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 1qht_1_A DATA FIRST_RESID 1 DATA SEQUENCE MILDTDYITE NGKPVIRVFK KENGEFKIEY DRTFEPYFYA LLKDDSAIED DATA SEQUENCE VKKVTAKRHG TVVKVKRAEK VQKKFLGRPI EVWKLYFNHP QDVPAIRDRI DATA SEQUENCE RAHPAVVDIY EYDIPFAKRY LIDKGLIPME GDEELTMLAF AIATLYHEGE DATA SEQUENCE EFGTGPILMI SYADGSEARV ITWKKIDLPY VDVVSTEKEM IKRFLRVVRE DATA SEQUENCE KDPDVLITYN GDNFDFAYLK KRCEELGIKF TLGRDGSEPK IQRMGDRFAV DATA SEQUENCE EVKGRIHFDL YPVIRRTINL PTYTLEAVYE AVFGKPKEKV YAEEIAQAWE DATA SEQUENCE SGEGLERVAR YSMEDAKVTY ELGREFFPME AQLSRLIGQS LWDVSRSSTG DATA SEQUENCE NLVEWFLLRK AYKRNELAPN KPDERELARR RGGYAGGYVK EPERGLWDNI DATA SEQUENCE VYLDFRSLYP SIIITHNVSP DTLNREGcKE YDVAPEVGHK FcKDFPGFIP DATA SEQUENCE SLLGDLLEER QKIKRKMKAT VDPLEKKLLD YRQRAIKILA NSFYGYYGYA DATA SEQUENCE KARWYCKECA ESVTAWGREY IEMVIRELEE KFGFKVLYAD TDGLHATIPG DATA SEQUENCE ADAETVKKKA KEFLKYINXX XXXXLELEYE GFYVRGFFVT KKKYAVIDEE DATA SEQUENCE GKITTRGLEI VRRDWSEIAK ETQARVLEAI LKHGDVEEAV RIVKEVTXXX DATA SEQUENCE XXXXXXXXXL VIHEQIXXXX XXXXATGPHV AVAKRLAARG VKIRPGTVIS DATA SEQUENCE YIVLKXXXXX GDRAIPADEF XXXXXXXXXE YYIENQVLPA VERILKAFGY VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.311 176.300 0.018 0.000 1.140 1 M CA 0.000 55.311 55.300 0.018 0.000 0.988 1 M CB 0.000 32.623 32.600 0.038 0.000 1.302 2 I N 5.445 126.022 120.570 0.012 0.000 2.441 2 I HA 0.117 4.289 4.170 0.002 0.000 0.287 2 I C 0.511 176.659 176.117 0.051 0.000 1.049 2 I CA -0.065 61.245 61.300 0.017 0.000 1.381 2 I CB 1.172 39.173 38.000 0.000 0.000 1.409 2 I HN 0.801 nan 8.210 nan 0.000 0.523 3 L N 4.325 125.604 121.223 0.093 0.000 2.316 3 L HA 0.329 4.671 4.340 0.002 0.000 0.207 3 L C 0.299 177.247 176.870 0.131 0.000 1.070 3 L CA 0.477 55.393 54.840 0.127 0.000 0.820 3 L CB 0.024 42.189 42.059 0.176 0.000 0.992 3 L HN 0.621 nan 8.230 nan 0.000 0.466 4 D N -1.652 118.852 120.400 0.172 0.000 2.804 4 D HA 0.278 4.919 4.640 0.002 0.000 0.309 4 D C -1.269 175.170 176.300 0.232 0.000 1.311 4 D CA 0.074 54.180 54.000 0.176 0.000 0.765 4 D CB 1.402 42.294 40.800 0.154 0.000 1.293 4 D HN 0.010 nan 8.370 nan 0.000 0.434 5 T N -1.494 113.163 114.554 0.173 0.000 2.841 5 T HA 0.801 5.153 4.350 0.002 0.000 0.296 5 T C -1.433 173.344 174.700 0.129 0.000 1.166 5 T CA -0.612 61.522 62.100 0.057 0.000 1.007 5 T CB 2.592 71.419 68.868 -0.068 0.000 1.253 5 T HN 0.571 nan 8.240 nan 0.000 0.511 6 D N -0.617 119.819 120.400 0.060 0.000 2.764 6 D HA 0.339 4.980 4.640 0.002 0.000 0.293 6 D C -1.632 174.760 176.300 0.152 0.000 1.287 6 D CA -0.767 53.314 54.000 0.136 0.000 0.768 6 D CB 0.516 41.423 40.800 0.180 0.000 1.288 6 D HN 0.864 nan 8.370 nan 0.000 0.426 7 Y N -0.477 119.888 120.300 0.108 0.000 2.536 7 Y HA 0.805 5.356 4.550 0.002 0.000 0.347 7 Y C -1.669 174.304 175.900 0.121 0.000 1.000 7 Y CA -1.287 56.893 58.100 0.132 0.000 1.051 7 Y CB 1.323 39.944 38.460 0.269 0.000 1.259 7 Y HN 0.354 nan 8.280 nan 0.000 0.468 8 I N 1.699 122.399 120.570 0.218 0.000 2.689 8 I HA 0.494 4.665 4.170 0.002 0.000 0.299 8 I C -0.499 175.780 176.117 0.270 0.000 1.059 8 I CA -0.746 60.631 61.300 0.129 0.000 1.055 8 I CB 2.529 40.616 38.000 0.144 0.000 1.243 8 I HN 0.891 nan 8.210 nan 0.000 0.425 9 T N 5.427 120.115 114.554 0.222 0.000 2.875 9 T HA 0.524 4.875 4.350 0.002 0.000 0.284 9 T C -0.622 174.168 174.700 0.150 0.000 0.995 9 T CA -0.507 61.747 62.100 0.258 0.000 1.060 9 T CB 0.760 69.783 68.868 0.258 0.000 0.967 9 T HN 0.561 nan 8.240 nan 0.000 0.476 10 E N 2.708 122.989 120.200 0.136 0.000 2.448 10 E HA 0.244 4.595 4.350 0.002 0.000 0.288 10 E C -0.635 176.007 176.600 0.070 0.000 0.936 10 E CA -0.583 55.868 56.400 0.086 0.000 0.809 10 E CB 0.065 29.812 29.700 0.078 0.000 1.408 10 E HN 0.816 nan 8.360 nan 0.000 0.393 11 N N 3.251 121.980 118.700 0.049 0.000 2.815 11 N HA -0.234 4.507 4.740 0.002 0.000 0.248 11 N C 0.712 176.247 175.510 0.041 0.000 1.110 11 N CA 0.633 53.706 53.050 0.038 0.000 0.699 11 N CB -0.948 37.560 38.487 0.036 0.000 1.040 11 N HN 0.954 nan 8.380 nan 0.000 0.555 12 G N -0.745 108.076 108.800 0.035 0.000 2.304 12 G HA2 -0.376 3.585 3.960 0.002 0.000 0.252 12 G HA3 -0.376 3.585 3.960 0.002 0.000 0.252 12 G C 0.114 175.062 174.900 0.079 0.000 1.014 12 G CA 0.958 46.061 45.100 0.006 0.000 0.619 12 G HN 0.399 nan 8.290 nan 0.000 0.525 13 K N 1.746 122.221 120.400 0.126 0.000 2.118 13 K HA 0.479 4.801 4.320 0.002 0.000 0.267 13 K C -2.492 174.245 176.600 0.228 0.000 0.991 13 K CA -1.630 54.760 56.287 0.172 0.000 0.916 13 K CB 1.801 34.374 32.500 0.122 0.000 1.041 13 K HN 0.119 nan 8.250 nan 0.000 0.455 14 P HA 0.165 nan 4.420 nan 0.000 0.284 14 P C -0.900 176.550 177.300 0.251 0.000 1.253 14 P CA -0.466 62.725 63.100 0.153 0.000 0.800 14 P CB 1.001 32.481 31.700 -0.367 0.000 0.961 15 V N 4.584 124.688 119.914 0.318 0.000 2.447 15 V HA 0.257 4.378 4.120 0.002 0.000 0.292 15 V C 0.458 176.704 176.094 0.253 0.000 1.021 15 V CA -0.738 61.724 62.300 0.269 0.000 0.850 15 V CB 1.629 33.592 31.823 0.234 0.000 1.005 15 V HN 0.457 nan 8.190 nan 0.000 0.426 16 I N 4.537 125.185 120.570 0.130 0.000 2.575 16 I HA 0.391 4.562 4.170 0.002 0.000 0.285 16 I C 0.455 176.415 176.117 -0.262 0.000 1.085 16 I CA 0.073 61.301 61.300 -0.120 0.000 1.403 16 I CB 1.230 38.853 38.000 -0.627 0.000 1.409 16 I HN 0.597 nan 8.210 nan 0.000 0.557 17 R N 4.016 124.284 120.500 -0.387 0.000 2.534 17 R HA 0.589 4.931 4.340 0.002 0.000 0.301 17 R C -1.213 174.607 176.300 -0.801 0.000 0.961 17 R CA -0.599 55.076 56.100 -0.709 0.000 0.871 17 R CB 2.324 32.146 30.300 -0.796 0.000 1.170 17 R HN 0.320 nan 8.270 nan 0.000 0.446 18 V N 4.465 123.910 119.914 -0.782 0.000 2.334 18 V HA 0.380 4.502 4.120 0.002 0.000 0.281 18 V C -0.803 174.926 176.094 -0.609 0.000 1.016 18 V CA -0.720 61.254 62.300 -0.542 0.000 0.832 18 V CB 0.837 32.472 31.823 -0.312 0.000 0.999 18 V HN 0.559 nan 8.190 nan 0.000 0.439 19 F N 4.941 124.777 119.950 -0.191 0.000 2.413 19 F HA 0.527 5.055 4.527 0.002 0.000 0.359 19 F C 0.818 176.499 175.800 -0.198 0.000 1.122 19 F CA -0.418 57.452 58.000 -0.216 0.000 1.160 19 F CB 0.614 39.622 39.000 0.013 0.000 1.146 19 F HN 0.407 nan 8.300 nan 0.000 0.514 20 K N 1.881 122.158 120.400 -0.205 0.000 2.340 20 K HA 0.720 5.041 4.320 0.002 0.000 0.244 20 K C -1.213 175.309 176.600 -0.130 0.000 0.973 20 K CA -1.501 54.715 56.287 -0.119 0.000 0.828 20 K CB 2.447 34.871 32.500 -0.126 0.000 1.226 20 K HN 0.227 nan 8.250 nan 0.000 0.437 21 K N 1.675 122.072 120.400 -0.004 0.000 2.572 21 K HA 0.203 4.525 4.320 0.002 0.000 0.244 21 K C -1.581 175.037 176.600 0.029 0.000 0.965 21 K CA -0.107 56.212 56.287 0.052 0.000 0.943 21 K CB 1.238 33.814 32.500 0.128 0.000 1.154 21 K HN 0.610 nan 8.250 nan 0.000 0.447 22 E N 2.996 123.201 120.200 0.009 0.000 2.158 22 E HA 0.314 4.665 4.350 0.002 0.000 0.271 22 E C -0.678 175.936 176.600 0.022 0.000 0.911 22 E CA -0.573 55.832 56.400 0.009 0.000 0.767 22 E CB 0.892 30.584 29.700 -0.012 0.000 1.120 22 E HN 0.611 nan 8.360 nan 0.000 0.405 23 N N 3.092 121.808 118.700 0.026 0.000 2.705 23 N HA -0.277 4.464 4.740 0.002 0.000 0.255 23 N C 0.637 176.169 175.510 0.038 0.000 1.008 23 N CA 1.025 54.093 53.050 0.029 0.000 0.742 23 N CB -1.037 37.464 38.487 0.023 0.000 0.906 23 N HN 1.003 nan 8.380 nan 0.000 0.541 24 G N -0.423 108.405 108.800 0.048 0.000 2.234 24 G HA2 -0.348 3.613 3.960 0.002 0.000 0.260 24 G HA3 -0.348 3.613 3.960 0.002 0.000 0.260 24 G C -0.151 174.792 174.900 0.072 0.000 0.987 24 G CA 0.946 46.080 45.100 0.056 0.000 0.625 24 G HN 0.782 nan 8.290 nan 0.000 0.532 25 E N -0.152 120.092 120.200 0.073 0.000 2.187 25 E HA 0.653 5.005 4.350 0.002 0.000 0.268 25 E C -0.323 176.355 176.600 0.131 0.000 0.896 25 E CA -1.378 55.083 56.400 0.101 0.000 0.766 25 E CB 1.782 31.527 29.700 0.075 0.000 1.142 25 E HN 0.331 nan 8.360 nan 0.000 0.408 26 F N 3.008 122.977 119.950 0.031 0.000 2.471 26 F HA 0.307 4.835 4.527 0.002 0.000 0.353 26 F C -0.484 175.343 175.800 0.045 0.000 1.113 26 F CA 0.345 58.371 58.000 0.043 0.000 1.262 26 F CB 0.571 39.597 39.000 0.045 0.000 1.146 26 F HN 0.453 nan 8.300 nan 0.000 0.578 27 K N 6.193 126.069 120.400 -0.874 0.000 2.556 27 K HA 0.619 4.941 4.320 0.002 0.000 0.274 27 K C -1.673 174.445 176.600 -0.805 0.000 0.966 27 K CA -0.863 55.066 56.287 -0.596 0.000 0.865 27 K CB 2.406 34.746 32.500 -0.266 0.000 1.444 27 K HN 0.517 nan 8.250 nan 0.000 0.433 28 I N 1.053 121.343 120.570 -0.466 0.000 2.466 28 I HA 0.275 4.447 4.170 0.002 0.000 0.289 28 I C -0.594 175.205 176.117 -0.531 0.000 1.026 28 I CA -0.669 60.292 61.300 -0.565 0.000 1.078 28 I CB 2.000 39.708 38.000 -0.487 0.000 1.249 28 I HN 0.580 nan 8.210 nan 0.000 0.429 29 E N 5.450 125.299 120.200 -0.585 0.000 2.202 29 E HA 0.451 4.803 4.350 0.002 0.000 0.272 29 E C -1.825 174.427 176.600 -0.580 0.000 0.951 29 E CA -0.536 55.635 56.400 -0.381 0.000 0.813 29 E CB 1.846 31.406 29.700 -0.233 0.000 1.151 29 E HN 0.388 nan 8.360 nan 0.000 0.398 30 Y N 1.155 121.377 120.300 -0.129 0.000 2.509 30 Y HA 0.356 4.907 4.550 0.002 0.000 0.341 30 Y C -0.098 175.761 175.900 -0.069 0.000 1.038 30 Y CA -0.792 57.241 58.100 -0.112 0.000 1.089 30 Y CB 1.771 40.194 38.460 -0.062 0.000 1.241 30 Y HN 0.350 nan 8.280 nan 0.000 0.468 31 D N 1.152 121.600 120.400 0.081 0.000 2.616 31 D HA 0.301 4.943 4.640 0.002 0.000 0.238 31 D C -0.312 176.079 176.300 0.152 0.000 1.354 31 D CA -0.526 53.531 54.000 0.095 0.000 0.970 31 D CB 1.177 42.005 40.800 0.046 0.000 1.369 31 D HN 0.654 nan 8.370 nan 0.000 0.585 32 R N 0.874 121.475 120.500 0.167 0.000 2.362 32 R HA 0.099 4.441 4.340 0.002 0.000 0.227 32 R C 1.615 178.036 176.300 0.203 0.000 0.905 32 R CA 0.419 56.627 56.100 0.180 0.000 1.067 32 R CB 0.543 30.922 30.300 0.132 0.000 1.078 32 R HN 0.387 nan 8.270 nan 0.000 0.516 33 T N -2.213 112.478 114.554 0.228 0.000 3.067 33 T HA 0.069 4.420 4.350 0.002 0.000 0.257 33 T C 0.406 175.309 174.700 0.339 0.000 1.105 33 T CA -0.088 62.152 62.100 0.233 0.000 1.104 33 T CB -0.051 68.933 68.868 0.192 0.000 0.925 33 T HN -0.065 nan 8.240 nan 0.000 0.498 34 F N 3.345 123.432 119.950 0.228 0.000 2.504 34 F HA 0.383 4.912 4.527 0.002 0.000 0.369 34 F C 0.165 176.190 175.800 0.374 0.000 1.082 34 F CA -1.617 56.537 58.000 0.257 0.000 1.216 34 F CB 0.374 39.507 39.000 0.222 0.000 1.108 34 F HN 0.199 nan 8.300 nan 0.000 0.554 35 E N 7.441 127.624 120.200 -0.028 0.000 2.171 35 E HA 0.321 4.672 4.350 0.002 0.000 0.271 35 E C -2.468 174.194 176.600 0.103 0.000 0.916 35 E CA -2.178 54.301 56.400 0.131 0.000 0.774 35 E CB 1.240 31.055 29.700 0.192 0.000 1.128 35 E HN 0.327 nan 8.360 nan 0.000 0.403 36 P HA 0.059 nan 4.420 nan 0.000 0.274 36 P C -1.234 176.173 177.300 0.178 0.000 1.231 36 P CA 0.028 63.234 63.100 0.177 0.000 0.790 36 P CB 0.339 32.078 31.700 0.065 0.000 0.951 37 Y N -0.365 119.973 120.300 0.063 0.000 2.713 37 Y HA 0.760 5.311 4.550 0.002 0.000 0.335 37 Y C -1.484 174.439 175.900 0.039 0.000 1.222 37 Y CA -1.705 56.330 58.100 -0.109 0.000 1.061 37 Y CB 0.765 38.857 38.460 -0.613 0.000 1.314 37 Y HN 0.481 nan 8.280 nan 0.000 0.453 38 F N -1.104 118.892 119.950 0.077 0.000 2.713 38 F HA 0.797 5.325 4.527 0.002 0.000 0.311 38 F C -2.413 173.356 175.800 -0.051 0.000 1.141 38 F CA -2.041 55.984 58.000 0.041 0.000 0.939 38 F CB 0.954 40.079 39.000 0.209 0.000 1.325 38 F HN 0.474 nan 8.300 nan 0.000 0.453 39 Y N 1.334 122.016 120.300 0.636 0.000 2.387 39 Y HA 0.780 5.331 4.550 0.002 0.000 0.330 39 Y C 0.101 176.298 175.900 0.494 0.000 1.133 39 Y CA -0.847 57.510 58.100 0.428 0.000 1.152 39 Y CB 1.910 40.600 38.460 0.384 0.000 1.215 39 Y HN 0.953 nan 8.280 nan 0.000 0.466 40 A N 3.017 126.138 122.820 0.502 0.000 2.343 40 A HA 0.626 4.947 4.320 0.002 0.000 0.308 40 A C -1.775 176.031 177.584 0.371 0.000 1.092 40 A CA -0.655 51.613 52.037 0.385 0.000 0.751 40 A CB 0.816 19.962 19.000 0.243 0.000 1.203 40 A HN 0.716 nan 8.150 nan 0.000 0.452 41 L N 4.328 125.738 121.223 0.312 0.000 2.272 41 L HA 0.485 4.827 4.340 0.002 0.000 0.284 41 L C -0.696 176.280 176.870 0.177 0.000 1.045 41 L CA -0.152 54.837 54.840 0.249 0.000 0.842 41 L CB 0.186 42.394 42.059 0.249 0.000 1.224 41 L HN 0.635 nan 8.230 nan 0.000 0.430 42 L N 5.204 126.555 121.223 0.213 0.000 2.426 42 L HA 0.234 4.575 4.340 0.002 0.000 0.271 42 L C 1.349 178.274 176.870 0.091 0.000 1.169 42 L CA -0.273 54.639 54.840 0.121 0.000 0.836 42 L CB 0.661 42.810 42.059 0.150 0.000 1.112 42 L HN 0.702 nan 8.230 nan 0.000 0.465 43 K N 0.139 120.567 120.400 0.048 0.000 2.487 43 K HA 0.082 4.403 4.320 0.002 0.000 0.192 43 K C -0.459 176.169 176.600 0.047 0.000 1.027 43 K CA 0.185 56.500 56.287 0.046 0.000 1.054 43 K CB 0.222 32.744 32.500 0.037 0.000 0.824 43 K HN 0.540 nan 8.250 nan 0.000 0.510 44 D N 0.305 120.737 120.400 0.054 0.000 2.614 44 D HA 0.033 4.674 4.640 0.002 0.000 0.203 44 D C -0.800 175.550 176.300 0.084 0.000 1.312 44 D CA -0.508 53.527 54.000 0.058 0.000 0.889 44 D CB 1.536 42.358 40.800 0.037 0.000 1.615 44 D HN 0.072 nan 8.370 nan 0.000 0.567 45 D N 1.292 121.772 120.400 0.133 0.000 2.309 45 D HA -0.147 4.495 4.640 0.002 0.000 0.212 45 D C 1.682 178.072 176.300 0.149 0.000 0.968 45 D CA 1.771 55.909 54.000 0.230 0.000 0.882 45 D CB 0.531 41.464 40.800 0.222 0.000 0.918 45 D HN 0.285 nan 8.370 nan 0.000 0.503 46 S N -0.537 115.206 115.700 0.072 0.000 2.406 46 S HA -0.024 4.447 4.470 0.002 0.000 0.228 46 S C 2.016 176.606 174.600 -0.018 0.000 1.020 46 S CA 0.644 58.864 58.200 0.034 0.000 0.965 46 S CB -0.183 63.035 63.200 0.030 0.000 0.798 46 S HN 0.206 nan 8.310 nan 0.000 0.488 47 A N 0.858 123.654 122.820 -0.039 0.000 2.255 47 A HA 0.253 4.574 4.320 0.002 0.000 0.206 47 A C 1.742 179.205 177.584 -0.201 0.000 1.193 47 A CA 0.537 52.523 52.037 -0.084 0.000 0.794 47 A CB -0.848 18.106 19.000 -0.077 0.000 0.794 47 A HN 0.578 nan 8.150 nan 0.000 0.481 48 I N 0.048 120.443 120.570 -0.293 0.000 2.058 48 I HA -0.209 3.963 4.170 0.002 0.000 0.235 48 I C 2.062 177.952 176.117 -0.379 0.000 1.053 48 I CA 2.085 63.049 61.300 -0.560 0.000 1.313 48 I CB -0.348 37.053 38.000 -1.000 0.000 1.039 48 I HN 0.286 nan 8.210 nan 0.000 0.396 49 E N 0.660 120.704 120.200 -0.260 0.000 2.197 49 E HA -0.311 4.040 4.350 0.002 0.000 0.205 49 E C 1.925 178.460 176.600 -0.108 0.000 1.029 49 E CA 1.702 58.007 56.400 -0.159 0.000 0.828 49 E CB -0.688 28.957 29.700 -0.091 0.000 0.737 49 E HN 0.715 nan 8.360 nan 0.000 0.464 50 D N -0.611 119.742 120.400 -0.077 0.000 2.183 50 D HA -0.073 4.569 4.640 0.002 0.000 0.205 50 D C 1.878 178.201 176.300 0.037 0.000 0.962 50 D CA 0.667 54.667 54.000 0.000 0.000 0.849 50 D CB 0.175 41.011 40.800 0.060 0.000 0.978 50 D HN 0.072 nan 8.370 nan 0.000 0.488 51 V N 1.653 121.545 119.914 -0.036 0.000 2.594 51 V HA -0.189 3.932 4.120 0.002 0.000 0.253 51 V C 2.205 178.282 176.094 -0.029 0.000 1.069 51 V CA 1.453 63.736 62.300 -0.029 0.000 1.082 51 V CB -0.429 31.220 31.823 -0.290 0.000 0.680 51 V HN 0.277 nan 8.190 nan 0.000 0.469 52 K N 0.123 120.465 120.400 -0.096 0.000 2.486 52 K HA -0.051 4.270 4.320 0.002 0.000 0.194 52 K C 1.659 178.245 176.600 -0.023 0.000 1.033 52 K CA 0.541 56.777 56.287 -0.086 0.000 1.004 52 K CB -0.078 32.342 32.500 -0.134 0.000 0.798 52 K HN 0.391 nan 8.250 nan 0.000 0.495 53 K N 0.996 121.396 120.400 0.001 0.000 2.379 53 K HA 0.078 4.400 4.320 0.002 0.000 0.194 53 K C 0.294 176.915 176.600 0.034 0.000 1.031 53 K CA -0.068 56.227 56.287 0.014 0.000 1.037 53 K CB 0.475 32.980 32.500 0.008 0.000 0.824 53 K HN -0.114 nan 8.250 nan 0.000 0.516 54 V N 2.243 122.193 119.914 0.060 0.000 2.740 54 V HA 0.024 4.145 4.120 0.002 0.000 0.303 54 V C 0.594 176.734 176.094 0.077 0.000 1.054 54 V CA 0.140 62.483 62.300 0.071 0.000 1.106 54 V CB 0.901 32.792 31.823 0.113 0.000 0.957 54 V HN 0.395 nan 8.190 nan 0.000 0.486 55 T N 0.947 115.535 114.554 0.058 0.000 2.778 55 T HA 0.922 5.273 4.350 0.002 0.000 0.293 55 T C -0.626 174.095 174.700 0.036 0.000 1.144 55 T CA -0.207 61.927 62.100 0.057 0.000 1.010 55 T CB 2.254 71.146 68.868 0.040 0.000 1.325 55 T HN 1.362 nan 8.240 nan 0.000 0.515 56 A N 0.350 123.185 122.820 0.025 0.000 2.588 56 A HA 0.855 5.177 4.320 0.002 0.000 0.290 56 A C -1.502 176.083 177.584 0.000 0.000 1.136 56 A CA -1.012 51.027 52.037 0.002 0.000 0.681 56 A CB 1.497 20.487 19.000 -0.017 0.000 1.282 56 A HN 0.942 nan 8.150 nan 0.000 0.421 57 K N 0.080 120.476 120.400 -0.008 0.000 2.324 57 K HA 0.642 4.963 4.320 0.002 0.000 0.253 57 K C -0.778 175.813 176.600 -0.014 0.000 0.932 57 K CA -0.539 55.746 56.287 -0.003 0.000 0.799 57 K CB 1.830 34.334 32.500 0.006 0.000 1.154 57 K HN 0.692 nan 8.250 nan 0.000 0.425 58 R N 2.479 122.968 120.500 -0.019 0.000 2.538 58 R HA 0.222 4.564 4.340 0.002 0.000 0.292 58 R C -1.191 175.117 176.300 0.013 0.000 1.008 58 R CA -0.361 55.703 56.100 -0.060 0.000 0.896 58 R CB 0.680 30.891 30.300 -0.148 0.000 1.187 58 R HN 0.791 nan 8.270 nan 0.000 0.440 59 H N 2.793 121.854 119.070 -0.015 0.000 2.756 59 H HA -0.167 4.390 4.556 0.002 0.000 0.315 59 H C 1.125 176.444 175.328 -0.014 0.000 1.210 59 H CA 1.549 57.587 56.048 -0.017 0.000 1.150 59 H CB -1.398 28.346 29.762 -0.030 0.000 1.463 59 H HN 1.129 nan 8.280 nan 0.000 0.427 60 G N -1.233 107.628 108.800 0.102 0.000 2.451 60 G HA2 -0.383 3.578 3.960 0.002 0.000 0.253 60 G HA3 -0.383 3.578 3.960 0.002 0.000 0.253 60 G C 0.786 175.711 174.900 0.042 0.000 1.033 60 G CA 1.721 46.853 45.100 0.053 0.000 0.633 60 G HN 1.236 nan 8.290 nan 0.000 0.537 61 T N -1.190 113.395 114.554 0.051 0.000 2.904 61 T HA 0.588 4.939 4.350 0.002 0.000 0.290 61 T C 0.322 175.034 174.700 0.021 0.000 1.018 61 T CA 0.122 62.241 62.100 0.033 0.000 1.075 61 T CB 1.926 70.814 68.868 0.034 0.000 0.986 61 T HN 0.968 nan 8.240 nan 0.000 0.523 62 V N 4.273 124.199 119.914 0.020 0.000 2.465 62 V HA 0.591 4.713 4.120 0.002 0.000 0.279 62 V C 0.089 176.200 176.094 0.027 0.000 1.045 62 V CA -0.295 62.017 62.300 0.020 0.000 0.938 62 V CB 1.185 33.020 31.823 0.020 0.000 0.986 62 V HN 0.950 nan 8.190 nan 0.000 0.467 63 V N 5.275 125.207 119.914 0.029 0.000 2.581 63 V HA 0.787 4.908 4.120 0.002 0.000 0.303 63 V C -0.568 175.580 176.094 0.090 0.000 1.041 63 V CA -0.507 61.825 62.300 0.054 0.000 0.907 63 V CB 1.558 33.395 31.823 0.023 0.000 0.994 63 V HN 0.981 nan 8.190 nan 0.000 0.442 64 K N 3.098 123.584 120.400 0.143 0.000 2.399 64 K HA 0.736 5.058 4.320 0.002 0.000 0.260 64 K C -1.368 175.393 176.600 0.268 0.000 1.049 64 K CA -0.845 55.544 56.287 0.170 0.000 0.890 64 K CB 2.542 35.096 32.500 0.090 0.000 1.430 64 K HN 0.662 nan 8.250 nan 0.000 0.459 65 V N 3.470 123.487 119.914 0.171 0.000 2.521 65 V HA 0.005 4.127 4.120 0.002 0.000 0.286 65 V C 1.445 177.475 176.094 -0.107 0.000 1.034 65 V CA 0.296 62.549 62.300 -0.079 0.000 1.045 65 V CB 1.044 32.752 31.823 -0.190 0.000 0.974 65 V HN 0.777 nan 8.190 nan 0.000 0.480 66 K N 4.794 125.094 120.400 -0.166 0.000 2.167 66 K HA 0.048 4.369 4.320 0.002 0.000 0.203 66 K C 0.822 177.369 176.600 -0.089 0.000 1.052 66 K CA 0.788 57.034 56.287 -0.068 0.000 0.956 66 K CB 0.302 32.793 32.500 -0.014 0.000 0.735 66 K HN 0.730 nan 8.250 nan 0.000 0.451 67 R N -1.122 119.301 120.500 -0.129 0.000 2.833 67 R HA 0.328 4.670 4.340 0.002 0.000 0.259 67 R C -2.302 174.003 176.300 0.008 0.000 1.047 67 R CA -0.318 55.751 56.100 -0.053 0.000 0.916 67 R CB 1.012 31.276 30.300 -0.059 0.000 1.259 67 R HN 0.027 nan 8.270 nan 0.000 0.482 68 A N 2.951 125.795 122.820 0.041 0.000 2.374 68 A HA 0.618 4.940 4.320 0.002 0.000 0.305 68 A C -1.280 176.509 177.584 0.341 0.000 1.053 68 A CA -0.610 51.501 52.037 0.123 0.000 0.726 68 A CB 1.547 20.505 19.000 -0.070 0.000 1.229 68 A HN 0.793 nan 8.150 nan 0.000 0.431 69 E N 2.108 122.571 120.200 0.439 0.000 2.340 69 E HA 0.481 4.833 4.350 0.002 0.000 0.273 69 E C -1.200 175.461 176.600 0.102 0.000 0.891 69 E CA -1.015 55.595 56.400 0.350 0.000 0.757 69 E CB 1.729 31.558 29.700 0.216 0.000 1.231 69 E HN 0.339 nan 8.360 nan 0.000 0.439 70 K N 1.910 122.073 120.400 -0.396 0.000 2.276 70 K HA 0.312 4.634 4.320 0.002 0.000 0.283 70 K C -0.297 176.080 176.600 -0.371 0.000 1.044 70 K CA -0.326 55.450 56.287 -0.851 0.000 0.944 70 K CB 1.448 33.260 32.500 -1.146 0.000 1.012 70 K HN 0.516 nan 8.250 nan 0.000 0.472 71 V N 0.347 120.076 119.914 -0.308 0.000 3.040 71 V HA 0.463 4.584 4.120 0.002 0.000 0.312 71 V C -1.043 174.933 176.094 -0.198 0.000 1.115 71 V CA -1.171 61.022 62.300 -0.178 0.000 0.998 71 V CB 1.873 33.648 31.823 -0.080 0.000 1.042 71 V HN 0.677 nan 8.190 nan 0.000 0.433 72 Q N 1.840 121.545 119.800 -0.158 0.000 2.333 72 Q HA 0.660 5.002 4.340 0.002 0.000 0.265 72 Q C -0.713 175.200 176.000 -0.145 0.000 0.989 72 Q CA -0.355 55.359 55.803 -0.149 0.000 0.842 72 Q CB 1.459 30.125 28.738 -0.120 0.000 1.262 72 Q HN 0.897 nan 8.270 nan 0.000 0.451 73 K N 2.345 122.649 120.400 -0.161 0.000 2.399 73 K HA 0.629 4.950 4.320 0.002 0.000 0.260 73 K C -1.040 175.491 176.600 -0.115 0.000 1.049 73 K CA -1.245 54.946 56.287 -0.159 0.000 0.890 73 K CB 1.581 33.937 32.500 -0.240 0.000 1.430 73 K HN 0.282 nan 8.250 nan 0.000 0.459 74 K N 0.928 121.273 120.400 -0.091 0.000 2.323 74 K HA 0.347 4.668 4.320 0.002 0.000 0.259 74 K C -1.547 175.053 176.600 0.001 0.000 0.947 74 K CA -0.591 55.669 56.287 -0.045 0.000 0.819 74 K CB 1.271 33.742 32.500 -0.048 0.000 1.109 74 K HN 0.380 nan 8.250 nan 0.000 0.429 75 F N 5.006 124.867 119.950 -0.148 0.000 2.308 75 F HA 0.285 4.813 4.527 0.002 0.000 0.370 75 F C 0.339 176.098 175.800 -0.067 0.000 1.100 75 F CA -0.811 57.095 58.000 -0.157 0.000 1.108 75 F CB 0.117 38.989 39.000 -0.214 0.000 1.293 75 F HN 0.605 nan 8.300 nan 0.000 0.478 76 L N 6.359 127.330 121.223 -0.421 0.000 3.512 76 L HA -0.279 4.063 4.340 0.002 0.000 0.446 76 L C 1.122 177.971 176.870 -0.036 0.000 1.290 76 L CA 0.746 55.430 54.840 -0.260 0.000 0.871 76 L CB -1.542 40.292 42.059 -0.375 0.000 1.767 76 L HN 1.086 nan 8.230 nan 0.000 0.855 77 G N -0.720 108.074 108.800 -0.011 0.000 2.267 77 G HA2 -0.316 3.645 3.960 0.002 0.000 0.257 77 G HA3 -0.316 3.645 3.960 0.002 0.000 0.257 77 G C 0.422 175.310 174.900 -0.021 0.000 0.998 77 G CA 0.611 45.739 45.100 0.047 0.000 0.620 77 G HN 0.438 nan 8.290 nan 0.000 0.529 78 R N 1.182 121.670 120.500 -0.019 0.000 2.407 78 R HA 0.471 4.812 4.340 0.002 0.000 0.303 78 R C -2.548 173.745 176.300 -0.012 0.000 0.981 78 R CA -1.972 54.113 56.100 -0.026 0.000 0.905 78 R CB 1.207 31.502 30.300 -0.007 0.000 1.099 78 R HN 0.066 nan 8.270 nan 0.000 0.459 79 P HA -0.009 nan 4.420 nan 0.000 0.264 79 P C -0.689 176.590 177.300 -0.036 0.000 1.183 79 P CA 0.548 63.623 63.100 -0.042 0.000 0.763 79 P CB 0.544 32.215 31.700 -0.049 0.000 0.807 80 I N 1.213 121.746 120.570 -0.061 0.000 2.752 80 I HA 0.262 4.434 4.170 0.002 0.000 0.295 80 I C -0.840 175.206 176.117 -0.118 0.000 1.219 80 I CA -0.752 60.502 61.300 -0.077 0.000 1.030 80 I CB 2.223 40.173 38.000 -0.084 0.000 1.259 80 I HN 0.181 nan 8.210 nan 0.000 0.423 81 E N 6.180 126.308 120.200 -0.119 0.000 2.155 81 E HA 0.518 4.869 4.350 0.002 0.000 0.264 81 E C -1.250 175.248 176.600 -0.169 0.000 0.886 81 E CA -0.530 55.770 56.400 -0.167 0.000 0.752 81 E CB 2.180 31.779 29.700 -0.168 0.000 1.133 81 E HN 0.432 nan 8.360 nan 0.000 0.414 82 V N 0.130 119.928 119.914 -0.194 0.000 3.126 82 V HA 0.601 4.723 4.120 0.002 0.000 0.314 82 V C -1.053 174.965 176.094 -0.127 0.000 1.138 82 V CA -1.177 61.078 62.300 -0.076 0.000 1.034 82 V CB 1.454 33.283 31.823 0.010 0.000 1.075 82 V HN 0.573 nan 8.190 nan 0.000 0.442 83 W N 1.022 122.382 121.300 0.100 0.000 2.349 83 W HA 0.565 5.226 4.660 0.002 0.000 0.309 83 W C 0.389 176.955 176.519 0.078 0.000 1.083 83 W CA -0.294 57.086 57.345 0.058 0.000 1.224 83 W CB 1.410 30.872 29.460 0.003 0.000 1.256 83 W HN 0.581 nan 8.180 nan 0.000 0.461 84 K N 5.116 125.658 120.400 0.236 0.000 2.273 84 K HA 0.304 4.626 4.320 0.002 0.000 0.287 84 K C -0.686 175.747 176.600 -0.277 0.000 1.089 84 K CA -0.288 55.943 56.287 -0.093 0.000 0.909 84 K CB 0.173 32.546 32.500 -0.212 0.000 1.123 84 K HN 0.509 nan 8.250 nan 0.000 0.473 85 L N 5.865 126.825 121.223 -0.439 0.000 2.265 85 L HA 0.295 4.636 4.340 0.002 0.000 0.288 85 L C -0.508 175.898 176.870 -0.774 0.000 1.058 85 L CA -0.870 53.612 54.840 -0.597 0.000 0.809 85 L CB 0.239 41.827 42.059 -0.784 0.000 1.179 85 L HN 0.527 nan 8.230 nan 0.000 0.429 86 Y N 2.715 122.677 120.300 -0.562 0.000 2.403 86 Y HA 0.568 5.120 4.550 0.002 0.000 0.323 86 Y C -0.051 175.365 175.900 -0.808 0.000 1.226 86 Y CA -0.101 57.741 58.100 -0.429 0.000 1.235 86 Y CB 1.332 39.670 38.460 -0.204 0.000 1.248 86 Y HN 0.285 nan 8.280 nan 