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 2y5e_1_A DATA FIRST_RESID 3 DATA SEQUENCE FMPDARAYWV TSDLIAWNVG EXXXXSVCLY ASRAAAMSLX XXXXXIQGYD DATA SEQUENCE SKVELQPESA GLPETVTQKF PFISSYRAFR VPSSVDVASL VKCQLVVASF DATA SEQUENCE XXXXXXXDVT GLQLPGVLDD MFAYTGPLGA VFSEDSVSLH LWAPTAQGVS DATA SEQUENCE VCFFDGPAGP ALETVQLKES NGVWSVTGPR EWENRYYLYE VDVYHPTKAQ DATA SEQUENCE VLKCLAGDPY ARSLSANGAR TWLVDINNET LKPASWDELA DEKPKLDSFS DATA SEQUENCE DITIYELHIR DFSAHDGTVD SDSRGGFRAF AYQASAGMEH LRKLSDAGLT DATA SEQUENCE HVHLLPSFHF AGVDDIKSNW KFVDECELAT FPPGSDMQQA AVVAIQEEDP DATA SEQUENCE YNWGYNPVLW GVPKGSYASD PDGPSRIIEY RQMVQALNRI GLRVVMDVVY DATA SEQUENCE NHLDSSGPCG ISSVLDKIVP GYYVRRDTNG QIENSAAMNN TASEHFMVDR DATA SEQUENCE LIVDDLLNWA VNYKVDGFRF DLMGHIMKRT MMRAKSALQS LTTDAHGVDG DATA SEQUENCE SKIYLYGEGW DFAEVARNQR GINGSQLNMS GTGIGSFNDR IRDAINGGNP DATA SEQUENCE FGNPLQQGFN TGLFLEPNGF YQGNEADTRR SLATYADQIQ IGLAGNLRDY DATA SEQUENCE VLISHTGEAK KGSEIHTFDG LPVGYTASPI ETINYVSAHD NETLFDVISV DATA SEQUENCE KTPMILSVDE RCRINHLASS MMALSQGIPF FHAGDEILRS KSIDRDSYNS DATA SEQUENCE GDWFNKLDFT YETNNWGVGL PPSEKNEDNW PLMKPRLENP SFKPAKGHIL DATA SEQUENCE AALDSFVDIL KIRYSSPLFR LSTANDIKQR VRFHNTGPSL VPGVIVMGIE DATA SEQUENCE DARGESPEMA QLDTNFSYVV TVFNVCPHEV SMDIPALASM GFELHPVQVN DATA SEQUENCE SSDTLVRKSA YEAATGRFTV PGRTVSVFVE PRC 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 3 F HA 0.000 nan 4.527 nan 0.000 0.279 3 F C 0.000 175.830 175.800 0.049 0.000 0.967 3 F CA 0.000 58.019 58.000 0.032 0.000 1.383 3 F CB 0.000 39.018 39.000 0.030 0.000 1.145 4 M N 4.154 123.782 119.600 0.046 0.000 2.007 4 M HA 0.517 5.003 4.480 0.011 0.000 0.285 4 M C -2.873 173.459 176.300 0.053 0.000 0.893 4 M CA -1.552 53.784 55.300 0.059 0.000 0.925 4 M CB 1.484 34.113 32.600 0.048 0.000 1.568 4 M HN 0.405 nan 8.290 nan 0.000 0.414 5 P HA 0.352 nan 4.420 nan 0.000 0.279 5 P C -0.953 176.376 177.300 0.047 0.000 1.252 5 P CA -0.357 62.769 63.100 0.042 0.000 0.811 5 P CB 0.719 32.433 31.700 0.023 0.000 1.035 6 D N 0.268 120.695 120.400 0.046 0.000 2.289 6 D HA 0.355 5.002 4.640 0.011 0.000 0.266 6 D C -0.522 175.791 176.300 0.022 0.000 1.243 6 D CA -0.633 53.396 54.000 0.047 0.000 1.019 6 D CB -0.426 40.413 40.800 0.065 0.000 1.126 6 D HN 0.431 nan 8.370 nan 0.000 0.541 7 A N -0.980 121.848 122.820 0.013 0.000 2.855 7 A HA 0.413 4.739 4.320 0.011 0.000 0.313 7 A C 0.254 177.800 177.584 -0.062 0.000 1.173 7 A CA -0.716 51.288 52.037 -0.054 0.000 0.753 7 A CB 0.258 19.219 19.000 -0.064 0.000 1.200 7 A HN 0.420 nan 8.150 nan 0.000 0.442 8 R N 0.607 121.102 120.500 -0.009 0.000 2.362 8 R HA 0.371 4.717 4.340 0.011 0.000 0.227 8 R C 0.683 177.105 176.300 0.204 0.000 0.905 8 R CA 0.758 56.968 56.100 0.184 0.000 1.067 8 R CB 0.874 31.401 30.300 0.378 0.000 1.078 8 R HN 0.663 nan 8.270 nan 0.000 0.516 9 A N 0.221 122.920 122.820 -0.201 0.000 2.320 9 A HA 0.618 4.944 4.320 0.011 0.000 0.334 9 A C -1.354 176.111 177.584 -0.198 0.000 1.147 9 A CA -0.402 51.512 52.037 -0.205 0.000 0.820 9 A CB 0.634 19.215 19.000 -0.699 0.000 1.218 9 A HN 0.136 nan 8.150 nan 0.000 0.482 10 Y N -0.115 120.193 120.300 0.014 0.000 2.350 10 Y HA 0.382 4.938 4.550 0.009 0.000 0.338 10 Y C -0.647 175.282 175.900 0.048 0.000 0.961 10 Y CA -0.357 57.731 58.100 -0.020 0.000 1.100 10 Y CB 1.744 40.103 38.460 -0.169 0.000 1.179 10 Y HN 0.748 nan 8.280 nan 0.000 0.454 11 W N 6.187 127.501 121.300 0.022 0.000 2.292 11 W HA 0.361 5.033 4.660 0.020 0.000 0.352 11 W C 0.485 177.011 176.519 0.011 0.000 0.962 11 W CA -1.285 56.072 57.345 0.019 0.000 1.496 11 W CB 0.598 30.060 29.460 0.004 0.000 1.381 11 W HN 0.541 nan 8.180 nan 0.000 0.363 12 V N 1.926 122.041 119.914 0.335 0.000 2.535 12 V HA 0.100 4.226 4.120 0.011 0.000 0.246 12 V C 0.822 177.048 176.094 0.221 0.000 1.045 12 V CA 1.764 64.162 62.300 0.163 0.000 1.058 12 V CB -0.704 31.151 31.823 0.053 0.000 0.689 12 V HN 0.355 nan 8.190 nan 0.000 0.461 13 T N -2.707 112.022 114.554 0.293 0.000 2.901 13 T HA 0.456 4.813 4.350 0.011 0.000 0.293 13 T C 0.925 175.800 174.700 0.292 0.000 1.084 13 T CA 0.235 62.459 62.100 0.207 0.000 1.008 13 T CB 1.538 70.496 68.868 0.151 0.000 1.170 13 T HN 0.538 nan 8.240 nan 0.000 0.509 14 S N 0.324 116.105 115.700 0.135 0.000 2.440 14 S HA -0.158 4.318 4.470 0.011 0.000 0.240 14 S C 1.005 175.816 174.600 0.352 0.000 1.014 14 S CA 1.582 59.870 58.200 0.147 0.000 0.980 14 S CB -0.741 62.459 63.200 -0.001 0.000 0.775 14 S HN 0.933 nan 8.310 nan 0.000 0.499 15 D N -0.592 119.966 120.400 0.265 0.000 2.503 15 D HA 0.351 4.997 4.640 0.011 0.000 0.218 15 D C -0.352 176.037 176.300 0.149 0.000 1.183 15 D CA -0.397 53.717 54.000 0.191 0.000 0.827 15 D CB -0.180 40.683 40.800 0.105 0.000 1.034 15 D HN 0.328 nan 8.370 nan 0.000 0.510 16 L N 0.639 121.980 121.223 0.196 0.000 2.408 16 L HA 0.539 4.886 4.340 0.011 0.000 0.268 16 L C -0.810 176.106 176.870 0.077 0.000 0.986 16 L CA -0.658 54.253 54.840 0.118 0.000 0.820 16 L CB 2.641 44.768 42.059 0.113 0.000 1.303 16 L HN -0.058 nan 8.230 nan 0.000 0.411 17 I N 2.307 122.893 120.570 0.026 0.000 2.447 17 I HA 0.639 4.815 4.170 0.011 0.000 0.287 17 I C -0.428 175.831 176.117 0.237 0.000 1.023 17 I CA -0.704 60.596 61.300 0.001 0.000 1.083 17 I CB 2.062 39.920 38.000 -0.235 0.000 1.245 17 I HN 0.676 nan 8.210 nan 0.000 0.434 18 A N 6.616 129.591 122.820 0.257 0.000 2.276 18 A HA 0.650 4.976 4.320 0.011 0.000 0.316 18 A C -1.643 176.338 177.584 0.661 0.000 1.229 18 A CA -0.238 52.026 52.037 0.379 0.000 0.851 18 A CB 0.646 19.756 19.000 0.183 0.000 1.165 18 A HN 0.689 nan 8.150 nan 0.000 0.513 19 W N 3.521 125.118 121.300 0.494 0.000 3.274 19 W HA 0.383 5.042 4.660 -0.002 0.000 0.327 19 W C -0.799 175.797 176.519 0.129 0.000 1.172 19 W CA -1.436 56.144 57.345 0.392 0.000 1.217 19 W CB 1.499 31.112 29.460 0.255 0.000 1.376 19 W HN 0.709 nan 8.180 nan 0.000 0.507 20 N N 4.036 122.561 118.700 -0.292 0.000 3.052 20 N HA 0.142 4.889 4.740 0.011 0.000 0.302 20 N C -0.098 175.092 175.510 -0.533 0.000 1.332 20 N CA -0.007 52.650 53.050 -0.655 0.000 1.129 20 N CB -0.829 36.942 38.487 -1.192 0.000 1.436 20 N HN 0.141 nan 8.380 nan 0.000 0.536 21 V N -3.007 116.585 119.914 -0.537 0.000 3.403 21 V HA 0.878 5.004 4.120 0.011 0.000 0.305 21 V C 0.952 176.889 176.094 -0.262 0.000 1.060 21 V CA -0.688 61.296 62.300 -0.526 0.000 1.053 21 V CB 0.475 31.899 31.823 -0.665 0.000 1.198 21 V HN 0.270 nan 8.190 nan 0.000 0.447 22 G N -1.113 107.561 108.800 -0.209 0.000 2.601 22 G HA2 0.655 4.622 3.960 0.011 0.000 0.317 22 G HA3 0.655 4.622 3.960 0.011 0.000 0.317 22 G C -0.183 174.668 174.900 -0.080 0.000 1.246 22 G CA -0.096 44.928 45.100 -0.127 0.000 1.012 22 G HN 1.342 nan 8.290 nan 0.000 0.494 29 V N 2.084 121.963 119.914 -0.058 0.000 2.638 29 V HA 0.738 4.864 4.120 0.011 0.000 0.306 29 V C -0.219 175.768 176.094 -0.178 0.000 1.052 29 V CA -0.718 61.501 62.300 -0.136 0.000 0.885 29 V CB 1.316 32.895 31.823 -0.405 0.000 0.999 29 V HN 0.987 nan 8.190 nan 0.000 0.424 30 C N 4.930 124.128 119.300 -0.169 0.000 2.707 30 C HA 0.763 5.229 4.460 0.011 0.000 0.313 30 C C -0.403 174.311 174.990 -0.460 0.000 1.209 30 C CA -0.683 58.125 59.018 -0.350 0.000 1.635 30 C CB 1.610 29.078 27.740 -0.453 0.000 2.206 30 C HN 0.794 nan 8.230 nan 0.000 0.485 31 L N 2.786 123.650 121.223 -0.598 0.000 2.307 31 L HA 0.674 5.020 4.340 0.011 0.000 0.284 31 L C -1.398 175.079 176.870 -0.654 0.000 1.023 31 L CA 0.033 54.580 54.840 -0.490 0.000 0.810 31 L CB 0.445 42.269 42.059 -0.392 0.000 1.231 31 L HN 0.661 nan 8.230 nan 0.000 0.423 32 Y N 3.650 123.824 120.300 -0.211 0.000 2.446 32 Y HA 0.827 5.373 4.550 -0.007 0.000 0.345 32 Y C 0.065 175.910 175.900 -0.092 0.000 0.984 32 Y CA -0.677 57.309 58.100 -0.189 0.000 1.058 32 Y CB 2.144 40.490 38.460 -0.191 0.000 1.220 32 Y HN 0.764 nan 8.280 nan 0.000 0.455 33 A N 1.572 124.459 122.820 0.110 0.000 2.381 33 A HA 0.682 5.008 4.320 0.011 0.000 0.299 33 A C -1.060 176.580 177.584 0.093 0.000 1.049 33 A CA -0.669 51.409 52.037 0.068 0.000 0.715 33 A CB 1.499 20.526 19.000 0.043 0.000 1.222 33 A HN 0.542 nan 8.150 nan 0.000 0.428 34 S N 1.646 117.363 115.700 0.029 0.000 2.756 34 S HA 0.351 4.827 4.470 0.011 0.000 0.303 34 S C 0.933 175.519 174.600 -0.022 0.000 1.135 34 S CA -0.568 57.646 58.200 0.023 0.000 1.066 34 S CB 0.900 64.115 63.200 0.025 0.000 1.008 34 S HN 0.828 nan 8.310 nan 0.000 0.482 35 R N 3.800 124.300 120.500 -0.000 0.000 2.081 35 R HA -0.038 4.308 4.340 0.011 0.000 0.235 35 R C 1.680 177.984 176.300 0.006 0.000 1.131 35 R CA 1.904 58.002 56.100 -0.003 0.000 0.960 35 R CB -0.426 29.881 30.300 0.012 0.000 0.856 35 R HN 0.679 nan 8.270 nan 0.000 0.436 36 A N 0.000 122.829 122.820 0.015 0.000 2.238 36 A HA 0.368 4.694 4.320 0.011 0.000 0.208 36 A C 0.691 178.302 177.584 0.045 0.000 1.177 36 A CA 0.574 52.630 52.037 0.031 0.000 0.804 36 A CB -0.106 18.909 19.000 0.024 0.000 0.823 36 A HN 0.558 nan 8.150 nan 0.000 0.482 37 A N -1.709 121.122 122.820 0.018 0.000 2.360 37 A HA 0.074 4.401 4.320 0.011 0.000 0.289 37 A C 0.801 178.416 177.584 0.052 0.000 1.437 37 A CA 0.941 52.993 52.037 0.026 0.000 0.734 37 A CB -1.703 17.392 19.000 0.158 0.000 1.145 37 A HN 1.981 nan 8.150 nan 0.000 0.374 38 A N 1.240 124.076 122.820 0.027 0.000 2.616 38 A HA 0.607 4.933 4.320 0.011 0.000 0.294 38 A C 0.536 178.128 177.584 0.014 0.000 1.091 38 A CA 0.177 52.227 52.037 0.023 0.000 0.971 38 A CB 0.057 19.064 19.000 0.011 0.000 1.222 38 A HN 0.784 nan 8.150 nan 0.000 0.521 39 M N 1.258 120.870 119.600 0.019 0.000 2.288 39 M HA 0.461 4.947 4.480 0.011 0.000 0.334 39 M C 0.240 176.541 176.300 0.001 0.000 1.150 39 M CA 0.039 55.347 55.300 0.013 0.000 1.118 39 M CB 1.439 34.048 32.600 0.016 0.000 1.501 39 M HN 0.449 nan 8.290 nan 0.000 0.462 40 S N 0.036 115.727 115.700 -0.015 0.000 2.570 40 S HA 0.854 5.330 4.470 0.011 0.000 0.270 40 S C -0.465 174.114 174.600 -0.035 0.000 1.149 40 S CA -1.273 56.916 58.200 -0.017 0.000 0.837 40 S CB 0.918 64.113 63.200 -0.008 0.000 1.124 40 S HN 0.711 nan 8.310 nan 0.000 0.465 49 Q N 3.877 123.674 119.800 -0.006 0.000 2.590 49 Q HA 0.824 5.170 4.340 0.011 0.000 0.295 49 Q C 0.595 176.594 176.000 -0.002 0.000 0.973 49 Q CA -0.436 55.399 55.803 0.053 0.000 0.768 49 Q CB 2.125 30.855 28.738 -0.013 0.000 1.479 49 Q HN 2.640 nan 8.270 nan 0.000 0.419 50 G N 0.094 108.803 108.800 -0.153 0.000 2.143 50 G HA2 -0.322 3.644 3.960 0.011 0.000 0.248 50 G HA3 -0.322 3.644 3.960 0.011 0.000 0.248 50 G C -0.359 174.488 174.900 -0.088 0.000 0.991 50 G CA 0.646 45.667 45.100 -0.132 0.000 0.689 50 G HN 0.825 nan 8.290 nan 0.000 0.522 51 Y N -0.899 119.414 120.300 0.021 0.000 2.298 51 Y HA 0.715 5.274 4.550 0.015 0.000 0.329 51 Y C 0.868 176.794 175.900 0.044 0.000 1.293 51 Y CA -0.804 57.328 58.100 0.053 0.000 1.388 51 Y CB 0.736 39.288 38.460 0.153 0.000 1.309 51 Y HN -0.067 nan 8.280 nan 0.000 0.544 52 D N 0.092 120.635 120.400 0.238 0.000 2.324 52 D HA 0.055 4.701 4.640 0.011 0.000 0.212 52 D C -0.042 176.389 176.300 0.219 0.000 0.984 52 D CA 1.112 55.197 54.000 0.141 0.000 0.885 52 D CB 0.186 41.034 40.800 0.081 0.000 0.996 52 D HN 0.547 nan 8.370 nan 0.000 0.505 53 S N -1.280 114.586 115.700 0.277 0.000 2.564 53 S HA 0.633 5.109 4.470 0.011 0.000 0.274 53 S C -0.835 173.784 174.600 0.032 0.000 1.124 53 S CA -0.773 57.529 58.200 0.169 0.000 0.869 53 S CB 3.272 66.512 63.200 0.067 0.000 1.105 53 S HN -0.093 nan 8.310 nan 0.000 0.472 54 K N 0.668 121.006 120.400 -0.104 0.000 2.468 54 K HA 0.809 5.135 4.320 0.011 0.000 0.252 54 K C -1.911 174.516 176.600 -0.287 0.000 0.932 54 K CA -0.411 55.639 56.287 -0.394 0.000 0.794 54 K CB 1.305 33.471 32.500 -0.558 0.000 1.241 54 K HN 1.674 nan 8.250 nan 0.000 0.428 55 V N 2.472 122.165 119.914 -0.369 0.000 2.891 55 V HA 0.526 4.652 4.120 0.011 0.000 0.304 55 V C -0.830 175.094 176.094 -0.283 0.000 1.171 55 V CA -0.533 61.617 62.300 -0.249 0.000 0.943 55 V CB 1.887 33.609 31.823 -0.169 0.000 1.037 55 V HN 1.067 nan 8.190 nan 0.000 0.427 56 E N 4.574 124.656 120.200 -0.197 0.000 2.313 56 E HA 0.582 4.938 4.350 0.011 0.000 0.272 56 E C -1.237 175.289 176.600 -0.124 0.000 1.038 56 E CA -0.621 55.677 56.400 -0.170 0.000 0.863 56 E CB 1.397 31.031 29.700 -0.111 0.000 1.060 56 E HN 0.709 nan 8.360 nan 0.000 0.402 57 L N 3.527 124.682 121.223 -0.114 0.000 2.296 57 L HA 0.300 4.646 4.340 0.011 0.000 0.286 57 L C -0.306 176.609 176.870 0.074 0.000 1.023 57 L CA -0.874 53.941 54.840 -0.042 0.000 0.812 57 L CB 1.546 43.548 42.059 -0.094 0.000 1.223 57 L HN 0.511 nan 8.230 nan 0.000 0.421 58 Q N 5.168 125.020 119.800 0.087 0.000 2.314 58 Q HA 0.299 4.645 4.340 0.011 0.000 0.257 58 Q C -2.390 173.697 176.000 0.146 0.000 0.975 58 Q CA -1.575 54.286 55.803 0.097 0.000 0.933 58 Q CB 1.201 29.965 28.738 0.044 0.000 1.195 58 Q HN 0.202 nan 8.270 nan 0.000 0.426 59 P HA -0.060 nan 4.420 nan 0.000 0.262 59 P C -1.024 176.227 177.300 -0.083 0.000 1.199 59 P CA 0.067 63.172 63.100 0.009 0.000 0.763 59 P CB 0.570 32.280 31.700 0.017 0.000 0.790 60 E N 2.054 122.150 120.200 -0.173 0.000 2.354 60 E HA 0.179 4.535 4.350 0.011 0.000 0.269 60 E C 0.346 176.874 176.600 -0.120 0.000 1.036 60 E CA 0.183 56.515 56.400 -0.114 0.000 0.876 60 E CB 0.486 30.122 29.700 -0.105 0.000 1.009 60 E HN 0.225 nan 8.360 nan 0.000 0.416 61 S N 2.628 118.285 115.700 -0.072 0.000 2.497 61 S HA 0.137 4.613 4.470 0.011 0.000 0.221 61 S C 1.318 175.887 174.600 -0.051 0.000 1.037 61 S CA 0.314 58.477 58.200 -0.062 0.000 0.920 61 S CB 0.498 63.673 63.200 -0.041 0.000 0.800 61 S HN 0.606 nan 8.310 nan 0.000 0.505 62 A N 1.378 124.173 122.820 -0.041 0.000 2.238 62 A HA 0.547 4.873 4.320 0.011 0.000 0.208 62 A C 1.358 178.923 177.584 -0.032 0.000 1.177 62 A CA 0.652 52.671 52.037 -0.030 0.000 0.804 62 A CB -1.037 17.951 19.000 -0.019 0.000 0.823 62 A HN 0.694 nan 8.150 nan 0.000 0.482 63 G N -0.750 108.019 108.800 -0.051 0.000 2.645 63 G HA2 -0.224 3.742 3.960 0.011 0.000 0.246 63 G HA3 -0.224 3.742 3.960 0.011 0.000 0.246 63 G C -0.148 174.734 174.900 -0.029 0.000 1.322 63 G CA -0.071 44.998 45.100 -0.051 0.000 0.898 63 G HN 0.716 nan 8.290 nan 0.000 0.573 64 L N 1.688 122.902 121.223 -0.016 0.000 2.349 64 L HA 0.404 4.750 4.340 0.011 0.000 0.275 64 L C -1.477 175.398 176.870 0.008 0.000 1.115 64 L CA -1.633 53.208 54.840 0.002 0.000 0.820 64 L CB 0.680 42.740 42.059 0.002 0.000 1.135 64 L HN 0.393 nan 8.230 nan 0.000 0.445 65 P HA 0.009 nan 4.420 nan 0.000 0.271 65 P C 0.450 177.764 177.300 0.023 0.000 1.233 65 P CA -0.381 62.732 63.100 0.021 0.000 0.789 65 P CB 0.663 32.382 31.700 0.031 0.000 0.951 66 E N 0.102 120.312 120.200 0.018 0.000 2.110 66 E HA -0.186 4.170 4.350 0.011 0.000 0.193 66 E C 1.390 178.003 176.600 0.022 0.000 0.988 66 E CA 1.776 58.185 56.400 0.016 0.000 0.804 66 E CB -0.275 29.431 29.700 0.010 0.000 0.745 66 E HN 0.617 nan 8.360 nan 0.000 0.458 67 T N -1.559 113.012 114.554 0.030 0.000 2.720 67 T HA -0.147 4.209 4.350 0.011 0.000 0.268 67 T C 1.960 176.697 174.700 0.062 0.000 1.037 67 T CA 1.381 63.503 62.100 0.037 0.000 1.144 67 T CB -0.618 68.275 68.868 0.043 0.000 0.864 67 T HN 0.021 nan 8.240 nan 0.000 0.444 68 V N 2.840 122.806 119.914 0.087 0.000 2.270 68 V HA -0.157 3.969 4.120 0.011 0.000 0.245 68 V C 3.297 179.471 176.094 0.132 0.000 1.043 68 V CA 2.257 64.650 62.300 0.154 0.000 1.014 68 V CB -1.400 30.493 31.823 0.116 0.000 0.645 68 V HN 0.832 nan 8.190 nan 0.000 0.447 69 T N -2.035 112.551 114.554 0.053 0.000 2.867 69 T HA -0.251 4.106 4.350 0.011 0.000 0.268 69 T C 1.753 176.460 174.700 0.012 0.000 1.057 69 T CA 1.509 63.619 62.100 0.018 0.000 1.136 69 T CB -0.324 68.546 68.868 0.003 0.000 0.874 69 T HN 0.515 nan 8.240 nan 0.000 0.466 70 Q N 0.415 120.218 119.800 0.006 0.000 2.230 70 Q HA 0.067 4.413 4.340 0.011 0.000 0.202 70 Q C 2.312 178.276 176.000 -0.061 0.000 0.963 70 Q CA 0.953 56.746 55.803 -0.016 0.000 0.866 70 Q CB -0.062 28.669 28.738 -0.013 0.000 0.931 70 Q HN 0.598 nan 8.270 nan 0.000 0.452 71 K N -0.175 120.165 120.400 -0.100 0.000 2.166 71 K HA -0.006 4.320 4.320 0.011 0.000 0.201 71 K C -0.277 175.988 176.600 -0.558 0.000 1.052 71 K CA 0.567 56.653 56.287 -0.334 0.000 0.969 71 K CB 0.452 32.717 32.500 -0.391 0.000 0.761 71 K HN -0.020 nan 8.250 nan 0.000 0.459 72 F N 0.738 120.679 119.950 -0.015 0.000 2.531 72 F HA 0.337 4.871 4.527 0.013 0.000 0.333 72 F C -2.171 173.495 175.800 -0.223 0.000 1.292 72 F CA -2.390 55.546 58.000 -0.107 0.000 1.184 72 F CB 1.621 40.383 39.000 -0.397 0.000 1.426 72 F HN -0.039 nan 8.300 nan 0.000 0.559 73 P HA -0.224 nan 4.420 nan 0.000 0.217 73 P C 1.578 178.911 177.300 0.054 0.000 1.148 73 P CA 1.424 64.567 63.100 0.071 0.000 0.828 73 P CB -0.178 31.586 31.700 0.108 0.000 0.783 74 F N -0.796 119.147 119.950 -0.011 0.000 2.771 74 F HA 0.127 4.661 4.527 0.011 0.000 0.299 74 F C 1.186 176.928 175.800 -0.097 0.000 1.177 74 F CA 0.005 57.991 58.000 -0.023 0.000 1.450 74 F CB -1.410 37.589 39.000 -0.003 0.000 1.114 74 F HN -0.045 nan 8.300 nan 0.000 0.587 75 I N -1.885 118.288 120.570 -0.662 0.000 3.621 75 I HA 0.355 4.531 4.170 0.011 0.000 0.325 75 I C 1.129 177.055 176.117 -0.318 0.000 1.554 75 I CA 0.086 60.918 61.300 -0.780 0.000 1.053 75 I CB -0.187 36.843 38.000 -1.617 0.000 1.302 75 I HN 0.030 nan 8.210 nan 0.000 0.518 76 S N -0.639 114.984 115.700 -0.130 0.000 2.603 76 S HA 0.089 4.565 4.470 0.011 0.000 0.229 76 S C 1.311 175.931 174.600 0.032 0.000 0.972 76 S CA 0.721 58.898 58.200 -0.038 0.000 0.935 76 S CB -0.276 62.915 63.200 -0.015 0.000 0.769 76 S HN 0.516 nan 8.310 nan 0.000 0.536 77 S N -0.301 115.466 115.700 0.111 0.000 2.505 77 S HA 0.320 4.797 4.470 0.011 0.000 0.216 77 S C -0.171 174.523 174.600 0.157 0.000 1.018 77 S CA -0.552 57.719 58.200 0.119 0.000 0.911 77 S CB -0.181 63.086 63.200 0.112 0.000 0.818 77 S HN 0.520 nan 8.310 nan 0.000 0.497 78 Y N 3.401 123.676 120.300 -0.042 0.000 2.683 78 Y HA 0.111 4.667 4.550 0.010 0.000 0.340 78 Y C 1.222 177.101 175.900 -0.034 0.000 1.245 78 Y CA -0.359 57.735 58.100 -0.009 0.000 1.485 78 Y CB 0.201 38.668 38.460 0.012 0.000 1.328 78 Y HN 0.032 nan 8.280 nan 0.000 0.603 79 R N 1.492 122.018 120.500 0.044 0.000 2.594 79 R HA 0.542 4.888 4.340 0.011 0.000 0.272 79 R C -0.355 175.835 176.300 -0.183 0.000 1.074 79 R CA -0.298 55.723 56.100 -0.131 0.000 1.105 79 R CB 0.480 30.634 30.300 -0.242 0.000 1.008 79 R HN 0.715 nan 8.270 nan 0.000 0.472 80 A N 2.848 125.453 122.820 -0.358 0.000 2.312 80 A HA 0.672 4.998 4.320 0.011 0.000 0.326 80 A C -1.045 176.191 177.584 -0.581 0.000 1.172 80 A CA -0.483 51.391 52.037 -0.273 0.000 0.821 80 A CB 0.540 19.464 19.000 -0.125 0.000 1.166 80 A HN 0.551 nan 8.150 nan 0.000 0.493 81 F N 0.338 120.303 119.950 0.026 0.000 2.565 81 F HA 0.598 5.133 4.527 0.014 0.000 0.313 81 F C 0.376 176.155 175.800 -0.035 0.000 1.091 81 F CA -0.502 57.495 58.000 -0.005 0.000 0.915 81 F CB 2.186 41.182 39.000 -0.005 0.000 1.208 81 F HN 0.677 nan 8.300 nan 0.000 0.453 82 R N 1.813 122.394 120.500 0.134 0.000 2.312 82 R HA 0.727 5.074 4.340 0.011 0.000 0.311 82 R C -1.679 174.636 176.300 0.025 0.000 1.004 82 R CA -0.489 55.647 56.100 0.061 0.000 0.902 82 R CB 1.285 31.609 30.300 0.041 0.000 1.073 82 R HN 0.568 nan 8.270 nan 0.000 0.457 83 V N 7.340 127.257 119.914 0.006 0.000 2.406 83 V HA 0.277 4.403 4.120 0.011 0.000 0.272 83 V C -1.874 174.231 176.094 0.019 0.000 1.043 83 V CA -1.868 60.420 62.300 -0.020 0.000 0.915 83 V CB 1.098 32.917 31.823 -0.007 0.000 0.988 83 V HN 0.861 nan 8.190 nan 0.000 0.466 84 P HA 0.066 nan 4.420 nan 0.000 0.269 84 P C 0.833 178.148 177.300 0.024 0.000 1.211 84 P CA 0.220 63.324 63.100 0.007 0.000 0.781 84 P CB 0.493 32.187 31.700 -0.010 0.000 0.877 85 S N 0.216 115.928 115.700 0.019 0.000 2.406 85 S HA -0.124 4.352 4.470 0.011 0.000 0.228 85 S C 1.863 176.474 174.600 0.020 0.000 1.020 85 S CA 1.360 59.573 58.200 0.022 0.000 0.965 85 S CB -0.790 62.418 63.200 0.014 0.000 0.798 85 S HN 0.693 nan 8.310 nan 0.000 0.488 86 S N 1.195 116.903 115.700 0.012 0.000 2.442 86 S HA -0.019 4.457 4.470 0.011 0.000 0.236 86 S C 0.752 175.363 174.600 0.017 0.000 1.007 86 S CA 0.234 58.440 58.200 0.010 0.000 0.965 86 S CB -0.645 62.556 63.200 0.002 0.000 0.773 86 S HN 0.199 nan 8.310 nan 0.000 0.504 87 V N 3.282 123.212 119.914 0.027 0.000 2.479 87 V HA 0.181 4.308 4.120 0.011 0.000 0.281 87 V C 0.155 176.287 176.094 0.064 0.000 1.031 87 V CA -0.266 62.062 62.300 0.046 0.000 1.038 87 V CB 0.759 32.619 31.823 0.062 0.000 0.981 87 V HN 0.365 nan 8.190 nan 0.000 0.478 88 D N 4.890 125.324 120.400 0.057 0.000 2.422 88 D HA 0.167 4.813 4.640 0.011 0.000 0.227 88 D C 0.849 177.192 176.300 0.071 0.000 1.190 88 D CA -0.063 53.967 54.000 0.049 0.000 0.905 88 D CB 1.396 42.214 40.800 0.031 0.000 1.034 88 D HN 0.236 nan 8.370 nan 0.000 0.507 89 V N 4.109 124.066 119.914 0.071 0.000 2.358 89 V HA -0.216 3.910 4.120 0.011 0.000 0.246 89 V C 2.493 178.586 176.094 -0.001 0.000 1.047 89 V CA 1.937 64.266 62.300 0.050 0.000 1.035 89 V CB -0.804 31.010 31.823 -0.016 0.000 0.658 89 V HN 0.667 nan 8.190 nan 0.000 0.452 90 A N -0.482 122.362 122.820 0.041 0.000 1.978 90 A HA -0.219 4.107 4.320 0.011 0.000 0.220 90 A C 2.457 180.062 177.584 0.036 0.000 1.170 90 A CA 2.358 54.477 52.037 0.137 0.000 0.636 90 A CB -0.551 18.541 19.000 0.153 0.000 0.810 90 A HN 0.508 nan 8.150 nan 0.000 0.448 91 S N -0.708 115.004 115.700 0.021 0.000 2.425 91 S HA 0.121 4.597 4.470 0.011 0.000 0.225 91 S C 1.726 176.332 174.600 0.011 0.000 1.024 91 S CA 0.676 58.881 58.200 0.009 0.000 0.951 91 S CB -0.229 62.981 63.200 0.017 0.000 0.796 91 S HN 0.521 nan 8.310 nan 0.000 0.498 92 L N 1.647 122.892 121.223 0.036 0.000 2.109 92 L HA -0.024 4.322 4.340 0.011 0.000 0.207 92 L C 2.338 179.226 176.870 0.031 0.000 1.086 92 L CA 0.929 55.812 54.840 0.071 0.000 0.760 92 L CB -0.820 41.356 42.059 0.196 0.000 0.910 92 L HN 0.301 nan 8.230 nan 0.000 0.437 93 V N -2.964 116.920 119.914 -0.051 0.000 3.026 93 V HA -0.191 3.936 4.120 0.011 0.000 0.265 93 V C 1.930 177.968 176.094 -0.092 0.000 1.121 93 V CA 1.348 63.582 62.300 -0.109 0.000 1.142 93 V CB -0.912 30.787 31.823 -0.205 0.000 0.730 93 V HN 0.427 nan 8.190 nan 0.000 0.503 94 K N -0.439 119.919 120.400 -0.071 0.000 2.323 94 K HA 0.205 4.531 4.320 0.011 0.000 0.197 94 K C 0.903 177.478 176.600 -0.042 0.000 1.043 94 K CA 0.498 56.752 56.287 -0.055 0.000 0.997 94 K CB 0.083 32.562 32.500 -0.036 0.000 0.807 94 K HN 0.546 nan 8.250 nan 0.000 0.497 95 C N 1.281 120.548 119.300 -0.055 0.000 2.345 95 C HA 0.193 4.659 4.460 0.011 0.000 0.369 95 C C 0.545 175.387 174.990 -0.246 0.000 1.273 95 C CA -1.034 57.926 59.018 -0.097 0.000 2.310 95 C CB 0.747 28.459 27.740 -0.045 0.000 2.219 95 C HN 0.402 nan 8.230 nan 0.000 0.587 96 Q N 0.519 120.085 119.800 -0.390 0.000 2.314 96 Q HA 0.565 4.911 4.340 0.011 0.000 0.258 96 Q C -1.564 174.270 176.000 -0.276 0.000 0.954 96 Q CA 0.231 55.636 55.803 -0.664 0.000 0.890 96 Q CB 0.407 28.751 28.738 -0.657 0.000 1.210 96 Q HN 0.615 nan 8.270 nan 0.000 0.410 97 L N 4.505 125.599 121.223 -0.215 0.000 2.408 97 L HA 0.676 5.022 4.340 0.011 0.000 0.268 97 L C -0.596 176.237 176.870 -0.062 0.000 0.986 97 L CA -0.978 53.821 54.840 -0.070 0.000 0.820 97 L CB 1.933 43.997 42.059 0.008 0.000 1.303 97 L HN 0.556 nan 8.230 nan 0.000 0.411 98 V N 0.525 120.417 119.914 -0.037 0.000 3.167 98 V HA 0.820 4.947 4.120 0.011 0.000 0.310 98 V C -0.931 175.116 176.094 -0.078 0.000 1.207 98 V CA -0.774 61.482 62.300 -0.074 0.000 1.059 98 V CB 2.471 34.258 31.823 -0.060 0.000 1.079 98 V HN 0.412 nan 8.190 nan 0.000 0.446 99 V N 0.406 120.201 119.914 -0.199 0.000 2.808 99 V HA 0.946 5.072 4.120 0.011 0.000 0.308 99 V C 0.057 176.058 176.094 -0.154 0.000 1.099 99 V CA 0.234 62.385 62.300 -0.248 0.000 0.920 99 V CB 1.684 33.150 31.823 -0.594 0.000 1.014 99 V HN 1.593 nan 8.190 nan 0.000 0.425 100 A N 2.946 125.820 122.820 0.090 0.000 2.469 100 A HA 0.960 5.287 4.320 0.011 0.000 0.299 100 A C -0.467 177.265 177.584 0.247 0.000 1.098 100 A CA -0.517 51.638 52.037 0.197 0.000 0.737 100 A CB 2.102 21.187 19.000 0.142 0.000 1.312 100 A HN 0.704 nan 8.150 nan 0.000 0.414 101 S N -1.107 114.730 115.700 0.229 0.000 2.648 101 S HA 0.962 5.439 4.470 0.011 0.000 0.305 101 S C -0.424 174.212 174.600 0.061 0.000 1.094 101 S CA 0.239 58.505 58.200 0.111 0.000 0.983 101 S CB 1.359 64.567 63.200 0.014 0.000 1.101 101 S HN 1.825 nan 8.310 nan 0.000 0.514 111 V N 2.163 122.182 119.914 0.175 0.000 2.769 111 V HA 0.935 5.061 4.120 0.011 0.000 0.312 111 V C 0.137 176.268 176.094 0.061 0.000 1.061 111 V CA -0.469 61.891 62.300 0.100 0.000 0.931 111 V CB 1.986 33.814 31.823 0.007 0.000 1.010 111 V HN 0.695 nan 8.190 nan 0.000 0.433 112 T N 1.574 116.073 114.554 -0.091 0.000 2.802 112 T HA 0.650 5.007 4.350 0.011 0.000 0.311 112 T C -0.128 174.440 174.700 -0.220 0.000 1.405 112 T CA 0.263 62.287 62.100 -0.127 0.000 1.016 112 T CB 1.743 70.546 68.868 -0.108 0.000 1.352 112 T HN 1.102 nan 8.240 nan 0.000 0.498 113 G N 0.913 109.628 108.800 -0.141 0.000 2.535 113 G HA2 0.637 4.603 3.960 0.011 0.000 0.303 113 G HA3 0.637 4.603 3.960 0.011 0.000 0.303 113 G C -1.385 173.407 174.900 -0.180 0.000 1.237 113 G CA -0.546 44.482 45.100 -0.119 0.000 0.986 113 G HN 0.597 nan 8.290 nan 0.000 0.494 114 L N -0.411 120.747 121.223 -0.108 0.000 2.346 114 L HA 0.366 4.712 4.340 0.011 0.000 0.276 114 L C 0.168 177.002 176.870 -0.059 0.000 1.006 114 L CA -0.381 54.396 54.840 -0.105 0.000 0.817 114 L CB 2.111 44.167 42.059 -0.005 0.000 1.272 114 L HN 0.487 nan 8.230 nan 0.000 0.421 115 Q N 3.202 122.903 119.800 -0.164 0.000 2.274 115 Q HA 0.383 4.729 4.340 0.011 0.000 0.256 115 Q C 0.290 176.307 176.000 0.027 0.000 0.927 115 Q CA -0.241 55.490 55.803 -0.120 0.000 0.939 115 Q CB 1.765 30.290 28.738 -0.354 0.000 1.201 115 Q HN 0.613 nan 8.270 nan 0.000 0.426 116 L N 3.007 124.277 121.223 0.078 0.000 2.513 116 L HA 0.089 4.436 4.340 0.011 0.000 0.222 116 L C -1.079 175.852 176.870 0.101 0.000 1.096 116 L CA -0.453 54.445 54.840 0.097 0.000 0.857 116 L CB -0.873 41.218 42.059 0.054 0.000 1.026 116 L HN 0.432 nan 8.230 nan 0.000 0.469 117 P HA -0.231 nan 4.420 nan 0.000 0.218 117 P C 1.722 179.127 177.300 0.174 0.000 1.154 117 P CA 2.151 65.292 63.100 0.068 0.000 0.872 117 P CB -0.139 31.228 31.700 -0.554 0.000 0.790 118 G N -0.462 108.429 108.800 0.152 0.000 2.545 118 G HA2 -0.303 3.663 3.960 0.011 0.000 0.217 118 G HA3 -0.303 3.663 3.960 0.011 0.000 0.217 118 G C 1.743 176.743 174.900 0.166 0.000 1.218 118 G CA 1.099 46.332 45.100 0.222 0.000 0.787 118 G HN 0.346 nan 8.290 nan 0.000 0.571 119 V N 0.782 120.724 119.914 0.047 0.000 2.515 119 V HA -0.002 4.124 4.120 0.011 0.000 0.250 119 V C 2.876 178.947 176.094 -0.038 0.000 1.058 119 V CA 1.532 63.758 62.300 -0.124 0.000 1.064 119 V CB -0.265 31.162 31.823 -0.661 0.000 0.675 119 V HN 0.419 nan 8.190 nan 0.000 0.461 120 L N -0.111 121.168 121.223 0.093 0.000 2.042 120 L HA -0.182 4.164 4.340 0.011 0.000 0.210 120 L C 2.403 179.501 176.870 0.380 0.000 1.076 120 L CA 2.123 57.139 54.840 0.293 0.000 0.749 120 L CB -0.793 41.416 42.059 0.250 0.000 0.893 120 L HN 0.339 nan 8.230 nan 0.000 0.432 121 D N -0.402 120.186 120.400 0.313 0.000 2.123 121 D HA -0.189 4.458 4.640 0.011 0.000 0.200 121 D C 1.778 178.102 176.300 0.041 0.000 0.976 121 D CA 1.198 55.328 54.000 0.217 0.000 0.831 121 D CB -0.203 40.756 40.800 0.265 0.000 0.974 121 D HN 0.266 nan 8.370 nan 0.000 0.469 122 D N -0.666 119.754 120.400 0.034 0.000 2.149 122 D HA -0.104 4.542 4.640 0.011 0.000 0.198 122 D C 1.807 178.015 176.300 -0.153 0.000 0.990 122 D CA 1.085 55.059 54.000 -0.043 0.000 0.839 122 D CB 0.127 40.917 40.800 -0.015 0.000 0.948 122 D HN 0.145 nan 8.370 nan 0.000 0.460 123 M N -1.866 117.579 119.600 -0.259 0.000 2.571 123 M HA 0.152 4.639 4.480 0.011 0.000 0.259 123 M C 0.332 176.221 176.300 -0.685 0.000 1.205 123 M CA 0.136 55.081 55.300 -0.591 0.000 1.138 123 M CB 0.775 32.782 32.600 -0.989 0.000 1.329 123 M HN -0.059 nan 8.290 nan 0.000 0.503 124 F N 0.142 120.116 119.950 0.041 0.000 2.724 124 F HA 0.443 4.975 4.527 0.009 0.000 0.310 124 F C 0.956 176.933 175.800 0.294 0.000 1.107 124 F CA -0.961 57.140 58.000 0.170 0.000 1.218 124 F CB -0.205 38.890 39.000 0.158 0.000 1.042 124 F HN -0.141 nan 8.300 nan 0.000 0.540 125 A N 0.914 123.797 122.820 0.106 0.000 2.561 125 A HA 0.108 4.434 4.320 0.011 0.000 0.251 125 A C -0.964 176.593 177.584 -0.045 0.000 1.062 125 A CA 0.586 52.466 52.037 -0.261 0.000 0.761 125 A CB -0.673 17.778 19.000 -0.914 0.000 0.986 125 A HN 0.408 nan 8.150 nan 0.000 0.510 126 Y N 2.318 122.578 120.300 -0.067 0.000 2.409 126 Y HA 0.480 5.037 4.550 0.011 0.000 0.343 126 Y C 1.038 177.004 175.900 0.111 0.000 0.973 126 Y CA -0.030 58.099 58.100 0.050 0.000 1.064 126 Y CB 2.142 40.678 38.460 0.127 0.000 1.207 126 Y HN 0.677 nan 8.280 nan 0.000 0.452 127 T N 0.564 114.802 114.554 -0.527 0.000 3.043 127 T HA 0.387 4.743 4.350 0.011 0.000 0.272 127 T C 0.738 175.050 174.700 -0.647 0.000 0.990 127 T CA 0.207 62.078 62.100 -0.382 0.000 0.897 127 T CB -0.212 68.582 68.868 -0.124 0.000 1.111 127 T HN 0.783 nan 8.240 nan 0.000 0.529 128 G N 2.384 110.335 108.800 -1.416 0.000 2.621 128 G HA2 0.529 4.495 3.960 0.011 0.000 0.271 128 G HA3 0.529 4.495 3.960 0.011 0.000 0.271 128 G C -2.694 171.929 174.900 -0.461 0.000 1.236 128 G CA -1.513 43.069 45.100 -0.864 0.000 0.958 128 G HN 0.149 nan 8.290 nan 0.000 0.512 129 P HA 0.150 nan 4.420 nan 0.000 0.262 129 P C -0.456 176.765 177.300 -0.133 0.000 1.182 129 P CA 0.463 63.436 63.100 -0.211 0.000 0.761 129 P CB 0.474 31.966 31.700 -0.346 0.000 0.795 130 L N 2.431 123.562 121.223 -0.154 0.000 2.341 130 L HA 0.710 5.056 4.340 0.011 0.000 0.267 130 L C 1.070 177.843 176.870 -0.161 0.000 1.009 130 L CA -0.319 54.403 54.840 -0.197 0.000 0.819 130 L CB 1.884 43.551 42.059 -0.654 0.000 1.323 130 L HN 0.690 nan 8.230 nan 0.000 0.425 131 G N 1.693 110.537 108.800 0.072 0.000 2.498 131 G HA2 -0.098 3.868 3.960 0.011 0.000 0.245 131 G HA3 -0.098 3.868 3.960 0.011 0.000 0.245 131 G C -0.487 174.562 174.900 0.248 