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 3lfi_1_B DATA FIRST_RESID 20 DATA SEQUENCE SYHLDTTAPP PTNLSTLPNN TLFHLWRPRA HILPAEGQIG DPCAHYTDPS DATA SEQUENCE TGLFHVGFLH DGDGIAGATT ANLATYTDTS DNGSFLIQPG GKNDPVAVFD DATA SEQUENCE GAVIPVGVNN TPTLLYTSVS FLPIHWSIPY TRGSETQSLA VARDGGRRFD DATA SEQUENCE KLDQGPVIAD HPFAVDVTAF RDPFVFRSAR LDVLLSLDEE VARNETAVQQ DATA SEQUENCE AVDGWTEKNA PWYVAVSGGV HGVGPAQFLY RQNGGNASEF QYWEYLGEWW DATA SEQUENCE QEATNSSWGD EGTWAGRWGF NFETGNVLFL TEEGHDPQTG EVFVTLGTEG DATA SEQUENCE SGLPIVPQVS SIHDMLWAAG EVGVGSEQEG AKVEFSPSMA GFLDWGFSAY DATA SEQUENCE AAAGKVLPAS SAVSKTSGVE VDRYVSFVWL TGDQYEQADG FPTAQQGWTG DATA SEQUENCE SLLLPRELKV QTVENVVDNE LVREEGVSWV VGESDNQTAT LRTLGITIAR DATA SEQUENCE ETKAALLANG SVTAEEDRTL QTAAVVPFAQ SPSSKFFVLT AQLEFPASAR DATA SEQUENCE SSPLQSGFEI LASELERTAI YYQFSNESLV VDRSQTSAAA PTNPGLDSFT DATA SEQUENCE ESGKLRLFDV IENGQEQVET LDLTVVVDNA VVEVYANGRF ALSTWARSWY DATA SEQUENCE DNSTQIRFFH NGEGEVQFRN VSVSEGLYNA WPER VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 20 S HA 0.000 nan 4.470 nan 0.000 0.327 20 S C 0.000 174.738 174.600 0.229 0.000 1.055 20 S CA 0.000 58.274 58.200 0.123 0.000 1.107 20 S CB 0.000 63.251 63.200 0.085 0.000 0.593 21 Y N 5.878 126.220 120.300 0.070 0.000 2.299 21 Y HA 0.371 4.921 4.550 0.000 0.000 0.318 21 Y C -1.058 174.922 175.900 0.133 0.000 1.205 21 Y CA -0.710 57.452 58.100 0.103 0.000 1.106 21 Y CB 0.841 39.338 38.460 0.061 0.000 1.246 21 Y HN 0.871 nan 8.280 nan 0.000 0.415 22 H N 6.339 125.117 119.070 -0.486 0.000 2.562 22 H HA 0.354 4.910 4.556 0.000 0.000 0.314 22 H C -0.934 173.898 175.328 -0.827 0.000 1.079 22 H CA -0.983 54.787 56.048 -0.463 0.000 1.349 22 H CB 1.811 31.438 29.762 -0.225 0.000 1.432 22 H HN 0.769 nan 8.280 nan 0.000 0.479 23 L N 4.365 125.111 121.223 -0.795 0.000 2.678 23 L HA 0.048 4.388 4.340 0.000 0.000 0.276 23 L C -0.087 176.382 176.870 -0.669 0.000 1.142 23 L CA 0.542 54.971 54.840 -0.684 0.000 0.961 23 L CB -0.427 41.422 42.059 -0.349 0.000 1.291 23 L HN 0.655 nan 8.230 nan 0.000 0.476 24 D N 3.143 123.176 120.400 -0.611 0.000 2.485 24 D HA 0.126 4.766 4.640 0.000 0.000 0.229 24 D C 0.618 176.852 176.300 -0.110 0.000 1.101 24 D CA -0.085 53.695 54.000 -0.366 0.000 0.906 24 D CB 0.958 41.598 40.800 -0.267 0.000 1.019 24 D HN 0.661 nan 8.370 nan 0.000 0.516 25 T N -0.394 114.001 114.554 -0.264 0.000 3.380 25 T HA -0.011 4.339 4.350 0.000 0.000 0.250 25 T C 1.356 176.016 174.700 -0.065 0.000 1.082 25 T CA 0.227 62.073 62.100 -0.424 0.000 0.968 25 T CB -0.328 68.133 68.868 -0.679 0.000 1.027 25 T HN 0.330 nan 8.240 nan 0.000 0.575 26 T N -2.592 112.032 114.554 0.116 0.000 3.003 26 T HA 0.646 4.996 4.350 0.000 0.000 0.261 26 T C 0.682 175.616 174.700 0.390 0.000 1.003 26 T CA -0.005 62.254 62.100 0.265 0.000 0.917 26 T CB 0.231 69.188 68.868 0.148 0.000 1.084 26 T HN 0.491 nan 8.240 nan 0.000 0.522 27 A N 1.948 124.980 122.820 0.354 0.000 2.322 27 A HA 0.847 5.167 4.320 0.000 0.000 0.327 27 A C -2.916 174.896 177.584 0.380 0.000 1.134 27 A CA -2.273 49.977 52.037 0.354 0.000 0.831 27 A CB 0.672 19.820 19.000 0.247 0.000 1.288 27 A HN 0.169 nan 8.150 nan 0.000 0.472 28 P HA 0.191 nan 4.420 nan 0.000 0.269 28 P C -2.407 174.767 177.300 -0.210 0.000 1.209 28 P CA -0.541 62.586 63.100 0.045 0.000 0.776 28 P CB 0.002 31.741 31.700 0.065 0.000 0.876 29 P HA 0.190 nan 4.420 nan 0.000 0.274 29 P C -2.386 174.569 177.300 -0.575 0.000 1.231 29 P CA -1.442 60.977 63.100 -1.134 0.000 0.790 29 P CB -0.552 29.903 31.700 -2.075 0.000 0.951 30 P HA 0.010 nan 4.420 nan 0.000 0.272 30 P C 1.157 178.257 177.300 -0.334 0.000 1.240 30 P CA -0.002 62.864 63.100 -0.391 0.000 0.791 30 P CB 0.209 31.601 31.700 -0.514 0.000 0.978 31 T N -1.886 112.522 114.554 -0.243 0.000 2.708 31 T HA -0.148 4.202 4.350 0.000 0.000 0.266 31 T C 0.927 175.514 174.700 -0.188 0.000 1.037 31 T CA 1.063 63.046 62.100 -0.195 0.000 1.146 31 T CB -0.640 68.144 68.868 -0.141 0.000 0.865 31 T HN 0.411 nan 8.240 nan 0.000 0.435 32 N N 0.770 119.362 118.700 -0.180 0.000 2.518 32 N HA 0.347 5.087 4.740 0.000 0.000 0.254 32 N C 0.597 176.007 175.510 -0.167 0.000 0.979 32 N CA -0.564 52.393 53.050 -0.155 0.000 0.930 32 N CB 0.775 39.190 38.487 -0.119 0.000 1.152 32 N HN 0.243 nan 8.380 nan 0.000 0.505 33 L N 1.238 122.360 121.223 -0.168 0.000 2.191 33 L HA -0.074 4.266 4.340 0.000 0.000 0.212 33 L C 1.601 178.403 176.870 -0.115 0.000 1.103 33 L CA 0.774 55.531 54.840 -0.138 0.000 0.769 33 L CB -0.126 41.859 42.059 -0.123 0.000 0.908 33 L HN 0.441 nan 8.230 nan 0.000 0.438 34 S N -0.953 114.673 115.700 -0.123 0.000 2.603 34 S HA -0.085 4.385 4.470 0.000 0.000 0.229 34 S C 1.809 176.369 174.600 -0.066 0.000 0.972 34 S CA 1.311 59.453 58.200 -0.096 0.000 0.935 34 S CB -0.271 62.874 63.200 -0.092 0.000 0.769 34 S HN 0.616 nan 8.310 nan 0.000 0.536 35 T N -0.905 113.604 114.554 -0.074 0.000 3.086 35 T HA 0.307 4.657 4.350 0.000 0.000 0.250 35 T C 0.391 175.070 174.700 -0.035 0.000 1.074 35 T CA -0.254 61.812 62.100 -0.057 0.000 0.988 35 T CB -0.157 68.665 68.868 -0.077 0.000 0.988 35 T HN -0.039 nan 8.240 nan 0.000 0.530 36 L N 2.184 123.394 121.223 -0.022 0.000 2.453 36 L HA 0.482 4.822 4.340 0.000 0.000 0.261 36 L C -2.145 174.756 176.870 0.052 0.000 1.179 36 L CA -2.196 52.671 54.840 0.044 0.000 0.813 36 L CB 0.075 42.192 42.059 0.096 0.000 1.110 36 L HN -0.019 nan 8.230 nan 0.000 0.466 37 P HA 0.103 nan 4.420 nan 0.000 0.272 37 P C -0.904 176.430 177.300 0.057 0.000 1.230 37 P CA -0.465 62.672 63.100 0.061 0.000 0.788 37 P CB 0.350 32.092 31.700 0.070 0.000 0.949 38 N N 1.765 120.495 118.700 0.050 0.000 2.395 38 N HA -0.040 4.700 4.740 0.000 0.000 0.246 38 N C 0.549 176.104 175.510 0.074 0.000 1.246 38 N CA 0.619 53.705 53.050 0.059 0.000 0.879 38 N CB -0.796 37.724 38.487 0.055 0.000 1.098 38 N HN 0.485 nan 8.380 nan 0.000 0.444 39 N N -1.983 116.782 118.700 0.109 0.000 2.900 39 N HA -0.257 4.483 4.740 0.000 0.000 0.240 39 N C 0.591 176.182 175.510 0.134 0.000 0.953 39 N CA 1.145 54.290 53.050 0.158 0.000 0.950 39 N CB -1.117 37.421 38.487 0.085 0.000 1.102 39 N HN 0.746 nan 8.380 nan 0.000 0.593 40 T N -1.554 113.053 114.554 0.089 0.000 2.962 40 T HA 0.004 4.354 4.350 0.000 0.000 0.270 40 T C 1.180 175.899 174.700 0.031 0.000 1.088 40 T CA 0.792 62.931 62.100 0.064 0.000 1.127 40 T CB -0.002 68.913 68.868 0.077 0.000 0.883 40 T HN 0.330 nan 8.240 nan 0.000 0.493 41 L N -0.456 120.773 121.223 0.010 0.000 2.741 41 L HA 0.426 4.766 4.340 0.000 0.000 0.237 41 L C 1.564 178.395 176.870 -0.064 0.000 1.178 41 L CA -0.377 54.383 54.840 -0.132 0.000 0.973 41 L CB -0.485 41.436 42.059 -0.229 0.000 1.255 41 L HN 0.084 nan 8.230 nan 0.000 0.498 42 F N 1.085 121.012 119.950 -0.039 0.000 2.120 42 F HA -0.278 4.250 4.527 0.000 0.000 0.300 42 F C 2.157 177.955 175.800 -0.003 0.000 1.095 42 F CA 2.088 60.106 58.000 0.031 0.000 1.249 42 F CB 0.072 38.959 39.000 -0.188 0.000 0.995 42 F HN 0.262 nan 8.300 nan 0.000 0.480 43 H N -1.933 117.289 119.070 0.253 0.000 2.592 43 H HA 0.066 4.622 4.556 0.000 0.000 0.265 43 H C 1.739 177.071 175.328 0.005 0.000 0.955 43 H CA 0.419 56.546 56.048 0.131 0.000 1.175 43 H CB 0.049 29.887 29.762 0.128 0.000 1.433 43 H HN 0.182 nan 8.280 nan 0.000 0.537 44 L N 0.649 121.802 121.223 -0.115 0.000 2.010 44 L HA -0.211 4.129 4.340 0.000 0.000 0.219 44 L C 0.685 177.447 176.870 -0.180 0.000 1.077 44 L CA 1.917 56.508 54.840 -0.415 0.000 0.773 44 L CB -0.276 41.157 42.059 -1.043 0.000 0.892 44 L HN 0.530 nan 8.230 nan 0.000 0.436 45 W N -1.667 119.787 121.300 0.258 0.000 2.190 45 W HA 0.436 5.096 4.660 0.000 0.000 0.337 45 W C 0.602 177.382 176.519 0.436 0.000 0.911 45 W CA -1.116 56.394 57.345 0.276 0.000 1.925 45 W CB -1.105 28.487 29.460 0.220 0.000 1.134 45 W HN -0.187 nan 8.180 nan 0.000 0.536 46 R N 4.055 124.857 120.500 0.503 0.000 2.389 46 R HA 0.238 4.578 4.340 0.000 0.000 0.295 46 R C -2.046 174.324 176.300 0.117 0.000 1.075 46 R CA -1.318 54.755 56.100 -0.045 0.000 1.005 46 R CB 0.891 30.765 30.300 -0.709 0.000 0.987 46 R HN -0.145 nan 8.270 nan 0.000 0.452 47 P HA 0.120 nan 4.420 nan 0.000 0.276 47 P C -0.943 176.435 177.300 0.131 0.000 1.252 47 P CA -0.223 62.978 63.100 0.167 0.000 0.802 47 P CB 1.009 32.716 31.700 0.012 0.000 1.035 48 R N 0.322 120.913 120.500 0.151 0.000 2.369 48 R HA 0.423 4.763 4.340 0.000 0.000 0.210 48 R C 1.260 177.526 176.300 -0.057 0.000 0.881 48 R CA 0.204 56.299 56.100 -0.007 0.000 1.031 48 R CB -0.304 29.853 30.300 -0.238 0.000 1.184 48 R HN 0.311 nan 8.270 nan 0.000 0.581 49 A N 0.646 123.447 122.820 -0.031 0.000 2.500 49 A HA 0.326 4.646 4.320 0.000 0.000 0.267 49 A C -0.823 176.733 177.584 -0.047 0.000 1.290 49 A CA -0.399 51.474 52.037 -0.273 0.000 0.928 49 A CB -0.240 18.551 19.000 -0.348 0.000 1.066 49 A HN 0.278 nan 8.150 nan 0.000 0.516 50 H N -1.276 117.819 119.070 0.041 0.000 2.651 50 H HA 0.587 5.143 4.556 0.000 0.000 0.353 50 H C -0.397 175.056 175.328 0.209 0.000 1.178 50 H CA -0.627 55.477 56.048 0.094 0.000 1.224 50 H CB 1.257 31.051 29.762 0.053 0.000 1.702 50 H HN 0.178 nan 8.280 nan 0.000 0.550 51 I N 3.846 124.552 120.570 0.226 0.000 2.337 51 I HA 0.176 4.346 4.170 0.000 0.000 0.291 51 I C -1.077 175.051 176.117 0.018 0.000 1.046 51 I CA -0.308 61.101 61.300 0.181 0.000 1.324 51 I CB -0.090 37.863 38.000 -0.079 0.000 1.409 51 I HN 0.201 nan 8.210 nan 0.000 0.494 52 L N 6.507 127.666 121.223 -0.108 0.000 2.710 52 L HA 0.681 5.021 4.340 0.000 0.000 0.260 52 L C -2.991 173.520 176.870 -0.598 0.000 0.993 52 L CA -2.325 52.265 54.840 -0.417 0.000 0.877 52 L CB 0.443 42.347 42.059 -0.258 0.000 1.461 52 L HN 0.158 nan 8.230 nan 0.000 0.413 53 P HA 0.153 nan 4.420 nan 0.000 0.273 53 P C 0.554 177.609 177.300 -0.409 0.000 1.250 53 P CA 0.257 63.087 63.100 -0.449 0.000 0.793 53 P CB 0.691 32.072 31.700 -0.532 0.000 1.011 54 A N 0.546 123.168 122.820 -0.331 0.000 2.024 54 A HA -0.130 4.190 4.320 0.000 0.000 0.220 54 A C 1.038 178.638 177.584 0.027 0.000 1.164 54 A CA 1.592 53.513 52.037 -0.194 0.000 0.643 54 A CB -0.616 18.313 19.000 -0.117 0.000 0.806 54 A HN 0.773 nan 8.150 nan 0.000 0.451 55 E N -4.098 116.162 120.200 0.100 0.000 2.429 55 E HA 0.443 4.793 4.350 0.000 0.000 0.277 55 E C 0.167 176.979 176.600 0.355 0.000 1.130 55 E CA -0.267 56.314 56.400 0.302 0.000 0.875 55 E CB -0.164 29.750 29.700 0.355 0.000 1.443 55 E HN 1.577 nan 8.360 nan 0.000 0.444 56 G N 0.669 109.699 108.800 0.383 0.000 2.693 56 G HA2 -0.109 3.851 3.960 0.000 0.000 0.226 56 G HA3 -0.109 3.851 3.960 0.000 0.000 0.226 56 G C -0.541 174.579 174.900 0.368 0.000 1.354 56 G CA 0.509 45.814 45.100 0.342 0.000 0.873 56 G HN 1.018 nan 8.290 nan 0.000 0.562 57 Q N -0.928 119.061 119.800 0.315 0.000 2.215 57 Q HA 0.809 5.149 4.340 0.000 0.000 0.256 57 Q C -0.139 176.111 176.000 0.416 0.000 0.972 57 Q CA -0.884 55.110 55.803 0.317 0.000 0.889 57 Q CB 1.912 30.783 28.738 0.222 0.000 1.281 57 Q HN 1.407 nan 8.270 nan 0.000 0.456 58 I N 1.722 122.501 120.570 0.349 0.000 2.465 58 I HA 0.767 4.937 4.170 0.000 0.000 0.291 58 I C -0.380 175.920 176.117 0.306 0.000 1.014 58 I CA -0.729 60.736 61.300 0.274 0.000 1.093 58 I CB 1.608 39.599 38.000 -0.014 0.000 1.267 58 I HN 0.889 nan 8.210 nan 0.000 0.431 59 G N 4.580 113.390 108.800 0.017 0.000 2.940 59 G HA2 0.241 4.201 3.960 0.000 0.000 0.164 59 G HA3 0.241 4.201 3.960 0.000 0.000 0.164 59 G C -0.976 173.272 174.900 -1.086 0.000 1.326 59 G CA -0.485 44.262 45.100 -0.588 0.000 1.020 59 G HN 0.564 nan 8.290 nan 0.000 0.586 60 D N 2.205 122.024 120.400 -0.968 0.000 2.533 60 D HA 0.220 4.860 4.640 0.000 0.000 0.236 60 D C -1.748 174.451 176.300 -0.169 0.000 1.137 60 D CA -0.239 53.433 54.000 -0.548 0.000 0.867 60 D CB 0.957 41.579 40.800 -0.297 0.000 1.170 60 D HN 0.032 nan 8.370 nan 0.000 0.474 61 P HA 0.244 nan 4.420 nan 0.000 0.276 61 P C -0.319 176.980 177.300 -0.003 0.000 1.252 61 P CA -0.517 62.673 63.100 0.149 0.000 0.802 61 P CB 0.951 32.854 31.700 0.339 0.000 1.035 62 C N -3.633 115.511 119.300 -0.260 0.000 2.986 62 C HA 0.670 5.130 4.460 0.000 0.000 0.326 62 C C 0.333 174.957 174.990 -0.610 0.000 1.335 62 C CA -0.149 58.627 59.018 -0.404 0.000 1.223 62 C CB 0.079 27.726 27.740 -0.155 0.000 1.354 62 C HN 0.836 nan 8.230 nan 0.000 0.447 63 A N 0.351 122.933 122.820 -0.397 0.000 2.832 63 A HA -0.083 4.237 4.320 0.000 0.000 0.280 63 A C 0.146 177.636 177.584 -0.157 0.000 1.464 63 A CA 1.539 53.402 52.037 -0.290 0.000 0.804 63 A CB -2.638 16.168 19.000 -0.323 0.000 1.020 63 A HN 1.617 nan 8.150 nan 0.000 0.563 64 H N -1.032 118.045 119.070 0.011 0.000 2.547 64 H HA 0.635 5.191 4.556 0.000 0.000 0.362 64 H C 0.199 175.542 175.328 0.026 0.000 1.181 64 H CA 1.058 57.039 56.048 -0.110 0.000 1.376 64 H CB 0.446 30.174 29.762 -0.056 0.000 1.488 64 H HN 1.005 nan 8.280 nan 0.000 0.583 65 Y N -2.690 117.453 120.300 -0.260 0.000 2.717 65 Y HA 0.295 4.845 4.550 0.000 0.000 0.345 65 Y C -1.484 174.370 175.900 -0.077 0.000 1.187 65 Y CA -1.058 56.989 58.100 -0.089 0.000 1.128 65 Y CB 0.503 38.922 38.460 -0.069 0.000 1.360 65 Y HN 0.399 nan 8.280 nan 0.000 0.467 66 T N 2.827 117.533 114.554 0.253 0.000 2.743 66 T HA 0.172 4.522 4.350 0.000 0.000 0.292 66 T C -1.040 173.803 174.700 0.237 0.000 0.972 66 T CA -0.315 61.929 62.100 0.240 0.000 0.967 66 T CB 0.536 69.603 68.868 0.331 0.000 0.926 66 T HN 0.633 nan 8.240 nan 0.000 0.459 67 D N 4.596 125.065 120.400 0.115 0.000 2.346 67 D HA 0.136 4.776 4.640 0.000 0.000 0.260 67 D C -1.437 174.949 176.300 0.143 0.000 1.252 67 D CA -2.113 51.979 54.000 0.152 0.000 0.895 67 D CB 1.493 42.338 40.800 0.075 0.000 1.097 67 D HN 0.142 nan 8.370 nan 0.000 0.489 68 P HA -0.149 nan 4.420 nan 0.000 0.218 68 P C 1.343 178.692 177.300 0.081 0.000 1.148 68 P CA 0.841 64.006 63.100 0.109 0.000 0.822 68 P CB 0.289 32.047 31.700 0.096 0.000 0.784 69 S N -1.157 114.585 115.700 0.070 0.000 2.357 69 S HA -0.106 4.364 4.470 0.000 0.000 0.221 69 S C 1.934 176.568 174.600 0.057 0.000 1.031 69 S CA 2.099 60.331 58.200 0.053 0.000 0.982 69 S CB -1.163 62.061 63.200 0.040 0.000 0.853 69 S HN 0.302 nan 8.310 nan 0.000 0.458 70 T N -3.439 111.158 114.554 0.073 0.000 3.014 70 T HA 0.428 4.778 4.350 0.000 0.000 0.250 70 T C 1.569 176.312 174.700 0.073 0.000 1.060 70 T CA 1.060 63.201 62.100 0.068 0.000 1.040 70 T CB 0.050 68.966 68.868 0.079 0.000 0.971 70 T HN 1.050 nan 8.240 nan 0.000 0.497 71 G N 1.461 110.317 108.800 0.093 0.000 2.179 71 G HA2 -0.206 3.754 3.960 0.000 0.000 0.260 71 G HA3 -0.206 3.754 3.960 0.000 0.000 0.260 71 G C -0.022 174.947 174.900 0.115 0.000 0.977 71 G CA 0.268 45.427 45.100 0.099 0.000 0.641 71 G HN 0.646 nan 8.290 nan 0.000 0.533 72 L N -0.157 121.139 121.223 0.122 0.000 2.417 72 L HA 0.592 4.932 4.340 0.000 0.000 0.268 72 L C 0.605 177.596 176.870 0.201 0.000 1.158 72 L CA -0.886 54.024 54.840 0.116 0.000 0.819 72 L CB 0.631 42.720 42.059 0.050 0.000 1.112 72 L HN 0.117 nan 8.230 nan 0.000 0.458 73 F N 2.471 122.425 119.950 0.006 0.000 2.405 73 F HA 0.300 4.827 4.527 0.000 0.000 0.355 73 F C 0.258 176.036 175.800 -0.037 0.000 1.121 73 F CA -0.307 57.705 58.000 0.021 0.000 1.112 73 F CB 0.269 39.291 39.000 0.036 0.000 1.126 73 F HN 0.324 nan 8.300 nan 0.000 0.481 74 H N 5.338 123.881 119.070 -0.878 0.000 2.489 74 H HA 0.492 5.048 4.556 0.000 0.000 0.322 74 H C -0.760 174.141 175.328 -0.712 0.000 1.091 74 H CA -0.840 54.773 56.048 -0.725 0.000 1.291 74 H CB 1.924 31.085 29.762 -1.003 0.000 1.436 74 H HN 0.327 nan 8.280 nan 0.000 0.480 75 V N 2.561 122.330 119.914 -0.241 0.000 2.555 75 V HA 0.511 4.631 4.120 0.000 0.000 0.302 75 V C 0.508 176.614 176.094 0.021 0.000 1.038 75 V CA -0.597 61.650 62.300 -0.088 0.000 0.887 75 V CB 1.917 33.592 31.823 -0.247 0.000 0.991 75 V HN 0.956 nan 8.190 nan 0.000 0.434 76 G N 2.849 111.709 108.800 0.099 0.000 2.569 76 G HA2 0.908 4.868 3.960 0.000 0.000 0.300 76 G HA3 0.908 4.868 3.960 0.000 0.000 0.300 76 G C -1.469 173.407 174.900 -0.039 0.000 1.269 76 G CA -0.611 44.393 45.100 -0.159 0.000 0.959 76 G HN 0.909 nan 8.290 nan 0.000 0.478 77 F N -1.483 118.412 119.950 -0.091 0.000 2.725 77 F