0.000 0.489 87 F N -0.727 119.312 119.950 0.148 0.000 2.706 87 F HA 0.366 4.895 4.527 0.002 0.000 0.328 87 F C 0.495 176.330 175.800 0.058 0.000 1.123 87 F CA -1.074 56.967 58.000 0.068 0.000 0.978 87 F CB 1.220 40.241 39.000 0.035 0.000 1.404 87 F HN 0.339 nan 8.300 nan 0.000 0.497 88 N N -1.816 117.046 118.700 0.269 0.000 2.439 88 N HA -0.021 4.720 4.740 0.002 0.000 0.176 88 N C -0.603 174.975 175.510 0.115 0.000 1.029 88 N CA 0.456 53.599 53.050 0.155 0.000 0.886 88 N CB 0.308 38.875 38.487 0.133 0.000 1.057 88 N HN 0.321 nan 8.380 nan 0.000 0.437 89 H N -0.216 118.840 119.070 -0.023 0.000 2.667 89 H HA 0.179 4.737 4.556 0.002 0.000 0.353 89 H C -2.074 173.088 175.328 -0.277 0.000 1.072 89 H CA -2.005 53.935 56.048 -0.179 0.000 1.214 89 H CB 2.283 31.977 29.762 -0.113 0.000 1.600 89 H HN -0.127 nan 8.280 nan 0.000 0.527 90 P HA -0.217 nan 4.420 nan 0.000 0.218 90 P C 1.178 178.272 177.300 -0.342 0.000 1.150 90 P CA 1.189 63.816 63.100 -0.788 0.000 0.841 90 P CB 0.454 31.368 31.700 -1.310 0.000 0.784 91 Q N -0.764 118.953 119.800 -0.139 0.000 2.369 91 Q HA -0.083 4.258 4.340 0.002 0.000 0.206 91 Q C 1.664 177.638 176.000 -0.043 0.000 0.963 91 Q CA 0.924 56.758 55.803 0.053 0.000 0.894 91 Q CB -0.849 28.023 28.738 0.224 0.000 0.965 91 Q HN 0.347 nan 8.270 nan 0.000 0.475 92 D N -0.122 120.234 120.400 -0.072 0.000 2.104 92 D HA -0.122 4.519 4.640 0.002 0.000 0.194 92 D C 1.992 178.083 176.300 -0.347 0.000 0.994 92 D CA 0.810 54.698 54.000 -0.187 0.000 0.830 92 D CB -0.078 40.610 40.800 -0.186 0.000 0.959 92 D HN 0.021 nan 8.370 nan 0.000 0.452 93 V N 1.901 121.586 119.914 -0.382 0.000 2.218 93 V HA -0.255 3.867 4.120 0.002 0.000 0.251 93 V C -0.655 175.300 176.094 -0.233 0.000 1.057 93 V CA 2.336 64.440 62.300 -0.326 0.000 1.022 93 V CB -1.733 30.017 31.823 -0.122 0.000 0.645 93 V HN 0.178 nan 8.190 nan 0.000 0.451 94 P HA -0.140 nan 4.420 nan 0.000 0.220 94 P C 1.383 178.607 177.300 -0.127 0.000 1.144 94 P CA 1.893 64.922 63.100 -0.119 0.000 0.800 94 P CB -0.134 31.531 31.700 -0.059 0.000 0.772 95 A N -0.600 122.139 122.820 -0.134 0.000 1.835 95 A HA -0.094 4.228 4.320 0.002 0.000 0.213 95 A C 2.203 179.724 177.584 -0.105 0.000 1.210 95 A CA 1.136 53.108 52.037 -0.108 0.000 0.605 95 A CB -1.467 17.472 19.000 -0.102 0.000 0.860 95 A HN 0.140 nan 8.150 nan 0.000 0.447 96 I N -1.142 119.354 120.570 -0.124 0.000 2.546 96 I HA -0.162 4.009 4.170 0.002 0.000 0.255 96 I C 2.363 178.451 176.117 -0.048 0.000 1.163 96 I CA 0.701 61.967 61.300 -0.056 0.000 1.457 96 I CB -0.184 37.803 38.000 -0.021 0.000 1.092 96 I HN 0.376 nan 8.210 nan 0.000 0.434 97 R N 0.918 121.324 120.500 -0.156 0.000 2.344 97 R HA -0.356 3.986 4.340 0.002 0.000 0.216 97 R C 1.700 177.838 176.300 -0.271 0.000 1.089 97 R CA 2.988 58.889 56.100 -0.332 0.000 0.804 97 R CB -0.820 29.248 30.300 -0.386 0.000 0.929 97 R HN 0.385 nan 8.270 nan 0.000 0.393 98 D N -0.958 119.303 120.400 -0.232 0.000 2.182 98 D HA -0.135 4.507 4.640 0.002 0.000 0.201 98 D C 2.048 178.291 176.300 -0.096 0.000 0.986 98 D CA 1.384 55.274 54.000 -0.184 0.000 0.847 98 D CB -0.145 40.568 40.800 -0.146 0.000 0.942 98 D HN 0.370 nan 8.370 nan 0.000 0.467 99 R N -0.029 120.441 120.500 -0.050 0.000 2.115 99 R HA 0.094 4.435 4.340 0.002 0.000 0.226 99 R C 2.210 178.542 176.300 0.053 0.000 1.100 99 R CA 0.472 56.570 56.100 -0.003 0.000 0.980 99 R CB -0.029 30.273 30.300 0.004 0.000 0.875 99 R HN 0.243 nan 8.270 nan 0.000 0.445 100 I N 0.623 121.247 120.570 0.090 0.000 2.286 100 I HA -0.239 3.932 4.170 0.002 0.000 0.245 100 I C 2.737 178.929 176.117 0.124 0.000 1.104 100 I CA 1.106 62.507 61.300 0.168 0.000 1.397 100 I CB -0.415 37.775 38.000 0.317 0.000 1.072 100 I HN 0.205 nan 8.210 nan 0.000 0.417 101 R N 1.800 122.321 120.500 0.036 0.000 2.083 101 R HA -0.169 4.172 4.340 0.002 0.000 0.237 101 R C 2.227 178.532 176.300 0.009 0.000 1.137 101 R CA 1.821 57.908 56.100 -0.021 0.000 0.951 101 R CB -0.281 29.929 30.300 -0.151 0.000 0.851 101 R HN 0.287 nan 8.270 nan 0.000 0.434 102 A N 1.292 124.114 122.820 0.004 0.000 2.178 102 A HA -0.141 4.180 4.320 0.002 0.000 0.218 102 A C 0.693 178.318 177.584 0.068 0.000 1.157 102 A CA 0.443 52.487 52.037 0.012 0.000 0.689 102 A CB -0.809 18.182 19.000 -0.015 0.000 0.787 102 A HN 0.530 nan 8.150 nan 0.000 0.465 103 H N 1.172 120.233 119.070 -0.014 0.000 3.004 103 H HA 0.071 4.629 4.556 0.002 0.000 0.316 103 H C -1.499 173.824 175.328 -0.008 0.000 1.014 103 H CA -1.528 54.514 56.048 -0.009 0.000 1.454 103 H CB 0.945 30.706 29.762 -0.003 0.000 1.472 103 H HN 0.094 nan 8.280 nan 0.000 0.571 104 P HA -0.153 nan 4.420 nan 0.000 0.218 104 P C 0.485 177.937 177.300 0.253 0.000 1.146 104 P CA 1.761 64.994 63.100 0.222 0.000 0.820 104 P CB 0.097 31.844 31.700 0.078 0.000 0.778 105 A N -0.874 122.163 122.820 0.362 0.000 2.507 105 A HA 0.346 4.668 4.320 0.002 0.000 0.270 105 A C 0.412 177.930 177.584 -0.110 0.000 1.318 105 A CA -0.071 51.969 52.037 0.006 0.000 0.924 105 A CB 0.030 18.974 19.000 -0.094 0.000 1.061 105 A HN 0.037 nan 8.150 nan 0.000 0.516 106 V N 0.018 119.910 119.914 -0.037 0.000 2.531 106 V HA 0.158 4.280 4.120 0.002 0.000 0.301 106 V C 1.183 177.287 176.094 0.016 0.000 1.034 106 V CA -0.355 61.929 62.300 -0.027 0.000 0.865 106 V CB 1.760 33.563 31.823 -0.033 0.000 0.995 106 V HN 0.179 nan 8.190 nan 0.000 0.424 107 V N 2.525 122.454 119.914 0.026 0.000 2.302 107 V HA 0.082 4.204 4.120 0.002 0.000 0.243 107 V C 0.607 176.693 176.094 -0.014 0.000 1.036 107 V CA 1.666 63.980 62.300 0.023 0.000 1.020 107 V CB -0.117 31.735 31.823 0.048 0.000 0.657 107 V HN 0.970 nan 8.190 nan 0.000 0.453 108 D N -2.259 118.120 120.400 -0.035 0.000 2.725 108 D HA 0.412 5.053 4.640 0.002 0.000 0.292 108 D C -1.581 174.573 176.300 -0.242 0.000 1.288 108 D CA -0.407 53.481 54.000 -0.187 0.000 0.784 108 D CB 1.827 42.448 40.800 -0.299 0.000 1.308 108 D HN 0.193 nan 8.370 nan 0.000 0.429 109 I N -1.643 118.668 120.570 -0.432 0.000 2.934 109 I HA 0.738 4.910 4.170 0.002 0.000 0.306 109 I C -1.347 174.574 176.117 -0.326 0.000 1.110 109 I CA -0.790 60.414 61.300 -0.159 0.000 1.019 109 I CB 2.218 40.232 38.000 0.023 0.000 1.227 109 I HN 0.234 nan 8.210 nan 0.000 0.434 110 Y N 0.243 120.853 120.300 0.517 0.000 2.581 110 Y HA 0.422 4.973 4.550 0.002 0.000 0.345 110 Y C -0.038 176.115 175.900 0.421 0.000 1.036 110 Y CA -1.012 57.332 58.100 0.407 0.000 1.042 110 Y CB 1.443 40.050 38.460 0.245 0.000 1.289 110 Y HN 0.742 nan 8.280 nan 0.000 0.471 111 E N 0.382 120.731 120.200 0.249 0.000 2.297 111 E HA -0.283 4.069 4.350 0.002 0.000 0.228 111 E C -0.789 175.876 176.600 0.109 0.000 1.213 111 E CA 0.825 57.327 56.400 0.169 0.000 0.712 111 E CB -1.221 28.766 29.700 0.479 0.000 1.202 111 E HN 0.698 nan 8.360 nan 0.000 0.376 112 Y N -1.574 118.765 120.300 0.066 0.000 2.507 112 Y HA 0.307 4.859 4.550 0.002 0.000 0.254 112 Y C 0.690 176.532 175.900 -0.097 0.000 1.171 112 Y CA -0.051 57.982 58.100 -0.111 0.000 1.238 112 Y CB 0.324 38.472 38.460 -0.521 0.000 1.148 112 Y HN 0.022 nan 8.280 nan 0.000 0.525 113 D N 0.194 120.485 120.400 -0.181 0.000 2.760 113 D HA 0.162 4.803 4.640 0.002 0.000 0.314 113 D C -0.428 175.879 176.300 0.012 0.000 1.464 113 D CA -0.057 53.918 54.000 -0.042 0.000 0.797 113 D CB -0.383 40.373 40.800 -0.074 0.000 1.149 113 D HN 0.209 nan 8.370 nan 0.000 0.455 114 I N 1.331 121.934 120.570 0.056 0.000 2.307 114 I HA 0.313 4.484 4.170 0.002 0.000 0.289 114 I C -2.265 173.983 176.117 0.218 0.000 1.021 114 I CA -1.994 59.408 61.300 0.170 0.000 1.224 114 I CB 0.588 38.696 38.000 0.179 0.000 1.376 114 I HN -0.306 nan 8.210 nan 0.000 0.470 115 P HA -0.055 nan 4.420 nan 0.000 0.260 115 P C 0.838 178.317 177.300 0.298 0.000 1.172 115 P CA 0.121 63.390 63.100 0.282 0.000 0.760 115 P CB 0.396 32.273 31.700 0.294 0.000 0.773 116 F N 4.386 124.401 119.950 0.109 0.000 2.085 116 F HA -0.352 4.177 4.527 0.002 0.000 0.299 116 F C 2.155 178.077 175.800 0.203 0.000 1.096 116 F CA 2.488 60.545 58.000 0.094 0.000 1.227 116 F CB -0.756 38.163 39.000 -0.136 0.000 0.983 116 F HN 0.390 nan 8.300 nan 0.000 0.482 117 A N -0.339 122.659 122.820 0.297 0.000 2.015 117 A HA -0.135 4.186 4.320 0.002 0.000 0.219 117 A C 2.194 179.812 177.584 0.057 0.000 1.163 117 A CA 1.397 53.512 52.037 0.130 0.000 0.646 117 A CB -0.423 18.682 19.000 0.175 0.000 0.806 117 A HN 0.340 nan 8.150 nan 0.000 0.448 118 K N -0.301 120.141 120.400 0.071 0.000 2.076 118 K HA -0.059 4.263 4.320 0.002 0.000 0.204 118 K C 2.044 178.657 176.600 0.022 0.000 1.051 118 K CA 1.294 57.562 56.287 -0.033 0.000 0.949 118 K CB -0.400 32.048 32.500 -0.088 0.000 0.726 118 K HN 0.418 nan 8.250 nan 0.000 0.443 119 R N 0.789 121.355 120.500 0.110 0.000 2.105 119 R HA -0.187 4.155 4.340 0.002 0.000 0.239 119 R C 2.200 178.522 176.300 0.036 0.000 1.135 119 R CA 1.291 57.464 56.100 0.121 0.000 0.967 119 R CB -0.781 29.610 30.300 0.152 0.000 0.861 119 R HN 0.256 nan 8.270 nan 0.000 0.442 120 Y N 0.221 120.378 120.300 -0.237 0.000 2.145 120 Y HA -0.129 4.422 4.550 0.002 0.000 0.286 120 Y C 1.746 177.355 175.900 -0.484 0.000 1.145 120 Y CA 1.896 59.562 58.100 -0.723 0.000 1.148 120 Y CB -0.110 37.897 38.460 -0.756 0.000 0.981 120 Y HN 0.050 nan 8.280 nan 0.000 0.507 121 L N -0.593 120.548 121.223 -0.136 0.000 2.046 121 L HA -0.246 4.096 4.340 0.002 0.000 0.208 121 L C 2.289 179.035 176.870 -0.207 0.000 1.077 121 L CA 1.445 56.198 54.840 -0.144 0.000 0.747 121 L CB -0.522 41.484 42.059 -0.087 0.000 0.896 121 L HN 0.302 nan 8.230 nan 0.000 0.432 122 I N -0.063 120.395 120.570 -0.186 0.000 2.094 122 I HA -0.285 3.886 4.170 0.002 0.000 0.234 122 I C 1.894 177.768 176.117 -0.405 0.000 1.063 122 I CA 1.426 62.610 61.300 -0.193 0.000 1.328 122 I CB -0.383 37.560 38.000 -0.094 0.000 1.058 122 I HN 0.191 nan 8.210 nan 0.000 0.400 123 D N 0.766 120.817 120.400 -0.582 0.000 2.357 123 D HA -0.151 4.491 4.640 0.002 0.000 0.216 123 D C 1.691 177.764 176.300 -0.380 0.000 0.973 123 D CA 0.967 54.521 54.000 -0.744 0.000 0.912 123 D CB -0.109 40.549 40.800 -0.236 0.000 0.900 123 D HN 0.179 nan 8.370 nan 0.000 0.501 124 K N -0.852 119.272 120.400 -0.459 0.000 2.358 124 K HA 0.243 4.564 4.320 0.002 0.000 0.200 124 K C 1.031 177.500 176.600 -0.219 0.000 1.030 124 K CA 0.352 56.394 56.287 -0.410 0.000 1.097 124 K CB 0.721 32.764 32.500 -0.762 0.000 0.862 124 K HN 0.088 nan 8.250 nan 0.000 0.534 125 G N 2.328 111.029 108.800 -0.165 0.000 2.295 125 G HA2 -0.256 3.706 3.960 0.002 0.000 0.287 125 G HA3 -0.256 3.706 3.960 0.002 0.000 0.287 125 G C -0.193 174.657 174.900 -0.084 0.000 1.055 125 G CA 0.135 45.189 45.100 -0.078 0.000 0.922 125 G HN 0.193 nan 8.290 nan 0.000 0.503 126 L N 0.267 121.422 121.223 -0.114 0.000 2.307 126 L HA 0.617 4.959 4.340 0.002 0.000 0.282 126 L C 0.480 177.317 176.870 -0.055 0.000 1.051 126 L CA -1.122 53.670 54.840 -0.080 0.000 0.804 126 L CB 1.385 43.394 42.059 -0.083 0.000 1.197 126 L HN 0.011 nan 8.230 nan 0.000 0.431 127 I N 3.904 124.454 120.570 -0.034 0.000 2.382 127 I HA 0.350 4.521 4.170 0.002 0.000 0.285 127 I C -2.280 173.827 176.117 -0.017 0.000 1.007 127 I CA -2.190 59.096 61.300 -0.023 0.000 1.142 127 I CB 1.527 39.521 38.000 -0.010 0.000 1.289 127 I HN 0.225 nan 8.210 nan 0.000 0.453 128 P HA 0.190 nan 4.420 nan 0.000 0.269 128 P C 0.097 177.390 177.300 -0.011 0.000 1.209 128 P CA -0.087 63.008 63.100 -0.009 0.000 0.776 128 P CB 0.382 32.076 31.700 -0.011 0.000 0.876 129 M N -0.125 119.476 119.600 0.001 0.000 2.427 129 M HA -0.177 4.304 4.480 0.002 0.000 0.204 129 M C 0.326 176.624 176.300 -0.003 0.000 0.413 129 M CA 0.723 56.022 55.300 -0.002 0.000 0.507 129 M CB -2.375 30.200 32.600 -0.041 0.000 1.823 129 M HN 0.499 nan 8.290 nan 0.000 0.859 130 E N -0.057 120.145 120.200 0.003 0.000 2.516 130 E HA 0.198 4.549 4.350 0.002 0.000 0.199 130 E C 1.559 178.164 176.600 0.010 0.000 1.069 130 E CA 1.141 57.543 56.400 0.004 0.000 0.876 130 E CB 0.436 30.137 29.700 0.001 0.000 0.843 130 E HN 0.814 nan 8.360 nan 0.000 0.530 131 G N 0.972 109.782 108.800 0.016 0.000 3.310 131 G HA2 0.108 4.069 3.960 0.002 0.000 0.174 131 G HA3 0.108 4.069 3.960 0.002 0.000 0.174 131 G C -0.539 174.378 174.900 0.029 0.000 1.097 131 G CA 0.015 45.128 45.100 0.021 0.000 0.795 131 G HN 0.112 nan 8.290 nan 0.000 0.670 132 D N -0.065 120.355 120.400 0.034 0.000 2.673 132 D HA 0.157 4.799 4.640 0.002 0.000 0.278 132 D C 0.068 176.396 176.300 0.047 0.000 1.393 132 D CA -0.367 53.658 54.000 0.043 0.000 0.805 132 D CB 0.481 41.305 40.800 0.040 0.000 1.110 132 D HN 0.325 nan 8.370 nan 0.000 0.476 133 E N 1.215 121.444 120.200 0.048 0.000 2.376 133 E HA 0.110 4.461 4.350 0.002 0.000 0.266 133 E C -0.247 176.390 176.600 0.062 0.000 1.009 133 E CA -0.266 56.165 56.400 0.052 0.000 0.902 133 E CB 0.773 30.504 29.700 0.051 0.000 0.972 133 E HN -0.094 nan 8.360 nan 0.000 0.439 134 E N 3.762 123.996 120.200 0.057 0.000 2.324 134 E HA 0.182 4.533 4.350 0.002 0.000 0.271 134 E C -0.975 175.659 176.600 0.057 0.000 1.028 134 E CA 0.044 56.478 56.400 0.057 0.000 0.890 134 E CB 0.368 30.099 29.700 0.052 0.000 1.004 134 E HN 0.494 nan 8.360 nan 0.000 0.431 135 L N 3.857 125.108 121.223 0.046 0.000 2.341 135 L HA 0.420 4.762 4.340 0.002 0.000 0.278 135 L C 0.229 177.093 176.870 -0.010 0.000 1.005 135 L CA -0.976 53.880 54.840 0.027 0.000 0.818 135 L CB 1.817 43.892 42.059 0.026 0.000 1.259 135 L HN 0.608 nan 8.230 nan 0.000 0.418 136 T N 0.865 115.425 114.554 0.009 0.000 2.909 136 T HA 0.694 5.045 4.350 0.002 0.000 0.289 136 T C -0.204 174.501 174.700 0.009 0.000 1.005 136 T CA -0.715 61.398 62.100 0.022 0.000 1.084 136 T CB 1.318 70.205 68.868 0.031 0.000 0.975 136 T HN 0.504 nan 8.240 nan 0.000 0.509 137 M N 2.507 122.149 119.600 0.070 0.000 2.550 137 M HA 0.652 5.133 4.480 0.002 0.000 0.292 137 M C -1.660 174.781 176.300 0.235 0.000 1.221 137 M CA -1.181 54.186 55.300 0.112 0.000 0.873 137 M CB 2.361 34.982 32.600 0.035 0.000 1.727 137 M HN 0.585 nan 8.290 nan 0.000 0.459 138 L N 1.847 123.220 121.223 0.250 0.000 2.476 138 L HA 0.895 5.237 4.340 0.002 0.000 0.269 138 L C -1.256 175.840 176.870 0.376 0.000 0.965 138 L CA -0.132 54.878 54.840 0.284 0.000 0.845 138 L CB 1.819 44.002 42.059 0.206 0.000 1.259 138 L HN 0.909 nan 8.230 nan 0.000 0.403 139 A N 4.248 127.301 122.820 0.389 0.000 2.304 139 A HA 0.833 5.154 4.320 0.002 0.000 0.301 139 A C -1.015 176.795 177.584 0.377 0.000 1.132 139 A CA -0.279 51.956 52.037 0.331 0.000 0.819 139 A CB 0.496 19.670 19.000 0.291 0.000 1.094 139 A HN 0.922 nan 8.150 nan 0.000 0.492 140 F N -0.481 119.575 119.950 0.176 0.000 2.619 140 F HA 0.856 5.384 4.527 0.003 0.000 0.308 140 F C -0.400 175.392 175.800 -0.013 0.000 1.097 140 F CA -0.655 57.396 58.000 0.084 0.000 0.953 140 F CB 1.099 40.163 39.000 0.107 0.000 1.287 140 F HN 0.905 nan 8.300 nan 0.000 0.446 141 A N 3.309 126.206 122.820 0.128 0.000 2.564 141 A HA 0.941 5.263 4.320 0.002 0.000 0.288 141 A C -1.378 176.220 177.584 0.023 0.000 1.164 141 A CA -0.538 51.498 52.037 -0.003 0.000 0.712 141 A CB 1.826 20.762 19.000 -0.107 0.000 1.303 141 A HN 1.575 nan 8.150 nan 0.000 0.418 142 I N -2.984 117.581 120.570 -0.008 0.000 2.894 142 I HA 0.871 5.042 4.170 0.002 0.000 0.302 142 I C -0.564 175.519 176.117 -0.058 0.000 1.188 142 I CA -1.037 60.232 61.300 -0.053 0.000 1.014 142 I CB 2.199 40.151 38.000 -0.080 0.000 1.242 142 I HN 0.942 nan 8.210 nan 0.000 0.430 143 A N 3.404 126.167 122.820 -0.095 0.000 2.330 143 A HA 0.850 5.171 4.320 0.002 0.000 0.313 143 A C -0.193 177.276 177.584 -0.192 0.000 1.124 143 A CA -0.280 51.701 52.037 -0.093 0.000 0.774 143 A CB 1.247 20.214 19.000 -0.055 0.000 1.198 143 A HN 0.927 nan 8.150 nan 0.000 0.465 144 T N -0.401 114.027 114.554 -0.211 0.000 2.926 144 T HA 0.693 5.045 4.350 0.002 0.000 0.289 144 T C -0.668 173.927 174.700 -0.175 0.000 1.054 144 T CA -0.685 61.250 62.100 -0.274 0.000 1.015 144 T CB 1.129 69.673 68.868 -0.541 0.000 1.167 144 T HN 0.656 nan 8.240 nan 0.000 0.526 145 L N 1.990 123.136 121.223 -0.128 0.000 2.282 145 L HA 0.664 5.005 4.340 0.002 0.000 0.288 145 L C -1.327 175.575 176.870 0.053 0.000 1.033 145 L CA -0.723 54.061 54.840 -0.093 0.000 0.807 145 L CB 0.758 42.738 42.059 -0.132 0.000 1.209 145 L HN 0.796 nan 8.230 nan 0.000 0.423 146 Y N 3.705 123.896 120.300 -0.182 0.000 2.499 146 Y HA 0.610 5.161 4.550 0.002 0.000 0.347 146 Y C -1.280 174.376 175.900 -0.406 0.000 0.987 146 Y CA -0.652 57.365 58.100 -0.138 0.000 1.044 146 Y CB 1.445 39.887 38.460 -0.029 0.000 1.245 146 Y HN 0.724 nan 8.280 nan 0.000 0.461 147 H N 2.506 121.107 119.070 -0.781 0.000 2.856 147 H HA 0.241 4.799 4.556 0.002 0.000 0.355 147 H C -1.092 173.717 175.328 -0.866 0.000 1.079 147 H CA -0.996 54.699 56.048 -0.590 0.000 1.240 147 H CB 1.646 31.261 29.762 -0.246 0.000 1.701 147 H HN 0.682 nan 8.280 nan 0.000 0.527 148 E N 1.285 121.245 120.200 -0.399 0.000 2.568 148 E HA 0.030 4.381 4.350 0.002 0.000 0.262 148 E C 0.791 177.332 176.600 -0.098 0.000 0.961 148 E CA 1.474 57.773 56.400 -0.169 0.000 0.945 148 E CB 0.256 29.976 29.700 0.034 0.000 0.924 148 E HN 1.011 nan 8.360 nan 0.000 0.467 149 G N 3.433 112.230 108.800 -0.005 0.000 2.179 149 G HA2 -0.341 3.621 3.960 0.002 0.000 0.260 149 G HA3 -0.341 3.621 3.960 0.002 0.000 0.260 149 G C 0.146 175.052 174.900 0.010 0.000 0.977 149 G CA 0.429 45.543 45.100 0.022 0.000 0.641 149 G HN 0.610 nan 8.290 nan 0.000 0.533 150 E N 0.884 121.056 120.200 -0.046 0.000 2.257 150 E HA 0.374 4.725 4.350 0.002 0.000 0.278 150 E C 0.646 177.300 176.600 0.090 0.000 1.049 150 E CA -0.336 56.054 56.400 -0.018 0.000 0.876 150 E CB 0.355 29.982 29.700 -0.120 0.000 1.035 150 E HN 0.473 nan 8.360 nan 0.000 0.419 151 E N 2.934 123.176 120.200 0.070 0.000 2.438 151 E HA -0.066 4.285 4.350 0.002 0.000 0.261 151 E C -0.703 175.972 176.600 0.125 0.000 1.103 151 E CA -0.150 56.311 56.400 0.101 0.000 0.959 151 E CB 0.428 30.161 29.700 0.055 0.000 0.958 151 E HN 0.345 nan 8.360 nan 0.000 0.447 152 F N 2.840 122.798 119.950 0.013 0.000 2.572 152 F HA 0.248 4.776 4.527 0.002 0.000 0.370 152 F C 1.409 177.074 175.800 -0.226 0.000 1.103 152 F CA 1.444 59.419 58.000 -0.042 0.000 1.286 152 F CB 0.354 39.323 39.000 -0.052 0.000 1.105 152 F HN 0.596 nan 8.300 nan 0.000 0.583 153 G N 3.261 111.220 108.800 -1.402 0.000 2.168 153 G HA2 -0.370 3.591 3.960 0.002 0.000 0.263 153 G HA3 -0.370 3.591 3.960 0.002 0.000 0.263 153 G C 0.946 175.444 174.900 -0.669 0.000 0.977 153 G CA 0.683 44.833 45.100 -1.583 0.000 0.659 153 G HN 0.794 nan 8.290 nan 0.000 0.533 154 T N 0.505 114.858 114.554 -0.335 0.000 2.701 154 T HA 0.205 4.557 4.350 0.002 0.000 0.263 154 T C 1.896 176.561 174.700 -0.058 0.000 1.040 154 T CA 1.566 63.586 62.100 -0.135 0.000 1.147 154 T CB -0.351 68.487 68.868 -0.049 0.000 0.865 154 T HN 1.145 nan 8.240 nan 0.000 0.426 155 G N 2.967 111.782 108.800 0.024 0.000 2.569 155 G HA2 0.420 4.381 3.960 0.002 0.000 0.249 155 G HA3 0.420 4.381 3.960 0.002 0.000 0.249 155 G C -2.544 172.444 174.900 0.146 0.000 1.216 155 G CA -0.942 44.226 45.100 0.114 0.000 0.845 155 G HN 0.188 nan 8.290 nan 0.000 0.568 156 P HA 0.352 nan 4.420 nan 0.000 0.281 156 P C -0.339 177.024 177.300 0.104 0.000 1.264 156 P CA -0.622 62.569 63.100 0.152 0.000 0.824 156 P CB 1.528 33.367 31.700 0.232 0.000 1.092 157 I N 1.587 122.218 120.570 0.102 0.000 2.371 157 I HA 0.081 4.253 4.170 0.002 0.000 0.290 157 I C 1.809 177.957 176.117 0.052 0.000 1.028 157 I CA -0.283 61.004 61.300 -0.021 0.000 1.345 157 I CB 0.478 38.459 38.000 -0.033 0.000 1.407 157 I HN 0.206 nan 8.210 nan 0.000 0.501 158 L N 6.044 127.106 121.223 -0.268 0.000 2.162 158 L HA 0.183 4.524 4.340 0.002 0.000 0.205 158 L C 0.384 177.068 176.870 -0.310 0.000 1.086 158 L CA 0.919 55.365 54.840 -0.657 0.000 0.778 158 L CB -0.273 41.204 42.059 -0.970 0.000 0.928 158 L HN 0.579 nan 8.230 nan 0.000 0.446 159 M N -0.462 119.053 119.600 -0.143 0.000 2.465 159 M HA 0.464 4.945 4.480 0.002 0.000 0.284 159 M C -1.408 174.862 176.300 -0.051 0.000 1.212 159 M CA -0.356 54.918 55.300 -0.043 0.000 0.910 159 M CB 3.200 35.777 32.600 -0.037 0.000 1.725 159 M HN -0.197 nan 8.290 nan 0.000 0.477 160 I N 2.252 122.801 120.570 -0.035 0.000 2.411 160 I HA 0.401 4.573 4.170 0.002 0.000 0.284 160 I C -0.289 175.787 176.117 -0.069 0.000 1.012 160 I CA -0.417 60.812 61.300 -0.118 0.000 1.119 160 I CB 2.018 39.880 38.000 -0.229 0.000 1.261 160 I HN 0.850 nan 8.210 nan 0.000 0.448 161 S N 5.841 121.495 115.700 -0.077 0.000 2.608 161 S HA 0.808 5.280 4.470 0.002 0.000 0.291 161 S C -0.827 173.785 174.600 0.020 0.000 1.146 161 S CA -0.576 57.565 58.200 -0.098 0.000 1.043 161 S CB 1.744 64.867 63.200 -0.129 0.000 1.037 161 S HN 0.548 nan 8.310 nan 0.000 0.520 162 Y N -1.783 118.530 120.300 0.021 0.000 2.625 162 Y HA 0.910 5.461 4.550 0.002 0.000 0.338 162 Y C -0.812 175.111 175.900 0.038 0.000 1.123 162 Y CA -1.369 56.790 58.100 0.097 0.000 1.046 162 Y CB 0.931 39.514 38.460 0.206 0.000 1.299 162 Y HN 1.075 nan 8.280 nan 0.000 0.464 163 A N 1.514 124.486 122.820 0.254 0.000 2.612 163 A HA 0.773 5.094 4.320 0.002 0.000 0.293 163 A C -1.820 175.711 177.584 -0.089 0.000 1.075 163 A CA -0.080 51.977 52.037 0.032 0.000 0.680 163 A CB 1.718 20.667 19.000 -0.086 0.000 1.279 163 A HN 1.126 nan 8.150 nan 0.000 0.411 164 D N -0.925 119.244 120.400 -0.385 0.000 2.895 164 D HA 0.474 5.116 4.640 0.002 0.000 0.320 164 D C 0.876 176.541 176.300 -1.059 0.000 1.249 164 D CA 0.259 53.793 54.000 -0.777 0.000 0.997 164 D CB 0.225 40.903 40.800 -0.203 0.000 1.430 164 D HN 0.841 nan 8.370 nan 0.000 0.558 165 G N -1.258 107.144 108.800 -0.662 0.000 2.776 165 G HA2 0.078 4.039 3.960 0.002 0.000 0.209 165 G HA3 0.078 4.039 3.960 0.002 0.000 0.209 165 G C 0.875 175.707 174.900 -0.114 0.000 1.145 165 G CA 1.111 46.070 45.100 -0.235 0.000 0.791 165 G HN 0.529 nan 8.290 nan 0.000 0.530 166 S N -0.945 114.674 115.700 -0.134 0.000 2.665 166 S HA 0.239 4.710 4.470 0.002 0.000 0.240 166 S C 0.662 175.229 174.600 -0.056 0.000 1.081 166 S CA 0.344 58.510 58.200 -0.057 0.000 0.887 166 S CB 0.392 63.580 63.200 -0.020 0.000 0.805 166 S HN 0.573 nan 8.310 nan 0.000 0.486 167 E N -0.009 120.146 120.200 -0.075 0.000 2.460 167 E HA 0.721 5.072 4.350 0.002 0.000 0.277 167 E C -1.829 174.703 176.600 -0.113 0.000 1.010 167 E CA -1.421 54.941 56.400 -0.063 0.000 0.838 167 E CB 1.442 31.142 29.700 -0.000 0.000 1.448 167 E HN 0.400 nan 8.360 nan 0.000 0.462 168 A N 1.476 124.203 122.820 -0.155 0.000 2.611 168 A HA 0.482 4.804 4.320 0.002 0.000 0.282 168 A C -0.859 176.540 177.584 -0.308 0.000 1.114 168 A CA -0.841 51.047 52.037 -0.249 0.000 0.800 168 A CB 0.832 19.680 19.000 -0.253 0.000 1.325 168 A HN 0.480 nan 8.150 nan 0.000 0.411 169 R N 0.594 120.792 120.500 -0.504 0.000 2.875 169 R HA 0.851 5.192 4.340 0.002 0.000 0.251 169 R C -0.974 175.092 176.300 -0.389 0.000 1.123 169 R CA -0.777 55.088 56.100 -0.391 0.000 1.064 169 R CB 1.566 31.620 30.300 -0.410 0.000 1.205 169 R HN 0.368 nan 8.270 nan 0.000 0.503 170 V N 1.742 121.592 119.914 -0.106 0.000 2.638 170 V HA 0.459 4.581 4.120 0.002 0.000 0.306 170 V C -0.216 175.895 176.094 0.028 0.000 1.052 170 V CA -0.746 61.535 62.300 -0.033 0.000 0.885 170 V CB 2.155 34.029 31.823 0.084 0.000 0.999 170 V HN 0.547 nan 8.190 nan 0.000 0.424 171 I N 3.525 124.137 120.570 0.070 0.000 2.355 171 I HA 0.597 4.769 4.170 0.002 0.000 0.288 171 I C 0.057 176.257 176.117 0.138 0.000 0.999 171 I CA 0.067 61.448 61.300 0.136 0.000 1.163 171 I CB 1.857 39.979 38.000 0.203 0.000 1.316 171 I HN 0.708 nan 8.210 nan 0.000 0.454 172 T N 5.458 120.107 114.554 0.159 0.000 2.865 172 T HA 0.483 4.834 4.350 0.002 0.000 0.294 172 T C -1.097 173.785 174.700 0.303 0.000 1.119 172 T CA -0.519 61.695 62.100 0.190 0.000 1.007 172 T CB 1.439 70.366 68.868 0.099 0.000 1.225 172 T HN 0.611 nan 8.240 nan 0.000 0.515 173 W N 2.236 123.677 121.300 0.235 0.000 2.159 173 W HA 0.711 5.373 4.660 0.002 0.000 0.375 173 W C -0.599 176.044 176.519 0.206 0.000 0.794 173 W CA -0.878 56.590 57.345 0.205 0.000 2.716 173 W CB -1.022 28.555 29.460 0.195 0.000 1.583 173 W HN 0.401 nan 8.180 nan 0.000 0.702 174 K N 1.437 121.869 120.400 0.053 0.000 2.527 174 K HA 0.352 4.674 4.320 0.002 0.000 0.260 174 K C -0.904 175.639 176.600 -0.096 0.000 0.937 174 K CA -0.665 55.512 56.287 -0.184 0.000 0.826 174 K CB 2.087 34.214 32.500 -0.621 0.000 1.359 174 K HN -0.239 nan 8.250 nan 0.000 0.434 175 K N 2.493 122.823 120.400 -0.117 0.000 2.416 175 K HA 0.391 4.713 4.320 0.002 0.000 0.283 175 K C -0.779 175.766 176.600 -0.092 0.000 1.037 175 K CA 0.438 56.676 