0.000 1.204 131 G CA -0.133 45.116 45.100 0.249 0.000 0.933 131 G HN 1.026 nan 8.290 nan 0.000 0.574 132 A N -0.784 122.151 122.820 0.191 0.000 2.276 132 A HA 0.743 5.069 4.320 0.011 0.000 0.316 132 A C -0.031 177.520 177.584 -0.055 0.000 1.229 132 A CA 0.121 52.166 52.037 0.014 0.000 0.851 132 A CB 1.437 20.402 19.000 -0.058 0.000 1.165 132 A HN 1.765 nan 8.150 nan 0.000 0.513 133 V N 2.659 122.497 119.914 -0.127 0.000 2.513 133 V HA 0.538 4.664 4.120 0.011 0.000 0.299 133 V C -0.859 175.062 176.094 -0.288 0.000 1.035 133 V CA -0.284 61.973 62.300 -0.071 0.000 0.889 133 V CB 1.236 33.104 31.823 0.074 0.000 0.988 133 V HN 0.736 nan 8.190 nan 0.000 0.440 134 F N 1.659 121.637 119.950 0.047 0.000 2.495 134 F HA 0.717 5.250 4.527 0.011 0.000 0.327 134 F C 0.571 176.375 175.800 0.007 0.000 1.103 134 F CA -0.166 57.844 58.000 0.017 0.000 0.949 134 F CB 2.266 41.265 39.000 -0.001 0.000 1.142 134 F HN 0.419 nan 8.300 nan 0.000 0.457 135 S N 0.349 116.148 115.700 0.165 0.000 2.632 135 S HA 0.480 4.956 4.470 0.011 0.000 0.289 135 S C 0.812 175.454 174.600 0.070 0.000 1.115 135 S CA -0.200 58.053 58.200 0.088 0.000 0.889 135 S CB 1.630 64.852 63.200 0.036 0.000 1.116 135 S HN 0.726 nan 8.310 nan 0.000 0.486 136 E N 0.205 120.429 120.200 0.039 0.000 2.331 136 E HA -0.087 4.270 4.350 0.011 0.000 0.199 136 E C 1.094 177.697 176.600 0.006 0.000 1.008 136 E CA 2.048 58.460 56.400 0.020 0.000 0.843 136 E CB -1.292 28.413 29.700 0.009 0.000 0.761 136 E HN 0.846 nan 8.360 nan 0.000 0.507 137 D N -1.076 119.321 120.400 -0.005 0.000 2.479 137 D HA 0.376 5.022 4.640 0.011 0.000 0.221 137 D C 1.182 177.444 176.300 -0.064 0.000 1.104 137 D CA 0.967 54.948 54.000 -0.032 0.000 0.849 137 D CB 0.312 nan 40.800 nan 0.000 1.072 137 D HN 0.772 nan 8.370 nan 0.000 0.502 138 S N -1.744 113.923 115.700 -0.055 0.000 2.688 138 S HA 0.696 5.172 4.470 0.011 0.000 0.275 138 S C -1.604 172.937 174.600 -0.099 0.000 1.175 138 S CA -0.448 57.676 58.200 -0.125 0.000 0.818 138 S CB 1.924 65.028 63.200 -0.160 0.000 1.157 138 S HN 0.572 nan 8.310 nan 0.000 0.482 139 V N 1.148 120.938 119.914 -0.207 0.000 2.733 139 V HA 0.753 4.879 4.120 0.011 0.000 0.306 139 V C -0.747 175.225 176.094 -0.203 0.000 1.084 139 V CA -0.457 61.702 62.300 -0.234 0.000 0.905 139 V CB 1.879 33.613 31.823 -0.148 0.000 1.010 139 V HN 1.005 nan 8.190 nan 0.000 0.424 140 S N 4.699 120.287 115.700 -0.186 0.000 2.542 140 S HA 0.831 5.308 4.470 0.011 0.000 0.293 140 S C -0.867 173.644 174.600 -0.149 0.000 1.089 140 S CA -0.654 57.470 58.200 -0.126 0.000 0.961 140 S CB 1.810 64.978 63.200 -0.053 0.000 1.062 140 S HN 0.529 nan 8.310 nan 0.000 0.483 141 L N 3.134 124.225 121.223 -0.220 0.000 2.362 141 L HA 0.619 4.965 4.340 0.011 0.000 0.271 141 L C -0.745 175.907 176.870 -0.362 0.000 1.002 141 L CA -0.712 54.048 54.840 -0.133 0.000 0.818 141 L CB 1.444 43.508 42.059 0.008 0.000 1.298 141 L HN 0.605 nan 8.230 nan 0.000 0.420 142 H N 3.767 122.933 119.070 0.160 0.000 2.782 142 H HA 0.496 5.059 4.556 0.010 0.000 0.347 142 H C -1.443 173.936 175.328 0.084 0.000 1.038 142 H CA -0.672 55.442 56.048 0.110 0.000 1.255 142 H CB 3.092 32.906 29.762 0.088 0.000 1.623 142 H HN 0.280 nan 8.280 nan 0.000 0.525 143 L N 2.958 124.256 121.223 0.125 0.000 2.409 143 L HA 0.307 4.653 4.340 0.011 0.000 0.272 143 L C -1.446 175.507 176.870 0.139 0.000 0.980 143 L CA -0.683 54.166 54.840 0.015 0.000 0.826 143 L CB 1.771 43.582 42.059 -0.414 0.000 1.268 143 L HN 0.595 nan 8.230 nan 0.000 0.407 144 W N 6.467 127.770 121.300 0.004 0.000 2.481 144 W HA 0.610 5.277 4.660 0.011 0.000 0.320 144 W C -0.336 176.190 176.519 0.011 0.000 1.209 144 W CA -0.154 57.185 57.345 -0.009 0.000 1.400 144 W CB 1.058 30.549 29.460 0.052 0.000 1.361 144 W HN 0.719 nan 8.180 nan 0.000 0.456 145 A N 8.331 130.947 122.820 -0.341 0.000 3.307 145 A HA 0.316 4.642 4.320 0.011 0.000 0.289 145 A C -2.090 175.239 177.584 -0.426 0.000 1.138 145 A CA -0.844 50.979 52.037 -0.356 0.000 0.860 145 A CB 0.537 19.430 19.000 -0.178 0.000 1.318 145 A HN 0.401 nan 8.150 nan 0.000 0.551 146 P HA -0.129 nan 4.420 nan 0.000 0.220 146 P C 1.638 178.541 177.300 -0.662 0.000 1.148 146 P CA 2.191 64.638 63.100 -1.089 0.000 0.803 146 P CB 0.092 30.832 31.700 -1.600 0.000 0.782 147 T N -4.040 110.233 114.554 -0.468 0.000 3.067 147 T HA 0.323 4.679 4.350 0.011 0.000 0.257 147 T C 1.006 175.623 174.700 -0.139 0.000 1.105 147 T CA -0.026 61.916 62.100 -0.262 0.000 1.104 147 T CB -0.707 68.044 68.868 -0.195 0.000 0.925 147 T HN 0.026 nan 8.240 nan 0.000 0.498 148 A N 1.450 124.201 122.820 -0.115 0.000 2.498 148 A HA 0.273 4.600 4.320 0.011 0.000 0.239 148 A C 1.221 178.836 177.584 0.052 0.000 1.068 148 A CA -0.322 51.662 52.037 -0.087 0.000 0.766 148 A CB 0.205 19.051 19.000 -0.256 0.000 1.003 148 A HN 0.527 nan 8.150 nan 0.000 0.497 149 Q N 0.770 120.562 119.800 -0.013 0.000 2.376 149 Q HA 0.240 4.586 4.340 0.011 0.000 0.206 149 Q C 0.703 176.735 176.000 0.053 0.000 0.921 149 Q CA 0.709 56.549 55.803 0.060 0.000 0.911 149 Q CB 0.531 29.283 28.738 0.025 0.000 1.032 149 Q HN 0.923 nan 8.270 nan 0.000 0.510 150 G N -0.094 108.562 108.800 -0.239 0.000 2.752 150 G HA2 0.467 4.433 3.960 0.011 0.000 0.298 150 G HA3 0.467 4.433 3.960 0.011 0.000 0.298 150 G C -1.680 172.753 174.900 -0.778 0.000 1.434 150 G CA -0.399 44.430 45.100 -0.451 0.000 1.004 150 G HN -0.063 nan 8.290 nan 0.000 0.560 151 V N 0.965 120.227 119.914 -1.086 0.000 2.638 151 V HA 0.831 4.957 4.120 0.011 0.000 0.306 151 V C -0.048 175.861 176.094 -0.308 0.000 1.052 151 V CA -0.617 61.229 62.300 -0.756 0.000 0.885 151 V CB 1.793 32.938 31.823 -1.130 0.000 0.999 151 V HN 0.871 nan 8.190 nan 0.000 0.424 152 S N 1.999 117.607 115.700 -0.152 0.000 2.667 152 S HA 0.758 5.234 4.470 0.011 0.000 0.292 152 S C -1.060 173.506 174.600 -0.058 0.000 1.126 152 S CA -0.618 57.540 58.200 -0.070 0.000 0.881 152 S CB 2.355 65.509 63.200 -0.076 0.000 1.132 152 S HN 0.702 nan 8.310 nan 0.000 0.492 153 V N 1.191 121.001 119.914 -0.173 0.000 2.487 153 V HA 0.514 4.640 4.120 0.011 0.000 0.298 153 V C -0.953 174.797 176.094 -0.574 0.000 1.028 153 V CA -0.448 61.597 62.300 -0.425 0.000 0.860 153 V CB 0.437 31.835 31.823 -0.709 0.000 0.991 153 V HN 1.040 nan 8.190 nan 0.000 0.427 154 C N 7.409 126.401 119.300 -0.513 0.000 2.369 154 C HA 0.607 5.073 4.460 0.011 0.000 0.358 154 C C -0.198 174.302 174.990 -0.817 0.000 1.274 154 C CA -0.608 58.069 59.018 -0.569 0.000 1.935 154 C CB -0.228 27.260 27.740 -0.420 0.000 2.431 154 C HN 0.732 nan 8.230 nan 0.000 0.545 155 F N 2.684 122.290 119.950 -0.574 0.000 2.443 155 F HA 0.685 5.218 4.527 0.011 0.000 0.335 155 F C 0.050 175.472 175.800 -0.630 0.000 1.104 155 F CA -0.430 57.290 58.000 -0.466 0.000 1.013 155 F CB 0.764 39.523 39.000 -0.402 0.000 1.136 155 F HN 0.421 nan 8.300 nan 0.000 0.470 156 F N 0.666 120.766 119.950 0.251 0.000 2.561 156 F HA 0.312 4.845 4.527 0.010 0.000 0.321 156 F C 0.865 176.806 175.800 0.234 0.000 1.065 156 F CA -0.837 57.273 58.000 0.182 0.000 0.934 156 F CB 1.246 40.321 39.000 0.125 0.000 1.215 156 F HN 0.323 nan 8.300 nan 0.000 0.471 157 D N 0.043 120.649 120.400 0.344 0.000 2.305 157 D HA 0.225 4.871 4.640 0.011 0.000 0.206 157 D C 0.644 177.135 176.300 0.318 0.000 0.974 157 D CA 0.785 54.950 54.000 0.275 0.000 0.871 157 D CB 0.394 41.295 40.800 0.169 0.000 0.947 157 D HN 0.660 nan 8.370 nan 0.000 0.516 158 G N -0.938 108.004 108.800 0.237 0.000 2.866 158 G HA2 0.381 4.347 3.960 0.011 0.000 0.289 158 G HA3 0.381 4.347 3.960 0.011 0.000 0.289 158 G C -2.229 172.418 174.900 -0.422 0.000 1.396 158 G CA -0.870 44.253 45.100 0.037 0.000 0.848 158 G HN -0.262 nan 8.290 nan 0.000 0.515 159 P HA 0.108 nan 4.420 nan 0.000 0.221 159 P C 1.008 177.993 177.300 -0.524 0.000 1.150 159 P CA 1.805 64.352 63.100 -0.923 0.000 0.800 159 P CB 0.481 31.782 31.700 -0.665 0.000 0.787 160 A N -1.585 121.034 122.820 -0.334 0.000 2.600 160 A HA 0.501 4.827 4.320 0.011 0.000 0.252 160 A C 1.176 178.677 177.584 -0.138 0.000 1.200 160 A CA 0.084 51.978 52.037 -0.238 0.000 0.981 160 A CB -0.441 18.451 19.000 -0.181 0.000 1.207 160 A HN 0.199 nan 8.150 nan 0.000 0.577 161 G N 1.017 109.770 108.800 -0.079 0.000 2.636 161 G HA2 0.455 4.422 3.960 0.011 0.000 0.246 161 G HA3 0.455 4.422 3.960 0.011 0.000 0.246 161 G C -2.558 172.426 174.900 0.140 0.000 1.216 161 G CA -0.762 44.361 45.100 0.038 0.000 0.854 161 G HN 0.172 nan 8.290 nan 0.000 0.572 162 P HA 0.339 nan 4.420 nan 0.000 0.272 162 P C -0.072 177.407 177.300 0.297 0.000 1.240 162 P CA -0.251 62.971 63.100 0.203 0.000 0.791 162 P CB 0.589 32.350 31.700 0.102 0.000 0.978 163 A N 1.717 124.666 122.820 0.214 0.000 2.492 163 A HA 0.116 4.442 4.320 0.011 0.000 0.254 163 A C 1.089 178.618 177.584 -0.092 0.000 1.091 163 A CA 0.116 52.063 52.037 -0.150 0.000 0.768 163 A CB -0.830 18.046 19.000 -0.207 0.000 1.028 163 A HN 0.599 nan 8.150 nan 0.000 0.498 164 L N 0.891 122.039 121.223 -0.125 0.000 2.357 164 L HA 0.270 4.617 4.340 0.011 0.000 0.211 164 L C 1.021 177.869 176.870 -0.037 0.000 1.075 164 L CA 0.723 55.541 54.840 -0.037 0.000 0.830 164 L CB 0.109 42.169 42.059 0.003 0.000 0.996 164 L HN 0.889 nan 8.230 nan 0.000 0.467 165 E N -0.940 119.222 120.200 -0.064 0.000 2.375 165 E HA 0.275 4.632 4.350 0.011 0.000 0.280 165 E C -1.480 175.098 176.600 -0.037 0.000 0.972 165 E CA -0.379 56.018 56.400 -0.005 0.000 0.782 165 E CB 2.293 32.030 29.700 0.061 0.000 1.229 165 E HN -0.230 nan 8.360 nan 0.000 0.439 166 T N 2.087 116.627 114.554 -0.023 0.000 2.812 166 T HA 0.498 4.855 4.350 0.011 0.000 0.282 166 T C -1.135 173.570 174.700 0.009 0.000 0.990 166 T CA -0.486 61.577 62.100 -0.061 0.000 0.960 166 T CB 1.281 70.106 68.868 -0.071 0.000 0.948 166 T HN 0.227 nan 8.240 nan 0.000 0.438 167 V N 3.783 123.698 119.914 0.000 0.000 2.588 167 V HA 0.408 4.534 4.120 0.011 0.000 0.304 167 V C -0.021 176.105 176.094 0.053 0.000 1.042 167 V CA -1.083 61.269 62.300 0.087 0.000 0.877 167 V CB 1.914 33.880 31.823 0.238 0.000 0.996 167 V HN 0.809 nan 8.190 nan 0.000 0.425 168 Q N 2.624 122.469 119.800 0.075 0.000 2.340 168 Q HA 0.501 4.847 4.340 0.011 0.000 0.249 168 Q C -1.268 174.807 176.000 0.126 0.000 0.957 168 Q CA -0.495 55.355 55.803 0.077 0.000 0.882 168 Q CB 1.398 30.184 28.738 0.079 0.000 1.235 168 Q HN 0.447 nan 8.270 nan 0.000 0.439 169 L N 2.116 123.436 121.223 0.161 0.000 2.325 169 L HA 0.372 4.719 4.340 0.011 0.000 0.278 169 L C -0.186 176.905 176.870 0.368 0.000 1.023 169 L CA -0.143 54.846 54.840 0.247 0.000 0.811 169 L CB 1.408 43.633 42.059 0.276 0.000 1.249 169 L HN 0.362 nan 8.230 nan 0.000 0.431 170 K N 1.875 122.408 120.400 0.222 0.000 2.172 170 K HA 0.298 4.624 4.320 0.011 0.000 0.276 170 K C -0.516 176.008 176.600 -0.127 0.000 1.013 170 K CA -0.553 55.784 56.287 0.084 0.000 0.913 170 K CB 1.377 33.886 32.500 0.014 0.000 1.055 170 K HN 0.536 nan 8.250 nan 0.000 0.461 171 E N 1.650 121.509 120.200 -0.567 0.000 2.227 171 E HA 0.090 4.447 4.350 0.011 0.000 0.282 171 E C -1.252 175.008 176.600 -0.566 0.000 1.015 171 E CA -0.237 55.505 56.400 -1.096 0.000 0.823 171 E CB 1.223 29.663 29.700 -2.101 0.000 1.081 171 E HN 0.355 nan 8.360 nan 0.000 0.396 172 S N 5.012 120.449 115.700 -0.438 0.000 2.664 172 S HA 0.236 4.712 4.470 0.011 0.000 0.262 172 S C -0.987 173.500 174.600 -0.188 0.000 1.229 172 S CA -0.607 57.452 58.200 -0.235 0.000 1.151 172 S CB -0.033 63.094 63.200 -0.121 0.000 1.054 172 S HN 0.704 nan 8.310 nan 0.000 0.483 173 N N 3.003 121.626 118.700 -0.129 0.000 2.746 173 N HA -0.162 4.584 4.740 0.011 0.000 0.250 173 N C 0.812 176.323 175.510 0.001 0.000 1.055 173 N CA 1.369 54.448 53.050 0.048 0.000 0.699 173 N CB -1.529 37.014 38.487 0.093 0.000 0.919 173 N HN 1.437 nan 8.380 nan 0.000 0.548 174 G N -2.540 106.047 108.800 -0.357 0.000 2.189 174 G HA2 -0.333 3.634 3.960 0.011 0.000 0.267 174 G HA3 -0.333 3.634 3.960 0.011 0.000 0.267 174 G C 0.041 174.565 174.900 -0.627 0.000 0.975 174 G CA 0.586 45.251 45.100 -0.726 0.000 0.644 174 G HN 0.596 nan 8.290 nan 0.000 0.537 175 V N 0.236 119.854 119.914 -0.494 0.000 2.384 175 V HA 0.638 4.764 4.120 0.011 0.000 0.287 175 V C -0.149 175.734 176.094 -0.351 0.000 1.020 175 V CA -0.935 61.145 62.300 -0.367 0.000 0.850 175 V CB 1.064 32.576 31.823 -0.518 0.000 0.987 175 V HN 0.299 nan 8.190 nan 0.000 0.436 176 W N 2.913 124.114 121.300 -0.166 0.000 2.390 176 W HA 0.703 5.369 4.660 0.009 0.000 0.312 176 W C 0.454 176.933 176.519 -0.067 0.000 1.123 176 W CA -0.074 57.203 57.345 -0.112 0.000 1.202 176 W CB 1.407 30.788 29.460 -0.132 0.000 1.251 176 W HN 0.464 nan 8.180 nan 0.000 0.511 177 S N 1.381 117.162 115.700 0.134 0.000 2.595 177 S HA 0.783 5.259 4.470 0.011 0.000 0.281 177 S C -1.414 173.204 174.600 0.030 0.000 1.117 177 S CA -0.884 57.318 58.200 0.002 0.000 0.873 177 S CB 2.304 65.506 63.200 0.004 0.000 1.108 177 S HN 0.342 nan 8.310 nan 0.000 0.477 178 V N 1.273 121.167 119.914 -0.032 0.000 3.098 178 V HA 0.685 4.811 4.120 0.011 0.000 0.294 178 V C -1.600 174.496 176.094 0.004 0.000 1.351 178 V CA -0.183 62.149 62.300 0.054 0.000 0.999 178 V CB 2.382 34.319 31.823 0.190 0.000 1.104 178 V HN 0.943 nan 8.190 nan 0.000 0.438 179 T N 4.157 118.676 114.554 -0.058 0.000 2.863 179 T HA 0.879 5.236 4.350 0.011 0.000 0.285 179 T C -0.083 174.316 174.700 -0.501 0.000 1.009 179 T CA 0.074 62.048 62.100 -0.209 0.000 0.989 179 T CB 1.577 70.351 68.868 -0.156 0.000 1.004 179 T HN 1.272 nan 8.240 nan 0.000 0.455 180 G N 2.150 110.377 108.800 -0.955 0.000 2.733 180 G HA2 0.781 4.748 3.960 0.011 0.000 0.288 180 G HA3 0.781 4.748 3.960 0.011 0.000 0.288 180 G C -3.059 171.209 174.900 -1.053 0.000 1.373 180 G CA -1.689 42.467 45.100 -1.573 0.000 0.895 180 G HN 0.466 nan 8.290 nan 0.000 0.479 181 P HA 0.066 nan 4.420 nan 0.000 0.270 181 P C 0.354 177.431 177.300 -0.371 0.000 1.227 181 P CA -0.283 62.530 63.100 -0.480 0.000 0.788 181 P CB 1.355 32.850 31.700 -0.341 0.000 0.926 182 R N 0.666 121.068 120.500 -0.162 0.000 2.280 182 R HA -0.103 4.244 4.340 0.011 0.000 0.207 182 R C 1.142 177.459 176.300 0.028 0.000 1.043 182 R CA 0.950 57.030 56.100 -0.034 0.000 1.006 182 R CB -0.073 30.228 30.300 0.002 0.000 0.885 182 R HN 0.421 nan 8.270 nan 0.000 0.467 183 E N -1.081 119.118 120.200 -0.002 0.000 2.472 183 E HA -0.161 4.195 4.350 0.011 0.000 0.200 183 E C 0.839 177.536 176.600 0.162 0.000 1.046 183 E CA 0.544 56.981 56.400 0.061 0.000 0.871 183 E CB -0.131 29.593 29.700 0.039 0.000 0.806 183 E HN 0.316 nan 8.360 nan 0.000 0.533 184 W N 1.666 122.888 121.300 -0.130 0.000 2.465 184 W HA 0.016 4.682 4.660 0.010 0.000 0.268 184 W C 0.701 177.176 176.519 -0.074 0.000 1.242 184 W CA 0.231 57.449 57.345 -0.212 0.000 1.248 184 W CB -0.525 28.766 29.460 -0.281 0.000 1.118 184 W HN 0.079 nan 8.180 nan 0.000 0.587 185 E N 1.231 121.575 120.200 0.240 0.000 2.452 185 E HA -0.140 4.217 4.350 0.011 0.000 0.261 185 E C 0.743 177.366 176.600 0.038 0.000 0.987 185 E CA 0.555 57.067 56.400 0.187 0.000 0.926 185 E CB 0.079 29.857 29.700 0.131 0.000 0.934 185 E HN 0.061 nan 8.360 nan 0.000 0.452 186 N N 1.580 120.207 118.700 -0.122 0.000 2.965 186 N HA -0.183 4.563 4.740 0.011 0.000 0.232 186 N C -0.806 174.773 175.510 0.115 0.000 0.913 186 N CA 0.977 53.936 53.050 -0.152 0.000 0.981 186 N CB -0.956 37.565 38.487 0.057 0.000 1.077 186 N HN 0.554 nan 8.380 nan 0.000 0.589 187 R N -0.286 120.275 120.500 0.102 0.000 2.641 187 R HA 0.259 4.605 4.340 0.011 0.000 0.269 187 R C -0.128 176.355 176.300 0.304 0.000 1.074 187 R CA 0.015 56.252 56.100 0.229 0.000 1.133 187 R CB 0.315 30.685 30.300 0.116 0.000 1.029 187 R HN 0.086 nan 8.270 nan 0.000 0.488 188 Y N 1.177 121.771 120.300 0.489 0.000 2.352 188 Y HA 0.284 4.841 4.550 0.010 0.000 0.326 188 Y C -0.108 176.124 175.900 0.553 0.000 1.166 188 Y CA -0.149 58.240 58.100 0.482 0.000 1.182 188 Y CB 1.173 39.826 38.460 0.322 0.000 1.216 188 Y HN 0.491 nan 8.280 nan 0.000 0.474 189 Y N -0.328 120.187 120.300 0.358 0.000 2.638 189 Y HA 0.829 5.385 4.550 0.010 0.000 0.335 189 Y C -2.382 173.531 175.900 0.021 0.000 1.155 189 Y CA -1.889 56.261 58.100 0.083 0.000 1.046 189 Y CB 1.127 39.368 38.460 -0.364 0.000 1.303 189 Y HN 0.468 nan 8.280 nan 0.000 0.460 190 L N 2.100 123.321 121.223 -0.003 0.000 2.434 190 L HA 0.481 4.828 4.340 0.011 0.000 0.260 190 L C -1.477 175.308 176.870 -0.142 0.000 0.983 190 L CA -1.072 53.707 54.840 -0.101 0.000 0.820 190 L CB 2.482 44.586 42.059 0.074 0.000 1.361 190 L HN 0.696 nan 8.230 nan 0.000 0.410 191 Y N 0.672 120.986 120.300 0.023 0.000 2.299 191 Y HA 0.249 4.806 4.550 0.011 0.000 0.326 191 Y C 0.298 176.165 175.900 -0.056 0.000 1.164 191 Y CA -0.254 57.831 58.100 -0.024 0.000 1.234 191 Y CB 1.037 39.489 38.460 -0.013 0.000 1.219 191 Y HN 0.420 nan 8.280 nan 0.000 0.497 192 E N 2.778 123.018 120.200 0.066 0.000 2.101 192 E HA 0.456 4.812 4.350 0.011 0.000 0.260 192 E C -1.667 174.892 176.600 -0.067 0.000 0.897 192 E CA -0.412 55.985 56.400 -0.005 0.000 0.744 192 E CB 0.609 30.287 29.700 -0.036 0.000 1.140 192 E HN 0.436 nan 8.360 nan 0.000 0.419 193 V N 3.818 123.694 119.914 -0.063 0.000 2.472 193 V HA 0.178 4.305 4.120 0.011 0.000 0.290 193 V C -0.220 175.810 176.094 -0.106 0.000 1.037 193 V CA -0.642 61.570 62.300 -0.147 0.000 0.908 193 V CB 1.680 33.425 31.823 -0.129 0.000 0.985 193 V HN 0.656 nan 8.190 nan 0.000 0.454 194 D N 3.483 123.784 120.400 -0.165 0.000 2.493 194 D HA 0.511 5.157 4.640 0.011 0.000 0.235 194 D C -0.506 175.751 176.300 -0.072 0.000 1.117 194 D CA 0.028 53.974 54.000 -0.090 0.000 0.930 194 D CB 0.825 41.564 40.800 -0.102 0.000 1.010 194 D HN 0.459 nan 8.370 nan 0.000 0.514 195 V N 0.552 120.448 119.914 -0.029 0.000 3.001 195 V HA 0.540 4.666 4.120 0.011 0.000 0.314 195 V C -0.683 175.414 176.094 0.005 0.000 1.099 195 V CA -1.310 60.953 62.300 -0.061 0.000 0.989 195 V CB 1.378 33.082 31.823 -0.198 0.000 1.040 195 V HN 0.258 nan 8.190 nan 0.000 0.434 196 Y N 2.494 122.727 120.300 -0.112 0.000 2.359 196 Y HA 0.455 5.013 4.550 0.013 0.000 0.334 196 Y C 0.218 176.034 175.900 -0.139 0.000 1.058 196 Y CA -0.058 58.011 58.100 -0.052 0.000 1.244 196 Y CB 0.341 38.784 38.460 -0.029 0.000 1.187 196 Y HN 0.759 nan 8.280 nan 0.000 0.510 197 H N 8.507 127.202 119.070 -0.625 0.000 2.519 197 H HA 0.176 4.738 4.556 0.011 0.000 0.316 197 H C -1.876 172.989 175.328 -0.772 0.000 1.065 197 H CA -1.892 53.858 56.048 -0.497 0.000 1.264 197 H CB 1.735 31.348 29.762 -0.249 0.000 1.413 197 H HN 0.592 nan 8.280 nan 0.000 0.465 198 P HA -0.147 nan 4.420 nan 0.000 0.217 198 P C 1.601 178.849 177.300 -0.087 0.000 1.150 198 P CA 1.557 64.548 63.100 -0.181 0.000 0.832 198 P CB 0.134 31.843 31.700 0.016 0.000 0.787 199 T N -3.852 110.678 114.554 -0.040 0.000 3.007 199 T HA 0.000 4.357 4.350 0.011 0.000 0.270 199 T C 1.360 176.042 174.700 -0.030 0.000 1.107 199 T CA 0.923 63.018 62.100 -0.008 0.000 1.118 199 T CB -0.383 68.495 68.868 0.016 0.000 0.889 199 T HN 0.015 nan 8.240 nan 0.000 0.506 200 K N 0.352 120.708 120.400 -0.072 0.000 2.440 200 K HA 0.588 4.915 4.320 0.011 0.000 0.207 200 K C 1.121 177.688 176.600 -0.054 0.000 1.112 200 K CA 0.513 56.763 56.287 -0.063 0.000 1.036 200 K CB 0.508 32.959 32.500 -0.083 0.000 0.935 200 K HN 0.379 nan 8.250 nan 0.000 0.564 201 A N 1.846 124.598 122.820 -0.114 0.000 2.745 201 A HA -0.259 4.068 4.320 0.011 0.000 0.296 201 A C -0.147 177.517 177.584 0.134 0.000 1.500 201 A CA 1.314 53.375 52.037 0.039 0.000 0.766 201 A CB -1.883 17.196 19.000 0.132 0.000 1.030 201 A HN 0.429 nan 8.150 nan 0.000 0.489 202 Q N -1.658 118.124 119.800 -0.031 0.000 2.416 202 Q HA 0.573 4.919 4.340 0.011 0.000 0.281 202 Q C -0.727 175.352 176.000 0.133 0.000 1.067 202 Q CA -0.898 54.965 55.803 0.100 0.000 0.809 202 Q CB 2.658 31.420 28.738 0.039 0.000 1.418 202 Q HN 0.435 nan 8.270 nan 0.000 0.411 203 V N 3.546 123.579 119.914 0.198 0.000 2.339 203 V HA 0.260 4.386 4.120 0.011 0.000 0.261 203 V C -0.274 175.886 176.094 0.111 0.000 1.058 203 V CA -0.044 62.363 62.300 0.177 0.000 0.897 203 V CB -0.195 31.718 31.823 0.150 0.000 1.052 203 V HN 0.506 nan 8.190 nan 0.000 0.480 204 L N 4.314 125.619 121.223 0.137 0.000 2.344 204 L HA 0.583 4.929 4.340 0.011 0.000 0.272 204 L C 0.286 177.199 176.870 0.071 0.000 1.035 204 L CA -0.678 54.209 54.840 0.078 0.000 0.807 204 L CB 1.712 43.779 42.059 0.012 0.000 1.237 204 L HN 0.433 nan 8.230 nan 0.000 0.442 205 K N 1.890 122.305 120.400 0.025 0.000 2.356 205 K HA 0.391 4.717 4.320 0.011 0.000 0.243 205 K C -1.293 175.310 176.600 0.006 0.000 1.072 205 K CA -0.407 55.885 56.287 0.009 0.000 1.014 205 K CB 0.452 32.949 32.500 -0.005 0.000 1.523 205 K HN 0.588 nan 8.250 nan 0.000 0.455 206 C N 3.468 122.782 119.300 0.023 0.000 2.365 206 C HA 0.462 4.928 4.460 0.011 0.000 0.349 206 C C 0.071 175.075 174.990 0.023 0.000 1.191 206 C CA -1.000 58.028 59.018 0.017 0.000 2.114 206 C CB 0.286 28.043 27.740 0.028 0.000 2.367 206 C HN 0.685 nan 8.230 nan 0.000 0.530 207 L N 2.755 123.992 121.223 0.022 0.000 2.292 207 L HA 0.641 4.987 4.340 0.011 0.000 0.284 207 L C 0.340 177.237 176.870 0.044 0.000 1.065 207 L CA 0.204 55.066 54.840 0.037 0.000 0.806 207 L CB 0.715 42.795 42.059 0.035 0.000 1.175 207 L HN 0.852 nan 8.230 nan 0.000 0.431 208 A N 2.290 125.155 122.820 0.076 0.000 2.515 208 A HA 0.778 5.105 4.320 0.011 0.000 0.298 208 A C -0.108 177.544 177.584 0.113 0.000 1.059 208 A CA -0.297 51.791 52.037 0.085 0.000 0.698 208 A CB 1.484 20.540 19.000 0.094 0.000 1.289 208 A HN 0.715 nan 8.150 nan 0.000 0.404 209 G N -0.125 108.712 108.800 0.061 0.000 2.651 209 G HA2 0.429 4.396 3.960 0.011 0.000 0.260 209 G HA3 0.429 4.396 3.960 0.011 0.000 0.260 209 G C -0.602 174.401 174.900 0.172 0.000 1.216 209 G CA -0.148 44.967 45.100 0.025 0.000 0.913 209 G HN 0.657 nan 8.290 nan 0.000 0.535 210 D N 0.025 120.524 120.400 0.164 0.000 2.295 210 D HA 0.249 4.896 4.640 0.011 0.000 0.248 210 D C -1.321 175.118 176.300 0.232 0.000 1.154 210 D CA -1.920 52.307 54.000 0.378 0.000 0.857 210 D CB 1.833 42.925 40.800 0.486 0.000 1.117 210 D HN -0.101 nan 8.370 nan 0.000 0.468 211 P HA -0.121 nan 4.420 nan 0.000 0.219 211 P C 0.221 177.540 177.300 0.031 0.000 1.146 211 P CA 1.100 64.238 63.100 0.062 0.000 0.808 211 P CB 0.031 31.782 31.700 0.085 0.000 0.779 212 Y N -1.084 119.312 120.300 0.160 0.000 2.683 212 Y HA 0.441 4.997 4.550 0.010 0.000 0.297 212 Y C 1.100 177.097 175.900 0.162 0.000 1.147 212 Y CA -0.982 57.217 58.100 0.164 0.000 1.274 212 Y CB -0.924 37.648 38.460 0.186 0.000 1.143 212 Y HN -0.151 nan 8.280 nan 0.000 0.527 213 A N 0.436 123.394 122.820 0.230 0.000 2.531 213 A HA 0.144 4.470 4.320 0.011 0.000 0.236 213 A C 1.349 179.020 177.584 0.145 0.000 1.062 213 A CA -0.006 52.138 52.037 0.179 0.000 0.760 213 A CB 0.530 19.589 19.000 0.098 0.000 0.995 213 A HN 0.376 nan 8.150 nan 0.000 0.501 214 R N 0.099 120.687 120.500 0.147 0.000 2.307 214 R HA 0.261 4.607 4.340 0.011 0.000 0.200 214 R C 0.190 176.569 176.300 0.132 0.000 0.893 214 R CA 0.795 56.960 56.100 0.107 0.000 1.042 214 R CB 0.181 30.536 30.300 0.093 0.000 1.059 214 R HN 0.711 nan 8.270 nan 0.000 0.530 215 S N -0.512 115.291 115.700 0.172 0.000 2.588 215 S HA 0.709 5.186 4.470 0.011 0.000 0.269 215 S C -1.687 173.040 174.600 0.212 0.000 1.157 215 S CA -0.610 57.733 58.200 0.237 0.000 0.824 215 S CB 1.078 64.535 63.200 0.428 0.000 1.126 215 S HN 0.016 nan 8.310 nan 0.000 0.464 216 L N 2.101 123.420 121.223 0.160 0.000 2.376 216 L HA 0.609 4.956 4.340 0.011 0.000 0.258 216 L C 0.279 177.203 176.870 0.089 0.000 1.013 216 L CA -0.945 53.944 54.840 0.082 0.000 0.822 216 L CB 2.358 44.345 42.059 -0.120 0.000 1.388 216 L HN 0.799 nan 8.230 nan 0.000 0.413 217 S N 0.701 116.448 115.700 0.079 0.000 2.641 217 S HA 0.613 5.089 4.470 0.011 0.000 0.261 217 S C 0.302 174.829 174.600 -0.122 0.000 1.257 217 S CA -0.371 57.785 58.200 -0.072 0.000 0.983 217 S CB 0.969 64.009 63.200 -0.266 0.000 0.990 217 S HN 0.770 nan 8.310 nan 0.000 0.572 218 A N 1.346 124.079 122.820 -0.145 0.000 2.584 218 A HA 0.248 4.574 4.320 0.011 0.000 0.239 218 A C 0.912 178.436 177.584 -0.100 0.000 1.043 218 A CA 0.171 52.139 52.037 -0.115 0.000 0.756 218 A CB -1.101 17.826 19.000 -0.122 0.000 0.963 218 A HN 1.021 nan 8.150 nan 0.000 0.511 219 N N 0.502 119.169 118.700 -0.056 0.000 2.778 219 N HA -0.226 4.521 4.740 0.011 0.000 0.249 219 N C 0.901 176.406 175.510 -0.008 0.000 1.069 219 N CA 2.601 55.664 53.050 0.022 0.000 0.831 219 N CB -1.577 36.914 38.487 0.007 0.000 1.142 219 N HN 2.192 nan 8.380 nan 0.000 0.573 220 G N -0.900 107.781 108.800 -0.199 0.000 2.179 220 G HA2 -0.236 3.730 3.960 0.011 0.000 0.257 220 G HA3 -0.236 3.730 3.960 0.011 0.000 0.257 220 G C 1.172 176.000 174.900 -0.119 0.000 1.010 220 G CA 1.200 46.143 45.100 -0.262 0.000 0.736 220 G HN 1.082 nan 8.290 nan 0.000 0.513 221 A N -0.858 121.891 122.820 -0.118 0.000 1.972 221 A HA 0.316 4.643 4.320 0.011 0.000 0.219 221 A C 1.575 179.060 177.584 -0.165 0.000 1.169 221 A CA 1.868 53.826 52.037 -0.132 0.000 0.635 221 A CB 0.041 18.942 19.000 -0.165 0.000 0.810 221 A HN 0.642 nan 8.150 nan 0.000 0.446 222 R N -2.275 118.132 120.500 -0.155 0.000 2.808 222 R HA 0.501 4.847 4.340 0.011 0.000 0.272 222 R C -1.338 174.951 176.300 -0.019 0.000 0.995 222 R CA -0.518 55.512 56.100 -0.116 0.000 0.917 222 R CB 1.711 31.915 30.300 -0.159 0.000 1.217 222 R HN 0.084 nan 8.270 nan 0.000 0.471 223 T N 0.940 115.418 114.554 -0.127 0.000 2.799 223 T HA 0.193 4.550 4.350 0.011 0.000 0.286 223 T C -1.226 173.482 174.700 0.014 0.000 0.973 223 T CA -0.325 61.657 62.100 -0.197 0.000 1.035 223 T CB 0.592 69.051 68.868 -0.680 0.000 0.932 223 T HN 0.314 nan 8.240 nan 0.000 0.469 224 W N 5.188 126.417 121.300 -0.118 0.000 2.316 224 W HA 0.439 5.105 4.660 0.010 0.000 0.308 224 W C -0.433 176.074 176.519 -0.021 0.000 1.106 224 W CA -1.791 55.370 57.345 -0.307 0.000 1.262 224 W CB 0.294 29.537 29.460 -0.361 0.000 1.233 224 W HN 0.386 nan 8.180 nan 0.000 0.447 225 L N 8.781 129.981 121.223 -0.039 0.000 2.416 225 L HA 0.188 4.535 4.340 0.011 0.000 0.243 225 L C -0.342 176.415 176.870 -0.190 0.000 1.373 225 L CA 0.062 54.957 54.840 0.092 0.000 1.227 225 L CB -0.890 41.289 42.059 0.200 0.000 1.428 225 L HN 0.172 nan 8.230 nan 0.000 0.425 226 V N 1.954 121.625 119.914 -0.405 0.000 2.617 226 V HA 0.371 4.498 4.120 0.011 0.000 0.298 226 V C -0.361 175.516 176.094 -0.362 0.000 1.048 226 V CA -0.799 61.096 62.300 -0.674 0.000 0.964 226 V CB 1.962 33.157 31.823 -1.047 0.000 1.004 226 V HN 0.597 nan 8.190 nan 0.000 0.466 227 D N 4.219 124.216 120.400 -0.672 0.000 2.339 227 D HA 0.131 4.777 4.640 0.011 0.000 0.241 227 D C 0.696 176.784 176.300 -0.353 0.000 1.183 227 D CA -0.150 53.407 54.000 -0.740 0.000 0.859 227 D CB 1.163 41.324 40.800 -1.065 0.000 1.067 227 D HN 0.457 nan 8.370 nan 0.000 0.484 228 I N 3.937 124.396 120.570 -0.186 0.000 2.700 228 I HA -0.113 4.064 4.170 0.011 0.000 0.261 228 I C 1.167 177.193 176.117 -0.152 0.000 1.219 228 I CA 0.945 62.156 61.300 -0.150 0.000 1.463 228 I CB -0.162 37.778 38.000 -0.099 0.000 1.092 228 I HN 0.413 nan 8.210 nan 0.000 0.452 229 N N 0.643 119.262 118.700 -0.135 0.000 2.336 229 N HA -0.015 4.731 4.740 0.011 0.000 0.189 229 N C 0.311 175.758 175.510 -0.106 0.000 1.113 229 N CA -0.016 52.980 53.050 -0.089 0.000 0.858 229 N CB -0.407 38.053 38.487 -0.046 0.000 0.970 229 N HN 0.308 nan 8.380 nan 0.000 0.471 230 N N 2.339 120.939 118.700 -0.166 0.000 2.412 230 N HA -0.091 4.655 4.740 0.011 0.000 0.258 230 N C 1.097 176.551 175.510 -0.094 0.000 1.236 230 N CA 0.367 53.327 53.050 -0.149 0.000 0.882 230 N CB 0.660 39.030 38.487 -0.194 0.000 1.066 230 N HN 0.001 nan 8.380 nan 0.000 0.465 231 E N 1.326 121.490 120.200 -0.059 0.000 2.209 231 E HA -0.151 4.205 4.350 0.011 0.000 0.196 231 E C 1.232 177.815 176.600 -0.029 0.000 0.993 231 E CA 1.454 57.838 56.400 -0.026 0.000 0.819 231 E CB -0.386 29.308 29.700 -0.009 0.000 0.745 231 E HN 0.838 nan 8.360 nan 0.000 0.477 232 T N -1.861 112.672 114.554 -0.036 0.000 3.118 232 T HA 0.044 4.400 4.350 0.011 0.000 0.260 232 T C 1.698 176.382 174.700 -0.027 0.000 1.139 232 T CA 0.240 62.330 62.100 -0.017 0.000 1.085 232 T CB -0.151 68.717 68.868 0.001 0.000 0.934 232 T HN 0.066 nan 8.240 nan 0.000 0.518 233 L N -0.466 120.715 121.223 -0.069 0.000 2.640 233 L HA 0.374 4.720 4.340 0.011 0.000 0.230 233 L C 0.405 177.147 176.870 -0.213 0.000 1.123 233 L CA -0.126 54.650 54.840 -0.106 0.000 0.900 233 L CB -0.018 41.966 42.059 -0.126 0.000 1.146 233 L HN 0.090 nan 8.230 nan 0.000 0.484 234 K N 1.167 121.464 120.400 -0.172 0.000 2.235 234 K HA 0.427 4.753 4.320 0.011 0.000 0.266 234 K C -2.372 174.180 176.600 -0.080 0.000 0.980 234 K CA -1.895 54.252 56.287 -0.232 0.000 0.849 234 K CB 1.288 33.762 32.500 -0.043 0.000 1.098 234 K HN -0.233 nan 8.250 nan 0.000 0.445 235 P HA -0.044 nan 4.420 nan 0.000 0.270 235 P C -0.763 176.622 177.300 0.141 0.000 1.223 235 P CA -0.362 62.770 63.100 0.054 0.000 0.785 235 P CB 0.466 32.226 31.700 0.100 0.000 0.923 236 A N 1.607 124.493 122.820 0.109 0.000 2.566 236 A HA 0.233 4.559 4.320 0.011 0.000 0.245 236 A C 1.001 178.668 177.584 0.139 0.000 1.056 236 A CA 0.921 53.022 52.037 0.106 0.000 0.757 236 A CB -1.148 17.896 19.000 0.072 0.000 0.979 236 A HN 0.573 nan 8.150 nan 0.000 0.508 237 S N 0.222 116.000 115.700 0.129 0.000 3.361 237 S HA -0.169 4.308 4.470 0.011 0.000 0.288 237 S C 0.826 175.514 174.600 0.146 0.000 1.269 237 S CA 1.072 59.337 58.200 0.108 0.000 0.976 237 S CB -2.139 61.105 63.200 0.073 0.000 1.162 237 S HN 1.041 nan 8.310 nan 0.000 0.643 238 W N 2.254 123.565 121.300 0.019 0.000 2.338 238 W HA -0.182 4.484 4.660 0.010 0.000 0.304 238 W C 1.002 177.533 176.519 0.019 0.000 1.212 238 W CA 1.849 59.207 57.345 0.021 0.000 1.264 238 W CB -0.230 29.240 29.460 0.016 0.000 1.142 238 W HN 0.354 nan 8.180 nan 0.000 0.512 239 D N 0.315 120.700 120.400 -0.025 0.000 2.378 239 D HA -0.090 4.556 4.640 0.011 0.000 0.227 239 D C 1.286 177.502 176.300 -0.140 0.000 1.012 239 D CA 0.975 54.895 54.000 -0.133 0.000 0.905 239 D CB -0.144 40.657 40.800 0.002 