HA 0.538 5.066 4.527 0.000 0.000 0.311 77 F C -1.153 174.616 175.800 -0.052 0.000 1.121 77 F CA -1.639 56.310 58.000 -0.084 0.000 0.978 77 F CB 0.672 39.637 39.000 -0.059 0.000 1.274 77 F HN 0.465 nan 8.300 nan 0.000 0.440 78 L N 2.914 124.236 121.223 0.165 0.000 2.456 78 L HA 0.321 4.661 4.340 0.000 0.000 0.272 78 L C -0.634 176.456 176.870 0.367 0.000 1.189 78 L CA 0.032 54.970 54.840 0.162 0.000 0.846 78 L CB 0.348 42.436 42.059 0.049 0.000 1.111 78 L HN 0.810 nan 8.230 nan 0.000 0.475 79 H N 2.914 122.129 119.070 0.242 0.000 2.840 79 H HA 0.191 4.747 4.556 0.000 0.000 0.340 79 H C -0.455 175.078 175.328 0.341 0.000 1.004 79 H CA -0.891 55.313 56.048 0.260 0.000 1.288 79 H CB 0.913 30.682 29.762 0.011 0.000 1.607 79 H HN 0.630 nan 8.280 nan 0.000 0.522 80 D N 3.895 124.356 120.400 0.103 0.000 2.983 80 D HA -0.170 4.470 4.640 0.000 0.000 0.225 80 D C 0.990 177.353 176.300 0.105 0.000 1.174 80 D CA 1.740 55.758 54.000 0.030 0.000 0.831 80 D CB -1.322 39.403 40.800 -0.125 0.000 1.104 80 D HN 1.158 nan 8.370 nan 0.000 0.421 81 G N 0.861 109.753 108.800 0.153 0.000 2.283 81 G HA2 -0.314 3.646 3.960 0.000 0.000 0.280 81 G HA3 -0.314 3.646 3.960 0.000 0.000 0.280 81 G C 0.236 175.204 174.900 0.114 0.000 1.029 81 G CA 0.744 45.930 45.100 0.143 0.000 0.840 81 G HN 0.517 nan 8.290 nan 0.000 0.505 82 D N -0.896 119.578 120.400 0.124 0.000 2.760 82 D HA 0.512 5.152 4.640 0.000 0.000 0.314 82 D C 0.891 177.137 176.300 -0.091 0.000 1.464 82 D CA 1.350 55.330 54.000 -0.034 0.000 0.797 82 D CB -0.126 40.569 40.800 -0.175 0.000 1.149 82 D HN 1.399 nan 8.370 nan 0.000 0.455 83 G N -0.045 108.830 108.800 0.126 0.000 2.353 83 G HA2 -0.037 3.923 3.960 0.000 0.000 0.615 83 G HA3 -0.037 3.923 3.960 0.000 0.000 0.615 83 G C -1.055 174.010 174.900 0.274 0.000 1.280 83 G CA -0.802 44.381 45.100 0.138 0.000 1.000 83 G HN 0.132 nan 8.290 nan 0.000 0.516 84 I N 1.374 122.031 120.570 0.146 0.000 2.336 84 I HA 0.602 4.772 4.170 0.000 0.000 0.292 84 I C 0.877 176.966 176.117 -0.047 0.000 0.991 84 I CA -0.472 60.822 61.300 -0.010 0.000 1.227 84 I CB 1.451 39.357 38.000 -0.157 0.000 1.366 84 I HN 0.939 nan 8.210 nan 0.000 0.466 85 A N 4.589 127.175 122.820 -0.390 0.000 2.281 85 A HA 0.942 5.262 4.320 0.000 0.000 0.329 85 A C 0.001 177.156 177.584 -0.716 0.000 1.122 85 A CA -0.446 51.215 52.037 -0.627 0.000 0.850 85 A CB 1.388 19.804 19.000 -0.973 0.000 1.207 85 A HN 0.813 nan 8.150 nan 0.000 0.495 86 G N -1.622 106.907 108.800 -0.451 0.000 2.680 86 G HA2 0.821 4.781 3.960 0.000 0.000 0.290 86 G HA3 0.821 4.781 3.960 0.000 0.000 0.290 86 G C -0.868 173.970 174.900 -0.102 0.000 1.355 86 G CA -0.009 44.933 45.100 -0.264 0.000 0.903 86 G HN 1.817 nan 8.290 nan 0.000 0.474 87 A N -0.324 122.490 122.820 -0.009 0.000 2.606 87 A HA 0.946 5.266 4.320 0.000 0.000 0.293 87 A C -0.277 177.286 177.584 -0.036 0.000 1.082 87 A CA -0.026 52.078 52.037 0.112 0.000 0.685 87 A CB 1.648 20.878 19.000 0.384 0.000 1.284 87 A HN 1.833 nan 8.150 nan 0.000 0.408 88 T N -1.610 112.907 114.554 -0.061 0.000 2.907 88 T HA 0.819 5.169 4.350 0.000 0.000 0.292 88 T C -0.439 174.211 174.700 -0.085 0.000 1.043 88 T CA -0.369 61.595 62.100 -0.227 0.000 1.003 88 T CB 1.856 70.466 68.868 -0.429 0.000 1.084 88 T HN 1.497 nan 8.240 nan 0.000 0.483 89 T N -0.280 114.226 114.554 -0.080 0.000 2.916 89 T HA 0.664 5.014 4.350 0.000 0.000 0.305 89 T C 0.372 175.019 174.700 -0.089 0.000 1.119 89 T CA -0.047 61.956 62.100 -0.162 0.000 1.008 89 T CB 1.341 70.023 68.868 -0.311 0.000 1.129 89 T HN 1.036 nan 8.240 nan 0.000 0.480 90 A N 3.032 125.773 122.820 -0.131 0.000 2.382 90 A HA 0.307 4.627 4.320 0.000 0.000 0.228 90 A C 1.134 178.660 177.584 -0.097 0.000 1.217 90 A CA 0.483 52.473 52.037 -0.078 0.000 0.923 90 A CB -0.145 18.811 19.000 -0.073 0.000 0.979 90 A HN 0.846 nan 8.150 nan 0.000 0.515 91 N N -2.394 116.211 118.700 -0.158 0.000 2.067 91 N HA 0.156 4.896 4.740 0.000 0.000 0.227 91 N C 0.191 175.587 175.510 -0.191 0.000 1.348 91 N CA 0.179 53.131 53.050 -0.163 0.000 0.879 91 N CB 0.256 38.638 38.487 -0.176 0.000 1.109 91 N HN 0.303 nan 8.380 nan 0.000 0.501 92 L N -1.002 120.084 121.223 -0.228 0.000 3.730 92 L HA -0.217 4.123 4.340 0.000 0.000 0.410 92 L C 0.456 177.204 176.870 -0.204 0.000 1.234 92 L CA 0.737 55.468 54.840 -0.182 0.000 0.911 92 L CB -1.583 40.391 42.059 -0.142 0.000 1.942 92 L HN 0.497 nan 8.230 nan 0.000 0.860 93 A N -2.437 120.169 122.820 -0.357 0.000 1.786 93 A HA 0.583 4.903 4.320 0.000 0.000 0.208 93 A C 0.697 178.136 177.584 -0.242 0.000 1.787 93 A CA 0.770 52.667 52.037 -0.233 0.000 1.125 93 A CB 0.314 19.126 19.000 -0.313 0.000 1.082 93 A HN 0.849 nan 8.150 nan 0.000 0.534 94 T N -1.800 112.479 114.554 -0.459 0.000 2.888 94 T HA 0.744 5.094 4.350 0.000 0.000 0.284 94 T C -0.812 173.361 174.700 -0.879 0.000 1.017 94 T CA -0.436 61.391 62.100 -0.455 0.000 1.022 94 T CB 1.251 70.003 68.868 -0.193 0.000 1.013 94 T HN 0.215 nan 8.240 nan 0.000 0.465 95 Y N -0.135 119.827 120.300 -0.564 0.000 2.598 95 Y HA 0.688 5.238 4.550 0.000 0.000 0.340 95 Y C 0.474 176.134 175.900 -0.400 0.000 1.038 95 Y CA -1.009 56.696 58.100 -0.659 0.000 1.100 95 Y CB 2.615 40.283 38.460 -1.320 0.000 1.281 95 Y HN 0.741 nan 8.280 nan 0.000 0.488 96 T N 1.317 115.891 114.554 0.033 0.000 2.991 96 T HA 0.207 4.557 4.350 0.000 0.000 0.303 96 T C -1.370 173.515 174.700 0.309 0.000 1.015 96 T CA -1.039 61.184 62.100 0.205 0.000 1.007 96 T CB 0.945 69.854 68.868 0.070 0.000 1.034 96 T HN 0.416 nan 8.240 nan 0.000 0.446 97 D N 2.383 123.024 120.400 0.403 0.000 2.443 97 D HA 0.043 4.683 4.640 0.000 0.000 0.239 97 D C 1.539 177.905 176.300 0.109 0.000 1.136 97 D CA 0.339 54.485 54.000 0.243 0.000 0.879 97 D CB 1.455 42.329 40.800 0.122 0.000 1.195 97 D HN 0.684 nan 8.370 nan 0.000 0.443 98 T N -1.316 113.271 114.554 0.055 0.000 2.951 98 T HA -0.040 4.310 4.350 0.000 0.000 0.268 98 T C 1.020 175.741 174.700 0.034 0.000 1.073 98 T CA 0.601 62.719 62.100 0.030 0.000 1.134 98 T CB 0.076 68.961 68.868 0.028 0.000 0.884 98 T HN 0.482 nan 8.240 nan 0.000 0.479 99 S N 0.712 116.429 115.700 0.030 0.000 2.661 99 S HA 0.511 4.981 4.470 0.000 0.000 0.268 99 S C -1.728 172.889 174.600 0.028 0.000 1.162 99 S CA -0.795 57.425 58.200 0.034 0.000 0.817 99 S CB 1.423 64.649 63.200 0.043 0.000 1.141 99 S HN 0.437 nan 8.310 nan 0.000 0.477 100 D N -0.317 120.105 120.400 0.037 0.000 2.511 100 D HA 0.481 5.121 4.640 0.000 0.000 0.276 100 D C 0.139 176.475 176.300 0.059 0.000 1.220 100 D CA -0.402 53.620 54.000 0.037 0.000 1.077 100 D CB -0.284 40.538 40.800 0.037 0.000 1.126 100 D HN 0.844 nan 8.370 nan 0.000 0.583 101 N N -1.424 117.317 118.700 0.069 0.000 2.714 101 N HA -0.200 4.540 4.740 0.000 0.000 0.252 101 N C 0.844 176.458 175.510 0.174 0.000 1.014 101 N CA 1.747 54.864 53.050 0.111 0.000 0.735 101 N CB -1.182 37.371 38.487 0.110 0.000 0.924 101 N HN 1.134 nan 8.380 nan 0.000 0.540 102 G N -1.362 107.506 108.800 0.112 0.000 2.254 102 G HA2 -0.225 3.735 3.960 0.000 0.000 0.225 102 G HA3 -0.225 3.735 3.960 0.000 0.000 0.225 102 G C 0.521 175.273 174.900 -0.247 0.000 1.003 102 G CA 0.833 45.958 45.100 0.042 0.000 0.622 102 G HN 1.681 nan 8.290 nan 0.000 0.507 103 S N -1.128 114.521 115.700 -0.085 0.000 3.587 103 S HA -0.217 4.253 4.470 0.000 0.000 0.337 103 S C 0.516 175.025 174.600 -0.152 0.000 1.119 103 S CA 1.042 59.178 58.200 -0.106 0.000 0.976 103 S CB -1.813 61.297 63.200 -0.149 0.000 0.922 103 S HN 1.326 nan 8.310 nan 0.000 0.503 104 F N 0.743 120.706 119.950 0.021 0.000 2.518 104 F HA 0.275 4.802 4.527 0.000 0.000 0.359 104 F C 1.569 177.365 175.800 -0.007 0.000 1.118 104 F CA 0.334 58.333 58.000 -0.002 0.000 1.287 104 F CB 0.460 39.471 39.000 0.019 0.000 1.132 104 F HN 0.151 nan 8.300 nan 0.000 0.587 105 L N 2.942 124.281 121.223 0.193 0.000 2.362 105 L HA 0.366 4.707 4.340 0.000 0.000 0.204 105 L C 0.178 177.132 176.870 0.140 0.000 1.060 105 L CA 0.384 55.328 54.840 0.172 0.000 0.827 105 L CB 0.386 42.559 42.059 0.189 0.000 1.027 105 L HN 0.513 nan 8.230 nan 0.000 0.474 106 I N -0.616 119.994 120.570 0.067 0.000 2.722 106 I HA 0.265 4.435 4.170 0.000 0.000 0.292 106 I C -1.685 174.380 176.117 -0.087 0.000 1.267 106 I CA -0.338 60.931 61.300 -0.051 0.000 1.036 106 I CB 2.179 40.052 38.000 -0.211 0.000 1.281 106 I HN 0.047 nan 8.210 nan 0.000 0.423 107 Q N 7.270 126.991 119.800 -0.132 0.000 2.484 107 Q HA 0.588 4.928 4.340 0.000 0.000 0.285 107 Q C -2.621 173.301 176.000 -0.131 0.000 1.097 107 Q CA -1.836 53.856 55.803 -0.184 0.000 0.802 107 Q CB 2.411 30.957 28.738 -0.320 0.000 1.444 107 Q HN 0.395 nan 8.270 nan 0.000 0.429 108 P HA 0.108 nan 4.420 nan 0.000 0.275 108 P C 0.156 177.408 177.300 -0.081 0.000 1.266 108 P CA 0.348 63.402 63.100 -0.076 0.000 0.793 108 P CB 0.587 32.244 31.700 -0.072 0.000 1.074 109 G N -1.929 106.829 108.800 -0.069 0.000 2.192 109 G HA2 -0.077 3.883 3.960 0.000 0.000 0.193 109 G HA3 -0.077 3.883 3.960 0.000 0.000 0.193 109 G C 0.444 175.312 174.900 -0.052 0.000 0.999 109 G CA -0.138 44.921 45.100 -0.067 0.000 0.659 109 G HN 0.868 nan 8.290 nan 0.000 0.503 110 G N -0.407 108.371 108.800 -0.037 0.000 2.563 110 G HA2 0.528 4.488 3.960 0.000 0.000 0.283 110 G HA3 0.528 4.488 3.960 0.000 0.000 0.283 110 G C 0.891 175.770 174.900 -0.034 0.000 1.309 110 G CA 0.272 45.359 45.100 -0.021 0.000 1.022 110 G HN 0.252 nan 8.290 nan 0.000 0.501 111 K N -0.456 119.928 120.400 -0.027 0.000 2.155 111 K HA -0.055 4.265 4.320 0.000 0.000 0.203 111 K C 2.032 178.604 176.600 -0.047 0.000 1.052 111 K CA 1.131 57.396 56.287 -0.036 0.000 0.948 111 K CB 0.054 32.540 32.500 -0.024 0.000 0.728 111 K HN 0.295 nan 8.250 nan 0.000 0.448 112 N N 1.369 120.046 118.700 -0.039 0.000 2.376 112 N HA -0.082 4.658 4.740 0.000 0.000 0.177 112 N C -0.133 175.330 175.510 -0.078 0.000 1.024 112 N CA 1.053 54.068 53.050 -0.059 0.000 0.893 112 N CB 0.153 38.595 38.487 -0.075 0.000 0.980 112 N HN 0.303 nan 8.380 nan 0.000 0.439 113 D N -0.482 119.888 120.400 -0.051 0.000 2.943 113 D HA 0.162 4.802 4.640 0.000 0.000 0.347 113 D C -2.035 174.210 176.300 -0.092 0.000 1.305 113 D CA -1.627 52.337 54.000 -0.061 0.000 0.870 113 D CB 0.910 41.742 40.800 0.054 0.000 1.081 113 D HN 0.057 nan 8.370 nan 0.000 0.492 114 P HA -0.147 nan 4.420 nan 0.000 0.218 114 P C 1.228 178.438 177.300 -0.151 0.000 1.149 114 P CA 0.489 63.503 63.100 -0.143 0.000 0.817 114 P CB 0.607 32.200 31.700 -0.180 0.000 0.785 115 V N -0.950 118.851 119.914 -0.188 0.000 2.492 115 V HA 0.328 4.448 4.120 0.000 0.000 0.241 115 V C 1.333 177.352 176.094 -0.125 0.000 1.041 115 V CA 1.385 63.586 62.300 -0.164 0.000 1.057 115 V CB -0.528 31.171 31.823 -0.207 0.000 0.711 115 V HN 0.223 nan 8.190 nan 0.000 0.468 116 A N -1.081 121.646 122.820 -0.156 0.000 2.586 116 A HA 0.696 5.016 4.320 0.000 0.000 0.290 116 A C -1.717 175.811 177.584 -0.094 0.000 1.086 116 A CA -0.332 51.640 52.037 -0.108 0.000 0.665 116 A CB 1.668 20.611 19.000 -0.094 0.000 1.279 116 A HN -0.067 nan 8.150 nan 0.000 0.423 117 V N 2.068 122.006 119.914 0.040 0.000 2.350 117 V HA 0.524 4.644 4.120 0.000 0.000 0.285 117 V C -0.824 175.472 176.094 0.336 0.000 1.014 117 V CA -0.330 62.050 62.300 0.134 0.000 0.831 117 V CB 0.618 32.449 31.823 0.013 0.000 1.000 117 V HN 0.682 nan 8.190 nan 0.000 0.433 118 F N 1.310 121.338 119.950 0.130 0.000 2.321 118 F HA 0.495 5.022 4.527 0.000 0.000 0.318 118 F C 1.030 176.875 175.800 0.075 0.000 1.129 118 F CA -1.559 56.496 58.000 0.091 0.000 1.074 118 F CB 0.428 39.485 39.000 0.096 0.000 1.432 118 F HN 0.431 nan 8.300 nan 0.000 0.502 119 D N -0.207 120.317 120.400 0.207 0.000 2.443 119 D HA 0.373 5.013 4.640 0.000 0.000 0.234 119 D C 0.340 176.697 176.300 0.096 0.000 1.172 119 D CA 0.742 54.793 54.000 0.085 0.000 0.878 119 D CB 0.455 41.279 40.800 0.039 0.000 1.204 119 D HN 0.641 nan 8.370 nan 0.000 0.453 120 G N -1.519 107.289 108.800 0.013 0.000 2.684 120 G HA2 0.692 4.652 3.960 0.000 0.000 0.290 120 G HA3 0.692 4.652 3.960 0.000 0.000 0.290 120 G C -1.764 173.082 174.900 -0.089 0.000 1.425 120 G CA -0.340 44.752 45.100 -0.014 0.000 0.822 120 G HN 0.593 nan 8.290 nan 0.000 0.482 121 A N -0.799 121.944 122.820 -0.128 0.000 2.469 121 A HA 0.867 5.187 4.320 0.000 0.000 0.299 121 A C -1.208 176.225 177.584 -0.253 0.000 1.098 121 A CA -0.633 51.298 52.037 -0.176 0.000 0.737 121 A CB 2.019 20.905 19.000 -0.190 0.000 1.312 121 A HN 1.321 nan 8.150 nan 0.000 0.414 122 V N 1.710 121.468 119.914 -0.260 0.000 2.495 122 V HA 0.382 4.502 4.120 0.000 0.000 0.298 122 V C -0.437 175.428 176.094 -0.382 0.000 1.031 122 V CA -0.247 61.854 62.300 -0.333 0.000 0.871 122 V CB 1.532 33.121 31.823 -0.389 0.000 0.988 122 V HN 0.696 nan 8.190 nan 0.000 0.432 123 I N 6.951 127.231 120.570 -0.484 0.000 2.297 123 I HA 0.241 4.411 4.170 0.000 0.000 0.291 123 I C -1.499 174.376 176.117 -0.404 0.000 1.033 123 I CA -1.735 59.148 61.300 -0.694 0.000 1.253 123 I CB 1.884 39.409 38.000 -0.792 0.000 1.396 123 I HN 0.455 nan 8.210 nan 0.000 0.476 124 P HA -0.141 nan 4.420 nan 0.000 0.216 124 P C 0.202 177.466 177.300 -0.060 0.000 1.153 124 P CA 1.178 64.240 63.100 -0.062 0.000 0.858 124 P CB 0.200 31.985 31.700 0.142 0.000 0.789 125 V N -0.886 119.035 119.914 0.012 0.000 2.289 125 V HA 0.545 4.665 4.120 0.000 0.000 0.272 125 V C 0.761 176.840 176.094 -0.024 0.000 1.026 125 V CA -0.031 62.283 62.300 0.023 0.000 0.807 125 V CB 0.577 32.480 31.823 0.132 0.000 1.044 125 V HN 0.116 nan 8.190 nan 0.000 0.443 126 G N 2.891 111.523 108.800 -0.280 0.000 3.387 126 G HA2 0.460 4.420 3.960 0.000 0.000 0.194 126 G HA3 0.460 4.420 3.960 0.000 0.000 0.194 126 G C -0.055 174.329 174.900 -0.859 0.000 1.417 126 G CA -0.420 44.197 45.100 -0.806 0.000 0.777 126 G HN 0.319 nan 8.290 nan 0.000 0.721 127 V N 2.180 121.558 119.914 -0.892 0.000 2.599 127 V HA 0.100 4.220 4.120 0.000 0.000 0.300 127 V C 0.495 176.443 176.094 -0.243 0.000 1.034 127 V CA 0.593 62.616 62.300 -0.462 0.000 1.115 127 V CB 0.619 32.258 31.823 -0.306 0.000 0.934 127 V HN 0.707 nan 8.190 nan 0.000 0.485 128 N N 3.444 122.065 118.700 -0.132 0.000 2.708 128 N HA -0.212 4.528 4.740 0.000 0.000 0.251 128 N C 0.493 175.954 175.510 -0.081 0.000 1.123 128 N CA 1.114 54.114 53.050 -0.083 0.000 0.739 128 N CB -1.381 37.054 38.487 -0.087 0.000 1.113 128 N HN 0.900 nan 8.380 nan 0.000 0.561 129 N N -2.345 116.302 118.700 -0.089 0.000 2.714 129 N HA -0.206 4.534 4.740 0.000 0.000 0.250 129 N C -0.030 175.432 175.510 -0.080 0.000 1.117 129 N CA 1.751 54.768 53.050 -0.055 0.000 0.719 129 N CB -1.674 36.808 38.487 -0.009 0.000 1.081 129 N HN 0.823 nan 8.380 nan 0.000 0.557 130 T N -4.095 110.374 114.554 -0.141 0.000 2.926 130 T HA 0.621 4.971 4.350 0.000 0.000 0.289 130 T C -3.087 171.484 174.700 -0.216 0.000 1.054 130 T CA -2.064 59.944 62.100 -0.153 0.000 1.015 130 T CB 3.003 71.774 68.868 -0.161 0.000 1.167 130 T HN -0.298 nan 8.240 nan 0.000 0.526 131 P HA 0.238 nan 4.420 nan 0.000 0.262 131 P C -0.675 176.467 177.300 -0.262 0.000 1.199 131 P CA 0.224 63.099 63.100 -0.375 0.000 0.763 131 P CB 0.142 31.461 31.700 -0.634 0.000 0.790 132 T N 4.555 118.948 114.554 -0.268 0.000 2.792 132 T HA 0.444 4.794 4.350 0.000 0.000 0.280 132 T C -0.502 174.082 174.700 -0.192 0.000 0.990 132 T CA -0.449 61.541 62.100 -0.183 0.000 0.960 132 T CB 0.647 69.321 68.868 -0.324 0.000 0.939 132 T HN 0.120 nan 8.240 nan 0.000 0.439 133 L N 4.643 125.795 121.223 -0.118 0.000 2.275 133 L HA 0.696 5.036 4.340 0.000 0.000 0.288 133 L C -1.113 175.692 176.870 -0.109 0.000 1.046 133 L CA -0.771 53.910 54.840 -0.265 0.000 0.805 133 L CB 0.817 42.521 42.059 -0.592 0.000 1.193 133 L HN 0.525 nan 8.230 nan 0.000 0.426 134 L N 7.492 128.621 121.223 -0.155 0.000 2.276 134 L HA 0.558 4.898 4.340 0.000 0.000 0.286 134 L C -1.096 175.718 176.870 -0.093 0.000 1.024 134 L CA -0.190 54.542 54.840 -0.181 0.000 0.826 134 L CB 0.642 42.504 42.059 -0.329 0.000 1.211 134 L HN 0.674 nan 8.230 nan 0.000 0.422 135 Y N 0.785 120.961 120.300 -0.206 0.000 2.605 135 Y HA 0.735 5.285 4.550 0.000 0.000 0.343 135 Y C -0.441 175.392 175.900 -0.111 0.000 1.036 135 Y CA -1.142 