56.287 -0.081 0.000 0.995 175 K CB 0.010 32.464 32.500 -0.078 0.000 0.938 175 K HN 0.498 nan 8.250 nan 0.000 0.475 176 I N 2.663 123.186 120.570 -0.078 0.000 2.644 176 I HA 0.148 4.320 4.170 0.002 0.000 0.291 176 I C -0.911 175.137 176.117 -0.114 0.000 1.180 176 I CA -0.711 60.532 61.300 -0.094 0.000 1.040 176 I CB 2.373 40.319 38.000 -0.090 0.000 1.255 176 I HN 0.412 nan 8.210 nan 0.000 0.422 177 D N 8.050 128.381 120.400 -0.116 0.000 2.518 177 D HA 0.511 5.153 4.640 0.002 0.000 0.230 177 D C -0.695 175.503 176.300 -0.171 0.000 1.138 177 D CA 0.130 54.057 54.000 -0.121 0.000 0.964 177 D CB 1.019 41.770 40.800 -0.082 0.000 1.011 177 D HN 0.261 nan 8.370 nan 0.000 0.517 178 L N 1.756 122.812 121.223 -0.277 0.000 2.409 178 L HA 0.321 4.662 4.340 0.002 0.000 0.262 178 L C -1.640 174.996 176.870 -0.391 0.000 0.992 178 L CA -1.931 52.641 54.840 -0.447 0.000 0.817 178 L CB 2.751 44.245 42.059 -0.941 0.000 1.350 178 L HN -0.086 nan 8.230 nan 0.000 0.411 179 P HA -0.125 nan 4.420 nan 0.000 0.226 179 P C 0.686 177.978 177.300 -0.013 0.000 1.153 179 P CA 1.146 64.206 63.100 -0.068 0.000 0.777 179 P CB -0.027 31.694 31.700 0.035 0.000 0.794 180 Y N -2.619 117.658 120.300 -0.038 0.000 2.481 180 Y HA 0.328 4.879 4.550 0.002 0.000 0.258 180 Y C 0.784 176.647 175.900 -0.062 0.000 1.103 180 Y CA -0.694 57.370 58.100 -0.060 0.000 1.287 180 Y CB -1.041 37.367 38.460 -0.087 0.000 1.108 180 Y HN -0.388 nan 8.280 nan 0.000 0.529 181 V N 2.806 122.522 119.914 -0.330 0.000 2.843 181 V HA 0.058 4.179 4.120 0.002 0.000 0.305 181 V C -0.646 175.414 176.094 -0.056 0.000 1.065 181 V CA -0.083 62.118 62.300 -0.166 0.000 1.116 181 V CB 0.877 32.545 31.823 -0.259 0.000 0.968 181 V HN 0.234 nan 8.190 nan 0.000 0.487 182 D N 1.864 122.270 120.400 0.009 0.000 2.473 182 D HA 0.421 5.063 4.640 0.002 0.000 0.253 182 D C -0.709 175.632 176.300 0.070 0.000 1.233 182 D CA -0.135 53.894 54.000 0.048 0.000 0.908 182 D CB 1.882 42.738 40.800 0.094 0.000 1.170 182 D HN 0.251 nan 8.370 nan 0.000 0.558 183 V N 2.353 122.300 119.914 0.056 0.000 2.509 183 V HA 0.608 4.729 4.120 0.002 0.000 0.284 183 V C 0.801 176.960 176.094 0.108 0.000 1.047 183 V CA -0.611 61.738 62.300 0.082 0.000 0.952 183 V CB 1.236 33.085 31.823 0.045 0.000 0.988 183 V HN 0.384 nan 8.190 nan 0.000 0.469 184 V N 1.382 121.395 119.914 0.164 0.000 3.156 184 V HA 0.629 4.751 4.120 0.002 0.000 0.311 184 V C 0.971 177.180 176.094 0.190 0.000 1.208 184 V CA 0.117 62.510 62.300 0.156 0.000 1.063 184 V CB 1.297 33.213 31.823 0.154 0.000 1.098 184 V HN 0.739 nan 8.190 nan 0.000 0.452 185 S N 1.015 116.796 115.700 0.136 0.000 2.349 185 S HA -0.017 4.454 4.470 0.002 0.000 0.216 185 S C 0.957 175.650 174.600 0.155 0.000 1.033 185 S CA 1.411 59.684 58.200 0.121 0.000 1.021 185 S CB -0.907 62.327 63.200 0.058 0.000 0.968 185 S HN 1.493 nan 8.310 nan 0.000 0.426 186 T N -1.788 112.787 114.554 0.036 0.000 2.742 186 T HA 0.498 4.849 4.350 0.002 0.000 0.282 186 T C 0.644 175.021 174.700 -0.539 0.000 1.025 186 T CA -0.585 61.380 62.100 -0.227 0.000 1.020 186 T CB 1.777 70.483 68.868 -0.269 0.000 1.317 186 T HN 0.204 nan 8.240 nan 0.000 0.538 187 E N 0.380 119.843 120.200 -1.227 0.000 2.051 187 E HA -0.193 4.158 4.350 0.002 0.000 0.192 187 E C 1.972 178.358 176.600 -0.357 0.000 0.991 187 E CA 1.353 57.162 56.400 -0.985 0.000 0.799 187 E CB -0.116 29.057 29.700 -0.878 0.000 0.748 187 E HN 0.646 nan 8.360 nan 0.000 0.449 188 K N 0.586 120.802 120.400 -0.306 0.000 2.044 188 K HA -0.214 4.107 4.320 0.002 0.000 0.210 188 K C 2.095 178.648 176.600 -0.079 0.000 1.049 188 K CA 1.807 58.002 56.287 -0.153 0.000 0.927 188 K CB -0.009 32.411 32.500 -0.134 0.000 0.713 188 K HN -0.004 nan 8.250 nan 0.000 0.443 189 E N 0.381 120.536 120.200 -0.074 0.000 2.204 189 E HA -0.171 4.180 4.350 0.002 0.000 0.194 189 E C 1.780 178.409 176.600 0.048 0.000 0.989 189 E CA 1.210 57.608 56.400 -0.003 0.000 0.824 189 E CB -0.165 29.542 29.700 0.013 0.000 0.756 189 E HN 0.555 nan 8.360 nan 0.000 0.477 190 M N -0.304 119.330 119.600 0.057 0.000 2.156 190 M HA -0.103 4.379 4.480 0.002 0.000 0.264 190 M C 1.952 178.338 176.300 0.143 0.000 1.067 190 M CA 1.335 56.718 55.300 0.138 0.000 1.131 190 M CB -0.125 32.608 32.600 0.221 0.000 1.368 190 M HN 0.003 nan 8.290 nan 0.000 0.416 191 I N 0.733 121.359 120.570 0.094 0.000 2.252 191 I HA -0.277 3.895 4.170 0.002 0.000 0.245 191 I C 2.366 178.588 176.117 0.176 0.000 1.102 191 I CA 1.042 62.427 61.300 0.142 0.000 1.385 191 I CB -0.483 37.541 38.000 0.041 0.000 1.064 191 I HN 0.309 nan 8.210 nan 0.000 0.414 192 K N 0.525 120.982 120.400 0.096 0.000 2.097 192 K HA -0.198 4.124 4.320 0.002 0.000 0.206 192 K C 2.188 178.825 176.600 0.061 0.000 1.049 192 K CA 1.068 57.394 56.287 0.065 0.000 0.933 192 K CB -0.345 32.174 32.500 0.032 0.000 0.717 192 K HN 0.128 nan 8.250 nan 0.000 0.442 193 R N 1.059 121.617 120.500 0.096 0.000 2.092 193 R HA -0.113 4.228 4.340 0.002 0.000 0.231 193 R C 2.035 178.405 176.300 0.115 0.000 1.119 193 R CA 1.073 57.232 56.100 0.098 0.000 0.970 193 R CB -0.842 29.539 30.300 0.135 0.000 0.864 193 R HN 0.126 nan 8.270 nan 0.000 0.440 194 F N 0.631 120.584 119.950 0.005 0.000 2.075 194 F HA -0.078 4.450 4.527 0.003 0.000 0.297 194 F C 1.645 177.373 175.800 -0.120 0.000 1.113 194 F CA 1.524 59.493 58.000 -0.052 0.000 1.218 194 F CB -0.750 38.240 39.000 -0.017 0.000 0.984 194 F HN 0.052 nan 8.300 nan 0.000 0.472 195 L N 0.396 121.447 121.223 -0.287 0.000 2.129 195 L HA -0.224 4.117 4.340 0.002 0.000 0.212 195 L C 2.572 179.237 176.870 -0.340 0.000 1.087 195 L CA 1.910 56.493 54.840 -0.429 0.000 0.757 195 L CB -0.735 41.214 42.059 -0.182 0.000 0.896 195 L HN 0.142 nan 8.230 nan 0.000 0.434 196 R N -0.500 119.879 120.500 -0.202 0.000 2.093 196 R HA -0.060 4.281 4.340 0.002 0.000 0.224 196 R C 1.983 178.168 176.300 -0.191 0.000 1.101 196 R CA 1.521 57.530 56.100 -0.152 0.000 0.979 196 R CB -0.916 29.341 30.300 -0.071 0.000 0.877 196 R HN 0.100 nan 8.270 nan 0.000 0.441 197 V N 0.152 119.930 119.914 -0.227 0.000 2.295 197 V HA -0.199 3.923 4.120 0.002 0.000 0.246 197 V C 2.312 178.186 176.094 -0.368 0.000 1.049 197 V CA 1.793 63.918 62.300 -0.292 0.000 1.024 197 V CB -0.355 31.216 31.823 -0.419 0.000 0.648 197 V HN 0.222 nan 8.190 nan 0.000 0.447 198 V N 0.294 119.899 119.914 -0.515 0.000 2.343 198 V HA -0.279 3.843 4.120 0.002 0.000 0.247 198 V C 2.609 178.504 176.094 -0.330 0.000 1.051 198 V CA 2.473 64.478 62.300 -0.491 0.000 1.036 198 V CB -0.809 30.558 31.823 -0.760 0.000 0.654 198 V HN 0.560 nan 8.190 nan 0.000 0.451 199 R N 0.683 120.998 120.500 -0.309 0.000 2.120 199 R HA -0.220 4.122 4.340 0.002 0.000 0.234 199 R C 2.247 178.449 176.300 -0.164 0.000 1.123 199 R CA 2.061 58.027 56.100 -0.223 0.000 0.975 199 R CB -0.179 30.005 30.300 -0.193 0.000 0.866 199 R HN 0.830 nan 8.270 nan 0.000 0.446 200 E N 0.245 120.353 120.200 -0.153 0.000 2.076 200 E HA -0.133 4.219 4.350 0.002 0.000 0.190 200 E C 1.748 178.290 176.600 -0.095 0.000 0.979 200 E CA 0.610 56.947 56.400 -0.105 0.000 0.807 200 E CB -0.135 29.513 29.700 -0.087 0.000 0.761 200 E HN 0.251 nan 8.360 nan 0.000 0.454 201 K N 0.635 120.964 120.400 -0.119 0.000 2.097 201 K HA -0.128 4.193 4.320 0.002 0.000 0.205 201 K C 0.122 176.674 176.600 -0.081 0.000 1.050 201 K CA 1.011 57.245 56.287 -0.088 0.000 0.938 201 K CB -0.222 32.216 32.500 -0.103 0.000 0.718 201 K HN 0.064 nan 8.250 nan 0.000 0.442 202 D N 0.511 120.840 120.400 -0.118 0.000 2.803 202 D HA -0.099 4.543 4.640 0.002 0.000 0.233 202 D C -2.568 173.681 176.300 -0.086 0.000 1.182 202 D CA 0.048 53.974 54.000 -0.124 0.000 0.726 202 D CB -0.145 40.586 40.800 -0.114 0.000 0.987 202 D HN 0.120 nan 8.370 nan 0.000 0.412 203 P HA 0.150 nan 4.420 nan 0.000 0.275 203 P C 0.422 177.714 177.300 -0.015 0.000 1.228 203 P CA -0.252 62.840 63.100 -0.014 0.000 0.786 203 P CB 0.873 32.590 31.700 0.029 0.000 0.927 204 D N 0.421 120.829 120.400 0.012 0.000 2.224 204 D HA 0.007 4.649 4.640 0.002 0.000 0.205 204 D C 0.445 176.779 176.300 0.057 0.000 0.965 204 D CA 1.284 55.306 54.000 0.037 0.000 0.852 204 D CB 0.334 41.172 40.800 0.062 0.000 0.947 204 D HN 0.144 nan 8.370 nan 0.000 0.494 205 V N 1.386 121.328 119.914 0.048 0.000 2.656 205 V HA 0.348 4.470 4.120 0.002 0.000 0.307 205 V C -0.230 175.981 176.094 0.193 0.000 1.051 205 V CA -0.728 61.633 62.300 0.101 0.000 0.893 205 V CB 2.720 34.495 31.823 -0.080 0.000 0.999 205 V HN -0.093 nan 8.190 nan 0.000 0.426 206 L N 5.428 126.848 121.223 0.328 0.000 2.298 206 L HA 0.604 4.945 4.340 0.002 0.000 0.284 206 L C -0.735 176.440 176.870 0.508 0.000 1.013 206 L CA -0.288 54.821 54.840 0.447 0.000 0.824 206 L CB 1.567 43.959 42.059 0.554 0.000 1.221 206 L HN 0.517 nan 8.230 nan 0.000 0.418 207 I N 2.894 123.701 120.570 0.395 0.000 2.359 207 I HA 0.486 4.657 4.170 0.002 0.000 0.294 207 I C 0.432 176.616 176.117 0.111 0.000 0.987 207 I CA -0.176 61.304 61.300 0.300 0.000 1.225 207 I CB 1.805 39.967 38.000 0.269 0.000 1.366 207 I HN 0.585 nan 8.210 nan 0.000 0.466 208 T N 1.954 116.548 114.554 0.066 0.000 2.838 208 T HA 0.464 4.816 4.350 0.002 0.000 0.292 208 T C -1.226 173.478 174.700 0.006 0.000 1.113 208 T CA -0.671 61.378 62.100 -0.085 0.000 1.008 208 T CB 1.781 70.617 68.868 -0.053 0.000 1.259 208 T HN 0.407 nan 8.240 nan 0.000 0.520 209 Y N 1.927 122.163 120.300 -0.108 0.000 2.787 209 Y HA 0.486 5.037 4.550 0.002 0.000 0.352 209 Y C 0.516 176.393 175.900 -0.038 0.000 1.027 209 Y CA -0.590 57.465 58.100 -0.075 0.000 1.219 209 Y CB -0.222 38.185 38.460 -0.088 0.000 1.110 209 Y HN 1.009 nan 8.280 nan 0.000 0.614 210 N N 1.611 120.128 118.700 -0.304 0.000 3.076 210 N HA -0.145 4.596 4.740 0.002 0.000 0.234 210 N C 1.099 176.649 175.510 0.066 0.000 0.996 210 N CA 0.947 53.857 53.050 -0.233 0.000 0.944 210 N CB -1.290 36.955 38.487 -0.405 0.000 1.093 210 N HN 0.849 nan 8.380 nan 0.000 0.546 211 G N -0.444 108.475 108.800 0.199 0.000 2.535 211 G HA2 -0.210 3.751 3.960 0.002 0.000 0.218 211 G HA3 -0.210 3.751 3.960 0.002 0.000 0.218 211 G C 1.092 176.354 174.900 0.604 0.000 1.122 211 G CA 1.038 46.391 45.100 0.422 0.000 0.769 211 G HN 0.448 nan 8.290 nan 0.000 0.549 212 D N 0.039 120.697 120.400 0.429 0.000 2.269 212 D HA -0.001 4.641 4.640 0.002 0.000 0.208 212 D C 1.896 178.348 176.300 0.254 0.000 0.963 212 D CA 0.604 54.815 54.000 0.351 0.000 0.864 212 D CB 0.146 41.065 40.800 0.198 0.000 0.936 212 D HN 0.248 nan 8.370 nan 0.000 0.505 213 N N -1.623 117.192 118.700 0.193 0.000 2.168 213 N HA 0.053 4.795 4.740 0.002 0.000 0.216 213 N C 0.424 176.037 175.510 0.173 0.000 1.259 213 N CA -0.057 53.063 53.050 0.118 0.000 0.902 213 N CB 1.372 39.892 38.487 0.055 0.000 1.079 213 N HN 0.128 nan 8.380 nan 0.000 0.507 214 F N 1.466 121.476 119.950 0.101 0.000 2.009 214 F HA 0.203 4.731 4.527 0.002 0.000 0.228 214 F C 0.961 176.933 175.800 0.287 0.000 1.168 214 F CA 0.259 58.376 58.000 0.195 0.000 1.286 214 F CB -0.284 38.787 39.000 0.118 0.000 1.725 214 F HN -0.308 nan 8.300 nan 0.000 0.418 215 D N 1.181 121.792 120.400 0.351 0.000 2.303 215 D HA -0.299 4.343 4.640 0.002 0.000 0.190 215 D C 2.062 178.420 176.300 0.096 0.000 1.011 215 D CA 2.750 56.842 54.000 0.154 0.000 0.860 215 D CB -0.897 39.986 40.800 0.138 0.000 0.961 215 D HN 0.293 nan 8.370 nan 0.000 0.453 216 F N 0.730 120.823 119.950 0.239 0.000 2.134 216 F HA -0.090 4.439 4.527 0.002 0.000 0.299 216 F C 2.557 178.431 175.800 0.123 0.000 1.097 216 F CA 1.185 59.325 58.000 0.233 0.000 1.264 216 F CB -0.649 38.488 39.000 0.229 0.000 1.001 216 F HN -0.034 nan 8.300 nan 0.000 0.479 217 A N -0.999 121.989 122.820 0.280 0.000 1.908 217 A HA -0.256 4.065 4.320 0.002 0.000 0.218 217 A C 2.038 179.732 177.584 0.184 0.000 1.181 217 A CA 1.592 53.734 52.037 0.175 0.000 0.627 217 A CB -1.353 17.677 19.000 0.051 0.000 0.818 217 A HN 0.442 nan 8.150 nan 0.000 0.445 218 Y N 0.125 120.411 120.300 -0.023 0.000 2.070 218 Y HA -0.170 4.382 4.550 0.002 0.000 0.279 218 Y C 2.189 177.924 175.900 -0.275 0.000 1.134 218 Y CA 2.024 59.935 58.100 -0.314 0.000 1.113 218 Y CB -0.458 37.618 38.460 -0.639 0.000 0.981 218 Y HN 0.217 nan 8.280 nan 0.000 0.487 219 L N 0.238 121.422 121.223 -0.064 0.000 2.089 219 L HA -0.336 4.005 4.340 0.002 0.000 0.213 219 L C 2.483 179.140 176.870 -0.356 0.000 1.079 219 L CA 2.064 56.711 54.840 -0.322 0.000 0.758 219 L CB -0.596 41.078 42.059 -0.642 0.000 0.891 219 L HN 0.203 nan 8.230 nan 0.000 0.433 220 K N 0.821 121.116 120.400 -0.176 0.000 2.009 220 K HA -0.278 4.043 4.320 0.002 0.000 0.210 220 K C 2.196 178.730 176.600 -0.109 0.000 1.049 220 K CA 2.005 58.240 56.287 -0.087 0.000 0.929 220 K CB -0.100 32.424 32.500 0.039 0.000 0.714 220 K HN 0.103 nan 8.250 nan 0.000 0.440 221 K N 0.131 120.453 120.400 -0.130 0.000 1.991 221 K HA -0.187 4.134 4.320 0.002 0.000 0.212 221 K C 2.144 178.637 176.600 -0.178 0.000 1.049 221 K CA 1.569 57.757 56.287 -0.165 0.000 0.932 221 K CB -0.087 32.245 32.500 -0.280 0.000 0.717 221 K HN 0.019 nan 8.250 nan 0.000 0.441 222 R N 0.631 121.004 120.500 -0.212 0.000 2.096 222 R HA -0.148 4.194 4.340 0.002 0.000 0.240 222 R C 2.523 178.737 176.300 -0.143 0.000 1.139 222 R CA 1.551 57.554 56.100 -0.163 0.000 0.952 222 R CB -1.632 28.594 30.300 -0.123 0.000 0.854 222 R HN 0.398 nan 8.270 nan 0.000 0.436 223 C N 0.640 119.839 119.300 -0.168 0.000 2.422 223 C HA -0.059 4.402 4.460 0.002 0.000 0.279 223 C C 2.520 177.466 174.990 -0.073 0.000 1.305 223 C CA 0.496 59.438 59.018 -0.126 0.000 1.757 223 C CB -0.722 26.926 27.740 -0.153 0.000 1.962 223 C HN 0.533 nan 8.230 nan 0.000 0.499 224 E N 0.258 120.415 120.200 -0.072 0.000 2.106 224 E HA -0.173 4.179 4.350 0.002 0.000 0.192 224 E C 2.063 178.632 176.600 -0.052 0.000 0.984 224 E CA 1.111 57.483 56.400 -0.047 0.000 0.806 224 E CB 0.032 29.706 29.700 -0.043 0.000 0.750 224 E HN 0.543 nan 8.360 nan 0.000 0.458 225 E N 0.589 120.746 120.200 -0.072 0.000 2.011 225 E HA -0.044 4.308 4.350 0.002 0.000 0.191 225 E C 1.878 178.439 176.600 -0.065 0.000 0.980 225 E CA 0.664 57.023 56.400 -0.068 0.000 0.814 225 E CB -0.341 29.309 29.700 -0.083 0.000 0.775 225 E HN 0.164 nan 8.360 nan 0.000 0.454 226 L N 0.424 121.599 121.223 -0.081 0.000 2.651 226 L HA -0.002 4.340 4.340 0.002 0.000 0.236 226 L C 0.826 177.662 176.870 -0.057 0.000 1.173 226 L CA 0.563 55.355 54.840 -0.080 0.000 0.843 226 L CB -1.452 40.545 42.059 -0.104 0.000 0.964 226 L HN 0.309 nan 8.230 nan 0.000 0.454 227 G N 1.657 110.429 108.800 -0.046 0.000 2.359 227 G HA2 -0.275 3.687 3.960 0.002 0.000 0.298 227 G HA3 -0.275 3.687 3.960 0.002 0.000 0.298 227 G C -0.123 174.765 174.900 -0.019 0.000 1.030 227 G CA 0.133 45.216 45.100 -0.029 0.000 1.149 227 G HN 0.415 nan 8.290 nan 0.000 0.512 228 I N -0.795 119.767 120.570 -0.013 0.000 2.740 228 I HA 0.491 4.662 4.170 0.002 0.000 0.303 228 I C 0.207 176.351 176.117 0.045 0.000 1.044 228 I CA -1.173 60.134 61.300 0.012 0.000 1.064 228 I CB 2.113 40.122 38.000 0.015 0.000 1.249 228 I HN -0.118 nan 8.210 nan 0.000 0.433 229 K N 3.840 124.279 120.400 0.066 0.000 2.292 229 K HA 0.276 4.598 4.320 0.002 0.000 0.270 229 K C -0.946 175.752 176.600 0.163 0.000 1.062 229 K CA -0.619 55.721 56.287 0.088 0.000 0.916 229 K CB 0.668 33.195 32.500 0.044 0.000 1.166 229 K HN 0.388 nan 8.250 nan 0.000 0.458 230 F N 3.820 123.765 119.950 -0.008 0.000 2.685 230 F HA -0.008 4.520 4.527 0.003 0.000 0.349 230 F C 0.762 176.552 175.800 -0.017 0.000 1.294 230 F CA -0.157 57.838 58.000 -0.008 0.000 1.201 230 F CB -0.487 38.532 39.000 0.030 0.000 1.615 230 F HN 0.245 nan 8.300 nan 0.000 0.674 231 T N 2.292 116.778 114.554 -0.114 0.000 4.098 231 T HA 0.210 4.562 4.350 0.002 0.000 0.291 231 T C 1.580 176.092 174.700 -0.313 0.000 1.440 231 T CA -0.302 61.694 62.100 -0.174 0.000 1.164 231 T CB -0.450 68.356 68.868 -0.104 0.000 1.313 231 T HN 0.524 nan 8.240 nan 0.000 0.951 232 L N 1.111 122.063 121.223 -0.452 0.000 2.240 232 L HA 0.223 4.564 4.340 0.002 0.000 0.211 232 L C 2.060 178.760 176.870 -0.283 0.000 1.106 232 L CA 0.123 54.692 54.840 -0.451 0.000 0.793 232 L CB -0.712 41.041 42.059 -0.509 0.000 0.927 232 L HN 0.697 nan 8.230 nan 0.000 0.446 233 G N -0.412 108.256 108.800 -0.220 0.000 2.391 233 G HA2 -0.098 3.864 3.960 0.002 0.000 0.234 233 G HA3 -0.098 3.864 3.960 0.002 0.000 0.234 233 G C 0.691 175.468 174.900 -0.205 0.000 1.284 233 G CA -0.155 44.828 45.100 -0.194 0.000 0.873 233 G HN 0.205 nan 8.290 nan 0.000 0.549 234 R N 0.185 120.533 120.500 -0.253 0.000 2.328 234 R HA -0.031 4.310 4.340 0.002 0.000 0.207 234 R C 0.961 177.167 176.300 -0.156 0.000 1.056 234 R CA 1.260 57.177 56.100 -0.306 0.000 1.016 234 R CB 0.264 30.202 30.300 -0.604 0.000 0.872 234 R HN 0.694 nan 8.270 nan 0.000 0.471 235 D N -2.034 118.322 120.400 -0.073 0.000 2.559 235 D HA 0.128 4.769 4.640 0.002 0.000 0.234 235 D C 0.906 177.201 176.300 -0.009 0.000 1.226 235 D CA 0.345 54.358 54.000 0.022 0.000 0.830 235 D CB 0.376 41.242 40.800 0.110 0.000 1.028 235 D HN 0.134 nan 8.370 nan 0.000 0.492 236 G N 0.819 109.585 108.800 -0.057 0.000 2.257 236 G HA2 -0.360 3.602 3.960 0.002 0.000 0.267 236 G HA3 -0.360 3.602 3.960 0.002 0.000 0.267 236 G C 0.625 175.493 174.900 -0.053 0.000 0.984 236 G CA 0.769 45.835 45.100 -0.057 0.000 0.626 236 G HN 0.854 nan 8.290 nan 0.000 0.540 237 S N -0.129 115.542 115.700 -0.048 0.000 2.596 237 S HA 0.581 5.052 4.470 0.002 0.000 0.260 237 S C 0.234 174.798 174.600 -0.060 0.000 1.336 237 S CA 0.170 58.347 58.200 -0.039 0.000 0.993 237 S CB 1.611 64.791 63.200 -0.034 0.000 0.923 237 S HN 0.551 nan 8.310 nan 0.000 0.567 238 E N 0.700 120.885 120.200 -0.026 0.000 2.267 238 E HA 0.422 4.773 4.350 0.002 0.000 0.258 238 E C -2.525 174.075 176.600 -0.000 0.000 1.074 238 E CA -2.491 53.909 56.400 0.001 0.000 0.915 238 E CB 0.250 30.000 29.700 0.084 0.000 1.186 238 E HN 0.441 nan 8.360 nan 0.000 0.439 239 P HA -0.000 nan 4.420 nan 0.000 0.267 239 P C -1.054 176.248 177.300 0.004 0.000 1.200 239 P CA 0.300 63.409 63.100 0.016 0.000 0.772 239 P CB 0.431 32.238 31.700 0.178 0.000 0.855 240 K N 2.428 122.787 120.400 -0.069 0.000 2.221 240 K HA 0.484 4.806 4.320 0.002 0.000 0.258 240 K C -0.914 175.689 176.600 0.004 0.000 0.944 240 K CA -0.782 55.485 56.287 -0.034 0.000 0.823 240 K CB 0.579 33.029 32.500 -0.082 0.000 1.113 240 K HN 0.195 nan 8.250 nan 0.000 0.431 241 I N 3.342 123.956 120.570 0.074 0.000 2.365 241 I HA 0.209 4.380 4.170 0.002 0.000 0.291 241 I C -0.447 175.775 176.117 0.175 0.000 1.004 241 I CA -0.148 61.250 61.300 0.164 0.000 1.311 241 I CB 1.571 39.702 38.000 0.217 0.000 1.401 241 I HN 0.516 nan 8.210 nan 0.000 0.491 242 Q N 4.973 124.915 119.800 0.237 0.000 2.310 242 Q HA 0.443 4.785 4.340 0.002 0.000 0.270 242 Q C -0.775 175.329 176.000 0.173 0.000 1.025 242 Q CA -0.612 55.315 55.803 0.207 0.000 0.772 242 Q CB 1.777 30.685 28.738 0.283 0.000 1.253 242 Q HN 0.356 nan 8.270 nan 0.000 0.450 243 R N 3.720 124.225 120.500 0.009 0.000 2.265 243 R HA 0.437 4.779 4.340 0.002 0.000 0.319 243 R C -0.929 175.299 176.300 -0.121 0.000 1.006 243 R CA -0.231 55.711 56.100 -0.264 0.000 0.880 243 R CB 0.640 30.612 30.300 -0.547 0.000 1.077 243 R HN 0.751 nan 8.270 nan 0.000 0.454 244 M N 4.399 123.936 119.600 -0.104 0.000 2.065 244 M HA 0.168 4.649 4.480 0.002 0.000 0.332 244 M C 1.170 177.434 176.300 -0.060 0.000 0.988 244 M CA -0.183 55.103 55.300 -0.024 0.000 0.944 244 M CB 1.715 34.334 32.600 0.031 0.000 1.357 244 M HN 1.021 nan 8.290 nan 0.000 0.388 245 G N 2.699 111.458 108.800 -0.068 0.000 2.740 245 G HA2 -0.482 3.480 3.960 0.002 0.000 0.365 245 G HA3 -0.482 3.480 3.960 0.002 0.000 0.365 245 G C 0.640 175.497 174.900 -0.072 0.000 1.135 245 G CA 1.679 46.744 45.100 -0.057 0.000 0.948 245 G HN 0.801 nan 8.290 nan 0.000 0.629 246 D N 1.407 121.790 120.400 -0.027 0.000 2.137 246 D HA -0.020 4.621 4.640 0.002 0.000 0.189 246 D C 1.698 178.000 176.300 0.002 0.000 0.998 246 D CA 2.049 56.048 54.000 -0.002 0.000 0.839 246 D CB -0.209 40.603 40.800 0.019 0.000 0.962 246 D HN 0.851 nan 8.370 nan 0.000 0.446 247 R N -1.896 118.607 120.500 0.005 0.000 3.076 247 R HA 0.589 4.930 4.340 0.002 0.000 0.239 247 R C -0.680 175.627 176.300 0.013 0.000 1.392 247 R CA -0.987 55.169 56.100 0.093 0.000 1.044 247 R CB 0.521 30.905 30.300 0.140 0.000 1.389 247 R HN -0.010 nan 8.270 nan 0.000 0.498 248 F N -0.061 119.919 119.950 0.049 0.000 2.450 248 F HA 0.717 5.245 4.527 0.002 0.000 0.328 248 F C 0.104 175.966 175.800 0.103 0.000 1.068 248 F CA -0.715 57.334 58.000 0.081 0.000 1.007 248 F CB 1.742 40.787 39.000 0.076 0.000 1.251 248 F HN 0.515 nan 8.300 nan 0.000 0.492 249 A N 0.850 123.885 122.820 0.358 0.000 2.427 249 A HA 0.744 5.066 4.320 0.002 0.000 0.298 249 A C -1.787 176.100 177.584 0.505 0.000 1.036 249 A CA -0.646 51.601 52.037 0.350 0.000 0.701 249 A CB 1.226 20.373 19.000 0.245 0.000 1.250 249 A HN 0.472 nan 8.150 nan 0.000 0.412 250 V N 2.808 123.017 119.914 0.492 0.000 2.459 250 V HA 0.538 4.660 4.120 0.002 0.000 0.295 250 V C 0.030 176.334 176.094 0.350 0.000 1.029 250 V CA -0.420 62.031 62.300 0.252 0.000 0.874 250 V CB 1.505 33.194 31.823 -0.224 0.000 0.985 250 V HN 1.020 nan 8.190 nan 0.000 0.438 251 E N 3.642 123.820 120.200 -0.036 0.000 2.244 251 E HA 0.762 5.114 4.350 0.002 0.000 0.266 251 E C -1.717 174.726 176.600 -0.262 0.000 0.914 251 E CA -0.875 55.352 56.400 -0.288 0.000 0.794 251 E CB 2.543 31.737 29.700 -0.843 0.000 1.210 251 E HN 0.282 nan 8.360 nan 0.000 0.414 252 V N 3.125 122.913 119.914 -0.211 0.000 2.340 252 V HA 0.164 4.285 4.120 0.002 0.000 0.277 252 V C -0.163 175.787 176.094 -0.240 0.000 1.017 252 V CA -1.057 61.137 62.300 -0.177 0.000 0.820 252 V CB 1.127 32.909 31.823 -0.067 0.000 1.028 252 V HN 0.615 nan 8.190 nan 0.000 0.436 253 K N 2.951 123.179 120.400 -0.287 0.000 2.543 253 K HA 0.109 4.431 4.320 0.002 0.000 0.279 253 K C 1.409 177.714 176.600 -0.491 0.000 1.001 253 K CA 1.057 57.090 56.287 -0.423 0.000 1.088 253 K CB 0.164 32.498 32.500 -0.277 0.000 0.863 253 K HN 1.142 nan 8.250 nan 0.000 0.488 254 G N 2.463 110.756 108.800 -0.845 0.000 2.253 254 G HA2 -0.314 3.647 3.960 0.002 0.000 0.251 254 G HA3 -0.314 3.647 3.960 0.002 0.000 0.251 254 G C 0.036 174.775 174.900 -0.268 0.000 0.998 254 G CA 0.525 45.311 45.100 -0.524 0.000 0.621 254 G HN 0.657 nan 8.290 nan 0.000 0.524 255 R N -0.704 119.658 120.500 -0.229 0.000 2.905 255 R HA 0.809 5.150 4.340 0.002 0.000 0.260 255 R C -0.788 175.532 176.300 0.034 0.000 1.086 255 R CA -1.227 54.837 56.100 -0.062 0.000 0.978 255 R CB 1.255 31.526 30.300 -0.047 0.000 1.215 255 R HN 0.140 nan 8.270 nan 0.000 0.480 256 I N 1.471 122.134 120.570 0.154 0.000 2.328 256 I HA 0.171 4.342 4.170 0.002 0.000 0.287 256 I C -0.025 176.348 176.117 0.427 0.000 1.012 256 I CA -0.446 61.025 61.300 0.284 0.000 1.195 256 I CB 1.024 39.206 38.000 0.305 0.000 1.350 256 I HN 0.487 nan 8.210 nan 0.000 0.464 257 H N 7.355 126.682 119.070 0.428 0.000 2.934 257 H HA 0.119 4.676 4.556 0.002 0.000 0.273 257 H C -1.221 174.399 175.328 0.486 0.000 1.121 257 H CA -0.571 55.748 56.048 0.452 0.000 1.451 257 H CB 0.554 30.560 29.762 0.406 0.000 1.469 257 H HN 0.436 nan 8.280 nan 0.000 0.476 258 F N 6.346 126.391 119.950 0.158 0.000 2.351 258 F HA 0.125 4.654 4.527 0.002 0.000 0.362 258 F C -0.341 175.395 175.800 -0.107 0.000 1.131 258 F CA -1.196 56.819 58.000 0.024 0.000 1.187 258 F CB 0.141 39.274 39.000 0.222 0.000 1.434 258 F HN 0.552 nan 8.300 nan 0.000 0.553 259 D N 5.612 125.687 120.400 -0.542 0.000 2.339 259 D HA 0.103 4.744 4.640 0.002 0.000 0.241 259 D C 1.081 177.025 176.300 -0.592 0.000 1.183 259 D CA -0.021 53.697 54.000 -0.469 0.000 0.859 259 D CB 0.875 41.444 40.800 -0.385 0.000 1.067 259 D HN 0.635 nan 8.370 nan 0.000 0.484 260 L N 3.833 124.731 121.223 -0.542 0.000 2.456 260 L HA -0.142 4.200 4.340 0.002 0.000 0.224 260 L C 1.619 178.300 176.870 -0.315 0.000 1.148 260 L CA 0.495 55.039 54.840 -0.494 0.000 0.825 260 L CB -0.377 41.569 42.059 -0.189 0.000 0.937 260 L HN 0.530 nan 8.230 nan 0.000 0.450 261 Y N 1.642 121.625 120.300 -0.527 0.000 2.153 261 Y HA -0.106 4.445 4.550 0.002 0.000 0.289 261 Y C -0.329 175.354 175.900 -0.362 0.000 1.127 261 Y CA 1.325 59.086 58.100 -0.565 0.000 1.131 261 Y CB -1.254 36.777 38.460 -0.715 0.000 0.995 261 Y HN 0.094 nan 8.280 nan 0.000 0.505 262 P HA -0.176 nan 4.420 nan 0.000 0.215 262 P C 1.788 178.900 177.300 -0.312 0.000 1.153 262 P CA 1.993 64.919 63.100 -0.289 0.000 0.853 262 P CB -0.132 31.452 31.700 -0.193 0.000 0.788 263 V N 0.572 120.326 119.914 -0.266 0.000 2.232 263 V HA -0.242 3.879 4.120 0.002 