0.000 0.895 239 D HN 0.274 nan 8.370 nan 0.000 0.532 240 E N 0.126 120.260 120.200 -0.110 0.000 2.465 240 E HA 0.021 4.377 4.350 0.011 0.000 0.195 240 E C 1.692 178.221 176.600 -0.118 0.000 1.028 240 E CA -0.223 56.126 56.400 -0.085 0.000 0.899 240 E CB 0.478 30.158 29.700 -0.032 0.000 1.032 240 E HN 0.183 nan 8.360 nan 0.000 0.468 241 L N 1.319 122.410 121.223 -0.220 0.000 2.093 241 L HA -0.037 4.309 4.340 0.011 0.000 0.208 241 L C 2.112 178.881 176.870 -0.168 0.000 1.085 241 L CA 1.721 56.424 54.840 -0.228 0.000 0.755 241 L CB -0.616 41.174 42.059 -0.449 0.000 0.904 241 L HN 0.069 nan 8.230 nan 0.000 0.435 242 A N -0.757 121.961 122.820 -0.169 0.000 1.940 242 A HA -0.230 4.097 4.320 0.011 0.000 0.219 242 A C 1.912 179.458 177.584 -0.064 0.000 1.176 242 A CA 2.003 53.980 52.037 -0.100 0.000 0.631 242 A CB -0.720 18.232 19.000 -0.080 0.000 0.814 242 A HN 0.546 nan 8.150 nan 0.000 0.446 243 D N -0.656 119.706 120.400 -0.063 0.000 2.234 243 D HA -0.045 4.601 4.640 0.011 0.000 0.205 243 D C 1.618 177.896 176.300 -0.037 0.000 0.962 243 D CA 0.925 54.900 54.000 -0.041 0.000 0.855 243 D CB -0.222 40.557 40.800 -0.035 0.000 0.951 243 D HN 0.649 nan 8.370 nan 0.000 0.500 244 E N 0.204 120.376 120.200 -0.046 0.000 2.474 244 E HA 0.043 4.399 4.350 0.011 0.000 0.194 244 E C 0.261 176.839 176.600 -0.036 0.000 1.041 244 E CA -0.003 56.376 56.400 -0.035 0.000 0.874 244 E CB 0.492 30.175 29.700 -0.030 0.000 0.914 244 E HN 0.164 nan 8.360 nan 0.000 0.498 245 K N 2.160 122.534 120.400 -0.044 0.000 2.436 245 K HA 0.090 4.416 4.320 0.011 0.000 0.275 245 K C -2.452 174.125 176.600 -0.038 0.000 0.999 245 K CA -1.496 54.767 56.287 -0.041 0.000 0.980 245 K CB 0.237 32.715 32.500 -0.037 0.000 0.919 245 K HN -0.135 nan 8.250 nan 0.000 0.484 246 P HA -0.068 nan 4.420 nan 0.000 0.265 246 P C -0.855 176.422 177.300 -0.038 0.000 1.193 246 P CA 0.022 63.091 63.100 -0.053 0.000 0.765 246 P CB 0.338 31.988 31.700 -0.083 0.000 0.823 247 K N 2.453 122.835 120.400 -0.029 0.000 2.319 247 K HA 0.376 4.702 4.320 0.011 0.000 0.265 247 K C -0.681 175.916 176.600 -0.003 0.000 1.000 247 K CA -0.424 55.854 56.287 -0.015 0.000 0.943 247 K CB 0.327 32.819 32.500 -0.014 0.000 0.950 247 K HN 0.234 nan 8.250 nan 0.000 0.485 248 L N 2.876 124.103 121.223 0.007 0.000 2.573 248 L HA 0.205 4.551 4.340 0.011 0.000 0.260 248 L C -0.472 176.387 176.870 -0.018 0.000 0.997 248 L CA -0.147 54.708 54.840 0.025 0.000 0.890 248 L CB 1.404 43.510 42.059 0.078 0.000 1.179 248 L HN 0.717 nan 8.230 nan 0.000 0.439 249 D N 0.833 121.226 120.400 -0.012 0.000 2.117 249 D HA -0.006 4.640 4.640 0.011 0.000 0.198 249 D C 0.462 176.707 176.300 -0.092 0.000 0.982 249 D CA 1.137 55.115 54.000 -0.038 0.000 0.828 249 D CB 0.442 41.237 40.800 -0.008 0.000 0.967 249 D HN 0.409 nan 8.370 nan 0.000 0.464 250 S N -1.804 113.848 115.700 -0.081 0.000 2.556 250 S HA 0.275 4.751 4.470 0.011 0.000 0.271 250 S C -0.076 174.475 174.600 -0.082 0.000 1.135 250 S CA -0.678 57.438 58.200 -0.140 0.000 0.858 250 S CB 0.463 63.631 63.200 -0.053 0.000 1.114 250 S HN -0.167 nan 8.310 nan 0.000 0.468 251 F N 2.113 122.051 119.950 -0.019 0.000 2.408 251 F HA 0.041 4.574 4.527 0.011 0.000 0.300 251 F C 2.574 178.274 175.800 -0.167 0.000 1.090 251 F CA 0.904 58.825 58.000 -0.132 0.000 1.427 251 F CB -0.756 38.168 39.000 -0.126 0.000 1.070 251 F HN 0.516 nan 8.300 nan 0.000 0.549 252 S N -0.583 115.164 115.700 0.077 0.000 2.474 252 S HA -0.128 4.348 4.470 0.011 0.000 0.235 252 S C 1.233 175.848 174.600 0.024 0.000 0.997 252 S CA 0.996 59.210 58.200 0.023 0.000 0.949 252 S CB -0.224 62.988 63.200 0.021 0.000 0.766 252 S HN 0.326 nan 8.310 nan 0.000 0.517 253 D N 0.859 121.305 120.400 0.076 0.000 2.340 253 D HA 0.202 4.848 4.640 0.011 0.000 0.220 253 D C 0.349 176.793 176.300 0.240 0.000 1.039 253 D CA 0.062 54.166 54.000 0.173 0.000 0.866 253 D CB 0.009 40.939 40.800 0.216 0.000 0.913 253 D HN 0.369 nan 8.370 nan 0.000 0.523 254 I N 1.582 122.215 120.570 0.105 0.000 2.588 254 I HA 0.028 4.204 4.170 0.011 0.000 0.283 254 I C 0.511 176.691 176.117 0.106 0.000 1.119 254 I CA 0.314 61.663 61.300 0.082 0.000 1.419 254 I CB 0.703 38.548 38.000 -0.257 0.000 1.394 254 I HN -0.112 nan 8.210 nan 0.000 0.562 255 T N 4.652 119.347 114.554 0.236 0.000 2.876 255 T HA 0.725 5.082 4.350 0.011 0.000 0.289 255 T C -0.540 174.306 174.700 0.243 0.000 1.014 255 T CA -0.763 61.484 62.100 0.246 0.000 0.986 255 T CB 1.953 71.082 68.868 0.435 0.000 1.021 255 T HN 0.289 nan 8.240 nan 0.000 0.458 256 I N 2.148 122.817 120.570 0.164 0.000 2.474 256 I HA 0.460 4.636 4.170 0.011 0.000 0.294 256 I C -1.403 174.784 176.117 0.117 0.000 1.005 256 I CA -1.195 60.176 61.300 0.119 0.000 1.113 256 I CB 2.043 40.046 38.000 0.005 0.000 1.289 256 I HN 0.721 nan 8.210 nan 0.000 0.436 257 Y N 5.475 125.789 120.300 0.024 0.000 2.363 257 Y HA 0.295 4.852 4.550 0.011 0.000 0.325 257 Y C -0.279 175.590 175.900 -0.053 0.000 0.984 257 Y CA -0.639 57.474 58.100 0.023 0.000 1.248 257 Y CB 1.175 39.717 38.460 0.136 0.000 1.116 257 Y HN 0.529 nan 8.280 nan 0.000 0.470 258 E N 6.463 126.382 120.200 -0.470 0.000 2.152 258 E HA 0.368 4.725 4.350 0.011 0.000 0.285 258 E C -1.884 174.524 176.600 -0.320 0.000 1.043 258 E CA -0.507 55.666 56.400 -0.377 0.000 0.839 258 E CB 0.752 30.292 29.700 -0.266 0.000 1.069 258 E HN 0.652 nan 8.360 nan 0.000 0.399 259 L N 5.058 126.197 121.223 -0.140 0.000 2.401 259 L HA 0.314 4.660 4.340 0.011 0.000 0.266 259 L C -1.286 175.623 176.870 0.065 0.000 0.991 259 L CA -0.733 54.103 54.840 -0.008 0.000 0.818 259 L CB 1.911 44.053 42.059 0.138 0.000 1.321 259 L HN 0.595 nan 8.230 nan 0.000 0.413 260 H N 4.832 123.931 119.070 0.049 0.000 2.517 260 H HA 0.328 4.890 4.556 0.010 0.000 0.317 260 H C 0.932 176.318 175.328 0.096 0.000 1.080 260 H CA -0.111 55.967 56.048 0.050 0.000 1.301 260 H CB 1.393 31.224 29.762 0.115 0.000 1.425 260 H HN 0.827 nan 8.280 nan 0.000 0.471 261 I N 3.739 124.057 120.570 -0.420 0.000 2.194 261 I HA -0.325 3.852 4.170 0.011 0.000 0.246 261 I C 2.731 178.776 176.117 -0.120 0.000 1.093 261 I CA 1.351 62.490 61.300 -0.268 0.000 1.355 261 I CB -0.127 37.446 38.000 -0.712 0.000 1.046 261 I HN 0.587 nan 8.210 nan 0.000 0.413 262 R N 0.824 121.254 120.500 -0.118 0.000 2.075 262 R HA -0.150 4.196 4.340 0.011 0.000 0.226 262 R C 1.884 178.403 176.300 0.366 0.000 1.114 262 R CA 1.511 57.732 56.100 0.200 0.000 0.972 262 R CB -0.093 30.413 30.300 0.344 0.000 0.869 262 R HN 0.221 nan 8.270 nan 0.000 0.437 263 D N 0.199 120.954 120.400 0.591 0.000 2.190 263 D HA -0.216 4.430 4.640 0.011 0.000 0.200 263 D C 1.450 177.933 176.300 0.306 0.000 0.992 263 D CA 1.032 55.282 54.000 0.416 0.000 0.854 263 D CB -0.251 40.786 40.800 0.396 0.000 0.936 263 D HN 0.216 nan 8.370 nan 0.000 0.462 264 F N 1.235 121.286 119.950 0.169 0.000 2.134 264 F HA -0.182 4.351 4.527 0.011 0.000 0.299 264 F C 2.136 177.999 175.800 0.105 0.000 1.097 264 F CA 1.885 59.972 58.000 0.145 0.000 1.264 264 F CB 0.009 39.006 39.000 -0.004 0.000 1.001 264 F HN -0.001 nan 8.300 nan 0.000 0.479 265 S N -1.148 114.493 115.700 -0.098 0.000 2.733 265 S HA 0.441 4.918 4.470 0.011 0.000 0.247 265 S C 1.743 176.272 174.600 -0.118 0.000 1.043 265 S CA 0.058 58.108 58.200 -0.250 0.000 1.066 265 S CB -0.397 62.633 63.200 -0.282 0.000 1.045 265 S HN 0.312 nan 8.310 nan 0.000 0.586 266 A N 1.960 124.764 122.820 -0.028 0.000 1.948 266 A HA -0.139 4.188 4.320 0.011 0.000 0.220 266 A C 1.659 179.083 177.584 -0.267 0.000 1.177 266 A CA 1.891 53.869 52.037 -0.098 0.000 0.636 266 A CB -0.854 18.120 19.000 -0.043 0.000 0.815 266 A HN 0.729 nan 8.150 nan 0.000 0.449 267 H N -1.671 117.346 119.070 -0.089 0.000 2.542 267 H HA 0.209 4.771 4.556 0.010 0.000 0.283 267 H C -0.577 174.665 175.328 -0.144 0.000 1.059 267 H CA -0.242 55.734 56.048 -0.120 0.000 1.162 267 H CB 0.337 30.006 29.762 -0.155 0.000 1.539 267 H HN 0.284 nan 8.280 nan 0.000 0.543 268 D N 0.279 120.629 120.400 -0.082 0.000 2.393 268 D HA 0.061 4.707 4.640 0.011 0.000 0.232 268 D C 1.472 177.688 176.300 -0.139 0.000 1.192 268 D CA -0.105 53.819 54.000 -0.126 0.000 0.882 268 D CB 0.884 41.553 40.800 -0.218 0.000 1.038 268 D HN 0.484 nan 8.370 nan 0.000 0.499 269 G N 2.316 111.052 108.800 -0.106 0.000 2.509 269 G HA2 -0.230 3.737 3.960 0.011 0.000 0.218 269 G HA3 -0.230 3.737 3.960 0.011 0.000 0.218 269 G C 1.416 176.256 174.900 -0.101 0.000 1.124 269 G CA 1.208 46.250 45.100 -0.096 0.000 0.776 269 G HN 0.567 nan 8.290 nan 0.000 0.547 270 T N -1.742 112.745 114.554 -0.112 0.000 3.055 270 T HA 0.194 4.550 4.350 0.011 0.000 0.265 270 T C 0.733 175.354 174.700 -0.132 0.000 1.111 270 T CA 0.076 62.121 62.100 -0.092 0.000 1.118 270 T CB 0.124 68.946 68.868 -0.076 0.000 0.909 270 T HN -0.073 nan 8.240 nan 0.000 0.501 271 V N 3.720 123.489 119.914 -0.242 0.000 2.394 271 V HA 0.336 4.462 4.120 0.011 0.000 0.282 271 V C 0.019 175.923 176.094 -0.317 0.000 1.031 271 V CA -1.461 60.563 62.300 -0.461 0.000 0.881 271 V CB 1.037 32.493 31.823 -0.612 0.000 0.982 271 V HN 0.625 nan 8.190 nan 0.000 0.451 272 D N 3.479 123.724 120.400 -0.259 0.000 2.449 272 D HA -0.010 4.636 4.640 0.011 0.000 0.236 272 D C 1.442 177.674 176.300 -0.113 0.000 1.149 272 D CA 0.455 54.391 54.000 -0.107 0.000 0.878 272 D CB 0.962 41.764 40.800 0.002 0.000 1.198 272 D HN 0.552 nan 8.370 nan 0.000 0.446 273 S N 1.901 117.555 115.700 -0.076 0.000 2.372 273 S HA -0.357 4.119 4.470 0.011 0.000 0.227 273 S C 1.360 175.936 174.600 -0.040 0.000 1.044 273 S CA 1.592 59.749 58.200 -0.071 0.000 1.050 273 S CB -0.616 62.545 63.200 -0.065 0.000 0.901 273 S HN 0.611 nan 8.310 nan 0.000 0.447 274 D N 1.499 121.892 120.400 -0.012 0.000 2.178 274 D HA 0.054 4.700 4.640 0.011 0.000 0.201 274 D C 1.484 177.811 176.300 0.046 0.000 0.980 274 D CA 1.286 55.300 54.000 0.023 0.000 0.842 274 D CB -0.345 40.474 40.800 0.032 0.000 0.948 274 D HN 0.493 nan 8.370 nan 0.000 0.472 275 S N -0.055 115.658 115.700 0.022 0.000 2.614 275 S HA 0.179 4.656 4.470 0.011 0.000 0.230 275 S C 0.498 175.084 174.600 -0.022 0.000 0.952 275 S CA -0.244 57.986 58.200 0.050 0.000 0.949 275 S CB 0.425 63.703 63.200 0.130 0.000 0.786 275 S HN 0.132 nan 8.310 nan 0.000 0.478 276 R N 0.346 120.827 120.500 -0.032 0.000 2.404 276 R HA 0.502 4.848 4.340 0.011 0.000 0.291 276 R C 1.068 177.396 176.300 0.047 0.000 1.025 276 R CA 0.266 56.335 56.100 -0.052 0.000 0.991 276 R CB 0.918 31.163 30.300 -0.091 0.000 1.053 276 R HN 0.282 nan 8.270 nan 0.000 0.479 277 G N 0.853 109.673 108.800 0.033 0.000 2.176 277 G HA2 -0.206 3.760 3.960 0.011 0.000 0.232 277 G HA3 -0.206 3.760 3.960 0.011 0.000 0.232 277 G C 0.229 175.161 174.900 0.053 0.000 0.986 277 G CA -0.184 44.964 45.100 0.081 0.000 0.643 277 G HN 0.921 nan 8.290 nan 0.000 0.522 278 G N -1.434 107.395 108.800 0.048 0.000 3.222 278 G HA2 0.640 4.607 3.960 0.011 0.000 0.263 278 G HA3 0.640 4.607 3.960 0.011 0.000 0.263 278 G C 0.565 175.499 174.900 0.058 0.000 1.312 278 G CA 0.013 45.083 45.100 -0.050 0.000 0.934 278 G HN 0.107 nan 8.290 nan 0.000 0.577 279 F N 0.026 120.121 119.950 0.241 0.000 2.134 279 F HA 0.044 4.577 4.527 0.010 0.000 0.299 279 F C 2.790 178.796 175.800 0.343 0.000 1.097 279 F CA 1.402 59.553 58.000 0.252 0.000 1.264 279 F CB -0.287 38.814 39.000 0.169 0.000 1.001 279 F HN 0.367 nan 8.300 nan 0.000 0.479 280 R N 0.791 121.565 120.500 0.456 0.000 2.127 280 R HA -0.146 4.201 4.340 0.011 0.000 0.238 280 R C 2.238 178.804 176.300 0.443 0.000 1.134 280 R CA 1.114 57.450 56.100 0.394 0.000 0.975 280 R CB -0.449 30.050 30.300 0.332 0.000 0.865 280 R HN 0.245 nan 8.270 nan 0.000 0.447 281 A N 0.238 123.261 122.820 0.337 0.000 2.024 281 A HA -0.159 4.168 4.320 0.011 0.000 0.220 281 A C 1.729 179.480 177.584 0.279 0.000 1.164 281 A CA 1.185 53.340 52.037 0.197 0.000 0.643 281 A CB -0.645 18.337 19.000 -0.031 0.000 0.806 281 A HN 0.424 nan 8.150 nan 0.000 0.451 282 F N -0.290 119.862 119.950 0.336 0.000 2.502 282 F HA 0.065 4.598 4.527 0.011 0.000 0.298 282 F C 2.479 178.410 175.800 0.217 0.000 1.111 282 F CA 0.679 58.834 58.000 0.258 0.000 1.445 282 F CB -0.095 38.960 39.000 0.092 0.000 1.081 282 F HN 0.253 nan 8.300 nan 0.000 0.558 283 A N -1.511 121.535 122.820 0.377 0.000 2.167 283 A HA -0.086 4.240 4.320 0.011 0.000 0.214 283 A C 0.309 177.939 177.584 0.077 0.000 1.151 283 A CA 0.257 52.406 52.037 0.188 0.000 0.735 283 A CB -1.069 17.995 19.000 0.107 0.000 0.802 283 A HN 0.322 nan 8.150 nan 0.000 0.467 284 Y N 2.025 122.389 120.300 0.107 0.000 2.570 284 Y HA 0.095 4.651 4.550 0.010 0.000 0.336 284 Y C 1.885 177.818 175.900 0.055 0.000 1.284 284 Y CA 0.052 58.187 58.100 0.059 0.000 1.761 284 Y CB -0.500 37.974 38.460 0.023 0.000 1.724 284 Y HN 0.608 nan 8.280 nan 0.000 0.455 285 Q N 0.883 120.752 119.800 0.116 0.000 2.133 285 Q HA -0.252 4.094 4.340 0.011 0.000 0.208 285 Q C 1.657 177.706 176.000 0.081 0.000 0.991 285 Q CA 1.809 57.667 55.803 0.092 0.000 0.867 285 Q CB -0.290 28.478 28.738 0.049 0.000 0.911 285 Q HN 0.591 nan 8.270 nan 0.000 0.417 286 A N 1.387 124.254 122.820 0.079 0.000 2.307 286 A HA 0.195 4.521 4.320 0.011 0.000 0.218 286 A C 0.842 178.453 177.584 0.046 0.000 1.228 286 A CA 0.089 52.158 52.037 0.054 0.000 0.857 286 A CB -0.051 18.977 19.000 0.046 0.000 0.897 286 A HN 0.484 nan 8.150 nan 0.000 0.495 287 S N -1.019 114.714 115.700 0.055 0.000 2.600 287 S HA 0.496 4.973 4.470 0.011 0.000 0.265 287 S C 1.362 175.909 174.600 -0.087 0.000 1.325 287 S CA -0.042 58.147 58.200 -0.019 0.000 1.002 287 S CB 1.218 64.383 63.200 -0.058 0.000 0.921 287 S HN 0.859 nan 8.310 nan 0.000 0.554 288 A N 2.251 124.987 122.820 -0.140 0.000 1.908 288 A HA 0.105 4.431 4.320 0.011 0.000 0.218 288 A C 2.227 179.581 177.584 -0.384 0.000 1.181 288 A CA 1.804 53.739 52.037 -0.170 0.000 0.627 288 A CB -1.875 17.042 19.000 -0.139 0.000 0.818 288 A HN 1.178 nan 8.150 nan 0.000 0.445 289 G N -1.067 107.354 108.800 -0.631 0.000 2.421 289 G HA2 -0.204 3.762 3.960 0.011 0.000 0.216 289 G HA3 -0.204 3.762 3.960 0.011 0.000 0.216 289 G C 1.520 176.199 174.900 -0.368 0.000 1.171 289 G CA 1.311 45.713 45.100 -1.163 0.000 0.775 289 G HN 0.337 nan 8.290 nan 0.000 0.543 290 M N 0.455 120.020 119.600 -0.058 0.000 2.156 290 M HA 0.056 4.542 4.480 0.011 0.000 0.264 290 M C 2.373 178.695 176.300 0.036 0.000 1.067 290 M CA 0.761 56.142 55.300 0.136 0.000 1.131 290 M CB -0.886 31.808 32.600 0.157 0.000 1.368 290 M HN 0.154 nan 8.290 nan 0.000 0.416 291 E N -0.894 119.297 120.200 -0.015 0.000 2.209 291 E HA -0.227 4.129 4.350 0.011 0.000 0.196 291 E C 1.864 178.460 176.600 -0.005 0.000 0.993 291 E CA 1.222 57.619 56.400 -0.005 0.000 0.819 291 E CB -0.580 29.122 29.700 0.003 0.000 0.745 291 E HN 0.633 nan 8.360 nan 0.000 0.477 292 H N 0.293 119.279 119.070 -0.141 0.000 2.333 292 H HA 0.052 4.614 4.556 0.011 0.000 0.302 292 H C 2.177 177.443 175.328 -0.103 0.000 1.075 292 H CA 1.247 57.227 56.048 -0.114 0.000 1.348 292 H CB -0.051 29.535 29.762 -0.293 0.000 1.393 292 H HN 0.020 nan 8.280 nan 0.000 0.509 293 L N -0.117 121.117 121.223 0.018 0.000 2.093 293 L HA -0.129 4.217 4.340 0.011 0.000 0.208 293 L C 2.659 179.470 176.870 -0.098 0.000 1.085 293 L CA 1.380 56.186 54.840 -0.057 0.000 0.755 293 L CB -0.340 41.735 42.059 0.027 0.000 0.904 293 L HN 0.233 nan 8.230 nan 0.000 0.435 294 R N 1.094 121.561 120.500 -0.055 0.000 2.096 294 R HA -0.193 4.153 4.340 0.011 0.000 0.235 294 R C 2.197 178.444 176.300 -0.088 0.000 1.127 294 R CA 1.648 57.715 56.100 -0.055 0.000 0.968 294 R CB -0.298 29.988 30.300 -0.024 0.000 0.861 294 R HN 0.204 nan 8.270 nan 0.000 0.440 295 K N 0.038 120.366 120.400 -0.120 0.000 2.025 295 K HA -0.082 4.244 4.320 0.011 0.000 0.207 295 K C 1.914 178.423 176.600 -0.151 0.000 1.049 295 K CA 1.636 57.841 56.287 -0.137 0.000 0.933 295 K CB -0.119 32.277 32.500 -0.175 0.000 0.714 295 K HN 0.252 nan 8.250 nan 0.000 0.438 296 L N 0.333 121.428 121.223 -0.213 0.000 2.093 296 L HA -0.128 4.219 4.340 0.011 0.000 0.208 296 L C 2.668 179.463 176.870 -0.125 0.000 1.085 296 L CA 1.021 55.759 54.840 -0.169 0.000 0.755 296 L CB -0.542 41.350 42.059 -0.278 0.000 0.904 296 L HN 0.266 nan 8.230 nan 0.000 0.435 297 S N 0.140 115.761 115.700 -0.132 0.000 2.348 297 S HA -0.203 4.273 4.470 0.011 0.000 0.221 297 S C 1.628 176.156 174.600 -0.119 0.000 1.033 297 S CA 1.683 59.814 58.200 -0.115 0.000 1.010 297 S CB -0.202 62.941 63.200 -0.095 0.000 0.891 297 S HN 0.399 nan 8.310 nan 0.000 0.442 298 D N 1.365 121.707 120.400 -0.098 0.000 2.218 298 D HA 0.009 4.655 4.640 0.011 0.000 0.204 298 D C 2.005 178.251 176.300 -0.089 0.000 0.976 298 D CA 1.137 55.085 54.000 -0.085 0.000 0.853 298 D CB -0.502 40.260 40.800 -0.063 0.000 0.939 298 D HN 0.510 nan 8.370 nan 0.000 0.481 299 A N -0.464 122.304 122.820 -0.087 0.000 2.014 299 A HA 0.307 4.634 4.320 0.011 0.000 0.218 299 A C 1.924 179.448 177.584 -0.099 0.000 1.163 299 A CA 1.770 53.768 52.037 -0.064 0.000 0.652 299 A CB 0.071 19.047 19.000 -0.040 0.000 0.808 299 A HN 0.326 nan 8.150 nan 0.000 0.449 300 G N -2.345 106.328 108.800 -0.211 0.000 2.613 300 G HA2 0.004 3.971 3.960 0.011 0.000 0.199 300 G HA3 0.004 3.971 3.960 0.011 0.000 0.199 300 G C 0.024 174.626 174.900 -0.497 0.000 0.991 300 G CA -0.079 44.672 45.100 -0.581 0.000 0.756 300 G HN 0.746 nan 8.290 nan 0.000 0.515 301 L N 3.156 124.302 121.223 -0.129 0.000 2.559 301 L HA 0.524 4.870 4.340 0.011 0.000 0.274 301 L C 1.773 178.630 176.870 -0.022 0.000 1.205 301 L CA 1.806 56.661 54.840 0.026 0.000 0.907 301 L CB 0.931 43.014 42.059 0.040 0.000 1.153 301 L HN 0.386 nan 8.230 nan 0.000 0.490 302 T N 0.622 115.228 114.554 0.086 0.000 3.004 302 T HA 0.191 4.547 4.350 0.011 0.000 0.243 302 T C 0.493 175.160 174.700 -0.055 0.000 1.020 302 T CA 0.275 62.397 62.100 0.037 0.000 1.145 302 T CB -0.235 68.762 68.868 0.215 0.000 0.876 302 T HN 0.626 nan 8.240 nan 0.000 0.449 303 H N -0.225 118.901 119.070 0.092 0.000 2.622 303 H HA 0.736 5.298 4.556 0.011 0.000 0.363 303 H C -1.230 174.186 175.328 0.148 0.000 1.151 303 H CA -0.737 55.375 56.048 0.107 0.000 1.184 303 H CB 2.221 32.057 29.762 0.122 0.000 1.643 303 H HN 0.196 nan 8.280 nan 0.000 0.531 304 V N 3.482 123.534 119.914 0.230 0.000 2.409 304 V HA 0.235 4.362 4.120 0.011 0.000 0.291 304 V C -0.906 175.338 176.094 0.249 0.000 1.020 304 V CA -0.504 61.939 62.300 0.238 0.000 0.848 304 V CB 0.911 32.819 31.823 0.142 0.000 0.990 304 V HN 0.991 nan 8.190 nan 0.000 0.430 305 H N 7.278 126.441 119.070 0.155 0.000 2.641 305 H HA 0.544 5.107 4.556 0.011 0.000 0.295 305 H C -1.037 174.330 175.328 0.065 0.000 1.070 305 H CA -0.979 55.156 56.048 0.145 0.000 1.257 305 H CB 1.060 30.988 29.762 0.277 0.000 1.393 305 H HN 0.646 nan 8.280 nan 0.000 0.464 306 L N 5.499 126.901 121.223 0.297 0.000 2.312 306 L HA 0.165 4.512 4.340 0.011 0.000 0.281 306 L C -0.143 176.812 176.870 0.141 0.000 1.070 306 L CA -0.903 54.004 54.840 0.113 0.000 0.805 306 L CB 1.057 43.075 42.059 -0.068 0.000 1.174 306 L HN 0.523 nan 8.230 nan 0.000 0.434 307 L N 4.525 125.736 121.223 -0.021 0.000 2.473 307 L HA 0.188 4.535 4.340 0.011 0.000 0.268 307 L C -1.895 174.834 176.870 -0.235 0.000 1.215 307 L CA -0.905 53.847 54.840 -0.147 0.000 0.823 307 L CB -0.430 41.507 42.059 -0.204 0.000 1.099 307 L HN 0.368 nan 8.230 nan 0.000 0.483 308 P HA -0.084 nan 4.420 nan 0.000 0.257 308 P C -0.386 176.756 177.300 -0.264 0.000 1.144 308 P CA 0.703 63.500 63.100 -0.506 0.000 0.761 308 P CB 0.203 31.323 31.700 -0.965 0.000 0.734 309 S N 1.924 117.574 115.700 -0.084 0.000 2.730 309 S HA 0.253 4.730 4.470 0.011 0.000 0.244 309 S C 0.342 175.137 174.600 0.325 0.000 1.022 309 S CA -0.565 57.822 58.200 0.312 0.000 1.014 309 S CB -0.655 62.823 63.200 0.463 0.000 0.963 309 S HN 0.355 nan 8.310 nan 0.000 0.540 310 F N 1.106 121.214 119.950 0.263 0.000 2.291 310 F HA 0.683 5.216 4.527 0.011 0.000 0.305 310 F C 0.504 176.501 175.800 0.328 0.000 1.171 310 F CA -1.495 56.690 58.000 0.309 0.000 1.090 310 F CB -0.457 38.723 39.000 0.300 0.000 1.436 310 F HN 0.089 nan 8.300 nan 0.000 0.509 311 H N 1.231 120.597 119.070 0.494 0.000 3.089 311 H HA 0.286 4.848 4.556 0.010 0.000 0.262 311 H C -1.120 174.348 175.328 0.233 0.000 1.160 311 H CA -1.183 54.965 56.048 0.168 0.000 1.482 311 H CB -0.761 29.093 29.762 0.153 0.000 1.511 311 H HN 0.501 nan 8.280 nan 0.000 0.483 312 F N 2.669 122.453 119.950 -0.277 0.000 2.556 312 F HA 0.838 5.371 4.527 0.010 0.000 0.327 312 F C -0.419 175.200 175.800 -0.302 0.000 1.059 312 F CA -1.347 56.495 58.000 -0.264 0.000 0.953 312 F CB 0.632 39.481 39.000 -0.253 0.000 1.227 312 F HN 0.517 nan 8.300 nan 0.000 0.478 313 A N 0.439 123.307 122.820 0.079 0.000 2.271 313 A HA 0.680 5.006 4.320 0.011 0.000 0.288 313 A C 1.012 178.740 177.584 0.240 0.000 1.094 313 A CA 0.000 52.076 52.037 0.064 0.000 0.828 313 A CB -0.001 19.032 19.000 0.054 0.000 1.091 313 A HN 2.186 nan 8.150 nan 0.000 0.493 314 G N -1.367 107.521 108.800 0.146 0.000 2.316 314 G HA2 -0.046 3.920 3.960 0.011 0.000 0.203 314 G HA3 -0.046 3.920 3.960 0.011 0.000 0.203 314 G C -0.112 174.855 174.900 0.111 0.000 0.999 314 G CA 0.149 45.343 45.100 0.156 0.000 0.649 314 G HN 1.553 nan 8.290 nan 0.000 0.489 315 V N 1.808 121.773 119.914 0.087 0.000 2.577 315 V HA 0.535 4.662 4.120 0.011 0.000 0.303 315 V C -0.721 175.395 176.094 0.037 0.000 1.042 315 V CA -1.048 61.264 62.300 0.020 0.000 0.872 315 V CB 1.864 33.672 31.823 -0.025 0.000 0.998 315 V HN 0.307 nan 8.190 nan 0.000 0.423 316 D N 2.797 123.289 120.400 0.154 0.000 2.390 316 D HA 0.071 4.718 4.640 0.011 0.000 0.249 316 D C 0.577 177.037 176.300 0.267 0.000 1.144 316 D CA 0.085 54.200 54.000 0.190 0.000 0.880 316 D CB 1.655 42.580 40.800 0.208 0.000 1.182 316 D HN 0.534 nan 8.370 nan 0.000 0.451 317 D N 2.381 122.833 120.400 0.088 0.000 2.348 317 D HA 0.030 4.676 4.640 0.011 0.000 0.216 317 D C 0.304 176.557 176.300 -0.078 0.000 0.970 317 D CA 0.451 54.471 54.000 0.033 0.000 0.889 317 D CB 0.142 40.929 40.800 -0.021 0.000 0.912 317 D HN 0.470 nan 8.370 nan 0.000 0.524 318 I N 1.287 121.785 120.570 -0.120 0.000 2.287 318 I HA 0.096 4.272 4.170 0.011 0.000 0.290 318 I C 1.249 177.040 176.117 -0.544 0.000 1.069 318 I CA -0.309 60.839 61.300 -0.254 0.000 1.237 318 I CB 1.079 38.984 38.000 -0.158 0.000 1.418 318 I HN -0.297 nan 8.210 nan 0.000 0.481 319 K N 2.492 122.382 120.400 -0.850 0.000 2.211 319 K HA -0.150 4.176 4.320 0.011 0.000 0.204 319 K C 2.047 178.214 176.600 -0.722 0.000 1.047 319 K CA 1.538 56.943 56.287 -1.470 0.000 0.935 319 K CB -0.076 31.739 32.500 -1.142 0.000 0.728 319 K HN 0.714 nan 8.250 nan 0.000 0.452 320 S N 0.863 116.334 115.700 -0.381 0.000 2.507 320 S HA -0.046 4.430 4.470 0.011 0.000 0.235 320 S C 1.382 175.925 174.600 -0.095 0.000 0.988 320 S CA 0.765 58.862 58.200 -0.171 0.000 0.944 320 S CB -0.105 63.020 63.200 -0.125 0.000 0.762 320 S HN 0.223 nan 8.310 nan 0.000 0.526 321 N N 0.065 118.691 118.700 -0.123 0.000 2.373 321 N HA 0.120 4.866 4.740 0.011 0.000 0.181 321 N C -0.491 175.105 175.510 0.144 0.000 1.082 321 N CA 0.093 53.148 53.050 0.008 0.000 0.885 321 N CB -0.121 38.377 38.487 0.019 0.000 0.977 321 N HN 0.455 nan 8.380 nan 0.000 0.462 322 W N 2.125 123.381 121.300 -0.073 0.000 2.181 322 W HA 0.242 4.909 4.660 0.010 0.000 0.335 322 W C 0.616 176.963 176.519 -0.286 0.000 1.310 322 W CA -0.428 56.794 57.345 -0.205 0.000 1.226 322 W CB -0.002 29.325 29.460 -0.222 0.000 1.155 322 W HN -0.264 nan 8.180 nan 0.000 0.565 323 K N 1.603 121.848 120.400 -0.259 0.000 2.385 323 K HA 0.686 5.012 4.320 0.011 0.000 0.248 323 K C -1.192 175.079 176.600 -0.550 0.000 0.955 323 K CA -0.722 55.418 56.287 -0.245 0.000 0.816 323 K CB 1.891 34.344 32.500 -0.078 0.000 1.250 323 K HN 0.101 nan 8.250 nan 0.000 0.434 324 F N 0.250 120.227 119.950 0.045 0.000 2.620 324 F HA 0.465 4.999 4.527 0.011 0.000 0.320 324 F C -0.068 175.726 175.800 -0.011 0.000 1.069 324 F CA -1.158 56.853 58.000 0.018 0.000 0.953 324 F CB 1.380 40.398 39.000 0.029 0.000 1.322 324 F HN 0.172 nan 8.300 nan 0.000 0.479 325 V N -1.622 118.393 119.914 0.168 0.000 2.973 325 V HA 0.487 4.614 4.120 0.011 0.000 0.314 325 V C -0.537 175.565 176.094 0.013 0.000 1.066 325 V CA -0.764 61.553 62.300 0.028 0.000 1.021 325 V CB 1.608 33.377 31.823 -0.091 0.000 1.076 325 V HN 0.705 nan 8.190 nan 0.000 0.462 326 D N 2.076 122.441 120.400 -0.059 0.000 2.416 326 D HA 0.311 4.958 4.640 0.011 0.000 0.240 326 D C 1.314 177.535 176.300 -0.131 0.000 1.250 326 D CA 0.837 54.790 54.000 -0.077 0.000 0.967 326 D CB 1.113 41.859 40.800 -0.090 0.000 1.059 326 D HN 0.902 nan 8.370 nan 0.000 0.512 327 E N 2.158 122.338 120.200 -0.033 0.000 2.209 327 E HA -0.194 4.162 4.350 0.011 0.000 0.196 327 E C 2.093 178.719 176.600 0.044 0.000 0.993 327 E CA 1.357 57.810 56.400 0.087 0.000 0.819 327 E CB -0.738 29.073 29.700 0.184 0.000 0.745 327 E HN 0.684 nan 8.360 nan 0.000 0.477 328 C N 0.086 119.358 119.300 -0.045 0.000 2.475 328 C HA 0.077 4.543 4.460 0.011 0.000 0.279 328 C C 2.653 177.540 174.990 -0.172 0.000 1.322 328 C CA 0.802 59.775 59.018 -0.074 0.000 1.734 328 C CB -0.212 27.489 27.740 -0.066 0.000 2.005 328 C HN 0.812 nan 8.230 nan 0.000 0.495 329 E N 0.808 120.857 120.200 -0.251 0.000 2.028 329 E HA -0.170 4.187 4.350 0.011 0.000 0.190 329 E C 1.854 177.932 176.600 -0.870 0.000 0.984 329 E CA 1.085 57.224 56.400 -0.436 0.000 0.800 329 E CB -0.116 29.385 29.700 -0.332 0.000 0.758 329 E HN 0.390 nan 8.360 nan 0.000 0.448 330 L N 1.064 121.799 121.223 -0.812 0.000 2.187 330 L HA -0.144 4.203 4.340 0.011 0.000 0.213 330 L C 2.344 178.929 176.870 -0.476 0.000 1.100 330 L CA 1.661 55.922 54.840 -0.965 0.000 0.765 330 L CB -0.672 40.685 42.059 -1.170 0.000 0.904 330 L HN 0.207 nan 8.230 nan 0.000 0.437 331 A N -1.290 121.424 122.820 -0.177 0.000 2.168 331 A HA -0.133 4.194 4.320 0.011 0.000 0.215 331 A C 2.318 179.848 177.584 -0.090 0.000 1.152 331 A CA 1.647 53.708 52.037 0.041 0.000 0.716 331 A CB -0.801 18.230 19.000 0.052 0.000 0.794 331 A HN 0.514 nan 8.150 nan 0.000 0.465 332 T N -3.698 110.692 114.554 -0.272 0.000 3.057 332 T HA 0.257 4.613 4.350 0.011 0.000 0.254 332 T C 0.394 175.065 174.700 -0.048 0.000 1.094 332 T CA -0.342 61.652 62.100 -0.177 0.000 1.088 332 T CB -0.412 68.336 68.868 -0.200 0.000 0.934 332 T HN 0.037 nan 8.240 nan 0.000 0.497 333 F N 3.081 123.012 119.950 -0.031 0.000 2.490 333 F HA 0.463 4.997 4.527 0.011 0.000 0.336 333 F C -2.014 173.766 175.800 -0.034 0.000 1.178 333 F CA -3.019 54.953 58.000 -0.047 0.000 1.301 333 F CB -0.558 38.393 39.000 -0.082 0.000 1.175 333 F HN -0.028 nan 8.300 nan 0.000 0.593 334 P HA 0.090 nan 4.420 nan 0.000 0.269 334 P C -2.088 175.226 177.300 0.024 0.000 1.215 334 P CA -0.851 62.281 63.100 0.053 0.000 0.780 334 P CB 0.149 31.851 31.700 0.004 0.000 0.898 335 P HA -0.077 nan 4.420 nan 0.000 0.218 335 P C 1.046 178.273 177.300 -0.122 0.000 1.148 335 P CA 1.633 64.698 63.100 -0.058 0.000 0.822 335 P CB -0.070 31.596 31.700 -0.056 0.000 0.784 336 G N -1.380 107.345 108.800 -0.125 0.000 3.690 336 G HA2 0.127 4.093 3.960 0.011 0.000 0.283 336 G HA3 0.127 4.093 3.960 0.011 0.000 0.283 336 G C 0.251 175.022 174.900 -0.215 0.000 1.057 336 G CA 0.080 45.067 45.100 -0.187 0.000 0.821 336 G HN 0.241 nan 8.290 nan 0.000 0.526 337 S N 0.353 115.951 115.700 -0.170 0.000 2.614 337 S HA 0.244 4.720 4.470 0.011 0.000 0.265 337 S C 1.083 175.505 174.600 -0.296 0.000 1.303 337 S CA 0.112 58.191 58.200 -0.201 0.000 1.000 337 S CB 1.076 64.188 63.200 -0.147 0.000 0.935 337 S HN 0.345 nan 8.310 nan 0.000 0.551 338 D N 1.977 122.182 120.400 -0.325 0.000 2.402 338 D HA 0.092 4.738 4.640 0.011 0.000 0.216 338 D C 1.237 177.411 176.300 -0.210 0.000 1.128 338 D CA 0.130 53.907 54.000 -0.372 0.000 0.833 338 D CB -0.154 40.418 40.800 -0.381 0.000 0.971 338 D HN 0.531 nan 8.370 nan 0.000 0.503 339 M N -0.213 119.228 119.600 -0.263 0.000 2.287 339 M HA -0.036 4.451 4.480 0.011 0.000 0.266 339 M C 1.844 178.027 176.300 -0.195 0.000 1.079 339 M CA 1.037 56.126 55.300 -0.351 0.000 1.146 339 M CB 0.014 32.111 32.600 -0.839 0.000 1.374 339 M HN -0.118 nan 8.290 nan 0.000 0.435 340 Q N 1.092 120.845 119.800 -0.078 0.000 2.002 340 Q HA -0.259 4.087 4.340 0.011 0.000 0.204 340 Q C 2.026 178.017 176.000 -0.015 0.000 0.988 340 Q CA 2.347 58.087 55.803 -0.105 0.000 0.843 340 Q CB -0.544 28.145 28.738 -0.083 0.000 0.908 340 Q HN 0.616 nan 8.270 nan 0.000 0.420 341 Q N -0.016 119.898 119.800 0.189 0.000 2.124 341 Q HA -0.074 4.273 4.340 0.011 0.000 0.202 341 Q C 1.917 177.973 176.000 0.092 0.000 0.977 341 Q CA 1.712 57.660 55.803 0.241 0.000 0.850 341 Q CB -0.686 28.149 28.738 0.162 0.000 0.901 341 Q HN 0.296 nan 8.270 nan 0.000 0.429 342 A N 1.002 123.844 122.820 0.037 0.000 1.972 342 A HA 0.039 4.365 4.320 0.011 0.000 0.219 342 A C 2.381 179.955 177.584 -0.018 0.000 1.169 342 A CA 1.795 53.836 52.037 0.007 0.000 0.635 342 A CB -1.036 17.950 19.000 -0.025 0.000 0.810 342 A HN 0.596 nan 8.150 nan 0.000 0.446 343 A N -0.788 122.008 122.820 -0.040 0.000 1.898 343 A HA 0.125 4.452 4.320 0.011 0.000 0.214 343 A C 2.194 179.748 177.584 -0.050 0.000 1.183 343 A CA 1.462 53.467 52.037 -0.053 0.000 0.622 343 A CB -0.730 18.224 19.000 -0.077 0.000 0.824 343 A HN 0.330 nan 8.150 nan 0.000 0.444 344 V N -0.282 119.611 119.914 -0.036 0.000 2.307 344 V HA -0.204 3.922 4.120 0.011 0.000 0.245 344 V C 2.556 178.646 176.094 -0.006 0.000 1.045 344 V CA 1.910 64.210 62.300 -0.001 0.000 1.024 344 V CB -0.716 31.180 31.823 0.123 0.000 0.651 344 V HN 0.344 nan 8.190 nan 0.000 0.449 345 V N 0.505 120.420 119.914 0.001 0.000 2.392 345 V HA -0.271 3.856 4.120 0.011 0.000 0.249 345 V C 2.689 178.766 176.094 -0.028 0.000 1.059 345 V CA 1.906 64.193 62.300 -0.023 0.000 1.051 345 V CB -1.120 30.695 31.823 -0.013 0.000 0.658 345 V HN 0.570 nan 8.190 nan 0.000 0.455 346 A N 0.330 123.136 122.820 -0.023 0.000 2.019 346 A HA -0.119 4.207 4.320 0.011 0.000 0.219 346 A C 1.991 179.558 177.584 -0.029 0.000 1.164 346 A CA 2.030 54.053 52.037 -0.024 0.000 0.644 346 A CB -0.475 18.511 19.000 -0.022 0.000 0.805 346 A HN 0.793 nan 