0.967 57.152 56.100 0.143 0.000 0.996 709 R CB -0.013 30.363 30.300 0.128 0.000 0.901 709 R HN 0.883 nan 8.270 nan 0.000 0.456 710 S N -1.890 113.842 115.700 0.054 0.000 2.570 710 S HA 0.099 4.568 4.470 -0.001 0.000 0.270 710 S C 0.692 175.303 174.600 0.018 0.000 1.149 710 S CA -0.535 57.668 58.200 0.006 0.000 0.837 710 S CB 1.660 64.858 63.200 -0.005 0.000 1.124 710 S HN 0.134 nan 8.310 nan 0.000 0.465 711 T N -1.241 113.305 114.554 -0.014 0.000 2.929 711 T HA 0.036 4.385 4.350 -0.001 0.000 0.271 711 T C 1.930 176.633 174.700 0.005 0.000 1.085 711 T CA 1.533 63.626 62.100 -0.013 0.000 1.125 711 T CB -1.198 67.642 68.868 -0.046 0.000 0.874 711 T HN 1.092 nan 8.240 nan 0.000 0.494 712 G N 1.297 110.100 108.800 0.005 0.000 2.470 712 G HA2 -0.105 3.854 3.960 -0.001 0.000 0.220 712 G HA3 -0.105 3.854 3.960 -0.001 0.000 0.220 712 G C 1.396 176.313 174.900 0.028 0.000 1.121 712 G CA 0.410 45.515 45.100 0.009 0.000 0.766 712 G HN 0.667 nan 8.290 nan 0.000 0.553 713 E N -0.230 120.008 120.200 0.063 0.000 2.482 713 E HA 0.103 4.453 4.350 -0.001 0.000 0.196 713 E C 2.096 178.770 176.600 0.123 0.000 1.047 713 E CA -0.167 56.300 56.400 0.112 0.000 0.869 713 E CB 0.058 29.895 29.700 0.227 0.000 0.836 713 E HN 0.507 nan 8.360 nan 0.000 0.520 714 I N 0.684 121.300 120.570 0.077 0.000 2.353 714 I HA -0.062 4.108 4.170 -0.001 0.000 0.248 714 I C 1.337 177.471 176.117 0.029 0.000 1.119 714 I CA 0.734 62.068 61.300 0.057 0.000 1.417 714 I CB -0.434 37.583 38.000 0.028 0.000 1.078 714 I HN 0.131 nan 8.210 nan 0.000 0.421 718 K N 6.046 126.525 120.400 0.131 0.000 2.413 718 K HA 0.550 4.869 4.320 -0.001 0.000 0.257 718 K C -0.864 175.854 176.600 0.196 0.000 0.946 718 K CA -0.595 55.770 56.287 0.130 0.000 0.823 718 K CB 2.377 34.942 32.500 0.109 0.000 1.109 718 K HN 0.435 nan 8.250 nan 0.000 0.427 719 I N 4.903 125.579 120.570 0.176 0.000 2.421 719 I HA -0.031 4.139 4.170 -0.001 0.000 0.291 719 I C 1.078 177.296 176.117 0.169 0.000 1.089 719 I CA 0.082 61.522 61.300 0.234 0.000 1.354 719 I CB 0.472 38.613 38.000 0.235 0.000 1.413 719 I HN 0.578 nan 8.210 nan 0.000 0.513 720 L N 5.945 127.269 121.223 0.169 0.000 2.354 720 L HA 0.211 4.550 4.340 -0.001 0.000 0.212 720 L C 0.791 177.699 176.870 0.065 0.000 1.091 720 L CA 0.540 55.440 54.840 0.099 0.000 0.828 720 L CB -0.100 42.008 42.059 0.083 0.000 0.973 720 L HN 0.508 nan 8.230 nan 0.000 0.461 721 K N -0.004 120.437 120.400 0.068 0.000 2.557 721 K HA 0.464 4.784 4.320 -0.001 0.000 0.257 721 K C -1.837 174.723 176.600 -0.067 0.000 0.933 721 K CA -0.461 55.829 56.287 0.004 