0.000 0.237 263 V C 2.633 178.618 176.094 -0.182 0.000 1.035 263 V CA 1.818 64.028 62.300 -0.150 0.000 0.988 263 V CB -1.479 30.298 31.823 -0.077 0.000 0.636 263 V HN -0.088 nan 8.190 nan 0.000 0.456 264 I N -0.116 120.297 120.570 -0.261 0.000 2.285 264 I HA -0.296 3.876 4.170 0.002 0.000 0.253 264 I C 2.557 178.485 176.117 -0.315 0.000 1.104 264 I CA 1.679 62.835 61.300 -0.240 0.000 1.372 264 I CB -0.563 37.284 38.000 -0.256 0.000 1.057 264 I HN 0.247 nan 8.210 nan 0.000 0.431 265 R N 0.558 120.693 120.500 -0.609 0.000 2.103 265 R HA -0.165 4.177 4.340 0.002 0.000 0.242 265 R C 2.218 178.226 176.300 -0.487 0.000 1.142 265 R CA 1.757 57.320 56.100 -0.895 0.000 0.960 265 R CB -0.263 29.470 30.300 -0.945 0.000 0.858 265 R HN 0.293 nan 8.270 nan 0.000 0.439 266 R N -1.535 118.800 120.500 -0.276 0.000 2.040 266 R HA 0.044 4.386 4.340 0.002 0.000 0.219 266 R C 2.265 178.543 176.300 -0.036 0.000 1.216 266 R CA 1.645 57.667 56.100 -0.130 0.000 0.952 266 R CB -1.291 28.953 30.300 -0.094 0.000 0.833 266 R HN 0.336 nan 8.270 nan 0.000 0.456 267 T N 0.387 114.954 114.554 0.022 0.000 2.774 267 T HA -0.162 4.189 4.350 0.002 0.000 0.264 267 T C 0.576 175.354 174.700 0.130 0.000 1.037 267 T CA 1.165 63.329 62.100 0.107 0.000 1.152 267 T CB -0.137 68.879 68.868 0.245 0.000 0.842 267 T HN -0.020 nan 8.240 nan 0.000 0.483 268 I N 0.961 121.609 120.570 0.130 0.000 2.689 268 I HA 0.454 4.626 4.170 0.002 0.000 0.299 268 I C -1.085 175.159 176.117 0.211 0.000 1.059 268 I CA -1.015 60.385 61.300 0.166 0.000 1.055 268 I CB 1.956 40.084 38.000 0.213 0.000 1.243 268 I HN 0.088 nan 8.210 nan 0.000 0.425 269 N N 5.414 124.224 118.700 0.182 0.000 2.491 269 N HA 0.711 5.453 4.740 0.002 0.000 0.274 269 N C -1.066 174.478 175.510 0.057 0.000 1.023 269 N CA -0.384 52.791 53.050 0.209 0.000 0.902 269 N CB 1.900 40.454 38.487 0.111 0.000 1.267 269 N HN 0.374 nan 8.380 nan 0.000 0.503 270 L N 1.602 122.744 121.223 -0.135 0.000 2.257 270 L HA 0.705 5.046 4.340 0.002 0.000 0.257 270 L C -1.248 175.320 176.870 -0.504 0.000 1.033 270 L CA -1.621 52.998 54.840 -0.368 0.000 0.835 270 L CB 1.498 43.300 42.059 -0.428 0.000 1.398 270 L HN 0.320 nan 8.230 nan 0.000 0.429 271 P HA 0.028 nan 4.420 nan 0.000 0.226 271 P C 0.322 177.453 177.300 -0.282 0.000 1.161 271 P CA 0.731 63.676 63.100 -0.259 0.000 0.804 271 P CB 0.557 32.149 31.700 -0.180 0.000 0.829 272 T N -0.525 113.815 114.554 -0.357 0.000 2.921 272 T HA 0.400 4.752 4.350 0.002 0.000 0.297 272 T C -1.193 173.319 174.700 -0.315 0.000 1.013 272 T CA -0.286 61.674 62.100 -0.233 0.000 0.990 272 T CB 0.730 69.546 68.868 -0.087 0.000 1.023 272 T HN -0.245 nan 8.240 nan 0.000 0.447 273 Y N 2.509 122.882 120.300 0.122 0.000 2.801 273 Y HA 0.236 4.788 4.550 0.002 0.000 0.318 273 Y C 1.677 177.743 175.900 0.277 0.000 1.073 273 Y CA -0.732 57.484 58.100 0.193 0.000 1.360 273 Y CB -0.159 38.448 38.460 0.245 0.000 1.220 273 Y HN 0.594 nan 8.280 nan 0.000 0.536 274 T N -3.062 111.629 114.554 0.228 0.000 2.899 274 T HA 0.073 4.424 4.350 0.002 0.000 0.295 274 T C 1.307 176.015 174.700 0.014 0.000 1.033 274 T CA -0.608 61.585 62.100 0.155 0.000 1.084 274 T CB 1.093 69.998 68.868 0.062 0.000 0.979 274 T HN 0.256 nan 8.240 nan 0.000 0.532 275 L N 1.286 122.419 121.223 -0.149 0.000 2.081 275 L HA -0.032 4.310 4.340 0.002 0.000 0.212 275 L C 2.359 179.106 176.870 -0.204 0.000 1.080 275 L CA 1.906 56.478 54.840 -0.446 0.000 0.754 275 L CB -1.209 40.571 42.059 -0.464 0.000 0.893 275 L HN 0.845 nan 8.230 nan 0.000 0.433 276 E N -0.402 119.738 120.200 -0.100 0.000 2.047 276 E HA -0.121 4.231 4.350 0.002 0.000 0.191 276 E C 2.255 178.872 176.600 0.028 0.000 0.987 276 E CA 1.469 57.852 56.400 -0.028 0.000 0.799 276 E CB -0.546 29.143 29.700 -0.019 0.000 0.752 276 E HN 0.594 nan 8.360 nan 0.000 0.449 277 A N 0.432 123.257 122.820 0.010 0.000 1.858 277 A HA -0.178 4.144 4.320 0.002 0.000 0.216 277 A C 2.493 180.097 177.584 0.034 0.000 1.190 277 A CA 1.665 53.710 52.037 0.013 0.000 0.617 277 A CB -0.899 18.091 19.000 -0.016 0.000 0.827 277 A HN 0.143 nan 8.150 nan 0.000 0.443 278 V N -1.326 118.606 119.914 0.031 0.000 2.287 278 V HA -0.308 3.814 4.120 0.002 0.000 0.248 278 V C 2.411 178.569 176.094 0.107 0.000 1.053 278 V CA 2.270 64.598 62.300 0.048 0.000 1.027 278 V CB -1.127 30.673 31.823 -0.038 0.000 0.646 278 V HN 0.717 nan 8.190 nan 0.000 0.447 279 Y N 1.371 121.653 120.300 -0.029 0.000 2.181 279 Y HA -0.260 4.291 4.550 0.002 0.000 0.288 279 Y C 2.684 178.688 175.900 0.175 0.000 1.146 279 Y CA 2.268 60.411 58.100 0.070 0.000 1.164 279 Y CB -0.197 38.209 38.460 -0.090 0.000 0.982 279 Y HN 0.512 nan 8.280 nan 0.000 0.515 280 E N 0.541 120.827 120.200 0.143 0.000 2.028 280 E HA -0.152 4.200 4.350 0.002 0.000 0.191 280 E C 1.670 178.275 176.600 0.007 0.000 0.988 280 E CA 1.091 57.523 56.400 0.053 0.000 0.799 280 E CB -0.514 29.240 29.700 0.090 0.000 0.755 280 E HN 0.367 nan 8.360 nan 0.000 0.447 281 A N 0.512 123.349 122.820 0.027 0.000 2.223 281 A HA 0.207 4.528 4.320 0.002 0.000 0.222 281 A C 1.060 178.652 177.584 0.015 0.000 1.317 281 A CA 0.384 52.429 52.037 0.014 0.000 0.985 281 A CB -0.003 19.007 19.000 0.016 0.000 0.858 281 A HN 0.249 nan 8.150 nan 0.000 0.496 282 V N -3.239 116.667 119.914 -0.014 0.000 3.273 282 V HA 0.101 4.222 4.120 0.002 0.000 0.208 282 V C 1.024 176.923 176.094 -0.325 0.000 1.464 282 V CA 0.452 62.692 62.300 -0.101 0.000 1.270 282 V CB -0.363 31.477 31.823 0.029 0.000 1.161 282 V HN 0.463 nan 8.190 nan 0.000 0.512 283 F N 1.520 121.292 119.950 -0.296 0.000 2.721 283 F HA 0.524 5.052 4.527 0.002 0.000 0.301 283 F C 1.875 177.523 175.800 -0.253 0.000 1.096 283 F CA 0.762 58.554 58.000 -0.347 0.000 1.308 283 F CB 0.165 38.737 39.000 -0.712 0.000 1.086 283 F HN 0.288 nan 8.300 nan 0.000 0.587 284 G N 1.439 110.205 108.800 -0.058 0.000 2.258 284 G HA2 -0.336 3.625 3.960 0.002 0.000 0.274 284 G HA3 -0.336 3.625 3.960 0.002 0.000 0.274 284 G C 0.222 175.126 174.900 0.007 0.000 1.021 284 G CA 0.302 45.390 45.100 -0.021 0.000 0.798 284 G HN 0.361 nan 8.290 nan 0.000 0.507 285 K N 0.324 120.723 120.400 -0.002 0.000 2.267 285 K HA 0.644 4.966 4.320 0.002 0.000 0.246 285 K C -2.390 174.312 176.600 0.170 0.000 0.954 285 K CA -2.113 54.232 56.287 0.096 0.000 0.824 285 K CB 2.509 35.111 32.500 0.170 0.000 1.167 285 K HN 0.036 nan 8.250 nan 0.000 0.431 286 P HA 0.267 nan 4.420 nan 0.000 0.282 286 P C -1.511 175.871 177.300 0.136 0.000 1.259 286 P CA -0.633 62.546 63.100 0.130 0.000 0.826 286 P CB 0.955 32.699 31.700 0.073 0.000 1.064 287 K N 1.195 121.646 120.400 0.085 0.000 2.463 287 K HA 0.223 4.545 4.320 0.002 0.000 0.255 287 K C -0.482 176.115 176.600 -0.005 0.000 0.942 287 K CA -0.521 55.759 56.287 -0.011 0.000 0.814 287 K CB 1.613 34.063 32.500 -0.084 0.000 1.122 287 K HN 0.458 nan 8.250 nan 0.000 0.425 288 E N 3.095 123.292 120.200 -0.005 0.000 2.338 288 E HA 0.035 4.387 4.350 0.002 0.000 0.272 288 E C -0.968 175.640 176.600 0.013 0.000 1.029 288 E CA -0.168 56.231 56.400 -0.001 0.000 0.872 288 E CB 1.059 30.759 29.700 -0.001 0.000 1.015 288 E HN 0.251 nan 8.360 nan 0.000 0.417 289 K N 2.714 123.050 120.400 -0.107 0.000 2.206 289 K HA 0.310 4.631 4.320 0.002 0.000 0.264 289 K C -1.634 174.576 176.600 -0.650 0.000 0.967 289 K CA -0.678 55.418 56.287 -0.318 0.000 0.844 289 K CB 1.589 33.828 32.500 -0.435 0.000 1.099 289 K HN 0.172 nan 8.250 nan 0.000 0.441 290 V N 6.189 125.451 119.914 -1.087 0.000 2.350 290 V HA 0.354 4.475 4.120 0.002 0.000 0.285 290 V C -0.821 174.759 176.094 -0.857 0.000 1.014 290 V CA -0.829 60.948 62.300 -0.873 0.000 0.831 290 V CB 0.372 31.677 31.823 -0.863 0.000 1.000 290 V HN 0.666 nan 8.190 nan 0.000 0.433 291 Y N 2.244 122.362 120.300 -0.303 0.000 2.299 291 Y HA 0.405 4.956 4.550 0.003 0.000 0.335 291 Y C 1.714 177.510 175.900 -0.172 0.000 1.287 291 Y CA 0.348 58.321 58.100 -0.212 0.000 1.424 291 Y CB 0.594 38.968 38.460 -0.142 0.000 1.326 291 Y HN 0.654 nan 8.280 nan 0.000 0.567 292 A N 0.752 123.591 122.820 0.033 0.000 1.869 292 A HA -0.265 4.056 4.320 0.002 0.000 0.218 292 A C 2.119 179.716 177.584 0.020 0.000 1.203 292 A CA 2.192 54.234 52.037 0.008 0.000 0.638 292 A CB -0.695 18.333 19.000 0.046 0.000 0.831 292 A HN 0.909 nan 8.150 nan 0.000 0.450 293 E N -0.281 119.954 120.200 0.058 0.000 2.045 293 E HA -0.281 4.071 4.350 0.002 0.000 0.212 293 E C 1.973 178.590 176.600 0.028 0.000 1.039 293 E CA 2.083 58.508 56.400 0.041 0.000 0.860 293 E CB -0.449 29.278 29.700 0.045 0.000 0.776 293 E HN 0.825 nan 8.360 nan 0.000 0.467 294 E N 0.460 120.679 120.200 0.032 0.000 2.097 294 E HA -0.211 4.140 4.350 0.002 0.000 0.196 294 E C 2.295 178.897 176.600 0.003 0.000 1.000 294 E CA 1.223 57.631 56.400 0.015 0.000 0.804 294 E CB -0.268 29.433 29.700 0.001 0.000 0.740 294 E HN 0.320 nan 8.360 nan 0.000 0.454 295 I N 1.488 122.043 120.570 -0.026 0.000 2.163 295 I HA -0.295 3.876 4.170 0.002 0.000 0.243 295 I C 2.627 178.763 176.117 0.032 0.000 1.085 295 I CA 1.396 62.681 61.300 -0.026 0.000 1.347 295 I CB -1.223 36.732 38.000 -0.075 0.000 1.044 295 I HN 0.116 nan 8.210 nan 0.000 0.408 296 A N 1.548 124.375 122.820 0.012 0.000 1.835 296 A HA -0.267 4.054 4.320 0.002 0.000 0.215 296 A C 2.335 180.006 177.584 0.145 0.000 1.199 296 A CA 2.105 54.176 52.037 0.057 0.000 0.615 296 A CB -1.116 17.845 19.000 -0.065 0.000 0.838 296 A HN 0.662 nan 8.150 nan 0.000 0.444 297 Q N -0.634 119.228 119.800 0.102 0.000 2.234 297 Q HA -0.075 4.267 4.340 0.002 0.000 0.206 297 Q C 1.888 177.936 176.000 0.080 0.000 0.980 297 Q CA 1.812 57.670 55.803 0.093 0.000 0.869 297 Q CB -0.450 28.326 28.738 0.063 0.000 0.912 297 Q HN 0.528 nan 8.270 nan 0.000 0.436 298 A N 0.770 123.641 122.820 0.084 0.000 1.970 298 A HA -0.094 4.227 4.320 0.002 0.000 0.216 298 A C 1.748 179.390 177.584 0.097 0.000 1.170 298 A CA 0.735 52.812 52.037 0.066 0.000 0.645 298 A CB -1.120 17.912 19.000 0.053 0.000 0.816 298 A HN 0.749 nan 8.150 nan 0.000 0.447 299 W N 1.286 122.548 121.300 -0.063 0.000 2.443 299 W HA -0.019 4.642 4.660 0.002 0.000 0.296 299 W C 0.304 176.784 176.519 -0.066 0.000 1.202 299 W CA 1.374 58.662 57.345 -0.095 0.000 1.312 299 W CB 0.048 29.439 29.460 -0.114 0.000 1.120 299 W HN 0.440 nan 8.180 nan 0.000 0.536 300 E N 0.456 120.750 120.200 0.156 0.000 2.296 300 E HA -0.027 4.324 4.350 0.002 0.000 0.196 300 E C 0.958 177.556 176.600 -0.002 0.000 1.143 300 E CA 0.505 56.945 56.400 0.066 0.000 1.145 300 E CB -0.027 29.771 29.700 0.164 0.000 1.215 300 E HN 0.155 nan 8.360 nan 0.000 0.447 301 S N -2.033 113.634 115.700 -0.055 0.000 2.506 301 S HA 0.139 4.611 4.470 0.002 0.000 0.255 301 S C 1.456 176.003 174.600 -0.090 0.000 0.976 301 S CA 0.245 58.414 58.200 -0.052 0.000 1.493 301 S CB 0.151 63.343 63.200 -0.014 0.000 1.241 301 S HN 0.352 nan 8.310 nan 0.000 0.655 302 G N 1.450 110.162 108.800 -0.147 0.000 2.200 302 G HA2 -0.271 3.691 3.960 0.002 0.000 0.267 302 G HA3 -0.271 3.691 3.960 0.002 0.000 0.267 302 G C -0.222 174.618 174.900 -0.100 0.000 0.993 302 G CA 0.894 45.892 45.100 -0.170 0.000 0.701 302 G HN 0.670 nan 8.290 nan 0.000 0.524 303 E N -0.146 120.016 120.200 -0.063 0.000 2.113 303 E HA 0.482 4.833 4.350 0.002 0.000 0.273 303 E C 0.870 177.456 176.600 -0.023 0.000 0.924 303 E CA -0.119 56.257 56.400 -0.039 0.000 0.764 303 E CB 0.919 30.602 29.700 -0.028 0.000 1.104 303 E HN 1.164 nan 8.360 nan 0.000 0.406 304 G N 3.412 112.198 108.800 -0.024 0.000 2.204 304 G HA2 -0.252 3.710 3.960 0.002 0.000 0.244 304 G HA3 -0.252 3.710 3.960 0.002 0.000 0.244 304 G C 0.511 175.408 174.900 -0.004 0.000 1.062 304 G CA -0.100 44.993 45.100 -0.013 0.000 0.798 304 G HN 0.593 nan 8.290 nan 0.000 0.496 305 L N -0.965 120.253 121.223 -0.009 0.000 2.509 305 L HA 0.193 4.535 4.340 0.002 0.000 0.222 305 L C 2.445 179.322 176.870 0.010 0.000 1.123 305 L CA 0.851 55.698 54.840 0.013 0.000 0.856 305 L CB -0.021 42.040 42.059 0.004 0.000 0.985 305 L HN 0.297 nan 8.230 nan 0.000 0.456 306 E N 0.123 120.320 120.200 -0.005 0.000 2.150 306 E HA -0.148 4.203 4.350 0.002 0.000 0.193 306 E C 2.289 178.910 176.600 0.036 0.000 0.985 306 E CA 0.903 57.303 56.400 -0.001 0.000 0.814 306 E CB 0.125 29.819 29.700 -0.012 0.000 0.752 306 E HN 0.263 nan 8.360 nan 0.000 0.466 307 R N -0.186 120.330 120.500 0.025 0.000 2.062 307 R HA -0.044 4.298 4.340 0.002 0.000 0.229 307 R C 2.299 178.627 176.300 0.046 0.000 1.128 307 R CA 1.146 57.263 56.100 0.029 0.000 0.960 307 R CB -0.355 29.944 30.300 -0.002 0.000 0.855 307 R HN 0.112 nan 8.270 nan 0.000 0.432 308 V N 1.223 121.156 119.914 0.031 0.000 2.332 308 V HA -0.246 3.875 4.120 0.002 0.000 0.248 308 V C 2.486 178.652 176.094 0.120 0.000 1.055 308 V CA 1.983 64.313 62.300 0.051 0.000 1.038 308 V CB -0.796 31.045 31.823 0.030 0.000 0.651 308 V HN 0.383 nan 8.190 nan 0.000 0.450 309 A N -0.545 122.335 122.820 0.101 0.000 1.972 309 A HA -0.225 4.096 4.320 0.002 0.000 0.219 309 A C 2.433 180.146 177.584 0.215 0.000 1.169 309 A CA 1.800 53.918 52.037 0.135 0.000 0.635 309 A CB -0.520 18.531 19.000 0.085 0.000 0.810 309 A HN 0.462 nan 8.150 nan 0.000 0.446 310 R N -2.054 118.558 120.500 0.186 0.000 2.062 310 R HA -0.136 4.205 4.340 0.002 0.000 0.229 310 R C 2.114 178.438 176.300 0.041 0.000 1.128 310 R CA 1.713 57.894 56.100 0.135 0.000 0.960 310 R CB -0.454 29.910 30.300 0.107 0.000 0.855 310 R HN 0.678 nan 8.270 nan 0.000 0.432 311 Y N 0.595 120.853 120.300 -0.069 0.000 2.224 311 Y HA -0.224 4.327 4.550 0.003 0.000 0.289 311 Y C 2.553 178.376 175.900 -0.129 0.000 1.146 311 Y CA 1.983 60.012 58.100 -0.119 0.000 1.182 311 Y CB -0.381 38.007 38.460 -0.120 0.000 0.983 311 Y HN 0.024 nan 8.280 nan 0.000 0.524 312 S N -0.215 115.461 115.700 -0.039 0.000 2.383 312 S HA -0.204 4.267 4.470 0.002 0.000 0.227 312 S C 2.175 176.657 174.600 -0.196 0.000 1.026 312 S CA 1.255 59.366 58.200 -0.148 0.000 0.981 312 S CB -0.493 62.696 63.200 -0.019 0.000 0.818 312 S HN 0.666 nan 8.310 nan 0.000 0.472 313 M N 0.692 120.198 119.600 -0.157 0.000 2.117 313 M HA -0.095 4.387 4.480 0.002 0.000 0.262 313 M C 1.988 178.103 176.300 -0.309 0.000 1.065 313 M CA 1.810 56.952 55.300 -0.263 0.000 1.114 313 M CB -0.399 31.931 32.600 -0.450 0.000 1.361 313 M HN 0.402 nan 8.290 nan 0.000 0.408 314 E N 0.196 120.208 120.200 -0.313 0.000 2.072 314 E HA -0.208 4.144 4.350 0.002 0.000 0.191 314 E C 1.546 177.903 176.600 -0.404 0.000 0.985 314 E CA 1.488 57.676 56.400 -0.353 0.000 0.801 314 E CB 0.009 29.514 29.700 -0.326 0.000 0.750 314 E HN 0.457 nan 8.360 nan 0.000 0.452 315 D N 0.116 120.238 120.400 -0.464 0.000 2.116 315 D HA -0.194 4.447 4.640 0.002 0.000 0.193 315 D C 1.799 177.928 176.300 -0.285 0.000 0.998 315 D CA 1.568 55.300 54.000 -0.445 0.000 0.836 315 D CB -0.282 40.213 40.800 -0.509 0.000 0.951 315 D HN 0.214 nan 8.370 nan 0.000 0.449 316 A N 0.511 123.198 122.820 -0.221 0.000 1.898 316 A HA -0.189 4.132 4.320 0.002 0.000 0.216 316 A C 2.050 179.582 177.584 -0.087 0.000 1.181 316 A CA 1.757 53.728 52.037 -0.110 0.000 0.620 316 A CB -0.468 18.482 19.000 -0.083 0.000 0.819 316 A HN 0.170 nan 8.150 nan 0.000 0.442 317 K N -0.231 120.070 120.400 -0.164 0.000 2.002 317 K HA -0.112 4.209 4.320 0.002 0.000 0.209 317 K C 1.812 178.336 176.600 -0.127 0.000 1.048 317 K CA 1.788 57.992 56.287 -0.139 0.000 0.930 317 K CB -0.385 31.986 32.500 -0.215 0.000 0.714 317 K HN 0.178 nan 8.250 nan 0.000 0.438 318 V N 1.248 120.985 119.914 -0.294 0.000 2.469 318 V HA -0.232 3.889 4.120 0.002 0.000 0.251 318 V C 2.111 178.099 176.094 -0.178 0.000 1.064 318 V CA 2.231 64.288 62.300 -0.405 0.000 1.066 318 V CB -0.467 30.934 31.823 -0.703 0.000 0.667 318 V HN 0.528 nan 8.190 nan 0.000 0.461 319 T N -1.431 113.057 114.554 -0.110 0.000 2.857 319 T HA -0.161 4.190 4.350 0.002 0.000 0.266 319 T C 1.700 176.452 174.700 0.088 0.000 1.048 319 T CA 1.546 63.634 62.100 -0.020 0.000 1.139 319 T CB -0.289 68.570 68.868 -0.015 0.000 0.874 319 T HN 0.611 nan 8.240 nan 0.000 0.455 320 Y N 2.406 122.708 120.300 0.003 0.000 2.224 320 Y HA -0.125 4.427 4.550 0.002 0.000 0.289 320 Y C 2.227 178.186 175.900 0.098 0.000 1.146 320 Y CA 1.287 59.424 58.100 0.062 0.000 1.182 320 Y CB -0.174 38.312 38.460 0.044 0.000 0.983 320 Y HN 0.309 nan 8.280 nan 0.000 0.524 321 E N 0.258 120.513 120.200 0.091 0.000 2.028 321 E HA -0.208 4.144 4.350 0.002 0.000 0.191 321 E C 2.234 178.972 176.600 0.231 0.000 0.988 321 E CA 1.589 58.029 56.400 0.067 0.000 0.799 321 E CB -0.543 29.083 29.700 -0.123 0.000 0.755 321 E HN 0.479 nan 8.360 nan 0.000 0.447 322 L N 0.972 122.335 121.223 0.234 0.000 2.083 322 L HA -0.118 4.223 4.340 0.002 0.000 0.209 322 L C 2.633 179.717 176.870 0.356 0.000 1.083 322 L CA 1.310 56.372 54.840 0.370 0.000 0.752 322 L CB -0.686 41.450 42.059 0.128 0.000 0.899 322 L HN 0.251 nan 8.230 nan 0.000 0.433 323 G N -0.937 107.995 108.800 0.220 0.000 2.422 323 G HA2 -0.197 3.765 3.960 0.002 0.000 0.218 323 G HA3 -0.197 3.765 3.960 0.002 0.000 0.218 323 G C 1.764 176.839 174.900 0.292 0.000 1.140 323 G CA 0.074 45.390 45.100 0.360 0.000 0.775 323 G HN 0.114 nan 8.290 nan 0.000 0.545 324 R N 0.207 120.720 120.500 0.021 0.000 2.189 324 R HA 0.026 4.368 4.340 0.002 0.000 0.218 324 R C 2.268 178.655 176.300 0.145 0.000 1.074 324 R CA 1.181 57.251 56.100 -0.050 0.000 0.991 324 R CB -0.012 30.129 30.300 -0.266 0.000 0.883 324 R HN 0.539 nan 8.270 nan 0.000 0.457 325 E N -0.414 119.963 120.200 0.294 0.000 2.030 325 E HA -0.064 4.287 4.350 0.002 0.000 0.189 325 E C 1.037 177.752 176.600 0.191 0.000 0.974 325 E CA 1.096 57.657 56.400 0.269 0.000 0.807 325 E CB -0.182 29.765 29.700 0.411 0.000 0.771 325 E HN 0.112 nan 8.360 nan 0.000 0.451 326 F N -0.208 119.861 119.950 0.198 0.000 2.811 326 F HA 0.158 4.687 4.527 0.002 0.000 0.301 326 F C 1.483 177.394 175.800 0.186 0.000 1.151 326 F CA 0.075 58.198 58.000 0.206 0.000 1.412 326 F CB -0.289 38.878 39.000 0.278 0.000 1.113 326 F HN 0.104 nan 8.300 nan 0.000 0.579 327 F N 2.651 122.664 119.950 0.105 0.000 2.219 327 F HA 0.067 4.595 4.527 0.003 0.000 0.294 327 F C -0.473 175.129 175.800 -0.330 0.000 1.086 327 F CA 0.345 58.177 58.000 -0.280 0.000 1.330 327 F CB -1.373 37.432 39.000 -0.326 0.000 1.047 327 F HN -0.193 nan 8.300 nan 0.000 0.495 328 P HA -0.215 nan 4.420 nan 0.000 0.218 328 P C 1.758 178.567 177.300 -0.818 0.000 1.148 328 P CA 1.427 64.196 63.100 -0.551 0.000 0.822 328 P CB -0.157 31.126 31.700 -0.696 0.000 0.784 329 M N 0.623 119.798 119.600 -0.708 0.000 2.064 329 M HA -0.103 4.379 4.480 0.002 0.000 0.260 329 M C 2.019 178.132 176.300 -0.313 0.000 1.073 329 M CA 1.795 56.839 55.300 -0.427 0.000 1.124 329 M CB -1.687 30.793 32.600 -0.200 0.000 1.326 329 M HN -0.266 nan 8.290 nan 0.000 0.410 330 E N -0.173 119.839 120.200 -0.313 0.000 2.171 330 E HA -0.134 4.217 4.350 0.002 0.000 0.197 330 E C 1.857 178.202 176.600 -0.424 0.000 0.997 330 E CA 1.625 57.837 56.400 -0.313 0.000 0.810 330 E CB -0.409 29.099 29.700 -0.318 0.000 0.738 330 E HN 0.569 nan 8.360 nan 0.000 0.467 331 A N 0.023 122.474 122.820 -0.615 0.000 1.930 331 A HA -0.175 4.146 4.320 0.002 0.000 0.217 331 A C 1.993 179.421 177.584 -0.260 0.000 1.175 331 A CA 1.150 52.882 52.037 -0.509 0.000 0.627 331 A CB -0.279 18.377 19.000 -0.573 0.000 0.815 331 A HN 0.113 nan 8.150 nan 0.000 0.443 332 Q N -0.802 118.866 119.800 -0.221 0.000 2.083 332 Q HA -0.070 4.272 4.340 0.002 0.000 0.198 332 Q C 2.060 178.012 176.000 -0.079 0.000 0.969 332 Q CA 0.837 56.577 55.803 -0.105 0.000 0.838 332 Q CB -0.726 27.984 28.738 -0.047 0.000 0.900 332 Q HN 0.503 nan 8.270 nan 0.000 0.436 333 L N 0.895 122.059 121.223 -0.099 0.000 1.970 333 L HA -0.182 4.159 4.340 0.002 0.000 0.212 333 L C 2.411 179.249 176.870 -0.054 0.000 1.071 333 L CA 2.353 57.152 54.840 -0.069 0.000 0.751 333 L CB -1.489 40.524 42.059 -0.076 0.000 0.889 333 L HN 0.291 nan 8.230 nan 0.000 0.432 334 S N -0.787 114.861 115.700 -0.087 0.000 2.402 334 S HA -0.285 4.187 4.470 0.002 0.000 0.233 334 S C 2.300 176.876 174.600 -0.039 0.000 1.030 334 S CA 1.608 59.767 58.200 -0.067 0.000 1.003 334 S CB -0.404 62.733 63.200 -0.104 0.000 0.813 334 S HN 0.518 nan 8.310 nan 0.000 0.477 335 R N -0.288 120.186 120.500 -0.043 0.000 2.073 335 R HA -0.000 4.341 4.340 0.002 0.000 0.229 335 R C 2.388 178.704 176.300 0.027 0.000 1.120 335 R CA 1.414 57.506 56.100 -0.014 0.000 0.967 335 R CB -0.457 29.830 30.300 -0.021 0.000 0.862 335 R HN 0.501 nan 8.270 nan 0.000 0.436 336 L N 1.084 122.328 121.223 0.034 0.000 2.017 336 L HA -0.132 4.209 4.340 0.002 0.000 0.208 336 L C 1.986 178.973 176.870 0.195 0.000 1.073 336 L CA 1.655 56.550 54.840 0.091 0.000 0.745 336 L CB -0.364 41.710 42.059 0.025 0.000 0.894 336 L HN 0.178 nan 8.230 nan 0.000 0.432 337 I N 0.260 120.914 120.570 0.142 0.000 2.493 337 I HA -0.007 4.165 4.170 0.002 0.000 0.254 337 I C 1.806 178.014 176.117 0.151 0.000 1.160 337 I CA 1.249 62.677 61.300 0.215 0.000 1.445 337 I CB -1.901 36.179 38.000 0.133 0.000 1.086 337 I HN 0.554 nan 8.210 nan 0.000 0.433 338 G N 1.208 110.045 108.800 0.061 0.000 2.149 338 G HA2 -0.193 3.769 3.960 0.002 0.000 0.235 338 G HA3 -0.193 3.769 3.960 0.002 0.000 0.235 338 G C 0.127 174.985 174.900 -0.069 0.000 1.018 338 G CA -0.037 45.066 45.100 0.004 0.000 0.728 338 G HN 0.385 nan 8.290 nan 0.000 0.508 339 Q N -0.208 119.532 119.800 -0.101 0.000 2.451 339 Q HA 0.635 4.977 4.340 0.002 0.000 0.281 339 Q C 0.550 176.486 176.000 -0.107 0.000 1.099 339 Q CA -0.034 55.650 55.803 -0.199 0.000 0.806 339 Q CB 1.664 30.145 28.738 -0.428 0.000 1.419 339 Q HN 0.866 nan 8.270 nan 0.000 0.427 340 S N 0.484 116.139 115.700 -0.075 0.000 2.573 340 S HA -0.072 4.399 4.470 0.002 0.000 0.297 340 S C 1.142 175.767 174.600 0.042 0.000 1.280 340 S CA -0.296 57.918 58.200 0.023 0.000 1.061 340 S CB 0.277 63.536 63.200 0.098 0.000 0.812 340 S HN 0.637 nan 8.310 nan 0.000 0.500 341 L N 3.373 124.618 121.223 0.038 0.000 2.265 341 L HA 0.109 4.450 4.340 0.002 0.000 0.215 341 L C 1.705 178.623 176.870 0.080 0.000 1.117 341 L CA 1.361 56.194 54.840 -0.012 0.000 0.782 341 L CB -1.422 40.563 42.059 -0.122 0.000 0.914 341 L HN 0.915 nan 8.230 nan 0.000 0.441 342 W N 0.769 122.080 121.300 0.018 0.000 2.381 342 W HA -0.156 4.505 4.660 0.002 0.000 0.301 342 W C 2.181 178.723 176.519 0.038 0.000 1.205 342 W CA 1.893 59.269 57.345 0.052 0.000 1.285 342 W CB 0.002 29.491 29.460 0.048 0.000 1.133 342 W HN 0.218 nan 8.180 nan 0.000 0.521 343 D N -0.305 120.253 120.400 0.264 0.000 2.085 343 D HA -0.182 4.460 4.640 0.002 0.000 0.199 343 D C 2.307 178.610 176.300 0.004 0.000 0.981 343 D CA 2.061 56.142 54.000 0.135 0.000 0.834 343 D CB -0.673 40.205 40.800 0.129 0.000 0.992 343 D HN 0.040 nan 8.370 nan 0.000 0.457 344 V N 1.951 121.867 119.914 0.002 0.000 2.250 344 V HA -0.295 3.827 4.120 0.002 0.000 0.250 344 V C 2.679 178.759 176.094 -0.024 0.000 1.060 344 V CA 2.326 64.624 62.300 -0.004 0.000 1.030 344 V CB -0.831 30.975 31.823 -0.028 0.000 0.643 344 V HN 0.272 nan 8.190 nan 0.000 0.445 345 S N -0.146 115.532 115.700 -0.038 0.000 2.469 345 S HA -0.174 4.297 4.470 0.002 0.000 0.238 345 S C 1.856 176.400 174.600 -0.093 0.000 0.998 345 S CA 1.346 59.539 58.200 -0.011 0.000 0.957 345 S CB -0.384 62.888 63.200 0.120 0.000 0.764 345 S HN 0.642 nan 8.310 nan 0.000 0.514 346 R N 0.528 120.931 120.500 -0.162 0.000 2.397 346 R HA 0.344 4.685 4.340 0.002 0.000 0.241 346 R C 0.572 176.815 176.300 -0.096 0.000 0.914 346 R CA 0.079 56.059 56.100 -0.200 0.000 1.071 346 R CB 0.445 30.514 30.300 -0.386 0.000 1.116 346 R HN 0.353 nan 8.270 nan 0.000 0.524 347 S N 0.333 116.012 115.700 -0.034 0.000 2.632 347 S HA 0.270 4.741 4.470 0.002 0.000 0.271 347 S C 0.206 174.800 174.600 -0.011 0.000 1.260 347 S CA -0.711 57.504 58.200 0.024 0.000 1.010 347 S CB 1.092 64.361 63.200 0.114 0.000 0.965 347 S HN 0.269 nan 8.310 nan 0.000 0.534 348 S N 1.673 117.362 115.700 -0.018 0.000 2.652 348 S HA 0.265 4.736 4.470 0.002 0.000 0.270 348 S C 1.570 176.121 174.600 -0.082 0.000 1.243 348 S CA 0.076 58.233 58.200 -0.071 0.000 0.999 348 S CB 0.722 63.851 63.200 -0.118 0.000 0.973 348 S HN 0.923 nan 8.310 nan 0.000 0.544 349 T N -0.894 113.595 114.554 -0.109 0.000 2.759 349 T HA -0.035 4.316 4.350 0.002 0.000 0.269 349 T C 2.021 176.634 174.700 -0.146 0.000 1.042 349 T CA 1.371 63.403 62.100 -0.113 0.000 1.140 349 T CB -1.523 67.284 68.868 -0.102 0.000 0.864 349 T HN 0.890 nan 8.240 nan 0.000 0.455 350 G N 1.460 110.122 108.800 -0.229 0.000 2.442 350 G HA2 -0.245 3.716 3.960 0.002 0.000 0.219 350 G HA3 -0.245 3.716 3.960 0.002 0.000 0.219 350 G C 1.570 176.470 174.900 0.000 0.000 