8.150 nan 0.000 0.449 347 I N -3.252 117.295 120.570 -0.038 0.000 4.147 347 I HA 0.113 4.290 4.170 0.011 0.000 0.329 347 I C 1.644 177.722 176.117 -0.065 0.000 1.424 347 I CA 0.504 61.775 61.300 -0.049 0.000 1.127 347 I CB -0.229 37.737 38.000 -0.056 0.000 1.128 347 I HN 0.366 nan 8.210 nan 0.000 0.417 348 Q N 1.366 121.129 119.800 -0.062 0.000 2.135 348 Q HA -0.172 4.175 4.340 0.011 0.000 0.204 348 Q C 1.026 176.983 176.000 -0.072 0.000 0.981 348 Q CA 1.638 57.394 55.803 -0.078 0.000 0.856 348 Q CB -0.534 28.146 28.738 -0.097 0.000 0.902 348 Q HN 0.501 nan 8.270 nan 0.000 0.425 349 E N 0.810 120.979 120.200 -0.052 0.000 2.516 349 E HA -0.071 4.285 4.350 0.011 0.000 0.199 349 E C 0.397 176.980 176.600 -0.028 0.000 1.069 349 E CA 0.649 57.031 56.400 -0.030 0.000 0.876 349 E CB 0.256 29.948 29.700 -0.014 0.000 0.843 349 E HN 0.632 nan 8.360 nan 0.000 0.530 350 E N 0.837 121.006 120.200 -0.051 0.000 2.789 350 E HA 0.011 4.368 4.350 0.011 0.000 0.217 350 E C -0.384 176.146 176.600 -0.117 0.000 0.970 350 E CA -0.158 56.216 56.400 -0.044 0.000 1.201 350 E CB 0.612 30.299 29.700 -0.021 0.000 1.069 350 E HN 0.177 nan 8.360 nan 0.000 0.499 351 D N -0.231 120.052 120.400 -0.195 0.000 2.506 351 D HA 0.121 4.768 4.640 0.011 0.000 0.272 351 D C -2.022 173.942 176.300 -0.561 0.000 1.214 351 D CA -2.006 51.770 54.000 -0.372 0.000 1.067 351 D CB 0.276 40.912 40.800 -0.272 0.000 1.117 351 D HN -0.265 nan 8.370 nan 0.000 0.578 352 P HA 0.115 nan 4.420 nan 0.000 0.257 352 P C -0.932 176.113 177.300 -0.424 0.000 1.281 352 P CA 0.089 62.484 63.100 -1.176 0.000 0.826 352 P CB -0.273 30.513 31.700 -1.524 0.000 1.237 353 Y N 1.153 121.281 120.300 -0.287 0.000 2.387 353 Y HA 0.631 5.188 4.550 0.011 0.000 0.336 353 Y C -0.043 175.838 175.900 -0.032 0.000 1.067 353 Y CA -0.414 57.635 58.100 -0.086 0.000 1.114 353 Y CB 1.105 39.514 38.460 -0.086 0.000 1.208 353 Y HN -0.203 nan 8.280 nan 0.000 0.458 354 N N 3.919 122.365 118.700 -0.423 0.000 3.997 354 N HA -0.061 4.686 4.740 0.011 0.000 0.209 354 N C -0.318 175.118 175.510 -0.122 0.000 1.108 354 N CA -0.462 52.475 53.050 -0.188 0.000 1.020 354 N CB 0.325 38.822 38.487 0.018 0.000 1.628 354 N HN 0.733 nan 8.380 nan 0.000 0.588 355 W N 2.253 123.479 121.300 -0.124 0.000 2.342 355 W HA 0.066 4.732 4.660 0.010 0.000 0.297 355 W C 1.671 177.882 176.519 -0.513 0.000 1.213 355 W CA 2.419 59.722 57.345 -0.070 0.000 1.251 355 W CB -0.719 28.887 29.460 0.244 0.000 1.136 355 W HN 0.912 nan 8.180 nan 0.000 0.526 356 G N -2.135 106.352 108.800 -0.522 0.000 2.135 356 G HA2 -0.294 3.672 3.960 0.011 0.000 0.183 356 G HA3 -0.294 3.672 3.960 0.011 0.000 0.183 356 G C -0.204 174.135 174.900 -0.935 0.000 1.004 356 G CA -0.237 43.854 45.100 -1.683 0.000 0.677 356 G HN 0.251 nan 8.290 nan 0.000 0.512 357 Y N 1.575 121.779 120.300 -0.160 0.000 3.007 357 Y HA 0.315 4.871 4.550 0.010 0.000 0.390 357 Y C 0.863 176.887 175.900 0.206 0.000 1.065 357 Y CA -0.271 57.881 58.100 0.086 0.000 1.845 357 Y CB 0.043 38.632 38.460 0.214 0.000 1.828 357 Y HN 0.237 nan 8.280 nan 0.000 0.458 358 N N 1.021 119.852 118.700 0.219 0.000 2.752 358 N HA 0.203 4.949 4.740 0.011 0.000 0.260 358 N C -3.186 172.480 175.510 0.259 0.000 1.562 358 N CA -1.450 51.764 53.050 0.272 0.000 0.788 358 N CB 1.207 39.847 38.487 0.255 0.000 1.192 358 N HN 0.062 nan 8.380 nan 0.000 0.503 359 P HA 0.050 nan 4.420 nan 0.000 0.265 359 P C 0.658 178.000 177.300 0.070 0.000 1.193 359 P CA -0.061 63.257 63.100 0.363 0.000 0.765 359 P CB 1.468 33.353 31.700 0.308 0.000 0.823 360 V N 3.166 123.094 119.914 0.023 0.000 3.029 360 V HA 0.216 4.342 4.120 0.011 0.000 0.230 360 V C 0.518 176.542 176.094 -0.117 0.000 1.254 360 V CA 0.551 62.798 62.300 -0.088 0.000 1.276 360 V CB -0.027 31.686 31.823 -0.183 0.000 1.080 360 V HN 0.333 nan 8.190 nan 0.000 0.495 361 L N -0.095 121.167 121.223 0.065 0.000 2.439 361 L HA 0.338 4.684 4.340 0.011 0.000 0.270 361 L C 0.082 177.057 176.870 0.176 0.000 0.972 361 L CA -0.487 54.369 54.840 0.027 0.000 0.836 361 L CB 2.452 44.620 42.059 0.183 0.000 1.255 361 L HN 0.321 nan 8.230 nan 0.000 0.404 362 W N 2.102 123.440 121.300 0.064 0.000 2.584 362 W HA 0.063 4.729 4.660 0.010 0.000 0.264 362 W C 1.587 178.310 176.519 0.339 0.000 1.264 362 W CA 0.577 57.911 57.345 -0.017 0.000 1.306 362 W CB -0.194 29.259 29.460 -0.012 0.000 1.110 362 W HN 0.698 nan 8.180 nan 0.000 0.606 363 G N -0.014 109.043 108.800 0.429 0.000 3.434 363 G HA2 0.318 4.285 3.960 0.011 0.000 0.258 363 G HA3 0.318 4.285 3.960 0.011 0.000 0.258 363 G C -0.508 174.423 174.900 0.052 0.000 1.128 363 G CA 0.050 45.264 45.100 0.190 0.000 0.792 363 G HN -0.115 nan 8.290 nan 0.000 0.539 364 V N 0.620 120.750 119.914 0.360 0.000 2.638 364 V HA 0.361 4.487 4.120 0.011 0.000 0.306 364 V C -2.455 173.909 176.094 0.450 0.000 1.052 364 V CA -2.029 60.432 62.300 0.267 0.000 0.885 364 V CB 2.903 34.844 31.823 0.196 0.000 0.999 364 V HN -0.071 nan 8.190 nan 0.000 0.424 365 P HA 0.122 nan 4.420 nan 0.000 0.268 365 P C -0.658 176.901 177.300 0.431 0.000 1.205 365 P CA -0.354 62.990 63.100 0.407 0.000 0.771 365 P CB 0.450 32.298 31.700 0.247 0.000 0.858 366 K N 2.397 123.080 120.400 0.472 0.000 2.447 366 K HA 0.139 4.465 4.320 0.011 0.000 0.281 366 K C 1.570 178.240 176.600 0.116 0.000 1.031 366 K CA 0.634 56.987 56.287 0.110 0.000 1.019 366 K CB -0.544 31.797 32.500 -0.266 0.000 0.918 366 K HN 0.553 nan 8.250 nan 0.000 0.476 367 G N 2.194 111.010 108.800 0.025 0.000 2.422 367 G HA2 -0.282 3.685 3.960 0.011 0.000 0.218 367 G HA3 -0.282 3.685 3.960 0.011 0.000 0.218 367 G C 1.293 176.205 174.900 0.019 0.000 1.146 367 G CA 0.983 46.111 45.100 0.047 0.000 0.769 367 G HN 0.758 nan 8.290 nan 0.000 0.547 368 S N -0.487 115.154 115.700 -0.098 0.000 2.474 368 S HA -0.038 4.438 4.470 0.011 0.000 0.235 368 S C 1.843 176.515 174.600 0.120 0.000 0.997 368 S CA 0.770 59.000 58.200 0.051 0.000 0.949 368 S CB -0.414 62.805 63.200 0.032 0.000 0.766 368 S HN 0.357 nan 8.310 nan 0.000 0.517 369 Y N 1.886 122.133 120.300 -0.088 0.000 2.466 369 Y HA 0.622 5.178 4.550 0.011 0.000 0.272 369 Y C 1.288 177.012 175.900 -0.294 0.000 1.169 369 Y CA -1.149 56.699 58.100 -0.420 0.000 1.285 369 Y CB -0.903 36.844 38.460 -1.189 0.000 1.078 369 Y HN 0.422 nan 8.280 nan 0.000 0.523 370 A N -0.186 122.750 122.820 0.193 0.000 2.269 370 A HA 0.471 4.797 4.320 0.011 0.000 0.319 370 A C 1.394 179.095 177.584 0.196 0.000 1.110 370 A CA 0.166 52.390 52.037 0.313 0.000 0.847 370 A CB 0.492 19.689 19.000 0.327 0.000 1.161 370 A HN 0.231 nan 8.150 nan 0.000 0.497 371 S N -0.545 115.267 115.700 0.187 0.000 2.436 371 S HA 0.023 4.499 4.470 0.011 0.000 0.228 371 S C 0.148 174.783 174.600 0.058 0.000 1.014 371 S CA 1.236 59.507 58.200 0.119 0.000 0.950 371 S CB -0.057 63.218 63.200 0.125 0.000 0.784 371 S HN 0.730 nan 8.310 nan 0.000 0.504 372 D N 0.699 121.135 120.400 0.061 0.000 2.763 372 D HA 0.408 5.054 4.640 0.011 0.000 0.235 372 D C -2.565 173.737 176.300 0.003 0.000 1.334 372 D CA -2.059 51.944 54.000 0.005 0.000 0.950 372 D CB 2.070 42.865 40.800 -0.008 0.000 1.433 372 D HN -0.178 nan 8.370 nan 0.000 0.580 373 P HA -0.026 nan 4.420 nan 0.000 0.216 373 P C -0.361 176.899 177.300 -0.068 0.000 1.150 373 P CA 0.881 63.961 63.100 -0.034 0.000 0.837 373 P CB 0.307 31.964 31.700 -0.071 0.000 0.786 374 D N -0.371 119.959 120.400 -0.116 0.000 2.225 374 D HA 0.454 5.100 4.640 0.011 0.000 0.248 374 D C 1.169 177.329 176.300 -0.233 0.000 1.096 374 D CA 0.477 54.365 54.000 -0.187 0.000 0.863 374 D CB 1.209 41.879 40.800 -0.217 0.000 1.156 374 D HN 0.116 nan 8.370 nan 0.000 0.450 375 G N 3.150 111.674 108.800 -0.460 0.000 2.447 375 G HA2 -0.159 3.807 3.960 0.011 0.000 0.220 375 G HA3 -0.159 3.807 3.960 0.011 0.000 0.220 375 G C -2.311 172.404 174.900 -0.309 0.000 1.261 375 G CA -0.669 44.077 45.100 -0.591 0.000 1.000 375 G HN 0.379 nan 8.290 nan 0.000 0.515 376 P HA 0.121 nan 4.420 nan 0.000 0.245 376 P C 1.956 179.347 177.300 0.151 0.000 1.203 376 P CA 1.703 64.937 63.100 0.224 0.000 0.792 376 P CB 0.308 32.157 31.700 0.248 0.000 0.997 377 S N 2.005 117.769 115.700 0.107 0.000 2.387 377 S HA -0.259 4.217 4.470 0.011 0.000 0.230 377 S C 2.092 176.813 174.600 0.201 0.000 1.035 377 S CA 1.257 59.538 58.200 0.135 0.000 1.014 377 S CB -0.963 62.307 63.200 0.117 0.000 0.836 377 S HN 0.255 nan 8.310 nan 0.000 0.466 378 R N 0.866 121.500 120.500 0.223 0.000 2.115 378 R HA 0.150 4.496 4.340 0.011 0.000 0.230 378 R C 2.209 178.662 176.300 0.255 0.000 1.111 378 R CA 1.443 57.732 56.100 0.316 0.000 0.976 378 R CB -0.690 29.799 30.300 0.315 0.000 0.870 378 R HN 0.478 nan 8.270 nan 0.000 0.445 379 I N 1.204 121.908 120.570 0.222 0.000 2.235 379 I HA -0.177 3.999 4.170 0.011 0.000 0.241 379 I C 2.430 178.625 176.117 0.130 0.000 1.085 379 I CA 1.138 62.570 61.300 0.219 0.000 1.378 379 I CB -0.220 37.869 38.000 0.148 0.000 1.076 379 I HN 0.084 nan 8.210 nan 0.000 0.415 380 I N 0.793 121.404 120.570 0.068 0.000 2.163 380 I HA -0.293 3.884 4.170 0.011 0.000 0.243 380 I C 2.394 178.532 176.117 0.035 0.000 1.085 380 I CA 1.670 62.968 61.300 -0.003 0.000 1.347 380 I CB -0.577 37.438 38.000 0.024 0.000 1.044 380 I HN 0.254 nan 8.210 nan 0.000 0.408 381 E N -0.072 120.197 120.200 0.115 0.000 2.153 381 E HA -0.248 4.108 4.350 0.011 0.000 0.194 381 E C 2.095 178.718 176.600 0.038 0.000 0.988 381 E CA 1.211 57.702 56.400 0.151 0.000 0.811 381 E CB -0.197 29.685 29.700 0.302 0.000 0.746 381 E HN 0.476 nan 8.360 nan 0.000 0.466 382 Y N 1.719 121.874 120.300 -0.241 0.000 2.145 382 Y HA -0.196 4.361 4.550 0.011 0.000 0.286 382 Y C 2.237 178.072 175.900 -0.109 0.000 1.145 382 Y CA 1.645 59.463 58.100 -0.469 0.000 1.148 382 Y CB 0.054 38.223 38.460 -0.484 0.000 0.981 382 Y HN -0.156 nan 8.280 nan 0.000 0.507 383 R N -0.251 120.369 120.500 0.200 0.000 2.091 383 R HA -0.215 4.131 4.340 0.011 0.000 0.238 383 R C 2.271 178.641 176.300 0.117 0.000 1.136 383 R CA 1.897 58.014 56.100 0.028 0.000 0.959 383 R CB -0.399 29.443 30.300 -0.762 0.000 0.856 383 R HN 0.508 nan 8.270 nan 0.000 0.437 384 Q N 0.092 119.925 119.800 0.055 0.000 2.170 384 Q HA -0.167 4.180 4.340 0.011 0.000 0.203 384 Q C 2.126 178.187 176.000 0.101 0.000 0.976 384 Q CA 1.400 57.267 55.803 0.107 0.000 0.858 384 Q CB -0.071 28.727 28.738 0.099 0.000 0.907 384 Q HN 0.389 nan 8.270 nan 0.000 0.433 385 M N 0.034 119.643 119.600 0.015 0.000 2.132 385 M HA -0.147 4.340 4.480 0.011 0.000 0.263 385 M C 1.910 178.126 176.300 -0.139 0.000 1.065 385 M CA 1.229 56.466 55.300 -0.105 0.000 1.122 385 M CB 0.123 32.517 32.600 -0.343 0.000 1.365 385 M HN 0.036 nan 8.290 nan 0.000 0.411 386 V N 0.762 120.647 119.914 -0.049 0.000 2.343 386 V HA -0.296 3.830 4.120 0.011 0.000 0.247 386 V C 2.409 178.569 176.094 0.111 0.000 1.051 386 V CA 2.305 64.638 62.300 0.055 0.000 1.036 386 V CB -1.029 30.962 31.823 0.280 0.000 0.654 386 V HN 0.640 nan 8.190 nan 0.000 0.451 387 Q N -0.113 119.814 119.800 0.212 0.000 2.084 387 Q HA -0.195 4.152 4.340 0.011 0.000 0.202 387 Q C 2.240 178.300 176.000 0.101 0.000 0.978 387 Q CA 1.880 57.793 55.803 0.183 0.000 0.844 387 Q CB -0.256 28.648 28.738 0.277 0.000 0.898 387 Q HN 0.631 nan 8.270 nan 0.000 0.426 388 A N 0.506 123.384 122.820 0.097 0.000 1.969 388 A HA -0.113 4.213 4.320 0.011 0.000 0.218 388 A C 1.980 179.602 177.584 0.064 0.000 1.169 388 A CA 0.956 53.049 52.037 0.093 0.000 0.635 388 A CB -0.470 18.615 19.000 0.143 0.000 0.810 388 A HN 0.437 nan 8.150 nan 0.000 0.445 389 L N -0.813 120.421 121.223 0.018 0.000 2.131 389 L HA -0.129 4.217 4.340 0.011 0.000 0.206 389 L C 2.241 179.099 176.870 -0.021 0.000 1.087 389 L CA 1.225 56.055 54.840 -0.017 0.000 0.767 389 L CB -0.555 41.445 42.059 -0.099 0.000 0.917 389 L HN 0.481 nan 8.230 nan 0.000 0.441 390 N N -0.039 118.654 118.700 -0.012 0.000 2.166 390 N HA -0.154 4.592 4.740 0.011 0.000 0.186 390 N C 1.758 177.258 175.510 -0.016 0.000 1.019 390 N CA 0.747 53.783 53.050 -0.022 0.000 0.856 390 N CB 0.001 38.480 38.487 -0.013 0.000 0.993 390 N HN 0.241 nan 8.380 nan 0.000 0.426 391 R N 0.960 121.463 120.500 0.006 0.000 2.280 391 R HA 0.033 4.380 4.340 0.011 0.000 0.207 391 R C 1.386 177.687 176.300 0.002 0.000 1.043 391 R CA 0.630 56.735 56.100 0.008 0.000 1.006 391 R CB -0.084 30.232 30.300 0.027 0.000 0.885 391 R HN 0.458 nan 8.270 nan 0.000 0.467 392 I N -4.084 116.485 120.570 -0.002 0.000 3.877 392 I HA 0.433 4.609 4.170 0.011 0.000 0.332 392 I C 0.517 176.612 176.117 -0.036 0.000 1.525 392 I CA 0.044 61.338 61.300 -0.011 0.000 1.146 392 I CB 0.804 38.807 38.000 0.005 0.000 1.137 392 I HN 0.098 nan 8.210 nan 0.000 0.424 393 G N 1.799 110.572 108.800 -0.046 0.000 2.141 393 G HA2 -0.215 3.752 3.960 0.011 0.000 0.242 393 G HA3 -0.215 3.752 3.960 0.011 0.000 0.242 393 G C -0.195 174.649 174.900 -0.092 0.000 0.982 393 G CA 0.066 45.124 45.100 -0.069 0.000 0.662 393 G HN 0.415 nan 8.290 nan 0.000 0.527 394 L N 0.496 121.669 121.223 -0.084 0.000 2.313 394 L HA 0.603 4.949 4.340 0.011 0.000 0.283 394 L C 0.993 177.782 176.870 -0.135 0.000 1.013 394 L CA -1.023 53.753 54.840 -0.106 0.000 0.816 394 L CB 1.449 43.470 42.059 -0.064 0.000 1.236 394 L HN 0.092 nan 8.230 nan 0.000 0.419 395 R N 1.476 121.824 120.500 -0.253 0.000 2.577 395 R HA 0.595 4.942 4.340 0.011 0.000 0.269 395 R C -0.902 175.339 176.300 -0.099 0.000 1.084 395 R CA -0.628 55.327 56.100 -0.241 0.000 1.163 395 R CB 1.528 31.529 30.300 -0.498 0.000 1.100 395 R HN 0.299 nan 8.270 nan 0.000 0.547 396 V N 2.167 122.069 119.914 -0.019 0.000 2.495 396 V HA 0.354 4.481 4.120 0.011 0.000 0.298 396 V C -0.432 175.663 176.094 0.001 0.000 1.031 396 V CA -0.725 61.570 62.300 -0.009 0.000 0.871 396 V CB 1.877 33.666 31.823 -0.056 0.000 0.988 396 V HN 0.398 nan 8.190 nan 0.000 0.432 397 V N 5.635 125.554 119.914 0.009 0.000 2.495 397 V HA 0.495 4.621 4.120 0.011 0.000 0.298 397 V C -0.050 175.921 176.094 -0.205 0.000 1.031 397 V CA -0.499 61.744 62.300 -0.095 0.000 0.871 397 V CB 1.850 33.719 31.823 0.077 0.000 0.988 397 V HN 0.817 nan 8.190 nan 0.000 0.432 398 M N 3.351 122.723 119.600 -0.381 0.000 2.264 398 M HA 0.369 4.855 4.480 0.011 0.000 0.352 398 M C -0.330 175.780 176.300 -0.316 0.000 1.173 398 M CA -0.424 54.692 55.300 -0.306 0.000 1.075 398 M CB 1.126 33.519 32.600 -0.346 0.000 1.621 398 M HN 0.541 nan 8.290 nan 0.000 0.457 399 D N 3.612 123.875 120.400 -0.229 0.000 2.352 399 D HA 0.282 4.928 4.640 0.011 0.000 0.245 399 D C -0.998 175.202 176.300 -0.168 0.000 1.224 399 D CA -0.133 53.752 54.000 -0.191 0.000 0.879 399 D CB 0.663 41.471 40.800 0.013 0.000 1.057 399 D HN 0.382 nan 8.370 nan 0.000 0.491 400 V N 1.790 121.490 119.914 -0.357 0.000 2.427 400 V HA 0.540 4.667 4.120 0.011 0.000 0.286 400 V C 0.087 175.787 176.094 -0.658 0.000 1.034 400 V CA -0.801 61.101 62.300 -0.664 0.000 0.893 400 V CB 1.701 32.903 31.823 -1.035 0.000 0.982 400 V HN 0.167 nan 8.190 nan 0.000 0.452 401 V N 6.202 125.688 119.914 -0.714 0.000 2.276 401 V HA 0.332 4.458 4.120 0.011 0.000 0.268 401 V C -0.443 175.328 176.094 -0.538 0.000 1.032 401 V CA -0.135 61.970 62.300 -0.326 0.000 0.810 401 V CB 0.096 32.018 31.823 0.165 0.000 1.060 401 V HN 0.935 nan 8.190 nan 0.000 0.446 402 Y N 1.968 122.068 120.300 -0.334 0.000 2.485 402 Y HA 0.090 4.647 4.550 0.010 0.000 0.260 402 Y C 1.900 177.785 175.900 -0.026 0.000 1.173 402 Y CA -0.368 57.423 58.100 -0.515 0.000 1.252 402 Y CB -0.442 37.606 38.460 -0.687 0.000 1.123 402 Y HN 0.756 nan 8.280 nan 0.000 0.524 403 N N -0.368 118.447 118.700 0.191 0.000 2.424 403 N HA -0.052 4.694 4.740 0.011 0.000 0.178 403 N C 0.358 176.055 175.510 0.312 0.000 1.060 403 N CA 0.685 53.873 53.050 0.232 0.000 0.901 403 N CB 0.026 38.617 38.487 0.174 0.000 0.979 403 N HN 0.335 nan 8.380 nan 0.000 0.451 404 H N -1.897 117.320 119.070 0.244 0.000 2.967 404 H HA 0.432 4.994 4.556 0.010 0.000 0.318 404 H C -1.758 173.734 175.328 0.274 0.000 1.375 404 H CA -1.071 55.111 56.048 0.223 0.000 1.132 404 H CB 0.579 30.424 29.762 0.137 0.000 1.848 404 H HN -0.073 nan 8.280 nan 0.000 0.524 405 L N 0.881 122.219 121.223 0.193 0.000 2.333 405 L HA 0.204 4.550 4.340 0.011 0.000 0.269 405 L C 1.125 178.111 176.870 0.193 0.000 1.010 405 L CA -0.690 54.199 54.840 0.082 0.000 0.818 405 L CB 1.872 43.969 42.059 0.063 0.000 1.306 405 L HN 0.772 nan 8.230 nan 0.000 0.430 406 D N 0.136 120.608 120.400 0.121 0.000 2.117 406 D HA -0.092 4.554 4.640 0.011 0.000 0.197 406 D C 0.150 176.531 176.300 0.135 0.000 0.987 406 D CA 1.338 55.435 54.000 0.162 0.000 0.829 406 D CB 0.477 41.344 40.800 0.112 0.000 0.961 406 D HN 0.477 nan 8.370 nan 0.000 0.460 407 S N -2.089 113.667 115.700 0.094 0.000 2.685 407 S HA 0.683 5.160 4.470 0.011 0.000 0.282 407 S C -1.042 173.605 174.600 0.079 0.000 1.159 407 S CA -0.587 57.661 58.200 0.081 0.000 0.833 407 S CB 2.003 65.238 63.200 0.058 0.000 1.151 407 S HN 0.320 nan 8.310 nan 0.000 0.485 408 S N -0.658 115.089 115.700 0.078 0.000 2.705 408 S HA 0.976 5.452 4.470 0.011 0.000 0.280 408 S C -0.018 174.627 174.600 0.074 0.000 1.174 408 S CA -0.318 57.936 58.200 0.090 0.000 0.823 408 S CB 0.970 64.238 63.200 0.114 0.000 1.162 408 S HN 2.244 nan 8.310 nan 0.000 0.487 409 G N 0.640 109.498 108.800 0.097 0.000 2.757 409 G HA2 0.017 3.983 3.960 0.011 0.000 0.638 409 G HA3 0.017 3.983 3.960 0.011 0.000 0.638 409 G C -2.662 172.236 174.900 -0.003 0.000 1.344 409 G CA -0.195 44.941 45.100 0.060 0.000 0.855 409 G HN 0.668 nan 8.290 nan 0.000 0.537 410 P HA 0.167 nan 4.420 nan 0.000 0.220 410 P C 0.852 178.049 177.300 -0.171 0.000 1.152 410 P CA 1.098 63.954 63.100 -0.407 0.000 0.812 410 P CB 0.244 31.473 31.700 -0.786 0.000 0.792 411 C N 0.204 119.434 119.300 -0.116 0.000 2.350 411 C HA 0.830 5.296 4.460 0.011 0.000 0.348 411 C C 0.838 175.811 174.990 -0.029 0.000 1.260 411 C CA 0.046 59.024 59.018 -0.066 0.000 1.966 411 C CB -0.011 27.693 27.740 -0.060 0.000 2.380 411 C HN 0.486 nan 8.230 nan 0.000 0.535 412 G N 2.097 110.886 108.800 -0.018 0.000 2.653 412 G HA2 -0.012 3.955 3.960 0.011 0.000 0.656 412 G HA3 -0.012 3.955 3.960 0.011 0.000 0.656 412 G C -0.121 174.781 174.900 0.004 0.000 1.419 412 G CA -0.331 44.767 45.100 -0.003 0.000 0.862 412 G HN 0.852 nan 8.290 nan 0.000 0.639 413 I N 0.495 121.068 120.570 0.006 0.000 2.830 413 I HA 0.009 4.185 4.170 0.011 0.000 0.263 413 I C 1.810 177.949 176.117 0.036 0.000 1.230 413 I CA 1.535 62.842 61.300 0.012 0.000 1.480 413 I CB 0.155 38.158 38.000 0.005 0.000 1.095 413 I HN 0.397 nan 8.210 nan 0.000 0.455 414 S N -0.175 115.545 115.700 0.033 0.000 2.575 414 S HA 0.076 4.553 4.470 0.011 0.000 0.215 414 S C 0.717 175.332 174.600 0.025 0.000 0.966 414 S CA -0.007 58.214 58.200 0.036 0.000 0.911 414 S CB -0.045 63.173 63.200 0.030 0.000 0.780 414 S HN 0.421 nan 8.310 nan 0.000 0.514 415 S N 0.760 116.475 115.700 0.024 0.000 2.442 415 S HA 0.540 5.016 4.470 0.011 0.000 0.297 415 S C 0.464 175.073 174.600 0.016 0.000 1.131 415 S CA -0.607 57.606 58.200 0.021 0.000 1.092 415 S CB 0.989 64.209 63.200 0.033 0.000 0.998 415 S HN 0.028 nan 8.310 nan 0.000 0.478 416 V N 5.807 125.713 119.914 -0.013 0.000 3.278 416 V HA 0.127 4.254 4.120 0.011 0.000 0.215 416 V C 2.003 178.072 176.094 -0.043 0.000 1.287 416 V CA 0.242 62.530 62.300 -0.020 0.000 1.302 416 V CB -0.923 30.874 31.823 -0.043 0.000 1.228 416 V HN 0.781 nan 8.190 nan 0.000 0.523 417 L N 0.696 121.831 121.223 -0.147 0.000 1.989 417 L HA -0.196 4.151 4.340 0.011 0.000 0.211 417 L C 2.179 179.079 176.870 0.049 0.000 1.071 417 L CA 2.393 57.078 54.840 -0.260 0.000 0.749 417 L CB -0.582 41.128 42.059 -0.582 0.000 0.890 417 L HN 0.440 nan 8.230 nan 0.000 0.431 418 D N -0.202 120.268 120.400 0.117 0.000 2.371 418 D HA -0.162 4.484 4.640 0.011 0.000 0.221 418 D C 2.046 178.467 176.300 0.203 0.000 0.986 418 D CA 0.674 54.805 54.000 0.219 0.000 0.899 418 D CB 0.152 41.066 40.800 0.189 0.000 0.902 418 D HN 0.133 nan 8.370 nan 0.000 0.530 419 K N -0.465 120.034 120.400 0.165 0.000 2.262 419 K HA 0.072 4.398 4.320 0.011 0.000 0.200 419 K C 1.672 178.360 176.600 0.147 0.000 1.049 419 K CA 0.394 56.808 56.287 0.213 0.000 0.979 419 K CB 0.241 32.818 32.500 0.129 0.000 0.773 419 K HN 0.169 nan 8.250 nan 0.000 0.474 420 I N 0.479 121.112 120.570 0.105 0.000 2.429 420 I HA -0.044 4.132 4.170 0.011 0.000 0.247 420 I C 0.186 176.326 176.117 0.038 0.000 1.099 420 I CA 0.405 61.736 61.300 0.053 0.000 1.422 420 I CB 0.878 38.919 38.000 0.070 0.000 1.112 420 I HN -0.184 nan 8.210 nan 0.000 0.430 421 V N 2.564 122.582 119.914 0.173 0.000 2.383 421 V HA 0.296 4.422 4.120 0.011 0.000 0.264 421 V C -2.532 173.670 176.094 0.180 0.000 1.001 421 V CA -1.527 60.843 62.300 0.117 0.000 0.828 421 V CB 0.294 32.195 31.823 0.130 0.000 1.069 421 V HN 0.004 nan 8.190 nan 0.000 0.451 422 P HA 0.178 nan 4.420 nan 0.000 0.262 422 P C 1.182 178.562 177.300 0.133 0.000 1.182 422 P CA 1.616 64.751 63.100 0.059 0.000 0.761 422 P CB 0.627 32.234 31.700 -0.155 0.000 0.795 423 G N 1.582 110.494 108.800 0.187 0.000 2.179 423 G HA2 -0.356 3.610 3.960 0.011 0.000 0.260 423 G HA3 -0.356 3.610 3.960 0.011 0.000 0.260 423 G C 0.555 175.601 174.900 0.242 0.000 0.977 423 G CA 0.475 45.688 45.100 0.188 0.000 0.641 423 G HN 0.568 nan 8.290 nan 0.000 0.533 424 Y N -0.544 119.849 120.300 0.155 0.000 2.382 424 Y HA 0.376 4.931 4.550 0.010 0.000 0.292 424 Y C 2.556 178.592 175.900 0.226 0.000 1.151 424 Y CA 1.429 59.594 58.100 0.109 0.000 1.198 424 Y CB 0.050 38.506 38.460 -0.008 0.000 1.195 424 Y HN 0.135 nan 8.280 nan 0.000 0.530 425 Y N 0.558 121.123 120.300 0.442 0.000 2.352 425 Y HA 0.010 4.567 4.550 0.011 0.000 0.292 425 Y C 0.896 176.927 175.900 0.218 0.000 1.136 425 Y CA 0.773 59.072 58.100 0.332 0.000 1.227 425 Y CB -0.469 38.183 38.460 0.321 0.000 0.991 425 Y HN -0.061 nan 8.280 nan 0.000 0.545 426 V N -0.796 119.321 119.914 0.338 0.000 2.617 426 V HA 0.426 4.553 4.120 0.011 0.000 0.298 426 V C 0.101 176.315 176.094 0.199 0.000 1.048 426 V CA -1.633 60.815 62.300 0.246 0.000 0.964 426 V CB 1.690 33.646 31.823 0.222 0.000 1.004 426 V HN 0.054 nan 8.190 nan 0.000 0.466 427 R N 2.744 123.331 120.500 0.144 0.000 2.490 427 R HA 0.560 4.906 4.340 0.011 0.000 0.280 427 R C -0.372 176.005 176.300 0.128 0.000 1.077 427 R CA -0.401 55.764 56.100 0.108 0.000 1.065 427 R CB 0.700 31.023 30.300 0.039 0.000 1.003 427 R HN 0.897 nan 8.270 nan 0.000 0.470 428 R N 1.676 122.265 120.500 0.148 0.000 2.795 428 R HA 0.195 4.542 4.340 0.011 0.000 0.275 428 R C -0.806 175.579 176.300 0.142 0.000 0.981 428 R CA -0.963 55.225 56.100 0.146 0.000 0.917 428 R CB 1.390 31.788 30.300 0.164 0.000 1.202 428 R HN 0.767 nan 8.270 nan 0.000 0.469 429 D N -0.215 120.262 120.400 0.129 0.000 2.380 429 D HA -0.057 4.589 4.640 0.011 0.000 0.254 429 D C 0.940 177.400 176.300 0.267 0.000 1.288 429 D CA -0.232 53.856 54.000 0.147 0.000 1.008 429 D CB 0.146 41.017 40.800 0.119 0.000 1.099 429 D HN 0.588 nan 8.370 nan 0.000 0.537 430 T N -3.270 111.476 114.554 0.321 0.000 3.113 430 T HA -0.056 4.300 4.350 0.011 0.000 0.263 430 T C 0.851 175.751 174.700 0.334 0.000 1.143 430 T CA 0.408 62.785 62.100 0.462 0.000 1.090 430 T CB -0.354 68.801 68.868 0.479 0.000 0.922 430 T HN 0.293 nan 8.240 nan 0.000 0.521 431 N N 0.831 119.663 118.700 0.220 0.000 2.280 431 N HA 0.243 4.989 4.740 0.011 0.000 0.192 431 N C 1.540 177.111 175.510 0.102 0.000 1.109 431 N CA 0.750 53.894 53.050 0.158 0.000 0.855 431 N CB 0.615 39.183 38.487 0.134 0.000 0.974 431 N HN 0.660 nan 8.380 nan 0.000 0.482 432 G N 0.687 109.545 108.800 0.097 0.000 2.175 432 G HA2 -0.270 3.696 3.960 0.011 0.000 0.244 432 G HA3 -0.270 3.696 3.960 0.011 0.000 0.244 432 G C 0.123 175.072 174.900 0.082 0.000 0.982 432 G CA -0.097 45.039 45.100 0.060 0.000 0.641 432 G HN 0.374 nan 8.290 nan 0.000 0.527 433 Q N 0.322 120.178 119.800 0.093 0.000 2.293 433 Q HA 0.663 5.009 4.340 0.011 0.000 0.251 433 Q C 0.970 177.027 176.000 0.095 0.000 0.930 433 Q CA -0.451 55.404 55.803 0.087 0.000 0.893 433 Q CB 0.512 29.299 28.738 0.081 0.000 1.215 433 Q HN 0.423 nan 8.270 nan 0.000 0.425 434 I N 3.309 123.935 120.570 0.093 0.000 2.648 434 I HA -0.004 4.173 4.170 0.011 0.000 0.284 434 I C 0.445 176.616 176.117 0.091 0.000 1.153 434 I CA 0.001 61.362 61.300 0.102 0.000 1.426 434 I CB 0.560 38.625 38.000 0.108 0.000 1.381 434 I HN 0.469 nan 8.210 nan 0.000 0.571 435 E N 5.972 126.227 120.200 0.092 0.000 2.289 435 E HA 0.121 4.477 4.350 0.011 0.000 0.278 435 E C -0.236 176.415 176.600 0.084 0.000 1.032 435 E CA -0.058 56.389 56.400 0.079 0.000 0.854 435 E CB 0.793 30.532 29.700 0.066 0.000 1.046 435 E HN 0.453 nan 8.360 nan 0.000 0.409 436 N N 1.148 119.890 118.700 0.071 0.000 2.235 436 N HA -0.038 4.708 4.740 0.011 0.000 0.231 436 N C 1.247 176.783 175.510 0.044 0.000 1.177 436 N CA 0.005 53.088 53.050 0.055 0.000 0.874 436 N CB 0.674 39.188 38.487 0.046 0.000 1.097 436 N HN 0.309 nan 8.380 nan 0.000 0.518 437 S N 1.556 117.302 115.700 0.077 0.000 2.368 437 S HA -0.201 4.276 4.470 0.011 0.000 0.226 437 S C 2.025 176.670 174.600 0.074 0.000 1.044 437 S CA 1.712 59.989 58.200 0.129 0.000 1.062 437 S CB -0.033 63.284 63.200 0.195 0.000 0.931 437 S HN 0.392 nan 8.310 nan 0.000 0.440 438 A N 0.125 122.881 122.820 -0.105 0.000 2.019 438 A HA 0.390 4.716 4.320 0.011 0.000 0.219 438 A C 1.828 179.261 177.584 -0.251 0.000 1.164 438 A CA 2.232 54.109 52.037 -0.266 0.000 0.644 438 A CB -0.668 18.156 19.000 -0.294 0.000 0.805 438 A HN 1.433 nan 8.150 nan 0.000 0.449 439 A N -3.504 119.171 122.820 -0.242 0.000 3.421 439 A HA 0.367 4.693 4.320 0.011 0.000 0.192 439 A C 0.140 177.638 177.584 -0.143 0.000 1.395 439 A CA 0.591 52.469 52.037 -0.265 0.000 1.256 439 A CB -0.613 18.058 19.000 -0.547 0.000 0.943 439 A HN 1.338 nan 8.150 nan 0.000 0.399 440 M N -2.305 117.225 119.600 -0.117 0.000 2.525 440 M HA 0.487 4.973 4.480 0.011 0.000 0.286 440 M C -1.477 174.907 176.300 0.140 0.000 1.019 440 M CA -0.244 55.077 55.300 0.035 0.000 0.865 440 M CB 1.077 33.712 32.600 0.058 0.000 1.851 440 M HN 0.442 nan 8.290 nan 0.000 0.544 441 N N 0.599 119.383 118.700 0.140 0.000 2.726 441 N HA -0.118 4.628 4.740 0.011 0.000 0.253 441 N C -1.290 174.354 175.510 0.223 0.000 1.059 441 N CA 0.803 53.960 53.050 0.178 0.000 0.701 441 N CB -1.264 37.336 38.487 0.187 0.000 0.899 441 N HN 0.905 nan 8.380 nan 0.000 0.548 442 N N 0.720 119.531 118.700 0.185 0.000 2.407 442 N HA 0.040 4.786 4.740 0.011 0.000 0.250 442 N C 0.947 176.581 175.510 0.208 0.000 1.236 442 N CA 0.442 53.612 53.050 0.199 0.000 0.879 442 N CB 0.485 39.066 38.487 0.155 0.000 1.088 442 N HN 0.445 nan 8.380 nan 0.000 0.450 443 T N -2.127 112.566 114.554 0.233 0.000 2.874 443 T HA 0.629 4.985 4.350 0.011 0.000 0.281 443 T C 0.081 174.849 174.700 0.112 0.000 0.994 443 T CA -1.011 61.228 62.100 0.232 0.000 1.015 443 T CB 1.132 70.196 68.868 0.326 0.000 1.028 443 T HN 0.426 nan 8.240 nan 0.000 0.523 444 A N 1.496 124.338 122.820 0.036 0.000 2.802 444 A HA 0.521 4.848 4.320 0.011 0.000 0.344 444 A C 1.305 178.744 177.584 -0.241 0.000 1.215 444 A CA -0.430 51.470 52.037 -0.229 0.000 0.821 444 A CB -0.146 18.495 19.000 -0.598 0.000 1.099 444 A HN 0.975 nan 8.150 nan 0.000 0.479 445 S N 0.998 116.631 115.700 -0.112 0.000 2.500 445 S HA -0.157 4.319 4.470 0.011 0.000 0.239 445 S C 1.304 175.820 174.600 -0.139 0.000 0.989 445 S CA 1.063 59.209 58.200 -0.090 0.000 0.951 445 S CB -0.195 62.960 63.200 -0.075 0.000 0.759 445 S HN 0.788 nan 8.310 nan 0.000 0.523 446 E N 1.457 121.522 120.200 -0.225 0.000 2.418 446 E HA -0.108 4.248 4.350 0.011 0.000 0.197 446 E C -0.223 176.332 176.600 -0.076 0.000 1.026 446 E CA 0.414 56.698 56.400 -0.194 0.000 0.862 446 E CB -0.701 28.857 29.700 -0.238 0.000 0.799 446 E HN 0.775 nan 8.360 nan 0.000 0.518 447 H N -0.325 118.707 119.070 -0.063 0.000 2.502 447 H HA 0.141 4.704 4.556 0.011 0.000 0.327 447 H C 0.309 175.691 175.328 0.089 0.000 1.099 447 H CA -0.794 55.233 56.048 -0.034 0.000 1.323 447 H CB 1.091 30.605 29.762 -0.414 0.000 1.450 447 H HN -0.079 nan 8.280 nan 0.000 0.502 448 F N 2.337 122.402 119.950 0.192 0.000 2.032 448 F HA -0.345 4.188 4.527 0.011 0.000 0.297 448 F C 1.928 177.765 175.800 0.062 0.000 1.125 448 F CA 1.675 59.732 58.000 0.095 0.000 1.202 448 F CB 0.012 39.057 39.000 0.074 0.000 0.958 448 F HN 0.546 nan 8.300 nan 0.000 0.491 449 M N -0.353 119.414 119.600 0.279 0.000 2.374 449 M HA -0.097 4.389 4.480 0.011 0.000 0.264 449 M C 2.067 178.497 176.300 0.216 0.000 1.067 449 M CA 0.808 56.132 55.300 0.039 0.000 1.103 449 M CB -1.412 30.864 32.600 -0.540 0.000 1.402 449 M HN 0.112 nan 8.290 nan 0.000 0.444 450 V N 0.451 120.540 119.914 0.292 0.000 2.379 450 V HA -0.225 3.902 4.120 0.011 0.000 0.245 450 V C 2.307 178.472 176.094 0.118 0.000 1.044 450 V CA 1.926 64.420 62.300 0.324 0.000 1.036 450 V CB -0.724 31.250 31.823 0.252 0.000 0.664 450 V HN 0.430 nan 8.190 nan 0.000 0.453 451 D N 0.458 120.844 120.400 -0.023 0.000 2.117 451 D HA -0.247 4.400 4.640 0.011 0.000 0.197 451 D C 2.325 178.505 176.300 -0.201 0.000 0.987 451 D CA 1.568 55.475 54.000 -0.156 0.000 0.829 451 D CB -0.021 40.645 40.800 -0.224 0.000 0.961 451 D HN 0.356 nan 8.370 nan 0.000 0.460 452 R N -0.107 120.260 120.500 -0.222 0.000 2.081 452 R HA -0.150 4.197 4.340 0.011 0.000 0.235 452 R C 2.584 178.874 176.300 -0.016 0.000 1.131 452 R CA 0.853 56.851 56.100 -0.169 0.000 0.960 452 R CB -0.403 29.799 30.300 -0.162 0.000 0.856 452 R HN 0.201 nan 8.270 nan 0.000 0.436 453 L N 1.150 122.419 121.223 0.076 0.000 2.083 453 L HA -0.105 4.241 4.340 0.011 0.000 0.209 453 L C 1.975 178.812 176.870 -0.054 0.000 1.083 453 L CA 1.584 56.476 54.840 0.086 0.000 0.752 453 L CB -0.250 41.958 42.059 0.249 0.000 0.899 453 L HN 0.227 nan 8.230 nan 0.000 0.433 454 I N -1.971 118.474 120.570 -0.209 0.000 2.163 454 I HA -0.255 3.922 4.170 0.011 0.000 0.240 454 I C 2.317 178.114 176.117 -0.534 0.000 1.081 454 I CA 1.140 62.039 61.300 -0.667 0.000 1.353 454 I CB -0.401 37.152 38.000 -0.745 0.000 1.054 454 I HN 0.018 nan 8.210 nan 0.000 0.407 455 V N 0.837 120.560 119.914 -0.319 0.000 2.343 455 V HA -0.299 3.827 4.120 0.011 