56.867 58.100 -0.151 0.000 1.065 135 Y CB 0.995 39.368 38.460 -0.145 0.000 1.288 135 Y HN 0.369 nan 8.280 nan 0.000 0.481 136 T N 2.850 117.408 114.554 0.006 0.000 2.727 136 T HA 0.298 4.648 4.350 0.000 0.000 0.295 136 T C -0.375 174.293 174.700 -0.055 0.000 0.915 136 T CA -0.520 61.546 62.100 -0.057 0.000 1.066 136 T CB -0.377 68.577 68.868 0.143 0.000 0.891 136 T HN 0.673 nan 8.240 nan 0.000 0.516 137 S N 2.778 118.306 115.700 -0.286 0.000 2.475 137 S HA 0.542 5.012 4.470 0.000 0.000 0.281 137 S C -0.015 174.479 174.600 -0.176 0.000 1.198 137 S CA -0.925 57.166 58.200 -0.182 0.000 1.063 137 S CB 0.905 63.933 63.200 -0.287 0.000 0.972 137 S HN 0.406 nan 8.310 nan 0.000 0.486 138 V N 3.293 123.064 119.914 -0.239 0.000 2.435 138 V HA 0.387 4.507 4.120 0.000 0.000 0.290 138 V C 0.450 176.392 176.094 -0.252 0.000 1.030 138 V CA -0.488 61.622 62.300 -0.317 0.000 0.881 138 V CB 1.519 32.947 31.823 -0.657 0.000 0.983 138 V HN 1.055 nan 8.190 nan 0.000 0.445 139 S N 3.153 118.715 115.700 -0.229 0.000 2.559 139 S HA 0.459 4.929 4.470 0.000 0.000 0.226 139 S C -0.317 173.722 174.600 -0.935 0.000 1.030 139 S CA 0.134 58.040 58.200 -0.490 0.000 0.956 139 S CB 0.202 63.146 63.200 -0.425 0.000 0.900 139 S HN 0.558 nan 8.310 nan 0.000 0.510 140 F N 0.595 120.481 119.950 -0.108 0.000 2.641 140 F HA 0.622 5.149 4.527 0.000 0.000 0.308 140 F C -0.703 175.044 175.800 -0.089 0.000 1.105 140 F CA -0.907 57.038 58.000 -0.092 0.000 0.964 140 F CB 1.427 40.367 39.000 -0.099 0.000 1.294 140 F HN -0.172 nan 8.300 nan 0.000 0.442 141 L N 2.606 123.900 121.223 0.119 0.000 2.415 141 L HA 0.645 4.985 4.340 0.000 0.000 0.256 141 L C -2.189 174.728 176.870 0.078 0.000 1.010 141 L CA -1.739 53.152 54.840 0.087 0.000 0.826 141 L CB 2.542 44.645 42.059 0.074 0.000 1.405 141 L HN 0.490 nan 8.230 nan 0.000 0.410 142 P HA 0.501 nan 4.420 nan 0.000 0.277 142 P C -1.289 176.066 177.300 0.093 0.000 1.271 142 P CA -0.324 62.829 63.100 0.088 0.000 0.795 142 P CB 1.366 33.105 31.700 0.064 0.000 1.101 143 I N 0.099 120.767 120.570 0.163 0.000 2.548 143 I HA 0.330 4.500 4.170 0.000 0.000 0.287 143 I C -0.456 175.835 176.117 0.291 0.000 1.103 143 I CA -0.462 60.955 61.300 0.195 0.000 1.049 143 I CB 1.787 39.946 38.000 0.264 0.000 1.232 143 I HN 0.470 nan 8.210 nan 0.000 0.429 144 H N 6.188 125.341 119.070 0.137 0.000 3.094 144 H HA 0.117 4.673 4.556 0.000 0.000 0.346 144 H C -0.311 175.060 175.328 0.071 0.000 1.238 144 H CA -0.715 55.366 56.048 0.055 0.000 1.209 144 H CB 2.202 31.889 29.762 -0.125 0.000 1.911 144 H HN 0.827 nan 8.280 nan 0.000 0.540 145 W N 3.187 124.307 121.300 -0.300 0.000 2.421 145 W HA -0.105 4.555 4.660 0.000 0.000 0.270 145 W C 0.701 177.254 176.519 0.057 0.000 1.233 145 W CA 1.138 58.395 57.345 -0.146 0.000 1.226 145 W CB -0.982 28.337 29.460 -0.236 0.000 1.121 145 W HN 0.395 nan 8.180 nan 0.000 0.579 146 S N 0.907 116.231 115.700 -0.627 0.000 2.593 146 S HA 0.165 4.635 4.470 0.000 0.000 0.217 146 S C 0.761 175.309 174.600 -0.085 0.000 0.966 146 S CA 0.141 58.023 58.200 -0.529 0.000 0.914 146 S CB -0.971 61.584 63.200 -1.075 0.000 0.776 146 S HN 0.399 nan 8.310 nan 0.000 0.523 147 I N -3.045 117.566 120.570 0.069 0.000 2.934 147 I HA 0.680 4.850 4.170 0.000 0.000 0.306 147 I C -3.251 172.940 176.117 0.124 0.000 1.110 147 I CA -3.276 58.059 61.300 0.059 0.000 1.019 147 I CB 1.166 39.172 38.000 0.011 0.000 1.227 147 I HN -0.291 nan 8.210 nan 0.000 0.434 148 P HA -0.012 nan 4.420 nan 0.000 0.266 148 P C -1.519 175.834 177.300 0.089 0.000 1.193 148 P CA 0.498 63.570 63.100 -0.046 0.000 0.770 148 P CB 0.092 31.750 31.700 -0.070 0.000 0.836 149 Y N 1.975 122.284 120.300 0.015 0.000 2.327 149 Y HA 0.210 4.760 4.550 0.000 0.000 0.336 149 Y C 0.306 176.212 175.900 0.011 0.000 1.035 149 Y CA 0.150 58.300 58.100 0.084 0.000 1.165 149 Y CB 0.564 39.104 38.460 0.134 0.000 1.181 149 Y HN 0.214 nan 8.280 nan 0.000 0.494 150 T N 7.475 121.792 114.554 -0.395 0.000 2.729 150 T HA 0.186 4.536 4.350 0.000 0.000 0.296 150 T C -0.143 174.381 174.700 -0.293 0.000 0.928 150 T CA -0.542 61.364 62.100 -0.323 0.000 1.045 150 T CB -0.016 68.635 68.868 -0.362 0.000 0.902 150 T HN 0.518 nan 8.240 nan 0.000 0.500 151 R N 2.471 122.913 120.500 -0.096 0.000 2.583 151 R HA 0.300 4.640 4.340 0.000 0.000 0.274 151 R C 1.443 177.695 176.300 -0.080 0.000 0.998 151 R CA 1.544 57.664 56.100 0.034 0.000 1.081 151 R CB -0.552 29.743 30.300 -0.008 0.000 0.940 151 R HN 0.932 nan 8.270 nan 0.000 0.413 152 G N 1.995 110.850 108.800 0.093 0.000 2.159 152 G HA2 -0.326 3.634 3.960 0.000 0.000 0.256 152 G HA3 -0.326 3.634 3.960 0.000 0.000 0.256 152 G C 1.006 176.066 174.900 0.266 0.000 0.977 152 G CA 0.605 45.791 45.100 0.143 0.000 0.652 152 G HN 0.604 nan 8.290 nan 0.000 0.531 153 S N 0.163 115.964 115.700 0.168 0.000 2.353 153 S HA 0.016 4.486 4.470 0.000 0.000 0.222 153 S C 0.931 175.624 174.600 0.155 0.000 1.035 153 S CA 1.806 60.094 58.200 0.146 0.000 1.025 153 S CB -0.049 62.995 63.200 -0.260 0.000 0.902 153 S HN 0.777 nan 8.310 nan 0.000 0.440 154 E N 0.570 120.932 120.200 0.269 0.000 2.199 154 E HA 0.469 4.819 4.350 0.000 0.000 0.265 154 E C -0.605 176.152 176.600 0.262 0.000 0.882 154 E CA -0.480 56.061 56.400 0.235 0.000 0.759 154 E CB 2.006 31.926 29.700 0.367 0.000 1.148 154 E HN 0.349 nan 8.360 nan 0.000 0.412 155 T N -0.100 114.507 114.554 0.088 0.000 2.901 155 T HA 0.414 4.764 4.350 0.000 0.000 0.293 155 T C -0.703 173.918 174.700 -0.131 0.000 1.084 155 T CA -1.181 60.945 62.100 0.043 0.000 1.008 155 T CB 1.591 70.455 68.868 -0.007 0.000 1.170 155 T HN 0.142 nan 8.240 nan 0.000 0.509 156 Q N 1.352 121.036 119.800 -0.194 0.000 2.347 156 Q HA 0.655 4.995 4.340 0.000 0.000 0.262 156 Q C -0.755 175.010 176.000 -0.392 0.000 0.980 156 Q CA -0.528 55.063 55.803 -0.353 0.000 0.867 156 Q CB 1.735 30.227 28.738 -0.410 0.000 1.242 156 Q HN 0.736 nan 8.270 nan 0.000 0.453 157 S N 1.712 117.060 115.700 -0.587 0.000 2.689 157 S HA 0.720 5.190 4.470 0.000 0.000 0.306 157 S C -0.130 174.251 174.600 -0.365 0.000 1.104 157 S CA -0.715 57.192 58.200 -0.488 0.000 0.973 157 S CB 1.267 64.139 63.200 -0.547 0.000 1.121 157 S HN 0.424 nan 8.310 nan 0.000 0.523 158 L N 1.196 122.344 121.223 -0.125 0.000 2.334 158 L HA 0.879 5.219 4.340 0.000 0.000 0.273 158 L C -0.228 176.715 176.870 0.122 0.000 1.013 158 L CA -0.665 54.175 54.840 0.001 0.000 0.816 158 L CB 1.639 43.691 42.059 -0.011 0.000 1.278 158 L HN 0.761 nan 8.230 nan 0.000 0.431 159 A N 2.155 125.056 122.820 0.135 0.000 2.549 159 A HA 0.794 5.114 4.320 0.000 0.000 0.297 159 A C -1.358 176.336 177.584 0.183 0.000 1.061 159 A CA -0.463 51.673 52.037 0.165 0.000 0.690 159 A CB 1.957 21.067 19.000 0.183 0.000 1.287 159 A HN 0.333 nan 8.150 nan 0.000 0.402 160 V N 1.259 121.233 119.914 0.101 0.000 2.581 160 V HA 0.686 4.806 4.120 0.000 0.000 0.303 160 V C 0.808 176.739 176.094 -0.272 0.000 1.041 160 V CA -0.278 62.000 62.300 -0.037 0.000 0.907 160 V CB 1.671 33.431 31.823 -0.105 0.000 0.994 160 V HN 1.394 nan 8.190 nan 0.000 0.442 161 A N 5.800 128.246 122.820 -0.624 0.000 2.440 161 A HA 0.666 4.986 4.320 0.000 0.000 0.251 161 A C 0.099 177.374 177.584 -0.515 0.000 1.089 161 A CA -0.151 51.228 52.037 -1.096 0.000 0.779 161 A CB 0.141 18.493 19.000 -1.081 0.000 1.022 161 A HN 0.707 nan 8.150 nan 0.000 0.492 162 R N 1.222 121.466 120.500 -0.427 0.000 2.795 162 R HA 0.354 4.694 4.340 0.000 0.000 0.275 162 R C -0.971 175.234 176.300 -0.157 0.000 0.981 162 R CA -0.629 55.338 56.100 -0.221 0.000 0.917 162 R CB 1.154 31.361 30.300 -0.156 0.000 1.202 162 R HN 0.935 nan 8.270 nan 0.000 0.469 163 D N 0.782 121.125 120.400 -0.095 0.000 3.038 163 D HA -0.171 4.469 4.640 0.000 0.000 0.229 163 D C 0.840 177.123 176.300 -0.027 0.000 1.182 163 D CA 1.794 55.764 54.000 -0.050 0.000 0.852 163 D CB -0.822 39.957 40.800 -0.035 0.000 0.932 163 D HN 0.904 nan 8.370 nan 0.000 0.406 164 G N 1.044 109.834 108.800 -0.016 0.000 2.186 164 G HA2 -0.030 3.930 3.960 0.000 0.000 0.266 164 G HA3 -0.030 3.930 3.960 0.000 0.000 0.266 164 G C 1.436 176.402 174.900 0.111 0.000 0.982 164 G CA 0.996 46.122 45.100 0.045 0.000 0.670 164 G HN 1.963 nan 8.290 nan 0.000 0.533 165 G N -1.309 107.484 108.800 -0.012 0.000 2.132 165 G HA2 -0.264 3.696 3.960 0.000 0.000 0.234 165 G HA3 -0.264 3.696 3.960 0.000 0.000 0.234 165 G C 0.824 175.773 174.900 0.082 0.000 0.989 165 G CA 1.021 46.111 45.100 -0.018 0.000 0.676 165 G HN 0.935 nan 8.290 nan 0.000 0.522 166 R N -0.497 120.023 120.500 0.034 0.000 2.313 166 R HA 0.227 4.567 4.340 0.000 0.000 0.199 166 R C 1.122 177.447 176.300 0.042 0.000 0.958 166 R CA 0.759 56.891 56.100 0.053 0.000 1.047 166 R CB 0.336 30.655 30.300 0.033 0.000 0.955 166 R HN 0.449 nan 8.270 nan 0.000 0.481 167 R N -0.225 120.262 120.500 -0.022 0.000 2.634 167 R HA 0.205 4.545 4.340 0.000 0.000 0.263 167 R C -1.923 174.293 176.300 -0.139 0.000 1.060 167 R CA -0.552 55.550 56.100 0.004 0.000 0.898 167 R CB 1.102 31.398 30.300 -0.008 0.000 1.253 167 R HN -0.104 nan 8.270 nan 0.000 0.461 168 F N 2.143 122.062 119.950 -0.052 0.000 2.460 168 F HA 0.331 4.858 4.527 0.000 0.000 0.341 168 F C -0.356 175.394 175.800 -0.082 0.000 1.130 168 F CA -0.521 57.428 58.000 -0.086 0.000 0.962 168 F CB 1.731 40.652 39.000 -0.132 0.000 1.171 168 F HN 0.290 nan 8.300 nan 0.000 0.436 169 D N 4.416 124.834 120.400 0.029 0.000 2.249 169 D HA 0.162 4.802 4.640 0.000 0.000 0.246 169 D C -0.136 176.194 176.300 0.050 0.000 1.114 169 D CA -0.384 53.627 54.000 0.019 0.000 0.854 169 D CB 1.281 42.067 40.800 -0.023 0.000 1.132 169 D HN 0.388 nan 8.370 nan 0.000 0.461 170 K N 1.654 122.087 120.400 0.054 0.000 2.401 170 K HA 0.172 4.492 4.320 0.000 0.000 0.278 170 K C 0.409 177.038 176.600 0.048 0.000 1.018 170 K CA -0.290 56.048 56.287 0.084 0.000 0.981 170 K CB 0.868 33.423 32.500 0.092 0.000 0.933 170 K HN 0.259 nan 8.250 nan 0.000 0.477 171 L N 2.143 123.393 121.223 0.045 0.000 2.456 171 L HA -0.026 4.314 4.340 0.000 0.000 0.272 171 L C 0.668 177.543 176.870 0.009 0.000 1.189 171 L CA -0.109 54.739 54.840 0.014 0.000 0.846 171 L CB 0.266 42.327 42.059 0.004 0.000 1.111 171 L HN 0.645 nan 8.230 nan 0.000 0.475 172 D N 2.603 123.003 120.400 0.001 0.000 2.671 172 D HA 0.187 4.827 4.640 0.000 0.000 0.228 172 D C -0.414 175.883 176.300 -0.004 0.000 1.102 172 D CA 0.021 54.020 54.000 -0.001 0.000 1.044 172 D CB 0.039 40.837 40.800 -0.003 0.000 1.113 172 D HN 0.486 nan 8.370 nan 0.000 0.480 173 Q N -0.801 118.995 119.800 -0.006 0.000 2.841 173 Q HA 0.554 4.894 4.340 0.000 0.000 0.309 173 Q C 0.012 176.002 176.000 -0.018 0.000 0.868 173 Q CA -1.078 54.719 55.803 -0.010 0.000 0.760 173 Q CB -0.034 28.696 28.738 -0.012 0.000 1.454 173 Q HN 0.005 nan 8.270 nan 0.000 0.449 174 G N 0.381 109.170 108.800 -0.018 0.000 2.653 174 G HA2 0.531 4.491 3.960 0.000 0.000 0.265 174 G HA3 0.531 4.491 3.960 0.000 0.000 0.265 174 G C -2.191 172.681 174.900 -0.047 0.000 1.237 174 G CA -1.071 44.014 45.100 -0.026 0.000 0.946 174 G HN 0.668 nan 8.290 nan 0.000 0.522 175 P HA 0.023 nan 4.420 nan 0.000 0.269 175 P C 1.168 178.426 177.300 -0.071 0.000 1.209 175 P CA 0.004 63.043 63.100 -0.102 0.000 0.776 175 P CB 1.198 32.835 31.700 -0.105 0.000 0.876 176 V N 0.023 119.883 119.914 -0.091 0.000 3.306 176 V HA 0.158 4.278 4.120 0.000 0.000 0.264 176 V C 1.036 177.139 176.094 0.015 0.000 1.149 176 V CA 0.975 63.265 62.300 -0.016 0.000 1.143 176 V CB -0.754 31.115 31.823 0.076 0.000 0.767 176 V HN 0.332 nan 8.190 nan 0.000 0.476 177 I N 1.062 121.584 120.570 -0.079 0.000 2.641 177 I HA 0.527 4.697 4.170 0.000 0.000 0.275 177 I C 0.978 177.093 176.117 -0.003 0.000 1.129 177 I CA -0.140 61.130 61.300 -0.050 0.000 1.094 177 I CB 1.406 39.266 38.000 -0.233 0.000 1.232 177 I HN 0.091 nan 8.210 nan 0.000 0.503 178 A N 3.210 126.041 122.820 0.019 0.000 2.238 178 A HA 0.143 4.463 4.320 0.000 0.000 0.208 178 A C 0.255 177.836 177.584 -0.006 0.000 1.177 178 A CA 0.776 52.819 52.037 0.011 0.000 0.804 178 A CB -0.223 18.785 19.000 0.014 0.000 0.823 178 A HN 0.655 nan 8.150 nan 0.000 0.482 179 D N -2.210 118.168 120.400 -0.037 0.000 2.683 179 D HA 0.344 4.984 4.640 0.000 0.000 0.246 179 D C -0.594 175.429 176.300 -0.462 0.000 1.238 179 D CA -0.587 53.277 54.000 -0.227 0.000 0.759 179 D CB 0.593 41.245 40.800 -0.247 0.000 1.349 179 D HN 0.352 nan 8.370 nan 0.000 0.426 180 H N -0.731 117.907 119.070 -0.719 0.000 2.581 180 H HA 0.599 5.155 4.556 0.000 0.000 0.369 180 H C -2.326 172.552 175.328 -0.750 0.000 1.351 180 H CA -1.525 53.635 56.048 -1.481 0.000 1.434 180 H CB -0.962 27.901 29.762 -1.499 0.000 1.558 180 H HN 0.034 nan 8.280 nan 0.000 0.608 181 P HA -0.108 nan 4.420 nan 0.000 0.261 181 P C -0.503 176.800 177.300 0.004 0.000 1.173 181 P CA 0.274 63.187 63.100 -0.311 0.000 0.760 181 P CB 0.014 31.480 31.700 -0.391 0.000 0.783 182 F N 4.266 124.170 119.950 -0.077 0.000 2.580 182 F HA 0.071 4.598 4.527 0.000 0.000 0.398 182 F C 1.284 177.104 175.800 0.035 0.000 1.023 182 F CA 0.834 58.817 58.000 -0.027 0.000 1.188 182 F CB -0.544 38.458 39.000 0.002 0.000 1.005 182 F HN 0.654 nan 8.300 nan 0.000 0.546 183 A N 3.404 125.789 122.820 -0.726 0.000 2.816 183 A HA -0.211 4.109 4.320 0.000 0.000 0.270 183 A C -0.022 177.430 177.584 -0.220 0.000 1.413 183 A CA 0.950 52.635 52.037 -0.587 0.000 0.866 183 A CB -2.627 15.848 19.000 -0.874 0.000 1.032 183 A HN 0.694 nan 8.150 nan 0.000 0.642 184 V N 1.017 120.871 119.914 -0.101 0.000 2.383 184 V HA 0.342 4.462 4.120 0.000 0.000 0.275 184 V C 0.465 176.401 176.094 -0.264 0.000 1.036 184 V CA 0.084 62.318 62.300 -0.111 0.000 0.889 184 V CB 1.584 33.373 31.823 -0.057 0.000 0.985 184 V HN 0.458 nan 8.190 nan 0.000 0.459 185 D N 4.658 124.963 120.400 -0.157 0.000 2.545 185 D HA 0.152 4.792 4.640 0.000 0.000 0.227 185 D C 0.254 176.489 176.300 -0.108 0.000 1.150 185 D CA -0.098 53.825 54.000 -0.130 0.000 1.046 185 D CB 0.382 41.181 40.800 -0.001 0.000 1.098 185 D HN 0.454 nan 8.370 nan 0.000 0.502 186 V N 1.480 121.120 119.914 -0.457 0.000 2.811 186 V HA 0.259 4.379 4.120 0.000 0.000 0.302 186 V C 1.448 177.344 176.094 -0.331 0.000 1.063 186 V CA 0.239 62.286 62.300 -0.422 0.000 1.088 186 V CB 0.928 32.300 31.823 -0.752 0.000 0.982 186 V HN 0.454 nan 8.190 nan 0.000 0.485 187 T N 0.090 114.505 114.554 -0.233 0.000 3.035 187 T HA 0.612 4.962 4.350 0.000 0.000 0.259 187 T C 0.628 175.407 174.700 0.132 0.000 1.078 187 T CA 0.559 62.553 62.100 -0.176 0.000 1.132 187 T CB 0.070 68.811 68.868 -0.211 0.000 0.900 187 T HN 1.824 nan 8.240 nan 0.000 0.480 188 A N 0.228 123.094 122.820 0.075 0.000 2.608 188 A HA 0.677 4.997 4.320 0.000 0.000 0.292 188 A C -2.073 175.706 177.584 0.326 0.000 1.066 188 A CA -0.877 51.338 52.037 0.298 0.000 0.676 188 A CB 0.887 20.083 19.000 0.327 0.000 1.277 188 A HN 0.319 nan 8.150 nan 0.000 0.413 189 F N 1.484 121.556 119.950 0.203 0.000 3.020 189 F HA 0.484 5.011 4.527 0.000 0.000 0.389 189 F C -0.048 175.883 175.800 0.219 0.000 1.265 189 F CA -0.105 57.981 58.000 0.143 0.000 1.195 189 F CB 0.407 39.385 39.000 -0.037 0.000 2.250 189 F HN 0.870 nan 8.300 nan 0.000 0.627 190 R N 0.232 120.804 120.500 0.120 0.000 2.906 190 R HA 0.638 4.978 4.340 0.000 0.000 0.258 190 R C -1.288 175.056 176.300 0.073 0.000 1.156 190 R CA -0.782 55.376 56.100 0.096 0.000 0.996 190 R CB 0.805 31.295 30.300 0.316 0.000 1.259 190 R HN 0.087 nan 8.270 nan 0.000 0.462 191 D N 0.091 120.546 120.400 0.090 0.000 2.760 191 D HA -0.074 4.566 4.640 0.000 0.000 0.244 191 D C -2.295 174.064 176.300 0.097 0.000 1.123 191 D CA 0.524 54.581 54.000 0.095 0.000 0.719 191 D CB -1.051 39.812 40.800 0.105 0.000 1.045 191 D HN 0.496 nan 8.370 nan 0.000 0.426 192 P HA 0.250 nan 4.420 nan 0.000 0.268 192 P C -0.447 176.951 177.300 0.164 0.000 1.204 192 P CA -0.139 62.981 63.100 0.034 0.000 0.768 192 P CB 0.480 32.095 31.700 -0.142 0.000 0.842 193 F N 4.209 124.229 119.950 0.117 0.000 2.539 193 F HA 0.394 4.921 4.527 0.000 0.000 0.318 193 F C -0.688 175.315 175.800 0.340 0.000 1.135 193 F CA -0.895 57.230 58.000 0.208 0.000 0.915 193 F CB 1.659 40.804 39.000 0.241 0.000 1.176 193 F HN 