1.141 350 G CA 0.956 45.916 45.100 -0.233 0.000 0.763 350 G HN 0.634 nan 8.290 nan 0.000 0.554 351 N N -0.419 118.264 118.700 -0.028 0.000 2.376 351 N HA 0.150 4.891 4.740 0.002 0.000 0.177 351 N C 2.155 177.723 175.510 0.096 0.000 1.024 351 N CA 0.040 53.124 53.050 0.058 0.000 0.893 351 N CB -0.023 38.522 38.487 0.095 0.000 0.980 351 N HN 0.221 nan 8.380 nan 0.000 0.439 352 L N 0.071 121.330 121.223 0.061 0.000 2.046 352 L HA -0.134 4.207 4.340 0.002 0.000 0.208 352 L C 1.960 178.832 176.870 0.003 0.000 1.077 352 L CA 0.887 55.779 54.840 0.086 0.000 0.747 352 L CB -0.545 41.507 42.059 -0.011 0.000 0.896 352 L HN 0.090 nan 8.230 nan 0.000 0.432 353 V N 0.039 119.820 119.914 -0.221 0.000 2.261 353 V HA -0.306 3.816 4.120 0.002 0.000 0.246 353 V C 2.447 178.331 176.094 -0.351 0.000 1.047 353 V CA 2.072 64.056 62.300 -0.526 0.000 1.015 353 V CB -0.496 30.699 31.823 -1.047 0.000 0.642 353 V HN 0.447 nan 8.190 nan 0.000 0.446 354 E N -1.015 119.039 120.200 -0.244 0.000 2.130 354 E HA -0.276 4.076 4.350 0.002 0.000 0.196 354 E C 1.985 178.605 176.600 0.034 0.000 0.998 354 E CA 2.054 58.438 56.400 -0.027 0.000 0.806 354 E CB -0.234 29.529 29.700 0.106 0.000 0.738 354 E HN 0.720 nan 8.360 nan 0.000 0.459 355 W N -0.972 120.392 121.300 0.108 0.000 2.453 355 W HA -0.037 4.625 4.660 0.003 0.000 0.289 355 W C 1.930 178.513 176.519 0.107 0.000 1.215 355 W CA 0.130 57.548 57.345 0.122 0.000 1.297 355 W CB -0.199 29.324 29.460 0.105 0.000 1.113 355 W HN 0.125 nan 8.180 nan 0.000 0.551 356 F N 0.703 120.748 119.950 0.159 0.000 2.084 356 F HA -0.199 4.330 4.527 0.002 0.000 0.296 356 F C 2.074 177.882 175.800 0.012 0.000 1.111 356 F CA 1.794 59.824 58.000 0.050 0.000 1.224 356 F CB -0.750 38.218 39.000 -0.054 0.000 0.991 356 F HN -0.285 nan 8.300 nan 0.000 0.471 357 L N -0.217 121.017 121.223 0.019 0.000 2.042 357 L HA -0.268 4.074 4.340 0.002 0.000 0.210 357 L C 2.563 179.440 176.870 0.012 0.000 1.076 357 L CA 1.354 56.084 54.840 -0.184 0.000 0.749 357 L CB -0.915 40.846 42.059 -0.496 0.000 0.893 357 L HN 0.251 nan 8.230 nan 0.000 0.432 358 L N -0.378 120.972 121.223 0.210 0.000 2.012 358 L HA -0.263 4.079 4.340 0.002 0.000 0.210 358 L C 2.898 179.956 176.870 0.313 0.000 1.073 358 L CA 1.444 56.512 54.840 0.380 0.000 0.748 358 L CB -0.433 41.864 42.059 0.397 0.000 0.891 358 L HN 0.274 nan 8.230 nan 0.000 0.431 359 R N -0.064 120.556 120.500 0.200 0.000 2.073 359 R HA -0.177 4.165 4.340 0.002 0.000 0.234 359 R C 2.339 178.696 176.300 0.095 0.000 1.134 359 R CA 1.286 57.460 56.100 0.123 0.000 0.952 359 R CB 0.018 30.320 30.300 0.003 0.000 0.850 359 R HN 0.085 nan 8.270 nan 0.000 0.433 360 K N 0.573 120.933 120.400 -0.068 0.000 2.026 360 K HA -0.042 4.280 4.320 0.002 0.000 0.208 360 K C 2.050 178.790 176.600 0.233 0.000 1.048 360 K CA 1.487 57.743 56.287 -0.051 0.000 0.929 360 K CB -0.650 31.661 32.500 -0.316 0.000 0.713 360 K HN 0.328 nan 8.250 nan 0.000 0.439 361 A N 0.379 123.430 122.820 0.385 0.000 1.948 361 A HA -0.229 4.093 4.320 0.002 0.000 0.220 361 A C 2.204 179.928 177.584 0.235 0.000 1.177 361 A CA 1.605 53.845 52.037 0.339 0.000 0.636 361 A CB -0.760 18.483 19.000 0.405 0.000 0.815 361 A HN 0.397 nan 8.150 nan 0.000 0.449 362 Y N 0.166 120.572 120.300 0.178 0.000 2.200 362 Y HA -0.121 4.431 4.550 0.002 0.000 0.290 362 Y C 2.303 178.265 175.900 0.104 0.000 1.137 362 Y CA 2.162 60.355 58.100 0.155 0.000 1.163 362 Y CB -0.209 38.352 38.460 0.168 0.000 0.988 362 Y HN 0.247 nan 8.280 nan 0.000 0.518 363 K N 0.027 120.498 120.400 0.118 0.000 2.209 363 K HA -0.115 4.207 4.320 0.002 0.000 0.204 363 K C 1.166 177.750 176.600 -0.026 0.000 1.048 363 K CA 1.172 57.475 56.287 0.028 0.000 0.940 363 K CB -0.007 32.535 32.500 0.070 0.000 0.729 363 K HN 0.251 nan 8.250 nan 0.000 0.451 364 R N 0.422 120.935 120.500 0.022 0.000 2.609 364 R HA 0.081 4.422 4.340 0.002 0.000 0.326 364 R C -0.063 176.212 176.300 -0.042 0.000 1.090 364 R CA -0.118 55.996 56.100 0.024 0.000 1.072 364 R CB 0.111 30.494 30.300 0.138 0.000 1.330 364 R HN 0.131 nan 8.270 nan 0.000 0.572 365 N N 1.939 120.568 118.700 -0.117 0.000 2.710 365 N HA -0.205 4.537 4.740 0.002 0.000 0.249 365 N C -1.125 174.320 175.510 -0.107 0.000 1.059 365 N CA 0.759 53.722 53.050 -0.144 0.000 0.720 365 N CB -0.412 37.997 38.487 -0.131 0.000 0.983 365 N HN 0.254 nan 8.380 nan 0.000 0.544 366 E N 0.688 120.842 120.200 -0.077 0.000 2.046 366 E HA 0.143 4.494 4.350 0.002 0.000 0.279 366 E C 0.157 176.748 176.600 -0.016 0.000 0.989 366 E CA -0.851 55.490 56.400 -0.099 0.000 0.798 366 E CB 0.657 30.192 29.700 -0.275 0.000 1.086 366 E HN 0.391 nan 8.360 nan 0.000 0.399 367 L N 2.629 123.824 121.223 -0.047 0.000 2.525 367 L HA 0.123 4.465 4.340 0.002 0.000 0.278 367 L C -0.205 176.728 176.870 0.104 0.000 1.218 367 L CA 0.222 55.032 54.840 -0.051 0.000 0.878 367 L CB 0.530 42.458 42.059 -0.218 0.000 1.127 367 L HN 0.468 nan 8.230 nan 0.000 0.492 368 A N 6.333 129.239 122.820 0.142 0.000 2.310 368 A HA 0.751 5.072 4.320 0.002 0.000 0.299 368 A C -2.452 175.140 177.584 0.015 0.000 1.147 368 A CA -1.479 50.588 52.037 0.051 0.000 0.818 368 A CB -0.109 18.985 19.000 0.156 0.000 1.096 368 A HN 0.695 nan 8.150 nan 0.000 0.495 369 P HA 0.193 nan 4.420 nan 0.000 0.277 369 P C -0.594 176.664 177.300 -0.069 0.000 1.240 369 P CA -0.559 62.534 63.100 -0.012 0.000 0.798 369 P CB 0.576 32.071 31.700 -0.342 0.000 0.979 370 N N 1.635 120.381 118.700 0.076 0.000 2.467 370 N HA 0.129 4.870 4.740 0.002 0.000 0.262 370 N C 0.270 175.742 175.510 -0.063 0.000 1.234 370 N CA -0.241 52.796 53.050 -0.022 0.000 0.952 370 N CB 0.448 38.964 38.487 0.048 0.000 1.158 370 N HN 0.277 nan 8.380 nan 0.000 0.463 371 K N 1.303 121.648 120.400 -0.091 0.000 2.230 371 K HA 0.213 4.535 4.320 0.002 0.000 0.253 371 K C -2.099 174.455 176.600 -0.078 0.000 1.008 371 K CA -1.099 55.130 56.287 -0.097 0.000 0.910 371 K CB -0.293 32.150 32.500 -0.095 0.000 0.994 371 K HN 0.427 nan 8.250 nan 0.000 0.495 372 P HA 0.007 nan 4.420 nan 0.000 0.276 372 P C -0.617 176.637 177.300 -0.077 0.000 1.235 372 P CA -0.255 62.778 63.100 -0.111 0.000 0.772 372 P CB 0.494 32.078 31.700 -0.192 0.000 0.871 373 D N 1.261 121.632 120.400 -0.048 0.000 2.356 373 D HA -0.035 4.607 4.640 0.002 0.000 0.258 373 D C 1.187 177.457 176.300 -0.049 0.000 1.279 373 D CA -0.194 53.784 54.000 -0.037 0.000 1.016 373 D CB 0.215 40.998 40.800 -0.029 0.000 1.107 373 D HN 0.428 nan 8.370 nan 0.000 0.544 374 E N -0.831 119.345 120.200 -0.040 0.000 2.051 374 E HA -0.240 4.111 4.350 0.002 0.000 0.192 374 E C 2.037 178.613 176.600 -0.039 0.000 0.991 374 E CA 0.700 57.077 56.400 -0.039 0.000 0.799 374 E CB 0.067 29.749 29.700 -0.031 0.000 0.748 374 E HN 0.396 nan 8.360 nan 0.000 0.449 375 R N 0.636 121.116 120.500 -0.033 0.000 2.096 375 R HA -0.217 4.124 4.340 0.002 0.000 0.229 375 R C 2.389 178.668 176.300 -0.034 0.000 1.134 375 R CA 2.056 58.140 56.100 -0.028 0.000 0.917 375 R CB -0.453 29.834 30.300 -0.022 0.000 0.832 375 R HN 0.067 nan 8.270 nan 0.000 0.430 376 E N 0.679 120.856 120.200 -0.038 0.000 2.130 376 E HA -0.213 4.138 4.350 0.002 0.000 0.196 376 E C 1.814 178.362 176.600 -0.087 0.000 0.998 376 E CA 1.243 57.614 56.400 -0.049 0.000 0.806 376 E CB -0.440 29.233 29.700 -0.045 0.000 0.738 376 E HN 0.295 nan 8.360 nan 0.000 0.459 377 L N -0.055 121.109 121.223 -0.098 0.000 2.201 377 L HA 0.093 4.435 4.340 0.002 0.000 0.212 377 L C 2.137 178.949 176.870 -0.097 0.000 1.105 377 L CA 1.922 56.683 54.840 -0.131 0.000 0.775 377 L CB -1.088 40.902 42.059 -0.114 0.000 0.913 377 L HN 0.258 nan 8.230 nan 0.000 0.440 378 A N -0.872 121.911 122.820 -0.061 0.000 1.897 378 A HA -0.167 4.154 4.320 0.002 0.000 0.215 378 A C 2.413 179.980 177.584 -0.028 0.000 1.181 378 A CA 1.239 53.254 52.037 -0.038 0.000 0.620 378 A CB -0.390 18.595 19.000 -0.025 0.000 0.821 378 A HN 0.360 nan 8.150 nan 0.000 0.443 379 R N -0.110 120.373 120.500 -0.028 0.000 2.096 379 R HA -0.099 4.242 4.340 0.002 0.000 0.240 379 R C 2.096 178.396 176.300 0.000 0.000 1.139 379 R CA 1.764 57.860 56.100 -0.007 0.000 0.952 379 R CB -0.303 29.996 30.300 -0.001 0.000 0.854 379 R HN 0.489 nan 8.270 nan 0.000 0.436 380 R N 0.795 121.267 120.500 -0.046 0.000 2.377 380 R HA -0.053 4.288 4.340 0.002 0.000 0.207 380 R C 0.178 176.483 176.300 0.010 0.000 1.075 380 R CA 0.581 56.654 56.100 -0.045 0.000 1.035 380 R CB -0.336 29.781 30.300 -0.304 0.000 0.857 380 R HN 0.221 nan 8.270 nan 0.000 0.475 381 R N -0.265 120.238 120.500 0.004 0.000 3.424 381 R HA -0.260 4.081 4.340 0.002 0.000 0.247 381 R C 0.913 177.230 176.300 0.029 0.000 1.000 381 R CA 0.477 56.589 56.100 0.020 0.000 0.672 381 R CB -2.088 28.236 30.300 0.041 0.000 1.042 381 R HN 0.625 nan 8.270 nan 0.000 0.470 382 G N -2.844 105.960 108.800 0.007 0.000 2.201 382 G HA2 0.034 3.995 3.960 0.002 0.000 0.212 382 G HA3 0.034 3.995 3.960 0.002 0.000 0.212 382 G C 0.769 175.704 174.900 0.058 0.000 0.994 382 G CA -0.089 45.025 45.100 0.022 0.000 0.644 382 G HN 1.361 nan 8.290 nan 0.000 0.508 383 G N -0.823 108.038 108.800 0.101 0.000 2.568 383 G HA2 0.243 4.205 3.960 0.002 0.000 0.222 383 G HA3 0.243 4.205 3.960 0.002 0.000 0.222 383 G C -0.402 174.696 174.900 0.330 0.000 1.321 383 G CA 0.264 45.528 45.100 0.273 0.000 0.893 383 G HN 1.941 nan 8.290 nan 0.000 0.569 384 Y N 0.417 120.836 120.300 0.198 0.000 2.346 384 Y HA 0.646 5.198 4.550 0.002 0.000 0.332 384 Y C 0.290 176.231 175.900 0.069 0.000 0.985 384 Y CA 0.157 58.325 58.100 0.114 0.000 1.112 384 Y CB 1.660 40.172 38.460 0.088 0.000 1.170 384 Y HN 1.461 nan 8.280 nan 0.000 0.447 385 A N 4.513 126.986 122.820 -0.578 0.000 2.610 385 A HA 0.540 4.861 4.320 0.002 0.000 0.290 385 A C 0.380 177.605 177.584 -0.599 0.000 1.001 385 A CA 0.069 51.810 52.037 -0.493 0.000 1.004 385 A CB -0.574 18.307 19.000 -0.198 0.000 1.220 385 A HN 0.970 nan 8.150 nan 0.000 0.507 386 G N -0.705 107.387 108.800 -1.180 0.000 2.476 386 G HA2 0.587 4.548 3.960 0.002 0.000 0.269 386 G HA3 0.587 4.548 3.960 0.002 0.000 0.269 386 G C 0.168 174.947 174.900 -0.202 0.000 1.195 386 G CA 0.212 44.987 45.100 -0.542 0.000 0.843 386 G HN 1.047 nan 8.290 nan 0.000 0.545 387 G N -1.293 107.529 108.800 0.036 0.000 2.548 387 G HA2 0.429 4.390 3.960 0.002 0.000 0.301 387 G HA3 0.429 4.390 3.960 0.002 0.000 0.301 387 G C -1.841 173.193 174.900 0.222 0.000 1.349 387 G CA -0.843 44.372 45.100 0.191 0.000 0.792 387 G HN 0.680 nan 8.290 nan 0.000 0.481 388 Y N 1.115 121.534 120.300 0.197 0.000 2.436 388 Y HA 0.500 5.052 4.550 0.002 0.000 0.336 388 Y C 0.127 176.086 175.900 0.099 0.000 1.049 388 Y CA -0.172 58.020 58.100 0.153 0.000 1.294 388 Y CB 0.545 39.116 38.460 0.184 0.000 1.179 388 Y HN 0.380 nan 8.280 nan 0.000 0.520 389 V N 5.864 125.393 119.914 -0.642 0.000 3.001 389 V HA 0.541 4.662 4.120 0.002 0.000 0.314 389 V C -0.150 175.521 176.094 -0.705 0.000 1.099 389 V CA -1.290 60.691 62.300 -0.532 0.000 0.989 389 V CB 1.764 33.452 31.823 -0.224 0.000 1.040 389 V HN 0.793 nan 8.190 nan 0.000 0.434 390 K N 0.503 120.617 120.400 -0.477 0.000 4.267 390 K HA 0.609 4.931 4.320 0.002 0.000 0.252 390 K C -0.871 175.633 176.600 -0.160 0.000 1.021 390 K CA -0.308 55.784 56.287 -0.325 0.000 1.869 390 K CB 0.992 33.325 32.500 -0.279 0.000 3.055 390 K HN 0.700 nan 8.250 nan 0.000 0.788 391 E N 1.035 121.177 120.200 -0.098 0.000 2.749 391 E HA 0.262 4.613 4.350 0.002 0.000 0.360 391 E C -2.831 173.774 176.600 0.008 0.000 1.037 391 E CA -1.126 55.268 56.400 -0.011 0.000 0.684 391 E CB 0.877 30.571 29.700 -0.010 0.000 1.422 391 E HN 0.174 nan 8.360 nan 0.000 0.407 392 P HA 0.011 nan 4.420 nan 0.000 0.271 392 P C -0.431 176.899 177.300 0.049 0.000 1.212 392 P CA 0.087 63.223 63.100 0.059 0.000 0.788 392 P CB 0.600 32.431 31.700 0.220 0.000 0.865 393 E N 1.705 121.906 120.200 0.001 0.000 2.115 393 E HA 0.139 4.491 4.350 0.002 0.000 0.282 393 E C 0.011 176.826 176.600 0.359 0.000 0.987 393 E CA -0.381 56.079 56.400 0.100 0.000 0.797 393 E CB 0.235 29.868 29.700 -0.112 0.000 1.086 393 E HN 0.178 nan 8.360 nan 0.000 0.397 394 R N 2.115 122.805 120.500 0.316 0.000 2.873 394 R HA 0.430 4.771 4.340 0.002 0.000 0.267 394 R C 0.619 177.142 176.300 0.372 0.000 1.009 394 R CA 0.528 56.791 56.100 0.271 0.000 1.152 394 R CB -0.208 30.152 30.300 0.100 0.000 1.047 394 R HN 0.749 nan 8.270 nan 0.000 0.470 395 G N -0.385 108.435 108.800 0.032 0.000 2.663 395 G HA2 -0.145 3.816 3.960 0.002 0.000 0.686 395 G HA3 -0.145 3.816 3.960 0.002 0.000 0.686 395 G C -1.436 173.363 174.900 -0.169 0.000 1.288 395 G CA -0.590 44.365 45.100 -0.241 0.000 0.836 395 G HN 0.509 nan 8.290 nan 0.000 0.584 396 L N 0.557 121.627 121.223 -0.254 0.000 2.259 396 L HA 0.804 5.145 4.340 0.002 0.000 0.288 396 L C -0.366 176.451 176.870 -0.088 0.000 1.051 396 L CA -1.137 53.733 54.840 0.050 0.000 0.824 396 L CB -0.110 42.090 42.059 0.234 0.000 1.206 396 L HN 0.543 nan 8.230 nan 0.000 0.429 397 W N 3.662 125.069 121.300 0.178 0.000 2.448 397 W HA 0.506 5.167 4.660 0.002 0.000 0.339 397 W C 0.163 176.766 176.519 0.140 0.000 1.124 397 W CA -0.448 56.996 57.345 0.164 0.000 1.262 397 W CB 0.760 30.346 29.460 0.211 0.000 1.251 397 W HN 0.451 nan 8.180 nan 0.000 0.597 398 D N 0.966 121.577 120.400 0.351 0.000 2.385 398 D HA 0.092 4.733 4.640 0.002 0.000 0.254 398 D C -0.070 176.363 176.300 0.221 0.000 1.053 398 D CA -0.469 53.670 54.000 0.233 0.000 0.992 398 D CB 0.795 41.706 40.800 0.185 0.000 1.145 398 D HN 0.441 nan 8.370 nan 0.000 0.523 399 N N 0.903 119.676 118.700 0.122 0.000 2.700 399 N HA -0.197 4.544 4.740 0.002 0.000 0.265 399 N C -0.165 175.357 175.510 0.020 0.000 0.975 399 N CA 0.378 53.452 53.050 0.039 0.000 0.800 399 N CB -0.941 37.828 38.487 0.470 0.000 0.908 399 N HN 0.417 nan 8.380 nan 0.000 0.551 400 I N 0.538 121.057 120.570 -0.085 0.000 2.575 400 I HA 0.135 4.306 4.170 0.002 0.000 0.285 400 I C 0.975 177.188 176.117 0.161 0.000 1.085 400 I CA -0.176 61.230 61.300 0.177 0.000 1.403 400 I CB 1.044 39.258 38.000 0.356 0.000 1.409 400 I HN -0.126 nan 8.210 nan 0.000 0.557 401 V N 6.174 126.307 119.914 0.365 0.000 2.815 401 V HA 0.313 4.435 4.120 0.002 0.000 0.314 401 V C -1.100 175.190 176.094 0.326 0.000 1.064 401 V CA -0.646 61.914 62.300 0.433 0.000 0.952 401 V CB 2.208 34.327 31.823 0.493 0.000 1.020 401 V HN 0.477 nan 8.190 nan 0.000 0.439 402 Y N 4.323 124.673 120.300 0.084 0.000 2.328 402 Y HA 0.564 5.116 4.550 0.002 0.000 0.336 402 Y C -0.870 174.967 175.900 -0.104 0.000 0.960 402 Y CA -0.979 57.066 58.100 -0.091 0.000 1.134 402 Y CB 1.278 39.685 38.460 -0.089 0.000 1.166 402 Y HN 0.391 nan 8.280 nan 0.000 0.464 403 L N 6.314 127.054 121.223 -0.805 0.000 2.272 403 L HA 0.253 4.594 4.340 0.002 0.000 0.289 403 L C -0.762 175.498 176.870 -1.017 0.000 1.032 403 L CA -0.291 54.184 54.840 -0.610 0.000 0.810 403 L CB 1.053 42.930 42.059 -0.304 0.000 1.205 403 L HN 0.768 nan 8.230 nan 0.000 0.422 404 D N 4.100 124.109 120.400 -0.650 0.000 2.233 404 D HA 0.334 4.976 4.640 0.002 0.000 0.240 404 D C -0.427 175.701 176.300 -0.286 0.000 1.074 404 D CA -0.288 53.385 54.000 -0.546 0.000 0.838 404 D CB 0.660 41.340 40.800 -0.201 0.000 1.124 404 D HN 0.251 nan 8.370 nan 0.000 0.475 405 F N 1.641 121.509 119.950 -0.137 0.000 2.679 405 F HA 0.513 5.042 4.527 0.002 0.000 0.354 405 F C 0.831 176.508 175.800 -0.206 0.000 1.423 405 F CA -1.025 56.868 58.000 -0.179 0.000 1.141 405 F CB -0.064 38.814 39.000 -0.204 0.000 1.168 405 F HN 0.218 nan 8.300 nan 0.000 0.530 406 R N -0.551 120.007 120.500 0.096 0.000 2.276 406 R HA 0.123 4.464 4.340 0.002 0.000 0.196 406 R C 1.603 177.954 176.300 0.085 0.000 0.961 406 R CA 0.609 56.834 56.100 0.210 0.000 1.024 406 R CB 0.109 30.543 30.300 0.224 0.000 0.940 406 R HN 0.337 nan 8.270 nan 0.000 0.480 407 S N 0.715 116.400 115.700 -0.025 0.000 2.522 407 S HA 0.062 4.534 4.470 0.002 0.000 0.227 407 S C 1.611 176.094 174.600 -0.195 0.000 0.986 407 S CA 0.475 58.628 58.200 -0.078 0.000 0.929 407 S CB 0.057 63.209 63.200 -0.080 0.000 0.769 407 S HN 0.223 nan 8.310 nan 0.000 0.529 408 L N -0.082 120.931 121.223 -0.350 0.000 1.988 408 L HA -0.125 4.217 4.340 0.002 0.000 0.207 408 L C 2.110 178.710 176.870 -0.450 0.000 1.071 408 L CA 1.465 55.966 54.840 -0.564 0.000 0.744 408 L CB -0.910 40.626 42.059 -0.870 0.000 0.893 408 L HN 0.286 nan 8.230 nan 0.000 0.433 409 Y N -0.090 120.114 120.300 -0.161 0.000 2.096 409 Y HA -0.207 4.344 4.550 0.002 0.000 0.278 409 Y C -0.093 175.715 175.900 -0.153 0.000 1.192 409 Y CA 1.301 59.284 58.100 -0.195 0.000 1.143 409 Y CB -2.551 35.789 38.460 -0.199 0.000 0.963 409 Y HN 0.277 nan 8.280 nan 0.000 0.505 410 P HA -0.092 nan 4.420 nan 0.000 0.218 410 P C 1.755 178.958 177.300 -0.163 0.000 1.149 410 P CA 1.951 65.007 63.100 -0.074 0.000 0.817 410 P CB 0.029 31.676 31.700 -0.088 0.000 0.785 411 S N -0.804 114.778 115.700 -0.195 0.000 2.368 411 S HA -0.062 4.409 4.470 0.002 0.000 0.224 411 S C 1.800 176.231 174.600 -0.281 0.000 1.029 411 S CA 0.891 58.944 58.200 -0.245 0.000 0.988 411 S CB -0.950 62.085 63.200 -0.276 0.000 0.838 411 S HN 0.106 nan 8.310 nan 0.000 0.462 412 I N 0.697 121.117 120.570 -0.250 0.000 2.394 412 I HA -0.156 4.016 4.170 0.002 0.000 0.251 412 I C 1.885 177.858 176.117 -0.240 0.000 1.136 412 I CA 1.018 62.172 61.300 -0.243 0.000 1.425 412 I CB -0.282 37.656 38.000 -0.104 0.000 1.079 412 I HN 0.250 nan 8.210 nan 0.000 0.425 413 I N 0.563 121.029 120.570 -0.174 0.000 2.286 413 I HA -0.253 3.918 4.170 0.002 0.000 0.245 413 I C 2.348 178.325 176.117 -0.233 0.000 1.104 413 I CA 1.449 62.653 61.300 -0.160 0.000 1.397 413 I CB -0.051 37.917 38.000 -0.053 0.000 1.072 413 I HN 0.082 nan 8.210 nan 0.000 0.417 414 I N -0.397 120.021 120.570 -0.253 0.000 2.202 414 I HA -0.263 3.908 4.170 0.002 0.000 0.242 414 I C 2.466 178.394 176.117 -0.315 0.000 1.091 414 I CA 1.390 62.533 61.300 -0.262 0.000 1.368 414 I CB -0.678 37.175 38.000 -0.245 0.000 1.058 414 I HN 0.157 nan 8.210 nan 0.000 0.410 415 T N -0.334 113.971 114.554 -0.414 0.000 2.699 415 T HA -0.193 4.158 4.350 0.002 0.000 0.268 415 T C 1.387 175.662 174.700 -0.708 0.000 1.036 415 T CA 1.399 63.147 62.100 -0.586 0.000 1.147 415 T CB -0.301 68.098 68.868 -0.782 0.000 0.862 415 T HN 0.364 nan 8.240 nan 0.000 0.446 416 H N 0.297 119.087 119.070 -0.467 0.000 2.505 416 H HA 0.302 4.860 4.556 0.002 0.000 0.289 416 H C 0.713 175.851 175.328 -0.316 0.000 1.052 416 H CA -0.344 55.416 56.048 -0.480 0.000 1.156 416 H CB -0.174 28.993 29.762 -0.992 0.000 1.507 416 H HN 0.173 nan 8.280 nan 0.000 0.548 417 N N 0.989 119.556 118.700 -0.221 0.000 2.716 417 N HA -0.175 4.566 4.740 0.002 0.000 0.250 417 N C -0.782 174.581 175.510 -0.245 0.000 1.033 417 N CA 0.270 53.205 53.050 -0.192 0.000 0.727 417 N CB -1.443 36.958 38.487 -0.143 0.000 0.950 417 N HN 0.071 nan 8.380 nan 0.000 0.541 418 V N 0.214 119.878 119.914 -0.417 0.000 2.415 418 V HA 0.451 4.572 4.120 0.002 0.000 0.267 418 V C 0.800 176.693 176.094 -0.336 0.000 1.042 418 V CA 0.108 61.935 62.300 -0.788 0.000 1.000 418 V CB 1.045 32.401 31.823 -0.778 0.000 1.015 418 V HN 0.367 nan 8.190 nan 0.000 0.478 419 S N 5.603 121.200 115.700 -0.171 0.000 2.565 419 S HA 0.561 5.033 4.470 0.002 0.000 0.269 419 S C -2.233 172.486 174.600 0.198 0.000 1.153 419 S CA -0.834 57.435 58.200 0.116 0.000 0.835 419 S CB 2.466 65.767 63.200 0.169 0.000 1.122 419 S HN 0.440 nan 8.310 nan 0.000 0.462 420 P HA 0.016 nan 4.420 nan 0.000 0.223 420 P C 0.394 177.827 177.300 0.221 0.000 1.151 420 P CA 0.902 64.142 63.100 0.235 0.000 0.787 420 P CB -0.172 31.704 31.700 0.294 0.000 0.788 421 D N -0.842 119.712 120.400 0.256 0.000 2.339 421 D HA -0.028 4.613 4.640 0.002 0.000 0.217 421 D C 1.134 177.650 176.300 0.359 0.000 1.050 421 D CA 0.754 54.908 54.000 0.256 0.000 0.856 421 D CB -0.779 40.179 40.800 0.262 0.000 0.922 421 D HN 0.231 nan 8.370 nan 0.000 0.518 422 T N -2.482 112.255 114.554 0.305 0.000 2.959 422 T HA 0.155 4.506 4.350 0.002 0.000 0.254 422 T C 0.733 175.640 174.700 0.345 0.000 1.003 422 T CA -0.536 61.755 62.100 0.317 0.000 0.950 422 T CB -0.280 68.649 68.868 0.103 0.000 1.090 422 T HN 0.057 nan 8.240 nan 0.000 0.503 423 L N 3.521 124.924 121.223 0.300 0.000 2.562 423 L HA 0.290 4.631 4.340 0.002 0.000 0.271 423 L C 0.016 176.852 176.870 -0.056 0.000 1.167 423 L CA 0.679 55.496 54.840 -0.039 0.000 0.917 423 L CB -1.030 41.029 42.059 0.001 0.000 1.187 423 L HN 0.470 nan 8.230 nan 0.000 0.482 424 N N 1.892 120.496 118.700 -0.161 0.000 2.716 424 N HA -0.281 4.460 4.740 0.002 0.000 0.250 424 N C -0.329 175.198 175.510 0.030 0.000 1.033 424 N CA 0.617 53.597 53.050 -0.116 0.000 0.727 424 N CB -0.891 37.521 38.487 -0.125 0.000 0.950 424 N HN 0.605 nan 8.380 nan 0.000 0.541 425 R N 2.278 122.890 120.500 0.186 0.000 2.370 425 R HA 0.068 4.409 4.340 0.002 0.000 0.309 425 R C 0.215 176.666 176.300 0.253 0.000 1.059 425 R CA -0.292 55.948 56.100 0.232 0.000 0.981 425 R CB 0.544 31.053 30.300 0.348 0.000 0.972 425 R HN 0.305 nan 8.270 nan 0.000 0.437 426 E N 3.307 123.594 120.200 0.144 0.000 2.373 426 E HA 0.304 4.656 4.350 0.002 0.000 0.267 426 E C 0.227 176.914 176.600 0.145 0.000 1.032 426 E CA -0.109 56.370 56.400 0.132 0.000 0.889 426 E CB 0.759 30.497 29.700 0.063 0.000 0.984 426 E HN 0.781 nan 8.360 nan 0.000 0.425 427 G N 2.065 110.966 108.800 0.170 0.000 2.160 427 G HA2 -0.272 3.689 3.960 0.002 0.000 0.244 427 G HA3 -0.272 3.689 3.960 0.002 0.000 0.244 427 G C -0.068 174.889 174.900 0.095 0.000 1.022 427 G CA -0.065 45.105 45.100 0.117 0.000 0.741 427 G HN 0.624 nan 8.290 nan 0.000 0.508 428 c N -0.285 118.399 118.600 0.141 0.000 2.370 428 c HA 0.571 5.142 4.570 0.002 0.000 0.354 428 c C 1.955 175.904 174.090 -0.234 0.000 1.218 428 c CA 0.113 56.339 56.329 -0.172 0.000 2.154 428 c CB 1.541 43.682 42.510 -0.615 0.000 2.391 428 c HN 0.735 nan 8.230 nan 0.000 0.540 429 K N 1.351 121.641 120.400 -0.183 0.000 2.296 429 K HA 0.052 4.374 4.320 0.002 0.000 0.200 429 K C 0.471 176.981 176.600 -0.149 0.000 1.048 429 K CA 1.360 57.581 56.287 -0.108 0.000 0.966 429 K CB 0.351 32.817 32.500 -0.057 0.000 0.754 429 K HN 0.796 nan 8.250 nan 0.000 0.466 430 E N -0.568 119.448 120.200 -0.306 0.000 2.331 430 E HA 0.296 4.647 4.350 0.002 0.000 0.275 430 E C -1.778 174.580 176.600 -0.403 0.000 0.895 430 E CA -0.995 55.272 56.400 -0.222 0.000 0.753 430 E CB 1.155 30.799 29.700 -0.092 0.000 1.216 430 E HN 0.107 nan 8.360 nan 0.000 0.434 431 Y N 0.954 121.309 120.300 0.092 0.000 2.534 431 Y HA 0.368 4.919 4.550 0.002 0.000 0.345 431 Y C -0.817 175.174 175.900 0.152 0.000 1.031 431 Y CA -0.964 57.207 58.100 0.117 0.000 1.022 431 Y CB 2.154 40.665 38.460 0.086 0.000 1.292 431 Y HN 0.441 nan 8.280 nan 0.000 0.459 432 D N 0.997 121.646 120.400 0.415 0.000 2.248 432 D HA 0.690 5.332 4.640 0.002 0.000 0.246 432 D C -1.266 175.322 176.300 0.480 0.000 1.027 432 D CA -0.263 53.996 54.000 0.431 0.000 0.853 432 D CB 2.201 43.272 40.800 0.452 0.000 1.243 432 D HN 0.203 nan 8.370 nan 0.000 0.462 433 V N 1.181 121.323 119.914 0.380 0.000 2.487 433 V HA 0.651 4.772 4.120 0.002 0.000 0.298 433 V C 0.121 176.090 176.094 -0.208 0.000 1.028 433 V CA -1.326 61.053 62.300 0.132 0.000 0.860 433 V CB 1.581 33.407 31.823 0.006 0.000 0.991 433 V HN 0.714 nan 8.190 nan 0.000 0.427 434 A N 7.468 129.982 122.820 -0.511 0.000 2.515 434 A HA 0.487 4.808 4.320 0.002 0.000 0.263 434 A C -2.041 175.109 177.584 -0.724 0.000 1.096 434 A CA -0.882 50.480 52.037 -1.126 0.000 0.769 434 A CB -0.470 18.182 19.000 -0.581 0.000 1.040 434 A HN 0.634 nan 8.150 nan 0.000 0.505 435 P HA 0.025 nan 4.420 nan 0.000 0.265 435 P C 0.351 177.462 177.300 -0.314 0.000 1.187 435 P CA 0.509 63.350 63.100 -0.432 0.000 0.766 435 P CB 0.540 32.010 31.700 -0.384 0.000 0.820 436 E N 0.216 120.287 120.200 -0.215 0.000 4.586 436 E HA -0.222 4.129 4.350 0.002 0.000 0.271 436 E C 1.152 177.642 176.600 -0.183 0.000 0.767 436 E CA 2.074 58.378 56.400 -0.160 0.000 1.491 436 E CB -2.247 27.387 29.700 -0.110 0.000 1.758 436 E HN 0.487 nan 8.360 nan 0.000 0.398 437 V N -3.613 116.150 119.914 -0.252 0.000 3.085 437 V HA 0.514 4.636 4.120 0.002 0.000 0.245 437 V C 1.658 177.441 176.094 -0.519 0.000 1.114 437 V CA 1.317 63.419 62.300 -0.329 0.000 1.108 437 V CB 0.194 31.870 31.823 -0.245 0.000 0.798 437 V HN 0.627 nan 8.190 nan 0.000 0.471 438 G N 1.001 109.539 108.800 -0.436 0.000 2.160 438 G HA2 -0.231 3.731 3.960 0.002 0.000 0.251 438 G HA3 -0.231 3.731 3.960 0.002 0.000 0.251 438 G C -0.004 174.634 174.900 -0.436 0.000 1.008 438 G CA 0.445 45.311 45.100 -0.390 0.000 0.724 438 G HN 0.741 nan 8.290 nan 0.000 0.514 439 H N 0.683 