0.000 0.247 455 V C 2.086 178.093 176.094 -0.145 0.000 1.051 455 V CA 1.968 64.132 62.300 -0.226 0.000 1.036 455 V CB -0.682 31.035 31.823 -0.176 0.000 0.654 455 V HN 0.403 nan 8.190 nan 0.000 0.451 456 D N -0.164 120.189 120.400 -0.079 0.000 2.123 456 D HA -0.197 4.450 4.640 0.011 0.000 0.196 456 D C 1.942 178.245 176.300 0.005 0.000 0.992 456 D CA 1.784 55.795 54.000 0.019 0.000 0.833 456 D CB -0.336 40.563 40.800 0.166 0.000 0.954 456 D HN 0.534 nan 8.370 nan 0.000 0.455 457 D N -0.028 120.351 120.400 -0.036 0.000 2.117 457 D HA -0.097 4.549 4.640 0.011 0.000 0.197 457 D C 2.264 178.651 176.300 0.146 0.000 0.987 457 D CA 0.628 54.669 54.000 0.068 0.000 0.829 457 D CB -0.143 40.764 40.800 0.178 0.000 0.961 457 D HN 0.107 nan 8.370 nan 0.000 0.460 458 L N -0.078 121.122 121.223 -0.038 0.000 2.012 458 L HA -0.177 4.170 4.340 0.011 0.000 0.210 458 L C 2.600 179.483 176.870 0.021 0.000 1.073 458 L CA 0.804 55.532 54.840 -0.186 0.000 0.748 458 L CB -0.437 41.359 42.059 -0.437 0.000 0.891 458 L HN 0.208 nan 8.230 nan 0.000 0.431 459 L N -0.296 120.934 121.223 0.012 0.000 2.141 459 L HA -0.212 4.134 4.340 0.011 0.000 0.209 459 L C 2.380 179.315 176.870 0.108 0.000 1.094 459 L CA 1.209 56.083 54.840 0.057 0.000 0.763 459 L CB -0.688 41.376 42.059 0.008 0.000 0.908 459 L HN 0.416 nan 8.230 nan 0.000 0.437 460 N N 0.083 118.825 118.700 0.071 0.000 2.069 460 N HA -0.243 4.503 4.740 0.011 0.000 0.191 460 N C 1.696 177.244 175.510 0.065 0.000 1.031 460 N CA 1.889 54.933 53.050 -0.010 0.000 0.852 460 N CB -0.343 38.042 38.487 -0.170 0.000 1.018 460 N HN 0.261 nan 8.380 nan 0.000 0.423 461 W N 0.421 121.907 121.300 0.311 0.000 2.418 461 W HA 0.200 4.866 4.660 0.010 0.000 0.292 461 W C 2.572 179.353 176.519 0.436 0.000 1.213 461 W CA 0.898 58.495 57.345 0.420 0.000 1.283 461 W CB -0.471 29.246 29.460 0.427 0.000 1.119 461 W HN 0.162 nan 8.180 nan 0.000 0.542 462 A N -0.205 122.982 122.820 0.612 0.000 1.930 462 A HA -0.089 4.237 4.320 0.011 0.000 0.217 462 A C 1.932 179.699 177.584 0.307 0.000 1.175 462 A CA 2.019 54.329 52.037 0.455 0.000 0.627 462 A CB -0.784 18.452 19.000 0.393 0.000 0.815 462 A HN 0.121 nan 8.150 nan 0.000 0.443 463 V N -0.006 120.059 119.914 0.251 0.000 2.521 463 V HA -0.064 4.063 4.120 0.011 0.000 0.239 463 V C 1.846 178.057 176.094 0.195 0.000 1.053 463 V CA 1.401 63.813 62.300 0.186 0.000 1.073 463 V CB -0.691 31.213 31.823 0.135 0.000 0.746 463 V HN 0.473 nan 8.190 nan 0.000 0.476 464 N N -0.753 118.032 118.700 0.141 0.000 2.457 464 N HA -0.043 4.704 4.740 0.011 0.000 0.180 464 N C 1.062 176.493 175.510 -0.132 0.000 1.050 464 N CA 1.151 54.170 53.050 -0.051 0.000 0.906 464 N CB 0.079 38.406 38.487 -0.266 0.000 0.968 464 N HN 0.584 nan 8.380 nan 0.000 0.445 465 Y N -0.185 120.349 120.300 0.391 0.000 2.563 465 Y HA 0.274 4.831 4.550 0.010 0.000 0.250 465 Y C 0.032 176.297 175.900 0.608 0.000 1.126 465 Y CA -0.464 57.968 58.100 0.553 0.000 1.231 465 Y CB 0.570 39.319 38.460 0.483 0.000 1.288 465 Y HN -0.227 nan 8.280 nan 0.000 0.537 466 K N 0.404 121.106 120.400 0.504 0.000 3.096 466 K HA -0.150 4.176 4.320 0.011 0.000 0.266 466 K C -0.425 176.328 176.600 0.255 0.000 1.043 466 K CA 0.264 56.708 56.287 0.261 0.000 0.758 466 K CB -1.859 30.632 32.500 -0.016 0.000 1.260 466 K HN 0.028 nan 8.250 nan 0.000 0.481 467 V N 1.184 121.283 119.914 0.310 0.000 2.811 467 V HA -0.034 4.092 4.120 0.011 0.000 0.302 467 V C 1.438 177.552 176.094 0.033 0.000 1.063 467 V CA 0.329 62.709 62.300 0.134 0.000 1.088 467 V CB 1.211 33.056 31.823 0.036 0.000 0.982 467 V HN 0.285 nan 8.190 nan 0.000 0.485 468 D N 1.895 122.281 120.400 -0.025 0.000 2.379 468 D HA 0.285 4.932 4.640 0.011 0.000 0.208 468 D C 0.563 176.918 176.300 0.093 0.000 1.065 468 D CA 0.871 54.918 54.000 0.079 0.000 0.848 468 D CB 1.343 42.216 40.800 0.121 0.000 0.949 468 D HN 0.732 nan 8.370 nan 0.000 0.509 469 G N 0.077 108.768 108.800 -0.181 0.000 2.489 469 G HA2 0.456 4.422 3.960 0.011 0.000 0.291 469 G HA3 0.456 4.422 3.960 0.011 0.000 0.291 469 G C -1.986 172.563 174.900 -0.585 0.000 1.487 469 G CA -0.839 44.180 45.100 -0.136 0.000 0.795 469 G HN -0.049 nan 8.290 nan 0.000 0.513 470 F N 0.336 120.254 119.950 -0.055 0.000 2.561 470 F HA 0.625 5.158 4.527 0.011 0.000 0.313 470 F C 0.330 175.811 175.800 -0.531 0.000 1.126 470 F CA -0.884 56.929 58.000 -0.312 0.000 0.918 470 F CB 2.606 41.371 39.000 -0.392 0.000 1.199 470 F HN 0.379 nan 8.300 nan 0.000 0.444 471 R N 3.672 123.813 120.500 -0.598 0.000 2.229 471 R HA 0.438 4.784 4.340 0.011 0.000 0.332 471 R C -1.728 174.308 176.300 -0.440 0.000 0.989 471 R CA -0.438 55.177 56.100 -0.807 0.000 0.842 471 R CB 0.448 30.225 30.300 -0.871 0.000 1.119 471 R HN 0.518 nan 8.270 nan 0.000 0.456 472 F N 3.001 122.780 119.950 -0.286 0.000 2.421 472 F HA 0.130 4.663 4.527 0.010 0.000 0.358 472 F C 0.714 176.465 175.800 -0.083 0.000 1.115 472 F CA -0.505 57.404 58.000 -0.151 0.000 1.160 472 F CB 0.810 39.739 39.000 -0.118 0.000 1.123 472 F HN 0.509 nan 8.300 nan 0.000 0.508 473 D N 3.774 124.222 120.400 0.079 0.000 2.425 473 D HA 0.182 4.828 4.640 0.011 0.000 0.247 473 D C 0.365 176.743 176.300 0.130 0.000 1.147 473 D CA 0.132 54.208 54.000 0.126 0.000 0.879 473 D CB 0.516 41.447 40.800 0.219 0.000 1.179 473 D HN 0.585 nan 8.370 nan 0.000 0.456 474 L N 3.514 124.803 121.223 0.111 0.000 3.879 474 L HA -0.262 4.084 4.340 0.011 0.000 0.481 474 L C 1.457 178.413 176.870 0.143 0.000 1.232 474 L CA -0.032 54.903 54.840 0.158 0.000 0.736 474 L CB -1.057 41.087 42.059 0.141 0.000 1.511 474 L HN 0.747 nan 8.230 nan 0.000 0.830 475 M N 0.052 119.684 119.600 0.054 0.000 2.267 475 M HA -0.115 4.372 4.480 0.011 0.000 0.263 475 M C 1.930 178.224 176.300 -0.009 0.000 1.063 475 M CA 2.300 57.605 55.300 0.008 0.000 1.090 475 M CB -0.028 32.523 32.600 -0.083 0.000 1.392 475 M HN 0.588 nan 8.290 nan 0.000 0.422 476 G N -1.754 107.066 108.800 0.033 0.000 2.559 476 G HA2 -0.205 3.761 3.960 0.011 0.000 0.216 476 G HA3 -0.205 3.761 3.960 0.011 0.000 0.216 476 G C 0.660 175.514 174.900 -0.078 0.000 1.126 476 G CA 0.628 45.727 45.100 -0.002 0.000 0.778 476 G HN 0.564 nan 8.290 nan 0.000 0.543 477 H N -0.684 118.343 119.070 -0.071 0.000 2.539 477 H HA 0.357 4.919 4.556 0.010 0.000 0.269 477 H C 0.673 175.963 175.328 -0.063 0.000 0.980 477 H CA -0.209 55.788 56.048 -0.085 0.000 1.152 477 H CB 0.343 30.074 29.762 -0.051 0.000 1.407 477 H HN 0.235 nan 8.280 nan 0.000 0.564 478 I N 1.084 121.668 120.570 0.025 0.000 2.437 478 I HA 0.123 4.299 4.170 0.011 0.000 0.298 478 I C 0.020 176.078 176.117 -0.098 0.000 0.984 478 I CA -0.910 60.370 61.300 -0.032 0.000 1.214 478 I CB 1.234 39.212 38.000 -0.037 0.000 1.365 478 I HN -0.023 nan 8.210 nan 0.000 0.469 479 M N 4.646 124.179 119.600 -0.112 0.000 2.249 479 M HA 0.008 4.494 4.480 0.011 0.000 0.340 479 M C 1.313 177.529 176.300 -0.140 0.000 1.166 479 M CA 0.543 55.768 55.300 -0.125 0.000 1.115 479 M CB 0.046 32.571 32.600 -0.124 0.000 1.606 479 M HN 0.600 nan 8.290 nan 0.000 0.448 480 K N 3.510 123.834 120.400 -0.128 0.000 2.057 480 K HA -0.186 4.140 4.320 0.011 0.000 0.207 480 K C 1.829 178.348 176.600 -0.134 0.000 1.049 480 K CA 1.833 58.040 56.287 -0.133 0.000 0.931 480 K CB 0.081 32.519 32.500 -0.103 0.000 0.714 480 K HN 0.683 nan 8.250 nan 0.000 0.440 481 R N -0.291 120.140 120.500 -0.115 0.000 2.096 481 R HA -0.083 4.263 4.340 0.011 0.000 0.235 481 R C 1.891 178.112 176.300 -0.132 0.000 1.127 481 R CA 1.851 57.886 56.100 -0.107 0.000 0.968 481 R CB -0.996 29.251 30.300 -0.087 0.000 0.861 481 R HN 0.037 nan 8.270 nan 0.000 0.440 482 T N 1.506 115.969 114.554 -0.152 0.000 2.708 482 T HA -0.063 4.294 4.350 0.011 0.000 0.266 482 T C 1.942 176.515 174.700 -0.211 0.000 1.037 482 T CA 1.582 63.575 62.100 -0.179 0.000 1.146 482 T CB -0.090 68.670 68.868 -0.181 0.000 0.865 482 T HN 0.128 nan 8.240 nan 0.000 0.435 483 M N 0.588 120.040 119.600 -0.247 0.000 2.108 483 M HA 0.004 4.491 4.480 0.011 0.000 0.261 483 M C 2.231 178.385 176.300 -0.243 0.000 1.066 483 M CA 1.428 56.528 55.300 -0.333 0.000 1.107 483 M CB -0.979 31.390 32.600 -0.384 0.000 1.356 483 M HN 0.244 nan 8.290 nan 0.000 0.406 484 M N -1.091 118.403 119.600 -0.176 0.000 2.156 484 M HA -0.087 4.399 4.480 0.011 0.000 0.264 484 M C 2.143 178.380 176.300 -0.104 0.000 1.067 484 M CA 1.366 56.590 55.300 -0.126 0.000 1.131 484 M CB -1.323 31.219 32.600 -0.096 0.000 1.368 484 M HN 0.270 nan 8.290 nan 0.000 0.416 485 R N 0.212 120.645 120.500 -0.113 0.000 2.120 485 R HA -0.051 4.295 4.340 0.011 0.000 0.234 485 R C 2.107 178.346 176.300 -0.102 0.000 1.123 485 R CA 1.425 57.466 56.100 -0.100 0.000 0.975 485 R CB -0.078 30.153 30.300 -0.115 0.000 0.866 485 R HN 0.326 nan 8.270 nan 0.000 0.446 486 A N 1.014 123.757 122.820 -0.128 0.000 1.930 486 A HA -0.167 4.159 4.320 0.011 0.000 0.217 486 A C 2.031 179.570 177.584 -0.074 0.000 1.175 486 A CA 1.364 53.331 52.037 -0.116 0.000 0.627 486 A CB -0.393 18.524 19.000 -0.138 0.000 0.815 486 A HN 0.313 nan 8.150 nan 0.000 0.443 487 K N 0.426 120.778 120.400 -0.079 0.000 2.057 487 K HA -0.145 4.181 4.320 0.011 0.000 0.206 487 K C 2.263 178.861 176.600 -0.004 0.000 1.050 487 K CA 1.801 58.064 56.287 -0.040 0.000 0.935 487 K CB -0.161 32.299 32.500 -0.067 0.000 0.715 487 K HN 0.620 nan 8.250 nan 0.000 0.439 488 S N 0.152 115.841 115.700 -0.018 0.000 2.387 488 S HA -0.017 4.460 4.470 0.011 0.000 0.226 488 S C 2.212 176.813 174.600 0.001 0.000 1.026 488 S CA 0.702 58.902 58.200 0.001 0.000 0.972 488 S CB -0.167 63.029 63.200 -0.007 0.000 0.814 488 S HN 0.366 nan 8.310 nan 0.000 0.477 489 A N 2.057 124.865 122.820 -0.021 0.000 1.902 489 A HA 0.164 4.490 4.320 0.011 0.000 0.217 489 A C 2.299 179.869 177.584 -0.025 0.000 1.181 489 A CA 1.342 53.360 52.037 -0.031 0.000 0.623 489 A CB -0.815 18.154 19.000 -0.052 0.000 0.818 489 A HN 0.527 nan 8.150 nan 0.000 0.443 490 L N -1.178 120.046 121.223 0.003 0.000 2.072 490 L HA -0.167 4.179 4.340 0.011 0.000 0.205 490 L C 2.692 179.609 176.870 0.079 0.000 1.079 490 L CA 1.249 56.119 54.840 0.049 0.000 0.752 490 L CB -0.444 41.675 42.059 0.101 0.000 0.906 490 L HN 0.436 nan 8.230 nan 0.000 0.436 491 Q N -0.571 119.280 119.800 0.086 0.000 2.435 491 Q HA -0.083 4.263 4.340 0.011 0.000 0.207 491 Q C 2.086 178.139 176.000 0.089 0.000 0.956 491 Q CA 1.220 57.093 55.803 0.117 0.000 0.917 491 Q CB 0.126 28.944 28.738 0.134 0.000 0.997 491 Q HN 0.547 nan 8.270 nan 0.000 0.497 492 S N -0.607 115.128 115.700 0.057 0.000 2.548 492 S HA 0.130 4.606 4.470 0.011 0.000 0.215 492 S C 0.687 175.332 174.600 0.075 0.000 0.976 492 S CA -0.355 57.881 58.200 0.060 0.000 0.908 492 S CB -0.049 63.178 63.200 0.045 0.000 0.781 492 S HN 0.153 nan 8.310 nan 0.000 0.519 493 L N 3.191 124.431 121.223 0.029 0.000 2.490 493 L HA 0.291 4.637 4.340 0.011 0.000 0.274 493 L C 0.809 177.801 176.870 0.204 0.000 1.201 493 L CA 0.063 54.919 54.840 0.026 0.000 0.869 493 L CB 0.402 42.407 42.059 -0.090 0.000 1.123 493 L HN 0.364 nan 8.230 nan 0.000 0.484 494 T N -2.260 112.531 114.554 0.395 0.000 2.916 494 T HA 0.280 4.637 4.350 0.011 0.000 0.292 494 T C 0.843 175.632 174.700 0.149 0.000 1.055 494 T CA -0.606 61.612 62.100 0.197 0.000 1.009 494 T CB 1.734 70.674 68.868 0.119 0.000 1.118 494 T HN 0.535 nan 8.240 nan 0.000 0.497 495 T N 1.017 115.614 114.554 0.072 0.000 2.788 495 T HA -0.083 4.273 4.350 0.011 0.000 0.268 495 T C 1.158 175.857 174.700 -0.001 0.000 1.044 495 T CA 1.603 63.723 62.100 0.033 0.000 1.139 495 T CB -0.473 68.402 68.868 0.011 0.000 0.867 495 T HN 0.683 nan 8.240 nan 0.000 0.454 496 D N 1.014 121.404 120.400 -0.017 0.000 2.224 496 D HA 0.140 4.786 4.640 0.011 0.000 0.205 496 D C 2.025 178.261 176.300 -0.106 0.000 0.965 496 D CA 0.819 54.791 54.000 -0.047 0.000 0.852 496 D CB -0.172 40.606 40.800 -0.036 0.000 0.947 496 D HN 0.459 nan 8.370 nan 0.000 0.494 497 A N -1.038 121.664 122.820 -0.196 0.000 2.197 497 A HA 0.116 4.442 4.320 0.011 0.000 0.210 497 A C 0.918 178.098 177.584 -0.672 0.000 1.180 497 A CA 0.449 52.205 52.037 -0.468 0.000 0.846 497 A CB -0.056 18.558 19.000 -0.644 0.000 0.884 497 A HN 0.250 nan 8.150 nan 0.000 0.487 498 H N -3.132 115.950 119.070 0.021 0.000 3.899 498 H HA 0.354 4.916 4.556 0.011 0.000 0.260 498 H C 1.292 176.631 175.328 0.017 0.000 1.122 498 H CA 0.232 56.298 56.048 0.029 0.000 1.165 498 H CB 0.821 30.610 29.762 0.045 0.000 1.503 498 H HN 0.551 nan 8.280 nan 0.000 0.671 499 G N 1.222 110.070 108.800 0.081 0.000 2.159 499 G HA2 -0.262 3.704 3.960 0.011 0.000 0.256 499 G HA3 -0.262 3.704 3.960 0.011 0.000 0.256 499 G C 0.130 175.035 174.900 0.009 0.000 0.977 499 G CA 0.420 45.528 45.100 0.013 0.000 0.652 499 G HN 0.718 nan 8.290 nan 0.000 0.531 500 V N -2.819 117.142 119.914 0.078 0.000 2.789 500 V HA 0.789 4.915 4.120 0.011 0.000 0.311 500 V C -0.633 175.518 176.094 0.095 0.000 1.073 500 V CA -1.001 61.341 62.300 0.070 0.000 0.921 500 V CB 2.298 34.178 31.823 0.095 0.000 1.009 500 V HN 0.117 nan 8.190 nan 0.000 0.426 501 D N 3.340 123.787 120.400 0.077 0.000 2.453 501 D HA 0.368 5.014 4.640 0.011 0.000 0.223 501 D C 1.362 177.731 176.300 0.116 0.000 1.183 501 D CA 0.751 54.802 54.000 0.085 0.000 0.933 501 D CB 1.090 41.926 40.800 0.060 0.000 1.038 501 D HN 0.864 nan 8.370 nan 0.000 0.513 502 G N 2.151 111.024 108.800 0.123 0.000 2.462 502 G HA2 -0.275 3.691 3.960 0.011 0.000 0.220 502 G HA3 -0.275 3.691 3.960 0.011 0.000 0.220 502 G C 1.515 176.520 174.900 0.174 0.000 1.121 502 G CA 1.026 46.210 45.100 0.141 0.000 0.758 502 G HN 0.542 nan 8.290 nan 0.000 0.559 503 S N 0.312 116.098 115.700 0.144 0.000 2.469 503 S HA 0.001 4.478 4.470 0.011 0.000 0.238 503 S C 1.884 176.608 174.600 0.206 0.000 0.998 503 S CA 1.062 59.351 58.200 0.149 0.000 0.957 503 S CB -0.031 63.211 63.200 0.069 0.000 0.764 503 S HN 0.230 nan 8.310 nan 0.000 0.514 504 K N 0.713 121.244 120.400 0.218 0.000 2.374 504 K HA 0.391 4.717 4.320 0.011 0.000 0.196 504 K C 0.304 177.223 176.600 0.530 0.000 1.023 504 K CA -0.122 56.334 56.287 0.283 0.000 1.103 504 K CB -0.058 32.544 32.500 0.170 0.000 0.848 504 K HN 0.501 nan 8.250 nan 0.000 0.528 505 I N 1.661 122.499 120.570 0.446 0.000 2.496 505 I HA -0.021 4.155 4.170 0.011 0.000 0.285 505 I C -0.203 176.117 176.117 0.338 0.000 1.080 505 I CA -0.477 61.053 61.300 0.382 0.000 1.404 505 I CB 0.166 38.355 38.000 0.316 0.000 1.403 505 I HN -0.050 nan 8.210 nan 0.000 0.539 506 Y N 7.352 127.689 120.300 0.062 0.000 2.393 506 Y HA 0.663 5.219 4.550 0.011 0.000 0.341 506 Y C -1.152 174.758 175.900 0.016 0.000 0.988 506 Y CA -0.855 57.095 58.100 -0.250 0.000 1.078 506 Y CB 1.222 39.421 38.460 -0.436 0.000 1.203 506 Y HN 0.310 nan 8.280 nan 0.000 0.453 507 L N 7.408 128.178 121.223 -0.756 0.000 2.365 507 L HA 0.578 4.924 4.340 0.011 0.000 0.273 507 L C -1.429 175.124 176.870 -0.528 0.000 1.000 507 L CA -1.194 53.436 54.840 -0.350 0.000 0.819 507 L CB 1.752 43.747 42.059 -0.108 0.000 1.284 507 L HN 0.769 nan 8.230 nan 0.000 0.418 508 Y N 0.425 120.561 120.300 -0.272 0.000 2.677 508 Y HA 0.906 5.463 4.550 0.011 0.000 0.334 508 Y C -0.560 175.359 175.900 0.032 0.000 1.196 508 Y CA -0.971 56.995 58.100 -0.224 0.000 1.059 508 Y CB 1.620 39.925 38.460 -0.258 0.000 1.315 508 Y HN 0.667 nan 8.280 nan 0.000 0.455 509 G N 0.302 109.118 108.800 0.026 0.000 2.550 509 G HA2 0.418 4.384 3.960 0.011 0.000 0.293 509 G HA3 0.418 4.384 3.960 0.011 0.000 0.293 509 G C -2.019 172.923 174.900 0.070 0.000 1.402 509 G CA -1.226 43.919 45.100 0.076 0.000 0.784 509 G HN 0.697 nan 8.290 nan 0.000 0.482 510 E N 0.220 120.373 120.200 -0.079 0.000 2.104 510 E HA 0.374 4.731 4.350 0.011 0.000 0.278 510 E C 0.769 176.994 176.600 -0.625 0.000 1.127 510 E CA -0.004 56.036 56.400 -0.601 0.000 0.897 510 E CB 1.044 30.311 29.700 -0.722 0.000 1.043 510 E HN 0.553 nan 8.360 nan 0.000 0.410 511 G N 4.189 112.605 108.800 -0.641 0.000 3.639 511 G HA2 0.008 3.974 3.960 0.011 0.000 0.279 511 G HA3 0.008 3.974 3.960 0.011 0.000 0.279 511 G C -0.399 174.457 174.900 -0.074 0.000 1.312 511 G CA -0.609 44.319 45.100 -0.287 0.000 1.355 511 G HN 0.497 nan 8.290 nan 0.000 0.595 512 W N 0.148 121.550 121.300 0.170 0.000 2.210 512 W HA 0.327 4.993 4.660 0.010 0.000 0.330 512 W C -0.138 176.531 176.519 0.251 0.000 1.334 512 W CA -1.134 56.359 57.345 0.247 0.000 1.227 512 W CB 0.968 30.659 29.460 0.385 0.000 1.178 512 W HN 0.043 nan 8.180 nan 0.000 0.560 513 D N 4.326 125.010 120.400 0.474 0.000 2.441 513 D HA 0.374 5.021 4.640 0.011 0.000 0.231 513 D C -1.039 175.454 176.300 0.322 0.000 1.073 513 D CA -0.294 53.846 54.000 0.234 0.000 0.850 513 D CB 0.137 41.005 40.800 0.113 0.000 1.062 513 D HN 0.188 nan 8.370 nan 0.000 0.524 514 F N 2.100 122.067 119.950 0.028 0.000 2.741 514 F HA 0.787 5.321 4.527 0.011 0.000 0.313 514 F C 0.085 175.870 175.800 -0.025 0.000 1.153 514 F CA -0.543 57.464 58.000 0.013 0.000 0.931 514 F CB 0.287 39.313 39.000 0.045 0.000 1.335 514 F HN 0.453 nan 8.300 nan 0.000 0.460 515 A N 0.865 123.743 122.820 0.096 0.000 5.823 515 A HA -0.196 4.130 4.320 0.011 0.000 0.273 515 A C 1.615 179.130 177.584 -0.115 0.000 2.094 515 A CA 1.078 53.109 52.037 -0.008 0.000 0.713 515 A CB -2.012 16.964 19.000 -0.040 0.000 1.132 515 A HN 1.651 nan 8.150 nan 0.000 0.363 516 E N 0.251 120.365 120.200 -0.144 0.000 2.338 516 E HA -0.093 4.263 4.350 0.011 0.000 0.197 516 E C 1.639 178.109 176.600 -0.216 0.000 1.007 516 E CA 2.351 58.660 56.400 -0.151 0.000 0.849 516 E CB -0.791 28.827 29.700 -0.136 0.000 0.774 516 E HN 1.721 nan 8.360 nan 0.000 0.506 517 V N -1.703 118.019 119.914 -0.321 0.000 3.608 517 V HA 0.419 4.546 4.120 0.011 0.000 0.269 517 V C 1.304 177.266 176.094 -0.220 0.000 1.245 517 V CA 0.059 62.169 62.300 -0.316 0.000 1.138 517 V CB -0.552 30.980 31.823 -0.486 0.000 0.841 517 V HN 0.283 nan 8.190 nan 0.000 0.451 518 A N 0.727 123.440 122.820 -0.177 0.000 2.466 518 A HA 0.489 4.816 4.320 0.011 0.000 0.238 518 A C 1.203 178.754 177.584 -0.055 0.000 1.074 518 A CA 0.458 52.444 52.037 -0.086 0.000 0.774 518 A CB -0.327 18.654 19.000 -0.030 0.000 1.015 518 A HN 0.665 nan 8.150 nan 0.000 0.498 519 R N 0.538 121.020 120.500 -0.030 0.000 3.758 519 R HA -0.187 4.159 4.340 0.011 0.000 0.299 519 R C 0.063 176.351 176.300 -0.020 0.000 1.182 519 R CA 0.611 56.702 56.100 -0.016 0.000 0.809 519 R CB -1.812 28.487 30.300 -0.002 0.000 1.249 519 R HN 0.930 nan 8.270 nan 0.000 0.497 520 N N -0.646 118.029 118.700 -0.041 0.000 2.714 520 N HA -0.246 4.500 4.740 0.011 0.000 0.250 520 N C 0.632 176.128 175.510 -0.023 0.000 1.117 520 N CA 1.650 54.676 53.050 -0.041 0.000 0.719 520 N CB -0.918 37.554 38.487 -0.025 0.000 1.081 520 N HN 0.635 nan 8.380 nan 0.000 0.557 521 Q N -0.272 119.509 119.800 -0.032 0.000 2.124 521 Q HA 0.006 4.352 4.340 0.011 0.000 0.202 521 Q C 1.095 177.113 176.000 0.031 0.000 0.977 521 Q CA 1.038 56.844 55.803 0.007 0.000 0.850 521 Q CB 0.098 28.821 28.738 -0.025 0.000 0.901 521 Q HN 0.258 nan 8.270 nan 0.000 0.429 522 R N -0.233 120.229 120.500 -0.063 0.000 2.427 522 R HA 0.276 4.622 4.340 0.011 0.000 0.262 522 R C 0.193 176.473 176.300 -0.033 0.000 0.943 522 R CA 0.568 56.635 56.100 -0.055 0.000 1.081 522 R CB 0.710 30.900 30.300 -0.183 0.000 1.166 522 R HN 0.278 nan 8.270 nan 0.000 0.534 523 G N 0.603 109.387 108.800 -0.026 0.000 2.423 523 G HA2 -0.155 3.811 3.960 0.011 0.000 0.684 523 G HA3 -0.155 3.811 3.960 0.011 0.000 0.684 523 G C -0.644 174.218 174.900 -0.064 0.000 1.309 523 G CA -1.076 43.994 45.100 -0.049 0.000 0.950 523 G HN 0.098 nan 8.290 nan 0.000 0.587 524 I N 2.506 123.039 120.570 -0.062 0.000 2.578 524 I HA 0.113 4.289 4.170 0.011 0.000 0.286 524 I C 0.766 176.832 176.117 -0.085 0.000 1.126 524 I CA -0.543 60.719 61.300 -0.064 0.000 1.380 524 I CB -0.140 37.828 38.000 -0.054 0.000 1.408 524 I HN 0.599 nan 8.210 nan 0.000 0.532 525 N N 5.294 123.938 118.700 -0.093 0.000 2.478 525 N HA 0.202 4.949 4.740 0.011 0.000 0.275 525 N C 0.472 175.921 175.510 -0.103 0.000 1.221 525 N CA -0.928 52.056 53.050 -0.110 0.000 0.979 525 N CB 0.893 39.297 38.487 -0.138 0.000 1.202 525 N HN 0.511 nan 8.380 nan 0.000 0.564 526 G N -0.553 108.179 108.800 -0.114 0.000 3.455 526 G HA2 0.184 4.150 3.960 0.011 0.000 0.250 526 G HA3 0.184 4.150 3.960 0.011 0.000 0.250 526 G C 0.315 175.156 174.900 -0.099 0.000 1.071 526 G CA -0.339 44.688 45.100 -0.122 0.000 1.812 526 G HN 0.774 nan 8.290 nan 0.000 0.643 527 S N -0.695 114.959 115.700 -0.077 0.000 2.655 527 S HA 0.188 4.664 4.470 0.011 0.000 0.265 527 S C 1.292 175.845 174.600 -0.079 0.000 1.240 527 S CA -0.414 57.752 58.200 -0.057 0.000 0.986 527 S CB 1.396 64.576 63.200 -0.034 0.000 0.985 527 S HN 0.392 nan 8.310 nan 0.000 0.562 528 Q N -0.128 119.601 119.800 -0.119 0.000 2.061 528 Q HA -0.077 4.269 4.340 0.011 0.000 0.204 528 Q C 2.009 177.896 176.000 -0.188 0.000 0.984 528 Q CA 1.911 57.569 55.803 -0.242 0.000 0.846 528 Q CB -0.567 27.810 28.738 -0.602 0.000 0.902 528 Q HN 0.686 nan 8.270 nan 0.000 0.421 529 L N 0.440 121.563 121.223 -0.167 0.000 2.156 529 L HA -0.122 4.225 4.340 0.011 0.000 0.208 529 L C 1.675 178.545 176.870 0.001 0.000 1.095 529 L CA 0.506 55.316 54.840 -0.050 0.000 0.770 529 L CB -0.393 41.644 42.059 -0.038 0.000 0.914 529 L HN 0.258 nan 8.230 nan 0.000 0.439 530 N N -0.343 118.342 118.700 -0.024 0.000 2.409 530 N HA -0.043 4.703 4.740 0.011 0.000 0.179 530 N C 1.513 177.012 175.510 -0.019 0.000 1.032 530 N CA 0.915 53.951 53.050 -0.023 0.000 0.898 530 N CB 0.068 38.529 38.487 -0.044 0.000 0.971 530 N HN 0.227 nan 8.380 nan 0.000 0.441 531 M N -0.147 119.446 119.600 -0.012 0.000 2.495 531 M HA 0.143 4.629 4.480 0.011 0.000 0.237 531 M C 0.554 176.874 176.300 0.035 0.000 1.131 531 M CA -0.072 55.220 55.300 -0.013 0.000 1.032 531 M CB -0.861 31.716 32.600 -0.038 0.000 1.513 531 M HN -0.175 nan 8.290 nan 0.000 0.488 532 S N 0.810 116.556 115.700 0.076 0.000 2.498 532 S HA 0.376 4.853 4.470 0.011 0.000 0.281 532 S C 1.326 175.954 174.600 0.046 0.000 1.265 532 S CA 1.024 59.282 58.200 0.096 0.000 1.071 532 S CB -0.058 63.224 63.200 0.137 0.000 0.894 532 S HN 0.831 nan 8.310 nan 0.000 0.491 533 G N 3.319 112.140 108.800 0.034 0.000 2.141 533 G HA2 -0.263 3.703 3.960 0.011 0.000 0.242 533 G HA3 -0.263 3.703 3.960 0.011 0.000 0.242 533 G C 0.639 175.546 174.900 0.011 0.000 0.982 533 G CA 0.805 45.918 45.100 0.022 0.000 0.662 533 G HN 1.270 nan 8.290 nan 0.000 0.527 534 T N -2.839 111.715 114.554 0.000 0.000 3.022 534 T HA 0.449 4.806 4.350 0.011 0.000 0.250 534 T C 2.376 177.064 174.700 -0.020 0.000 1.060 534 T CA 1.607 63.695 62.100 -0.021 0.000 1.013 534 T CB 0.467 69.304 68.868 -0.053 0.000 0.982 534 T HN 2.132 nan 8.240 nan 0.000 0.508 535 G N 1.499 110.299 108.800 -0.001 0.000 2.184 535 G HA2 -0.210 3.756 3.960 0.011 0.000 0.264 535 G HA3 -0.210 3.756 3.960 0.011 0.000 0.264 535 G C 0.001 174.873 174.900 -0.048 0.000 0.975 535 G CA 0.220 45.332 45.100 0.020 0.000 0.642 535 G HN 0.658 nan 8.290 nan 0.000 0.536 536 I N 1.777 122.289 120.570 -0.098 0.000 2.321 536 I HA 0.508 4.684 4.170 0.011 0.000 0.291 536 I C 1.286 177.323 176.117 -0.134 0.000 0.998 536 I CA -0.411 60.770 61.300 -0.197 0.000 1.227 536 I CB 1.459 39.328 38.000 -0.220 0.000 1.368 536 I HN 0.127 nan 8.210 nan 0.000 0.466 537 G N 4.197 112.900 108.800 -0.162 0.000 2.527 537 G HA2 0.442 4.408 3.960 0.011 0.000 0.248 537 G HA3 0.442 4.408 3.960 0.011 0.000 0.248 537 G C -0.340 174.534 174.900 -0.044 0.000 1.231 537 G CA -0.195 44.883 45.100 -0.036 0.000 0.838 537 G HN 0.672 nan 8.290 nan 0.000 0.570 538 S N -0.263 115.402 115.700 -0.059 0.000 2.564 538 S HA 0.616 5.092 4.470 0.011 0.000 0.274 538 S C -0.844 173.678 174.600 -0.130 0.000 1.124 538 S CA -0.915 57.249 58.200 -0.060 0.000 0.869 538 S CB 1.473 64.702 63.200 0.048 0.000 1.105 538 S HN 0.350 nan 8.310 nan 0.000 0.472 539 F N 2.567 122.412 119.950 -0.174 0.000 2.506 539 F HA 0.286 4.820 4.527 0.010 0.000 0.371 539 F C 1.256 177.137 175.800 0.134 0.000 1.078 539 F CA -0.169 57.711 58.000 -0.201 0.000 1.195 539 F CB 0.429 39.155 39.000 -0.456 0.000 1.099 539 F HN 0.666 nan 8.300 nan 0.000 0.548 540 N N 4.021 122.940 118.700 0.364 0.000 2.605 540 N HA -0.043 4.703 4.740 0.011 0.000 0.258 540 N C 0.781 176.592 175.510 0.501 0.000 1.156 540 N CA -0.265 53.026 53.050 0.402 0.000 1.008 540 N CB -0.078 38.536 38.487 0.212 0.000 1.354 540 N HN 0.530 nan 8.380 nan 0.000 0.509 541 D N 2.009 122.746 120.400 0.562 0.000 2.350 541 D HA -0.136 4.510 4.640 0.011 0.000 0.216 541 D C 1.255 177.661 176.300 0.178 0.000 0.968 541 D CA 0.625 54.865 54.000 0.400 0.000 0.894 541 D CB 0.184 41.210 40.800 0.375 0.000 0.909 541 D HN 0.353 nan 8.370 nan 0.000 0.520 542 R N 0.155 120.777 120.500 0.204 0.000 2.066 542 R HA 0.155 4.501 4.340 0.011 0.000 0.232 542 R C 2.503 178.827 176.300 0.040 0.000 1.131 542 R CA 0.817 56.992 56.100 0.126 0.000 0.955 542 R CB -0.365 30.031 30.300 0.160 0.000 0.851 542 R HN 0.194 nan 8.270 nan 0.000 0.432 543 I N 0.630 121.217 120.570 0.027 0.000 2.546 543 I HA -0.215 3.962 4.170 0.011 0.000 0.255 543 I C 2.444 178.494 176.117 -0.111 0.000 1.163 543 I CA 0.853 62.121 61.300 -0.054 0.000 1.457 543 I CB -0.017 37.952 38.000 -0.051 0.000 1.092 543 I HN 0.148 nan 8.210 nan 0.000 0.434 544 R N 0.756 121.182 120.500 -0.123 0.000 2.070 544 R HA -0.207 4.140 4.340 0.011 0.000 0.233 544 R C 1.716 177.879 176.300 -0.229 0.000 1.137 544 R CA 2.252 58.197 56.100 -0.258 0.000 0.945 544 R CB -0.280 29.741 30.300 -0.465 0.000 0.845 544 R HN 0.332 nan 8.270 nan 0.000 0.430 545 D N 0.135 120.424 120.400 -0.185 0.000 2.178 545 D HA -0.070 4.577 4.640 0.011 0.000 0.202 545 D C 1.634 177.709 176.300 -0.375 0.000 0.974 545 D CA 1.267 55.143 54.000 -0.206 0.000 0.841 545 D CB -0.095 40.642 40.800 -0.106 0.000 0.953 545 D HN 0.397 nan 8.370 nan 0.000 0.478 546 A N 0.430 123.031 122.820 -0.365 0.000 1.929 546 A HA -0.059 4.268 4.320 0.011 0.000 0.216 546 A C 2.302 179.569 177.584 -0.529 0.000 1.176 546 A CA 0.620 52.265 52.037 -0.653 0.000 0.628 546 A CB -0.435 18.452 19.000 -0.189 0.000 0.816 546 A HN 0.155 nan 8.150 nan 0.000 0.444 547 I N -0.232 120.173 120.570 -0.275 0.000 2.233 547 I HA -0.179 3.998 4.170 0.011 0.000 0.243 547 I C 1.996 178.035 176.117 -0.130 0.000 1.093 547 I CA 1.055 62.282 61.300 -0.122 0.000 1.380 547 I CB -0.321 37.624 38.000 -0.090 0.000 1.067 547 I HN 0.273 nan 8.210 nan 0.000 0.413 548 N N 0.625 119.217 118.700 -0.180 0.000 2.250 548 N HA 0.061 4.807 4.740 0.011 0.000 0.181 548 N C 0.732 176.144 175.510 -0.164 0.000 1.017 548 N CA 1.179 54.141 53.050 -0.147 0.000 0.866 548 N CB -0.071 38.329 38.487 -0.145 0.000 0.985 548 N HN 0.409 nan 8.380 nan 0.000 0.429 549 G N -1.111 107.531 108.800 -0.264 0.000 2.784 549 G HA2 0.377 4.343 3.960 0.011 0.000 0.686 549 G HA3 0.377 4.343 3.960 0.011 0.000 0.686 549 G C 0.308 175.148 174.900 -0.101 0.000 1.156 549 G CA -0.252 44.719 45.100 -0.215 0.000 0.757 549 G HN 0.634 nan 8.290 nan 0.000 0.642 550 G N 1.214 110.025 108.800 0.017 0.000 2.574 550 G HA2 0.282 4.248 3.960 0.011 0.000 0.286 550 G HA3 0.282 4.248 3.960 0.011 0.000 0.286 550 G C 0.130 175.014 174.900 -0.026 0.000 1.212 550 G CA 1.298 46.423 45.100 0.040 0.000 0.979 550 G HN 3.050 nan 8.290 nan 0.000 0.557 551 N N -1.910 116.750 118.700 -0.067 0.000 3.127 551 N HA 0.556 5.302 4.740 0.011 0.000 0.239 551 N C -2.529 172.831 175.510 -0.250 0.000 1.407 551 N CA -0.715 52.247 53.050 -0.146 0.000 0.891 551 N CB 1.028 39.470 38.487 -0.075 0.000 1.447 551 N HN 0.271 nan 8.380 nan 0.000 0.507 552 P HA 0.047 nan 4.420 nan 0.000 0.226 552 P C -0.290 176.620 177.300 -0.649 0.000 1.146 552 P CA 1.036 63.760 63.100 -0.628 0.000 0.773 552 P CB -0.094 31.058 31.700 -0.912 0.000 0.772 553 F N -2.088 117.792 119.950 -0.117 0.000 2.706 553 F HA 0.365 4.898 4.527 0.011 0.000 0.308 553 F C 1.733 177.488 175.800 -0.075 0.000 1.095 553 F CA -0.403 57.535 58.000 -0.103 0.000 1.244 553 F CB -0.567 38.361 39.000 -0.119 0.000 1.063 553 F HN -0.201 nan 8.300 nan 0.000 0.582 554 G N -0.413 108.415 108.800 0.047 0.000 2.568 554 G HA2 0.104 4.071 3.960 0.011 0.000 0.293 554 G HA3 0.104 4.071 3.960 0.011 0.000 0.293 554 G C -0.553 174.329 174.900 -0.029 0.000 1.347 554 G CA -0.651 44.467 45.100 0.029 0.000 1.039 554 G HN -0.006 nan 8.290 nan 0.000 0.523 555 N N 0.333 119.004 118.700 -0.048 0.000 2.454 555 N HA 0.074 4.820 4.740 0.011 0.000 0.260 555 N C -1.443 173.943 175.510 -0.207 0.000 1.218 555 N CA -1.101 51.848 53.050 -0.169 0.000 0.904 555 N CB 1.662 39.962 38.487 -0.312 0.000 1.065 555 N HN -0.056 nan 8.380 nan 0.000 0.462 556 P HA -0.034 nan 4.420 nan 0.000 0.222 556 P C 1.074 178.271 177.300 -0.171 0.000 1.147 556 P CA 0.948 63.959 63.100 -0.149 0.000 0.790 556 P CB 0.304 31.939 31.700 -0.107 0.000 0.780 557 L N -1.342 119.689 121.223 -0.321 0.000 2.591 557 L HA 0.072 4.419 4.340 0.011 0.000 0.228 557 L C 1.327 178.118 176.870 -0.130 0.000 1.133 557 L CA -0.003 54.670 54.840 -0.278 0.000 0.880 557 L CB -0.510 41.291 42.059 -0.429 0.000 1.033 557 L HN 0.045 nan 8.230 nan 0.000 0.450 558 Q N 1.842 121.575 119.800 -0.112 0.000 2.271 558 Q HA 0.049 4.395 4.340 0.011 0.000 0.273 558 Q C -0.384 175.676 176.000 0.100 0.000 1.051 558 Q CA 0.168 56.045 55.803 0.122 0.000 0.901 558 Q CB 0.570 29.383 28.738 0.125 0.000 1.174 558 Q HN 0.330 nan 8.270 nan 0.000 0.385 559 Q N 1.767 121.658 119.800 0.151 0.000 2.259 559 Q HA 0.534 4.881 4.340 0.011 0.000 0.246 559 Q C -0.116 175.957 176.000 0.121 0.000 0.920 559 Q CA -0.272 55.592 55.803 0.102 0.000 0.895 559 Q CB 1.643 30.443 28.738 0.105 0.000 1.220 559 Q HN 0.794 nan 8.270 nan 0.000 0.439 560 G N -0.157 108.662 108.800 0.032 0.000 3.108 560 G HA2 0.232 4.198 3.960 0.011 0.000 0.268 560 G HA3 0.232 4.198 3.960 0.011 0.000 0.268 560 G C -0.385 174.551 174.900 0.060 0.000 1.361 560 G CA -0.613 44.461 45.100 -0.042 0.000 1.047 560 G HN 0.677 nan 8.290 nan 0.000 0.540 561 F N 0.292 120.186 119.950 -0.093 0.000 2.120 561 F HA -0.122 4.411 4.527 0.011 0.000 0.300 561 F C 1.904 177.694 175.800 -0.017 0.000 1.095 561 F CA 2.038 60.034 58.000 -0.006 0.000 1.249 561 F CB 