0.214 nan 8.300 nan 0.000 0.440 194 V N 4.434 124.232 119.914 -0.194 0.000 2.612 194 V HA 0.852 4.972 4.120 0.000 0.000 0.301 194 V C -0.997 175.367 176.094 0.451 0.000 1.046 194 V CA -0.702 61.693 62.300 0.157 0.000 0.946 194 V CB 1.263 33.080 31.823 -0.011 0.000 1.003 194 V HN 0.883 nan 8.190 nan 0.000 0.459 195 F N 0.774 121.118 119.950 0.656 0.000 2.773 195 F HA 0.853 5.380 4.527 0.000 0.000 0.314 195 F C -0.851 175.253 175.800 0.507 0.000 1.160 195 F CA -1.396 56.998 58.000 0.658 0.000 0.920 195 F CB 1.534 40.970 39.000 0.726 0.000 1.323 195 F HN 0.551 nan 8.300 nan 0.000 0.457 196 R N 0.739 121.471 120.500 0.388 0.000 2.778 196 R HA 0.785 5.125 4.340 0.000 0.000 0.277 196 R C -1.399 174.935 176.300 0.057 0.000 0.977 196 R CA -1.293 54.883 56.100 0.128 0.000 0.950 196 R CB 2.036 32.307 30.300 -0.048 0.000 1.165 196 R HN 0.812 nan 8.270 nan 0.000 0.474 197 S N 0.143 115.745 115.700 -0.163 0.000 2.626 197 S HA 0.368 4.838 4.470 0.000 0.000 0.275 197 S C 0.081 174.148 174.600 -0.888 0.000 1.175 197 S CA -0.256 57.506 58.200 -0.729 0.000 0.982 197 S CB 1.610 64.520 63.200 -0.484 0.000 1.093 197 S HN 0.742 nan 8.310 nan 0.000 0.472 198 A N 5.176 127.033 122.820 -1.604 0.000 1.898 198 A HA 0.004 4.324 4.320 0.000 0.000 0.216 198 A C 2.235 179.407 177.584 -0.687 0.000 1.181 198 A CA 0.930 51.895 52.037 -1.788 0.000 0.620 198 A CB -0.499 17.560 19.000 -1.568 0.000 0.819 198 A HN 0.731 nan 8.150 nan 0.000 0.442 199 R N -0.030 120.173 120.500 -0.495 0.000 2.082 199 R HA -0.105 4.235 4.340 0.000 0.000 0.234 199 R C 2.106 178.327 176.300 -0.131 0.000 1.136 199 R CA 1.803 57.773 56.100 -0.216 0.000 0.935 199 R CB -1.083 29.154 30.300 -0.105 0.000 0.842 199 R HN 0.601 nan 8.270 nan 0.000 0.430 200 L N 0.576 121.706 121.223 -0.156 0.000 2.012 200 L HA -0.238 4.102 4.340 0.000 0.000 0.210 200 L C 2.159 179.062 176.870 0.056 0.000 1.073 200 L CA 1.635 56.415 54.840 -0.100 0.000 0.748 200 L CB -0.631 41.145 42.059 -0.472 0.000 0.891 200 L HN 0.155 nan 8.230 nan 0.000 0.431 201 D N -0.339 120.114 120.400 0.088 0.000 2.116 201 D HA -0.176 4.464 4.640 0.000 0.000 0.193 201 D C 2.262 178.624 176.300 0.104 0.000 0.998 201 D CA 1.224 55.331 54.000 0.179 0.000 0.836 201 D CB -0.333 40.609 40.800 0.237 0.000 0.951 201 D HN 0.067 nan 8.370 nan 0.000 0.449 202 V N 0.835 120.770 119.914 0.035 0.000 2.261 202 V HA -0.222 3.898 4.120 0.000 0.000 0.246 202 V C 2.647 178.765 176.094 0.039 0.000 1.047 202 V CA 1.221 63.544 62.300 0.037 0.000 1.015 202 V CB -0.553 31.271 31.823 0.002 0.000 0.642 202 V HN 0.222 nan 8.190 nan 0.000 0.446 203 L N -0.655 120.587 121.223 0.031 0.000 2.127 203 L HA -0.191 4.149 4.340 0.000 0.000 0.211 203 L C 2.108 179.012 176.870 0.057 0.000 1.089 203 L CA 1.395 56.259 54.840 0.041 0.000 0.757 203 L CB -0.443 41.643 42.059 0.044 0.000 0.899 203 L HN 0.328 nan 8.230 nan 0.000 0.434 204 L N -0.928 120.341 121.223 0.078 0.000 2.591 204 L HA 0.014 4.354 4.340 0.000 0.000 0.228 204 L C 1.894 178.802 176.870 0.062 0.000 1.133 204 L CA 0.403 55.292 54.840 0.083 0.000 0.880 204 L CB -0.104 42.029 42.059 0.124 0.000 1.033 204 L HN 0.307 nan 8.230 nan 0.000 0.450 205 S N -2.014 113.720 115.700 0.056 0.000 2.604 205 S HA 0.297 4.767 4.470 0.000 0.000 0.235 205 S C 0.574 175.195 174.600 0.034 0.000 1.043 205 S CA -0.479 57.748 58.200 0.044 0.000 0.997 205 S CB 0.286 63.517 63.200 0.052 0.000 0.956 205 S HN 0.120 nan 8.310 nan 0.000 0.535 206 L N 1.631 122.874 121.223 0.034 0.000 2.569 206 L HA 0.545 4.885 4.340 0.000 0.000 0.247 206 L C -0.200 176.684 176.870 0.022 0.000 1.135 206 L CA -1.113 53.742 54.840 0.026 0.000 0.812 206 L CB 0.315 42.388 42.059 0.024 0.000 1.431 206 L HN 0.144 nan 8.230 nan 0.000 0.499 207 D N 0.345 120.756 120.400 0.018 0.000 2.253 207 D HA 0.034 4.674 4.640 0.000 0.000 0.249 207 D C 0.527 176.835 176.300 0.015 0.000 1.049 207 D CA -0.285 53.724 54.000 0.015 0.000 0.929 207 D CB 1.178 41.985 40.800 0.012 0.000 1.176 207 D HN 0.489 nan 8.370 nan 0.000 0.437 208 E N 0.608 120.817 120.200 0.014 0.000 2.495 208 E HA -0.167 4.183 4.350 0.000 0.000 0.204 208 E C 0.101 176.707 176.600 0.010 0.000 1.163 208 E CA 1.062 57.470 56.400 0.013 0.000 0.922 208 E CB -0.102 29.606 29.700 0.013 0.000 0.918 208 E HN 0.551 nan 8.360 nan 0.000 0.537 209 E N -0.733 119.473 120.200 0.009 0.000 2.583 209 E HA 0.073 4.423 4.350 0.000 0.000 0.204 209 E C 1.476 178.080 176.600 0.007 0.000 0.860 209 E CA 0.360 56.764 56.400 0.007 0.000 1.473 209 E CB 0.593 30.297 29.700 0.006 0.000 1.469 209 E HN 0.085 nan 8.360 nan 0.000 0.788 210 V N 1.144 121.063 119.914 0.009 0.000 3.461 210 V HA 0.080 4.200 4.120 0.000 0.000 0.267 210 V C 1.691 177.791 176.094 0.010 0.000 1.186 210 V CA 1.484 63.790 62.300 0.009 0.000 1.154 210 V CB 0.275 32.105 31.823 0.011 0.000 0.802 210 V HN 0.258 nan 8.190 nan 0.000 0.474 211 A N -0.675 122.152 122.820 0.011 0.000 2.343 211 A HA 0.174 4.494 4.320 0.000 0.000 0.223 211 A C 2.137 179.726 177.584 0.008 0.000 1.214 211 A CA -0.056 51.988 52.037 0.012 0.000 0.900 211 A CB -0.015 18.995 19.000 0.018 0.000 0.942 211 A HN 0.287 nan 8.150 nan 0.000 0.507 212 R N 1.804 122.307 120.500 0.005 0.000 2.119 212 R HA -0.013 4.327 4.340 0.000 0.000 0.222 212 R C 0.038 176.337 176.300 -0.003 0.000 1.088 212 R CA 0.661 56.761 56.100 0.001 0.000 0.984 212 R CB -0.715 29.585 30.300 0.000 0.000 0.884 212 R HN 0.764 nan 8.270 nan 0.000 0.447 213 N N 2.052 120.752 118.700 -0.000 0.000 2.401 213 N HA -0.004 4.736 4.740 0.000 0.000 0.255 213 N C -0.025 175.484 175.510 -0.002 0.000 1.110 213 N CA 0.047 53.096 53.050 -0.002 0.000 0.949 213 N CB 1.104 39.592 38.487 0.000 0.000 1.110 213 N HN 0.093 nan 8.380 nan 0.000 0.490 214 E N 1.206 121.403 120.200 -0.005 0.000 2.393 214 E HA -0.163 4.187 4.350 0.000 0.000 0.201 214 E C 0.648 177.247 176.600 -0.002 0.000 1.025 214 E CA 1.259 57.656 56.400 -0.006 0.000 0.856 214 E CB 0.020 29.713 29.700 -0.011 0.000 0.771 214 E HN 0.680 nan 8.360 nan 0.000 0.526 215 T N 0.911 115.465 114.554 -0.000 0.000 2.623 215 T HA -0.126 4.224 4.350 0.000 0.000 0.254 215 T C 2.109 176.812 174.700 0.006 0.000 1.075 215 T CA 1.197 63.299 62.100 0.003 0.000 1.177 215 T CB -0.427 68.443 68.868 0.003 0.000 0.869 215 T HN 0.293 nan 8.240 nan 0.000 0.403 216 A N 1.149 123.973 122.820 0.007 0.000 1.958 216 A HA -0.137 4.183 4.320 0.000 0.000 0.221 216 A C 2.564 180.155 177.584 0.012 0.000 1.178 216 A CA 1.837 53.880 52.037 0.010 0.000 0.642 216 A CB -1.330 17.676 19.000 0.010 0.000 0.816 216 A HN 0.350 nan 8.150 nan 0.000 0.453 217 V N -0.410 119.509 119.914 0.009 0.000 2.233 217 V HA -0.327 3.793 4.120 0.000 0.000 0.247 217 V C 2.685 178.784 176.094 0.007 0.000 1.050 217 V CA 2.393 64.698 62.300 0.008 0.000 1.010 217 V CB -0.952 30.872 31.823 0.001 0.000 0.637 217 V HN 0.682 nan 8.190 nan 0.000 0.444 218 Q N -0.082 119.721 119.800 0.004 0.000 2.217 218 Q HA -0.283 4.057 4.340 0.000 0.000 0.209 218 Q C 2.111 178.121 176.000 0.018 0.000 0.988 218 Q CA 1.991 57.797 55.803 0.006 0.000 0.878 218 Q CB -0.443 28.298 28.738 0.005 0.000 0.909 218 Q HN 0.671 nan 8.270 nan 0.000 0.424 219 Q N -0.778 119.034 119.800 0.020 0.000 2.084 219 Q HA -0.047 4.293 4.340 0.000 0.000 0.202 219 Q C 1.918 177.941 176.000 0.038 0.000 0.978 219 Q CA 1.921 57.739 55.803 0.026 0.000 0.844 219 Q CB -0.559 28.192 28.738 0.022 0.000 0.898 219 Q HN 0.510 nan 8.270 nan 0.000 0.426 220 A N -0.552 122.292 122.820 0.040 0.000 1.929 220 A HA -0.085 4.235 4.320 0.000 0.000 0.216 220 A C 2.247 179.884 177.584 0.090 0.000 1.176 220 A CA 1.170 53.244 52.037 0.061 0.000 0.628 220 A CB -0.577 18.456 19.000 0.056 0.000 0.816 220 A HN 0.219 nan 8.150 nan 0.000 0.444 221 V N 0.979 120.926 119.914 0.055 0.000 2.332 221 V HA -0.270 3.850 4.120 0.000 0.000 0.248 221 V C 2.053 178.214 176.094 0.112 0.000 1.055 221 V CA 2.328 64.656 62.300 0.047 0.000 1.038 221 V CB -0.886 30.924 31.823 -0.022 0.000 0.651 221 V HN 0.492 nan 8.190 nan 0.000 0.450 222 D N 0.818 121.267 120.400 0.081 0.000 2.221 222 D HA -0.103 4.537 4.640 0.000 0.000 0.204 222 D C 2.032 178.396 176.300 0.106 0.000 0.982 222 D CA 1.583 55.633 54.000 0.084 0.000 0.857 222 D CB -0.394 40.438 40.800 0.054 0.000 0.934 222 D HN 0.528 nan 8.370 nan 0.000 0.475 223 G N -0.797 108.070 108.800 0.111 0.000 3.042 223 G HA2 -0.031 3.929 3.960 0.000 0.000 0.212 223 G HA3 -0.031 3.929 3.960 0.000 0.000 0.212 223 G C 0.045 175.020 174.900 0.126 0.000 1.166 223 G CA -0.629 44.526 45.100 0.093 0.000 0.767 223 G HN 0.134 nan 8.290 nan 0.000 0.546 224 W N 2.288 123.580 121.300 -0.015 0.000 2.193 224 W HA 0.434 5.094 4.660 0.000 0.000 0.338 224 W C -0.436 176.068 176.519 -0.025 0.000 1.310 224 W CA 0.322 57.653 57.345 -0.023 0.000 1.243 224 W CB 0.774 30.214 29.460 -0.032 0.000 1.165 224 W HN -0.152 nan 8.180 nan 0.000 0.566 225 T N 6.061 120.093 114.554 -0.871 0.000 2.840 225 T HA 0.056 4.406 4.350 0.000 0.000 0.287 225 T C 0.723 174.543 174.700 -1.466 0.000 0.991 225 T CA -0.575 61.011 62.100 -0.857 0.000 0.964 225 T CB 1.669 70.272 68.868 -0.441 0.000 0.954 225 T HN 0.684 nan 8.240 nan 0.000 0.438 226 E N 3.371 122.759 120.200 -1.355 0.000 2.047 226 E HA -0.143 4.207 4.350 0.000 0.000 0.191 226 E C 1.611 177.910 176.600 -0.502 0.000 0.987 226 E CA 1.324 57.089 56.400 -1.058 0.000 0.799 226 E CB 0.103 29.559 29.700 -0.405 0.000 0.752 226 E HN 0.526 nan 8.360 nan 0.000 0.449 227 K N 0.610 120.811 120.400 -0.331 0.000 2.071 227 K HA -0.219 4.101 4.320 0.000 0.000 0.217 227 K C 1.574 178.077 176.600 -0.163 0.000 1.054 227 K CA 1.859 58.041 56.287 -0.175 0.000 0.937 227 K CB -0.420 32.003 32.500 -0.128 0.000 0.719 227 K HN 0.361 nan 8.250 nan 0.000 0.454 228 N N -0.004 118.563 118.700 -0.222 0.000 2.251 228 N HA 0.089 4.829 4.740 0.000 0.000 0.217 228 N C -0.466 174.926 175.510 -0.198 0.000 1.124 228 N CA -0.040 52.909 53.050 -0.168 0.000 0.843 228 N CB 0.398 38.800 38.487 -0.142 0.000 1.024 228 N HN 0.020 nan 8.380 nan 0.000 0.501 229 A N 2.111 124.771 122.820 -0.266 0.000 2.388 229 A HA 0.446 4.766 4.320 0.000 0.000 0.257 229 A C -2.147 175.311 177.584 -0.210 0.000 1.095 229 A CA -1.211 50.729 52.037 -0.162 0.000 0.791 229 A CB 0.262 19.262 19.000 -0.000 0.000 1.029 229 A HN 0.194 nan 8.150 nan 0.000 0.489 230 P HA 0.147 nan 4.420 nan 0.000 0.276 230 P C -1.124 175.980 177.300 -0.327 0.000 1.244 230 P CA -0.263 62.687 63.100 -0.250 0.000 0.801 230 P CB 0.530 32.064 31.700 -0.276 0.000 1.006 231 W N 1.045 122.245 121.300 -0.166 0.000 2.315 231 W HA 0.348 5.008 4.660 0.000 0.000 0.316 231 W C 0.063 176.472 176.519 -0.183 0.000 1.211 231 W CA 0.165 57.482 57.345 -0.046 0.000 1.201 231 W CB 0.414 29.979 29.460 0.174 0.000 1.184 231 W HN 0.314 nan 8.180 nan 0.000 0.544 232 Y N 1.192 121.481 120.300 -0.019 0.000 2.457 232 Y HA 0.611 5.161 4.550 0.000 0.000 0.333 232 Y C -0.017 175.826 175.900 -0.095 0.000 1.119 232 Y CA -1.098 56.846 58.100 -0.260 0.000 1.143 232 Y CB 1.335 39.158 38.460 -1.062 0.000 1.230 232 Y HN -0.052 nan 8.280 nan 0.000 0.469 233 V N 1.974 122.062 119.914 0.290 0.000 2.525 233 V HA 0.723 4.843 4.120 0.000 0.000 0.299 233 V C -0.644 175.717 176.094 0.445 0.000 1.034 233 V CA -1.070 61.416 62.300 0.311 0.000 0.863 233 V CB 1.397 33.264 31.823 0.073 0.000 0.999 233 V HN 0.851 nan 8.190 nan 0.000 0.423 234 A N 4.619 127.748 122.820 0.515 0.000 2.288 234 A HA 0.874 5.194 4.320 0.000 0.000 0.320 234 A C -0.676 177.135 177.584 0.379 0.000 1.217 234 A CA -0.514 51.796 52.037 0.455 0.000 0.840 234 A CB 1.280 20.544 19.000 0.439 0.000 1.179 234 A HN 0.712 nan 8.150 nan 0.000 0.504 235 V N 2.210 122.371 119.914 0.411 0.000 2.555 235 V HA 0.489 4.609 4.120 0.000 0.000 0.302 235 V C 0.279 176.623 176.094 0.415 0.000 1.038 235 V CA -0.459 62.008 62.300 0.279 0.000 0.887 235 V CB 1.913 33.769 31.823 0.056 0.000 0.991 235 V HN 0.905 nan 8.190 nan 0.000 0.434 236 S N 2.345 118.226 115.700 0.302 0.000 2.525 236 S HA 0.922 5.392 4.470 0.000 0.000 0.290 236 S C 0.536 175.368 174.600 0.386 0.000 1.152 236 S CA 0.288 58.674 58.200 0.310 0.000 1.072 236 S CB 1.724 65.055 63.200 0.217 0.000 1.027 236 S HN 1.268 nan 8.310 nan 0.000 0.500 237 G N 0.724 109.721 108.800 0.328 0.000 2.609 237 G HA2 0.624 4.584 3.960 0.000 0.000 0.082 237 G HA3 0.624 4.584 3.960 0.000 0.000 0.082 237 G C -0.375 174.558 174.900 0.055 0.000 1.075 237 G CA 0.139 45.433 45.100 0.323 0.000 1.172 237 G HN 1.255 nan 8.290 nan 0.000 0.532 238 G N -2.099 106.763 108.800 0.103 0.000 2.320 238 G HA2 0.583 4.543 3.960 0.000 0.000 0.296 238 G HA3 0.583 4.543 3.960 0.000 0.000 0.296 238 G C -2.131 172.764 174.900 -0.008 0.000 1.306 238 G CA 0.348 45.370 45.100 -0.131 0.000 0.836 238 G HN 1.419 nan 8.290 nan 0.000 0.517 239 V N 1.415 121.273 119.914 -0.094 0.000 2.531 239 V HA 0.419 4.539 4.120 0.000 0.000 0.301 239 V C -0.107 175.955 176.094 -0.054 0.000 1.034 239 V CA -1.041 61.234 62.300 -0.042 0.000 0.865 239 V CB 1.374 33.203 31.823 0.009 0.000 0.995 239 V HN 0.744 nan 8.190 nan 0.000 0.424 240 H N 3.268 122.344 119.070 0.009 0.000 3.140 240 H HA 0.042 4.598 4.556 0.000 0.000 0.316 240 H C 1.463 176.811 175.328 0.033 0.000 0.986 240 H CA 1.868 57.945 56.048 0.049 0.000 1.397 240 H CB 0.601 30.392 29.762 0.049 0.000 1.377 240 H HN 1.122 nan 8.280 nan 0.000 0.585 241 G N 2.602 111.503 108.800 0.168 0.000 2.168 241 G HA2 -0.280 3.680 3.960 0.000 0.000 0.257 241 G HA3 -0.280 3.680 3.960 0.000 0.000 0.257 241 G C 0.726 175.647 174.900 0.036 0.000 0.997 241 G CA 0.653 45.815 45.100 0.104 0.000 0.708 241 G HN 0.516 nan 8.290 nan 0.000 0.520 242 V N -1.357 118.554 119.914 -0.006 0.000 3.279 242 V HA 0.759 4.880 4.120 0.000 0.000 0.213 242 V C 1.291 177.306 176.094 -0.132 0.000 1.335 242 V CA 1.387 63.654 62.300 -0.056 0.000 1.317 242 V CB 0.594 32.389 31.823 -0.047 0.000 1.209 242 V HN 1.922 nan 8.190 nan 0.000 0.525 243 G N 0.771 109.460 108.800 -0.186 0.000 2.353 243 G HA2 0.249 4.209 3.960 0.000 0.000 0.308 243 G HA3 0.249 4.209 3.960 0.000 0.000 0.308 243 G C -3.364 171.260 174.900 -0.460 0.000 1.418 243 G CA -0.442 44.466 45.100 -0.320 0.000 0.966 243 G HN 0.108 nan 8.290 nan 0.000 0.638 244 P HA 0.484 nan 4.420 nan 0.000 0.270 244 P C 0.004 176.559 177.300 -1.241 0.000 1.223 244 P CA 0.856 63.309 63.100 -1.077 0.000 0.785 244 P CB 1.560 32.264 31.700 -1.660 0.000 0.923 245 A N 1.243 123.440 122.820 -1.039 0.000 2.566 245 A HA 0.455 4.775 4.320 0.000 0.000 0.290 245 A C -1.643 175.693 177.584 -0.414 0.000 1.071 245 A CA -0.623 50.977 52.037 -0.728 0.000 0.658 245 A CB 1.100 19.712 19.000 -0.646 0.000 1.285 245 A HN 0.516 nan 8.150 nan 0.000 0.427 246 Q N 0.141 119.795 119.800 -0.242 0.000 2.330 246 Q HA 0.587 4.927 4.340 0.000 0.000 0.269 246 Q C -1.801 174.245 176.000 0.075 0.000 1.022 246 Q CA -0.267 55.573 55.803 0.063 0.000 0.796 246 Q CB 2.080 31.118 28.738 0.500 0.000 1.271 246 Q HN 0.534 nan 8.270 nan 0.000 0.450 247 F N 2.097 122.351 119.950 0.505 0.000 2.405 247 F HA 0.346 4.873 4.527 0.000 0.000 0.355 247 F C -0.145 175.961 175.800 0.509 0.000 1.121 247 F CA -0.859 57.490 58.000 0.583 0.000 1.112 247 F CB 0.623 40.050 39.000 0.712 0.000 1.126 247 F HN 0.313 nan 8.300 nan 0.000 0.481 248 L N 5.176 126.661 121.223 0.437 0.000 2.309 248 L HA 0.576 4.916 4.340 0.000 0.000 0.282 248 L C -1.390 175.551 176.870 0.118 0.000 1.036 248 L CA -0.666 54.292 54.840 0.198 0.000 0.806 248 L CB 0.543 42.520 42.059 -0.137 0.000 1.220 248 L HN 0.522 nan 8.230 nan 0.000 0.429 249 Y N 3.512 124.025 120.300 0.354 0.000 2.669 249 Y HA 0.807 5.357 4.550 0.000 0.000 0.335 249 Y C -0.415 175.679 175.900 0.323 0.000 1.116 249 Y CA -1.065 57.268 58.100 0.387 0.000 1.081 249 Y CB 1.808 40.525 38.460 0.428 0.000 1.297 249 Y HN 0.601 nan 8.280 nan 0.000 0.484 250 R N -0.421 120.357 120.500 0.464 0.000 2.664 250 R HA 0.343 4.683 4.340 0.000 0.000 0.266 250 R C -2.011 174.323 176.300 0.056 0.000 1.046 250 R CA -1.119 55.069 56.100 0.147 0.000 0.885 250 R CB 1.047 31.106 30.300 -0.401 0.000 1.254 250 R HN 0.662 nan 8.270 nan 0.000 0.465 251 Q N 1.926 121.574 119.800 -0.254 0.000 2.398 251 Q HA -0.101 4.239 4.340 0.000 0.000 0.329 251 Q C -0.282 175.513 176.000 -0.340 0.000 1.079 251 Q CA 0.472 55.892 55.803 -0.638 0.000 1.041 251 Q CB 0.181 28.532 28.738 -0.647 0.000 1.084 251 Q HN 0.445 nan 8.270 nan 0.000 0.386 252 N N 1.336 119.862 118.700 -0.291 0.000 2.219 252 N HA -0.077 4.663 4.740 0.000 0.000 0.263 252 N C 0.829 176.263 175.510 -0.127 0.000 1.269 252 N CA 1.650 54.629 53.050 -0.119 0.000 0.831 252 N CB 0.209 38.664 38.487 -0.052 0.000 1.059 252 N HN 0.773 nan 8.380 nan 0.000 0.475 253 G N 2.298 111.051 108.800 -0.077 0.000 2.212 253 G HA2 -0.216 3.744 3.960 0.000 0.000 0.267 253 G HA3 -0.216 3.744 3.960 0.000 0.000 0.267 253 G C 0.907 175.751 174.900 -0.092 0.000 1.002 253 G CA 0.829 45.886 45.100 -0.071 0.000 0.729 253 G HN 1.740 nan 8.290 nan 0.000 0.517 254 G N -1.060 107.661 108.800 -0.132 0.000 2.198 254 G HA2 -0.335 3.626 3.960 0.000 0.000 0.260 254 G HA3 -0.335 3.626 3.960 0.000 0.000 0.260 254 G C 0.187 174.988 174.900 -0.165 0.000 1.025 254 G CA 0.743 45.750 45.100 -0.155 0.000 0.769 254 G HN 1.363 nan 8.290 nan 0.000 0.507 255 N N 0.657 119.239 118.700 -0.197 0.000 2.439 255 N HA 0.510 5.250 4.740 0.000 0.000 0.243 255 N C 1.519 176.862 175.510 -0.279 0.000 1.088 255 N CA 0.520 53.448 53.050 -0.202 0.000 0.940 255 N CB 0.725 39.098 38.487 -0.191 0.000 1.180 255 N HN 0.451 nan 8.380 nan 0.000 0.505 256 A N 2.623 125.313 122.820 -0.217 0.000 2.131 256 A HA -0.101 4.219 4.320 0.000 0.000 0.220 256 A C 1.712 179.102 177.584 -0.323 0.000 1.158 256 A CA 1.303 53.217 52.037 -0.205 0.000 0.665 256 A CB -0.045 18.893 19.000 -0.105 0.000 0.795 256 A HN 0.595 nan 8.150 nan 0.000 0.460 257 S N -0.852 114.661 115.700 -0.312 0.000 2.556 257 S HA 0.122 4.592 4.470 0.000 0.000 0.216 257 S C 0.375 174.686 174.600 -0.482 0.000 0.970 257 S CA -0.043 57.975 58.200 -0.304 0.000 0.912 257 S CB 0.086 63.226 63.200 -0.101 0.000 0.790 257 S HN 0.596 nan 8.310 nan 0.000 0.504 258 E N 0.794 120.612 120.200 -0.637 0.000 2.014 258 E HA 0.331 4.681 4.350 0.000 0.000 0.275 258 E C -0.430 175.645 176.600 -0.876 0.000 0.997 258 E CA -0.343 55.720 56.400 -0.563 0.000 0.804 258 E CB -0.051 29.400 29.700 -0.415 0.000 1.090 258 E HN 0.168 nan 8.360 nan 0.000 0.401 259 F N 2.543 122.352 119.950 -0.236 0.000 2.678 259 F HA 0.190 4.717 4.527 0.000 0.000 0.305 259 F C 1.812 177.603 175.800 -0.015 0.000 1.090 259 F CA -0.186 57.736 58.000 -0.130 0.000 1.272 259 F CB 0.354 39.373 39.000 0.032 0.000 1.060 259 F HN 0.436 nan 8.300 nan 0.000 0.576 260 Q N -0.109 119.639 119.800 -0.087 0.000 2.134 260 Q HA 0.052 4.392 4.340 0.000 0.000 0.195 260 Q C -0.494 175.262 176.000 -0.408 0.000 0.958 260 Q CA 1.391 57.040 55.803 -0.256 0.000 0.840 260 Q CB -0.003 28.434 28.738 -0.500 0.000 0.918 260 Q HN 0.325 nan 8.270 nan 0.000 0.467 261 Y N -0.866 119.355 120.300 -0.132 0.000 2.341 261 Y HA 0.416 4.966 4.550 0.000 0.000 0.337 261 Y C -1.170 174.527 175.900 -0.338 0.000 1.014 261 Y CA -0.944 57.113 58.100 -0.073 0.000 1.111 261 Y CB 0.923 39.355 38.460 -0.048 0.000 1.194 261 Y HN 0.015 nan 8.280 nan 0.000 0.462 262 W N 3.152 124.583 121.300 0.219 0.000 2.424 262 W HA 0.413 5.074 4.660 0.000 0.000 0.318 262 W C -0.487 176.236 176.519 0.340 0.000 1.016 262 W CA -1.242 56.234 57.345 0.218 0.000 1.268 262 W CB 0.804 30.362 29.460 0.163 0.000 1.297 262 W HN 0.494 nan 8.180 nan 0.000 0.428 263 E N 1.693 122.118 120.200 0.376 0.000 2.384 263 E HA 0.039 4.389 4.350 0.000 0.000 0.266 263 E C -0.888 175.967 176.600 0.426 0.000 1.012 263 E CA -0.592 56.008 56.400 0.333 0.000 0.901 263 E CB 1.026 30.822 29.700 0.161 0.000 0.967 263 E HN 0.405 nan 8.360 nan 0.000 0.435 264 Y N 3.926 124.341 120.300 0.191 0.000 2.359 264 Y HA 0.167 4.717 4.550 0.000 0.000 0.334 264 Y C 0.057 175.927 175.900 -0.049 0.000 1.058 264 Y CA -0.904 57.122 58.100 -0.122 0.000 1.244 264 Y CB 0.706 39.121 38.460 -0.075 0.000 1.187 264 Y HN 0.626 nan 8.280 nan 0.000 0.510 265 L N 5.869 126.833 121.223 -0.432 0.000 2.640 265 L HA 0.367 4.707 4.340 0.000 0.000 0.230 265 L C 1.035 177.591 176.870 -0.524 0.000 1.123 265 L CA 0.382 55.030 54.840 -0.320 0.000 0.900 265 L CB -0.614 41.416 42.059 -0.048 0.000 1.146 265 L HN 1.006 nan 8.230 nan 0.000 0.484 266 G N 0.858 108.837 108.800 -1.369 0.000 2.631 266 G HA2 -0.192 3.768 3.960 0.000 0.000 0.504 266 G HA3 -0.192 3.768 3.960 0.000 0.000 0.504 266 G C -0.509 174.331 174.900 -0.100 0.000 1.306 266 G CA -0.808 43.776 45.100 -0.861 0.000 0.897 266 G HN 0.236 nan 8.290 nan 0.000 0.520 267 E N 1.321 121.628 120.200 0.179 0.000 1.856 267 E HA 0.135 4.485 4.350 0.000 0.000 0.263 267 E C 1.314 178.081 176.600 0.279 0.000 1.137 267 E CA -0.348 56.199 56.400 0.246 0.000 1.007 267 E CB 0.021 29.799 29.700 0.130 0.000 1.117 267 E HN 0.577 nan 8.360 nan 0.000 0.438 268 W N 3.713 125.075 121.300 0.105 0.000 2.538 268 W HA -0.121 4.539 4.660 0.000 0.000 0.254 268 W C -0.378 176.304 176.519 0.273 0.000 1.249 268 W CA -0.003 57.430 57.345 0.147 0.000 1.253 268 W CB -0.444 29.108 29.460 0.154 0.000 1.130 268 W HN 0.449 nan 8.180 nan 0.000 0.618 269 W N 3.573 124.727 121.300 -0.244 0.000 3.216 269 W HA 0.364 5.024 4.660 0.000 0.000 0.335 269 W C -1.441 174.956 176.519 -0.203 0.000 1.077 269 W CA -0.957 56.145 57.345 -0.404 0.000 1.252 269 W CB 0.565 29.559 29.460 -0.776 0.000 1.312 269 W HN -0.023 nan 8.180 nan 0.000 0.446 270 Q N 3.827 123.571 119.800 -0.093 0.000 2.418 270 Q HA 0.574 4.914 4.340 0.000 0.000 0.282 270 Q C -1.613 174.062 176.000 -0.541 0.000 1.044 270 Q CA -0.912 54.594 55.803 -0.494 0.000 0.813 270 Q CB 3.204 31.767 28.738 -0.293 0.000 1.428 270 Q HN 0.307 nan 8.270 nan 0.000 0.402 271 E N 0.526 120.306 120.200 -0.701 0.000 2.367 271 E HA 0.595 4.945 4.350 0.000 0.000 0.273 271 E C -1.085 175.295 176.600 -0.367 0.000 0.903 271 E CA -0.816 55.270 56.400 -0.524 0.000 0.764 271 E CB 2.247 31.481 29.700 -0.776 0.000 1.252 271 E HN 0.799 nan 8.360 nan 0.000 0.446 272 A N 1.235 123.934 122.820 -0.202 0.000 2.445 272 A HA 0.246 4.566 4.320 0.000 0.000 0.242 272 A C 0.222 177.677 177.584 -0.215 0.000 1.075 272 A CA -0.002 51.934 52.037 -0.168 0.000 0.777 272 A CB -0.251 18.693 19.000 -0.092 0.000 1.013 272 A HN 0.485 nan 8.150 nan 0.000 0.493 273 T N 2.844 117.255 114.554 -0.239 0.000 2.819 273 T HA -0.004 4.346 4.350 0.000 0.000 0.282 273 T C 1.089 175.524 174.700 -0.442 0.000 1.013 273 T CA 1.505 63.395 62.100 -0.351 0.000 1.159 273 T CB -0.366 68.365 68.868 -0.228 0.000 1.007 273 T HN 0.973 nan 8.240 nan 0.000 0.514 274 N N 1.388 119.667 118.700 -0.702 0.000 2.678 274 N HA -0.217 4.523 4.740 0.000 0.000 0.249 274 N C 0.327 175.667 175.510 -0.285 0.000 1.119 274 N CA 0.957 53.606 53.050 -0.668 0.000 0.718 274 N CB -1.045 36.877 38.487 -0.942 0.000 1.060 274 N HN 0.817 nan 8.380 nan 0.000 0.552 275 S N -1.745 113.882 115.700 -0.123 0.000 2.640 275 S HA 0.725 5.195 4.470 0.000 0.000 0.262 275 S C 0.380 174.994 174.600 0.024 0.000 1.232 275 S CA 0.048 58.257 58.200 0.015 0.000 0.988 275 S CB 1.777 65.054 63.200 0.128 0.000 1.034 275 S HN 0.888 nan 8.310 nan 0.000 0.569 276 S N -0.912 114.786 115.700 -0.003 0.000 2.550 276 S HA 0.382 4.852 4.470 0.000 0.000 0.270 276 S C -1.193 173.333 174.600 -0.122 0.000 1.145 276 S CA -0.976 57.038 58.200 -0.310 0.000 0.852 276 S CB 0.624 63.677 63.200 -0.246 0.000 1.119 276 S HN 0.957 nan 8.310 nan 0.000 0.465 277 W N 3.095 124.075 121.300 -0.533 0.000 2.308 277 W HA 0.436 5.096 4.660 0.000 0.000 0.324 277 W C 0.528 176.987 176.519 -0.100 0.000 1.387 277 W CA 1.656 58.895 57.345 -0.176 0.000 1.250 277 W CB -0.006 29.267 29.460 -0.312 0.000 1.257 277 W HN 1.635 nan 8.180 nan 0.000 0.554 278 G N 4.838 113.207 108.800 -0.718 0.000 2.712 278 G HA2 -0.264 3.696 3.960 0.000 0.000 0.686 278 G HA3 -0.264 3.696 3.960 0.000 0.000 0.686 278 G C 0.179 174.928 174.900 -0.252 0.000 1.321 278 G CA -0.243 44.536 45.100 -0.535 0.000 0.813 278 G HN 0.618 nan 8.290 nan 0.000 0.599 279 D N 0.477 120.765 120.400 -0.188 0.000 2.378 279 D HA 0.011 4.651 4.640 0.000 0.000 0.227 279 D C 1.476 177.734 176.300 -0.071 0.000 1.012 279 D CA 1.500 55.433 54.000 -0.112 0.000 0.905 279 D CB 0.423 41.169 40.800 -0.090 0.000 0.895 279 D HN 0.742 nan 8.370 nan 0.000 0.532 280 E N -1.050 119.112 120.200 -0.063 0.000 2.753 280 E HA 0.216 4.566 4.350 0.000 0.000 0.218 280 E C 0.552 177.125 176.600 -0.044 0.000 0.956 280 E CA -0.117 56.257 56.400 -0.043 0.000 1.244 280 E CB 1.392 31.076 29.700 -0.027 0.000 1.114 280 E HN 0.070 nan 8.360 nan 0.000 0.530 281 G N 2.055 110.823 108.800 -0.053 0.000 2.338 281 G HA2 -0.314 3.646 3.960 0.000 0.000 0.296 281 G HA3 -0.314 3.646 3.960 0.000 0.000 0.296 281 G C 0.659 175.558 174.900 -0.001 0.000 1.040 281 G CA 1.052 46.124 45.100 -0.047 0.000 1.004 281 G HN 0.259 nan 8.290 nan 0.000 0.509 282 T N -1.534 113.020 114.554 0.000 0.000 2.983 282 T HA 0.072 4.422 4.350 0.000 0.000 0.250 282 T C 1.852 176.472 174.700 -0.135 0.000 1.037 282 T CA 1.631 63.646 62.100 -0.142 0.000 1.142 282 T CB -0.032 68.640 68.868 -0.325 0.000 0.876 282 T HN 0.553 nan 8.240 nan 0.000 0.455 283 W N 1.210 122.668 121.300 0.263 0.000 2.907 283 W HA 0.611 5.271 4.660 0.000 0.000 0.271 283 W C 1.407 178.139 176.519 0.354 0.000 1.253 283 W CA -0.151 57.441 57.345 0.413 0.000 1.501 283 W CB 0.509 30.154 29.460 0.307 0.000 1.047 283 W HN 0.095 nan 8.180 nan 0.000 0.610 284 A N 0.144 123.143 122.820 0.299 0.000 2.795 284 A HA 0.650 4.970 4.320 0.000 0.000 0.282 284 A C 1.017 178.354 177.584 -0.411 0.000 0.964 284 A CA 0.209 52.135 52.037 -0.184 0.000 1.045 284 A CB -0.846 17.925 19.000 -0.382 0.000 1.174 284 A HN 0.320 nan 8.150 nan 0.000 0.493 285 G N 1.194 109.966 108.800 -0.045 0.000 2.627 285 G HA2 -0.288 3.672 3.960 0.000 0.000 0.312 285 G HA3 -0.288 3.672 3.960 0.000 0.000 0.312 285 G C 0.111 174.851 174.900 -0.267 0.000 1.299 285 G CA 0.723 45.791 45.100 -0.054 0.000 0.989 285 G HN 0.887 nan 8.290 nan 0.000 0.547 286 R N -1.472 118.847 120.500 -0.301 0.000 2.854 286 R HA 0.446 4.786 4.340 0.000 0.000 0.271 286 R C 0.594 176.696 176.300 -0.330 0.000 0.994 286 R CA -0.627 55.255 56.100 -0.362 0.000 0.945 286 R CB 1.285 31.464 30.300 -0.202 0.000 1.194 286 R HN 0.582 nan 8.270 nan 0.000 0.476 287 W N 1.038 122.291 121.300 -0.079 0.000 2.595 287 W HA 0.031 4.691 4.660 0.000 0.000 0.257 287 W C 1.346 177.792 176.519 -0.121 0.000 1.267 287 W CA 0.756 58.097 57.345 -0.008 0.000 1.300 287 W CB 0.024 29.459 29.460 -0.041 0.000 1.120 287 W HN 1.011 nan 8.180 nan 0.000 0.618 288 G N 0.789 109.522 108.800 -0.113 0.000 2.569 288 G HA2 -0.362 3.598 3.960 0.000 0.000 0.259 288 G HA3 -0.362 3.598 3.960 0.000 0.000 0.259 288 G C -0.106 174.402 174.900 -0.654 0.000 1.263 288 G CA 0.433 45.324 45.100 -0.348 0.000 0.928 288 G HN 0.212 nan 8.290 nan 0.000 0.572 289 F N 1.033 120.608 119.950 -0.626 0.000 2.721 289 F HA 0.433 4.960 4.527 0.000 0.000 0.301 289 F C 1.060 176.416 175.800 -0.741 0.000 1.096 289 F CA 0.579 58.063 58.000 -0.859 0.000 1.308 289 F CB 0.599 38.556 39.000 -1.738 0.000 1.086 289 F HN 0.558 nan 8.300 nan 0.000 0.587 290 N N -0.970 117.484 118.700 -0.410 0.000 2.647 290 N HA 0.256 4.996 4.740 0.000 0.000 0.259 290 N C -1.699 173.835 175.510 0.040 0.000 1.098 290 N CA -0.399 52.516 53.050 -0.224 0.000 0.984 290 N CB 0.995 39.420 38.487 -0.103 0.000 1.683 290 N HN -0.286 nan 8.380 nan 0.000 0.501 291 F N 1.361 121.248 119.950 -0.104 0.000 2.385 291 F HA 0.522 5.049 4.527 0.000 0.000 0.336 291 F C 0.595 176.399 175.800 0.008 0.000 1.100 291 F CA -0.421 57.529 58.000 -0.083 0.000 1.116 291 F CB 1.144 40.035 39.000 -0.183 0.000 1.166 291 F HN 0.381 nan 8.300 nan 0.000 0.511 292 E N -0.463 119.847 120.200 0.184 0.000 2.367 292 E HA 0.333 4.683 4.350 0.000 0.000 0.273 292 E C -0.691 175.905 176.600 -0.007 0.000 0.903 292 E CA -0.873 55.597 56.400 0.116 0.000 0.764 292 E CB 2.068 31.866 29.700 0.162 0.000 1.252 292 E HN 0.626 nan 8.360 nan 0.000 0.446 293 T N -1.271 113.293 114.554 0.016 0.000 3.549 293 T HA -0.192 4.158 4.350 0.000 0.000 0.398 293 T C 0.277 174.950 174.700 -0.045 0.000 0.766 293 T CA 0.298 62.394 62.100 -0.006 0.000 2.007 293 T CB -2.068 66.762 68.868 -0.063 0.000 1.727 293 T HN 0.703 nan 8.240 nan 0.000 0.693 294 G N 1.111 109.902 108.800 -0.015 0.000 2.403 294 G HA2 0.537 4.497 3.960 0.000 0.000 0.259 294 G HA3 0.537 4.497 3.960 0.000 0.000 0.259 294 G C -0.193 174.563 174.900 -0.240 0.000 1.244 294 G CA -0.729 44.315 45.100 -0.094 0.000 0.849 294 G HN 0.632 nan 8.290 nan 0.000 0.532 295 N N -0.035 118.376 118.700 -0.482 0.000 2.284 295 N HA 0.522 5.262 4.740 0.000 0.000 0.300 295 N C -0.786 174.187 175.510 -0.895 0.000 1.047 295 N CA -0.498 51.832 53.050 -1.200 0.000 0.821 295 N CB 2.459 40.488 38.487 -0.764 0.000 1.337 295 N HN 0.230 nan 8.380 nan 0.000 0.482 296 V N 2.725 122.035 119.914 -1.007 0.000 2.384 296 V HA 0.518 4.638 4.120 0.000 0.000 0.287 296 V C -0.631 175.105 176.094 -0.598 0.000 1.020 296 V CA -0.656 61.195 62.300 -0.748 0.000 0.850 296 V CB 0.870 32.003 31.823 -1.150 0.000 0.987 296 V HN 0.406 nan 8.190 nan 0.000 0.436 297 L N 4.722 125.519 121.223 -0.709 0.000 2.303 297 L HA 0.695 5.035 4.340 0.000 0.000 0.266 297 L C -0.820 175.528 176.870 -0.870 0.000 1.011 297 L CA -0.433 54.070 54.840 -0.562 0.000 0.818 297 L CB 1.568 43.253 42.059 -0.624 0.000 1.326 297 L HN 0.435 nan 8.230 nan 0.000 0.435 298 F N 2.123 121.938 119.950 -0.224 0.000 2.646 298 F HA 0.546 5.073 4.527 0.000 0.000 0.364 298 F C -0.807 174.761 175.800 -0.388 0.000 1.137 298 F CA -0.510 57.307 58.000 -0.304 0.000 1.085 298 F CB 0.910 39.683 39.000 -0.379 0.000 1.331 298 F HN 0.039 nan 8.300 nan 0.000 0.472 299 L N 2.251 123.447 121.223 -0.046 0.000 2.334 299 L HA 0.797 5.137 4.340 0.000 0.000 0.275 299 L C 0.550 177.421 176.870 0.001 0.000 1.036 299 L CA -0.417 54.365 54.840 -0.096 0.000 0.807 299 L CB 1.686 43.513 42.059 -0.387 0.000 1.231 299 L HN 0.621 nan 8.230 nan 0.000 0.438 300 T N -3.107 111.438 114.554 -0.015 0.000 2.883 300 T HA 0.415 4.765 4.350 0.000 0.000 0.284 300 T C 0.573 175.269 174.700 -0.006 0.000 1.041 300 T CA -0.681 61.429 62.100 0.016 0.000 1.007 300 T CB 1.041 69.925 68.868 0.027 0.000 1.220 300 T HN 0.567 nan 8.240 nan 0.000 0.552 301 E N -0.095 120.110 120.200 0.008 0.000 2.478 301 E HA -0.020 4.330 4.350 0.000 0.000 0.198 301 E C 0.851 177.448 176.600 -0.005 0.000 1.046 301 E CA 0.673 57.072 56.400 -0.001 0.000 0.870 301 E CB 0.116 29.822 29.700 0.010 0.000 0.818 301 E HN 0.599 nan 8.360 nan 0.000 0.527 302 E N -1.150 119.053 120.200 0.005 0.000 2.453 302 E HA 0.198 4.548 4.350 0.000 0.000 0.211 302 E C 0.659 177.270 176.600 0.019 0.000 0.897 302 E CA 0.470 56.876 56.400 0.010 0.000 1.063 302 E CB 1.431 31.143 29.700 0.021 0.000 1.080 302 E HN 0.190 nan 8.360 nan 0.000 0.512 303 G N -0.841 107.978 108.800 0.032 0.000 2.609 303 G HA2 0.004 3.964 3.960 0.000 0.000 0.082 303 G HA3 0.004 3.964 3.960 0.000 0.000 0.082 303 G C -1.506 173.470 174.900 0.127 0.000 1.075 303 G CA -0.667 44.477 45.100 0.074 0.000 1.172 303 G HN 0.102 nan 8.290 nan 0.000 0.532 304 H N 1.215 120.346 119.070 0.101 0.000 2.495 304 H HA 0.668 5.224 4.556 0.000 0.000 0.348 304 H C -1.836 173.593 175.328 0.169 0.000 1.113 304 H CA -0.130 56.011 56.048 0.157 0.000 1.195 304 H CB 2.274 32.185 29.762 0.247 0.000 1.521 304 H HN 0.439 nan 8.280 nan 0.000 0.509 305 D N 6.427 126.765 120.400 -0.103 0.000 2.452 305 D HA 0.101 4.741 4.640 0.000 0.000 0.226 305 D C -2.241 174.003 176.300 -0.093 0.000 1.366 305 D CA -1.368 52.656 54.000 0.041 0.000 0.986 305 D CB 2.382 43.216 40.800 0.057 0.000 1.420 305 D HN 0.301 nan 8.370 nan 0.000 0.583 306 P HA -0.104 nan 4.420 nan 0.000 0.234 306 P C 0.902 177.836 177.300 -0.609 0.000 1.167 306 P CA 0.751 63.614 63.100 -0.396 0.000 0.763 306 P CB 0.726 32.363 31.700 -0.105 0.000 0.835 307 Q N 0.493 120.142 119.800 -0.251 0.000 2.387 307 Q HA -0.012 4.328 4.340 0.000 0.000 0.208 307 Q C 1.748 177.666 176.000 -0.137 0.000 0.935 307 Q CA 1.554 57.219 55.803 -0.231 0.000 0.891 307 Q CB 0.122 28.938 28.738 0.131 0.000 1.007 307 Q HN 0.204 nan 8.270 nan 0.000 0.548 308 T N -2.999 111.528 114.554 -0.045 0.000 2.990 308 T HA 