119.621 119.070 -0.220 0.000 2.683 439 H HA 0.298 4.856 4.556 0.002 0.000 0.339 439 H C 0.650 175.705 175.328 -0.456 0.000 1.081 439 H CA 0.200 56.041 56.048 -0.345 0.000 1.432 439 H CB 0.851 30.412 29.762 -0.336 0.000 1.462 439 H HN 0.233 nan 8.280 nan 0.000 0.557 440 K N 3.351 123.493 120.400 -0.430 0.000 2.183 440 K HA 0.280 4.602 4.320 0.002 0.000 0.274 440 K C -0.664 175.653 176.600 -0.471 0.000 1.009 440 K CA -0.485 55.598 56.287 -0.341 0.000 0.888 440 K CB 1.019 33.271 32.500 -0.413 0.000 1.078 440 K HN 0.307 nan 8.250 nan 0.000 0.459 441 F N 1.637 121.755 119.950 0.280 0.000 2.434 441 F HA 0.141 4.670 4.527 0.002 0.000 0.355 441 F C 0.793 176.783 175.800 0.317 0.000 1.115 441 F CA -0.942 57.217 58.000 0.264 0.000 1.010 441 F CB 0.794 39.909 39.000 0.191 0.000 1.234 441 F HN 0.515 nan 8.300 nan 0.000 0.439 442 c N 4.263 123.159 118.600 0.494 0.000 2.674 442 c HA 0.030 4.602 4.570 0.002 0.000 0.405 442 c C 1.297 175.423 174.090 0.060 0.000 1.285 442 c CA 0.253 56.714 56.329 0.219 0.000 1.845 442 c CB 0.037 42.759 42.510 0.354 0.000 2.689 442 c HN 0.894 nan 8.230 nan 0.000 0.643 443 K N 1.895 122.273 120.400 -0.036 0.000 2.517 443 K HA 0.098 4.419 4.320 0.002 0.000 0.210 443 K C 0.799 177.386 176.600 -0.022 0.000 1.166 443 K CA -0.113 56.142 56.287 -0.054 0.000 1.030 443 K CB 0.116 32.599 32.500 -0.028 0.000 0.974 443 K HN 0.638 nan 8.250 nan 0.000 0.585 444 D N 1.237 121.678 120.400 0.069 0.000 2.218 444 D HA -0.073 4.569 4.640 0.002 0.000 0.204 444 D C 0.503 176.950 176.300 0.245 0.000 0.976 444 D CA 1.047 55.126 54.000 0.133 0.000 0.853 444 D CB -0.012 40.869 40.800 0.134 0.000 0.939 444 D HN 0.209 nan 8.370 nan 0.000 0.481 445 F N -1.621 118.318 119.950 -0.017 0.000 2.578 445 F HA 0.618 5.146 4.527 0.002 0.000 0.311 445 F C -3.071 172.737 175.800 0.013 0.000 1.094 445 F CA -3.720 54.280 58.000 -0.001 0.000 0.923 445 F CB 0.638 39.643 39.000 0.009 0.000 1.230 445 F HN -0.377 nan 8.300 nan 0.000 0.450 446 P HA 0.306 nan 4.420 nan 0.000 0.271 446 P C 0.199 177.356 177.300 -0.239 0.000 1.220 446 P CA 0.106 63.088 63.100 -0.197 0.000 0.768 446 P CB 0.942 32.595 31.700 -0.078 0.000 0.848 447 G N 1.779 110.412 108.800 -0.278 0.000 2.572 447 G HA2 0.081 4.042 3.960 0.002 0.000 0.261 447 G HA3 0.081 4.042 3.960 0.002 0.000 0.261 447 G C 0.379 175.314 174.900 0.058 0.000 1.197 447 G CA -0.441 44.584 45.100 -0.125 0.000 0.870 447 G HN 0.374 nan 8.290 nan 0.000 0.548 448 F N 1.086 121.037 119.950 0.002 0.000 2.025 448 F HA -0.138 4.391 4.527 0.002 0.000 0.297 448 F C 2.419 178.190 175.800 -0.049 0.000 1.132 448 F CA 1.674 59.671 58.000 -0.005 0.000 1.191 448 F CB -0.418 38.597 39.000 0.025 0.000 0.963 448 F HN 0.287 nan 8.300 nan 0.000 0.481 449 I N 0.299 120.821 120.570 -0.081 0.000 2.142 449 I HA -0.212 3.960 4.170 0.002 0.000 0.240 449 I C -0.708 175.242 176.117 -0.278 0.000 1.078 449 I CA 1.535 62.692 61.300 -0.239 0.000 1.343 449 I CB -1.554 36.462 38.000 0.025 0.000 1.046 449 I HN 0.107 nan 8.210 nan 0.000 0.405 450 P HA -0.235 nan 4.420 nan 0.000 0.215 450 P C 1.931 179.097 177.300 -0.222 0.000 1.157 450 P CA 1.916 64.892 63.100 -0.207 0.000 0.874 450 P CB -0.112 31.488 31.700 -0.168 0.000 0.790 451 S N -1.109 114.483 115.700 -0.179 0.000 2.359 451 S HA -0.161 4.310 4.470 0.002 0.000 0.224 451 S C 1.870 176.361 174.600 -0.182 0.000 1.035 451 S CA 1.277 59.386 58.200 -0.152 0.000 1.018 451 S CB -1.076 62.072 63.200 -0.088 0.000 0.876 451 S HN -0.017 nan 8.310 nan 0.000 0.448 452 L N 0.515 121.585 121.223 -0.256 0.000 2.056 452 L HA -0.019 4.323 4.340 0.002 0.000 0.207 452 L C 2.520 179.257 176.870 -0.223 0.000 1.078 452 L CA 0.563 55.280 54.840 -0.205 0.000 0.749 452 L CB -0.537 41.386 42.059 -0.226 0.000 0.901 452 L HN 0.321 nan 8.230 nan 0.000 0.433 453 L N 0.502 121.488 121.223 -0.395 0.000 2.043 453 L HA -0.146 4.195 4.340 0.002 0.000 0.212 453 L C 2.444 179.137 176.870 -0.295 0.000 1.075 453 L CA 2.185 56.733 54.840 -0.486 0.000 0.752 453 L CB -1.545 40.153 42.059 -0.602 0.000 0.891 453 L HN 0.220 nan 8.230 nan 0.000 0.432 454 G N -1.368 107.291 108.800 -0.234 0.000 2.421 454 G HA2 -0.275 3.686 3.960 0.002 0.000 0.216 454 G HA3 -0.275 3.686 3.960 0.002 0.000 0.216 454 G C 1.327 176.145 174.900 -0.137 0.000 1.171 454 G CA 0.752 45.746 45.100 -0.177 0.000 0.775 454 G HN 0.364 nan 8.290 nan 0.000 0.543 455 D N 0.501 120.831 120.400 -0.116 0.000 2.123 455 D HA -0.090 4.551 4.640 0.002 0.000 0.196 455 D C 2.656 178.917 176.300 -0.065 0.000 0.992 455 D CA 0.533 54.489 54.000 -0.073 0.000 0.833 455 D CB -0.324 40.449 40.800 -0.044 0.000 0.954 455 D HN 0.286 nan 8.370 nan 0.000 0.455 456 L N 0.304 121.476 121.223 -0.085 0.000 1.989 456 L HA -0.191 4.150 4.340 0.002 0.000 0.211 456 L C 2.585 179.398 176.870 -0.094 0.000 1.071 456 L CA 0.925 55.711 54.840 -0.090 0.000 0.749 456 L CB -0.443 41.522 42.059 -0.158 0.000 0.890 456 L HN 0.074 nan 8.230 nan 0.000 0.431 457 L N -1.088 120.065 121.223 -0.118 0.000 2.131 457 L HA -0.182 4.160 4.340 0.002 0.000 0.210 457 L C 2.644 179.462 176.870 -0.087 0.000 1.092 457 L CA 0.745 55.521 54.840 -0.107 0.000 0.759 457 L CB -0.651 41.332 42.059 -0.127 0.000 0.903 457 L HN 0.299 nan 8.230 nan 0.000 0.435 458 E N 0.530 120.681 120.200 -0.082 0.000 2.028 458 E HA -0.218 4.134 4.350 0.002 0.000 0.191 458 E C 2.046 178.614 176.600 -0.053 0.000 0.988 458 E CA 1.124 57.484 56.400 -0.067 0.000 0.799 458 E CB -0.011 29.652 29.700 -0.062 0.000 0.755 458 E HN 0.241 nan 8.360 nan 0.000 0.447 459 E N 0.909 121.081 120.200 -0.046 0.000 2.049 459 E HA -0.212 4.139 4.350 0.002 0.000 0.198 459 E C 2.207 178.785 176.600 -0.037 0.000 1.007 459 E CA 1.653 58.033 56.400 -0.033 0.000 0.809 459 E CB -0.341 29.346 29.700 -0.021 0.000 0.749 459 E HN 0.169 nan 8.360 nan 0.000 0.450 460 R N -0.283 120.189 120.500 -0.048 0.000 2.091 460 R HA -0.165 4.176 4.340 0.002 0.000 0.238 460 R C 2.252 178.523 176.300 -0.048 0.000 1.136 460 R CA 1.636 57.707 56.100 -0.049 0.000 0.959 460 R CB -0.085 30.180 30.300 -0.059 0.000 0.856 460 R HN 0.106 nan 8.270 nan 0.000 0.437 461 Q N 0.704 120.472 119.800 -0.053 0.000 2.124 461 Q HA -0.131 4.211 4.340 0.002 0.000 0.202 461 Q C 1.885 177.859 176.000 -0.043 0.000 0.977 461 Q CA 1.512 57.284 55.803 -0.051 0.000 0.850 461 Q CB -0.084 28.619 28.738 -0.058 0.000 0.901 461 Q HN 0.374 nan 8.270 nan 0.000 0.429 462 K N 0.103 120.479 120.400 -0.040 0.000 2.032 462 K HA -0.116 4.206 4.320 0.002 0.000 0.209 462 K C 2.209 178.791 176.600 -0.030 0.000 1.048 462 K CA 1.151 57.418 56.287 -0.033 0.000 0.927 462 K CB -0.208 32.275 32.500 -0.029 0.000 0.712 462 K HN 0.142 nan 8.250 nan 0.000 0.441 463 I N 1.310 121.862 120.570 -0.030 0.000 2.127 463 I HA -0.322 3.849 4.170 0.002 0.000 0.241 463 I C 2.296 178.392 176.117 -0.033 0.000 1.075 463 I CA 1.284 62.568 61.300 -0.028 0.000 1.334 463 I CB -0.197 37.787 38.000 -0.026 0.000 1.040 463 I HN 0.090 nan 8.210 nan 0.000 0.405 464 K N 0.574 120.951 120.400 -0.039 0.000 2.113 464 K HA -0.208 4.113 4.320 0.002 0.000 0.208 464 K C 2.240 178.817 176.600 -0.038 0.000 1.047 464 K CA 1.563 57.825 56.287 -0.042 0.000 0.928 464 K CB -0.276 32.197 32.500 -0.045 0.000 0.716 464 K HN 0.406 nan 8.250 nan 0.000 0.446 465 R N 0.583 121.062 120.500 -0.035 0.000 2.055 465 R HA -0.088 4.254 4.340 0.002 0.000 0.226 465 R C 2.361 178.645 176.300 -0.028 0.000 1.135 465 R CA 1.236 57.317 56.100 -0.031 0.000 0.959 465 R CB -0.223 30.058 30.300 -0.031 0.000 0.854 465 R HN 0.046 nan 8.270 nan 0.000 0.431 466 K N 1.354 121.739 120.400 -0.026 0.000 2.152 466 K HA -0.161 4.161 4.320 0.002 0.000 0.206 466 K C 2.075 178.661 176.600 -0.023 0.000 1.048 466 K CA 1.487 57.761 56.287 -0.022 0.000 0.933 466 K CB -0.088 32.401 32.500 -0.019 0.000 0.721 466 K HN 0.117 nan 8.250 nan 0.000 0.447 467 M N 0.753 120.336 119.600 -0.029 0.000 2.200 467 M HA -0.129 4.352 4.480 0.002 0.000 0.265 467 M C 1.895 178.175 176.300 -0.034 0.000 1.066 467 M CA 1.634 56.913 55.300 -0.034 0.000 1.127 467 M CB -0.147 32.426 32.600 -0.045 0.000 1.379 467 M HN 0.083 nan 8.290 nan 0.000 0.420 468 K N 0.367 120.748 120.400 -0.032 0.000 2.228 468 K HA 0.063 4.384 4.320 0.002 0.000 0.202 468 K C 0.554 177.140 176.600 -0.024 0.000 1.051 468 K CA 1.231 57.501 56.287 -0.030 0.000 0.960 468 K CB -0.160 32.322 32.500 -0.030 0.000 0.743 468 K HN 0.356 nan 8.250 nan 0.000 0.458 469 A N 1.706 124.512 122.820 -0.022 0.000 3.293 469 A HA 0.257 4.579 4.320 0.002 0.000 0.282 469 A C -0.580 176.994 177.584 -0.016 0.000 1.394 469 A CA -0.350 51.676 52.037 -0.018 0.000 1.118 469 A CB -0.003 18.986 19.000 -0.018 0.000 1.133 469 A HN 0.261 nan 8.150 nan 0.000 0.627 470 T N -0.701 113.843 114.554 -0.016 0.000 2.952 470 T HA 0.362 4.714 4.350 0.002 0.000 0.305 470 T C 0.795 175.488 174.700 -0.011 0.000 1.064 470 T CA 0.254 62.346 62.100 -0.013 0.000 1.008 470 T CB 1.433 70.293 68.868 -0.014 0.000 1.078 470 T HN 0.771 nan 8.240 nan 0.000 0.459 471 V N 0.715 120.625 119.914 -0.007 0.000 3.354 471 V HA 0.364 4.485 4.120 0.002 0.000 0.258 471 V C 0.787 176.879 176.094 -0.003 0.000 1.159 471 V CA 0.485 62.782 62.300 -0.005 0.000 1.125 471 V CB -0.101 31.720 31.823 -0.003 0.000 0.774 471 V HN 0.776 nan 8.190 nan 0.000 0.464 472 D N 2.954 123.353 120.400 -0.002 0.000 2.359 472 D HA 0.183 4.825 4.640 0.002 0.000 0.250 472 D C -1.187 175.114 176.300 0.000 0.000 1.264 472 D CA -1.856 52.146 54.000 0.002 0.000 0.911 472 D CB 1.800 42.602 40.800 0.004 0.000 1.056 472 D HN 0.276 nan 8.370 nan 0.000 0.499 473 P HA -0.135 nan 4.420 nan 0.000 0.219 473 P C 1.791 179.094 177.300 0.006 0.000 1.146 473 P CA 0.683 63.783 63.100 0.001 0.000 0.808 473 P CB 0.514 32.217 31.700 0.005 0.000 0.779 474 L N -0.194 121.038 121.223 0.016 0.000 2.023 474 L HA -0.090 4.252 4.340 0.002 0.000 0.205 474 L C 2.863 179.748 176.870 0.025 0.000 1.073 474 L CA 1.436 56.293 54.840 0.028 0.000 0.745 474 L CB -1.150 40.929 42.059 0.034 0.000 0.900 474 L HN -0.024 nan 8.230 nan 0.000 0.435 475 E N 0.660 120.870 120.200 0.016 0.000 2.097 475 E HA -0.298 4.053 4.350 0.002 0.000 0.196 475 E C 2.163 178.761 176.600 -0.003 0.000 1.000 475 E CA 1.571 57.978 56.400 0.011 0.000 0.804 475 E CB 0.119 29.822 29.700 0.006 0.000 0.740 475 E HN 0.273 nan 8.360 nan 0.000 0.454 476 K N 0.600 120.991 120.400 -0.015 0.000 2.020 476 K HA -0.223 4.099 4.320 0.002 0.000 0.212 476 K C 2.188 178.747 176.600 -0.069 0.000 1.050 476 K CA 1.742 58.005 56.287 -0.040 0.000 0.929 476 K CB -0.046 32.430 32.500 -0.040 0.000 0.714 476 K HN -0.170 nan 8.250 nan 0.000 0.443 477 K N 0.766 121.128 120.400 -0.063 0.000 2.057 477 K HA -0.129 4.192 4.320 0.002 0.000 0.207 477 K C 1.886 178.435 176.600 -0.085 0.000 1.049 477 K CA 1.093 57.307 56.287 -0.121 0.000 0.931 477 K CB -0.621 31.864 32.500 -0.025 0.000 0.714 477 K HN 0.111 nan 8.250 nan 0.000 0.440 478 L N 0.695 121.947 121.223 0.048 0.000 1.989 478 L HA -0.121 4.220 4.340 0.002 0.000 0.211 478 L C 1.913 178.828 176.870 0.074 0.000 1.071 478 L CA 1.760 56.674 54.840 0.123 0.000 0.749 478 L CB -0.722 41.386 42.059 0.081 0.000 0.890 478 L HN 0.224 nan 8.230 nan 0.000 0.431 479 L N -0.544 120.684 121.223 0.008 0.000 2.131 479 L HA -0.190 4.151 4.340 0.002 0.000 0.210 479 L C 2.356 179.198 176.870 -0.046 0.000 1.092 479 L CA 1.368 56.202 54.840 -0.012 0.000 0.759 479 L CB -0.915 41.130 42.059 -0.023 0.000 0.903 479 L HN 0.366 nan 8.230 nan 0.000 0.435 480 D N -0.242 120.088 120.400 -0.118 0.000 2.144 480 D HA -0.226 4.415 4.640 0.002 0.000 0.199 480 D C 2.077 178.267 176.300 -0.183 0.000 0.984 480 D CA 1.585 55.469 54.000 -0.194 0.000 0.834 480 D CB 0.001 40.610 40.800 -0.318 0.000 0.955 480 D HN 0.262 nan 8.370 nan 0.000 0.465 481 Y N 1.053 121.326 120.300 -0.046 0.000 2.200 481 Y HA -0.011 4.541 4.550 0.002 0.000 0.290 481 Y C 2.610 178.477 175.900 -0.056 0.000 1.137 481 Y CA 1.107 59.173 58.100 -0.057 0.000 1.163 481 Y CB -0.278 38.147 38.460 -0.059 0.000 0.988 481 Y HN 0.000 nan 8.280 nan 0.000 0.518 482 R N 0.170 120.730 120.500 0.100 0.000 2.075 482 R HA -0.208 4.134 4.340 0.002 0.000 0.232 482 R C 2.134 178.437 176.300 0.006 0.000 1.126 482 R CA 1.639 57.763 56.100 0.040 0.000 0.963 482 R CB -0.627 29.688 30.300 0.025 0.000 0.858 482 R HN 0.461 nan 8.270 nan 0.000 0.435 483 Q N 1.136 120.929 119.800 -0.012 0.000 2.119 483 Q HA -0.096 4.245 4.340 0.002 0.000 0.201 483 Q C 1.839 177.821 176.000 -0.030 0.000 0.972 483 Q CA 1.343 57.128 55.803 -0.030 0.000 0.847 483 Q CB -0.295 28.417 28.738 -0.043 0.000 0.903 483 Q HN 0.224 nan 8.270 nan 0.000 0.433 484 R N 0.475 120.963 120.500 -0.020 0.000 2.148 484 R HA 0.079 4.421 4.340 0.002 0.000 0.227 484 R C 2.228 178.524 176.300 -0.008 0.000 1.103 484 R CA 1.067 57.159 56.100 -0.014 0.000 0.983 484 R CB -0.419 29.880 30.300 -0.002 0.000 0.874 484 R HN 0.450 nan 8.270 nan 0.000 0.451 485 A N 1.569 124.388 122.820 -0.002 0.000 1.874 485 A HA -0.055 4.266 4.320 0.002 0.000 0.214 485 A C 2.165 179.720 177.584 -0.049 0.000 1.189 485 A CA 0.779 52.804 52.037 -0.021 0.000 0.615 485 A CB -0.332 18.658 19.000 -0.017 0.000 0.830 485 A HN 0.115 nan 8.150 nan 0.000 0.443 486 I N -0.148 120.390 120.570 -0.052 0.000 2.208 486 I HA -0.301 3.871 4.170 0.002 0.000 0.245 486 I C 2.515 178.590 176.117 -0.071 0.000 1.097 486 I CA 1.950 63.202 61.300 -0.081 0.000 1.363 486 I CB -0.183 37.775 38.000 -0.071 0.000 1.051 486 I HN 0.407 nan 8.210 nan 0.000 0.413 487 K N 1.534 121.906 120.400 -0.048 0.000 2.063 487 K HA -0.191 4.130 4.320 0.002 0.000 0.208 487 K C 2.072 178.661 176.600 -0.018 0.000 1.048 487 K CA 1.576 57.843 56.287 -0.032 0.000 0.928 487 K CB -0.128 32.356 32.500 -0.026 0.000 0.713 487 K HN 0.228 nan 8.250 nan 0.000 0.442 488 I N 0.831 121.386 120.570 -0.026 0.000 2.179 488 I HA -0.281 3.890 4.170 0.002 0.000 0.242 488 I C 2.281 178.377 176.117 -0.036 0.000 1.088 488 I CA 0.657 61.944 61.300 -0.022 0.000 1.357 488 I CB -0.303 37.679 38.000 -0.030 0.000 1.051 488 I HN 0.240 nan 8.210 nan 0.000 0.409 489 L N 1.190 122.368 121.223 -0.076 0.000 1.970 489 L HA -0.186 4.155 4.340 0.002 0.000 0.212 489 L C 2.623 179.517 176.870 0.039 0.000 1.071 489 L CA 2.291 57.057 54.840 -0.124 0.000 0.751 489 L CB -1.184 40.725 42.059 -0.251 0.000 0.889 489 L HN 0.232 nan 8.230 nan 0.000 0.432 490 A N -0.177 122.681 122.820 0.064 0.000 1.896 490 A HA -0.308 4.014 4.320 0.002 0.000 0.220 490 A C 1.939 179.647 177.584 0.207 0.000 1.206 490 A CA 2.323 54.429 52.037 0.116 0.000 0.647 490 A CB -1.130 17.850 19.000 -0.033 0.000 0.828 490 A HN 0.664 nan 8.150 nan 0.000 0.455 491 N N 0.101 118.877 118.700 0.127 0.000 2.609 491 N HA 0.011 4.752 4.740 0.002 0.000 0.190 491 N C 1.044 176.663 175.510 0.180 0.000 1.157 491 N CA 1.002 54.154 53.050 0.169 0.000 0.918 491 N CB -0.105 38.459 38.487 0.128 0.000 0.978 491 N HN 0.478 nan 8.380 nan 0.000 0.448 492 S N -0.887 114.892 115.700 0.132 0.000 2.511 492 S HA 0.209 4.681 4.470 0.002 0.000 0.214 492 S C 1.193 175.814 174.600 0.035 0.000 0.997 492 S CA -0.392 57.825 58.200 0.029 0.000 0.908 492 S CB 0.040 63.170 63.200 -0.117 0.000 0.803 492 S HN 0.202 nan 8.310 nan 0.000 0.504 493 F N 0.960 120.907 119.950 -0.006 0.000 2.186 493 F HA -0.069 4.460 4.527 0.002 0.000 0.299 493 F C 2.279 178.140 175.800 0.102 0.000 1.090 493 F CA 0.973 58.944 58.000 -0.050 0.000 1.307 493 F CB -0.602 38.308 39.000 -0.151 0.000 1.019 493 F HN 0.217 nan 8.300 nan 0.000 0.489 494 Y N 1.157 121.610 120.300 0.254 0.000 2.053 494 Y HA -0.184 4.367 4.550 0.002 0.000 0.277 494 Y C 2.442 178.479 175.900 0.228 0.000 1.159 494 Y CA 1.443 59.686 58.100 0.239 0.000 1.125 494 Y CB -1.184 37.332 38.460 0.095 0.000 0.969 494 Y HN 0.018 nan 8.280 nan 0.000 0.492 495 G N -1.296 107.521 108.800 0.028 0.000 2.422 495 G HA2 -0.361 3.600 3.960 0.002 0.000 0.218 495 G HA3 -0.361 3.600 3.960 0.002 0.000 0.218 495 G C 1.715 176.697 174.900 0.136 0.000 1.146 495 G CA 0.904 45.967 45.100 -0.061 0.000 0.769 495 G HN 0.594 nan 8.290 nan 0.000 0.547 496 Y N 0.318 120.642 120.300 0.039 0.000 2.207 496 Y HA -0.214 4.337 4.550 0.003 0.000 0.287 496 Y C 2.508 178.568 175.900 0.268 0.000 1.156 496 Y CA 1.463 59.625 58.100 0.103 0.000 1.182 496 Y CB -0.259 38.142 38.460 -0.099 0.000 0.979 496 Y HN 0.229 nan 8.280 nan 0.000 0.521 497 Y N -0.158 120.291 120.300 0.249 0.000 2.207 497 Y HA -0.105 4.447 4.550 0.003 0.000 0.287 497 Y C 2.586 178.484 175.900 -0.004 0.000 1.156 497 Y CA 1.419 59.590 58.100 0.119 0.000 1.182 497 Y CB -0.962 37.614 38.460 0.194 0.000 0.979 497 Y HN 0.222 nan 8.280 nan 0.000 0.521 498 G N -2.733 106.246 108.800 0.298 0.000 3.088 498 G HA2 -0.124 3.837 3.960 0.002 0.000 0.217 498 G HA3 -0.124 3.837 3.960 0.002 0.000 0.217 498 G C -0.191 174.974 174.900 0.442 0.000 1.159 498 G CA -0.200 45.104 45.100 0.340 0.000 0.760 498 G HN 0.266 nan 8.290 nan 0.000 0.550 499 Y N 2.433 122.836 120.300 0.173 0.000 2.587 499 Y HA 0.416 4.968 4.550 0.002 0.000 0.344 499 Y C 1.397 177.331 175.900 0.055 0.000 1.061 499 Y CA -1.383 56.759 58.100 0.069 0.000 1.370 499 Y CB 0.863 39.307 38.460 -0.025 0.000 1.163 499 Y HN 0.053 nan 8.280 nan 0.000 0.527 500 A N 6.149 128.873 122.820 -0.160 0.000 2.093 500 A HA -0.197 4.124 4.320 0.002 0.000 0.222 500 A C 1.929 179.103 177.584 -0.684 0.000 1.162 500 A CA 1.746 53.487 52.037 -0.493 0.000 0.655 500 A CB -0.300 18.534 19.000 -0.276 0.000 0.805 500 A HN 0.768 nan 8.150 nan 0.000 0.461 501 K N -0.389 119.424 120.400 -0.979 0.000 2.393 501 K HA 0.318 4.639 4.320 0.002 0.000 0.193 501 K C 0.845 177.063 176.600 -0.637 0.000 1.026 501 K CA 0.543 56.381 56.287 -0.749 0.000 1.064 501 K CB -0.330 31.791 32.500 -0.631 0.000 0.833 501 K HN 0.422 nan 8.250 nan 0.000 0.521 502 A N 2.066 124.422 122.820 -0.774 0.000 2.555 502 A HA -0.039 4.282 4.320 0.002 0.000 0.233 502 A C 1.129 178.663 177.584 -0.084 0.000 1.060 502 A CA 0.134 51.976 52.037 -0.325 0.000 0.759 502 A CB 0.261 18.892 19.000 -0.615 0.000 0.995 502 A HN 0.290 nan 8.150 nan 0.000 0.506 503 R N 1.358 121.928 120.500 0.117 0.000 2.080 503 R HA -0.035 4.306 4.340 0.002 0.000 0.222 503 R C 0.504 176.781 176.300 -0.039 0.000 1.107 503 R CA 1.088 57.163 56.100 -0.042 0.000 0.980 503 R CB 0.051 30.216 30.300 -0.225 0.000 0.879 503 R HN 0.893 nan 8.270 nan 0.000 0.439 504 W N 1.592 123.074 121.300 0.304 0.000 3.314 504 W HA 0.121 4.782 4.660 0.002 0.000 0.419 504 W C -0.126 176.585 176.519 0.321 0.000 1.021 504 W CA -1.113 56.449 57.345 0.362 0.000 1.935 504 W CB -0.595 29.195 29.460 0.552 0.000 1.008 504 W HN 0.037 nan 8.180 nan 0.000 0.803 505 Y N 0.908 121.298 120.300 0.150 0.000 2.788 505 Y HA 0.000 4.552 4.550 0.002 0.000 0.341 505 Y C 0.112 176.128 175.900 0.193 0.000 1.258 505 Y CA 0.708 58.848 58.100 0.067 0.000 1.503 505 Y CB 0.667 39.101 38.460 -0.044 0.000 1.325 505 Y HN 0.007 nan 8.280 nan 0.000 0.614 506 C N 9.164 128.217 119.300 -0.410 0.000 3.277 506 C HA 0.193 4.654 4.460 0.002 0.000 0.352 506 C C 0.947 175.602 174.990 -0.558 0.000 0.998 506 C CA -1.140 57.651 59.018 -0.378 0.000 1.303 506 C CB -0.677 26.955 27.740 -0.181 0.000 1.698 506 C HN 1.135 nan 8.230 nan 0.000 0.574 507 K N 1.594 121.543 120.400 -0.751 0.000 2.103 507 K HA -0.161 4.160 4.320 0.002 0.000 0.207 507 K C 1.455 177.777 176.600 -0.463 0.000 1.048 507 K CA 2.242 58.225 56.287 -0.507 0.000 0.930 507 K CB 0.259 32.585 32.500 -0.290 0.000 0.716 507 K HN 0.810 nan 8.250 nan 0.000 0.444 508 E N 0.381 120.294 120.200 -0.478 0.000 2.038 508 E HA -0.204 4.147 4.350 0.002 0.000 0.195 508 E C 2.190 178.590 176.600 -0.334 0.000 1.000 508 E CA 1.843 57.819 56.400 -0.707 0.000 0.803 508 E CB -0.517 28.692 29.700 -0.819 0.000 0.750 508 E HN 0.342 nan 8.360 nan 0.000 0.448 509 C N 0.744 119.887 119.300 -0.262 0.000 2.398 509 C HA -0.188 4.273 4.460 0.002 0.000 0.276 509 C C 2.848 177.694 174.990 -0.241 0.000 1.222 509 C CA 0.922 59.717 59.018 -0.372 0.000 1.746 509 C CB -1.282 25.811 27.740 -1.079 0.000 2.039 509 C HN 0.554 nan 8.230 nan 0.000 0.470 510 A N 0.309 123.017 122.820 -0.187 0.000 1.877 510 A HA -0.216 4.105 4.320 0.002 0.000 0.216 510 A C 2.042 179.605 177.584 -0.035 0.000 1.186 510 A CA 1.856 53.945 52.037 0.087 0.000 0.620 510 A CB -0.642 18.444 19.000 0.145 0.000 0.822 510 A HN 0.708 nan 8.150 nan 0.000 0.443 511 E N -0.131 119.817 120.200 -0.420 0.000 2.085 511 E HA -0.134 4.218 4.350 0.002 0.000 0.194 511 E C 2.348 178.952 176.600 0.007 0.000 0.994 511 E CA 1.452 57.646 56.400 -0.343 0.000 0.801 511 E CB -0.119 29.405 29.700 -0.293 0.000 0.743 511 E HN 0.617 nan 8.360 nan 0.000 0.453 512 S N 0.245 116.003 115.700 0.096 0.000 2.383 512 S HA -0.114 4.358 4.470 0.002 0.000 0.227 512 S C 2.175 176.927 174.600 0.254 0.000 1.026 512 S CA 0.812 59.119 58.200 0.178 0.000 0.981 512 S CB -0.093 63.375 63.200 0.446 0.000 0.818 512 S HN 0.060 nan 8.310 nan 0.000 0.472 513 V N 1.939 121.971 119.914 0.197 0.000 2.407 513 V HA -0.171 3.950 4.120 0.002 0.000 0.248 513 V C 2.503 178.664 176.094 0.112 0.000 1.055 513 V CA 1.986 64.370 62.300 0.141 0.000 1.049 513 V CB -1.329 30.439 31.823 -0.091 0.000 0.662 513 V HN 0.502 nan 8.190 nan 0.000 0.455 514 T N 0.413 115.065 114.554 0.163 0.000 2.708 514 T HA -0.160 4.192 4.350 0.002 0.000 0.266 514 T C 2.104 176.927 174.700 0.205 0.000 1.037 514 T CA 1.666 63.919 62.100 0.256 0.000 1.146 514 T CB -0.431 68.683 68.868 0.409 0.000 0.865 514 T HN 0.577 nan 8.240 nan 0.000 0.435 515 A N 1.294 124.182 122.820 0.114 0.000 1.851 515 A HA -0.135 4.186 4.320 0.002 0.000 0.216 515 A C 2.212 179.801 177.584 0.008 0.000 1.195 515 A CA 1.384 53.416 52.037 -0.009 0.000 0.622 515 A CB -1.105 17.775 19.000 -0.199 0.000 0.831 515 A HN 0.608 nan 8.150 nan 0.000 0.444 516 W N -0.056 121.247 121.300 0.005 0.000 2.374 516 W HA -0.086 4.575 4.660 0.002 0.000 0.288 516 W C 2.463 178.990 176.519 0.014 0.000 1.218 516 W CA 1.076 58.414 57.345 -0.012 0.000 1.245 516 W CB -1.130 28.303 29.460 -0.046 0.000 1.126 516 W HN 0.476 nan 8.180 nan 0.000 0.545 517 G N 0.088 109.047 108.800 0.266 0.000 2.421 517 G HA2 -0.250 3.711 3.960 0.002 0.000 0.216 517 G HA3 -0.250 3.711 3.960 0.002 0.000 0.216 517 G C 1.795 176.708 174.900 0.021 0.000 1.171 517 G CA 0.699 45.899 45.100 0.167 0.000 0.775 517 G HN 0.026 nan 8.290 nan 0.000 0.543 518 R N 0.561 121.092 120.500 0.050 0.000 2.094 518 R HA -0.130 4.211 4.340 0.002 0.000 0.239 518 R C 2.394 178.621 176.300 -0.121 0.000 1.137 518 R CA 1.967 58.027 56.100 -0.066 0.000 0.943 518 R CB -0.667 29.705 30.300 0.120 0.000 0.850 518 R HN 0.560 nan 8.270 nan 0.000 0.433 519 E N -0.785 119.412 120.200 -0.006 0.000 2.026 519 E HA -0.281 4.070 4.350 0.002 0.000 0.206 519 E C 1.930 178.510 176.600 -0.034 0.000 1.028 519 E CA 2.124 58.528 56.400 0.007 0.000 0.845 519 E CB -0.448 29.310 29.700 0.098 0.000 0.772 519 E HN 0.330 nan 8.360 nan 0.000 0.462 520 Y N 0.801 121.028 120.300 -0.121 0.000 2.114 520 Y HA -0.255 4.296 4.550 0.002 0.000 0.282 520 Y C 2.048 177.762 175.900 -0.310 0.000 1.165 520 Y CA 2.103 60.090 58.100 -0.189 0.000 1.148 520 Y CB -0.219 38.118 38.460 -0.205 0.000 0.972 520 Y HN 0.138 nan 8.280 nan 0.000 0.504 521 I N -0.388 120.040 120.570 -0.235 0.000 2.286 521 I HA -0.273 3.898 4.170 0.002 0.000 0.248 521 I C 2.261 178.143 176.117 -0.391 0.000 1.115 521 I CA 1.501 62.489 61.300 -0.520 0.000 1.392 521 I CB -0.432 36.971 38.000 -0.994 0.000 1.065 521 I HN 0.180 nan 8.210 nan 0.000 0.418 522 E N 0.873 120.880 120.200 -0.323 0.000 2.058 522 E HA -0.232 4.119 4.350 0.002 0.000 0.194 522 E C 2.164 178.675 176.600 -0.148 0.000 0.997 522 E CA 1.698 57.991 56.400 -0.178 0.000 0.801 522 E CB -0.214 29.423 29.700 -0.106 0.000 0.746 522 E HN 0.324 nan 8.360 nan 0.000 0.450 523 M N -0.771 118.708 119.600 -0.202 0.000 2.117 523 M HA -0.139 4.343 4.480 0.002 0.000 0.262 523 M C 2.245 178.441 176.300 -0.173 0.000 1.065 523 M CA 1.270 56.449 55.300 -0.202 0.000 1.114 523 M CB -0.155 32.260 32.600 -0.308 0.000 1.361 523 M HN 0.193 nan 8.290 nan 0.000 0.408 524 V N -0.411 119.361 119.914 -0.236 0.000 2.667 524 V HA -0.156 3.966 4.120 0.002 0.000 0.252 524 V C 1.843 177.956 176.094 0.031 0.000 1.065 524 V CA 1.460 63.731 62.300 -0.048 0.000 1.083 524 V CB -0.476 31.336 31.823 -0.018 0.000 0.692 524 V HN 0.456 nan 8.190 nan 0.000 0.468 525 I N -0.095 120.443 120.570 -0.053 0.000 2.163 525 I HA -0.179 3.993 4.170 0.002 0.000 0.240 525 I C 2.910 179.024 176.117 -0.006 0.000 1.081 525 I CA 1.975 63.248 61.300 -0.046 0.000 1.353 525 I CB -0.485 37.492 38.000 -0.039 0.000 1.054 525 I HN 0.252 nan 8.210 nan 0.000 0.407 526 R N 0.726 121.230 120.500 0.006 0.000 2.097 526 R HA -0.204 4.138 4.340 