0.267 39.244 39.000 -0.038 0.000 0.995 561 F HN 0.373 nan 8.300 nan 0.000 0.480 562 N N -0.893 117.819 118.700 0.019 0.000 2.251 562 N HA 0.047 4.793 4.740 0.011 0.000 0.217 562 N C 0.173 175.641 175.510 -0.069 0.000 1.124 562 N CA 0.809 53.828 53.050 -0.051 0.000 0.843 562 N CB -0.131 38.387 38.487 0.051 0.000 1.024 562 N HN 0.311 nan 8.380 nan 0.000 0.501 563 T N -4.532 109.982 114.554 -0.067 0.000 3.288 563 T HA 0.414 4.770 4.350 0.011 0.000 0.293 563 T C 0.940 175.614 174.700 -0.044 0.000 1.008 563 T CA -0.022 62.043 62.100 -0.057 0.000 0.929 563 T CB 0.242 69.083 68.868 -0.046 0.000 1.152 563 T HN 0.062 nan 8.240 nan 0.000 0.517 564 G N 1.398 110.162 108.800 -0.060 0.000 2.144 564 G HA2 -0.178 3.788 3.960 0.011 0.000 0.218 564 G HA3 -0.178 3.788 3.960 0.011 0.000 0.218 564 G C -0.129 174.772 174.900 0.001 0.000 0.988 564 G CA -0.239 44.832 45.100 -0.047 0.000 0.659 564 G HN 0.719 nan 8.290 nan 0.000 0.522 565 L N 0.446 121.697 121.223 0.046 0.000 2.584 565 L HA 0.510 4.857 4.340 0.011 0.000 0.272 565 L C 1.374 178.367 176.870 0.205 0.000 1.195 565 L CA 1.406 56.323 54.840 0.128 0.000 0.920 565 L CB -0.402 41.772 42.059 0.192 0.000 1.173 565 L HN 1.322 nan 8.230 nan 0.000 0.489 566 F N 2.431 122.379 119.950 -0.002 0.000 2.559 566 F HA -0.465 4.068 4.527 0.011 0.000 0.681 566 F C 1.014 176.810 175.800 -0.007 0.000 0.488 566 F CA 2.296 60.291 58.000 -0.009 0.000 0.759 566 F CB -1.470 37.526 39.000 -0.007 0.000 1.634 566 F HN 0.405 nan 8.300 nan 0.000 0.264 567 L N -0.014 121.063 121.223 -0.244 0.000 2.141 567 L HA -0.033 4.313 4.340 0.011 0.000 0.209 567 L C 0.486 177.217 176.870 -0.232 0.000 1.094 567 L CA 1.992 56.630 54.840 -0.336 0.000 0.763 567 L CB -0.371 41.618 42.059 -0.116 0.000 0.908 567 L HN 0.342 nan 8.230 nan 0.000 0.437 568 E N -0.756 119.361 120.200 -0.137 0.000 3.352 568 E HA 0.232 4.588 4.350 0.011 0.000 0.254 568 E C -2.434 174.137 176.600 -0.047 0.000 1.229 568 E CA -1.756 54.590 56.400 -0.090 0.000 0.949 568 E CB 1.192 30.849 29.700 -0.071 0.000 1.373 568 E HN -0.025 nan 8.360 nan 0.000 0.392 569 P HA -0.077 nan 4.420 nan 0.000 0.265 569 P C 0.233 177.549 177.300 0.026 0.000 1.187 569 P CA 0.225 63.327 63.100 0.002 0.000 0.766 569 P CB 0.559 32.255 31.700 -0.007 0.000 0.820 570 N N 1.863 120.602 118.700 0.065 0.000 2.299 570 N HA 0.084 4.830 4.740 0.011 0.000 0.187 570 N C 1.193 176.768 175.510 0.108 0.000 1.099 570 N CA 0.742 53.841 53.050 0.081 0.000 0.867 570 N CB 0.003 38.546 38.487 0.094 0.000 0.974 570 N HN 0.560 nan 8.380 nan 0.000 0.477 571 G N 0.026 108.896 108.800 0.116 0.000 2.491 571 G HA2 -0.232 3.735 3.960 0.011 0.000 0.203 571 G HA3 -0.232 3.735 3.960 0.011 0.000 0.203 571 G C -0.248 174.759 174.900 0.178 0.000 1.052 571 G CA -0.174 45.001 45.100 0.126 0.000 0.675 571 G HN 0.350 nan 8.290 nan 0.000 0.504 572 F N 3.492 123.483 119.950 0.068 0.000 2.571 572 F HA 0.538 5.071 4.527 0.010 0.000 0.384 572 F C 0.571 176.435 175.800 0.107 0.000 1.058 572 F CA -1.365 56.686 58.000 0.085 0.000 1.200 572 F CB 0.016 39.053 39.000 0.061 0.000 1.077 572 F HN 0.342 nan 8.300 nan 0.000 0.558 573 Y N 6.735 126.678 120.300 -0.595 0.000 2.544 573 Y HA 0.141 4.697 4.550 0.010 0.000 0.330 573 Y C 0.324 175.788 175.900 -0.727 0.000 1.136 573 Y CA 0.208 58.004 58.100 -0.506 0.000 1.417 573 Y CB 0.427 38.693 38.460 -0.322 0.000 1.229 573 Y HN 0.750 nan 8.280 nan 0.000 0.532 574 Q N 4.985 124.195 119.800 -0.983 0.000 2.055 574 Q HA 0.374 4.720 4.340 0.011 0.000 0.226 574 Q C 0.202 175.790 176.000 -0.688 0.000 0.805 574 Q CA 0.098 55.474 55.803 -0.712 0.000 1.072 574 Q CB 0.994 29.557 28.738 -0.291 0.000 1.219 574 Q HN 1.072 nan 8.270 nan 0.000 0.451 575 G N 1.943 110.022 108.800 -1.202 0.000 2.498 575 G HA2 -0.200 3.766 3.960 0.011 0.000 0.651 575 G HA3 -0.200 3.766 3.960 0.011 0.000 0.651 575 G C -0.845 173.900 174.900 -0.258 0.000 1.284 575 G CA -0.657 44.081 45.100 -0.602 0.000 0.950 575 G HN 0.372 nan 8.290 nan 0.000 0.511 576 N N -0.364 118.300 118.700 -0.061 0.000 2.381 576 N HA 0.547 5.293 4.740 0.011 0.000 0.254 576 N C 1.534 177.062 175.510 0.030 0.000 1.264 576 N CA 1.149 54.212 53.050 0.022 0.000 0.942 576 N CB 0.168 38.682 38.487 0.045 0.000 1.190 576 N HN 1.420 nan 8.380 nan 0.000 0.495 577 E N -0.088 120.161 120.200 0.082 0.000 2.097 577 E HA -0.213 4.143 4.350 0.011 0.000 0.196 577 E C 1.994 178.650 176.600 0.093 0.000 1.000 577 E CA 2.279 58.782 56.400 0.171 0.000 0.804 577 E CB -1.422 28.396 29.700 0.196 0.000 0.740 577 E HN 0.801 nan 8.360 nan 0.000 0.454 578 A N 1.134 123.969 122.820 0.025 0.000 1.972 578 A HA -0.156 4.170 4.320 0.011 0.000 0.219 578 A C 2.068 179.600 177.584 -0.086 0.000 1.169 578 A CA 1.859 53.872 52.037 -0.041 0.000 0.635 578 A CB -0.219 18.770 19.000 -0.018 0.000 0.810 578 A HN 0.471 nan 8.150 nan 0.000 0.446 579 D N -0.412 119.950 120.400 -0.064 0.000 2.103 579 D HA -0.099 4.548 4.640 0.011 0.000 0.199 579 D C 2.382 178.613 176.300 -0.116 0.000 0.978 579 D CA 2.148 56.094 54.000 -0.090 0.000 0.829 579 D CB -0.807 39.941 40.800 -0.086 0.000 0.981 579 D HN 0.599 nan 8.370 nan 0.000 0.464 580 T N -0.910 113.600 114.554 -0.073 0.000 2.821 580 T HA -0.134 4.223 4.350 0.011 0.000 0.267 580 T C 1.992 176.611 174.700 -0.134 0.000 1.046 580 T CA 0.885 62.968 62.100 -0.029 0.000 1.139 580 T CB -0.072 68.866 68.868 0.117 0.000 0.871 580 T HN 0.029 nan 8.240 nan 0.000 0.454 581 R N 0.878 121.146 120.500 -0.386 0.000 2.081 581 R HA 0.002 4.348 4.340 0.011 0.000 0.235 581 R C 2.863 178.897 176.300 -0.443 0.000 1.131 581 R CA 1.094 56.678 56.100 -0.859 0.000 0.960 581 R CB -0.246 29.399 30.300 -1.092 0.000 0.856 581 R HN 0.371 nan 8.270 nan 0.000 0.436 582 R N -0.197 120.117 120.500 -0.309 0.000 2.081 582 R HA -0.063 4.283 4.340 0.011 0.000 0.235 582 R C 2.139 178.235 176.300 -0.341 0.000 1.131 582 R CA 1.854 57.784 56.100 -0.282 0.000 0.960 582 R CB -0.091 30.096 30.300 -0.189 0.000 0.856 582 R HN 0.195 nan 8.270 nan 0.000 0.436 583 S N 1.149 116.683 115.700 -0.276 0.000 2.383 583 S HA -0.140 4.336 4.470 0.011 0.000 0.227 583 S C 1.716 176.145 174.600 -0.286 0.000 1.026 583 S CA 0.898 58.900 58.200 -0.330 0.000 0.981 583 S CB -0.252 62.786 63.200 -0.271 0.000 0.818 583 S HN 0.232 nan 8.310 nan 0.000 0.472 584 L N 2.099 123.255 121.223 -0.111 0.000 2.012 584 L HA -0.074 4.272 4.340 0.011 0.000 0.210 584 L C 2.347 179.259 176.870 0.070 0.000 1.073 584 L CA 1.989 56.885 54.840 0.093 0.000 0.748 584 L CB -1.054 41.061 42.059 0.092 0.000 0.891 584 L HN 0.253 nan 8.230 nan 0.000 0.431 585 A N -1.799 120.949 122.820 -0.119 0.000 1.902 585 A HA -0.190 4.136 4.320 0.011 0.000 0.217 585 A C 2.250 179.691 177.584 -0.239 0.000 1.181 585 A CA 2.208 54.151 52.037 -0.157 0.000 0.623 585 A CB -1.194 17.657 19.000 -0.250 0.000 0.818 585 A HN 0.518 nan 8.150 nan 0.000 0.443 586 T N -0.962 113.339 114.554 -0.421 0.000 2.652 586 T HA -0.180 4.177 4.350 0.011 0.000 0.267 586 T C 1.775 176.408 174.700 -0.112 0.000 1.039 586 T CA 1.840 63.749 62.100 -0.319 0.000 1.153 586 T CB -0.494 68.148 68.868 -0.377 0.000 0.863 586 T HN 0.487 nan 8.240 nan 0.000 0.428 587 Y N 1.603 121.852 120.300 -0.084 0.000 2.165 587 Y HA -0.051 4.505 4.550 0.010 0.000 0.286 587 Y C 2.755 178.539 175.900 -0.193 0.000 1.155 587 Y CA 0.186 58.240 58.100 -0.077 0.000 1.164 587 Y CB -1.278 37.189 38.460 0.011 0.000 0.978 587 Y HN 0.221 nan 8.280 nan 0.000 0.513 588 A N 0.021 122.808 122.820 -0.055 0.000 1.940 588 A HA -0.206 4.120 4.320 0.011 0.000 0.219 588 A C 1.976 179.394 177.584 -0.276 0.000 1.176 588 A CA 2.042 53.879 52.037 -0.334 0.000 0.631 588 A CB -0.709 18.189 19.000 -0.171 0.000 0.814 588 A HN 0.370 nan 8.150 nan 0.000 0.446 589 D N -0.375 119.945 120.400 -0.133 0.000 2.097 589 D HA -0.143 4.503 4.640 0.011 0.000 0.195 589 D C 2.250 178.471 176.300 -0.132 0.000 0.989 589 D CA 1.544 55.477 54.000 -0.111 0.000 0.827 589 D CB -0.445 40.366 40.800 0.017 0.000 0.966 589 D HN 0.642 nan 8.370 nan 0.000 0.456 590 Q N 0.003 119.758 119.800 -0.075 0.000 2.084 590 Q HA -0.077 4.269 4.340 0.011 0.000 0.202 590 Q C 2.471 178.391 176.000 -0.133 0.000 0.978 590 Q CA 0.773 56.544 55.803 -0.053 0.000 0.844 590 Q CB -0.043 28.716 28.738 0.036 0.000 0.898 590 Q HN 0.352 nan 8.270 nan 0.000 0.426 591 I N 0.766 121.205 120.570 -0.218 0.000 2.163 591 I HA -0.326 3.850 4.170 0.011 0.000 0.243 591 I C 2.376 178.287 176.117 -0.344 0.000 1.085 591 I CA 1.391 62.508 61.300 -0.305 0.000 1.347 591 I CB -0.322 37.390 38.000 -0.480 0.000 1.044 591 I HN 0.279 nan 8.210 nan 0.000 0.408 592 Q N 0.230 119.752 119.800 -0.463 0.000 2.124 592 Q HA -0.166 4.180 4.340 0.011 0.000 0.202 592 Q C 2.324 178.059 176.000 -0.442 0.000 0.977 592 Q CA 1.183 56.543 55.803 -0.738 0.000 0.850 592 Q CB 0.065 28.088 28.738 -1.191 0.000 0.901 592 Q HN 0.472 nan 8.270 nan 0.000 0.429 593 I N -0.003 120.416 120.570 -0.252 0.000 2.315 593 I HA -0.140 4.037 4.170 0.011 0.000 0.248 593 I C 2.226 178.260 176.117 -0.138 0.000 1.117 593 I CA 1.435 62.660 61.300 -0.126 0.000 1.404 593 I CB -1.385 36.583 38.000 -0.052 0.000 1.071 593 I HN 0.240 nan 8.210 nan 0.000 0.419 594 G N 0.648 109.367 108.800 -0.134 0.000 2.421 594 G HA2 -0.127 3.840 3.960 0.011 0.000 0.217 594 G HA3 -0.127 3.840 3.960 0.011 0.000 0.217 594 G C 1.812 176.649 174.900 -0.105 0.000 1.143 594 G CA 0.097 45.130 45.100 -0.110 0.000 0.784 594 G HN 0.303 nan 8.290 nan 0.000 0.541 595 L N 0.609 121.772 121.223 -0.100 0.000 2.201 595 L HA 0.049 4.395 4.340 0.011 0.000 0.212 595 L C 2.755 179.622 176.870 -0.005 0.000 1.105 595 L CA 0.790 55.618 54.840 -0.019 0.000 0.775 595 L CB -0.072 42.028 42.059 0.069 0.000 0.913 595 L HN 0.279 nan 8.230 nan 0.000 0.440 596 A N -0.498 122.273 122.820 -0.082 0.000 2.411 596 A HA 0.433 4.760 4.320 0.011 0.000 0.251 596 A C 1.516 178.955 177.584 -0.242 0.000 1.317 596 A CA 0.513 52.389 52.037 -0.268 0.000 0.904 596 A CB -0.548 18.003 19.000 -0.750 0.000 0.993 596 A HN 0.482 nan 8.150 nan 0.000 0.504 597 G N -0.230 108.479 108.800 -0.151 0.000 2.157 597 G HA2 -0.287 3.679 3.960 0.011 0.000 0.248 597 G HA3 -0.287 3.679 3.960 0.011 0.000 0.248 597 G C 0.372 175.178 174.900 -0.157 0.000 0.979 597 G CA 0.408 45.429 45.100 -0.132 0.000 0.650 597 G HN 1.222 nan 8.290 nan 0.000 0.529 598 N N -1.304 117.297 118.700 -0.165 0.000 2.727 598 N HA -0.164 4.582 4.740 0.011 0.000 0.249 598 N C 0.355 175.743 175.510 -0.203 0.000 1.048 598 N CA 1.325 54.264 53.050 -0.186 0.000 0.714 598 N CB -1.256 37.085 38.487 -0.243 0.000 0.959 598 N HN 0.840 nan 8.380 nan 0.000 0.544 599 L N 0.276 121.429 121.223 -0.117 0.000 2.397 599 L HA 0.215 4.561 4.340 0.011 0.000 0.271 599 L C 2.075 178.947 176.870 0.004 0.000 1.148 599 L CA -0.383 54.426 54.840 -0.052 0.000 0.825 599 L CB 0.768 42.836 42.059 0.015 0.000 1.117 599 L HN 0.301 nan 8.230 nan 0.000 0.456 600 R N -0.019 120.486 120.500 0.009 0.000 2.193 600 R HA -0.034 4.312 4.340 0.011 0.000 0.213 600 R C 0.028 176.359 176.300 0.051 0.000 1.055 600 R CA 0.863 56.986 56.100 0.038 0.000 0.995 600 R CB 0.009 30.341 30.300 0.053 0.000 0.893 600 R HN 0.568 nan 8.270 nan 0.000 0.459 601 D N -0.174 120.264 120.400 0.063 0.000 2.369 601 D HA -0.008 4.638 4.640 0.011 0.000 0.211 601 D C -0.575 175.767 176.300 0.071 0.000 1.077 601 D CA -0.048 53.983 54.000 0.053 0.000 0.842 601 D CB 0.003 40.827 40.800 0.039 0.000 0.947 601 D HN 0.157 nan 8.370 nan 0.000 0.509 602 Y N 1.815 122.112 120.300 -0.005 0.000 2.544 602 Y HA 0.153 4.709 4.550 0.010 0.000 0.330 602 Y C -0.139 175.767 175.900 0.010 0.000 1.136 602 Y CA -0.172 57.931 58.100 0.006 0.000 1.417 602 Y CB 0.572 39.042 38.460 0.017 0.000 1.229 602 Y HN -0.342 nan 8.280 nan 0.000 0.532 603 V N 8.756 128.340 119.914 -0.549 0.000 2.383 603 V HA 0.239 4.365 4.120 0.011 0.000 0.275 603 V C -0.489 175.370 176.094 -0.391 0.000 1.036 603 V CA -0.632 61.461 62.300 -0.346 0.000 0.889 603 V CB 0.823 32.497 31.823 -0.248 0.000 0.985 603 V HN 0.641 nan 8.190 nan 0.000 0.459 604 L N 6.319 127.483 121.223 -0.098 0.000 2.365 604 L HA 0.609 4.955 4.340 0.011 0.000 0.273 604 L C -0.327 176.544 176.870 0.001 0.000 1.000 604 L CA -0.321 54.538 54.840 0.032 0.000 0.819 604 L CB 1.700 43.853 42.059 0.156 0.000 1.284 604 L HN 0.409 nan 8.230 nan 0.000 0.418 605 I N 4.305 124.886 120.570 0.019 0.000 2.471 605 I HA 0.104 4.280 4.170 0.011 0.000 0.294 605 I C 0.936 177.052 176.117 -0.001 0.000 1.123 605 I CA 0.277 61.578 61.300 0.003 0.000 1.336 605 I CB -0.172 37.839 38.000 0.018 0.000 1.430 605 I HN 0.836 nan 8.210 nan 0.000 0.533 606 S N 6.525 122.204 115.700 -0.034 0.000 2.617 606 S HA 0.054 4.530 4.470 0.011 0.000 0.255 606 S C 1.604 176.171 174.600 -0.054 0.000 1.318 606 S CA -0.190 57.980 58.200 -0.051 0.000 0.978 606 S CB 0.436 63.563 63.200 -0.122 0.000 0.961 606 S HN 0.725 nan 8.310 nan 0.000 0.582 607 H N -0.704 118.350 119.070 -0.026 0.000 2.495 607 H HA -0.034 4.529 4.556 0.010 0.000 0.287 607 H C 1.745 177.062 175.328 -0.018 0.000 1.033 607 H CA 1.555 57.590 56.048 -0.023 0.000 1.307 607 H CB -1.301 28.440 29.762 -0.035 0.000 1.401 607 H HN 0.787 nan 8.280 nan 0.000 0.555 608 T N -3.305 110.957 114.554 -0.487 0.000 3.085 608 T HA 0.247 4.603 4.350 0.011 0.000 0.263 608 T C 1.791 176.420 174.700 -0.119 0.000 1.127 608 T CA 0.985 62.922 62.100 -0.270 0.000 1.103 608 T CB -0.288 68.392 68.868 -0.313 0.000 0.921 608 T HN 0.660 nan 8.240 nan 0.000 0.510 609 G N 0.923 109.666 108.800 -0.095 0.000 2.234 609 G HA2 -0.249 3.717 3.960 0.011 0.000 0.235 609 G HA3 -0.249 3.717 3.960 0.011 0.000 0.235 609 G C -0.126 174.745 174.900 -0.048 0.000 0.997 609 G CA 0.136 45.209 45.100 -0.044 0.000 0.623 609 G HN 0.850 nan 8.290 nan 0.000 0.514 610 E N 1.117 121.272 120.200 -0.075 0.000 2.313 610 E HA 0.603 4.960 4.350 0.011 0.000 0.276 610 E C 0.663 177.230 176.600 -0.055 0.000 1.031 610 E CA -0.047 56.317 56.400 -0.060 0.000 0.857 610 E CB 0.792 30.451 29.700 -0.067 0.000 1.040 610 E HN 0.737 nan 8.360 nan 0.000 0.408 611 A N 4.919 127.714 122.820 -0.042 0.000 2.409 611 A HA 0.321 4.648 4.320 0.011 0.000 0.262 611 A C -0.574 176.984 177.584 -0.044 0.000 1.113 611 A CA -0.099 51.913 52.037 -0.043 0.000 0.790 611 A CB 0.375 19.350 19.000 -0.043 0.000 1.046 611 A HN 0.638 nan 8.150 nan 0.000 0.496 612 K N 2.089 122.463 120.400 -0.044 0.000 2.502 612 K HA 0.354 4.680 4.320 0.011 0.000 0.257 612 K C -0.889 175.690 176.600 -0.035 0.000 0.938 612 K CA -0.792 55.471 56.287 -0.039 0.000 0.819 612 K CB 2.645 35.120 32.500 -0.041 0.000 1.333 612 K HN 0.704 nan 8.250 nan 0.000 0.434 613 K N 0.043 120.425 120.400 -0.031 0.000 2.168 613 K HA 0.116 4.442 4.320 0.011 0.000 0.258 613 K C 1.379 177.981 176.600 0.003 0.000 1.010 613 K CA -0.043 56.237 56.287 -0.011 0.000 0.929 613 K CB 0.697 33.191 32.500 -0.009 0.000 0.998 613 K HN 0.855 nan 8.250 nan 0.000 0.479 614 G N 0.484 109.315 108.800 0.051 0.000 2.469 614 G HA2 -0.288 3.679 3.960 0.011 0.000 0.220 614 G HA3 -0.288 3.679 3.960 0.011 0.000 0.220 614 G C 1.417 176.311 174.900 -0.010 0.000 1.136 614 G CA 1.379 46.504 45.100 0.041 0.000 0.759 614 G HN 0.645 nan 8.290 nan 0.000 0.562 615 S N 0.017 115.711 115.700 -0.011 0.000 2.489 615 S HA 0.076 4.553 4.470 0.011 0.000 0.228 615 S C 1.772 176.274 174.600 -0.162 0.000 0.995 615 S CA 1.067 59.248 58.200 -0.031 0.000 0.934 615 S CB 0.001 63.215 63.200 0.023 0.000 0.771 615 S HN 0.564 nan 8.310 nan 0.000 0.522 616 E N 0.523 120.627 120.200 -0.159 0.000 2.435 616 E HA 0.243 4.599 4.350 0.011 0.000 0.195 616 E C -0.103 176.257 176.600 -0.401 0.000 1.029 616 E CA 0.126 56.393 56.400 -0.221 0.000 0.865 616 E CB 0.073 29.731 29.700 -0.071 0.000 0.833 616 E HN 0.594 nan 8.360 nan 0.000 0.510 617 I N 1.362 121.740 120.570 -0.320 0.000 2.365 617 I HA 0.155 4.331 4.170 0.011 0.000 0.291 617 I C -0.266 175.660 176.117 -0.318 0.000 1.004 617 I CA -0.367 60.795 61.300 -0.231 0.000 1.311 617 I CB 0.743 38.700 38.000 -0.071 0.000 1.401 617 I HN -0.019 nan 8.210 nan 0.000 0.491 618 H N 2.153 121.253 119.070 0.049 0.000 2.529 618 H HA 0.356 4.919 4.556 0.011 0.000 0.348 618 H C 0.268 175.628 175.328 0.054 0.000 1.152 618 H CA -0.600 55.480 56.048 0.052 0.000 1.202 618 H CB 1.443 31.228 29.762 0.040 0.000 1.562 618 H HN 0.604 nan 8.280 nan 0.000 0.515 619 T N -2.706 111.962 114.554 0.190 0.000 2.701 619 T HA 0.051 4.407 4.350 0.011 0.000 0.303 619 T C 1.602 176.367 174.700 0.108 0.000 1.030 619 T CA -0.014 62.166 62.100 0.134 0.000 1.010 619 T CB -0.075 68.867 68.868 0.123 0.000 1.007 619 T HN 0.535 nan 8.240 nan 0.000 0.532 620 F N 0.304 120.305 119.950 0.083 0.000 2.494 620 F HA 0.089 4.623 4.527 0.011 0.000 0.298 620 F C 1.749 177.575 175.800 0.044 0.000 1.106 620 F CA 1.055 59.088 58.000 0.055 0.000 1.452 620 F CB -1.326 nan 39.000 nan 0.000 1.085 620 F HN 0.916 nan 8.300 nan 0.000 0.569 621 D N -2.885 117.546 120.400 0.051 0.000 2.501 621 D HA 0.398 5.044 4.640 0.011 0.000 0.224 621 D C 1.070 177.387 176.300 0.028 0.000 1.202 621 D CA 0.251 54.270 54.000 0.032 0.000 0.829 621 D CB 0.011 40.828 40.800 0.028 0.000 1.023 621 D HN 0.811 nan 8.370 nan 0.000 0.499 622 G N -0.117 108.708 108.800 0.042 0.000 2.130 622 G HA2 -0.181 3.786 3.960 0.011 0.000 0.216 622 G HA3 -0.181 3.786 3.960 0.011 0.000 0.216 622 G C -0.442 174.494 174.900 0.060 0.000 0.999 622 G CA -0.085 45.013 45.100 -0.003 0.000 0.686 622 G HN 0.280 nan 8.290 nan 0.000 0.515 623 L N 1.022 122.338 121.223 0.155 0.000 2.333 623 L HA 0.670 5.016 4.340 0.011 0.000 0.269 623 L C -1.867 175.157 176.870 0.256 0.000 1.010 623 L CA -2.460 52.499 54.840 0.198 0.000 0.818 623 L CB 1.702 43.827 42.059 0.109 0.000 1.306 623 L HN -0.128 nan 8.230 nan 0.000 0.430 624 P HA -0.019 nan 4.420 nan 0.000 0.262 624 P C 0.697 178.082 177.300 0.141 0.000 1.182 624 P CA 0.104 63.264 63.100 0.100 0.000 0.761 624 P CB 0.863 32.632 31.700 0.115 0.000 0.795 625 V N 3.771 123.734 119.914 0.083 0.000 2.255 625 V HA -0.068 4.058 4.120 0.011 0.000 0.243 625 V C 1.631 177.832 176.094 0.179 0.000 1.038 625 V CA 2.191 64.570 62.300 0.132 0.000 1.008 625 V CB -1.195 30.666 31.823 0.063 0.000 0.645 625 V HN 0.740 nan 8.190 nan 0.000 0.449 626 G N -1.042 107.810 108.800 0.086 0.000 2.339 626 G HA2 0.396 4.362 3.960 0.011 0.000 0.287 626 G HA3 0.396 4.362 3.960 0.011 0.000 0.287 626 G C -0.245 174.705 174.900 0.083 0.000 1.163 626 G CA 0.057 45.166 45.100 0.016 0.000 0.872 626 G HN 0.608 nan 8.290 nan 0.000 0.464 627 Y N 0.125 120.443 120.300 0.030 0.000 2.666 627 Y HA 0.340 4.896 4.550 0.011 0.000 0.260 627 Y C 0.909 176.824 175.900 0.026 0.000 1.089 627 Y CA -0.301 57.819 58.100 0.032 0.000 1.246 627 Y CB -0.509 37.977 38.460 0.044 0.000 1.353 627 Y HN 0.518 nan 8.280 nan 0.000 0.558 628 T N -1.677 112.713 114.554 -0.274 0.000 2.927 628 T HA 0.727 5.084 4.350 0.011 0.000 0.281 628 T C 0.854 175.524 174.700 -0.050 0.000 0.998 628 T CA -0.161 61.840 62.100 -0.165 0.000 1.019 628 T CB 2.021 70.723 68.868 -0.278 0.000 1.061 628 T HN 0.368 nan 8.240 nan 0.000 0.518 629 A N 0.589 123.401 122.820 -0.014 0.000 2.343 629 A HA 0.590 4.916 4.320 0.011 0.000 0.223 629 A C 0.970 178.556 177.584 0.003 0.000 1.214 629 A CA 0.010 52.050 52.037 0.006 0.000 0.900 629 A CB -0.099 18.914 19.000 0.022 0.000 0.942 629 A HN 1.024 nan 8.150 nan 0.000 0.507 630 S N -1.161 114.532 115.700 -0.012 0.000 2.537 630 S HA 0.499 4.975 4.470 0.011 0.000 0.270 630 S C -2.569 172.014 174.600 -0.027 0.000 1.142 630 S CA -0.842 57.356 58.200 -0.004 0.000 0.870 630 S CB 1.687 64.902 63.200 0.025 0.000 1.112 630 S HN -0.075 nan 8.310 nan 0.000 0.466 631 P HA -0.036 nan 4.420 nan 0.000 0.218 631 P C 1.619 178.898 177.300 -0.034 0.000 1.149 631 P CA 1.068 64.141 63.100 -0.046 0.000 0.817 631 P CB -0.463 31.214 31.700 -0.038 0.000 0.785 632 I N -2.393 118.183 120.570 0.010 0.000 3.241 632 I HA -0.005 4.172 4.170 0.011 0.000 0.280 632 I C 1.256 177.418 176.117 0.074 0.000 1.320 632 I CA 1.134 62.459 61.300 0.042 0.000 1.413 632 I CB -0.774 37.305 38.000 0.131 0.000 1.060 632 I HN -0.150 nan 8.210 nan 0.000 0.500 633 E N 0.763 120.973 120.200 0.017 0.000 2.479 633 E HA 0.079 4.435 4.350 0.011 0.000 0.193 633 E C 0.305 176.875 176.600 -0.051 0.000 1.049 633 E CA -0.008 56.392 56.400 -0.001 0.000 0.870 633 E CB 0.455 30.148 29.700 -0.012 0.000 0.944 633 E HN 0.356 nan 8.360 nan 0.000 0.492 634 T N 1.030 115.533 114.554 -0.086 0.000 2.779 634 T HA 0.356 4.712 4.350 0.011 0.000 0.280 634 T C -0.719 173.894 174.700 -0.144 0.000 0.987 634 T CA -0.673 61.353 62.100 -0.123 0.000 0.966 634 T CB 0.561 69.336 68.868 -0.156 0.000 0.933 634 T HN -0.069 nan 8.240 nan 0.000 0.442 635 I N 5.594 126.041 120.570 -0.205 0.000 2.347 635 I HA 0.329 4.505 4.170 0.011 0.000 0.283 635 I C 0.158 176.184 176.117 -0.152 0.000 1.058 635 I CA -0.881 60.221 61.300 -0.330 0.000 1.202 635 I CB 0.446 37.957 38.000 -0.815 0.000 1.386 635 I HN 0.542 nan 8.210 nan 0.000 0.475 636 N N 6.987 125.663 118.700 -0.040 0.000 2.520 636 N HA 0.399 5.145 4.740 0.011 0.000 0.273 636 N C -0.587 175.072 175.510 0.248 0.000 1.155 636 N CA 0.137 53.246 53.050 0.099 0.000 0.967 636 N CB 1.216 39.708 38.487 0.008 0.000 1.092 636 N HN 0.493 nan 8.380 nan 0.000 0.457 637 Y N -2.124 118.203 120.300 0.046 0.000 2.713 637 Y HA 0.470 5.026 4.550 0.010 0.000 0.335 637 Y C -0.245 175.715 175.900 0.101 0.000 1.222 637 Y CA -1.278 56.895 58.100 0.122 0.000 1.061 637 Y CB 0.267 38.871 38.460 0.241 0.000 1.314 637 Y HN 0.085 nan 8.280 nan 0.000 0.453 638 V N -1.127 118.764 119.914 -0.039 0.000 3.382 638 V HA 0.612 4.739 4.120 0.011 0.000 0.296 638 V C -0.287 175.730 176.094 -0.127 0.000 1.529 638 V CA 0.440 62.634 62.300 -0.178 0.000 1.048 638 V CB -0.342 31.466 31.823 -0.025 0.000 0.878 638 V HN 1.387 nan 8.190 nan 0.000 0.442 639 S N -0.821 114.896 115.700 0.028 0.000 2.565 639 S HA 0.943 5.420 4.470 0.011 0.000 0.274 639 S C -0.732 174.040 174.600 0.288 0.000 1.144 639 S CA 0.050 58.301 58.200 0.086 0.000 0.849 639 S CB 1.583 64.864 63.200 0.135 0.000 1.103 639 S HN 1.887 nan 8.310 nan 0.000 0.455 640 A N 0.943 123.756 122.820 -0.011 0.000 2.515 640 A HA 0.742 5.068 4.320 0.011 0.000 0.299 640 A C 0.825 178.115 177.584 -0.491 0.000 1.179 640 A CA -0.175 51.855 52.037 -0.012 0.000 0.656 640 A CB -0.273 18.730 19.000 0.005 0.000 1.306 640 A HN 1.484 nan 8.150 nan 0.000 0.459 641 H N 0.198 119.144 119.070 -0.207 0.000 2.387 641 H HA -0.097 4.466 4.556 0.010 0.000 0.299 641 H C -0.191 174.996 175.328 -0.235 0.000 1.099 641 H CA 1.522 57.396 56.048 -0.291 0.000 1.315 641 H CB -0.625 28.780 29.762 -0.595 0.000 1.380 641 H HN 0.669 nan 8.280 nan 0.000 0.513 642 D N 0.976 120.954 120.400 -0.704 0.000 2.312 642 D HA 0.160 4.806 4.640 0.011 0.000 0.248 642 D C 0.193 176.426 176.300 -0.112 0.000 1.086 642 D CA -0.689 53.223 54.000 -0.146 0.000 0.948 642 D CB 0.686 41.361 40.800 -0.209 0.000 1.162 642 D HN 0.255 nan 8.370 nan 0.000 0.446 643 N N -0.455 118.242 118.700 -0.005 0.000 6.535 643 N HA -0.177 4.569 4.740 0.011 0.000 0.409 643 N C -0.777 174.722 175.510 -0.018 0.000 0.975 643 N CA 0.237 53.253 53.050 -0.058 0.000 1.813 643 N CB -0.650 37.747 38.487 -0.151 0.000 0.751 643 N HN 0.641 nan 8.380 nan 0.000 0.467 644 E N 0.794 120.981 120.200 -0.020 0.000 2.437 644 E HA 0.150 4.507 4.350 0.011 0.000 0.263 644 E C 0.632 177.247 176.600 0.025 0.000 1.030 644 E CA 0.217 56.636 56.400 0.032 0.000 0.934 644 E CB 0.297 30.020 29.700 0.039 0.000 0.943 644 E HN 0.526 nan 8.360 nan 0.000 0.444 645 T N 0.216 114.828 114.554 0.097 0.000 2.748 645 T HA -0.022 4.335 4.350 0.011 0.000 0.304 645 T C 1.127 175.914 174.700 0.146 0.000 1.041 645 T CA -0.675 61.499 62.100 0.124 0.000 1.033 645 T CB 0.447 69.465 68.868 0.250 0.000 0.995 645 T HN 0.377 nan 8.240 nan 0.000 0.536 646 L N 0.820 122.153 121.223 0.182 0.000 2.012 646 L HA 0.055 4.401 4.340 0.011 0.000 0.210 646 L C 2.211 179.180 176.870 0.164 0.000 1.073 646 L CA 1.814 56.750 54.840 0.160 0.000 0.748 646 L CB -1.407 40.777 42.059 0.208 0.000 0.891 646 L HN 0.823 nan 8.230 nan 0.000 0.431 647 F N 0.407 120.411 119.950 0.089 0.000 2.134 647 F HA -0.214 4.319 4.527 0.010 0.000 0.299 647 F C 2.072 177.908 175.800 0.060 0.000 1.097 647 F CA 1.952 59.980 58.000 0.047 0.000 1.264 647 F CB -0.337 38.689 39.000 0.043 0.000 1.001 647 F HN 0.215 nan 8.300 nan 0.000 0.479 648 D N -0.315 120.305 120.400 0.366 0.000 2.144 648 D HA -0.154 4.493 4.640 0.011 0.000 0.200 648 D C 2.467 178.857 176.300 0.151 0.000 0.978 648 D CA 1.281 55.495 54.000 0.358 0.000 0.833 648 D CB -0.703 40.331 40.800 0.389 0.000 0.961 648 D HN 0.297 nan 8.370 nan 0.000 0.470 649 V N 0.619 120.578 119.914 0.075 0.000 2.548 649 V HA -0.137 3.989 4.120 0.011 0.000 0.249 649 V C 2.100 178.172 176.094 -0.036 0.000 1.055 649 V CA 0.996 63.304 62.300 0.014 0.000 1.065 649 V CB -0.180 31.634 31.823 -0.014 0.000 0.681 649 V HN 0.137 nan 8.190 nan 0.000 0.462 650 I N -0.345 120.168 120.570 -0.096 0.000 2.353 650 I HA -0.142 4.035 4.170 0.011 0.000 0.248 650 I C 2.389 178.382 176.117 -0.206 0.000 1.119 650 I CA 1.582 62.784 61.300 -0.162 0.000 1.417 650 I CB -0.337 37.530 38.000 -0.222 0.000 1.078 650 I HN 0.243 nan 8.210 nan 0.000 0.421 651 S N 0.040 115.575 115.700 -0.274 0.000 2.515 651 S HA -0.039 4.437 4.470 0.011 0.000 0.231 651 S C 1.880 176.551 174.600 0.118 0.000 0.987 651 S CA 0.603 58.686 58.200 -0.196 0.000 0.936 651 S CB 0.150 63.139 63.200 -0.351 0.000 0.766 651 S HN 0.219 nan 8.310 nan 0.000 0.528 652 V N 1.107 121.073 119.914 0.086 0.000 2.685 652 V HA 0.072 4.199 4.120 0.011 0.000 0.244 652 V C 2.012 178.137 176.094 0.052 0.000 1.054 652 V CA 1.092 63.456 62.300 0.107 0.000 1.076 652 V CB -0.169 31.704 31.823 0.084 0.000 0.725 652 V HN 0.335 nan 8.190 nan 0.000 0.467 653 K N 0.418 120.823 120.400 0.008 0.000 2.166 653 K HA 0.038 4.364 4.320 0.011 0.000 0.201 653 K C 1.147 177.750 176.600 0.005 0.000 1.052 653 K CA 0.992 57.279 56.287 -0.001 0.000 0.969 653 K CB -0.142 32.346 32.500 -0.021 0.000 0.761 653 K HN 0.623 nan 8.250 nan 0.000 0.459 654 T N 1.016 115.555 114.554 -0.026 0.000 2.860 654 T HA 0.188 4.544 4.350 0.011 0.000 0.299 654 T C -2.643 172.054 174.700 -0.007 0.000 1.045 654 T CA -1.854 60.222 62.100 -0.040 0.000 1.071 654 T CB 0.819 69.625 68.868 -0.103 0.000 0.985 654 T HN -0.205 nan 8.240 nan 0.000 0.537 655 P HA 0.122 nan 4.420 nan 0.000 0.266 655 P C 0.971 178.290 177.300 0.031 0.000 1.195 655 P CA -0.141 62.972 63.100 0.022 0.000 0.768 655 P CB 0.320 32.020 31.700 0.000 0.000 0.838 656 M N 2.097 121.768 119.600 0.119 0.000 2.213 656 M HA -0.147 4.340 4.480 0.011 0.000 0.263 656 M C 1.733 178.105 176.300 0.119 0.000 1.062 656 M CA 1.519 56.969 55.300 0.250 0.000 1.105 656 M CB -0.501 32.275 32.600 0.294 0.000 1.385 656 M HN 0.359 nan 8.290 nan 0.000 0.417 657 I N 0.747 121.349 120.570 0.053 0.000 2.454 657 I HA -0.124 4.052 4.170 0.011 0.000 0.254 657 I C 0.753 176.841 176.117 -0.048 0.000 1.156 657 I CA 0.843 62.154 61.300 0.019 0.000 1.433 657 I CB -0.191 37.817 38.000 0.014 0.000 1.082 657 I HN 0.076 nan 8.210 nan 0.000 0.432 658 L N 1.218 122.380 121.223 -0.102 0.000 2.525 658 L HA 0.006 4.352 4.340 0.011 0.000 0.278 658 L C 1.009 177.736 176.870 -0.238 0.000 1.218 658 L CA 0.017 54.762 54.840 -0.159 0.000 0.878 658 L CB -0.170 41.778 42.059 -0.186 0.000 1.127 658 L HN 0.309 nan 8.230 nan 0.000 0.492 659 S N 1.851 117.442 115.700 -0.182 0.000 2.614 659 S HA 0.098 4.574 4.470 0.011 0.000 0.265 659 S C 0.841 175.278 174.600 -0.271 0.000 1.303 659 S CA -0.713 57.372 58.200 -0.191 0.000 1.000 659 S CB 1.743 64.884 63.200 -0.098 0.000 0.935 659 S HN 0.459 nan 8.310 nan 0.000 0.551 660 V N 1.214 120.951 119.914 -0.295 0.000 2.759 660 V HA -0.119 4.007 4.120 0.011 0.000 0.256 660 V C 1.333 177.278 176.094 -0.249 0.000 1.080 660 V CA 2.314 64.406 62.300 -0.347 0.000 1.101 660 V CB -1.301 30.282 31.823 -0.400 0.000 0.698 660 V HN 0.934 nan 8.190 nan 0.000 0.477 661 D N -0.132 120.186 120.400 -0.137 0.000 2.117 661 D HA -0.179 4.468 4.640 0.011 0.000 0.198 661 D C 2.084 178.372 176.300 -0.021 0.000 0.982 661 D CA 1.591 55.597 54.000 0.010 0.000 0.828 661 D CB -0.132 40.708 40.800 0.067 0.000 0.967 661 D HN 0.572 nan 8.370 nan 0.000 0.464 662 E N 0.262 120.420 120.200 -0.070 0.000 2.107 662 E HA -0.034 4.322 4.350 0.011 0.000 0.191 662 E C 2.106 178.651 176.600 -0.091 0.000 0.982 662 E CA 0.465 56.823 56.400 -0.070 0.000 0.809 662 E CB 0.077 29.727 29.700 -0.084 0.000 0.756 662 E HN 0.210 nan 8.360 nan 0.000 0.459 663 R N 0.231 120.635 120.500 -0.161 0.000 2.115 663 R HA -0.092 4.255 4.340 0.011 0.000 0.230 663 R C 2.550 178.786 176.300 -0.107 0.000 1.111 663 R CA 0.950 56.928 56.100 -0.202 0.000 0.976 663 R CB -0.694 29.376 30.300 -0.383 0.000 0.870 663 R HN 0.270 nan 8.270 nan 0.000 0.445 664 C N 1.189 120.461 119.300 -0.046 0.000 2.403 664 C HA -0.110 4.357 4.460 0.011 0.000 0.277 664 C C 2.584 177.620 174.990 0.076 0.000 1.248 664 C CA 1.011 60.060 59.018 0.053 0.000 1.762 664 C CB -0.689 27.104 27.740 0.089 0.000 2.014 664 C HN 0.403 nan 8.230 nan 0.000 0.486 665 R N 0.146 120.674 120.500 0.046 0.000 2.093 665 R HA 0.062 4.408 4.340 0.011 0.000 0.224 665 R C 2.096 178.455 176.300 0.099 0.000 1.101 665 R CA 1.455 57.603 56.100 0.079 0.000 0.979 665 R CB -0.331 29.995 30.300 0.043 0.000 0.877 665 R HN 0.555 nan 8.270 nan 0.000 0.441 666 I N 1.378 121.967 120.570 0.033 0.000 2.226 666 I HA -0.282 3.894 4.170 0.011 0.000 0.245 666 I C 1.997 178.149 176.117 0.057 0.000 1.100 666 I CA 1.206 62.517 61.300 0.017 0.000 1.374 666 I CB -0.467 37.501 38.000 -0.055 0.000 1.057 666 I HN 0.239 nan 8.210 nan 0.000 0.413 667 N N -0.044 118.701 118.700 0.075 0.000 2.069 667 N HA -0.262 4.484 4.740 0.011 0.000 0.191 667 N C 1.985 177.618 175.510 0.204 0.000 1.031 667 N CA 1.400 54.531 53.050 0.135 0.000 0.852 667 N CB -0.406 38.185 38.487 0.173 0.000 1.018 667 N HN 0.517 nan 8.380 nan 0.000 0.423 668 H N 1.301 120.448 119.070 0.127 0.000 2.353 668 H HA -0.048 4.515 4.556 0.011 0.000 0.300 668 H C 2.170 177.585 175.328 0.147 0.000 1.090 668 H CA 0.757 56.893 56.048 0.146 0.000 1.327 668 H CB 0.156 29.983 29.762 0.107 