0.323 4.673 4.350 0.000 0.000 0.250 308 T C 0.897 175.607 174.700 0.017 0.000 1.041 308 T CA 0.168 62.264 62.100 -0.007 0.000 1.010 308 T CB 0.395 69.277 68.868 0.023 0.000 1.003 308 T HN 0.242 nan 8.240 nan 0.000 0.499 309 G N 1.196 110.011 108.800 0.024 0.000 2.614 309 G HA2 0.372 4.332 3.960 0.000 0.000 0.239 309 G HA3 0.372 4.332 3.960 0.000 0.000 0.239 309 G C -0.508 174.483 174.900 0.152 0.000 1.240 309 G CA -0.534 44.612 45.100 0.075 0.000 0.842 309 G HN 0.576 nan 8.290 nan 0.000 0.584 310 E N -0.213 120.088 120.200 0.168 0.000 2.313 310 E HA 0.312 4.662 4.350 0.000 0.000 0.272 310 E C -0.240 176.443 176.600 0.138 0.000 1.038 310 E CA -0.765 55.724 56.400 0.148 0.000 0.863 310 E CB 1.128 30.914 29.700 0.144 0.000 1.060 310 E HN 0.152 nan 8.360 nan 0.000 0.402 311 V N 4.849 124.756 119.914 -0.011 0.000 2.479 311 V HA 0.153 4.273 4.120 0.000 0.000 0.281 311 V C -0.343 175.589 176.094 -0.271 0.000 1.031 311 V CA 0.414 62.587 62.300 -0.212 0.000 1.038 311 V CB -0.507 31.268 31.823 -0.080 0.000 0.981 311 V HN 0.501 nan 8.190 nan 0.000 0.478 312 F N 3.170 122.869 119.950 -0.418 0.000 2.563 312 F HA 0.738 5.265 4.527 0.000 0.000 0.316 312 F C -0.166 175.346 175.800 -0.479 0.000 1.076 312 F CA -0.792 57.027 58.000 -0.302 0.000 0.921 312 F CB 2.387 41.232 39.000 -0.258 0.000 1.209 312 F HN 0.160 nan 8.300 nan 0.000 0.462 313 V N 1.316 121.096 119.914 -0.222 0.000 2.577 313 V HA 0.505 4.625 4.120 0.000 0.000 0.303 313 V C -0.567 175.450 176.094 -0.128 0.000 1.042 313 V CA -0.829 61.261 62.300 -0.350 0.000 0.872 313 V CB 2.133 33.576 31.823 -0.634 0.000 0.998 313 V HN 0.819 nan 8.190 nan 0.000 0.423 314 T N 3.856 118.319 114.554 -0.152 0.000 2.859 314 T HA 0.929 5.279 4.350 0.000 0.000 0.281 314 T C -0.697 173.920 174.700 -0.137 0.000 1.005 314 T CA -0.615 61.452 62.100 -0.056 0.000 1.025 314 T CB 1.705 70.568 68.868 -0.008 0.000 0.977 314 T HN 0.977 nan 8.240 nan 0.000 0.458 315 L N -0.824 120.314 121.223 -0.142 0.000 2.775 315 L HA 0.925 5.265 4.340 0.000 0.000 0.263 315 L C -0.503 176.235 176.870 -0.220 0.000 1.017 315 L CA -1.332 53.379 54.840 -0.216 0.000 0.891 315 L CB 1.351 43.193 42.059 -0.361 0.000 1.482 315 L HN 0.910 nan 8.230 nan 0.000 0.410 316 G N -0.042 108.607 108.800 -0.251 0.000 2.400 316 G HA2 0.683 4.643 3.960 0.000 0.000 0.333 316 G HA3 0.683 4.643 3.960 0.000 0.000 0.333 316 G C -0.681 174.264 174.900 0.075 0.000 1.143 316 G CA -0.116 44.851 45.100 -0.222 0.000 0.914 316 G HN 0.931 nan 8.290 nan 0.000 0.480 317 T N -1.012 113.686 114.554 0.240 0.000 2.861 317 T HA 0.602 4.952 4.350 0.000 0.000 0.287 317 T C -0.662 174.114 174.700 0.126 0.000 1.003 317 T CA -0.831 61.395 62.100 0.211 0.000 0.977 317 T CB 2.395 71.363 68.868 0.166 0.000 0.996 317 T HN 0.445 nan 8.240 nan 0.000 0.448 318 E N 1.454 121.665 120.200 0.019 0.000 2.134 318 E HA 0.558 4.908 4.350 0.000 0.000 0.278 318 E C 0.194 176.711 176.600 -0.138 0.000 0.959 318 E CA -0.997 55.314 56.400 -0.149 0.000 0.783 318 E CB 1.626 31.276 29.700 -0.084 0.000 1.095 318 E HN 0.863 nan 8.360 nan 0.000 0.399 319 G N 1.059 109.802 108.800 -0.095 0.000 2.735 319 G HA2 0.603 4.563 3.960 0.000 0.000 0.301 319 G HA3 0.603 4.563 3.960 0.000 0.000 0.301 319 G C -0.896 174.095 174.900 0.152 0.000 1.279 319 G CA -0.488 44.661 45.100 0.082 0.000 1.019 319 G HN 0.371 nan 8.290 nan 0.000 0.497 320 S N -2.171 113.685 115.700 0.260 0.000 2.565 320 S HA 0.636 5.106 4.470 0.000 0.000 0.274 320 S C 0.072 174.793 174.600 0.202 0.000 1.144 320 S CA 0.140 58.454 58.200 0.190 0.000 0.849 320 S CB 0.947 64.242 63.200 0.159 0.000 1.103 320 S HN 1.396 nan 8.310 nan 0.000 0.455 321 G N 1.415 110.294 108.800 0.131 0.000 2.532 321 G HA2 0.676 4.636 3.960 0.000 0.000 0.291 321 G HA3 0.676 4.636 3.960 0.000 0.000 0.291 321 G C -1.097 173.868 174.900 0.107 0.000 1.349 321 G CA -0.734 44.434 45.100 0.113 0.000 1.038 321 G HN 0.751 nan 8.290 nan 0.000 0.518 322 L N 1.232 122.508 121.223 0.089 0.000 2.346 322 L HA 0.405 4.745 4.340 0.000 0.000 0.274 322 L C -1.565 175.335 176.870 0.050 0.000 1.007 322 L CA -1.534 53.352 54.840 0.076 0.000 0.818 322 L CB 1.885 43.995 42.059 0.085 0.000 1.284 322 L HN 0.466 nan 8.230 nan 0.000 0.424 323 P HA 0.306 nan 4.420 nan 0.000 0.274 323 P C -0.700 176.618 177.300 0.029 0.000 1.231 323 P CA -0.534 62.587 63.100 0.036 0.000 0.790 323 P CB 1.165 32.878 31.700 0.022 0.000 0.951 324 I N 1.329 121.912 120.570 0.023 0.000 2.588 324 I HA 0.030 4.200 4.170 0.000 0.000 0.283 324 I C 0.423 176.514 176.117 -0.043 0.000 1.119 324 I CA -0.528 60.769 61.300 -0.005 0.000 1.419 324 I CB 0.845 38.832 38.000 -0.021 0.000 1.394 324 I HN 0.082 nan 8.210 nan 0.000 0.562 325 V N 8.764 128.639 119.914 -0.064 0.000 2.259 325 V HA 0.211 4.332 4.120 0.000 0.000 0.267 325 V C -2.084 173.903 176.094 -0.179 0.000 1.051 325 V CA -1.724 60.523 62.300 -0.090 0.000 0.830 325 V CB 0.944 32.733 31.823 -0.058 0.000 1.080 325 V HN 0.624 nan 8.190 nan 0.000 0.467 326 P HA -0.061 nan 4.420 nan 0.000 0.261 326 P C 0.482 177.553 177.300 -0.383 0.000 1.158 326 P CA 0.843 63.766 63.100 -0.296 0.000 0.758 326 P CB 0.102 31.690 31.700 -0.188 0.000 0.763 327 Q N -1.785 117.595 119.800 -0.700 0.000 2.429 327 Q HA -0.140 4.200 4.340 0.000 0.000 0.232 327 Q C -0.798 174.691 176.000 -0.851 0.000 0.724 327 Q CA 0.363 55.577 55.803 -0.982 0.000 1.287 327 Q CB -1.763 26.720 28.738 -0.425 0.000 1.429 327 Q HN 0.267 nan 8.270 nan 0.000 0.721 328 V N 0.883 120.431 119.914 -0.609 0.000 2.525 328 V HA 0.412 4.532 4.120 0.000 0.000 0.299 328 V C -0.106 176.015 176.094 0.044 0.000 1.034 328 V CA -0.483 61.703 62.300 -0.191 0.000 0.863 328 V CB 2.130 33.903 31.823 -0.083 0.000 0.999 328 V HN 0.062 nan 8.190 nan 0.000 0.423 329 S N 2.193 118.021 115.700 0.214 0.000 2.461 329 S HA 0.183 4.653 4.470 0.000 0.000 0.322 329 S C 1.173 175.796 174.600 0.038 0.000 1.063 329 S CA -0.065 58.266 58.200 0.218 0.000 1.120 329 S CB 1.365 64.626 63.200 0.101 0.000 0.968 329 S HN 1.002 nan 8.310 nan 0.000 0.467 330 S N 2.800 118.541 115.700 0.069 0.000 2.453 330 S HA 0.117 4.587 4.470 0.000 0.000 0.231 330 S C 0.569 175.190 174.600 0.034 0.000 1.005 330 S CA 0.455 58.709 58.200 0.091 0.000 0.949 330 S CB -0.161 63.100 63.200 0.102 0.000 0.774 330 S HN 0.549 nan 8.310 nan 0.000 0.510 331 I N 2.087 122.579 120.570 -0.130 0.000 2.498 331 I HA 0.400 4.570 4.170 0.000 0.000 0.290 331 I C -1.280 174.532 176.117 -0.507 0.000 1.032 331 I CA -0.696 60.483 61.300 -0.202 0.000 1.073 331 I CB 1.405 39.372 38.000 -0.055 0.000 1.251 331 I HN 0.155 nan 8.210 nan 0.000 0.426 332 H N 3.471 122.235 119.070 -0.511 0.000 2.736 332 H HA 0.361 4.917 4.556 0.000 0.000 0.271 332 H C -0.973 174.244 175.328 -0.185 0.000 1.184 332 H CA -0.532 55.095 56.048 -0.702 0.000 1.378 332 H CB 0.687 29.449 29.762 -1.666 0.000 1.428 332 H HN 0.322 nan 8.280 nan 0.000 0.500 333 D N 2.473 122.945 120.400 0.120 0.000 2.264 333 D HA 0.089 4.729 4.640 0.000 0.000 0.250 333 D C 0.083 176.495 176.300 0.188 0.000 1.113 333 D CA -0.514 53.584 54.000 0.164 0.000 0.871 333 D CB 1.354 42.109 40.800 -0.074 0.000 1.167 333 D HN 0.326 nan 8.370 nan 0.000 0.447 334 M N 4.210 123.908 119.600 0.163 0.000 2.495 334 M HA 0.267 4.747 4.480 0.000 0.000 0.346 334 M C -1.451 174.763 176.300 -0.143 0.000 1.251 334 M CA -0.246 55.100 55.300 0.077 0.000 1.249 334 M CB -0.368 32.350 32.600 0.197 0.000 1.229 334 M HN 0.220 nan 8.290 nan 0.000 0.450 335 L N 3.573 124.628 121.223 -0.280 0.000 2.416 335 L HA 0.749 5.089 4.340 0.000 0.000 0.263 335 L C -0.523 176.294 176.870 -0.089 0.000 1.065 335 L CA -0.834 53.768 54.840 -0.396 0.000 0.798 335 L CB 1.268 43.013 42.059 -0.523 0.000 1.267 335 L HN 0.701 nan 8.230 nan 0.000 0.467 336 W N -0.244 120.944 121.300 -0.187 0.000 3.296 336 W HA 0.817 5.477 4.660 0.000 0.000 0.314 336 W C -1.863 174.605 176.519 -0.085 0.000 1.238 336 W CA -1.177 56.112 57.345 -0.094 0.000 1.193 336 W CB 1.371 30.823 29.460 -0.013 0.000 1.383 336 W HN 0.607 nan 8.180 nan 0.000 0.545 337 A N 1.496 124.394 122.820 0.131 0.000 2.539 337 A HA 0.953 5.273 4.320 0.000 0.000 0.296 337 A C -1.610 176.009 177.584 0.059 0.000 1.073 337 A CA -0.451 51.508 52.037 -0.130 0.000 0.700 337 A CB 1.482 20.406 19.000 -0.127 0.000 1.296 337 A HN 1.522 nan 8.150 nan 0.000 0.405 338 A N -0.056 122.656 122.820 -0.180 0.000 2.435 338 A HA 1.014 5.334 4.320 0.000 0.000 0.304 338 A C 0.112 177.416 177.584 -0.466 0.000 1.064 338 A CA 0.018 51.740 52.037 -0.524 0.000 0.727 338 A CB 1.622 20.000 19.000 -1.037 0.000 1.284 338 A HN 2.612 nan 8.150 nan 0.000 0.415 339 G N -0.182 108.356 108.800 -0.438 0.000 2.364 339 G HA2 0.503 4.463 3.960 0.000 0.000 0.286 339 G HA3 0.503 4.463 3.960 0.000 0.000 0.286 339 G C -1.556 173.115 174.900 -0.382 0.000 1.241 339 G CA -0.007 44.751 45.100 -0.571 0.000 0.887 339 G HN 0.932 nan 8.290 nan 0.000 0.484 340 E N -1.190 118.750 120.200 -0.433 0.000 2.320 340 E HA 0.711 5.061 4.350 0.000 0.000 0.264 340 E C -1.049 175.435 176.600 -0.193 0.000 0.923 340 E CA -0.598 55.672 56.400 -0.218 0.000 0.796 340 E CB 2.215 31.814 29.700 -0.169 0.000 1.262 340 E HN 0.523 nan 8.360 nan 0.000 0.428 341 V N 2.137 122.036 119.914 -0.025 0.000 2.495 341 V HA 0.873 4.993 4.120 0.000 0.000 0.298 341 V C 0.409 176.520 176.094 0.029 0.000 1.031 341 V CA -0.050 62.284 62.300 0.056 0.000 0.871 341 V CB 1.305 33.267 31.823 0.232 0.000 0.988 341 V HN 0.732 nan 8.190 nan 0.000 0.432 342 G N 1.972 110.784 108.800 0.020 0.000 3.015 342 G HA2 0.595 4.555 3.960 0.000 0.000 0.281 342 G HA3 0.595 4.555 3.960 0.000 0.000 0.281 342 G C -0.827 174.097 174.900 0.041 0.000 1.386 342 G CA -0.775 44.333 45.100 0.013 0.000 0.959 342 G HN 0.607 nan 8.290 nan 0.000 0.522 343 V N 0.015 119.946 119.914 0.029 0.000 2.999 343 V HA 0.449 4.569 4.120 0.000 0.000 0.307 343 V C 1.485 177.602 176.094 0.037 0.000 1.084 343 V CA 0.632 62.955 62.300 0.038 0.000 1.155 343 V CB 1.279 33.117 31.823 0.025 0.000 0.975 343 V HN 1.128 nan 8.190 nan 0.000 0.490 344 G N 4.431 113.259 108.800 0.047 0.000 3.084 344 G HA2 0.291 4.251 3.960 0.000 0.000 0.254 344 G HA3 0.291 4.251 3.960 0.000 0.000 0.254 344 G C 0.623 175.539 174.900 0.027 0.000 0.834 344 G CA 0.917 46.043 45.100 0.044 0.000 1.999 344 G HN 1.701 nan 8.290 nan 0.000 0.611 345 S N -0.068 115.642 115.700 0.017 0.000 2.848 345 S HA -0.292 4.178 4.470 0.000 0.000 0.633 345 S C 1.377 175.984 174.600 0.011 0.000 3.136 345 S CA 1.757 59.962 58.200 0.009 0.000 3.383 345 S CB -0.759 62.445 63.200 0.006 0.000 0.331 345 S HN 0.600 nan 8.310 nan 0.000 1.769 346 E N 0.390 120.595 120.200 0.009 0.000 2.290 346 E HA 0.066 4.416 4.350 0.000 0.000 0.197 346 E C 0.752 177.360 176.600 0.013 0.000 0.948 346 E CA 0.426 56.832 56.400 0.010 0.000 0.895 346 E CB -0.036 29.668 29.700 0.007 0.000 0.865 346 E HN 0.698 nan 8.360 nan 0.000 0.486 347 Q N 1.341 121.149 119.800 0.014 0.000 2.614 347 Q HA -0.005 4.335 4.340 0.000 0.000 0.244 347 Q C 0.210 176.223 176.000 0.022 0.000 1.097 347 Q CA 0.322 56.136 55.803 0.017 0.000 0.986 347 Q CB 0.216 28.964 28.738 0.017 0.000 1.308 347 Q HN -0.194 nan 8.270 nan 0.000 0.546 348 E N 0.192 120.408 120.200 0.027 0.000 2.127 348 E HA 0.294 4.644 4.350 0.000 0.000 0.262 348 E C -0.509 176.115 176.600 0.039 0.000 1.144 348 E CA 0.066 56.486 56.400 0.032 0.000 1.144 348 E CB -0.246 29.476 29.700 0.036 0.000 1.297 348 E HN 0.727 nan 8.360 nan 0.000 0.469 349 G N 0.988 109.808 108.800 0.033 0.000 3.392 349 G HA2 0.554 4.514 3.960 0.000 0.000 0.185 349 G HA3 0.554 4.514 3.960 0.000 0.000 0.185 349 G C -0.449 174.461 174.900 0.016 0.000 1.206 349 G CA 0.108 45.231 45.100 0.038 0.000 0.776 349 G HN 0.413 nan 8.290 nan 0.000 0.697 350 A N -0.155 122.679 122.820 0.023 0.000 2.407 350 A HA 0.470 4.790 4.320 0.000 0.000 0.248 350 A C 1.100 178.701 177.584 0.029 0.000 1.082 350 A CA 0.044 52.087 52.037 0.010 0.000 0.785 350 A CB 0.484 19.536 19.000 0.086 0.000 1.020 350 A HN 0.537 nan 8.150 nan 0.000 0.489 351 K N 0.026 120.436 120.400 0.017 0.000 2.288 351 K HA 0.064 4.384 4.320 0.000 0.000 0.201 351 K C 0.303 176.953 176.600 0.082 0.000 1.048 351 K CA 1.318 57.630 56.287 0.042 0.000 0.956 351 K CB -0.229 32.290 32.500 0.033 0.000 0.746 351 K HN 0.728 nan 8.250 nan 0.000 0.461 352 V N -2.022 117.971 119.914 0.133 0.000 3.114 352 V HA 0.491 4.611 4.120 0.000 0.000 0.308 352 V C -1.504 174.740 176.094 0.250 0.000 1.168 352 V CA -1.125 61.285 62.300 0.183 0.000 1.015 352 V CB 2.319 34.278 31.823 0.225 0.000 1.050 352 V HN -0.024 nan 8.190 nan 0.000 0.433 353 E N 1.591 121.908 120.200 0.194 0.000 2.331 353 E HA 0.531 4.881 4.350 0.000 0.000 0.275 353 E C -2.047 174.530 176.600 -0.038 0.000 0.895 353 E CA -0.504 55.956 56.400 0.101 0.000 0.753 353 E CB 3.204 32.913 29.700 0.014 0.000 1.216 353 E HN 0.737 nan 8.360 nan 0.000 0.434 354 F N 1.597 121.240 119.950 -0.512 0.000 2.411 354 F HA 0.431 4.958 4.527 0.000 0.000 0.352 354 F C -0.776 174.558 175.800 -0.778 0.000 1.123 354 F CA -0.365 57.135 58.000 -0.834 0.000 1.044 354 F CB 1.322 39.319 39.000 -1.672 0.000 1.135 354 F HN 0.172 nan 8.300 nan 0.000 0.461 355 S N 7.754 122.674 115.700 -1.300 0.000 2.566 355 S HA 0.431 4.901 4.470 0.000 0.000 0.324 355 S C -2.655 171.136 174.600 -1.348 0.000 1.081 355 S CA -1.255 56.305 58.200 -1.067 0.000 1.105 355 S CB 1.294 64.173 63.200 -0.535 0.000 0.981 355 S HN 0.415 nan 8.310 nan 0.000 0.464 356 P HA 0.119 nan 4.420 nan 0.000 0.268 356 P C 0.364 177.330 177.300 -0.558 0.000 1.204 356 P CA -0.041 62.441 63.100 -1.029 0.000 0.768 356 P CB 0.713 31.911 31.700 -0.836 0.000 0.842 357 S N 2.489 117.891 115.700 -0.497 0.000 2.520 357 S HA 0.322 4.792 4.470 0.000 0.000 0.219 357 S C 0.414 174.970 174.600 -0.073 0.000 1.028 357 S CA -0.132 57.966 58.200 -0.171 0.000 0.921 357 S CB -0.385 62.698 63.200 -0.193 0.000 0.844 357 S HN 0.526 nan 8.310 nan 0.000 0.495 358 M N -0.446 118.881 119.600 -0.455 0.000 2.605 358 M HA 0.828 5.308 4.480 0.000 0.000 0.281 358 M C -1.797 173.904 176.300 -0.997 0.000 1.166 358 M CA -0.877 54.162 55.300 -0.434 0.000 0.875 358 M CB 1.316 33.868 32.600 -0.081 0.000 1.732 358 M HN 0.144 nan 8.290 nan 0.000 0.504 359 A N 0.584 122.682 122.820 -1.203 0.000 2.610 359 A HA 1.074 5.394 4.320 0.000 0.000 0.291 359 A C -0.643 176.231 177.584 -1.184 0.000 1.086 359 A CA -0.057 51.079 52.037 -1.502 0.000 0.677 359 A CB 1.544 19.730 19.000 -1.355 0.000 1.278 359 A HN 1.846 nan 8.150 nan 0.000 0.414 360 G N -1.041 106.849 108.800 -1.517 0.000 2.510 360 G HA2 0.567 4.527 3.960 0.000 0.000 0.277 360 G HA3 0.567 4.527 3.960 0.000 0.000 0.277 360 G C -1.773 172.707 174.900 -0.700 0.000 1.223 360 G CA -0.521 44.192 45.100 -0.645 0.000 0.887 360 G HN 0.692 nan 8.290 nan 0.000 0.485 361 F N 0.235 120.000 119.950 -0.307 0.000 2.469 361 F HA 0.485 5.012 4.527 0.000 0.000 0.332 361 F C 1.079 176.968 175.800 0.147 0.000 1.103 361 F CA -0.667 57.108 58.000 -0.374 0.000 0.979 361 F CB 2.319 40.515 39.000 -1.340 0.000 1.137 361 F HN 0.359 nan 8.300 nan 0.000 0.463 362 L N 1.150 122.573 121.223 0.333 0.000 2.240 362 L HA 0.197 4.537 4.340 0.000 0.000 0.211 362 L C -0.070 176.872 176.870 0.121 0.000 1.106 362 L CA 1.674 56.658 54.840 0.240 0.000 0.793 362 L CB -0.158 42.005 42.059 0.174 0.000 0.927 362 L HN 0.536 nan 8.230 nan 0.000 0.446 363 D N -2.378 118.085 120.400 0.104 0.000 2.861 363 D HA 0.036 4.676 4.640 0.000 0.000 0.216 363 D C -0.584 175.763 176.300 0.079 0.000 1.323 363 D CA -0.360 53.666 54.000 0.044 0.000 0.917 363 D CB 0.547 41.376 40.800 0.049 0.000 1.582 363 D HN 0.069 nan 8.370 nan 0.000 0.576 364 W N 2.317 123.533 121.300 -0.140 0.000 3.180 364 W HA 0.236 4.896 4.660 0.000 0.000 0.254 364 W C 1.607 178.077 176.519 -0.082 0.000 1.318 364 W CA -0.154 57.039 57.345 -0.253 0.000 1.608 364 W CB 0.348 29.569 29.460 -0.398 0.000 1.124 364 W HN 0.363 nan 8.180 nan 0.000 0.694 365 G N 0.280 109.183 108.800 0.172 0.000 2.398 365 G HA2 -0.017 3.943 3.960 0.000 0.000 0.246 365 G HA3 -0.017 3.943 3.960 0.000 0.000 0.246 365 G C 0.287 175.350 174.900 0.272 0.000 1.289 365 G CA -0.531 44.678 45.100 0.180 0.000 0.869 365 G HN 0.209 