0.002 0.000 0.236 526 R C 2.353 178.713 176.300 0.099 0.000 1.135 526 R CA 1.696 57.819 56.100 0.037 0.000 0.934 526 R CB -0.188 30.123 30.300 0.020 0.000 0.846 526 R HN 0.254 nan 8.270 nan 0.000 0.431 527 E N 0.471 120.761 120.200 0.150 0.000 2.130 527 E HA -0.221 4.131 4.350 0.002 0.000 0.196 527 E C 1.915 178.765 176.600 0.417 0.000 0.998 527 E CA 0.906 57.492 56.400 0.310 0.000 0.806 527 E CB -0.280 29.655 29.700 0.392 0.000 0.738 527 E HN 0.155 nan 8.360 nan 0.000 0.459 528 L N 1.642 122.994 121.223 0.215 0.000 1.994 528 L HA -0.179 4.162 4.340 0.002 0.000 0.208 528 L C 2.012 178.957 176.870 0.124 0.000 1.071 528 L CA 1.857 56.610 54.840 -0.146 0.000 0.745 528 L CB -0.680 41.082 42.059 -0.496 0.000 0.892 528 L HN 0.098 nan 8.230 nan 0.000 0.431 529 E N -0.772 119.488 120.200 0.100 0.000 2.015 529 E HA -0.193 4.159 4.350 0.002 0.000 0.191 529 E C 1.879 178.556 176.600 0.129 0.000 0.991 529 E CA 1.377 57.848 56.400 0.119 0.000 0.802 529 E CB -0.199 29.539 29.700 0.063 0.000 0.759 529 E HN 0.595 nan 8.360 nan 0.000 0.447 530 E N 1.622 121.890 120.200 0.114 0.000 2.007 530 E HA -0.173 4.178 4.350 0.002 0.000 0.194 530 E C 1.968 178.614 176.600 0.078 0.000 0.999 530 E CA 0.968 57.418 56.400 0.083 0.000 0.811 530 E CB -0.305 29.437 29.700 0.069 0.000 0.762 530 E HN 0.176 nan 8.360 nan 0.000 0.450 531 K N -0.160 120.318 120.400 0.130 0.000 2.365 531 K HA -0.016 4.306 4.320 0.002 0.000 0.199 531 K C 1.329 177.845 176.600 -0.140 0.000 1.045 531 K CA 0.769 57.064 56.287 0.013 0.000 0.962 531 K CB 0.048 32.575 32.500 0.044 0.000 0.759 531 K HN 0.146 nan 8.250 nan 0.000 0.469 532 F N -0.209 119.781 119.950 0.068 0.000 2.798 532 F HA 0.246 4.775 4.527 0.002 0.000 0.328 532 F C 1.034 176.856 175.800 0.037 0.000 1.098 532 F CA -0.041 58.023 58.000 0.107 0.000 1.172 532 F CB 0.795 39.980 39.000 0.308 0.000 1.072 532 F HN 0.123 nan 8.300 nan 0.000 0.555 533 G N 1.262 110.155 108.800 0.155 0.000 2.305 533 G HA2 -0.335 3.627 3.960 0.002 0.000 0.287 533 G HA3 -0.335 3.627 3.960 0.002 0.000 0.287 533 G C -0.006 174.905 174.900 0.019 0.000 1.036 533 G CA -0.056 45.075 45.100 0.053 0.000 0.887 533 G HN 0.209 nan 8.290 nan 0.000 0.505 534 F N -0.365 119.605 119.950 0.033 0.000 2.378 534 F HA 0.673 5.201 4.527 0.002 0.000 0.325 534 F C 0.776 176.547 175.800 -0.048 0.000 1.097 534 F CA -0.554 57.434 58.000 -0.020 0.000 1.079 534 F CB 1.326 40.256 39.000 -0.116 0.000 1.240 534 F HN -0.158 nan 8.300 nan 0.000 0.519 535 K N 2.323 122.832 120.400 0.181 0.000 2.394 535 K HA 0.388 4.710 4.320 0.002 0.000 0.260 535 K C -1.522 175.033 176.600 -0.075 0.000 0.967 535 K CA -0.454 55.829 56.287 -0.006 0.000 0.855 535 K CB 1.374 33.809 32.500 -0.109 0.000 1.101 535 K HN 0.347 nan 8.250 nan 0.000 0.433 536 V N 7.191 127.040 119.914 -0.108 0.000 2.368 536 V HA 0.142 4.264 4.120 0.002 0.000 0.266 536 V C 1.357 177.302 176.094 -0.249 0.000 1.045 536 V CA -0.141 62.072 62.300 -0.145 0.000 0.899 536 V CB 0.766 32.531 31.823 -0.097 0.000 1.006 536 V HN 0.645 nan 8.190 nan 0.000 0.470 537 L N 4.776 125.780 121.223 -0.365 0.000 2.354 537 L HA 0.326 4.667 4.340 0.002 0.000 0.212 537 L C 0.260 176.802 176.870 -0.546 0.000 1.091 537 L CA 0.632 55.141 54.840 -0.551 0.000 0.828 537 L CB -0.068 41.517 42.059 -0.791 0.000 0.973 537 L HN 0.579 nan 8.230 nan 0.000 0.461 538 Y N 0.143 120.063 120.300 -0.632 0.000 2.519 538 Y HA 0.689 5.241 4.550 0.002 0.000 0.336 538 Y C -1.527 174.288 175.900 -0.142 0.000 1.089 538 Y CA -1.182 56.610 58.100 -0.514 0.000 1.025 538 Y CB 1.627 39.472 38.460 -1.024 0.000 1.318 538 Y HN -0.141 nan 8.280 nan 0.000 0.452 539 A N 4.302 126.726 122.820 -0.661 0.000 2.547 539 A HA 0.739 5.060 4.320 0.002 0.000 0.297 539 A C -1.977 175.397 177.584 -0.350 0.000 1.056 539 A CA -0.246 51.644 52.037 -0.246 0.000 0.688 539 A CB 1.474 20.583 19.000 0.182 0.000 1.282 539 A HN 0.796 nan 8.150 nan 0.000 0.400 540 D N -0.398 120.013 120.400 0.018 0.000 2.665 540 D HA 0.427 5.068 4.640 0.002 0.000 0.287 540 D C 0.771 177.334 176.300 0.437 0.000 1.266 540 D CA 0.282 54.358 54.000 0.126 0.000 0.830 540 D CB -0.224 40.590 40.800 0.024 0.000 1.356 540 D HN 0.290 nan 8.370 nan 0.000 0.437 541 T N -0.543 114.278 114.554 0.444 0.000 2.731 541 T HA -0.259 4.093 4.350 0.002 0.000 0.263 541 T C 0.830 175.918 174.700 0.647 0.000 1.033 541 T CA 2.190 64.641 62.100 0.584 0.000 1.160 541 T CB -0.469 68.611 68.868 0.354 0.000 0.849 541 T HN 0.528 nan 8.240 nan 0.000 0.469 542 D N 0.808 121.411 120.400 0.339 0.000 2.216 542 D HA 0.304 4.945 4.640 0.002 0.000 0.208 542 D C 1.316 177.369 176.300 -0.413 0.000 0.960 542 D CA 1.139 55.231 54.000 0.154 0.000 0.861 542 D CB 0.207 41.127 40.800 0.201 0.000 0.985 542 D HN 0.605 nan 8.370 nan 0.000 0.493 543 G N -0.107 108.266 108.800 -0.711 0.000 2.341 543 G HA2 0.433 4.394 3.960 0.002 0.000 0.299 543 G HA3 0.433 4.394 3.960 0.002 0.000 0.299 543 G C -2.040 172.440 174.900 -0.700 0.000 1.274 543 G CA -0.601 43.553 45.100 -1.577 0.000 0.853 543 G HN 0.130 nan 8.290 nan 0.000 0.493 544 L N -2.849 117.997 121.223 -0.628 0.000 2.350 544 L HA 0.940 5.281 4.340 0.002 0.000 0.260 544 L C -1.000 175.732 176.870 -0.229 0.000 1.015 544 L CA -1.318 53.414 54.840 -0.180 0.000 0.821 544 L CB 1.878 43.938 42.059 0.002 0.000 1.370 544 L HN 0.594 nan 8.230 nan 0.000 0.416 545 H N 0.619 119.737 119.070 0.080 0.000 2.539 545 H HA 0.923 5.480 4.556 0.002 0.000 0.332 545 H C -0.635 174.673 175.328 -0.033 0.000 1.031 545 H CA 0.066 56.198 56.048 0.141 0.000 1.206 545 H CB 1.863 31.727 29.762 0.171 0.000 1.446 545 H HN 1.078 nan 8.280 nan 0.000 0.496 546 A N 2.561 125.452 122.820 0.118 0.000 2.594 546 A HA 0.718 5.040 4.320 0.002 0.000 0.295 546 A C -0.820 176.920 177.584 0.261 0.000 1.071 546 A CA -0.646 51.431 52.037 0.068 0.000 0.685 546 A CB 2.081 21.045 19.000 -0.059 0.000 1.285 546 A HN 0.570 nan 8.150 nan 0.000 0.405 547 T N 0.433 115.172 114.554 0.308 0.000 2.883 547 T HA 0.594 4.946 4.350 0.002 0.000 0.301 547 T C -1.329 173.498 174.700 0.212 0.000 1.158 547 T CA -0.361 61.970 62.100 0.385 0.000 1.007 547 T CB 0.773 69.826 68.868 0.308 0.000 1.186 547 T HN 0.542 nan 8.240 nan 0.000 0.499 548 I N 4.578 125.112 120.570 -0.060 0.000 2.291 548 I HA 0.282 4.453 4.170 0.002 0.000 0.292 548 I C -2.055 174.067 176.117 0.009 0.000 1.064 548 I CA -2.156 58.992 61.300 -0.252 0.000 1.269 548 I CB 1.372 39.081 38.000 -0.485 0.000 1.418 548 I HN 0.451 nan 8.210 nan 0.000 0.485 549 P HA -0.025 nan 4.420 nan 0.000 0.261 549 P C 0.924 178.294 177.300 0.118 0.000 1.173 549 P CA 0.743 63.966 63.100 0.206 0.000 0.760 549 P CB 0.531 32.388 31.700 0.262 0.000 0.783 550 G N 1.405 110.280 108.800 0.125 0.000 2.184 550 G HA2 -0.215 3.746 3.960 0.002 0.000 0.264 550 G HA3 -0.215 3.746 3.960 0.002 0.000 0.264 550 G C 0.539 175.477 174.900 0.064 0.000 0.975 550 G CA 0.241 45.388 45.100 0.078 0.000 0.642 550 G HN 0.863 nan 8.290 nan 0.000 0.536 551 A N -0.061 122.799 122.820 0.065 0.000 2.257 551 A HA 0.715 5.037 4.320 0.002 0.000 0.290 551 A C 0.315 177.953 177.584 0.090 0.000 1.201 551 A CA 0.549 52.617 52.037 0.051 0.000 0.863 551 A CB 0.404 19.409 19.000 0.008 0.000 1.256 551 A HN 1.085 nan 8.150 nan 0.000 0.506 552 D N -2.841 117.611 120.400 0.085 0.000 2.340 552 D HA 0.585 5.227 4.640 0.002 0.000 0.243 552 D C 0.735 177.123 176.300 0.146 0.000 0.988 552 D CA -0.064 54.004 54.000 0.114 0.000 0.959 552 D CB 1.579 42.425 40.800 0.076 0.000 1.226 552 D HN 0.479 nan 8.370 nan 0.000 0.509 553 A N 0.494 123.427 122.820 0.187 0.000 1.873 553 A HA -0.314 4.008 4.320 0.002 0.000 0.218 553 A C 1.968 179.528 177.584 -0.039 0.000 1.193 553 A CA 2.099 54.230 52.037 0.156 0.000 0.629 553 A CB -1.191 17.884 19.000 0.125 0.000 0.826 553 A HN 0.855 nan 8.150 nan 0.000 0.447 554 E N -0.267 119.916 120.200 -0.027 0.000 2.097 554 E HA -0.253 4.098 4.350 0.002 0.000 0.196 554 E C 2.026 178.613 176.600 -0.023 0.000 1.000 554 E CA 2.414 58.787 56.400 -0.046 0.000 0.804 554 E CB -0.303 29.386 29.700 -0.018 0.000 0.740 554 E HN 0.750 nan 8.360 nan 0.000 0.454 555 T N -1.736 112.825 114.554 0.011 0.000 2.814 555 T HA -0.003 4.348 4.350 0.002 0.000 0.254 555 T C 2.161 176.885 174.700 0.040 0.000 1.037 555 T CA 0.978 63.089 62.100 0.017 0.000 1.143 555 T CB -0.653 68.221 68.868 0.010 0.000 0.866 555 T HN 0.035 nan 8.240 nan 0.000 0.431 556 V N 2.107 122.066 119.914 0.075 0.000 2.453 556 V HA -0.211 3.911 4.120 0.002 0.000 0.252 556 V C 2.783 179.023 176.094 0.242 0.000 1.068 556 V CA 1.895 64.287 62.300 0.153 0.000 1.070 556 V CB -0.700 31.298 31.823 0.291 0.000 0.664 556 V HN 0.521 nan 8.190 nan 0.000 0.461 557 K N -0.318 120.135 120.400 0.087 0.000 1.991 557 K HA -0.125 4.196 4.320 0.002 0.000 0.207 557 K C 2.377 178.946 176.600 -0.052 0.000 1.045 557 K CA 1.113 57.368 56.287 -0.054 0.000 0.937 557 K CB -0.278 32.096 32.500 -0.211 0.000 0.720 557 K HN 0.250 nan 8.250 nan 0.000 0.438 558 K N 1.554 121.940 120.400 -0.023 0.000 2.034 558 K HA -0.250 4.072 4.320 0.002 0.000 0.214 558 K C 2.111 178.756 176.600 0.076 0.000 1.051 558 K CA 1.828 58.117 56.287 0.003 0.000 0.931 558 K CB -0.069 32.438 32.500 0.012 0.000 0.715 558 K HN -0.020 nan 8.250 nan 0.000 0.446 559 K N -0.189 120.296 120.400 0.142 0.000 2.032 559 K HA -0.128 4.193 4.320 0.002 0.000 0.209 559 K C 1.978 178.824 176.600 0.409 0.000 1.048 559 K CA 1.480 57.939 56.287 0.287 0.000 0.927 559 K CB -0.223 32.402 32.500 0.208 0.000 0.712 559 K HN 0.239 nan 8.250 nan 0.000 0.441 560 A N 1.292 124.344 122.820 0.387 0.000 1.978 560 A HA -0.203 4.119 4.320 0.002 0.000 0.220 560 A C 1.767 179.337 177.584 -0.023 0.000 1.170 560 A CA 1.463 53.567 52.037 0.113 0.000 0.636 560 A CB -0.288 18.704 19.000 -0.013 0.000 0.810 560 A HN 0.091 nan 8.150 nan 0.000 0.448 561 K N 0.145 120.510 120.400 -0.059 0.000 1.978 561 K HA -0.174 4.148 4.320 0.002 0.000 0.214 561 K C 1.813 178.421 176.600 0.013 0.000 1.049 561 K CA 1.908 58.144 56.287 -0.085 0.000 0.939 561 K CB -0.733 31.718 32.500 -0.083 0.000 0.721 561 K HN 0.726 nan 8.250 nan 0.000 0.441 562 E N 0.122 120.379 120.200 0.096 0.000 2.130 562 E HA -0.211 4.140 4.350 0.002 0.000 0.196 562 E C 1.910 178.591 176.600 0.135 0.000 0.998 562 E CA 1.225 57.721 56.400 0.161 0.000 0.806 562 E CB -0.400 29.461 29.700 0.269 0.000 0.738 562 E HN 0.273 nan 8.360 nan 0.000 0.459 563 F N 1.284 121.128 119.950 -0.176 0.000 2.126 563 F HA -0.222 4.306 4.527 0.002 0.000 0.299 563 F C 1.869 177.525 175.800 -0.241 0.000 1.096 563 F CA 1.046 58.625 58.000 -0.701 0.000 1.255 563 F CB -0.045 38.319 39.000 -1.059 0.000 0.997 563 F HN -0.053 nan 8.300 nan 0.000 0.479 564 L N 1.056 122.195 121.223 -0.141 0.000 2.017 564 L HA -0.195 4.146 4.340 0.002 0.000 0.208 564 L C 2.392 179.149 176.870 -0.189 0.000 1.073 564 L CA 1.757 56.497 54.840 -0.166 0.000 0.745 564 L CB -1.022 41.023 42.059 -0.024 0.000 0.894 564 L HN 0.090 nan 8.230 nan 0.000 0.432 565 K N -1.520 118.825 120.400 -0.092 0.000 2.097 565 K HA -0.246 4.076 4.320 0.002 0.000 0.206 565 K C 2.196 178.751 176.600 -0.074 0.000 1.049 565 K CA 1.782 58.034 56.287 -0.059 0.000 0.933 565 K CB -0.675 31.826 32.500 0.001 0.000 0.717 565 K HN 0.325 nan 8.250 nan 0.000 0.442 566 Y N 1.698 121.885 120.300 -0.189 0.000 2.109 566 Y HA -0.181 4.370 4.550 0.002 0.000 0.285 566 Y C 2.163 177.892 175.900 -0.284 0.000 1.131 566 Y CA 1.217 59.215 58.100 -0.169 0.000 1.121 566 Y CB -0.403 38.022 38.460 -0.058 0.000 0.987 566 Y HN -0.095 nan 8.280 nan 0.000 0.495 567 I N 0.914 121.061 120.570 -0.703 0.000 2.830 567 I HA -0.174 3.998 4.170 0.002 0.000 0.263 567 I C 0.538 176.387 176.117 -0.448 0.000 1.230 567 I CA 0.536 61.368 61.300 -0.780 0.000 1.480 567 I CB -0.543 36.901 38.000 -0.927 0.000 1.095 567 I HN 0.248 nan 8.210 nan 0.000 0.455 576 E N 2.895 123.019 120.200 -0.126 0.000 2.214 576 E HA 0.744 5.095 4.350 0.002 0.000 0.274 576 E C -1.462 175.095 176.600 -0.072 0.000 0.977 576 E CA -0.832 55.514 56.400 -0.090 0.000 0.827 576 E CB 1.564 31.220 29.700 -0.073 0.000 1.130 576 E HN 0.752 nan 8.360 nan 0.000 0.394 577 L N 3.524 124.723 121.223 -0.039 0.000 2.296 577 L HA 0.403 4.745 4.340 0.002 0.000 0.286 577 L C -0.469 176.403 176.870 0.004 0.000 1.023 577 L CA -0.536 54.304 54.840 -0.000 0.000 0.812 577 L CB 1.652 43.743 42.059 0.053 0.000 1.223 577 L HN 0.735 nan 8.230 nan 0.000 0.421 578 E N 1.924 122.121 120.200 -0.006 0.000 2.179 578 E HA 0.184 4.536 4.350 0.002 0.000 0.275 578 E C -1.235 175.382 176.600 0.028 0.000 0.945 578 E CA -0.593 55.815 56.400 0.013 0.000 0.792 578 E CB 2.000 31.695 29.700 -0.009 0.000 1.125 578 E HN 0.311 nan 8.360 nan 0.000 0.397 579 Y N 2.528 122.796 120.300 -0.054 0.000 2.556 579 Y HA 0.216 4.767 4.550 0.002 0.000 0.352 579 Y C -0.334 175.556 175.900 -0.016 0.000 1.006 579 Y CA -0.415 57.654 58.100 -0.050 0.000 1.277 579 Y CB 0.473 38.921 38.460 -0.021 0.000 1.136 579 Y HN 0.476 nan 8.280 nan 0.000 0.523 580 E N 4.177 124.228 120.200 -0.248 0.000 3.351 580 E HA 0.524 4.876 4.350 0.002 0.000 0.220 580 E C -0.564 175.947 176.600 -0.148 0.000 1.150 580 E CA 0.072 56.367 56.400 -0.175 0.000 1.359 580 E CB 0.066 29.785 29.700 0.032 0.000 1.365 580 E HN 0.901 nan 8.360 nan 0.000 0.434 581 G N 0.854 109.341 108.800 -0.522 0.000 2.397 581 G HA2 0.134 4.095 3.960 0.002 0.000 0.453 581 G HA3 0.134 4.095 3.960 0.002 0.000 0.453 581 G C -1.853 172.800 174.900 -0.411 0.000 1.579 581 G CA -1.105 43.736 45.100 -0.433 0.000 0.906 581 G HN 0.110 nan 8.290 nan 0.000 0.675 582 F N 2.648 122.236 119.950 -0.603 0.000 2.539 582 F HA 0.789 5.318 4.527 0.002 0.000 0.318 582 F C -1.383 174.155 175.800 -0.437 0.000 1.135 582 F CA -1.356 56.462 58.000 -0.304 0.000 0.915 582 F CB 1.526 40.529 39.000 0.004 0.000 1.176 582 F HN 0.486 nan 8.300 nan 0.000 0.440 583 Y N 5.471 125.428 120.300 -0.571 0.000 2.328 583 Y HA 0.360 4.912 4.550 0.002 0.000 0.336 583 Y C 0.708 176.277 175.900 -0.552 0.000 0.960 583 Y CA -0.987 56.877 58.100 -0.392 0.000 1.134 583 Y CB 1.521 39.894 38.460 -0.145 0.000 1.166 583 Y HN 0.418 nan 8.280 nan 0.000 0.464 584 V N 3.501 123.321 119.914 -0.157 0.000 2.688 584 V HA -0.171 3.950 4.120 0.002 0.000 0.256 584 V C 0.995 177.108 176.094 0.032 0.000 1.084 584 V CA 1.892 64.176 62.300 -0.028 0.000 1.103 584 V CB -0.552 31.325 31.823 0.089 0.000 0.688 584 V HN 0.741 nan 8.190 nan 0.000 0.480 585 R N -2.733 117.798 120.500 0.052 0.000 2.756 585 R HA 0.574 4.915 4.340 0.002 0.000 0.273 585 R C -0.609 175.727 176.300 0.059 0.000 1.030 585 R CA -0.046 56.112 56.100 0.096 0.000 0.887 585 R CB 1.972 32.328 30.300 0.094 0.000 1.274 585 R HN 0.229 nan 8.270 nan 0.000 0.461 586 G N 0.426 109.285 108.800 0.098 0.000 2.328 586 G HA2 0.437 4.398 3.960 0.002 0.000 0.299 586 G HA3 0.437 4.398 3.960 0.002 0.000 0.299 586 G C -1.979 172.941 174.900 0.033 0.000 1.435 586 G CA -0.811 44.221 45.100 -0.114 0.000 0.865 586 G HN 0.515 nan 8.290 nan 0.000 0.601 587 F N -1.404 118.265 119.950 -0.468 0.000 2.650 587 F HA 0.811 5.340 4.527 0.002 0.000 0.310 587 F C -2.046 173.383 175.800 -0.617 0.000 1.112 587 F CA -2.064 55.760 58.000 -0.295 0.000 0.986 587 F CB 1.182 40.154 39.000 -0.048 0.000 1.285 587 F HN 0.416 nan 8.300 nan 0.000 0.440 588 F N 2.522 122.520 119.950 0.079 0.000 2.449 588 F HA 0.615 5.143 4.527 0.002 0.000 0.342 588 F C 0.485 176.349 175.800 0.107 0.000 1.127 588 F CA -1.159 56.815 58.000 -0.043 0.000 0.975 588 F CB 1.482 40.361 39.000 -0.202 0.000 1.146 588 F HN 0.434 nan 8.300 nan 0.000 0.444 589 V N 0.807 120.868 119.914 0.244 0.000 2.407 589 V HA 0.039 4.161 4.120 0.002 0.000 0.245 589 V C 0.729 176.936 176.094 0.188 0.000 1.041 589 V CA 1.481 63.908 62.300 0.213 0.000 1.040 589 V CB -0.323 31.608 31.823 0.181 0.000 0.671 589 V HN 0.922 nan 8.190 nan 0.000 0.455 590 T N -2.811 111.867 114.554 0.207 0.000 2.663 590 T HA 0.231 4.583 4.350 0.002 0.000 0.305 590 T C 0.257 175.125 174.700 0.281 0.000 1.660 590 T CA -0.722 61.499 62.100 0.201 0.000 0.976 590 T CB 1.599 70.552 68.868 0.141 0.000 1.705 590 T HN -0.103 nan 8.240 nan 0.000 0.494 591 K N 0.564 121.111 120.400 0.244 0.000 2.265 591 K HA -0.216 4.106 4.320 0.002 0.000 0.210 591 K C 1.325 178.189 176.600 0.441 0.000 1.036 591 K CA 1.919 58.369 56.287 0.271 0.000 0.934 591 K CB 0.033 32.608 32.500 0.125 0.000 0.765 591 K HN 0.196 nan 8.250 nan 0.000 0.485 592 K N -0.886 119.726 120.400 0.353 0.000 2.554 592 K HA 0.141 4.462 4.320 0.002 0.000 0.211 592 K C -0.627 176.150 176.600 0.295 0.000 1.226 592 K CA 0.126 56.639 56.287 0.375 0.000 1.025 592 K CB 1.123 33.763 32.500 0.233 0.000 1.021 592 K HN 0.065 nan 8.250 nan 0.000 0.600 593 K N 1.179 121.713 120.400 0.223 0.000 2.183 593 K HA 0.414 4.735 4.320 0.002 0.000 0.274 593 K C -0.547 176.120 176.600 0.111 0.000 1.009 593 K CA -0.668 55.666 56.287 0.078 0.000 0.888 593 K CB 0.861 33.403 32.500 0.069 0.000 1.078 593 K HN -0.036 nan 8.250 nan 0.000 0.459 594 Y N -1.380 118.722 120.300 -0.330 0.000 2.932 594 Y HA 0.558 5.109 4.550 0.002 0.000 0.384 594 Y C -2.263 173.164 175.900 -0.789 0.000 1.193 594 Y CA -1.602 56.113 58.100 -0.642 0.000 1.161 594 Y CB 0.581 38.586 38.460 -0.758 0.000 1.500 594 Y HN 0.580 nan 8.280 nan 0.000 0.463 595 A N 1.142 123.346 122.820 -1.027 0.000 2.517 595 A HA 0.814 5.136 4.320 0.002 0.000 0.297 595 A C -1.443 175.652 177.584 -0.814 0.000 1.050 595 A CA -0.212 51.286 52.037 -0.898 0.000 0.694 595 A CB 1.194 19.694 19.000 -0.834 0.000 1.277 595 A HN 2.150 nan 8.150 nan 0.000 0.400 596 V N 0.205 119.758 119.914 -0.601 0.000 3.040 596 V HA 0.931 5.052 4.120 0.002 0.000 0.312 596 V C -0.595 175.320 176.094 -0.299 0.000 1.115 596 V CA -0.779 61.192 62.300 -0.548 0.000 0.998 596 V CB 1.634 32.844 31.823 -1.021 0.000 1.042 596 V HN 1.484 nan 8.190 nan 0.000 0.433 597 I N 2.284 122.787 120.570 -0.111 0.000 2.689 597 I HA 0.767 4.938 4.170 0.002 0.000 0.299 597 I C -0.809 175.409 176.117 0.168 0.000 1.059 597 I CA -0.211 61.095 61.300 0.010 0.000 1.055 597 I CB 2.000 39.994 38.000 -0.010 0.000 1.243 597 I HN 1.081 nan 8.210 nan 0.000 0.425 598 D N 3.952 124.453 120.400 0.169 0.000 2.588 598 D HA 0.256 4.898 4.640 0.002 0.000 0.268 598 D C 0.558 176.926 176.300 0.113 0.000 1.176 598 D CA -0.181 53.919 54.000 0.167 0.000 1.080 598 D CB 0.737 41.622 40.800 0.141 0.000 1.186 598 D HN 0.574 nan 8.370 nan 0.000 0.619 599 E N -0.296 119.983 120.200 0.132 0.000 2.049 599 E HA -0.203 4.149 4.350 0.002 0.000 0.198 599 E C 1.672 178.321 176.600 0.081 0.000 1.007 599 E CA 1.946 58.426 56.400 0.133 0.000 0.809 599 E CB -0.154 29.633 29.700 0.144 0.000 0.749 599 E HN 0.600 nan 8.360 nan 0.000 0.450 600 E N -1.529 118.707 120.200 0.060 0.000 2.418 600 E HA 0.062 4.413 4.350 0.002 0.000 0.197 600 E C 1.286 177.903 176.600 0.028 0.000 1.026 600 E CA 0.625 57.048 56.400 0.038 0.000 0.862 600 E CB 0.135 29.850 29.700 0.025 0.000 0.799 600 E HN 0.369 nan 8.360 nan 0.000 0.518 601 G N 1.252 110.071 108.800 0.032 0.000 2.232 601 G HA2 -0.308 3.654 3.960 0.002 0.000 0.226 601 G HA3 -0.308 3.654 3.960 0.002 0.000 0.226 601 G C 0.017 174.917 174.900 -0.001 0.000 0.996 601 G CA -0.145 44.961 45.100 0.010 0.000 0.626 601 G HN 0.215 nan 8.290 nan 0.000 0.509 602 K N 1.218 121.624 120.400 0.009 0.000 2.255 602 K HA 0.276 4.597 4.320 0.002 0.000 0.269 602 K C 0.575 177.166 176.600 -0.015 0.000 1.158 602 K CA 0.050 56.334 56.287 -0.004 0.000 1.155 602 K CB 0.227 32.731 32.500 0.007 0.000 0.889 602 K HN 0.357 nan 8.250 nan 0.000 0.440 603 I N 1.880 122.420 120.570 -0.051 0.000 3.060 603 I HA -0.028 4.144 4.170 0.002 0.000 0.285 603 I C 0.709 176.752 176.117 -0.124 0.000 1.190 603 I CA 0.736 61.982 61.300 -0.091 0.000 1.363 603 I CB 0.755 38.693 38.000 -0.104 0.000 1.396 603 I HN 0.539 nan 8.210 nan 0.000 0.607 604 T N 1.290 115.726 114.554 -0.197 0.000 2.932 604 T HA 0.646 4.997 4.350 0.002 0.000 0.318 604 T C -0.532 173.949 174.700 -0.366 0.000 1.265 604 T CA -0.888 61.068 62.100 -0.241 0.000 1.036 604 T CB 1.803 70.541 68.868 -0.217 0.000 1.209 604 T HN 0.831 nan 8.240 nan 0.000 0.484 605 T N 0.385 114.699 114.554 -0.400 0.000 2.787 605 T HA 0.814 5.165 4.350 0.002 0.000 0.297 605 T C -1.808 172.534 174.700 -0.596 0.000 1.221 605 T CA -0.907 60.870 62.100 -0.539 0.000 1.006 605 T CB 2.226 70.865 68.868 -0.381 0.000 1.328 605 T HN 0.707 nan 8.240 nan 0.000 0.509 606 R N -0.217 119.869 120.500 -0.691 0.000 2.522 606 R HA 0.541 4.883 4.340 0.002 0.000 0.273 606 R C 0.467 176.574 176.300 -0.321 0.000 1.133 606 R CA 0.393 56.173 56.100 -0.533 0.000 0.969 606 R CB 1.249 31.081 30.300 -0.780 0.000 1.235 606 R HN 1.475 nan 8.270 nan 0.000 0.433 607 G N 3.355 112.058 108.800 -0.162 0.000 2.341 607 G HA2 -0.278 3.684 3.960 0.002 0.000 0.292 607 G HA3 -0.278 3.684 3.960 0.002 0.000 0.292 607 G C 0.380 175.248 174.900 -0.054 0.000 1.021 607 G CA 0.580 45.640 45.100 -0.067 0.000 0.905 607 G HN 0.553 nan 8.290 nan 0.000 0.508 608 L N -0.697 120.471 121.223 -0.091 0.000 2.558 608 L HA 0.256 4.597 4.340 0.002 0.000 0.225 608 L C 1.268 178.129 176.870 -0.015 0.000 1.128 608 L CA 0.986 55.793 54.840 -0.055 0.000 0.868 608 L CB -0.178 41.822 42.059 -0.099 0.000 1.006 608 L HN 0.680 nan 8.230 nan 0.000 0.454 609 E N -0.132 120.073 120.200 0.008 0.000 2.437 609 E HA 0.274 4.625 4.350 0.002 0.000 0.280 609 E C -0.909 175.804 176.600 0.187 0.000 1.044 609 E CA -0.857 55.596 56.400 0.090 0.000 0.826 609 E CB 1.377 31.067 29.700 -0.016 0.000 1.358 609 E HN -0.161 nan 8.360 nan 0.000 0.459 610 I N 0.661 121.416 120.570 0.308 0.000 2.836 610 I HA 0.100 4.272 4.170 0.002 0.000 0.285 610 I C 0.731 177.018 176.117 0.283 0.000 1.174 610 I CA -0.583 60.855 61.300 0.231 0.000 1.405 610 I CB 0.440 38.521 38.000 0.135 0.000 1.385 610 I HN 0.365 nan 8.210 nan 0.000 0.594 611 V N 3.998 124.002 119.914 0.149 0.000 2.389 611 V HA 0.713 4.834 4.120 0.002 0.000 0.264 611 V C -0.001 176.121 176.094 0.047 0.000 1.049 611 V CA -0.541 61.842 62.300 0.139 0.000 0.932 611 V CB -0.288 31.589 31.823 0.090 0.000 1.011 611 V HN 0.955 nan 8.190 nan 0.000 0.475 612 R N 3.600 124.117 120.500 0.028 0.000 2.716 612 R HA 0.637 4.978 4.340 0.002 0.000 0.271 612 R C -0.441 175.815 176.300 -0.073 0.000 1.028 612 R CA -1.093 54.924 56.100 -0.138 0.000 0.883 612 R CB 1.623 31.668 30.300 -0.424 0.000 1.250 612 R HN 0.540 nan 8.270 nan 0.000 0.465 613 R N -0.109 120.362 120.500 -0.048 0.000 2.509 613 R HA 0.171 4.513 4.340 0.002 0.000 0.300 613 R C -0.720 175.601 176.300 0.035 0.000 0.985 613 R CA -0.240 55.891 56.100 0.053 0.000 1.092 613 R CB 0.216 30.571 30.300 0.091 0.000 1.237 613 R HN 0.625 nan 8.270 nan 0.000 0.546 614 D N 0.367 120.706 120.400 -0.102 0.000 3.018 614 D HA 0.043 4.684 4.640 0.002 0.000 0.331 614 D C -0.978 175.227 176.300 -0.158 0.000 1.334 614 D CA -0.456 53.507 54.000 -0.063 0.000 0.900 614 D CB -0.259 40.566 40.800 0.042 0.000 1.059 614 D HN 0.121 nan 8.370 nan 0.000 0.498 615 W N 1.756 123.043 121.300 -0.021 0.000 2.338 615 W HA 0.267 4.928 4.660 0.002 0.000 0.307 615 W C 1.108 177.584 176.519 -0.071 0.000 1.167 615 W CA -0.843 56.474 57.345 -0.046 0.000 1.208 615 W CB 1.384 30.829 29.460 -0.025 0.000 1.228 615 W HN 0.022 nan 8.180 nan 0.000 0.499 616 S N 1.575 117.383 115.700 0.180 0.000 2.585 616 S HA 0.016 4.488 4.470 0.002 0.000 0.273 616 S C 1.092 175.760 174.600 0.113 0.000 1.339 616 S CA -0.381 57.868 58.200 0.082 0.000 1.028 616 S CB 1.545 64.816 63.200 0.117 0.000 0.906 616 S HN 0.581 nan 8.310 nan 0.000 0.528 617 E N 0.574 120.815 120.200 0.068 0.000 2.171 617 E HA -0.117 4.234 4.350 0.002 0.000 0.197 617 E C 1.395 178.034 176.600 0.065 0.000 0.997 617 E CA 1.060 57.509 56.400 0.081 0.000 0.810 617 E CB -0.360 29.390 29.700 0.082 0.000 0.738 617 E HN 0.740 nan 8.360 nan 0.000 0.467 618 I N -0.095 120.525 120.570 0.084 0.000 2.277 618 I HA -0.052 4.119 4.170 0.002 0.000 0.243 618 I C 1.968 178.115 176.117 0.051 0.000 1.094 618 I CA 1.382 62.723 61.300 0.067 0.000 1.393 618 I CB -0.838 37.219 38.000 0.095 0.000 1.078 618 I HN 0.071 nan 8.210 nan 0.000 0.417 619 A N 0.280 123.152 122.820 0.086 0.000 1.986 619 A HA -0.276 4.046 4.320 0.002 0.000 0.220 619 A C 2.290 179.831 177.584 -0.072 0.000 1.171 619 A CA 2.143 54.210 52.037 0.051 0.000 0.640 619 A CB -0.632 18.486 19.000 0.197 0.000 0.811 619 A HN 0.508 nan 8.150 nan 0.000 0.451 620 K N -0.660 119.707 120.400 -0.056 0.000 2.021 620 K HA -0.049 4.272 4.320 0.002 0.000 0.205 620 K C 1.882 178.425 176.600 -0.095 0.000 1.047 620 K CA 1.164 57.375 56.287 -0.127 0.000 0.943 620 K CB -0.136 32.324 32.500 -0.066 0.000 0.725 620 K HN 0.288 nan 8.250 nan 0.000 0.439 621 E N 0.548 120.722 