0.000 0.820 721 K CB 2.797 35.294 32.500 -0.005 0.000 1.330 721 K HN -0.329 nan 8.250 nan 0.000 0.432 722 V N 4.351 124.176 119.914 -0.150 0.000 2.376 722 V HA 0.349 4.468 4.120 -0.001 0.000 0.287 722 V C -0.801 175.146 176.094 -0.245 0.000 1.015 722 V CA -0.552 61.536 62.300 -0.354 0.000 0.834 722 V CB 1.320 32.916 31.823 -0.378 0.000 1.001 722 V HN 0.851 nan 8.190 nan 0.000 0.428 723 E N 2.721 122.778 120.200 -0.238 0.000 2.288 723 E HA 0.597 4.946 4.350 -0.001 0.000 0.268 723 E C -1.080 175.454 176.600 -0.110 0.000 0.885 723 E CA -0.865 55.455 56.400 -0.135 0.000 0.767 723 E CB 2.173 31.823 29.700 -0.083 0.000 1.220 723 E HN 0.338 nan 8.360 nan 0.000 0.427 724 S N 2.836 118.496 115.700 -0.066 0.000 2.955 724 S HA 0.191 4.661 4.470 -0.001 0.000 0.294 724 S C 1.134 175.723 174.600 -0.018 0.000 1.198 724 S CA -0.485 57.694 58.200 -0.034 0.000 1.008 724 S CB -0.468 62.719 63.200 -0.022 0.000 1.279 724 S HN 0.487 nan 8.310 nan 0.000 0.508 725 I N 1.782 122.346 120.570 -0.009 0.000 2.127 725 I HA -0.229 3.941 4.170 -0.001 0.000 0.241 725 I C 1.343 177.465 176.117 0.008 0.000 1.075 725 I CA 1.197 62.497 61.300 0.000 0.000 1.334 725 I CB -0.062 37.945 38.000 0.012 0.000 1.040 725 I HN 0.601 nan 8.210 nan 0.000 0.405 726 Q N -0.520 119.291 119.800 0.019 0.000 2.534 726 Q HA 0.310 4.650 4.340 -0.001 0.000 0.290 726 Q C -1.474 174.544 176.000 0.030 0.000 0.991 726 Q CA -1.028 54.789 55.803 0.023 0.000 0.783 726 Q CB 1.214 29.971 28.738 0.032 0.000 1.470 726 Q HN -0.129 nan 8.270 nan 0.000 0.406 727 D N 0.739 121.155 120.400 0.027 0.000 2.583 727 D HA 0.222 4.862 4.640 -0.001 0.000 0.232 727 D C 1.189 177.519 176.300 0.049 0.000 1.128 727 D CA 2.625 56.643 54.000 0.030 0.000 0.859 727 D CB 0.502 41.315 40.800 0.020 0.000 1.169 727 D HN 0.899 nan 8.370 nan 0.000 0.481 728 G N 0.999 109.835 108.800 0.060 0.000 2.179 728 G HA2 -0.226 3.734 3.960 -0.001 0.000 0.260 728 G HA3 -0.226 3.734 3.960 -0.001 0.000 0.260 728 G C 0.100 175.069 174.900 0.115 0.000 0.977 728 G CA 0.327 45.482 45.100 0.092 0.000 0.641 728 G HN 0.541 nan 8.290 nan 0.000 0.533 729 V N 1.955 121.926 119.914 0.096 0.000 2.525 729 V HA 0.661 4.780 4.120 -0.001 0.000 0.299 729 V C 0.250 176.401 176.094 0.095 0.000 1.034 729 V CA -0.521 61.846 62.300 0.111 0.000 0.863 729 V CB 1.734 33.610 31.823 0.089 0.000 0.999 729 V HN 0.693 nan 8.190 nan 0.000 0.423 730 I N 1.794 122.446 120.570 0.135 0.000 2.474 730 I HA 0.758 4.927 4.170 -0.001 0.000 0.294 730 I C -0.330 175.832 176.117 0.074 0.000 1.005 730 I CA -0.866 60.470 61.300 0.061 0.000 1.113 730 I CB 