nan 8.290 nan 0.000 0.543 366 F N 2.170 122.252 119.950 0.220 0.000 2.095 366 F HA -0.149 4.378 4.527 0.000 0.000 0.298 366 F C 2.436 178.414 175.800 0.297 0.000 1.104 366 F CA 2.151 60.328 58.000 0.296 0.000 1.232 366 F CB 0.256 39.526 39.000 0.450 0.000 0.987 366 F HN 0.363 nan 8.300 nan 0.000 0.475 367 S N 0.307 116.220 115.700 0.355 0.000 2.631 367 S HA 0.379 4.849 4.470 0.000 0.000 0.217 367 S C 0.539 175.094 174.600 -0.074 0.000 0.958 367 S CA 0.143 58.352 58.200 0.016 0.000 0.920 367 S CB -0.558 62.649 63.200 0.013 0.000 0.776 367 S HN 0.433 nan 8.310 nan 0.000 0.517 368 A N 1.376 124.257 122.820 0.101 0.000 2.301 368 A HA 0.769 5.089 4.320 0.000 0.000 0.298 368 A C -0.632 177.176 177.584 0.374 0.000 1.185 368 A CA -0.296 51.828 52.037 0.145 0.000 0.830 368 A CB 0.441 19.513 19.000 0.120 0.000 1.112 368 A HN 0.458 nan 8.150 nan 0.000 0.508 369 Y N 0.817 121.265 120.300 0.246 0.000 2.852 369 Y HA 0.393 4.943 4.550 0.000 0.000 0.350 369 Y C 0.520 176.684 175.900 0.440 0.000 1.272 369 Y CA 0.024 58.334 58.100 0.350 0.000 1.086 369 Y CB 0.561 39.307 38.460 0.476 0.000 1.408 369 Y HN 1.839 nan 8.280 nan 0.000 0.447 370 A N 0.636 123.312 122.820 -0.240 0.000 2.704 370 A HA -0.018 4.302 4.320 0.000 0.000 0.299 370 A C 0.213 177.851 177.584 0.090 0.000 1.507 370 A CA 1.002 52.971 52.037 -0.114 0.000 0.776 370 A CB -2.204 16.885 19.000 0.148 0.000 1.027 370 A HN 1.809 nan 8.150 nan 0.000 0.475 371 A N -0.511 122.362 122.820 0.089 0.000 2.546 371 A HA 0.557 4.877 4.320 0.000 0.000 0.243 371 A C 0.771 178.481 177.584 0.212 0.000 1.063 371 A CA 0.832 52.981 52.037 0.186 0.000 0.757 371 A CB 0.059 19.152 19.000 0.154 0.000 0.991 371 A HN 2.331 nan 8.150 nan 0.000 0.503 372 A N 2.704 125.733 122.820 0.347 0.000 2.332 372 A HA 0.741 5.061 4.320 0.000 0.000 0.300 372 A C 0.315 178.279 177.584 0.633 0.000 1.153 372 A CA 0.170 52.463 52.037 0.426 0.000 0.764 372 A CB 0.948 20.143 19.000 0.325 0.000 1.174 372 A HN 1.762 nan 8.150 nan 0.000 0.467 373 G N 0.557 109.708 108.800 0.585 0.000 3.013 373 G HA2 0.726 4.686 3.960 0.000 0.000 0.278 373 G HA3 0.726 4.686 3.960 0.000 0.000 0.278 373 G C -1.009 174.113 174.900 0.372 0.000 1.353 373 G CA -0.765 44.550 45.100 0.358 0.000 1.043 373 G HN 0.780 nan 8.290 nan 0.000 0.523 374 K N -1.243 119.035 120.400 -0.205 0.000 2.610 374 K HA 0.433 4.753 4.320 0.000 0.000 0.278 374 K C -1.033 175.497 176.600 -0.116 0.000 0.964 374 K CA -0.570 55.794 56.287 0.129 0.000 0.859 374 K CB 1.772 34.558 32.500 0.477 0.000 1.434 374 K HN 0.412 nan 8.250 nan 0.000 0.410 375 V N 3.512 123.520 119.914 0.157 0.000 2.585 375 V HA 0.196 4.316 4.120 0.000 0.000 0.296 375 V C -0.167 175.997 176.094 0.116 0.000 1.035 375 V CA -0.266 62.081 62.300 0.079 0.000 1.084 375 V CB 0.723 32.568 31.823 0.037 0.000 0.953 375 V HN 0.588 nan 8.190 nan 0.000 0.483 376 L N 9.647 130.881 121.223 0.017 0.000 2.301 376 L HA 0.580 4.920 4.340 0.000 0.000 0.278 376 L C -2.433 174.461 176.870 0.041 0.000 1.022 376 L CA -1.890 52.936 54.840 -0.023 0.000 0.854 376 L CB 1.291 43.199 42.059 -0.252 0.000 1.226 376 L HN 0.394 nan 8.230 nan 0.000 0.429 377 P HA 0.097 nan 4.420 nan 0.000 0.267 377 P C 0.099 177.441 177.300 0.071 0.000 1.200 377 P CA 0.085 63.250 63.100 0.110 0.000 0.772 377 P CB 0.855 32.639 31.700 0.140 0.000 0.855 378 A N 2.274 125.136 122.820 0.069 0.000 2.121 378 A HA -0.107 4.213 4.320 0.000 0.000 0.218 378 A C 1.798 179.409 177.584 0.045 0.000 1.154 378 A CA 1.695 53.759 52.037 0.046 0.000 0.679 378 A CB -1.238 17.791 19.000 0.049 0.000 0.795 378 A HN 0.575 nan 8.150 nan 0.000 0.458 379 S N 0.151 115.888 115.700 0.062 0.000 2.593 379 S HA 0.108 4.578 4.470 0.000 0.000 0.217 379 S C 0.963 175.601 174.600 0.065 0.000 0.966 379 S CA 0.310 58.547 58.200 0.061 0.000 0.914 379 S CB -0.808 62.435 63.200 0.071 0.000 0.776 379 S HN 0.698 nan 8.310 nan 0.000 0.523 380 S N 0.907 116.647 115.700 0.067 0.000 2.600 380 S HA 0.647 5.117 4.470 0.000 0.000 0.265 380 S C 1.325 175.952 174.600 0.045 0.000 1.325 380 S CA -0.290 57.955 58.200 0.075 0.000 1.002 380 S CB 0.912 64.159 63.200 0.078 0.000 0.921 380 S HN 0.485 nan 8.310 nan 0.000 0.554 381 A N 1.162 124.011 122.820 0.048 0.000 2.014 381 A HA 0.098 4.418 4.320 0.000 0.000 0.218 381 A C 2.002 179.584 177.584 -0.004 0.000 1.163 381 A CA 1.101 53.151 52.037 0.022 0.000 0.652 381 A CB -1.041 17.973 19.000 0.023 0.000 0.808 381 A HN 0.735 nan 8.150 nan 0.000 0.449 382 V N -0.328 119.582 119.914 -0.007 0.000 2.244 382 V HA -0.198 3.922 4.120 0.000 0.000 0.244 382 V C 2.740 178.803 176.094 -0.052 0.000 1.042 382 V CA 2.384 64.656 62.300 -0.047 0.000 1.006 382 V CB -0.929 30.849 31.823 -0.076 0.000 0.641 382 V HN 0.532 nan 8.190 nan 0.000 0.446 383 S N -0.684 114.993 115.700 -0.039 0.000 2.402 383 S HA -0.174 4.296 4.470 0.000 0.000 0.229 383 S C 1.962 176.549 174.600 -0.021 0.000 1.021 383 S CA 1.295 59.475 58.200 -0.033 0.000 0.974 383 S CB -0.255 62.934 63.200 -0.017 0.000 0.800 383 S HN 0.544 nan 8.310 nan 0.000 0.484 384 K N 0.733 121.127 120.400 -0.010 0.000 2.032 384 K HA -0.079 4.241 4.320 0.000 0.000 0.209 384 K C 2.342 178.931 176.600 -0.018 0.000 1.048 384 K CA 1.667 57.950 56.287 -0.007 0.000 0.927 384 K CB -0.522 31.979 32.500 0.002 0.000 0.712 384 K HN 0.258 nan 8.250 nan 0.000 0.441 385 T N 0.917 115.454 114.554 -0.027 0.000 2.708 385 T HA -0.123 4.227 4.350 0.000 0.000 0.266 385 T C 1.967 176.640 174.700 -0.044 0.000 1.037 385 T CA 1.839 63.917 62.100 -0.038 0.000 1.146 385 T CB -0.218 68.621 68.868 -0.049 0.000 0.865 385 T HN 0.362 nan 8.240 nan 0.000 0.435 386 S N 0.384 116.053 115.700 -0.051 0.000 2.603 386 S HA 0.318 4.789 4.470 0.000 0.000 0.220 386 S C 1.728 176.302 174.600 -0.042 0.000 0.967 386 S CA 0.516 58.682 58.200 -0.055 0.000 0.920 386 S CB -0.373 62.785 63.200 -0.070 0.000 0.773 386 S HN 0.756 nan 8.310 nan 0.000 0.529 387 G N 0.609 109.390 108.800 -0.031 0.000 2.160 387 G HA2 -0.235 3.725 3.960 0.000 0.000 0.251 387 G HA3 -0.235 3.725 3.960 0.000 0.000 0.251 387 G C -0.030 174.859 174.900 -0.019 0.000 1.008 387 G CA 0.099 45.186 45.100 -0.022 0.000 0.724 387 G HN 0.666 nan 8.290 nan 0.000 0.514 388 V N 0.702 120.603 119.914 -0.022 0.000 2.455 388 V HA 0.290 4.410 4.120 0.000 0.000 0.273 388 V C 1.150 177.243 176.094 -0.002 0.000 1.045 388 V CA -0.084 62.206 62.300 -0.016 0.000 0.976 388 V CB 1.528 33.335 31.823 -0.027 0.000 0.993 388 V HN 0.314 nan 8.190 nan 0.000 0.475 389 E N 2.831 123.034 120.200 0.005 0.000 2.474 389 E HA 0.085 4.435 4.350 0.000 0.000 0.195 389 E C 0.292 176.910 176.600 0.029 0.000 1.039 389 E CA 0.290 56.699 56.400 0.016 0.000 0.881 389 E CB 0.840 30.549 29.700 0.015 0.000 0.970 389 E HN 0.671 nan 8.360 nan 0.000 0.486 390 V N -1.932 118.001 119.914 0.031 0.000 3.103 390 V HA 0.505 4.625 4.120 0.000 0.000 0.318 390 V C -0.187 175.946 176.094 0.065 0.000 1.114 390 V CA -1.167 61.164 62.300 0.052 0.000 1.020 390 V CB 2.174 34.028 31.823 0.050 0.000 1.085 390 V HN -0.261 nan 8.190 nan 0.000 0.446 391 D N 1.358 121.819 120.400 0.102 0.000 2.302 391 D HA 0.535 5.175 4.640 0.000 0.000 0.248 391 D C -0.126 176.259 176.300 0.141 0.000 1.094 391 D CA 0.017 54.095 54.000 0.130 0.000 0.897 391 D CB 1.504 42.423 40.800 0.198 0.000 1.200 391 D HN 0.567 nan 8.370 nan 0.000 0.429 392 R N 0.617 121.181 120.500 0.107 0.000 2.919 392 R HA 0.458 4.798 4.340 0.000 0.000 0.260 392 R C -1.094 175.286 176.300 0.133 0.000 1.067 392 R CA -0.984 55.177 56.100 0.101 0.000 1.003 392 R CB 1.665 31.964 30.300 -0.002 0.000 1.192 392 R HN 0.412 nan 8.270 nan 0.000 0.488 393 Y N 0.800 121.111 120.300 0.020 0.000 2.338 393 Y HA 0.368 4.918 4.550 0.000 0.000 0.328 393 Y C -1.204 174.673 175.900 -0.037 0.000 0.965 393 Y CA -0.688 57.421 58.100 0.015 0.000 1.208 393 Y CB 1.308 39.820 38.460 0.087 0.000 1.132 393 Y HN 0.205 nan 8.280 nan 0.000 0.469 394 V N 5.272 124.902 119.914 -0.473 0.000 2.394 394 V HA 0.432 4.552 4.120 0.000 0.000 0.282 394 V C -0.189 175.617 176.094 -0.480 0.000 1.031 394 V CA -0.505 61.535 62.300 -0.433 0.000 0.881 394 V CB 1.430 32.956 31.823 -0.495 0.000 0.982 394 V HN 0.768 nan 8.190 nan 0.000 0.451 395 S N 4.579 120.080 115.700 -0.330 0.000 2.454 395 S HA 0.739 5.209 4.470 0.000 0.000 0.306 395 S C -1.094 173.366 174.600 -0.234 0.000 1.100 395 S CA -0.426 57.706 58.200 -0.113 0.000 1.087 395 S CB 0.524 63.787 63.200 0.104 0.000 1.019 395 S HN 0.410 nan 8.310 nan 0.000 0.480 396 F N 4.058 124.075 119.950 0.112 0.000 2.375 396 F HA 0.441 4.968 4.527 0.000 0.000 0.361 396 F C 0.076 175.994 175.800 0.197 0.000 1.117 396 F CA -0.684 57.396 58.000 0.133 0.000 1.037 396 F CB 1.493 40.571 39.000 0.130 0.000 1.192 396 F HN 0.218 nan 8.300 nan 0.000 0.452 397 V N 2.842 122.939 119.914 0.306 0.000 2.509 397 V HA 0.147 4.267 4.120 0.000 0.000 0.284 397 V C -0.530 175.783 176.094 0.365 0.000 1.047 397 V CA -0.909 61.566 62.300 0.292 0.000 0.952 397 V CB 1.284 33.222 31.823 0.191 0.000 0.988 397 V HN 0.713 nan 8.190 nan 0.000 0.469 398 W N 5.788 127.196 121.300 0.180 0.000 2.315 398 W HA 0.600 5.260 4.660 0.000 0.000 0.316 398 W C -0.776 175.826 176.519 0.137 0.000 1.211 398 W CA -1.111 56.335 57.345 0.167 0.000 1.201 398 W CB 1.202 30.782 29.460 0.201 0.000 1.184 398 W HN 0.406 nan 8.180 nan 0.000 0.544 399 L N 7.276 128.378 121.223 -0.202 0.000 2.384 399 L HA 0.251 4.591 4.340 0.000 0.000 0.261 399 L C 0.407 176.850 176.870 -0.712 0.000 1.024 399 L CA -0.263 54.327 54.840 -0.416 0.000 0.899 399 L CB 0.627 42.480 42.059 -0.343 0.000 1.243 399 L HN 0.472 nan 8.230 nan 0.000 0.449 400 T N 2.114 115.828 114.554 -1.400 0.000 2.933 400 T HA 0.172 4.522 4.350 0.000 0.000 0.306 400 T C 1.397 175.828 174.700 -0.448 0.000 1.045 400 T CA 0.782 62.069 62.100 -1.356 0.000 1.143 400 T CB 0.784 68.584 68.868 -1.781 0.000 1.003 400 T HN 0.806 nan 8.240 nan 0.000 0.540 401 G N 2.729 111.342 108.800 -0.311 0.000 2.551 401 G HA2 0.038 3.998 3.960 0.000 0.000 0.216 401 G HA3 0.038 3.998 3.960 0.000 0.000 0.216 401 G C 0.433 174.843 174.900 -0.817 0.000 1.137 401 G CA 0.505 45.291 45.100 -0.522 0.000 0.798 401 G HN 0.860 nan 8.290 nan 0.000 0.536 402 D N -1.275 118.796 120.400 -0.548 0.000 2.895 402 D HA 0.174 4.814 4.640 0.000 0.000 0.350 402 D C 0.361 176.506 176.300 -0.259 0.000 1.389 402 D CA -0.761 52.963 54.000 -0.461 0.000 0.812 402 D CB -0.717 39.897 40.800 -0.310 0.000 1.164 402 D HN 0.255 nan 8.370 nan 0.000 0.455 403 Q N 0.095 119.719 119.800 -0.292 0.000 2.451 403 Q HA -0.276 4.065 4.340 0.000 0.000 0.305 403 Q C -0.711 175.266 176.000 -0.038 0.000 1.345 403 Q CA 0.416 56.166 55.803 -0.089 0.000 0.854 403 Q CB -2.257 26.597 28.738 0.193 0.000 1.162 403 Q HN 0.557 nan 8.270 nan 0.000 0.440 404 Y N -2.217 118.007 120.300 -0.126 0.000 3.389 404 Y HA -0.325 4.225 4.550 0.000 0.000 0.213 404 Y C 0.554 176.473 175.900 0.031 0.000 1.272 404 Y CA 1.277 59.324 58.100 -0.088 0.000 1.444 404 Y CB -2.593 35.682 38.460 -0.308 0.000 1.445 404 Y HN 0.579 nan 8.280 nan 0.000 0.583 405 E N -2.228 118.027 120.200 0.092 0.000 2.791 405 E HA -0.326 4.024 4.350 0.000 0.000 0.271 405 E C 0.701 177.361 176.600 0.099 0.000 1.044 405 E CA 0.687 57.141 56.400 0.090 0.000 0.814 405 E CB -0.580 29.194 29.700 0.123 0.000 1.400 405 E HN 0.604 nan 8.360 nan 0.000 0.423 406 Q N -1.526 118.342 119.800 0.113 0.000 2.194 406 Q HA 0.314 4.654 4.340 0.000 0.000 0.214 406 Q C 0.404 176.457 176.000 0.089 0.000 0.838 406 Q CA 0.638 56.512 55.803 0.118 0.000 0.972 406 Q CB 1.101 29.947 28.738 0.180 0.000 1.131 406 Q HN 0.365 nan 8.270 nan 0.000 0.498 407 A N 1.520 124.375 122.820 0.059 0.000 2.483 407 A HA 0.016 4.336 4.320 0.000 0.000 0.238 407 A C 0.177 177.795 177.584 0.057 0.000 1.070 407 A CA -0.048 52.020 52.037 0.050 0.000 0.770 407 A CB 0.135 19.150 19.000 0.025 0.000 1.008 407 A HN 0.035 nan 8.150 nan 0.000 0.497 408 D N 1.692 122.122 120.400 0.051 0.000 2.551 408 D HA 0.367 5.007 4.640 0.000 0.000 0.223 408 D C 1.094 177.409 176.300 0.026 0.000 1.144 408 D CA 1.135 55.154 54.000 0.032 0.000 1.025 408 D CB -0.931 39.880 40.800 0.018 0.000 1.085 408 D HN 1.169 nan 8.370 nan 0.000 0.506 409 G N 3.522 112.342 108.800 0.035 0.000 2.324 409 G HA2 -0.309 3.651 3.960 0.000 0.000 0.292 409 G HA3 -0.309 3.651 3.960 0.000 0.000 0.292 409 G C 0.169 175.076 174.900 0.012 0.000 1.079 409 G CA -0.153 44.959 45.100 0.019 0.000 1.026 409 G HN 0.501 nan 8.290 nan 0.000 0.506 410 F N 1.635 121.536 119.950 -0.080 0.000 2.563 410 F HA 0.425 4.952 4.527 0.000 0.000 0.363 410 F C -0.723 175.024 175.800 -0.088 0.000 1.123 410 F CA -1.323 56.609 58.000 -0.113 0.000 1.307 410 F CB 0.759 39.654 39.000 -0.175 0.000 1.115 410 F HN 0.101 nan 8.300 nan 0.000 0.592 411 P HA 0.022 nan 4.420 nan 0.000 0.231 411 P C 0.378 177.562 177.300 -0.193 0.000 1.756 411 P CA 0.235 63.088 63.100 -0.413 0.000 0.990 411 P CB -0.194 31.242 31.700 -0.440 0.000 1.973 412 T N 0.885 115.474 114.554 0.059 0.000 2.708 412 T HA -0.159 4.191 4.350 0.000 0.000 0.266 412 T C 1.973 176.702 174.700 0.049 0.000 1.037 412 T CA 1.926 64.101 62.100 0.125 0.000 1.146 412 T CB -0.347 68.594 68.868 0.121 0.000 0.865 412 T HN 0.287 nan 8.240 nan 0.000 0.435 413 A N 1.132 123.974 122.820 0.035 0.000 1.972 413 A HA -0.157 4.163 4.320 0.000 0.000 0.219 413 A C 2.300 179.913 177.584 0.048 0.000 1.169 413 A CA 1.484 53.548 52.037 0.045 0.000 0.635 413 A CB -0.580 18.440 19.000 0.032 0.000 0.810 413 A HN 0.383 nan 8.150 nan 0.000 0.446 414 Q N -0.713 119.095 119.800 0.014 0.000 2.079 414 Q HA -0.161 4.179 4.340 0.000 0.000 0.200 414 Q C 2.170 178.190 176.000 0.034 0.000 0.974 414 Q CA 1.938 57.751 55.803 0.016 0.000 0.840 414 Q CB -0.364 28.357 28.738 -0.029 0.000 0.898 414 Q HN 0.852 nan 8.270 nan 0.000 0.430 415 Q N -0.908 118.888 119.800 -0.007 0.000 2.123 415 Q HA -0.051 4.289 4.340 0.000 0.000 0.199 415 Q C 0.750 176.808 176.000 0.096 0.000 0.966 415 Q CA 1.148 56.914 55.803 -0.062 0.000 0.845 415 Q CB -0.018 28.574 28.738 -0.242 0.000 0.907 415 Q HN 0.491 nan 8.270 nan 0.000 0.439 416 G N -0.145 108.745 108.800 0.150 0.000 2.184 416 G HA2 -0.281 3.679 3.960 0.000 0.000 0.264 416 G HA3 -0.281 3.679 3.960 0.000 0.000 0.264 416 G C -0.480 174.640 174.900 0.366 0.000 0.975 416 G CA 0.712 46.007 45.100 0.324 0.000 0.642 416 G HN 0.513 nan 8.290 nan 0.000 0.536 417 W N -0.567 120.742 121.300 0.015 0.000 3.146 417 W HA 0.691 5.351 4.660 0.000 0.000 0.319 417 W C -1.074 175.427 176.519 -0.029 0.000 1.258 417 W CA -0.595 56.732 57.345 -0.030 0.000 1.189 417 W CB 0.618 29.944 29.460 -0.224 0.000 1.412 417 W HN 0.495 nan 8.180 nan 0.000 0.567 418 T N 3.156 117.704 114.554 -0.009 0.000 3.237 418 T HA 0.631 4.981 4.350 0.000 0.000 0.319 418 T C -0.110 174.682 174.700 0.153 0.000 1.037 418 T CA 0.350 62.333 62.100 -0.194 0.000 1.048 418 T CB 0.738 69.541 68.868 -0.107 0.000 1.081 418 T HN 1.831 nan 8.240 nan 0.000 0.455 419 G N 1.940 110.823 108.800 0.138 0.000 2.746 419 G HA2 0.283 4.243 3.960 0.000 0.000 0.685 419 G HA3 0.283 4.243 3.960 0.000 0.000 0.685 419 G C -0.463 174.743 174.900 0.510 0.000 1.350 419 G CA -0.149 45.176 45.100 0.375 0.000 0.837 419 G HN 1.379 nan 8.290 nan 0.000 0.564 420 S N -1.415 114.521 115.700 0.393 0.000 2.595 420 S HA 0.673 5.143 4.470 0.000 0.000 0.270 420 S C -0.656 174.077 174.600 0.223 0.000 1.145 420 S CA -0.330 58.013 58.200 0.238 0.000 0.825 420 S CB 0.979 64.294 63.200 0.192 0.000 1.107 420 S HN 1.180 nan 8.310 nan 0.000 0.461 421 L N 2.705 124.045 121.223 0.194 0.000 2.375 421 L HA 0.587 4.927 4.340 0.000 0.000 0.268 421 L C -0.067 176.980 176.870 0.296 0.000 1.058 421 L CA -0.968 54.031 54.840 0.264 0.000 0.803 421 L CB 0.931 43.133 42.059 0.237 0.000 1.212 421 L HN 0.597 nan 8.230 nan 0.000 0.451 422 L N 1.116 122.500 121.223 0.268 0.000 2.469 422 L HA 0.363 4.703 4.340 0.000 0.000 0.253 422 L C 0.020 176.991 176.870 0.167 0.000 1.143 422 L CA -0.874 54.121 54.840 0.258 0.000 0.804 422 L CB 0.611 42.757 42.059 0.144 0.000 1.214 422 L HN 0.370 nan 8.230 nan 0.000 0.476 423 L N 1.236 122.488 121.223 0.048 0.000 2.514 423 L HA 0.087 4.427 4.340 0.000 0.000 0.280 423 L C -2.070 174.766 