0.000 1.383 668 H HN 0.094 nan 8.280 nan 0.000 0.508 669 L N 0.837 122.132 121.223 0.122 0.000 2.013 669 L HA -0.202 4.145 4.340 0.011 0.000 0.212 669 L C 2.978 179.899 176.870 0.085 0.000 1.073 669 L CA 1.675 56.581 54.840 0.109 0.000 0.753 669 L CB -1.609 40.533 42.059 0.138 0.000 0.890 669 L HN 0.336 nan 8.230 nan 0.000 0.432 670 A N 0.163 123.035 122.820 0.087 0.000 1.851 670 A HA -0.228 4.098 4.320 0.011 0.000 0.216 670 A C 2.443 180.097 177.584 0.116 0.000 1.195 670 A CA 2.522 54.610 52.037 0.084 0.000 0.622 670 A CB -0.844 18.211 19.000 0.091 0.000 0.831 670 A HN 0.583 nan 8.150 nan 0.000 0.444 671 S N -0.446 115.361 115.700 0.180 0.000 2.423 671 S HA -0.089 4.387 4.470 0.011 0.000 0.231 671 S C 1.968 176.672 174.600 0.173 0.000 1.014 671 S CA 1.372 59.762 58.200 0.316 0.000 0.965 671 S CB -0.506 62.988 63.200 0.490 0.000 0.785 671 S HN 0.438 nan 8.310 nan 0.000 0.495 672 S N 1.979 117.654 115.700 -0.041 0.000 2.368 672 S HA 0.086 4.562 4.470 0.011 0.000 0.224 672 S C 1.893 176.567 174.600 0.123 0.000 1.029 672 S CA 1.360 59.510 58.200 -0.084 0.000 0.988 672 S CB -0.455 62.614 63.200 -0.218 0.000 0.838 672 S HN 0.481 nan 8.310 nan 0.000 0.462 673 M N 0.516 120.177 119.600 0.100 0.000 2.202 673 M HA -0.099 4.387 4.480 0.011 0.000 0.262 673 M C 1.956 178.235 176.300 -0.034 0.000 1.063 673 M CA 1.144 56.388 55.300 -0.094 0.000 1.097 673 M CB -0.400 32.028 32.600 -0.288 0.000 1.382 673 M HN 0.311 nan 8.290 nan 0.000 0.413 674 M N -0.432 119.193 119.600 0.042 0.000 2.160 674 M HA -0.003 4.484 4.480 0.011 0.000 0.264 674 M C 2.464 178.795 176.300 0.051 0.000 1.073 674 M CA 1.514 56.828 55.300 0.023 0.000 1.142 674 M CB -1.457 31.146 32.600 0.005 0.000 1.358 674 M HN 0.278 nan 8.290 nan 0.000 0.422 675 A N 0.093 123.021 122.820 0.179 0.000 2.070 675 A HA -0.014 4.312 4.320 0.011 0.000 0.220 675 A C 1.973 179.519 177.584 -0.063 0.000 1.159 675 A CA 1.068 53.197 52.037 0.153 0.000 0.656 675 A CB -0.602 18.411 19.000 0.022 0.000 0.800 675 A HN 0.510 nan 8.150 nan 0.000 0.453 676 L N 0.053 121.259 121.223 -0.028 0.000 2.959 676 L HA 0.145 4.491 4.340 0.011 0.000 0.259 676 L C 0.701 177.646 176.870 0.125 0.000 1.185 676 L CA 0.014 54.818 54.840 -0.059 0.000 0.998 676 L CB 0.316 42.368 42.059 -0.011 0.000 1.337 676 L HN 0.387 nan 8.230 nan 0.000 0.555 677 S N -0.756 114.982 115.700 0.063 0.000 2.616 677 S HA 0.398 4.874 4.470 0.011 0.000 0.277 677 S C 0.151 174.768 174.600 0.029 0.000 1.234 677 S CA -0.819 57.412 58.200 0.051 0.000 1.028 677 S CB 1.463 64.656 63.200 -0.013 0.000 0.988 677 S HN 0.058 nan 8.310 nan 0.000 0.522 678 Q N 1.015 120.823 119.800 0.014 0.000 2.432 678 Q HA 0.484 4.830 4.340 0.011 0.000 0.264 678 Q C 1.102 177.072 176.000 -0.049 0.000 1.035 678 Q CA 1.360 57.150 55.803 -0.022 0.000 0.908 678 Q CB 0.288 28.991 28.738 -0.058 0.000 1.280 678 Q HN 1.344 nan 8.270 nan 0.000 0.455 679 G N 0.718 109.484 108.800 -0.055 0.000 2.508 679 G HA2 -0.212 3.754 3.960 0.011 0.000 0.220 679 G HA3 -0.212 3.754 3.960 0.011 0.000 0.220 679 G C -0.708 174.140 174.900 -0.087 0.000 1.287 679 G CA -0.554 44.502 45.100 -0.073 0.000 0.916 679 G HN 0.523 nan 8.290 nan 0.000 0.574 680 I N 2.358 122.858 120.570 -0.118 0.000 2.382 680 I HA 0.350 4.526 4.170 0.011 0.000 0.285 680 I C -2.294 173.737 176.117 -0.144 0.000 1.007 680 I CA -1.982 59.229 61.300 -0.149 0.000 1.142 680 I CB 2.291 40.149 38.000 -0.237 0.000 1.289 680 I HN 0.153 nan 8.210 nan 0.000 0.453 681 P HA 0.105 nan 4.420 nan 0.000 0.271 681 P C -1.020 176.076 177.300 -0.339 0.000 1.216 681 P CA 0.058 62.997 63.100 -0.268 0.000 0.771 681 P CB 0.395 31.950 31.700 -0.242 0.000 0.864 682 F N 4.387 124.000 119.950 -0.560 0.000 2.518 682 F HA 0.603 5.136 4.527 0.011 0.000 0.323 682 F C -1.602 173.988 175.800 -0.351 0.000 1.129 682 F CA -0.905 56.906 58.000 -0.314 0.000 0.920 682 F CB 0.817 39.769 39.000 -0.080 0.000 1.160 682 F HN 0.102 nan 8.300 nan 0.000 0.440 683 F N 4.956 124.844 119.950 -0.103 0.000 2.520 683 F HA 0.307 4.841 4.527 0.011 0.000 0.322 683 F C -0.039 175.681 175.800 -0.133 0.000 1.103 683 F CA -0.890 57.178 58.000 0.112 0.000 0.926 683 F CB 1.193 40.398 39.000 0.341 0.000 1.154 683 F HN 0.455 nan 8.300 nan 0.000 0.453 684 H N 2.601 121.784 119.070 0.189 0.000 2.620 684 H HA 0.526 5.088 4.556 0.011 0.000 0.313 684 H C -0.321 174.922 175.328 -0.141 0.000 1.075 684 H CA -0.698 55.371 56.048 0.034 0.000 1.397 684 H CB 1.287 31.161 29.762 0.187 0.000 1.446 684 H HN 0.888 nan 8.280 nan 0.000 0.493 685 A N 3.559 125.844 122.820 -0.891 0.000 2.550 685 A HA 0.252 4.578 4.320 0.011 0.000 0.263 685 A C 1.456 178.741 177.584 -0.499 0.000 1.065 685 A CA 1.007 52.530 52.037 -0.856 0.000 0.786 685 A CB -0.843 17.773 19.000 -0.639 0.000 0.985 685 A HN 1.152 nan 8.150 nan 0.000 0.518 686 G N 2.246 110.953 108.800 -0.156 0.000 2.380 686 G HA2 -0.200 3.766 3.960 0.011 0.000 0.197 686 G HA3 -0.200 3.766 3.960 0.011 0.000 0.197 686 G C 0.675 175.584 174.900 0.016 0.000 1.001 686 G CA 0.597 45.655 45.100 -0.070 0.000 0.668 686 G HN 0.589 nan 8.290 nan 0.000 0.483 687 D N 1.491 121.925 120.400 0.057 0.000 2.133 687 D HA -0.125 4.521 4.640 0.011 0.000 0.192 687 D C 2.445 178.754 176.300 0.016 0.000 1.001 687 D CA 1.645 55.724 54.000 0.132 0.000 0.844 687 D CB -0.094 40.860 40.800 0.256 0.000 0.944 687 D HN 0.724 nan 8.370 nan 0.000 0.447 688 E N 1.176 121.219 120.200 -0.262 0.000 2.347 688 E HA -0.137 4.220 4.350 0.011 0.000 0.196 688 E C 1.669 178.241 176.600 -0.047 0.000 1.008 688 E CA 0.520 56.682 56.400 -0.396 0.000 0.852 688 E CB -0.369 28.737 29.700 -0.991 0.000 0.783 688 E HN 0.542 nan 8.360 nan 0.000 0.505 689 I N -2.031 118.552 120.570 0.022 0.000 3.658 689 I HA 0.289 4.465 4.170 0.011 0.000 0.328 689 I C 0.157 176.279 176.117 0.009 0.000 1.567 689 I CA -0.722 60.614 61.300 0.060 0.000 1.078 689 I CB -0.000 38.083 38.000 0.139 0.000 1.267 689 I HN -0.185 nan 8.210 nan 0.000 0.495 690 L N 0.294 121.542 121.223 0.042 0.000 4.001 690 L HA -0.233 4.114 4.340 0.011 0.000 0.413 690 L C 0.918 177.684 176.870 -0.174 0.000 1.185 690 L CA 0.547 55.392 54.840 0.009 0.000 0.963 690 L CB -1.591 40.424 42.059 -0.074 0.000 1.976 690 L HN 0.661 nan 8.230 nan 0.000 0.939 691 R N 1.160 121.629 120.500 -0.052 0.000 2.566 691 R HA 0.218 4.565 4.340 0.011 0.000 0.273 691 R C 0.377 176.686 176.300 0.014 0.000 0.981 691 R CA 1.105 57.167 56.100 -0.063 0.000 1.091 691 R CB 0.722 31.011 30.300 -0.019 0.000 0.924 691 R HN 0.231 nan 8.270 nan 0.000 0.411 692 S N 2.177 117.870 115.700 -0.012 0.000 2.548 692 S HA 0.346 4.822 4.470 0.011 0.000 0.286 692 S C -0.560 174.115 174.600 0.125 0.000 1.098 692 S CA -0.900 57.390 58.200 0.150 0.000 0.930 692 S CB 1.583 64.920 63.200 0.227 0.000 1.070 692 S HN 0.719 nan 8.310 nan 0.000 0.480 693 K N 1.775 122.291 120.400 0.193 0.000 2.593 693 K HA 0.305 4.631 4.320 0.011 0.000 0.208 693 K C 0.200 176.915 176.600 0.191 0.000 1.051 693 K CA -0.077 56.315 56.287 0.174 0.000 1.111 693 K CB 0.459 33.073 32.500 0.190 0.000 0.849 693 K HN 0.620 nan 8.250 nan 0.000 0.479 694 S N 1.252 117.029 115.700 0.129 0.000 3.641 694 S HA -0.185 4.291 4.470 0.011 0.000 0.346 694 S C 0.427 175.010 174.600 -0.028 0.000 1.074 694 S CA 0.884 59.056 58.200 -0.047 0.000 1.026 694 S CB -1.482 61.736 63.200 0.030 0.000 0.908 694 S HN 0.608 nan 8.310 nan 0.000 0.479 695 I N -1.627 119.008 120.570 0.108 0.000 5.719 695 I HA -0.208 3.968 4.170 0.011 0.000 0.126 695 I C 0.003 176.158 176.117 0.064 0.000 1.816 695 I CA 0.757 62.127 61.300 0.115 0.000 2.038 695 I CB -1.486 36.560 38.000 0.076 0.000 3.381 695 I HN 0.427 nan 8.210 nan 0.000 0.169 696 D N 2.230 122.662 120.400 0.052 0.000 2.348 696 D HA 0.225 4.871 4.640 0.011 0.000 0.253 696 D C 1.430 177.758 176.300 0.047 0.000 1.161 696 D CA -0.217 53.782 54.000 -0.002 0.000 0.876 696 D CB 0.835 41.594 40.800 -0.068 0.000 1.160 696 D HN 0.494 nan 8.370 nan 0.000 0.459 697 R N 1.819 122.335 120.500 0.027 0.000 2.334 697 R HA 0.177 4.524 4.340 0.011 0.000 0.216 697 R C -0.237 176.104 176.300 0.068 0.000 0.905 697 R CA -0.168 55.952 56.100 0.033 0.000 1.064 697 R CB 0.463 30.759 30.300 -0.007 0.000 1.046 697 R HN 0.092 nan 8.270 nan 0.000 0.508 698 D N 0.914 121.360 120.400 0.077 0.000 2.934 698 D HA -0.001 4.646 4.640 0.011 0.000 0.249 698 D C -0.365 175.938 176.300 0.005 0.000 1.293 698 D CA -0.263 53.808 54.000 0.118 0.000 0.812 698 D CB 0.880 41.734 40.800 0.091 0.000 1.439 698 D HN 0.167 nan 8.370 nan 0.000 0.555 699 S N 0.683 116.365 115.700 -0.030 0.000 2.803 699 S HA -0.055 4.421 4.470 0.011 0.000 0.228 699 S C 1.755 175.959 174.600 -0.660 0.000 0.953 699 S CA -0.414 57.676 58.200 -0.183 0.000 0.983 699 S CB -0.864 62.392 63.200 0.095 0.000 0.784 699 S HN 0.470 nan 8.310 nan 0.000 0.498 700 Y N 1.025 120.472 120.300 -1.421 0.000 2.384 700 Y HA 0.120 4.676 4.550 0.011 0.000 0.289 700 Y C 1.304 176.823 175.900 -0.635 0.000 1.152 700 Y CA 1.241 58.247 58.100 -1.824 0.000 1.258 700 Y CB -0.623 37.146 38.460 -1.151 0.000 0.979 700 Y HN 0.444 nan 8.280 nan 0.000 0.549 701 N N -0.761 117.228 118.700 -1.185 0.000 2.307 701 N HA 0.130 4.876 4.740 0.011 0.000 0.248 701 N C -0.258 174.977 175.510 -0.459 0.000 1.322 701 N CA 0.210 52.746 53.050 -0.856 0.000 0.861 701 N CB 0.262 37.937 38.487 -1.354 0.000 1.303 701 N HN 0.191 nan 8.380 nan 0.000 0.498 702 S N -0.593 114.882 115.700 -0.375 0.000 2.572 702 S HA 0.459 4.936 4.470 0.011 0.000 0.228 702 S C 0.711 175.241 174.600 -0.116 0.000 0.963 702 S CA 0.074 58.151 58.200 -0.205 0.000 0.939 702 S CB 0.056 63.138 63.200 -0.198 0.000 0.804 702 S HN 0.648 nan 8.310 nan 0.000 0.480 703 G N 2.101 110.686 108.800 -0.357 0.000 2.855 703 G HA2 -0.223 3.743 3.960 0.011 0.000 0.352 703 G HA3 -0.223 3.743 3.960 0.011 0.000 0.352 703 G C -0.149 174.396 174.900 -0.592 0.000 1.415 703 G CA -0.137 44.742 45.100 -0.369 0.000 0.871 703 G HN 0.275 nan 8.290 nan 0.000 0.543 704 D N -0.819 119.442 120.400 -0.231 0.000 2.219 704 D HA -0.068 4.578 4.640 0.011 0.000 0.205 704 D C 1.830 178.188 176.300 0.097 0.000 0.970 704 D CA 1.412 55.403 54.000 -0.014 0.000 0.851 704 D CB -0.091 40.800 40.800 0.150 0.000 0.943 704 D HN 0.509 nan 8.370 nan 0.000 0.488 705 W N 0.526 121.756 121.300 -0.116 0.000 2.355 705 W HA -0.215 4.451 4.660 0.010 0.000 0.309 705 W C 1.040 177.329 176.519 -0.384 0.000 1.206 705 W CA 0.887 58.079 57.345 -0.255 0.000 1.284 705 W CB -0.359 28.879 29.460 -0.370 0.000 1.145 705 W HN -0.081 nan 8.180 nan 0.000 0.502 706 F N 0.407 120.322 119.950 -0.057 0.000 2.765 706 F HA 0.109 4.642 4.527 0.011 0.000 0.302 706 F C 1.444 177.153 175.800 -0.153 0.000 1.111 706 F CA 0.612 58.535 58.000 -0.129 0.000 1.359 706 F CB -0.473 38.515 39.000 -0.019 0.000 1.097 706 F HN -0.180 nan 8.300 nan 0.000 0.577 707 N N 0.394 119.061 118.700 -0.054 0.000 2.235 707 N HA 0.009 4.756 4.740 0.011 0.000 0.231 707 N C 0.169 175.644 175.510 -0.059 0.000 1.177 707 N CA -0.005 53.034 53.050 -0.019 0.000 0.874 707 N CB 0.361 38.807 38.487 -0.068 0.000 1.097 707 N HN 0.186 nan 8.380 nan 0.000 0.518 708 K N 1.419 121.686 120.400 -0.222 0.000 2.484 708 K HA 0.059 4.385 4.320 0.011 0.000 0.280 708 K C -0.413 175.986 176.600 -0.335 0.000 1.013 708 K CA 0.333 56.380 56.287 -0.400 0.000 1.029 708 K CB 0.506 32.554 32.500 -0.754 0.000 0.902 708 K HN 0.085 nan 8.250 nan 0.000 0.481 709 L N 4.726 125.747 121.223 -0.337 0.000 2.301 709 L HA 0.149 4.496 4.340 0.011 0.000 0.278 709 L C -0.581 175.849 176.870 -0.732 0.000 1.022 709 L CA -0.735 53.793 54.840 -0.520 0.000 0.854 709 L CB 1.207 42.965 42.059 -0.502 0.000 1.226 709 L HN 0.678 nan 8.230 nan 0.000 0.429 710 D N 2.719 122.723 120.400 -0.660 0.000 2.365 710 D HA 0.119 4.766 4.640 0.011 0.000 0.237 710 D C 0.341 176.224 176.300 -0.695 0.000 1.190 710 D CA -0.127 53.534 54.000 -0.565 0.000 0.867 710 D CB 0.652 41.213 40.800 -0.398 0.000 1.050 710 D HN 0.189 nan 8.370 nan 0.000 0.491 711 F N 1.249 120.901 119.950 -0.496 0.000 2.732 711 F HA 0.052 4.585 4.527 0.010 0.000 0.303 711 F C 2.379 177.602 175.800 -0.962 0.000 1.110 711 F CA 0.225 57.751 58.000 -0.790 0.000 1.355 711 F CB -0.140 38.534 39.000 -0.543 0.000 1.081 711 F HN 0.374 nan 8.300 nan 0.000 0.565 712 T N -4.684 109.580 114.554 -0.484 0.000 3.081 712 T HA -0.085 4.271 4.350 0.011 0.000 0.255 712 T C 0.563 175.151 174.700 -0.187 0.000 1.113 712 T CA 0.323 62.246 62.100 -0.296 0.000 1.082 712 T CB -0.690 68.091 68.868 -0.146 0.000 0.939 712 T HN 0.268 nan 8.240 nan 0.000 0.506 713 Y N 0.999 121.279 120.300 -0.035 0.000 4.409 713 Y HA -0.194 4.363 4.550 0.011 0.000 0.228 713 Y C 1.174 177.045 175.900 -0.050 0.000 1.108 713 Y CA 0.280 58.357 58.100 -0.039 0.000 1.955 713 Y CB -2.811 35.655 38.460 0.009 0.000 1.615 713 Y HN 0.361 nan 8.280 nan 0.000 0.665 714 E N 0.056 120.260 120.200 0.006 0.000 2.170 714 E HA 0.050 4.406 4.350 0.011 0.000 0.191 714 E C 1.312 177.890 176.600 -0.037 0.000 0.981 714 E CA 1.400 57.794 56.400 -0.010 0.000 0.830 714 E CB 0.247 29.921 29.700 -0.043 0.000 0.775 714 E HN 0.610 nan 8.360 nan 0.000 0.470 715 T N -0.501 114.001 114.554 -0.088 0.000 2.841 715 T HA 0.335 4.691 4.350 0.011 0.000 0.296 715 T C 0.104 174.708 174.700 -0.160 0.000 1.166 715 T CA -0.899 61.131 62.100 -0.117 0.000 1.007 715 T CB 1.477 70.250 68.868 -0.158 0.000 1.253 715 T HN -0.055 nan 8.240 nan 0.000 0.511 716 N N 0.187 118.779 118.700 -0.180 0.000 2.197 716 N HA 0.122 4.869 4.740 0.011 0.000 0.228 716 N C 0.345 175.729 175.510 -0.211 0.000 1.212 716 N CA -0.290 52.621 53.050 -0.231 0.000 0.883 716 N CB -0.379 37.898 38.487 -0.349 0.000 1.107 716 N HN 0.774 nan 8.380 nan 0.000 0.519 717 N N 0.026 118.597 118.700 -0.214 0.000 2.818 717 N HA -0.167 4.580 4.740 0.011 0.000 0.250 717 N C -1.199 174.244 175.510 -0.113 0.000 1.108 717 N CA 0.432 53.328 53.050 -0.256 0.000 0.745 717 N CB -1.543 36.758 38.487 -0.310 0.000 1.104 717 N HN 0.623 nan 8.380 nan 0.000 0.557 718 W N 0.716 121.892 121.300 -0.208 0.000 2.376 718 W HA 0.480 5.146 4.660 0.010 0.000 0.322 718 W C 0.999 177.483 176.519 -0.058 0.000 1.160 718 W CA 0.535 57.825 57.345 -0.091 0.000 1.218 718 W CB 0.637 30.059 29.460 -0.063 0.000 1.205 718 W HN 0.581 nan 8.180 nan 0.000 0.559 719 G N 3.522 111.828 108.800 -0.824 0.000 2.272 719 G HA2 -0.246 3.720 3.960 0.011 0.000 0.280 719 G HA3 -0.246 3.720 3.960 0.011 0.000 0.280 719 G C -0.141 174.616 174.900 -0.239 0.000 1.067 719 G CA 0.232 45.007 45.100 -0.541 0.000 0.902 719 G HN 1.338 nan 8.290 nan 0.000 0.500 720 V N -2.330 117.451 119.914 -0.221 0.000 3.039 720 V HA 0.729 4.855 4.120 0.011 0.000 0.369 720 V C 1.146 177.312 176.094 0.120 0.000 1.344 720 V CA 0.255 62.501 62.300 -0.089 0.000 1.270 720 V CB -0.191 31.373 31.823 -0.432 0.000 1.284 720 V HN 2.305 nan 8.190 nan 0.000 0.518 721 G N 0.259 109.073 108.800 0.024 0.000 2.612 721 G HA2 -0.084 3.882 3.960 0.011 0.000 0.686 721 G HA3 -0.084 3.882 3.960 0.011 0.000 0.686 721 G C -0.791 174.117 174.900 0.013 0.000 1.274 721 G CA -0.590 44.533 45.100 0.037 0.000 0.849 721 G HN 0.499 nan 8.290 nan 0.000 0.595 722 L N 1.342 122.443 121.223 -0.204 0.000 2.467 722 L HA 0.339 4.685 4.340 0.011 0.000 0.270 722 L C -1.595 175.184 176.870 -0.153 0.000 1.205 722 L CA -1.456 53.141 54.840 -0.406 0.000 0.828 722 L CB 0.591 41.927 42.059 -1.205 0.000 1.101 722 L HN 0.376 nan 8.230 nan 0.000 0.479 723 P HA 0.186 nan 4.420 nan 0.000 0.274 723 P C -2.523 174.732 177.300 -0.075 0.000 1.231 723 P CA -1.635 61.241 63.100 -0.372 0.000 0.790 723 P CB -0.043 31.549 31.700 -0.180 0.000 0.951 724 P HA -0.121 nan 4.420 nan 0.000 0.257 724 P C 1.084 178.410 177.300 0.043 0.000 1.162 724 P CA 0.917 63.970 63.100 -0.079 0.000 0.762 724 P CB -0.081 31.496 31.700 -0.205 0.000 0.753 725 S N 3.057 118.821 115.700 0.107 0.000 2.400 725 S HA -0.269 4.207 4.470 0.011 0.000 0.232 725 S C 1.749 176.193 174.600 -0.259 0.000 1.025 725 S CA 1.358 59.404 58.200 -0.257 0.000 0.993 725 S CB -0.898 62.065 63.200 -0.395 0.000 0.808 725 S HN 0.565 nan 8.310 nan 0.000 0.478 726 E N 1.280 121.398 120.200 -0.137 0.000 2.147 726 E HA -0.223 4.134 4.350 0.011 0.000 0.199 726 E C 1.196 177.734 176.600 -0.104 0.000 1.005 726 E CA 1.309 57.645 56.400 -0.107 0.000 0.810 726 E CB 0.045 29.712 29.700 -0.055 0.000 0.736 726 E HN 0.443 nan 8.360 nan 0.000 0.460 727 K N -0.899 119.445 120.400 -0.095 0.000 2.402 727 K HA 0.168 4.494 4.320 0.011 0.000 0.204 727 K C 0.548 177.091 176.600 -0.094 0.000 1.056 727 K CA 0.013 56.257 56.287 -0.071 0.000 1.069 727 K CB 0.790 33.277 32.500 -0.021 0.000 0.888 727 K HN 0.115 nan 8.250 nan 0.000 0.546 728 N N 0.441 119.055 118.700 -0.144 0.000 2.113 728 N HA -0.028 4.719 4.740 0.011 0.000 0.223 728 N C 1.216 176.489 175.510 -0.395 0.000 1.310 728 N CA 0.053 53.032 53.050 -0.117 0.000 0.896 728 N CB 1.062 39.597 38.487 0.080 0.000 1.097 728 N HN 0.235 nan 8.380 nan 0.000 0.507 729 E N 1.542 121.303 120.200 -0.731 0.000 2.130 729 E HA -0.186 4.170 4.350 0.011 0.000 0.196 729 E C 0.267 176.477 176.600 -0.650 0.000 0.998 729 E CA 1.360 57.000 56.400 -1.267 0.000 0.806 729 E CB 0.183 29.298 29.700 -0.975 0.000 0.738 729 E HN 0.109 nan 8.360 nan 0.000 0.459 730 D N -0.191 120.002 120.400 -0.346 0.000 2.371 730 D HA -0.050 4.596 4.640 0.011 0.000 0.221 730 D C 0.634 176.879 176.300 -0.091 0.000 0.986 730 D CA 0.444 54.336 54.000 -0.179 0.000 0.899 730 D CB 0.029 40.751 40.800 -0.130 0.000 0.902 730 D HN 0.152 nan 8.370 nan 0.000 0.530 731 N N -1.042 117.620 118.700 -0.063 0.000 2.171 731 N HA -0.012 4.734 4.740 0.011 0.000 0.212 731 N C 1.182 176.794 175.510 0.170 0.000 1.184 731 N CA -0.277 52.794 53.050 0.036 0.000 0.888 731 N CB 0.171 38.672 38.487 0.024 0.000 1.038 731 N HN 0.123 nan 8.380 nan 0.000 0.517 732 W N 2.195 123.464 121.300 -0.051 0.000 2.318 732 W HA -0.051 4.615 4.660 0.011 0.000 0.313 732 W C -0.676 175.815 176.519 -0.048 0.000 1.221 732 W CA 1.049 58.361 57.345 -0.054 0.000 1.266 732 W CB -1.911 27.517 29.460 -0.054 0.000 1.150 732 W HN 0.173 nan 8.180 nan 0.000 0.496 733 P HA -0.169 nan 4.420 nan 0.000 0.219 733 P C 1.897 179.230 177.300 0.055 0.000 1.146 733 P CA 1.386 64.543 63.100 0.095 0.000 0.808 733 P CB -0.246 31.496 31.700 0.070 0.000 0.779 734 L N -2.236 119.023 121.223 0.060 0.000 2.270 734 L HA 0.093 4.439 4.340 0.011 0.000 0.210 734 L C 2.100 178.985 176.870 0.025 0.000 1.104 734 L CA 1.597 56.459 54.840 0.035 0.000 0.804 734 L CB -0.623 41.452 42.059 0.028 0.000 0.937 734 L HN -0.120 nan 8.230 nan 0.000 0.450 735 M N -1.350 118.266 119.600 0.027 0.000 2.325 735 M HA -0.053 4.433 4.480 0.011 0.000 0.265 735 M C 2.166 178.404 176.300 -0.103 0.000 1.094 735 M CA 0.984 56.269 55.300 -0.024 0.000 1.161 735 M CB -0.347 32.238 32.600 -0.025 0.000 1.358 735 M HN 0.036 nan 8.290 nan 0.000 0.446 736 K N 1.146 121.484 120.400 -0.104 0.000 2.015 736 K HA -0.197 4.130 4.320 0.011 0.000 0.216 736 K C -0.936 175.585 176.600 -0.132 0.000 1.052 736 K CA 2.048 58.249 56.287 -0.143 0.000 0.937 736 K CB -1.085 31.349 32.500 -0.110 0.000 0.719 736 K HN 0.095 nan 8.250 nan 0.000 0.446 737 P HA -0.141 nan 4.420 nan 0.000 0.216 737 P C 0.711 177.888 177.300 -0.205 0.000 1.150 737 P CA 1.516 64.549 63.100 -0.111 0.000 0.837 737 P CB -0.028 31.629 31.700 -0.072 0.000 0.786 738 R N -0.882 119.466 120.500 -0.254 0.000 2.090 738 R HA 0.047 4.393 4.340 0.011 0.000 0.228 738 R C 2.344 178.514 176.300 -0.217 0.000 1.110 738 R CA 0.929 56.728 56.100 -0.503 0.000 0.973 738 R CB -0.892 29.258 30.300 -0.249 0.000 0.869 738 R HN 0.234 nan 8.270 nan 0.000 0.440 739 L N 0.621 121.722 121.223 -0.203 0.000 2.141 739 L HA -0.129 4.217 4.340 0.011 0.000 0.209 739 L C 1.793 178.584 176.870 -0.132 0.000 1.094 739 L CA 1.315 55.955 54.840 -0.333 0.000 0.763 739 L CB -0.206 41.581 42.059 -0.453 0.000 0.908 739 L HN 0.219 nan 8.230 nan 0.000 0.437 740 E N -0.604 119.530 120.200 -0.110 0.000 2.435 740 E HA -0.069 4.287 4.350 0.011 0.000 0.195 740 E C 0.466 177.068 176.600 0.004 0.000 1.029 740 E CA -0.168 56.201 56.400 -0.051 0.000 0.865 740 E CB 0.037 29.699 29.700 -0.064 0.000 0.833 740 E HN 0.233 nan 8.360 nan 0.000 0.510 741 N N 2.069 120.762 118.700 -0.012 0.000 2.402 741 N HA 0.010 4.757 4.740 0.011 0.000 0.252 741 N C -1.679 173.962 175.510 0.219 0.000 1.118 741 N CA -1.919 51.164 53.050 0.055 0.000 0.945 741 N CB 0.991 39.432 38.487 -0.077 0.000 1.147 741 N HN -0.106 nan 8.380 nan 0.000 0.495 742 P HA -0.134 nan 4.420 nan 0.000 0.221 742 P C 0.635 178.055 177.300 0.199 0.000 1.145 742 P CA 1.027 64.234 63.100 0.179 0.000 0.795 742 P CB 0.107 31.875 31.700 0.114 0.000 0.775 743 S N -2.670 113.170 115.700 0.234 0.000 2.603 743 S HA 0.084 4.561 4.470 0.011 0.000 0.220 743 S C 1.307 175.989 174.600 0.136 0.000 0.967 743 S CA -0.123 58.175 58.200 0.163 0.000 0.920 743 S CB -1.043 62.234 63.200 0.130 0.000 0.773 743 S HN -0.066 nan 8.310 nan 0.000 0.529 744 F N 1.642 121.585 119.950 -0.012 0.000 2.714 744 F HA 0.440 4.974 4.527 0.010 0.000 0.294 744 F C 1.175 176.777 175.800 -0.330 0.000 1.120 744 F CA -0.375 57.519 58.000 -0.176 0.000 1.398 744 F CB 0.154 39.118 39.000 -0.060 0.000 1.120 744 F HN 0.097 nan 8.300 nan 0.000 0.589 745 K N 2.274 122.722 120.400 0.079 0.000 2.285 745 K HA 0.237 4.564 4.320 0.011 0.000 0.286 745 K C -2.578 173.993 176.600 -0.048 0.000 1.072 745 K CA -1.886 54.437 56.287 0.060 0.000 0.913 745 K CB 0.652 33.303 32.500 0.251 0.000 1.067 745 K HN -0.137 nan 8.250 nan 0.000 0.479 746 P HA 0.159 nan 4.420 nan 0.000 0.277 746 P C -1.272 176.050 177.300 0.037 0.000 1.240 746 P CA -0.479 62.522 63.100 -0.164 0.000 0.798 746 P CB 1.505 33.098 31.700 -0.178 0.000 0.979 747 A N 1.712 124.706 122.820 0.290 0.000 2.263 747 A HA 0.373 4.700 4.320 0.011 0.000 0.318 747 A C 1.496 179.174 177.584 0.156 0.000 1.111 747 A CA -0.538 51.621 52.037 0.205 0.000 0.901 747 A CB 0.422 19.534 19.000 0.186 0.000 1.280 747 A HN 0.531 nan 8.150 nan 0.000 0.503 748 K N -0.327 120.116 120.400 0.072 0.000 2.074 748 K HA -0.170 4.156 4.320 0.011 0.000 0.209 748 K C 1.760 178.365 176.600 0.008 0.000 1.048 748 K CA 2.123 58.441 56.287 0.052 0.000 0.926 748 K CB -0.673 31.852 32.500 0.043 0.000 0.713 748 K HN 0.792 nan 8.250 nan 0.000 0.444 749 G N 0.048 108.813 108.800 -0.058 0.000 2.476 749 G HA2 -0.295 3.672 3.960 0.011 0.000 0.218 749 G HA3 -0.295 3.672 3.960 0.011 0.000 0.218 749 G C 0.956 175.755 174.900 -0.168 0.000 1.164 749 G CA 1.558 46.563 45.100 -0.158 0.000 0.768 749 G HN 0.480 nan 8.290 nan 0.000 0.560 750 H N 0.272 119.331 119.070 -0.018 0.000 2.321 750 H HA 0.041 4.603 4.556 0.011 0.000 0.300 750 H C 2.621 177.939 175.328 -0.017 0.000 1.087 750 H CA 1.412 57.451 56.048 -0.015 0.000 1.319 750 H CB -0.182 29.578 29.762 -0.004 0.000 1.379 750 H HN 0.325 nan 8.280 nan 0.000 0.501 751 I N 0.374 121.012 120.570 0.112 0.000 2.163 751 I HA -0.286 3.890 4.170 0.011 0.000 0.243 751 I C 2.002 178.105 176.117 -0.024 0.000 1.085 751 I CA 1.264 62.595 61.300 0.052 0.000 1.347 751 I CB -0.321 37.721 38.000 0.069 0.000 1.044 751 I HN 0.209 nan 8.210 nan 0.000 0.408 752 L N 0.379 121.555 121.223 -0.078 0.000 2.056 752 L HA -0.184 4.162 4.340 0.011 0.000 0.207 752 L C 2.884 179.693 176.870 -0.102 0.000 1.078 752 L CA 1.253 55.996 54.840 -0.161 0.000 0.749 752 L CB -0.749 41.217 42.059 -0.154 0.000 0.901 752 L HN 0.247 nan 8.230 nan 0.000 0.433 753 A N 0.209 122.990 122.820 -0.064 0.000 1.877 753 A HA -0.198 4.128 4.320 0.011 0.000 0.216 753 A C 2.558 180.122 177.584 -0.034 0.000 1.186 753 A CA 1.804 53.808 52.037 -0.056 0.000 0.620 753 A CB -0.745 18.225 19.000 -0.050 0.000 0.822 753 A HN 0.400 nan 8.150 nan 0.000 0.443 754 A N -0.557 122.270 122.820 0.013 0.000 1.908 754 A HA -0.088 4.238 4.320 0.011 0.000 0.218 754 A C 2.138 179.776 177.584 0.090 0.000 1.181 754 A CA 1.869 53.947 52.037 0.068 0.000 0.627 754 A CB -0.616 18.446 19.000 0.104 0.000 0.818 754 A HN 0.742 nan 8.150 nan 0.000 0.445 755 L N 0.124 121.361 121.223 0.023 0.000 2.093 755 L HA -0.107 4.240 4.340 0.011 0.000 0.208 755 L C 1.850 178.740 176.870 0.034 0.000 1.085 755 L CA 2.711 57.558 54.840 0.012 0.000 0.755 755 L CB -0.749 41.255 42.059 -0.093 0.000 0.904 755 L HN 0.467 nan 8.230 nan 0.000 0.435 756 D N -1.161 119.228 120.400 -0.018 0.000 2.097 756 D HA -0.180 4.466 4.640 0.011 0.000 0.197 756 D C 2.268 178.567 176.300 -0.002 0.000 0.984 756 D CA 1.490 55.475 54.000 -0.026 0.000 0.826 756 D CB 0.023 40.789 40.800 -0.057 0.000 0.973 756 D HN 0.524 nan 8.370 nan 0.000 0.460 757 S N -0.994 114.689 115.700 -0.028 0.000 2.428 757 S HA -0.121 4.355 4.470 0.011 0.000 0.230 757 S C 2.049 176.749 174.600 0.166 0.000 1.014 757 S CA 0.270 58.415 58.200 -0.091 0.000 0.957 757 S CB -0.839 62.049 63.200 -0.521 0.000 0.784 757 S HN 0.363 nan 8.310 nan 0.000 0.499 758 F N 2.641 122.645 119.950 0.089 0.000 2.113 758 F HA -0.026 4.507 4.527 0.010 0.000 0.297 758 F C 2.301 178.088 175.800 -0.022 0.000 1.103 758 F CA 1.235 59.283 58.000 0.079 0.000 1.248 758 F CB -0.554 38.462 39.000 0.025 0.000 0.999 758 F HN 0.035 nan 8.300 nan 0.000 0.475 759 V N 0.711 120.746 119.914 0.201 0.000 2.252 759 V HA -0.359 3.767 4.120 0.011 0.000 0.249 759 V C 2.102 178.175 176.094 -0.035 0.000 1.056 759 V CA 2.379 64.716 62.300 0.062 0.000 1.022 759 V CB -0.719 31.124 31.823 0.034 0.000 0.641 759 V HN 0.316 nan 8.190 nan 0.000 0.445 760 D N -0.200 120.185 120.400 -0.025 0.000 2.123 760 D HA -0.145 4.501 4.640 0.011 0.000 0.196 760 D C 2.055 178.287 176.300 -0.113 0.000 0.992 760 D CA 1.177 55.145 54.000 -0.052 0.000 0.833 760 D CB -0.214 40.561 40.800 -0.040 0.000 0.954 760 D HN 0.290 nan 8.370 nan 0.000 0.455 761 I N 0.571 121.063 120.570 -0.131 0.000 2.315 761 I HA -0.177 3.999 4.170 0.011 0.000 0.248 761 I C 2.521 178.471 176.117 -0.279 0.000 1.117 761 I CA 0.612 61.775 61.300 -0.228 0.000 1.404 761 I CB -0.873 36.972 38.000 -0.257 0.000 1.071 761 I HN 0.081 nan 8.210 nan 0.000 0.419 762 L N 0.518 121.578 121.223 -0.272 0.000 2.012 762 L HA -0.241 4.105 4.340 0.011 0.000 0.210 762 L C 2.600 179.484 176.870 0.023 0.000 1.073 762 L CA 1.527 56.295 54.840 -0.120 0.000 0.748 762 L CB -0.456 41.546 42.059 -0.096 0.000 0.891 762 L HN 0.202 nan 8.230 nan 0.000 0.431 763 K N -0.055 120.332 120.400 -0.022 0.000 2.103 763 K HA -0.169 4.157 4.320 0.011 0.000 0.207 763 K C 1.988 178.585 176.600 -0.006 0.000 1.048 763 K CA 1.299 57.602 56.287 0.028 0.000 0.930 763 K CB -0.165 32.340 32.500 0.007 0.000 0.716 763 K HN 0.326 nan 8.250 nan 0.000 0.444 764 I N 0.442 120.900 120.570 -0.186 0.000 2.353 764 I HA -0.228 3.948 4.170 0.011 0.000 0.248 764 I C 2.632 178.522 176.117 -0.377 0.000 1.119 764 I CA 0.856 61.939 61.300 -0.363 0.000 1.417 764 I CB -0.220 37.416 38.000 -0.607 0.000 1.078 764 I HN 0.154 nan 8.210 nan 0.000 0.421 765 R N 0.728 120.955 120.500 -0.455 0.000 2.120 765 R HA -0.188 4.159 4.340 0.011 0.000 0.234 765 R C 1.462 177.588 176.300 -0.289 0.000 1.123 765 R CA 1.702 57.470 56.100 -0.553 0.000 0.975 765 R CB -0.114 29.873 30.300 -0.521 0.000 0.866 765 R HN 0.301 nan 8.270 nan 0.000 0.446 766 Y N -0.135 120.171 120.300 0.011 0.000 2.524 766 Y HA 0.132 4.688 4.550 0.010 0.000 0.266 766 Y C 1.936 177.915 175.900 0.132 0.000 1.180 766 Y CA 0.316 58.464 58.100 0.079 0.000 1.244 766 Y CB 0.803 39.287 38.460 0.041 0.000 1.125 766 Y HN 0.198 nan 8.280 nan 0.000 0.524 767 S N -2.109 113.765 115.700 0.290 0.000 2.503 767 S HA 0.122 4.598 4.470 0.011 0.000 0.217 767 S C 0.761 175.605 174.600 0.408 0.000 0.999 767 S CA 0.208 58.620 58.200 0.353 0.000 0.914 767 S CB 0.242 63.717 63.200 0.459 0.000 0.782 767 S HN 0.106 nan 8.310 nan 0.000 0.520 768 S N 1.006 116.957 115.700 0.419 0.000 2.548 768 S HA 0.601 5.078 4.470 0.011 0.000 0.276 768 S C -2.805 171.929 174.600 0.225 0.000 1.129 768 S CA -1.304 57.102 58.200 0.344 0.000 0.931 768 S CB 1.764 65.189 63.200 0.374 0.000 1.068 768 S HN -0.029 nan 8.310 nan 0.000 0.480 769 P HA 0.108 nan 4.420 nan 0.000 0.230 769 P C 1.218 178.515 177.300 -0.005 0.000 1.158 769 P CA 0.434 63.570 63.100 0.060 0.000 0.769 769 P CB 0.042 31.764 31.700 0.038 0.000 0.807 770 L N -2.471 118.698 121.223 -0.090 0.000 2.201 770 L HA -0.103 4.243 4.340 0.011 0.000 0.212 770 L C 1.749 178.452 176.870 -0.280 0.000 1.105 770 L CA 1.189 55.890 54.840 -0.231 0.000 0.775 770 L CB -0.808 41.038 42.059 -0.354 0.000 0.913 770 L HN -0.040 nan 8.230 nan 0.000 0.440 771 F N -0.191 119.729 119.950 -0.050 0.000 2.661 771 F HA -0.020 4.513 4.527 0.010 0.000 0.298 771 F C 1.539 177.283 175.800 -0.093 0.000 1.137 771 F CA 0.650 58.604 58.000 -0.077 0.000 1.454 771 F CB -0.118 38.823 39.000 -0.098 0.000 1.103 771 F HN -0.102 nan 8.300 nan 0.000 0.577 772 R N 0.425 120.958 120.500 0.056 0.000 2.834 772 R HA 0.297 4.643 4.340 0.011 0.000 0.362 772 R C -0.647 175.649 176.300 -0.007 0.000 1.147 772 R CA -0.267 55.838 56.100 0.008 0.000 1.125 772 R CB 0.164 30.458 30.300 -0.010 0.000 1.361 772 R HN 0.116 nan 8.270 nan 0.000 0.598 773 L N 0.891 122.101 121.223 -0.023 0.000 2.490 773 L HA -0.013 4.333 4.340 0.011 0.000 0.274 773 L C 1.543 178.405 176.870 -0.013 0.000 1.201 773 L CA 0.242 55.066 54.840 -0.026 0.000 0.869 773 L CB 0.904 42.938 42.059 -0.042 0.000 1.123 773 L HN 0.352 nan 8.230 nan 0.000 0.484 774 S N -0.765 114.932 115.700 -0.005 0.000 2.524 774 S HA 0.054 4.530 4.470 0.011 0.000 0.216 774 S C 0.654 175.262 174.600 0.014 0.000 0.987 774 S CA 0.179 58.384 58.200 0.009 0.000 0.909 774 S CB -0.039 63.167 63.200 0.010 0.000 0.781 774 S HN 0.807 nan 8.310 nan 0.000 0.521 775 T N -2.876 111.682 114.554 0.007 0.000 2.901 775 T HA 0.817 5.174 4.350 0.011 0.000 0.293 775 T C 0.974 175.680 174.700 0.010 0.000 1.084 775 T CA -0.334 61.774 62.100 0.012 0.000 1.008 775 T CB 1.460 70.337 68.868 0.014 0.000 1.170 775 T HN 0.073 nan 8.240 nan 0.000 0.509 776 A N 1.310 124.140 122.820 0.017 0.000 1.930 776 A HA -0.031 4.296 4.320 0.011 0.000 0.217 776 A C 2.156 179.765 177.584 0.041 0.000 1.175 776 A CA 1.992 54.046 52.037 0.029 0.000 0.627 776 A CB -1.410 17.609 19.000 0.032 0.000 0.815 776 A HN 0.922 nan 8.150 nan 0.000 0.443 777 N N 0.428 119.146 118.700 0.029 0.000 