1.698 39.732 38.000 0.057 0.000 1.289 730 I HN 0.626 nan 8.210 nan 0.000 0.436 731 R N 5.012 125.477 120.500 -0.058 0.000 2.346 731 R HA 0.566 4.905 4.340 -0.001 0.000 0.311 731 R C -1.928 174.286 176.300 -0.144 0.000 0.983 731 R CA -0.398 55.706 56.100 0.007 0.000 0.880 731 R CB 1.031 31.330 30.300 -0.001 0.000 1.100 731 R HN 0.625 nan 8.270 nan 0.000 0.453 732 F N 2.528 122.539 119.950 0.101 0.000 2.426 732 F HA 0.338 4.865 4.527 -0.000 0.000 0.348 732 F C 0.050 175.989 175.800 0.231 0.000 1.124 732 F CA -0.570 57.521 58.000 0.151 0.000 1.008 732 F CB 1.953 41.044 39.000 0.152 0.000 1.139 732 F HN 0.443 nan 8.300 nan 0.000 0.452 733 E N 4.096 124.461 120.200 0.274 0.000 2.166 733 E HA 0.585 4.935 4.350 -0.001 0.000 0.275 733 E C -1.118 175.629 176.600 0.246 0.000 0.941 733 E CA -0.609 55.874 56.400 0.139 0.000 0.784 733 E CB 1.638 31.352 29.700 0.025 0.000 1.115 733 E HN 0.458 nan 8.360 nan 0.000 0.399 734 F N 0.456 120.492 119.950 0.142 0.000 2.685 734 F HA 0.862 5.389 4.527 0.001 0.000 0.315 734 F C -1.323 174.592 175.800 0.192 0.000 1.126 734 F CA -1.318 56.772 58.000 0.149 0.000 0.950 734 F CB 1.035 40.124 39.000 0.147 0.000 1.360 734 F HN 0.362 nan 8.300 nan 0.000 0.469 735 A N 0.849 123.871 122.820 0.337 0.000 2.386 735 A HA 0.927 5.247 4.320 -0.001 0.000 0.311 735 A C -1.376 176.343 177.584 0.225 0.000 1.068 735 A CA -0.461 51.752 52.037 0.293 0.000 0.743 735 A CB 1.198 20.317 19.000 0.197 0.000 1.258 735 A HN 1.784 nan 8.150 nan 0.000 0.429 736 A N 1.026 123.806 122.820 -0.067 0.000 2.340 736 A HA 0.649 4.968 4.320 -0.001 0.000 0.297 736 A C 0.848 178.346 177.584 -0.142 0.000 1.195 736 A CA 0.140 52.085 52.037 -0.152 0.000 0.769 736 A CB 0.053 18.902 19.000 -0.253 0.000 1.163 736 A HN 2.767 nan 8.150 nan 0.000 0.472 737 G N 1.993 110.779 108.800 -0.023 0.000 2.198 737 G HA2 -0.143 3.817 3.960 -0.001 0.000 0.260 737 G HA3 -0.143 3.817 3.960 -0.001 0.000 0.260 737 G C -0.035 174.886 174.900 0.035 0.000 1.025 737 G CA 1.236 46.339 45.100 0.006 0.000 0.769 737 G HN 1.700 nan 8.290 nan 0.000 0.507 738 E N -2.326 117.909 120.200 0.058 0.000 2.094 738 E HA 0.707 5.056 4.350 -0.001 0.000 0.237 738 E C 0.385 177.037 176.600 0.087 0.000 1.460 738 E CA -0.575 55.873 56.400 0.081 0.000 0.965 738 E CB -0.165 29.609 29.700 0.124 0.000 1.641 738 E HN 1.290 nan 8.360 nan 0.000 0.532 739 A N 0.000 122.871 122.820 0.085 0.000 2.254 739 A HA 0.000 4.320 4.320 -0.001 0.000 0.244 739 A CA 0.000 52.080 52.037 0.072 0.000 0.836 739 A CB 0.000 19.032 19.000 0.054 0.000 0.831 739 A HN 0.000 nan 8.150 nan 0.000 0.486