120.200 -0.044 0.000 2.204 621 E HA -0.128 4.224 4.350 0.002 0.000 0.195 621 E C 2.000 178.573 176.600 -0.045 0.000 0.990 621 E CA 1.144 57.522 56.400 -0.036 0.000 0.821 621 E CB -0.415 29.278 29.700 -0.013 0.000 0.750 621 E HN 0.227 nan 8.360 nan 0.000 0.477 622 T N 1.040 115.566 114.554 -0.047 0.000 2.770 622 T HA -0.134 4.218 4.350 0.002 0.000 0.263 622 T C 1.860 176.516 174.700 -0.073 0.000 1.039 622 T CA 1.124 63.194 62.100 -0.050 0.000 1.142 622 T CB -0.019 68.827 68.868 -0.037 0.000 0.868 622 T HN 0.175 nan 8.240 nan 0.000 0.435 623 Q N 0.317 120.055 119.800 -0.103 0.000 2.014 623 Q HA -0.158 4.183 4.340 0.002 0.000 0.207 623 Q C 2.570 178.510 176.000 -0.100 0.000 0.993 623 Q CA 1.770 57.501 55.803 -0.121 0.000 0.850 623 Q CB -0.368 28.256 28.738 -0.190 0.000 0.916 623 Q HN 0.537 nan 8.270 nan 0.000 0.417 624 A N 0.603 123.363 122.820 -0.100 0.000 2.032 624 A HA -0.245 4.076 4.320 0.002 0.000 0.221 624 A C 1.993 179.539 177.584 -0.063 0.000 1.165 624 A CA 1.789 53.776 52.037 -0.083 0.000 0.645 624 A CB -0.483 18.472 19.000 -0.076 0.000 0.807 624 A HN 0.306 nan 8.150 nan 0.000 0.453 625 R N -1.234 119.232 120.500 -0.057 0.000 2.093 625 R HA 0.045 4.386 4.340 0.002 0.000 0.224 625 R C 2.008 178.276 176.300 -0.053 0.000 1.101 625 R CA 1.103 57.177 56.100 -0.044 0.000 0.979 625 R CB -0.229 30.048 30.300 -0.039 0.000 0.877 625 R HN 0.327 nan 8.270 nan 0.000 0.441 626 V N 0.917 120.788 119.914 -0.072 0.000 2.270 626 V HA -0.222 3.899 4.120 0.002 0.000 0.245 626 V C 2.043 178.081 176.094 -0.093 0.000 1.043 626 V CA 1.640 63.883 62.300 -0.094 0.000 1.014 626 V CB -0.259 31.505 31.823 -0.099 0.000 0.645 626 V HN 0.321 nan 8.190 nan 0.000 0.447 627 L N -0.070 121.116 121.223 -0.062 0.000 2.456 627 L HA -0.085 4.256 4.340 0.002 0.000 0.224 627 L C 2.428 179.271 176.870 -0.044 0.000 1.148 627 L CA 1.060 55.886 54.840 -0.024 0.000 0.825 627 L CB -0.253 41.801 42.059 -0.009 0.000 0.937 627 L HN 0.384 nan 8.230 nan 0.000 0.450 628 E N -0.100 120.063 120.200 -0.062 0.000 2.340 628 E HA -0.028 4.323 4.350 0.002 0.000 0.194 628 E C 1.985 178.525 176.600 -0.100 0.000 0.996 628 E CA 0.800 57.148 56.400 -0.086 0.000 0.869 628 E CB 0.435 30.098 29.700 -0.061 0.000 0.835 628 E HN 0.414 nan 8.360 nan 0.000 0.493 629 A N 1.027 123.830 122.820 -0.027 0.000 1.935 629 A HA 0.017 4.339 4.320 0.002 0.000 0.214 629 A C 2.152 179.724 177.584 -0.020 0.000 1.178 629 A CA 0.509 52.582 52.037 0.060 0.000 0.640 629 A CB -0.298 18.706 19.000 0.007 0.000 0.825 629 A HN 0.200 nan 8.150 nan 0.000 0.447 630 I N -0.762 119.744 120.570 -0.106 0.000 2.162 630 I HA -0.168 4.004 4.170 0.002 0.000 0.238 630 I C 2.075 178.169 176.117 -0.038 0.000 1.076 630 I CA 0.932 62.144 61.300 -0.146 0.000 1.353 630 I CB -0.414 37.413 38.000 -0.290 0.000 1.063 630 I HN 0.178 nan 8.210 nan 0.000 0.408 631 L N 0.499 121.716 121.223 -0.009 0.000 2.179 631 L HA -0.061 4.281 4.340 0.002 0.000 0.208 631 L C 2.247 179.073 176.870 -0.073 0.000 1.096 631 L CA 1.659 56.503 54.840 0.007 0.000 0.779 631 L CB -0.823 41.242 42.059 0.011 0.000 0.922 631 L HN 0.143 nan 8.230 nan 0.000 0.443 632 K N -2.078 118.199 120.400 -0.206 0.000 2.361 632 K HA 0.055 4.377 4.320 0.002 0.000 0.194 632 K C 0.901 177.185 176.600 -0.527 0.000 1.032 632 K CA 0.355 56.406 56.287 -0.394 0.000 1.048 632 K CB 0.328 32.483 32.500 -0.576 0.000 0.842 632 K HN 0.328 nan 8.250 nan 0.000 0.526 633 H N -2.141 116.926 119.070 -0.005 0.000 3.680 633 H HA 0.178 4.736 4.556 0.002 0.000 0.260 633 H C 0.721 176.039 175.328 -0.017 0.000 1.183 633 H CA 0.514 56.556 56.048 -0.011 0.000 1.159 633 H CB 1.200 30.946 29.762 -0.026 0.000 1.567 633 H HN 0.251 nan 8.280 nan 0.000 0.648 634 G N 1.942 110.776 108.800 0.056 0.000 2.321 634 G HA2 -0.260 3.702 3.960 0.002 0.000 0.287 634 G HA3 -0.260 3.702 3.960 0.002 0.000 0.287 634 G C -0.274 174.627 174.900 0.001 0.000 1.018 634 G CA 0.831 45.947 45.100 0.027 0.000 0.855 634 G HN 0.391 nan 8.290 nan 0.000 0.507 635 D N -0.182 120.210 120.400 -0.013 0.000 2.460 635 D HA 0.437 5.078 4.640 0.002 0.000 0.232 635 D C 1.569 177.789 176.300 -0.133 0.000 1.079 635 D CA -0.275 53.699 54.000 -0.044 0.000 0.864 635 D CB 1.396 42.189 40.800 -0.010 0.000 1.048 635 D HN 0.008 nan 8.370 nan 0.000 0.523 636 V N 3.561 123.377 119.914 -0.163 0.000 2.346 636 V HA -0.176 3.945 4.120 0.002 0.000 0.244 636 V C 1.958 177.943 176.094 -0.182 0.000 1.037 636 V CA 1.144 63.291 62.300 -0.255 0.000 1.029 636 V CB -0.365 31.355 31.823 -0.172 0.000 0.663 636 V HN 0.379 nan 8.190 nan 0.000 0.454 637 E N 0.683 120.824 120.200 -0.099 0.000 2.097 637 E HA -0.247 4.105 4.350 0.002 0.000 0.196 637 E C 2.033 178.554 176.600 -0.132 0.000 1.000 637 E CA 1.482 57.818 56.400 -0.106 0.000 0.804 637 E CB -0.433 29.236 29.700 -0.053 0.000 0.740 637 E HN 0.610 nan 8.360 nan 0.000 0.454 638 E N 1.044 121.178 120.200 -0.110 0.000 2.013 638 E HA -0.189 4.162 4.350 0.002 0.000 0.202 638 E C 2.006 178.534 176.600 -0.121 0.000 1.018 638 E CA 1.872 58.213 56.400 -0.098 0.000 0.834 638 E CB -0.825 28.833 29.700 -0.071 0.000 0.770 638 E HN 0.192 nan 8.360 nan 0.000 0.459 639 A N 0.133 122.865 122.820 -0.147 0.000 1.986 639 A HA -0.159 4.163 4.320 0.002 0.000 0.220 639 A C 2.535 180.001 177.584 -0.197 0.000 1.171 639 A CA 1.894 53.832 52.037 -0.165 0.000 0.640 639 A CB -0.631 18.244 19.000 -0.209 0.000 0.811 639 A HN 0.215 nan 8.150 nan 0.000 0.451 640 V N 0.484 120.243 119.914 -0.258 0.000 2.591 640 V HA -0.190 3.932 4.120 0.002 0.000 0.249 640 V C 2.482 178.446 176.094 -0.217 0.000 1.053 640 V CA 1.971 64.078 62.300 -0.322 0.000 1.068 640 V CB -0.840 30.655 31.823 -0.546 0.000 0.689 640 V HN 0.820 nan 8.190 nan 0.000 0.462 641 R N 0.573 120.974 120.500 -0.164 0.000 2.276 641 R HA 0.130 4.471 4.340 0.002 0.000 0.203 641 R C 1.723 177.968 176.300 -0.091 0.000 1.017 641 R CA 1.270 57.301 56.100 -0.114 0.000 1.010 641 R CB -0.816 29.429 30.300 -0.090 0.000 0.900 641 R HN 0.413 nan 8.270 nan 0.000 0.469 642 I N -0.019 120.492 120.570 -0.098 0.000 2.584 642 I HA -0.106 4.065 4.170 0.002 0.000 0.255 642 I C 1.582 177.656 176.117 -0.071 0.000 1.145 642 I CA 0.487 61.741 61.300 -0.076 0.000 1.462 642 I CB 0.166 38.120 38.000 -0.076 0.000 1.102 642 I HN 0.027 nan 8.210 nan 0.000 0.433 643 V N 0.717 120.577 119.914 -0.090 0.000 2.255 643 V HA -0.241 3.881 4.120 0.002 0.000 0.243 643 V C 2.401 178.459 176.094 -0.060 0.000 1.038 643 V CA 1.587 63.842 62.300 -0.075 0.000 1.008 643 V CB -0.653 31.113 31.823 -0.096 0.000 0.645 643 V HN 0.305 nan 8.190 nan 0.000 0.449 644 K N 0.466 120.821 120.400 -0.074 0.000 2.052 644 K HA -0.326 3.995 4.320 0.002 0.000 0.215 644 K C 2.144 178.721 176.600 -0.037 0.000 1.053 644 K CA 2.526 58.779 56.287 -0.056 0.000 0.934 644 K CB -0.360 32.100 32.500 -0.066 0.000 0.717 644 K HN 0.806 nan 8.250 nan 0.000 0.450 645 E N 0.505 120.682 120.200 -0.039 0.000 2.072 645 E HA -0.102 4.250 4.350 0.002 0.000 0.191 645 E C 1.698 178.286 176.600 -0.020 0.000 0.985 645 E CA 0.968 57.351 56.400 -0.028 0.000 0.801 645 E CB -0.495 29.187 29.700 -0.030 0.000 0.750 645 E HN -0.041 nan 8.360 nan 0.000 0.452 646 V N 0.364 120.264 119.914 -0.023 0.000 3.444 646 V HA -0.012 4.109 4.120 0.002 0.000 0.271 646 V C 0.866 176.958 176.094 -0.002 0.000 1.188 646 V CA 1.350 63.642 62.300 -0.013 0.000 1.168 646 V CB -0.648 31.165 31.823 -0.017 0.000 0.810 646 V HN 0.457 nan 8.190 nan 0.000 0.500 661 V N 1.139 120.975 119.914 -0.130 0.000 3.170 661 V HA 0.307 4.429 4.120 0.002 0.000 0.309 661 V C 0.185 176.021 176.094 -0.429 0.000 1.071 661 V CA -0.263 61.847 62.300 -0.317 0.000 1.063 661 V CB 1.820 33.344 31.823 -0.499 0.000 1.123 661 V HN 0.048 nan 8.190 nan 0.000 0.464 662 I N 1.648 121.825 120.570 -0.654 0.000 2.466 662 I HA 0.296 4.467 4.170 0.002 0.000 0.279 662 I C -0.289 175.426 176.117 -0.669 0.000 1.033 662 I CA -0.390 60.520 61.300 -0.650 0.000 1.123 662 I CB 0.860 38.336 38.000 -0.874 0.000 1.237 662 I HN 0.665 nan 8.210 nan 0.000 0.460 663 H N 4.893 123.867 119.070 -0.160 0.000 2.794 663 H HA 0.095 4.652 4.556 0.002 0.000 0.256 663 H C 0.425 175.746 175.328 -0.011 0.000 1.637 663 H CA -0.157 55.846 56.048 -0.075 0.000 1.222 663 H CB -0.343 29.397 29.762 -0.036 0.000 1.545 663 H HN 0.614 nan 8.280 nan 0.000 0.518 664 E N 1.680 121.912 120.200 0.054 0.000 2.502 664 E HA -0.069 4.282 4.350 0.002 0.000 0.261 664 E C -0.097 176.585 176.600 0.137 0.000 0.974 664 E CA 0.045 56.522 56.400 0.129 0.000 0.936 664 E CB 0.744 30.575 29.700 0.219 0.000 0.926 664 E HN 0.346 nan 8.360 nan 0.000 0.459 665 Q N 3.043 122.918 119.800 0.124 0.000 2.214 665 Q HA 0.413 4.754 4.340 0.002 0.000 0.251 665 Q C -0.289 175.773 176.000 0.105 0.000 0.936 665 Q CA -0.567 55.299 55.803 0.105 0.000 0.894 665 Q CB 1.224 30.019 28.738 0.094 0.000 1.252 665 Q HN 0.590 nan 8.270 nan 0.000 0.448 676 T N -2.231 112.251 114.554 -0.121 0.000 2.788 676 T HA 0.499 4.850 4.350 0.002 0.000 0.287 676 T C 1.696 176.373 174.700 -0.039 0.000 1.007 676 T CA 0.818 62.842 62.100 -0.127 0.000 1.005 676 T CB 1.097 69.794 68.868 -0.285 0.000 1.012 676 T HN 1.185 nan 8.240 nan 0.000 0.530 677 G N 1.864 110.641 108.800 -0.038 0.000 2.628 677 G HA2 -0.131 3.831 3.960 0.002 0.000 0.217 677 G HA3 -0.131 3.831 3.960 0.002 0.000 0.217 677 G C -0.564 174.307 174.900 -0.048 0.000 1.240 677 G CA 1.020 46.099 45.100 -0.035 0.000 0.792 677 G HN 0.746 nan 8.290 nan 0.000 0.593 678 P HA -0.114 nan 4.420 nan 0.000 0.216 678 P C 1.145 178.316 177.300 -0.215 0.000 1.153 678 P CA 1.668 64.674 63.100 -0.157 0.000 0.848 678 P CB -0.231 31.361 31.700 -0.180 0.000 0.787 679 H N -0.126 118.773 119.070 -0.287 0.000 2.252 679 H HA -0.127 4.430 4.556 0.002 0.000 0.292 679 H C 2.165 177.389 175.328 -0.173 0.000 1.082 679 H CA 1.692 57.590 56.048 -0.249 0.000 1.229 679 H CB -1.250 28.424 29.762 -0.147 0.000 1.353 679 H HN -0.169 nan 8.280 nan 0.000 0.488 680 V N 0.373 120.298 119.914 0.019 0.000 2.255 680 V HA -0.313 3.809 4.120 0.002 0.000 0.247 680 V C 2.532 178.597 176.094 -0.048 0.000 1.051 680 V CA 1.938 64.230 62.300 -0.014 0.000 1.018 680 V CB -1.084 30.735 31.823 -0.007 0.000 0.641 680 V HN 0.653 nan 8.190 nan 0.000 0.445 681 A N -0.830 121.952 122.820 -0.063 0.000 1.917 681 A HA -0.220 4.102 4.320 0.002 0.000 0.219 681 A C 2.348 179.883 177.584 -0.081 0.000 1.182 681 A CA 2.399 54.397 52.037 -0.064 0.000 0.633 681 A CB -0.799 18.161 19.000 -0.067 0.000 0.819 681 A HN 0.387 nan 8.150 nan 0.000 0.448 682 V N -0.559 119.267 119.914 -0.148 0.000 2.515 682 V HA -0.175 3.947 4.120 0.002 0.000 0.250 682 V C 2.967 179.005 176.094 -0.094 0.000 1.058 682 V CA 1.729 63.937 62.300 -0.154 0.000 1.064 682 V CB -0.883 30.742 31.823 -0.330 0.000 0.675 682 V HN 0.639 nan 8.190 nan 0.000 0.461 683 A N -0.549 122.219 122.820 -0.087 0.000 1.930 683 A HA -0.205 4.117 4.320 0.002 0.000 0.217 683 A C 2.261 179.831 177.584 -0.023 0.000 1.175 683 A CA 1.857 53.866 52.037 -0.046 0.000 0.627 683 A CB -0.341 18.639 19.000 -0.033 0.000 0.815 683 A HN 0.492 nan 8.150 nan 0.000 0.443 684 K N -0.810 119.576 120.400 -0.024 0.000 2.001 684 K HA -0.131 4.190 4.320 0.002 0.000 0.208 684 K C 2.328 178.924 176.600 -0.007 0.000 1.048 684 K CA 1.551 57.831 56.287 -0.012 0.000 0.932 684 K CB -0.153 32.339 32.500 -0.012 0.000 0.715 684 K HN 0.264 nan 8.250 nan 0.000 0.437 685 R N 0.941 121.436 120.500 -0.009 0.000 2.117 685 R HA -0.082 4.260 4.340 0.002 0.000 0.243 685 R C 1.857 178.162 176.300 0.008 0.000 1.143 685 R CA 1.420 57.522 56.100 0.002 0.000 0.968 685 R CB -0.433 29.871 30.300 0.006 0.000 0.863 685 R HN 0.199 nan 8.270 nan 0.000 0.444 686 L N -1.105 120.121 121.223 0.005 0.000 2.049 686 L HA 0.030 4.372 4.340 0.002 0.000 0.203 686 L C 2.458 179.335 176.870 0.012 0.000 1.074 686 L CA 1.180 56.028 54.840 0.014 0.000 0.749 686 L CB -0.842 41.226 42.059 0.015 0.000 0.907 686 L HN 0.283 nan 8.230 nan 0.000 0.439 687 A N 0.532 123.357 122.820 0.007 0.000 1.917 687 A HA -0.255 4.066 4.320 0.002 0.000 0.219 687 A C 2.479 180.067 177.584 0.006 0.000 1.182 687 A CA 1.914 53.955 52.037 0.008 0.000 0.633 687 A CB -0.802 18.201 19.000 0.005 0.000 0.819 687 A HN 0.435 nan 8.150 nan 0.000 0.448 688 A N -0.027 122.796 122.820 0.005 0.000 2.139 688 A HA -0.134 4.187 4.320 0.002 0.000 0.221 688 A C 1.671 179.258 177.584 0.006 0.000 1.159 688 A CA 1.760 53.800 52.037 0.005 0.000 0.662 688 A CB -0.364 18.639 19.000 0.005 0.000 0.796 688 A HN 0.701 nan 8.150 nan 0.000 0.463 689 R N -2.733 117.772 120.500 0.008 0.000 2.727 689 R HA 0.495 4.836 4.340 0.002 0.000 0.410 689 R C 0.847 177.151 176.300 0.006 0.000 1.101 689 R CA 0.274 56.378 56.100 0.007 0.000 1.045 689 R CB -0.856 29.450 30.300 0.010 0.000 1.380 689 R HN 0.574 nan 8.270 nan 0.000 0.587 690 G N -0.038 108.765 108.800 0.005 0.000 2.196 690 G HA2 -0.310 3.651 3.960 0.002 0.000 0.268 690 G HA3 -0.310 3.651 3.960 0.002 0.000 0.268 690 G C 0.159 175.065 174.900 0.009 0.000 0.975 690 G CA 0.389 45.492 45.100 0.005 0.000 0.648 690 G HN 0.277 nan 8.290 nan 0.000 0.538 691 V N 0.925 120.848 119.914 0.014 0.000 2.427 691 V HA 0.388 4.510 4.120 0.002 0.000 0.268 691 V C 0.753 176.863 176.094 0.027 0.000 1.046 691 V CA 0.027 62.340 62.300 0.022 0.000 0.970 691 V CB 1.335 33.176 31.823 0.031 0.000 1.001 691 V HN 0.340 nan 8.190 nan 0.000 0.476 692 K N 4.351 124.771 120.400 0.033 0.000 2.201 692 K HA 0.503 4.824 4.320 0.002 0.000 0.278 692 K C -0.338 176.294 176.600 0.052 0.000 1.027 692 K CA -0.411 55.898 56.287 0.037 0.000 0.909 692 K CB 1.162 33.685 32.500 0.038 0.000 1.062 692 K HN 0.582 nan 8.250 nan 0.000 0.465 693 I N 5.717 126.314 120.570 0.045 0.000 2.406 693 I HA 0.043 4.214 4.170 0.002 0.000 0.293 693 I C 0.354 176.511 176.117 0.067 0.000 1.101 693 I CA -0.002 61.331 61.300 0.055 0.000 1.334 693 I CB 0.089 38.109 38.000 0.032 0.000 1.421 693 I HN 0.370 nan 8.210 nan 0.000 0.513 694 R N 8.164 128.720 120.500 0.093 0.000 2.500 694 R HA 0.472 4.814 4.340 0.002 0.000 0.277 694 R C -2.355 174.002 176.300 0.095 0.000 1.026 694 R CA -1.811 54.349 56.100 0.100 0.000 1.058 694 R CB 0.417 30.799 30.300 0.137 0.000 1.078 694 R HN 0.296 nan 8.270 nan 0.000 0.509 695 P HA 0.001 nan 4.420 nan 0.000 0.272 695 P C 0.422 177.763 177.300 0.068 0.000 1.223 695 P CA 0.249 63.388 63.100 0.066 0.000 0.784 695 P CB 0.444 32.173 31.700 0.048 0.000 0.923 696 G N 0.854 109.691 108.800 0.062 0.000 2.179 696 G HA2 -0.195 3.767 3.960 0.002 0.000 0.257 696 G HA3 -0.195 3.767 3.960 0.002 0.000 0.257 696 G C 0.249 175.191 174.900 0.069 0.000 1.010 696 G CA 0.612 45.746 45.100 0.056 0.000 0.736 696 G HN 0.946 nan 8.290 nan 0.000 0.513 697 T N -3.268 111.338 114.554 0.086 0.000 2.940 697 T HA 0.768 5.120 4.350 0.002 0.000 0.288 697 T C -0.149 174.605 174.700 0.089 0.000 1.045 697 T CA -0.486 61.670 62.100 0.094 0.000 1.018 697 T CB 2.868 71.827 68.868 0.150 0.000 1.151 697 T HN 0.760 nan 8.240 nan 0.000 0.529 698 V N 1.936 121.903 119.914 0.090 0.000 2.547 698 V HA 0.594 4.716 4.120 0.002 0.000 0.299 698 V C 0.103 176.276 176.094 0.133 0.000 1.040 698 V CA -0.994 61.368 62.300 0.104 0.000 0.913 698 V CB 1.017 32.891 31.823 0.085 0.000 0.992 698 V HN 0.964 nan 8.190 nan 0.000 0.449 699 I N 1.116 121.775 120.570 0.148 0.000 2.509 699 I HA 0.794 4.965 4.170 0.002 0.000 0.293 699 I C -0.265 175.971 176.117 0.198 0.000 1.020 699 I CA -0.330 61.075 61.300 0.173 0.000 1.088 699 I CB 2.297 40.388 38.000 0.151 0.000 1.267 699 I HN 0.450 nan 8.210 nan 0.000 0.430 700 S N 5.687 121.492 115.700 0.175 0.000 2.566 700 S HA 0.672 5.144 4.470 0.002 0.000 0.324 700 S C -0.872 173.760 174.600 0.053 0.000 1.081 700 S CA -0.642 57.579 58.200 0.035 0.000 1.105 700 S CB 0.462 63.741 63.200 0.131 0.000 0.981 700 S HN 0.706 nan 8.310 nan 0.000 0.464 701 Y N 0.289 120.534 120.300 -0.090 0.000 2.665 701 Y HA 0.919 5.470 4.550 0.002 0.000 0.336 701 Y C -1.196 174.650 175.900 -0.090 0.000 1.085 701 Y CA -1.847 56.207 58.100 -0.078 0.000 1.096 701 Y CB 0.570 38.986 38.460 -0.074 0.000 1.301 701 Y HN 0.355 nan 8.280 nan 0.000 0.493 702 I N 1.012 121.630 120.570 0.080 0.000 2.646 702 I HA 0.572 4.744 4.170 0.002 0.000 0.299 702 I C -0.968 175.219 176.117 0.116 0.000 1.036 702 I CA -0.896 60.393 61.300 -0.018 0.000 1.074 702 I CB 2.306 40.081 38.000 -0.376 0.000 1.258 702 I HN 0.540 nan 8.210 nan 0.000 0.430 703 V N 6.295 126.333 119.914 0.207 0.000 2.547 703 V HA 0.578 4.699 4.120 0.002 0.000 0.299 703 V C -0.629 175.502 176.094 0.062 0.000 1.040 703 V CA -0.580 61.733 62.300 0.022 0.000 0.913 703 V CB 1.603 33.135 31.823 -0.486 0.000 0.992 703 V HN 0.580 nan 8.190 nan 0.000 0.449 704 L N 2.159 123.384 121.223 0.004 0.000 2.422 704 L HA 0.605 4.946 4.340 0.002 0.000 0.263 704 L C -0.349 176.540 176.870 0.032 0.000 1.372 704 L CA -0.688 54.186 54.840 0.057 0.000 0.857 704 L CB 0.470 42.599 42.059 0.117 0.000 1.024 704 L HN 0.218 nan 8.230 nan 0.000 0.507 712 D N -0.660 119.733 120.400 -0.012 0.000 2.475 712 D HA 0.070 4.712 4.640 0.002 0.000 0.306 712 D C 2.207 178.504 176.300 -0.004 0.000 1.304 712 D CA -0.207 53.792 54.000 -0.002 0.000 0.862 712 D CB 0.636 41.438 40.800 0.004 0.000 1.306 712 D HN 0.189 nan 8.370 nan 0.000 0.494 713 R N 1.012 121.497 120.500 -0.025 0.000 2.070 713 R HA 0.172 4.513 4.340 0.002 0.000 0.232 713 R C 1.153 177.427 176.300 -0.043 0.000 1.138 713 R CA 0.890 56.963 56.100 -0.044 0.000 0.936 713 R CB -0.768 29.488 30.300 -0.073 0.000 0.839 713 R HN 0.111 nan 8.270 nan 0.000 0.429 714 A N 0.855 123.644 122.820 -0.052 0.000 2.282 714 A HA 0.718 5.040 4.320 0.002 0.000 0.324 714 A C -0.721 176.875 177.584 0.020 0.000 1.119 714 A CA -0.597 51.430 52.037 -0.017 0.000 0.880 714 A CB 1.246 20.186 19.000 -0.099 0.000 1.294 714 A HN 0.243 nan 8.150 nan 0.000 0.493 715 I N -0.036 120.580 120.570 0.077 0.000 2.610 715 I HA 0.468 4.640 4.170 0.002 0.000 0.289 715 I C -2.740 173.449 176.117 0.120 0.000 1.163 715 I CA -2.000 59.356 61.300 0.094 0.000 1.044 715 I CB 2.537 40.625 38.000 0.147 0.000 1.251 715 I HN 0.350 nan 8.210 nan 0.000 0.424 716 P HA 0.031 nan 4.420 nan 0.000 0.263 716 P C 0.235 177.599 177.300 0.108 0.000 1.175 716 P CA 0.395 63.561 63.100 0.111 0.000 0.761 716 P CB 0.700 32.449 31.700 0.082 0.000 0.794 717 A N 4.614 127.486 122.820 0.088 0.000 1.884 717 A HA -0.290 4.031 4.320 0.002 0.000 0.219 717 A C 1.652 179.291 177.584 0.091 0.000 1.197 717 A CA 2.564 54.632 52.037 0.053 0.000 0.637 717 A CB -1.668 17.348 19.000 0.027 0.000 0.827 717 A HN 0.656 nan 8.150 nan 0.000 0.450 718 D N 0.640 121.092 120.400 0.087 0.000 2.315 718 D HA -0.135 4.506 4.640 0.002 0.000 0.211 718 D C 0.252 176.607 176.300 0.092 0.000 0.977 718 D CA 1.324 55.374 54.000 0.082 0.000 0.894 718 D CB -0.495 40.347 40.800 0.069 0.000 0.910 718 D HN 0.772 nan 8.370 nan 0.000 0.490 719 E N -0.512 119.756 120.200 0.113 0.000 2.489 719 E HA 0.448 4.800 4.350 0.002 0.000 0.232 719 E C -1.031 175.683 176.600 0.190 0.000 0.990 719 E CA -0.762 55.705 56.400 0.110 0.000 0.768 719 E CB 0.774 30.521 29.700 0.078 0.000 1.270 719 E HN 0.137 nan 8.360 nan 0.000 0.423 731 Y N 0.918 121.283 120.300 0.107 0.000 2.153 731 Y HA 0.053 4.604 4.550 0.002 0.000 0.289 731 Y C 1.884 177.811 175.900 0.044 0.000 1.127 731 Y CA 1.982 60.116 58.100 0.057 0.000 1.131 731 Y CB -0.570 37.922 38.460 0.053 0.000 0.995 731 Y HN 0.236 nan 8.280 nan 0.000 0.505 732 Y N 0.316 120.736 120.300 0.200 0.000 2.736 732 Y HA -0.165 4.386 4.550 0.002 0.000 0.298 732 Y C 2.055 177.936 175.900 -0.033 0.000 1.156 732 Y CA 1.511 59.656 58.100 0.075 0.000 1.384 732 Y CB -0.178 38.374 38.460 0.154 0.000 0.976 732 Y HN 0.370 nan 8.280 nan 0.000 0.556 733 I N -1.117 119.488 120.570 0.057 0.000 3.518 733 I HA -0.020 4.151 4.170 0.002 0.000 0.260 733 I C 1.089 177.186 176.117 -0.034 0.000 1.148 733 I CA 0.217 61.535 61.300 0.030 0.000 1.440 733 I CB 0.416 38.449 38.000 0.055 0.000 1.485 733 I HN -0.186 nan 8.210 nan 0.000 0.456 734 E N 2.154 122.322 120.200 -0.053 0.000 2.320 734 E HA 0.055 4.407 4.350 0.002 0.000 0.189 734 E C -0.339 176.173 176.600 -0.147 0.000 1.100 734 E CA 0.213 56.575 56.400 -0.064 0.000 1.009 734 E CB -0.514 29.171 29.700 -0.026 0.000 1.145 734 E HN 0.375 nan 8.360 nan 0.000 0.454 735 N N 0.542 119.079 118.700 -0.271 0.000 2.776 735 N HA -0.031 4.711 4.740 0.002 0.000 0.215 735 N C -0.272 174.908 175.510 -0.550 0.000 1.347 735 N CA 0.283 53.073 53.050 -0.434 0.000 1.323 735 N CB 0.364 38.468 38.487 -0.638 0.000 1.547 735 N HN -0.015 nan 8.380 nan 0.000 0.582 736 Q N -1.198 118.471 119.800 -0.217 0.000 1.473 736 Q HA 0.222 4.563 4.340 0.002 0.000 0.144 736 Q C 0.465 176.561 176.000 0.160 0.000 0.471 736 Q CA 0.868 56.636 55.803 -0.059 0.000 0.809 736 Q CB -0.510 28.085 28.738 -0.238 0.000 0.832 736 Q HN -0.066 nan 8.270 nan 0.000 0.164 737 V N 2.001 121.962 119.914 0.077 0.000 2.548 737 V HA -0.067 4.054 4.120 0.002 0.000 0.249 737 V C 1.989 178.111 176.094 0.046 0.000 1.055 737 V CA 1.559 63.899 62.300 0.067 0.000 1.065 737 V CB -0.261 31.596 31.823 0.056 0.000 0.681 737 V HN 0.437 nan 8.190 nan 0.000 0.462 738 L N 0.265 121.512 121.223 0.041 0.000 1.988 738 L HA -0.028 4.314 4.340 0.002 0.000 0.207 738 L C 0.154 177.062 176.870 0.064 0.000 1.071 738 L CA 2.361 57.222 54.840 0.034 0.000 0.744 738 L CB -2.338 39.733 42.059 0.019 0.000 0.893 738 L HN 0.322 nan 8.230 nan 0.000 0.433 739 P HA -0.139 nan 4.420 nan 0.000 0.218 739 P C 1.348 178.775 177.300 0.211 0.000 1.146 739 P CA 1.575 64.785 63.100 0.182 0.000 0.813 739 P CB -0.011 31.818 31.700 0.215 0.000 0.778 740 A N -0.590 122.301 122.820 0.118 0.000 2.014 740 A HA -0.047 4.275 4.320 0.002 0.000 0.218 740 A C 1.669 179.172 177.584 -0.135 0.000 1.163 740 A CA 1.795 53.698 52.037 -0.223 0.000 0.652 740 A CB -0.970 17.804 19.000 -0.376 0.000 0.808 740 A HN 0.229 nan 8.150 nan 0.000 0.449 741 V N -1.996 117.892 119.914 -0.043 0.000 2.991 741 V HA 0.298 4.420 4.120 0.002 0.000 0.355 741 V C 0.983 177.092 176.094 0.024 0.000 1.384 741 V CA 0.639 62.925 62.300 -0.023 0.000 1.171 741 V CB -0.279 31.519 31.823 -0.042 0.000 1.190 741 V HN 0.578 nan 8.190 nan 0.000 0.540 742 E N 1.865 122.092 120.200 0.045 0.000 2.051 742 E HA -0.106 4.246 4.350 0.002 0.000 0.189 742 E C 2.132 178.783 176.600 0.085 0.000 0.979 742 E CA 1.288 57.727 56.400 0.065 0.000 0.803 742 E CB -0.197 29.544 29.700 0.068 0.000 0.761 742 E HN 0.519 nan 8.360 nan 0.000 0.451 743 R N 0.573 121.125 120.500 0.087 0.000 2.066 743 R HA 0.044 4.385 4.340 0.002 0.000 0.232 743 R C 2.583 178.972 176.300 0.149 0.000 1.131 743 R CA 1.614 57.778 56.100 0.107 0.000 0.955 743 R CB -0.445 29.913 30.300 0.096 0.000 0.851 743 R HN 0.261 nan 8.270 nan 0.000 0.432 744 I N 1.066 121.732 120.570 0.159 0.000 2.087 744 I HA -0.344 3.828 4.170 0.002 0.000 0.240 744 I C 2.022 178.276 176.117 0.229 0.000 1.054 744 I CA 1.803 63.240 61.300 0.229 0.000 1.311 744 I CB -0.508 37.589 38.000 0.161 0.000 1.024 744 I HN 0.218 nan 8.210 nan 0.000 0.402 745 L N -0.166 121.170 121.223 0.188 0.000 2.558 745 L HA -0.045 4.297 4.340 0.002 0.000 0.225 745 L C 2.247 179.314 176.870 0.328 0.000 1.128 745 L CA 0.250 55.273 54.840 0.305 0.000 0.868 745 L CB -0.354 41.826 42.059 0.201 0.000 1.006 745 L HN 0.096 nan 8.230 nan 0.000 0.454 746 K N 1.022 121.538 120.400 0.194 0.000 2.155 746 K HA -0.010 4.311 4.320 0.002 0.000 0.203 746 K C 2.086 178.723 176.600 0.061 0.000 1.052 746 K CA 1.153 57.514 56.287 0.122 0.000 0.948 746 K CB -0.143 32.414 32.500 0.095 0.000 0.728 746 K HN 0.210 nan 8.250 nan 0.000 0.448 747 A N -0.881 121.983 122.820 0.073 0.000 2.121 747 A HA -0.031 4.291 4.320 0.002 0.000 0.218 747 A C 1.411 178.835 177.584 -0.267 0.000 1.154 747 A CA 0.952 52.955 52.037 -0.057 0.000 0.679 747 A CB -0.474 18.515 19.000 -0.018 0.000 0.795 747 A HN 0.309 nan 8.150 nan 0.000 0.458 748 F N -0.816 119.044 119.950 -0.150 0.000 2.695 748 F HA 0.374 4.902 4.527 0.002 0.000 0.303 748 F C 1.474 176.917 175.800 -0.596 0.000 1.091 748 F CA 0.629 58.469 58.000 -0.267 0.000 1.300 748 F CB 0.510 39.445 39.000 -0.108 0.000 1.071 748 F HN 0.304 nan 8.300 nan 0.000 0.578 749 G N 0.359 108.923 108.800 -0.393 0.000 2.600 749 G HA2 -0.225 3.736 3.960 0.002 0.000 0.251 749 G HA3 -0.225 3.736 3.960 0.002 0.000 0.251 749 G C -0.816 173.673 174.900 -0.685 0.000 1.142 749 G CA -0.575 44.230 45.100 -0.493 0.000 0.994 749 G HN 0.249 nan 8.290 nan 0.000 0.511 750 Y N 0.000 120.325 120.300 0.042 0.000 2.660 750 Y HA 0.000 4.551 4.550 0.002 0.000 0.201 750 Y CA 0.000 58.117 58.100 0.027 0.000 1.940 750 Y CB 0.000 38.473 38.460 0.021 0.000 1.050 750 Y HN 0.000 nan 8.280 nan 0.000 0.758