2.069 777 N HA -0.181 4.565 4.740 0.011 0.000 0.191 777 N C 1.165 176.689 175.510 0.022 0.000 1.031 777 N CA 2.009 55.074 53.050 0.025 0.000 0.852 777 N CB -0.278 38.218 38.487 0.016 0.000 1.018 777 N HN 0.397 nan 8.380 nan 0.000 0.423 778 D N -0.139 120.269 120.400 0.012 0.000 2.144 778 D HA -0.082 4.564 4.640 0.011 0.000 0.199 778 D C 1.952 178.251 176.300 -0.000 0.000 0.984 778 D CA 0.747 54.746 54.000 -0.001 0.000 0.834 778 D CB -0.126 40.668 40.800 -0.011 0.000 0.955 778 D HN 0.441 nan 8.370 nan 0.000 0.465 779 I N 0.730 121.309 120.570 0.015 0.000 2.286 779 I HA -0.197 3.980 4.170 0.011 0.000 0.245 779 I C 2.168 178.365 176.117 0.132 0.000 1.104 779 I CA 0.882 62.196 61.300 0.024 0.000 1.397 779 I CB -0.039 37.956 38.000 -0.009 0.000 1.072 779 I HN -0.090 nan 8.210 nan 0.000 0.417 780 K N 0.299 120.796 120.400 0.161 0.000 2.147 780 K HA -0.246 4.080 4.320 0.011 0.000 0.205 780 K C 2.093 178.728 176.600 0.059 0.000 1.049 780 K CA 1.248 57.628 56.287 0.156 0.000 0.936 780 K CB -0.138 32.406 32.500 0.073 0.000 0.722 780 K HN 0.382 nan 8.250 nan 0.000 0.446 781 Q N 0.415 120.236 119.800 0.035 0.000 2.250 781 Q HA -0.019 4.327 4.340 0.011 0.000 0.200 781 Q C 1.578 177.575 176.000 -0.006 0.000 0.941 781 Q CA 0.826 56.633 55.803 0.007 0.000 0.872 781 Q CB 0.419 29.158 28.738 0.002 0.000 0.965 781 Q HN 0.205 nan 8.270 nan 0.000 0.480 782 R N -1.084 119.402 120.500 -0.023 0.000 2.287 782 R HA 0.226 4.572 4.340 0.011 0.000 0.197 782 R C -0.073 176.154 176.300 -0.122 0.000 0.900 782 R CA -0.023 56.027 56.100 -0.083 0.000 1.052 782 R CB 1.143 31.374 30.300 -0.115 0.000 1.117 782 R HN -0.056 nan 8.270 nan 0.000 0.568 783 V N 2.489 122.355 119.914 -0.081 0.000 2.406 783 V HA 0.326 4.453 4.120 0.011 0.000 0.272 783 V C 0.011 176.015 176.094 -0.150 0.000 1.043 783 V CA -0.401 61.796 62.300 -0.172 0.000 0.915 783 V CB 1.141 32.839 31.823 -0.208 0.000 0.988 783 V HN 0.168 nan 8.190 nan 0.000 0.466 784 R N 3.594 123.887 120.500 -0.345 0.000 2.698 784 R HA 0.612 4.958 4.340 0.011 0.000 0.275 784 R C -1.959 173.925 176.300 -0.694 0.000 1.001 784 R CA -0.634 55.244 56.100 -0.369 0.000 0.896 784 R CB 1.998 32.155 30.300 -0.239 0.000 1.218 784 R HN 0.505 nan 8.270 nan 0.000 0.462 785 F N 2.125 121.949 119.950 -0.210 0.000 2.469 785 F HA 0.418 4.951 4.527 0.011 0.000 0.332 785 F C 1.116 176.736 175.800 -0.301 0.000 1.103 785 F CA -0.527 57.364 58.000 -0.181 0.000 0.979 785 F CB 1.616 40.606 39.000 -0.016 0.000 1.137 785 F HN 0.499 nan 8.300 nan 0.000 0.463 786 H N 0.642 119.846 119.070 0.224 0.000 2.755 786 H HA 0.141 4.703 4.556 0.011 0.000 0.273 786 H C -0.191 175.211 175.328 0.124 0.000 1.055 786 H CA 0.145 56.272 56.048 0.132 0.000 1.191 786 H CB 0.628 30.430 29.762 0.067 0.000 1.536 786 H HN 0.391 nan 8.280 nan 0.000 0.529 787 N N 1.911 120.746 118.700 0.226 0.000 2.851 787 N HA 0.073 4.819 4.740 0.011 0.000 0.248 787 N C -0.682 174.906 175.510 0.129 0.000 1.221 787 N CA -0.141 53.011 53.050 0.168 0.000 0.847 787 N CB 0.708 39.296 38.487 0.169 0.000 1.150 787 N HN 0.172 nan 8.380 nan 0.000 0.507 788 T N -1.254 113.366 114.554 0.110 0.000 2.804 788 T HA 0.936 5.292 4.350 0.011 0.000 0.290 788 T C 0.359 175.102 174.700 0.071 0.000 1.099 788 T CA -0.283 61.866 62.100 0.082 0.000 1.011 788 T CB 1.289 70.201 68.868 0.073 0.000 1.291 788 T HN 0.628 nan 8.240 nan 0.000 0.523 789 G N 0.716 109.551 108.800 0.058 0.000 2.631 789 G HA2 0.024 3.991 3.960 0.011 0.000 0.504 789 G HA3 0.024 3.991 3.960 0.011 0.000 0.504 789 G C -2.550 172.383 174.900 0.056 0.000 1.306 789 G CA -0.282 44.844 45.100 0.043 0.000 0.897 789 G HN 0.718 nan 8.290 nan 0.000 0.520 790 P HA 0.143 nan 4.420 nan 0.000 0.223 790 P C 1.121 178.447 177.300 0.043 0.000 1.151 790 P CA 1.642 64.769 63.100 0.045 0.000 0.787 790 P CB 0.263 31.978 31.700 0.025 0.000 0.788 791 S N -0.455 115.272 115.700 0.045 0.000 2.562 791 S HA 0.224 4.701 4.470 0.011 0.000 0.246 791 S C 0.264 174.900 174.600 0.060 0.000 1.056 791 S CA -0.541 57.687 58.200 0.047 0.000 1.042 791 S CB -0.830 62.396 63.200 0.043 0.000 0.822 791 S HN -0.005 nan 8.310 nan 0.000 0.465 792 L N -0.253 121.010 121.223 0.066 0.000 2.426 792 L HA 0.508 4.855 4.340 0.011 0.000 0.271 792 L C 0.037 176.961 176.870 0.090 0.000 1.169 792 L CA -0.548 54.342 54.840 0.083 0.000 0.836 792 L CB -0.143 41.969 42.059 0.089 0.000 1.112 792 L HN -0.098 nan 8.230 nan 0.000 0.465 793 V N 3.599 123.578 119.914 0.108 0.000 2.485 793 V HA 0.163 4.289 4.120 0.011 0.000 0.287 793 V C -1.761 174.418 176.094 0.142 0.000 1.022 793 V CA -0.848 61.526 62.300 0.125 0.000 1.067 793 V CB -0.150 31.750 31.823 0.128 0.000 0.967 793 V HN 0.780 nan 8.190 nan 0.000 0.479 794 P HA 0.232 nan 4.420 nan 0.000 0.268 794 P C 0.896 178.295 177.300 0.164 0.000 1.204 794 P CA 1.043 64.249 63.100 0.177 0.000 0.768 794 P CB 0.646 32.511 31.700 0.275 0.000 0.842 795 G N 0.914 109.809 108.800 0.159 0.000 2.143 795 G HA2 -0.157 3.809 3.960 0.011 0.000 0.248 795 G HA3 -0.157 3.809 3.960 0.011 0.000 0.248 795 G C -0.185 174.786 174.900 0.119 0.000 0.991 795 G CA -0.085 44.999 45.100 -0.026 0.000 0.689 795 G HN 0.523 nan 8.290 nan 0.000 0.522 796 V N 0.719 120.798 119.914 0.276 0.000 2.638 796 V HA 0.705 4.831 4.120 0.011 0.000 0.306 796 V C 0.154 176.444 176.094 0.327 0.000 1.052 796 V CA -0.863 61.605 62.300 0.280 0.000 0.885 796 V CB 2.150 34.082 31.823 0.180 0.000 0.999 796 V HN 0.274 nan 8.190 nan 0.000 0.424 797 I N 4.308 125.099 120.570 0.368 0.000 2.418 797 I HA 0.502 4.679 4.170 0.011 0.000 0.287 797 I C -0.913 175.435 176.117 0.385 0.000 1.008 797 I CA -0.806 60.688 61.300 0.324 0.000 1.104 797 I CB 2.203 40.350 38.000 0.244 0.000 1.264 797 I HN 0.300 nan 8.210 nan 0.000 0.438 798 V N 7.050 127.162 119.914 0.330 0.000 2.326 798 V HA 0.391 4.517 4.120 0.011 0.000 0.281 798 V C -0.095 176.211 176.094 0.353 0.000 1.015 798 V CA -0.446 62.011 62.300 0.261 0.000 0.823 798 V CB 1.477 33.398 31.823 0.162 0.000 1.009 798 V HN 0.713 nan 8.190 nan 0.000 0.436 799 M N 4.300 124.076 119.600 0.293 0.000 2.149 799 M HA 0.746 5.232 4.480 0.011 0.000 0.342 799 M C 0.182 176.502 176.300 0.033 0.000 1.068 799 M CA -0.232 55.145 55.300 0.128 0.000 0.991 799 M CB 1.287 34.039 32.600 0.254 0.000 1.596 799 M HN 0.735 nan 8.290 nan 0.000 0.439 800 G N 5.906 114.699 108.800 -0.013 0.000 2.415 800 G HA2 0.719 4.685 3.960 0.011 0.000 0.327 800 G HA3 0.719 4.685 3.960 0.011 0.000 0.327 800 G C -1.200 173.602 174.900 -0.164 0.000 1.182 800 G CA -0.658 44.507 45.100 0.109 0.000 0.924 800 G HN 0.792 nan 8.290 nan 0.000 0.470 801 I N 1.385 121.736 120.570 -0.365 0.000 2.439 801 I HA 0.298 4.474 4.170 0.011 0.000 0.285 801 I C -0.116 175.497 176.117 -0.840 0.000 1.021 801 I CA -0.606 60.402 61.300 -0.487 0.000 1.091 801 I CB 2.185 39.937 38.000 -0.412 0.000 1.242 801 I HN 0.498 nan 8.210 nan 0.000 0.439 802 E N 4.683 124.465 120.200 -0.698 0.000 2.277 802 E HA 0.316 4.673 4.350 0.011 0.000 0.274 802 E C -1.414 175.021 176.600 -0.274 0.000 1.022 802 E CA -0.367 55.646 56.400 -0.645 0.000 0.853 802 E CB 1.693 31.262 29.700 -0.220 0.000 1.086 802 E HN 0.546 nan 8.360 nan 0.000 0.397 803 D N 1.186 121.504 120.400 -0.137 0.000 2.566 803 D HA 0.419 5.066 4.640 0.011 0.000 0.254 803 D C -1.420 174.884 176.300 0.006 0.000 1.090 803 D CA -0.552 53.416 54.000 -0.054 0.000 1.034 803 D CB 1.670 42.447 40.800 -0.039 0.000 1.434 803 D HN 0.498 nan 8.370 nan 0.000 0.509 804 A N 1.655 124.477 122.820 0.003 0.000 2.537 804 A HA 0.345 4.671 4.320 0.011 0.000 0.260 804 A C 0.087 177.686 177.584 0.025 0.000 1.082 804 A CA 0.524 52.569 52.037 0.013 0.000 0.765 804 A CB -0.267 18.735 19.000 0.003 0.000 1.019 804 A HN 0.401 nan 8.150 nan 0.000 0.507 805 R N 2.137 122.658 120.500 0.036 0.000 2.803 805 R HA 0.685 5.031 4.340 0.011 0.000 0.276 805 R C 0.814 177.126 176.300 0.021 0.000 0.978 805 R CA -0.029 56.092 56.100 0.035 0.000 0.939 805 R CB 1.603 31.938 30.300 0.059 0.000 1.179 805 R HN 1.470 nan 8.270 nan 0.000 0.472 806 G N 1.453 110.260 108.800 0.011 0.000 2.633 806 G HA2 -0.312 3.655 3.960 0.011 0.000 0.263 806 G HA3 -0.312 3.655 3.960 0.011 0.000 0.263 806 G C -0.698 174.205 174.900 0.005 0.000 1.310 806 G CA -0.292 44.812 45.100 0.006 0.000 0.914 806 G HN 0.609 nan 8.290 nan 0.000 0.569 807 E N -0.371 119.831 120.200 0.004 0.000 2.222 807 E HA 0.522 4.878 4.350 0.011 0.000 0.272 807 E C 0.541 177.144 176.600 0.005 0.000 0.982 807 E CA 0.191 56.593 56.400 0.003 0.000 0.842 807 E CB 1.449 31.149 29.700 0.001 0.000 1.144 807 E HN 1.482 nan 8.360 nan 0.000 0.397 808 S N 1.606 117.308 115.700 0.004 0.000 3.791 808 S HA -0.090 4.386 4.470 0.011 0.000 0.393 808 S C -2.410 172.194 174.600 0.008 0.000 0.936 808 S CA -0.588 57.615 58.200 0.005 0.000 1.234 808 S CB -1.184 62.019 63.200 0.005 0.000 0.891 808 S HN 0.349 nan 8.310 nan 0.000 0.519 809 P HA 0.551 nan 4.420 nan 0.000 0.281 809 P C 0.595 177.901 177.300 0.009 0.000 1.249 809 P CA 0.350 63.456 63.100 0.011 0.000 0.810 809 P CB 0.594 32.300 31.700 0.010 0.000 1.008 810 E N 1.319 121.526 120.200 0.011 0.000 2.489 810 E HA 0.116 4.472 4.350 0.011 0.000 0.193 810 E C 0.560 177.164 176.600 0.005 0.000 1.057 810 E CA 0.643 57.048 56.400 0.008 0.000 0.866 810 E CB -0.479 nan 29.700 nan 0.000 0.916 810 E HN 0.483 nan 8.360 nan 0.000 0.500 811 M N -0.942 118.661 119.600 0.004 0.000 2.821 811 M HA 0.701 5.188 4.480 0.011 0.000 0.304 811 M C -0.142 176.156 176.300 -0.003 0.000 1.233 811 M CA -1.047 54.252 55.300 -0.001 0.000 0.851 811 M CB 2.430 35.027 32.600 -0.004 0.000 1.723 811 M HN 0.084 nan 8.290 nan 0.000 0.493 812 A N 1.085 123.901 122.820 -0.007 0.000 2.309 812 A HA 0.321 4.647 4.320 0.011 0.000 0.298 812 A C -0.431 177.146 177.584 -0.011 0.000 1.165 812 A CA -0.492 51.541 52.037 -0.008 0.000 0.821 812 A CB 0.535 19.530 19.000 -0.008 0.000 1.102 812 A HN 0.810 nan 8.150 nan 0.000 0.500 813 Q N 2.786 122.580 119.800 -0.010 0.000 2.283 813 Q HA 0.155 4.501 4.340 0.011 0.000 0.269 813 Q C -0.219 175.772 176.000 -0.015 0.000 1.187 813 Q CA 0.086 55.882 55.803 -0.013 0.000 0.922 813 Q CB 0.065 28.795 28.738 -0.013 0.000 1.323 813 Q HN 0.816 nan 8.270 nan 0.000 0.432 814 L N 2.381 123.593 121.223 -0.018 0.000 2.307 814 L HA 0.162 4.508 4.340 0.011 0.000 0.211 814 L C 0.704 177.567 176.870 -0.012 0.000 1.099 814 L CA 0.268 55.099 54.840 -0.016 0.000 0.816 814 L CB 0.229 42.274 42.059 -0.023 0.000 0.952 814 L HN 0.599 nan 8.230 nan 0.000 0.455 815 D N -0.645 119.747 120.400 -0.013 0.000 2.375 815 D HA 0.145 4.791 4.640 0.011 0.000 0.247 815 D C 0.745 177.014 176.300 -0.052 0.000 1.061 815 D CA -0.086 53.905 54.000 -0.015 0.000 0.834 815 D CB 2.110 42.929 40.800 0.032 0.000 1.247 815 D HN -0.034 nan 8.370 nan 0.000 0.489 816 T N 0.518 115.018 114.554 -0.089 0.000 3.081 816 T HA 0.075 4.432 4.350 0.011 0.000 0.250 816 T C 0.893 175.476 174.700 -0.196 0.000 1.100 816 T CA 0.180 62.214 62.100 -0.110 0.000 1.038 816 T CB 0.255 69.071 68.868 -0.088 0.000 0.962 816 T HN 0.163 nan 8.240 nan 0.000 0.516 817 N N 0.505 118.995 118.700 -0.350 0.000 2.482 817 N HA 0.282 5.028 4.740 0.011 0.000 0.179 817 N C -0.568 174.490 175.510 -0.753 0.000 1.039 817 N CA 0.330 52.969 53.050 -0.685 0.000 0.884 817 N CB 0.258 38.065 38.487 -1.133 0.000 1.113 817 N HN 0.400 nan 8.380 nan 0.000 0.440 818 F N -0.410 119.530 119.950 -0.017 0.000 2.577 818 F HA 0.388 4.922 4.527 0.010 0.000 0.318 818 F C 1.151 176.938 175.800 -0.022 0.000 1.065 818 F CA -1.280 56.708 58.000 -0.019 0.000 0.929 818 F CB 1.633 40.634 39.000 0.001 0.000 1.237 818 F HN -0.168 nan 8.300 nan 0.000 0.468 819 S N -0.378 115.425 115.700 0.172 0.000 2.523 819 S HA 0.338 4.814 4.470 0.011 0.000 0.217 819 S C -0.615 174.085 174.600 0.167 0.000 0.996 819 S CA -0.025 58.239 58.200 0.108 0.000 0.921 819 S CB -0.155 63.083 63.200 0.063 0.000 0.829 819 S HN 0.606 nan 8.310 nan 0.000 0.495 820 Y N -0.184 120.142 120.300 0.044 0.000 2.565 820 Y HA 0.545 5.101 4.550 0.011 0.000 0.330 820 Y C -1.873 174.111 175.900 0.140 0.000 1.150 820 Y CA -1.002 57.144 58.100 0.076 0.000 1.055 820 Y CB 1.763 40.276 38.460 0.088 0.000 1.337 820 Y HN -0.037 nan 8.280 nan 0.000 0.457 821 V N 4.914 124.935 119.914 0.178 0.000 2.623 821 V HA 0.646 4.772 4.120 0.011 0.000 0.304 821 V C -1.286 174.901 176.094 0.156 0.000 1.054 821 V CA -0.869 61.513 62.300 0.136 0.000 0.882 821 V CB 1.809 33.495 31.823 -0.228 0.000 1.002 821 V HN 0.537 nan 8.190 nan 0.000 0.424 822 V N 3.201 123.200 119.914 0.141 0.000 2.540 822 V HA 0.655 4.782 4.120 0.011 0.000 0.302 822 V C -0.053 176.029 176.094 -0.019 0.000 1.035 822 V CA -0.356 61.900 62.300 -0.073 0.000 0.873 822 V CB 2.263 33.737 31.823 -0.582 0.000 0.992 822 V HN 0.919 nan 8.190 nan 0.000 0.428 823 T N 3.784 118.311 114.554 -0.045 0.000 2.809 823 T HA 0.565 4.921 4.350 0.011 0.000 0.284 823 T C -0.551 174.038 174.700 -0.186 0.000 0.992 823 T CA -0.408 61.627 62.100 -0.108 0.000 0.957 823 T CB 1.640 70.455 68.868 -0.089 0.000 0.942 823 T HN 0.346 nan 8.240 nan 0.000 0.439 824 V N 4.328 124.112 119.914 -0.216 0.000 2.384 824 V HA 0.475 4.601 4.120 0.011 0.000 0.287 824 V C -0.891 175.067 176.094 -0.227 0.000 1.020 824 V CA -0.819 61.411 62.300 -0.117 0.000 0.850 824 V CB 0.686 32.518 31.823 0.016 0.000 0.987 824 V HN 0.813 nan 8.190 nan 0.000 0.436 825 F N 3.693 123.719 119.950 0.126 0.000 2.334 825 F HA 0.438 4.972 4.527 0.011 0.000 0.367 825 F C 0.546 176.431 175.800 0.142 0.000 1.115 825 F CA -0.430 57.652 58.000 0.137 0.000 1.116 825 F CB 0.863 39.964 39.000 0.168 0.000 1.230 825 F HN 0.413 nan 8.300 nan 0.000 0.484 826 N N 2.876 121.705 118.700 0.215 0.000 2.546 826 N HA 0.216 4.963 4.740 0.011 0.000 0.238 826 N C 0.385 175.928 175.510 0.055 0.000 0.984 826 N CA -0.395 52.724 53.050 0.115 0.000 0.935 826 N CB 1.417 39.939 38.487 0.058 0.000 1.122 826 N HN 0.407 nan 8.380 nan 0.000 0.510 827 V N 0.490 120.395 119.914 -0.015 0.000 3.647 827 V HA 0.328 4.455 4.120 0.011 0.000 0.279 827 V C 0.806 176.806 176.094 -0.157 0.000 1.314 827 V CA -0.370 61.860 62.300 -0.117 0.000 1.125 827 V CB -1.006 30.625 31.823 -0.319 0.000 0.907 827 V HN 0.472 nan 8.190 nan 0.000 0.434 828 C N 2.443 121.640 119.300 -0.173 0.000 2.662 828 C HA 0.286 4.753 4.460 0.011 0.000 0.420 828 C C -0.122 174.745 174.990 -0.206 0.000 1.314 828 C CA -0.001 58.867 59.018 -0.250 0.000 1.963 828 C CB 0.986 28.418 27.740 -0.513 0.000 2.686 828 C HN 0.419 nan 8.230 nan 0.000 0.609 829 P HA -0.074 nan 4.420 nan 0.000 0.220 829 P C -0.192 177.109 177.300 0.002 0.000 1.148 829 P CA 1.415 64.494 63.100 -0.035 0.000 0.803 829 P CB -0.055 31.658 31.700 0.022 0.000 0.782 830 H N -2.240 116.829 119.070 -0.002 0.000 2.525 830 H HA 0.468 5.031 4.556 0.011 0.000 0.340 830 H C 0.172 175.516 175.328 0.027 0.000 1.168 830 H CA -1.378 54.676 56.048 0.010 0.000 1.247 830 H CB 0.561 30.326 29.762 0.006 0.000 1.568 830 H HN -0.117 nan 8.280 nan 0.000 0.536 831 E N 1.330 121.610 120.200 0.134 0.000 2.398 831 E HA 0.285 4.641 4.350 0.011 0.000 0.263 831 E C -0.604 176.081 176.600 0.141 0.000 1.046 831 E CA -0.514 55.944 56.400 0.096 0.000 0.908 831 E CB 0.726 30.485 29.700 0.099 0.000 0.963 831 E HN 0.571 nan 8.360 nan 0.000 0.431 832 V N 0.145 120.115 119.914 0.093 0.000 3.040 832 V HA 0.647 4.774 4.120 0.011 0.000 0.312 832 V C -0.722 175.436 176.094 0.106 0.000 1.115 832 V CA -0.863 61.504 62.300 0.112 0.000 0.998 832 V CB 2.120 33.988 31.823 0.075 0.000 1.042 832 V HN 0.546 nan 8.190 nan 0.000 0.433 833 S N 5.005 120.765 115.700 0.100 0.000 2.733 833 S HA 0.654 5.130 4.470 0.011 0.000 0.307 833 S C -0.490 174.161 174.600 0.085 0.000 1.127 833 S CA -0.587 57.662 58.200 0.081 0.000 1.097 833 S CB 0.978 64.208 63.200 0.051 0.000 1.003 833 S HN 0.712 nan 8.310 nan 0.000 0.477 834 M N 3.041 122.707 119.600 0.109 0.000 2.063 834 M HA 0.341 4.827 4.480 0.011 0.000 0.348 834 M C -0.850 175.523 176.300 0.122 0.000 1.180 834 M CA -0.723 54.649 55.300 0.119 0.000 1.059 834 M CB 0.481 33.157 32.600 0.127 0.000 1.544 834 M HN 0.326 nan 8.290 nan 0.000 0.447 835 D N 4.531 124.977 120.400 0.077 0.000 2.336 835 D HA 0.364 5.010 4.640 0.011 0.000 0.249 835 D C -0.049 176.295 176.300 0.073 0.000 1.213 835 D CA 0.222 54.251 54.000 0.049 0.000 0.870 835 D CB 0.682 41.494 40.800 0.021 0.000 1.076 835 D HN 0.464 nan 8.370 nan 0.000 0.483 836 I N 4.259 124.884 120.570 0.092 0.000 2.503 836 I HA 0.168 4.345 4.170 0.011 0.000 0.277 836 I C -1.625 174.518 176.117 0.044 0.000 1.078 836 I CA -1.939 59.402 61.300 0.069 0.000 1.184 836 I CB 1.798 39.813 38.000 0.026 0.000 1.353 836 I HN 0.059 nan 8.210 nan 0.000 0.490 837 P HA -0.198 nan 4.420 nan 0.000 0.216 837 P C 1.649 178.968 177.300 0.031 0.000 1.150 837 P CA 1.092 64.208 63.100 0.027 0.000 0.837 837 P CB 0.341 32.059 31.700 0.031 0.000 0.786 838 A N -0.711 122.131 122.820 0.036 0.000 2.024 838 A HA -0.123 4.203 4.320 0.011 0.000 0.220 838 A C 1.694 179.279 177.584 0.001 0.000 1.164 838 A CA 1.296 53.355 52.037 0.037 0.000 0.643 838 A CB -1.377 17.678 19.000 0.090 0.000 0.806 838 A HN 0.202 nan 8.150 nan 0.000 0.451 839 L N -0.413 120.807 121.223 -0.005 0.000 2.984 839 L HA 0.398 4.745 4.340 0.011 0.000 0.246 839 L C 0.636 177.618 176.870 0.187 0.000 1.268 839 L CA -0.392 54.484 54.840 0.060 0.000 1.054 839 L CB -0.013 42.059 42.059 0.023 0.000 1.393 839 L HN 0.313 nan 8.230 nan 0.000 0.532 840 A N -0.979 121.901 122.820 0.100 0.000 2.302 840 A HA 0.548 4.874 4.320 0.011 0.000 0.285 840 A C 1.024 178.661 177.584 0.088 0.000 1.105 840 A CA -0.096 51.989 52.037 0.080 0.000 0.816 840 A CB 0.578 19.585 19.000 0.011 0.000 1.067 840 A HN 0.286 nan 8.150 nan 0.000 0.489 841 S N -0.700 115.048 115.700 0.080 0.000 3.706 841 S HA -0.141 4.336 4.470 0.011 0.000 0.363 841 S C -0.073 174.569 174.600 0.070 0.000 0.999 841 S CA 1.574 59.809 58.200 0.058 0.000 1.143 841 S CB -1.864 61.347 63.200 0.020 0.000 0.902 841 S HN 0.695 nan 8.310 nan 0.000 0.476 842 M N -0.290 119.400 119.600 0.149 0.000 2.727 842 M HA 0.584 5.071 4.480 0.011 0.000 0.300 842 M C 0.884 177.172 176.300 -0.019 0.000 1.246 842 M CA -0.561 54.733 55.300 -0.010 0.000 0.835 842 M CB 1.710 34.225 32.600 -0.142 0.000 1.755 842 M HN 0.198 nan 8.290 nan 0.000 0.473 843 G N 1.052 109.717 108.800 -0.225 0.000 3.860 843 G HA2 0.478 4.445 3.960 0.011 0.000 0.269 843 G HA3 0.478 4.445 3.960 0.011 0.000 0.269 843 G C -1.024 173.719 174.900 -0.262 0.000 1.112 843 G CA -0.165 44.849 45.100 -0.145 0.000 1.674 843 G HN 0.342 nan 8.290 nan 0.000 0.628 844 F N 0.939 120.718 119.950 -0.286 0.000 2.427 844 F HA 0.367 4.900 4.527 0.011 0.000 0.352 844 F C 0.873 176.649 175.800 -0.039 0.000 1.100 844 F CA -0.287 57.514 58.000 -0.331 0.000 1.191 844 F CB 1.253 39.712 39.000 -0.902 0.000 1.128 844 F HN 0.281 nan 8.300 nan 0.000 0.533 845 E N 2.553 122.925 120.200 0.287 0.000 2.312 845 E HA 0.387 4.743 4.350 0.011 0.000 0.267 845 E C -1.360 175.377 176.600 0.228 0.000 0.894 845 E CA -1.453 55.097 56.400 0.250 0.000 0.773 845 E CB 2.547 32.324 29.700 0.129 0.000 1.241 845 E HN 0.329 nan 8.360 nan 0.000 0.432 846 L N 2.830 124.125 121.223 0.120 0.000 2.525 846 L HA -0.016 4.331 4.340 0.011 0.000 0.278 846 L C 0.213 177.042 176.870 -0.068 0.000 1.218 846 L CA 0.354 55.107 54.840 -0.145 0.000 0.878 846 L CB 0.030 42.021 42.059 -0.113 0.000 1.127 846 L HN 0.561 nan 8.230 nan 0.000 0.492 847 H N 6.871 125.821 119.070 -0.200 0.000 3.034 847 H HA 0.014 4.576 4.556 0.011 0.000 0.324 847 H C -1.778 173.517 175.328 -0.054 0.000 1.015 847 H CA -0.851 55.123 56.048 -0.123 0.000 1.429 847 H CB 1.019 30.695 29.762 -0.143 0.000 1.429 847 H HN 0.535 nan 8.280 nan 0.000 0.585 848 P HA -0.197 nan 4.420 nan 0.000 0.217 848 P C 1.678 179.071 177.300 0.154 0.000 1.151 848 P CA 0.917 64.039 63.100 0.037 0.000 0.849 848 P CB 0.286 31.982 31.700 -0.006 0.000 0.787 849 V N -0.640 119.503 119.914 0.382 0.000 2.515 849 V HA -0.220 3.906 4.120 0.011 0.000 0.250 849 V C 2.366 178.505 176.094 0.075 0.000 1.058 849 V CA 1.745 64.163 62.300 0.197 0.000 1.064 849 V CB -1.074 30.821 31.823 0.120 0.000 0.675 849 V HN 0.204 nan 8.190 nan 0.000 0.461 850 Q N -0.836 119.005 119.800 0.068 0.000 2.331 850 Q HA -0.037 4.309 4.340 0.011 0.000 0.203 850 Q C 2.249 178.245 176.000 -0.006 0.000 0.944 850 Q CA 0.835 56.631 55.803 -0.011 0.000 0.892 850 Q CB 0.138 28.837 28.738 -0.065 0.000 0.983 850 Q HN 0.541 nan 8.270 nan 0.000 0.482 851 V N 1.789 121.713 119.914 0.017 0.000 2.515 851 V HA -0.179 3.948 4.120 0.011 0.000 0.250 851 V C 1.045 177.147 176.094 0.012 0.000 1.058 851 V CA 1.344 63.651 62.300 0.012 0.000 1.064 851 V CB -0.241 31.595 31.823 0.022 0.000 0.675 851 V HN 0.388 nan 8.190 nan 0.000 0.461 852 N N -0.269 118.443 118.700 0.019 0.000 2.268 852 N HA 0.098 4.844 4.740 0.011 0.000 0.204 852 N C 0.664 176.174 175.510 -0.001 0.000 1.124 852 N CA 0.138 53.195 53.050 0.012 0.000 0.838 852 N CB 0.430 38.930 38.487 0.021 0.000 0.994 852 N HN 0.357 nan 8.380 nan 0.000 0.489 853 S N -0.351 115.344 115.700 -0.009 0.000 2.579 853 S HA 0.135 4.612 4.470 0.011 0.000 0.275 853 S C 1.302 175.884 174.600 -0.030 0.000 1.345 853 S CA -0.278 57.907 58.200 -0.027 0.000 1.031 853 S CB 0.681 63.858 63.200 -0.039 0.000 0.892 853 S HN 0.200 nan 8.310 nan 0.000 0.529 854 S N 1.559 117.234 115.700 -0.041 0.000 2.496 854 S HA 0.038 4.515 4.470 0.011 0.000 0.224 854 S C 0.239 174.810 174.600 -0.048 0.000 0.996 854 S CA 0.068 58.243 58.200 -0.042 0.000 0.927 854 S CB -0.212 62.959 63.200 -0.048 0.000 0.774 854 S HN 0.837 nan 8.310 nan 0.000 0.524 855 D N 2.227 122.592 120.400 -0.058 0.000 2.338 855 D HA 0.106 4.753 4.640 0.011 0.000 0.255 855 D C 1.385 177.663 176.300 -0.037 0.000 1.237 855 D CA 0.143 54.109 54.000 -0.057 0.000 0.883 855 D CB 1.061 41.811 40.800 -0.082 0.000 1.087 855 D HN 0.182 nan 8.370 nan 0.000 0.485 856 T N 1.624 116.162 114.554 -0.027 0.000 2.962 856 T HA -0.188 4.169 4.350 0.011 0.000 0.270 856 T C 1.762 176.457 174.700 -0.008 0.000 1.088 856 T CA 0.363 62.454 62.100 -0.015 0.000 1.127 856 T CB -0.124 68.737 68.868 -0.012 0.000 0.883 856 T HN 0.316 nan 8.240 nan 0.000 0.493 857 L N 1.106 122.323 121.223 -0.010 0.000 2.023 857 L HA 0.217 4.563 4.340 0.011 0.000 0.205 857 L C 2.719 179.592 176.870 0.005 0.000 1.073 857 L CA 1.350 56.191 54.840 0.002 0.000 0.745 857 L CB -1.022 41.038 42.059 0.002 0.000 0.900 857 L HN 0.214 nan 8.230 nan 0.000 0.435 858 V N -0.087 119.822 119.914 -0.008 0.000 2.594 858 V HA -0.265 3.861 4.120 0.011 0.000 0.253 858 V C 2.592 178.677 176.094 -0.016 0.000 1.069 858 V CA 1.636 63.928 62.300 -0.013 0.000 1.082 858 V CB -0.519 31.284 31.823 -0.033 0.000 0.680 858 V HN 0.556 nan 8.190 nan 0.000 0.469 859 R N -0.046 120.448 120.500 -0.010 0.000 2.237 859 R HA -0.048 4.299 4.340 0.011 0.000 0.219 859 R C 1.883 178.195 176.300 0.020 0.000 1.080 859 R CA 1.003 57.102 56.100 -0.002 0.000 0.995 859 R CB -0.226 30.074 30.300 -0.000 0.000 0.875 859 R HN 0.470 nan 8.270 nan 0.000 0.462 860 K N 0.403 120.821 120.400 0.030 0.000 2.458 860 K HA 0.130 4.456 4.320 0.011 0.000 0.194 860 K C -0.121 176.531 176.600 0.086 0.000 1.024 860 K CA -0.076 56.241 56.287 0.051 0.000 1.108 860 K CB 0.698 33.224 32.500 0.043 0.000 0.846 860 K HN -0.027 nan 8.250 nan 0.000 0.518 861 S N 1.348 117.104 115.700 0.094 0.000 2.549 861 S HA 0.378 4.854 4.470 0.011 0.000 0.279 861 S C -0.066 174.703 174.600 0.282 0.000 1.321 861 S CA -0.627 57.690 58.200 0.194 0.000 1.054 861 S CB 1.208 64.474 63.200 0.111 0.000 0.899 861 S HN 0.346 nan 8.310 nan 0.000 0.497 862 A N 2.207 125.258 122.820 0.386 0.000 2.566 862 A HA 0.767 5.094 4.320 0.011 0.000 0.292 862 A C -1.727 176.028 177.584 0.285 0.000 1.112 862 A CA -0.679 51.552 52.037 0.324 0.000 0.707 862 A CB 1.268 20.356 19.000 0.147 0.000 1.302 862 A HN 0.806 nan 8.150 nan 0.000 0.409 863 Y N 0.612 120.917 120.300 0.010 0.000 2.386 863 Y HA 0.594 5.150 4.550 0.011 0.000 0.334 863 Y C -0.621 175.132 175.900 -0.244 0.000 1.002 863 Y CA -0.461 57.436 58.100 -0.339 0.000 1.068 863 Y CB 1.651 39.861 38.460 -0.417 0.000 1.203 863 Y HN 0.688 nan 8.280 nan 0.000 0.443 864 E N 5.017 124.615 120.200 -1.003 0.000 2.113 864 E HA 0.471 4.827 4.350 0.011 0.000 0.273 864 E C -0.212 175.742 176.600 -1.076 0.000 0.924 864 E CA 0.203 56.145 56.400 -0.765 0.000 0.764 864 E CB 1.914 31.363 29.700 -0.419 0.000 1.104 864 E HN 1.001 nan 8.360 nan 0.000 0.406 865 A N 4.652 127.031 122.820 -0.734 0.000 1.858 865 A HA -0.142 4.184 4.320 0.011 0.000 0.216 865 A C 2.058 179.483 177.584 -0.266 0.000 1.190 865 A CA 1.805 53.576 52.037 -0.443 0.000 0.617 865 A CB -0.628 18.318 19.000 -0.090 0.000 0.827 865 A HN 0.703 nan 8.150 nan 0.000 0.443 866 A N -0.739 121.959 122.820 -0.204 0.000 2.032 866 A HA -0.121 4.205 4.320 0.011 0.000 0.221 866 A C 2.180 179.689 177.584 -0.125 0.000 1.165 866 A CA 2.650 54.611 52.037 -0.127 0.000 0.645 866 A CB -0.906 18.033 19.000 -0.102 0.000 0.807 866 A HN 0.963 nan 8.150 nan 0.000 0.453 867 T N -6.053 108.390 114.554 -0.185 0.000 3.043 867 T HA 0.430 4.787 4.350 0.011 0.000 0.272 867 T C 1.164 175.764 174.700 -0.166 0.000 0.990 867 T CA 1.050 63.064 62.100 -0.144 0.000 0.897 867 T CB 0.088 68.880 68.868 -0.128 0.000 1.111 867 T HN 1.786 nan 8.240 nan 0.000 0.529 868 G N 2.350 110.979 108.800 -0.286 0.000 2.273 868 G HA2 -0.295 3.671 3.960 0.011 0.000 0.280 868 G HA3 -0.295 3.671 3.960 0.011 0.000 0.280 868 G C -0.084 174.604 174.900 -0.355 0.000 1.047 868 G CA 0.203 45.141 45.100 -0.270 0.000 0.869 868 G HN 0.854 nan 8.290 nan 0.000 0.502 869 R N -0.540 119.654 120.500 -0.511 0.000 2.265 869 R HA 0.570 4.917 4.340 0.011 0.000 0.314 869 R C -0.701 175.301 176.300 -0.498 0.000 1.053 869 R CA -0.639 55.263 56.100 -0.330 0.000 0.931 869 R CB 0.201 30.365 30.300 -0.227 0.000 1.024 869 R HN 0.039 nan 8.270 nan 0.000 0.457 870 F N 2.446 122.299 119.950 -0.162 0.000 2.361 870 F HA 0.255 4.788 4.527 0.011 0.000 0.364 870 F C 0.227 175.982 175.800 -0.075 0.000 1.117 870 F CA -0.473 57.394 58.000 -0.223 0.000 1.071 870 F CB 2.175 40.929 39.000 -0.411 0.000 1.188 870 F HN 0.330 nan 8.300 nan 0.000 0.464 871 T N 3.959 118.589 114.554 0.127 0.000 2.733 871 T HA 0.558 4.914 4.350 0.011 0.000 0.294 871 T C -0.344 174.487 174.700 0.218 0.000 0.956 871 T CA -0.486 61.700 62.100 0.142 0.000 0.987 871 T CB 0.876 69.798 68.868 0.090 0.000 0.920 871 T HN 0.233 nan 8.240 nan 0.000 0.470 872 V N 6.843 126.866 119.914 0.181 0.000 2.588 872 V HA 0.399 4.526 4.120 0.011 0.000 0.304 872 V C -2.290 173.867 176.094 0.105 0.000 1.042 872 V CA -2.335 60.069 62.300 0.174 0.000 0.877 872 V CB 2.042 33.974 31.823 0.183 0.000 0.996 872 V HN 0.613 nan 8.190 nan 0.000 0.425 873 P HA 0.191 nan 4.420 nan 0.000 0.271 873 P C 0.262 177.581 177.300 0.032 0.000 1.244 873 P CA 0.121 63.255 63.100 0.057 0.000 0.793 873 P CB 0.482 32.211 31.700 0.048 0.000 0.984 874 G N 0.291 109.099 108.800 0.013 0.000 2.527 874 G HA2 0.150 4.116 3.960 0.011 0.000 0.248 874 G HA3 0.150 4.116 3.960 0.011 0.000 0.248 874 G C -0.362 174.537 174.900 -0.002 0.000 1.231 874 G CA -0.586 44.500 45.100 -0.023 0.000 0.838 874 G HN 0.527 nan 8.290 nan 0.000 0.570 875 R N -0.658 119.836 120.500 -0.011 0.000 3.322 875 R HA -0.158 4.188 4.340 0.011 0.000 0.253 875 R C -0.499 175.836 176.300 0.058 0.000 0.987 875 R CA 0.974 57.084 56.100 0.017 0.000 0.666 875 R CB -2.523 27.780 30.300 0.005 0.000 1.072 875 R HN 0.485 nan 8.270 nan 0.000 0.447 876 T N -0.422 114.173 114.554 0.069 0.000 2.952 876 T HA 0.398 4.754 4.350 0.011 0.000 0.305 876 T C -0.824 173.924 174.700 0.079 0.000 1.064 876 T CA -0.634 61.515 62.100 0.081 0.000 1.008 876 T CB 2.735 71.635 68.868 0.053 0.000 1.078 876 T HN 0.109 nan 8.240 nan 0.000 0.459 877 V N 2.934 122.889 119.914 0.069 0.000 2.370 877 V HA 0.723 4.849 4.120 0.011 0.000 0.283 877 V C -0.731 175.296 176.094 -0.111 0.000 1.023 877 V CA -0.094 62.168 62.300 -0.064 0.000 0.857 877 V CB 1.230 33.004 31.823 -0.081 0.000 0.985 877 V HN 0.938 nan 8.190 nan 0.000 0.443 878 S N 5.470 121.082 115.700 -0.146 0.000 2.478 878 S HA 0.656 5.132 4.470 0.011 0.000 0.312 878 S C -0.630 173.830 174.600 -0.233 0.000 1.094 878 S CA -0.511 57.585 58.200 -0.173 0.000 1.081 878 S CB 1.745 64.915 63.200 -0.050 0.000 1.007 878 S HN 0.662 nan 8.310 nan 0.000 0.475 879 V N 4.385 124.103 119.914 -0.328 0.000 2.398 879 V HA 0.535 4.661 4.120 0.011 0.000 0.286 879 V C -1.012 174.905 176.094 -0.294 0.000 1.026 879 V CA -0.469 61.719 62.300 -0.187 0.000 0.868 879 V CB 0.491 32.248 31.823 -0.111 0.000 0.982 879 V HN 0.757 nan 8.190 nan 0.000 0.443 880 F N 4.136 124.100 119.950 0.023 0.000 2.508 880 F HA 0.795 5.328 4.527 0.010 0.000 0.325 880 F C 0.143 176.042 175.800 0.164 0.000 1.090 880 F CA -0.827 57.231 58.000 0.096 0.000 0.945 880 F CB 2.130 41.177 39.000 0.078 0.000 1.156 880 F HN 0.399 nan 8.300 nan 0.000 0.463 881 V N -0.775 119.336 119.914 0.328 0.000 3.040 881 V HA 0.642 4.769 4.120 0.011 0.000 0.312 881 V C -1.125 175.037 176.094 0.114 0.000 1.115 881 V CA -0.892 61.464 62.300 0.094 0.000 0.998 881 V CB 1.962 33.395 31.823 -0.650 0.000 1.042 881 V HN 0.849 nan 8.190 nan 0.000 0.433 882 E N 2.997 123.182 120.200 -0.024 0.000 2.149 882 E HA 0.519 4.875 4.350 0.011 0.000 0.255 882 E C -2.768 173.879 176.600 0.079 0.000 0.888 882 E CA -2.266 54.012 56.400 -0.203 0.000 0.742 882 E CB 1.988 31.343 29.700 -0.575 0.000 1.164 882 E HN 0.637 nan 8.360 nan 0.000 0.422 883 P HA 0.018 nan 4.420 nan 0.000 0.267 883 P C 0.050 177.366 177.300 0.026 0.000 1.200 883 P CA 0.085 63.267 63.100 0.136 0.000 0.772 883 P CB 0.744 32.493 31.700 0.081 0.000 0.855 884 R N 1.873 122.361 120.500 -0.019 0.000 2.112 884 R HA 0.077 4.424 4.340 0.011 0.000 0.216 884 R C 1.536 177.813 176.300 -0.039 0.000 1.080 884 R CA 0.619 56.697 56.100 -0.037 0.000 0.996 884 R CB -0.849 29.416 30.300 -0.059 0.000 0.902 884 R HN 0.614 nan 8.270 nan 0.000 0.449 885 C N 0.000 119.271 119.300 -0.049 0.000 2.653 885 C HA 0.000 4.466 4.460 0.011 0.000 0.325 885 C CA 0.000 58.995 59.018 -0.039 0.000 1.963 885 C CB 0.000 27.714 27.740 -0.043 0.000 2.134 885 C HN 0.000 nan 8.230 nan 0.000 0.568