176.870 -0.055 0.000 1.223 423 L CA -1.544 53.255 54.840 -0.069 0.000 0.864 423 L CB -0.197 41.845 42.059 -0.029 0.000 1.118 423 L HN 0.262 nan 8.230 nan 0.000 0.494 424 P HA 0.118 nan 4.420 nan 0.000 0.265 424 P C -1.038 176.083 177.300 -0.298 0.000 1.193 424 P CA 0.225 63.017 63.100 -0.513 0.000 0.765 424 P CB 0.498 31.892 31.700 -0.510 0.000 0.823 425 R N 2.043 122.365 120.500 -0.297 0.000 2.599 425 R HA 0.356 4.696 4.340 0.000 0.000 0.295 425 R C -0.225 175.986 176.300 -0.148 0.000 0.963 425 R CA -0.761 55.259 56.100 -0.134 0.000 0.883 425 R CB 1.943 32.244 30.300 0.002 0.000 1.171 425 R HN 0.462 nan 8.270 nan 0.000 0.450 426 E N 2.180 122.314 120.200 -0.110 0.000 2.259 426 E HA 0.202 4.552 4.350 0.000 0.000 0.281 426 E C -0.848 175.725 176.600 -0.046 0.000 1.027 426 E CA -0.531 55.819 56.400 -0.083 0.000 0.838 426 E CB 0.987 30.637 29.700 -0.084 0.000 1.066 426 E HN -0.001 nan 8.360 nan 0.000 0.401 427 L N 4.176 125.398 121.223 -0.002 0.000 2.341 427 L HA 0.449 4.789 4.340 0.000 0.000 0.278 427 L C -0.140 176.655 176.870 -0.125 0.000 1.005 427 L CA -0.153 54.644 54.840 -0.070 0.000 0.818 427 L CB 1.149 43.200 42.059 -0.012 0.000 1.259 427 L HN 0.574 nan 8.230 nan 0.000 0.418 428 K N 1.337 121.591 120.400 -0.243 0.000 2.499 428 K HA 0.663 4.983 4.320 0.000 0.000 0.284 428 K C -1.630 174.758 176.600 -0.354 0.000 1.039 428 K CA -0.938 55.202 56.287 -0.246 0.000 0.873 428 K CB 1.264 33.697 32.500 -0.112 0.000 1.545 428 K HN 0.003 nan 8.250 nan 0.000 0.402 429 V N 2.352 122.128 119.914 -0.231 0.000 2.408 429 V HA 0.177 4.297 4.120 0.000 0.000 0.267 429 V C -0.314 175.742 176.094 -0.063 0.000 1.047 429 V CA -0.404 61.811 62.300 -0.142 0.000 0.937 429 V CB 0.835 32.658 31.823 0.001 0.000 0.999 429 V HN 0.498 nan 8.190 nan 0.000 0.472 430 Q N 2.371 122.144 119.800 -0.045 0.000 2.235 430 Q HA 0.416 4.756 4.340 0.000 0.000 0.250 430 Q C -0.023 175.998 176.000 0.035 0.000 0.909 430 Q CA 0.025 55.827 55.803 -0.002 0.000 0.910 430 Q CB 1.983 30.727 28.738 0.011 0.000 1.223 430 Q HN 0.796 nan 8.270 nan 0.000 0.432 431 T N 0.975 115.543 114.554 0.025 0.000 2.855 431 T HA 0.578 4.928 4.350 0.000 0.000 0.281 431 T C -1.052 173.653 174.700 0.008 0.000 1.007 431 T CA -0.556 61.556 62.100 0.021 0.000 1.009 431 T CB 0.810 69.686 68.868 0.013 0.000 0.983 431 T HN 0.234 nan 8.240 nan 0.000 0.455 432 V N 5.779 125.682 119.914 -0.019 0.000 2.325 432 V HA 0.401 4.521 4.120 0.000 0.000 0.280 432 V C 0.132 176.187 176.094 -0.066 0.000 1.016 432 V CA -0.793 61.482 62.300 -0.042 0.000 0.818 432 V CB 1.024 32.791 31.823 -0.093 0.000 1.019 432 V HN 0.910 nan 8.190 nan 0.000 0.434 433 E N 2.774 122.953 120.200 -0.036 0.000 2.314 433 E HA 0.389 4.739 4.350 0.000 0.000 0.262 433 E C 0.116 176.695 176.600 -0.035 0.000 1.093 433 E CA -0.577 55.802 56.400 -0.034 0.000 0.908 433 E CB 0.525 30.215 29.700 -0.016 0.000 1.091 433 E HN 0.762 nan 8.360 nan 0.000 0.425 434 N N -0.812 117.869 118.700 -0.032 0.000 2.738 434 N HA -0.170 4.570 4.740 0.000 0.000 0.249 434 N C -1.250 174.241 175.510 -0.031 0.000 1.047 434 N CA -0.235 52.801 53.050 -0.024 0.000 0.707 434 N CB -1.075 37.406 38.487 -0.011 0.000 0.937 434 N HN 0.035 nan 8.380 nan 0.000 0.545 435 V N 1.041 120.917 119.914 -0.063 0.000 2.407 435 V HA 0.234 4.354 4.120 0.000 0.000 0.278 435 V C 0.907 176.968 176.094 -0.055 0.000 1.037 435 V CA -0.794 61.454 62.300 -0.086 0.000 0.900 435 V CB 1.770 33.453 31.823 -0.234 0.000 0.983 435 V HN 0.059 nan 8.190 nan 0.000 0.459 436 V N 4.243 124.150 119.914 -0.011 0.000 2.458 436 V HA -0.012 4.108 4.120 0.000 0.000 0.287 436 V C 0.848 176.946 176.094 0.006 0.000 1.009 436 V CA 0.118 62.423 62.300 0.009 0.000 1.091 436 V CB 0.416 32.260 31.823 0.036 0.000 0.960 436 V HN 0.893 nan 8.190 nan 0.000 0.476 437 D N 5.216 125.617 120.400 0.001 0.000 2.489 437 D HA 0.070 4.710 4.640 0.000 0.000 0.237 437 D C 0.284 176.607 176.300 0.037 0.000 1.212 437 D CA 0.051 54.056 54.000 0.009 0.000 1.058 437 D CB -0.181 40.623 40.800 0.005 0.000 1.098 437 D HN 0.838 nan 8.370 nan 0.000 0.509 438 N N 0.200 118.937 118.700 0.063 0.000 3.100 438 N HA 0.158 4.898 4.740 0.000 0.000 0.344 438 N C 1.174 176.752 175.510 0.114 0.000 1.413 438 N CA -0.675 52.423 53.050 0.080 0.000 0.752 438 N CB 0.257 38.794 38.487 0.083 0.000 1.519 438 N HN -0.086 nan 8.380 nan 0.000 0.620 439 E N 0.395 120.664 120.200 0.115 0.000 2.160 439 E HA -0.175 4.175 4.350 0.000 0.000 0.195 439 E C 1.503 178.227 176.600 0.206 0.000 0.991 439 E CA 1.246 57.727 56.400 0.135 0.000 0.810 439 E CB -0.823 28.944 29.700 0.111 0.000 0.742 439 E HN 0.656 nan 8.360 nan 0.000 0.466 440 L N 0.696 122.060 121.223 0.235 0.000 2.187 440 L HA -0.143 4.197 4.340 0.000 0.000 0.213 440 L C 2.596 179.781 176.870 0.524 0.000 1.100 440 L CA 0.960 56.003 54.840 0.339 0.000 0.765 440 L CB -0.303 41.941 42.059 0.309 0.000 0.904 440 L HN 0.026 nan 8.230 nan 0.000 0.437 441 V N -1.091 119.051 119.914 0.380 0.000 2.500 441 V HA -0.055 4.065 4.120 0.000 0.000 0.243 441 V C 2.145 178.494 176.094 0.424 0.000 1.039 441 V CA 0.999 63.514 62.300 0.358 0.000 1.053 441 V CB -0.368 31.497 31.823 0.070 0.000 0.695 441 V HN 0.356 nan 8.190 nan 0.000 0.463 442 R N 0.808 121.453 120.500 0.241 0.000 2.319 442 R HA 0.142 4.482 4.340 0.000 0.000 0.204 442 R C 0.848 177.209 176.300 0.101 0.000 0.954 442 R CA -0.129 56.059 56.100 0.147 0.000 1.066 442 R CB -0.660 29.696 30.300 0.093 0.000 0.991 442 R HN 0.646 nan 8.270 nan 0.000 0.486 443 E N 1.566 121.852 120.200 0.143 0.000 2.438 443 E HA -0.053 4.297 4.350 0.000 0.000 0.261 443 E C -0.541 176.018 176.600 -0.069 0.000 1.103 443 E CA 0.232 56.675 56.400 0.071 0.000 0.959 443 E CB 0.668 30.457 29.700 0.149 0.000 0.958 443 E HN 0.138 nan 8.360 nan 0.000 0.447 444 E N 0.343 120.494 120.200 -0.081 0.000 2.250 444 E HA 0.353 4.703 4.350 0.000 0.000 0.269 444 E C -0.188 176.257 176.600 -0.258 0.000 1.018 444 E CA -0.132 56.162 56.400 -0.176 0.000 0.873 444 E CB 1.387 30.995 29.700 -0.153 0.000 1.134 444 E HN 0.778 nan 8.360 nan 0.000 0.403 445 G N 0.731 109.260 108.800 -0.452 0.000 2.359 445 G HA2 -0.215 3.745 3.960 0.000 0.000 0.298 445 G HA3 -0.215 3.745 3.960 0.000 0.000 0.298 445 G C -0.303 174.416 174.900 -0.302 0.000 1.030 445 G CA 0.267 44.922 45.100 -0.742 0.000 1.149 445 G HN 0.257 nan 8.290 nan 0.000 0.512 446 V N -0.260 119.488 119.914 -0.275 0.000 3.204 446 V HA 0.744 4.864 4.120 0.000 0.000 0.316 446 V C 1.149 177.022 176.094 -0.369 0.000 1.160 446 V CA 0.174 62.033 62.300 -0.735 0.000 1.044 446 V CB 2.173 33.050 31.823 -1.576 0.000 1.136 446 V HN 0.415 nan 8.190 nan 0.000 0.455 447 S N 1.469 116.826 115.700 -0.573 0.000 2.573 447 S HA 0.268 4.738 4.470 0.000 0.000 0.244 447 S C -0.814 174.057 174.600 0.451 0.000 0.984 447 S CA -0.310 57.952 58.200 0.102 0.000 1.001 447 S CB -0.436 63.093 63.200 0.548 0.000 0.788 447 S HN 0.620 nan 8.310 nan 0.000 0.456 448 W N -0.374 121.052 121.300 0.210 0.000 2.989 448 W HA 0.688 5.348 4.660 0.000 0.000 0.344 448 W C -1.554 175.023 176.519 0.097 0.000 1.233 448 W CA -1.363 56.093 57.345 0.185 0.000 1.187 448 W CB 0.377 29.917 29.460 0.134 0.000 1.443 448 W HN -0.053 nan 8.180 nan 0.000 0.573 449 V N -0.878 119.227 119.914 0.318 0.000 3.078 449 V HA 0.821 4.941 4.120 0.000 0.000 0.311 449 V C -1.112 175.095 176.094 0.189 0.000 1.138 449 V CA -1.469 60.937 62.300 0.177 0.000 1.007 449 V CB 1.258 33.131 31.823 0.083 0.000 1.045 449 V HN 0.721 nan 8.190 nan 0.000 0.432 450 V N 2.832 122.819 119.914 0.121 0.000 2.427 450 V HA 0.437 4.557 4.120 0.000 0.000 0.268 450 V C 1.547 177.668 176.094 0.045 0.000 1.046 450 V CA 1.022 63.365 62.300 0.071 0.000 0.970 450 V CB 0.458 32.311 31.823 0.049 0.000 1.001 450 V HN 1.226 nan 8.190 nan 0.000 0.476 451 G N 4.465 113.287 108.800 0.036 0.000 2.494 451 G HA2 0.098 4.058 3.960 0.000 0.000 0.216 451 G HA3 0.098 4.058 3.960 0.000 0.000 0.216 451 G C 0.368 175.277 174.900 0.016 0.000 1.140 451 G CA 0.564 45.681 45.100 0.029 0.000 0.801 451 G HN 0.814 nan 8.290 nan 0.000 0.536 452 E N -1.810 118.395 120.200 0.008 0.000 2.431 452 E HA 0.517 4.867 4.350 0.000 0.000 0.287 452 E C -1.792 174.807 176.600 -0.002 0.000 1.032 452 E CA -0.828 55.574 56.400 0.003 0.000 0.839 452 E CB 0.974 30.675 29.700 0.002 0.000 1.218 452 E HN -0.013 nan 8.360 nan 0.000 0.424 453 S N 0.678 116.378 115.700 -0.001 0.000 2.588 453 S HA 0.483 4.953 4.470 0.000 0.000 0.269 453 S C -1.601 172.998 174.600 -0.000 0.000 1.157 453 S CA -0.493 57.705 58.200 -0.003 0.000 0.824 453 S CB 1.620 64.820 63.200 -0.000 0.000 1.126 453 S HN 0.555 nan 8.310 nan 0.000 0.464 454 D N 1.565 121.965 120.400 -0.001 0.000 2.673 454 D HA 0.384 5.024 4.640 0.000 0.000 0.278 454 D C 0.154 176.456 176.300 0.003 0.000 1.393 454 D CA -0.174 53.826 54.000 0.001 0.000 0.805 454 D CB 0.010 40.810 40.800 -0.000 0.000 1.110 454 D HN 0.569 nan 8.370 nan 0.000 0.476 455 N N 0.181 118.884 118.700 0.004 0.000 2.929 455 N HA -0.267 4.473 4.740 0.000 0.000 0.234 455 N C 1.224 176.738 175.510 0.007 0.000 0.908 455 N CA 1.868 54.923 53.050 0.007 0.000 0.993 455 N CB -0.389 38.102 38.487 0.007 0.000 1.075 455 N HN 0.405 nan 8.380 nan 0.000 0.603 456 Q N -0.014 119.789 119.800 0.004 0.000 2.525 456 Q HA 0.203 4.543 4.340 0.000 0.000 0.203 456 Q C 0.899 176.900 176.000 0.001 0.000 0.947 456 Q CA 1.198 57.003 55.803 0.004 0.000 0.881 456 Q CB -0.140 28.599 28.738 0.003 0.000 1.049 456 Q HN 0.360 nan 8.270 nan 0.000 0.600 457 T N -1.785 112.766 114.554 -0.005 0.000 2.900 457 T HA 0.896 5.246 4.350 0.000 0.000 0.295 457 T C -0.809 173.878 174.700 -0.021 0.000 1.044 457 T CA -0.459 61.633 62.100 -0.014 0.000 0.995 457 T CB 1.996 70.856 68.868 -0.012 0.000 1.072 457 T HN 0.514 nan 8.240 nan 0.000 0.473 458 A N 1.360 124.157 122.820 -0.039 0.000 2.485 458 A HA 0.868 5.188 4.320 0.000 0.000 0.292 458 A C -0.291 177.255 177.584 -0.063 0.000 1.147 458 A CA -0.997 51.014 52.037 -0.043 0.000 0.750 458 A CB 1.561 20.536 19.000 -0.043 0.000 1.331 458 A HN 0.858 nan 8.150 nan 0.000 0.419 459 T N 1.662 116.187 114.554 -0.048 0.000 2.772 459 T HA 0.501 4.851 4.350 0.000 0.000 0.288 459 T C -0.569 174.102 174.700 -0.049 0.000 0.994 459 T CA -0.170 61.901 62.100 -0.050 0.000 0.951 459 T CB 0.262 69.117 68.868 -0.021 0.000 0.933 459 T HN 0.353 nan 8.240 nan 0.000 0.447 460 L N 3.427 124.593 121.223 -0.095 0.000 2.418 460 L HA 0.544 4.884 4.340 0.000 0.000 0.265 460 L C 0.745 177.631 176.870 0.026 0.000 1.143 460 L CA 0.007 54.806 54.840 -0.069 0.000 0.809 460 L CB 0.397 42.295 42.059 -0.270 0.000 1.124 460 L HN 0.465 nan 8.230 nan 0.000 0.456 461 R N 0.260 120.832 120.500 0.119 0.000 2.561 461 R HA 0.730 5.070 4.340 0.000 0.000 0.297 461 R C -0.735 175.722 176.300 0.262 0.000 0.969 461 R CA -0.533 55.660 56.100 0.154 0.000 0.879 461 R CB 2.206 32.588 30.300 0.137 0.000 1.178 461 R HN 0.706 nan 8.270 nan 0.000 0.445 462 T N 1.040 115.743 114.554 0.247 0.000 2.665 462 T HA 0.283 4.634 4.350 0.000 0.000 0.303 462 T C -1.542 173.208 174.700 0.083 0.000 1.334 462 T CA -0.673 61.616 62.100 0.315 0.000 1.011 462 T CB 1.223 70.337 68.868 0.410 0.000 1.573 462 T HN 0.345 nan 8.240 nan 0.000 0.492 463 L N 2.406 123.486 121.223 -0.240 0.000 2.361 463 L HA 0.568 4.908 4.340 0.000 0.000 0.278 463 L C 0.717 177.382 176.870 -0.343 0.000 1.113 463 L CA -0.087 54.363 54.840 -0.650 0.000 0.849 463 L CB 0.052 41.150 42.059 -1.602 0.000 1.155 463 L HN 0.889 nan 8.230 nan 0.000 0.452 464 G N 6.425 115.052 108.800 -0.288 0.000 2.353 464 G HA2 0.519 4.479 3.960 0.000 0.000 0.284 464 G HA3 0.519 4.479 3.960 0.000 0.000 0.284 464 G C -0.575 174.252 174.900 -0.122 0.000 1.172 464 G CA -0.469 44.551 45.100 -0.133 0.000 0.854 464 G HN 0.656 nan 8.290 nan 0.000 0.485 465 I N 2.424 122.985 120.570 -0.015 0.000 2.439 465 I HA 0.375 4.545 4.170 0.000 0.000 0.283 465 I C 0.025 176.202 176.117 0.100 0.000 1.023 465 I CA -0.576 60.747 61.300 0.039 0.000 1.100 465 I CB 2.115 40.173 38.000 0.097 0.000 1.238 465 I HN 0.608 nan 8.210 nan 0.000 0.445 466 T N 2.885 117.457 114.554 0.030 0.000 2.883 466 T HA 0.641 4.991 4.350 0.000 0.000 0.296 466 T C -0.276 174.347 174.700 -0.128 0.000 1.117 466 T CA -0.829 61.239 62.100 -0.053 0.000 1.006 466 T CB 1.746 70.570 68.868 -0.074 0.000 1.191 466 T HN 0.234 nan 8.240 nan 0.000 0.508 467 I N 1.884 122.269 120.570 -0.307 0.000 2.648 467 I HA 0.378 4.548 4.170 0.000 0.000 0.284 467 I C 1.323 177.333 176.117 -0.180 0.000 1.153 467 I CA -0.625 60.511 61.300 -0.275 0.000 1.426 467 I CB 0.568 38.347 38.000 -0.367 0.000 1.381 467 I HN 0.960 nan 8.210 nan 0.000 0.571 468 A N 7.245 129.968 122.820 -0.162 0.000 2.561 468 A HA -0.006 4.314 4.320 0.000 0.000 0.251 468 A C 1.738 179.239 177.584 -0.138 0.000 1.062 468 A CA -0.109 51.833 52.037 -0.158 0.000 0.761 468 A CB -0.042 18.846 19.000 -0.185 0.000 0.986 468 A HN 0.980 nan 8.150 nan 0.000 0.510 469 R N 2.212 122.637 120.500 -0.124 0.000 2.140 469 R HA -0.274 4.066 4.340 0.000 0.000 0.250 469 R C 0.883 177.112 176.300 -0.118 0.000 1.150 469 R CA 2.278 58.311 56.100 -0.111 0.000 0.966 469 R CB -0.446 29.798 30.300 -0.092 0.000 0.869 469 R HN 0.728 nan 8.270 nan 0.000 0.445 470 E N 0.377 120.500 120.200 -0.127 0.000 2.150 470 E HA -0.063 4.287 4.350 0.000 0.000 0.193 470 E C 1.935 178.435 176.600 -0.166 0.000 0.985 470 E CA 1.816 58.129 56.400 -0.145 0.000 0.814 470 E CB -0.051 29.559 29.700 -0.149 0.000 0.752 470 E HN 0.400 nan 8.360 nan 0.000 0.466 471 T N 0.451 114.927 114.554 -0.130 0.000 2.857 471 T HA -0.101 4.249 4.350 0.000 0.000 0.266 471 T C 1.748 176.393 174.700 -0.091 0.000 1.048 471 T CA 1.107 63.153 62.100 -0.089 0.000 1.139 471 T CB -0.056 68.796 68.868 -0.027 0.000 0.874 471 T HN 0.072 nan 8.240 nan 0.000 0.455 472 K N 1.101 121.438 120.400 -0.106 0.000 2.026 472 K HA -0.019 4.301 4.320 0.000 0.000 0.208 472 K C 2.501 179.044 176.600 -0.096 0.000 1.048 472 K CA 1.190 57.420 56.287 -0.096 0.000 0.929 472 K CB -0.304 32.126 32.500 -0.117 0.000 0.713 472 K HN 0.251 nan 8.250 nan 0.000 0.439 473 A N 1.097 123.844 122.820 -0.121 0.000 1.883 473 A HA -0.141 4.179 4.320 0.000 0.000 0.217 473 A C 2.346 179.823 177.584 -0.179 0.000 1.186 473 A CA 2.030 53.990 52.037 -0.127 0.000 0.624 473 A CB -0.937 17.985 19.000 -0.129 0.000 0.822 473 A HN 0.493 nan 8.150 nan 0.000 0.444 474 A N -0.407 122.234 122.820 -0.300 0.000 1.933 474 A HA -0.036 4.284 4.320 0.000 0.000 0.218 474 A C 2.152 179.488 177.584 -0.413 0.000 1.175 474 A CA 1.455 53.159 52.037 -0.554 0.000 0.628 474 A CB -0.610 17.731 19.000 -1.098 0.000 0.814 474 A HN 0.482 nan 8.150 nan 0.000 0.444 475 L N -0.952 120.186 121.223 -0.142 0.000 2.127 475 L HA -0.165 4.175 4.340 0.000 0.000 0.211 475 L C 2.166 179.084 176.870 0.080 0.000 1.089 475 L CA 1.103 56.028 54.840 0.142 0.000 0.757 475 L CB -0.332 41.812 42.059 0.140 0.000 0.899 475 L HN 0.393 nan 8.230 nan 0.000 0.434 476 L N -1.840 119.385 121.223 0.003 0.000 2.513 476 L HA 0.135 4.475 4.340 0.000 0.000 0.222 476 L C 2.662 179.527 176.870 -0.007 0.000 1.096 476 L CA 0.256 55.104 54.840 0.013 0.000 0.857 476 L CB -0.508 41.552 42.059 0.001 0.000 1.026 476 L HN 0.103 nan 8.230 nan 0.000 0.469 477 A N 1.331 124.120 122.820 -0.050 0.000 1.870 477 A HA -0.239 4.081 4.320 0.000 0.000 0.219 477 A C 1.573 179.144 177.584 -0.022 0.000 1.224 477 A CA 2.181 54.184 52.037 -0.057 0.000 0.650 477 A CB -0.514 18.420 19.000 -0.110 0.000 0.836 477 A HN 0.496 nan 8.150 nan 0.000 0.454 478 N N 0.048 118.747 118.700 -0.002 0.000 2.380 478 N HA 0.227 4.967 4.740 0.000 0.000 0.255 478 N C 0.207 175.740 175.510 0.039 0.000 1.158 478 N CA 0.612 53.672 53.050 0.016 0.000 0.878 478 N CB 0.554 39.052 38.487 0.019 0.000 1.138 478 N HN 0.442 nan 8.380 nan 0.000 0.509 479 G N -0.154 108.674 108.800 0.047 0.000 2.425 479 G HA2 0.220 4.180 3.960 0.000 0.000 0.302 479 G HA3 0.220 4.180 3.960 0.000 0.000 0.302 479 G C -0.285 174.649 174.900 0.057 0.000 1.159 479 G CA -0.239 44.901 45.100 0.068 0.000 0.865 479 G HN 0.072 nan 8.290 nan 0.000 0.515 480 S N -0.028 115.712 115.700 0.066 0.000 2.499 480 S HA 0.382 4.852 4.470 0.000 0.000 0.275 480 S C 0.078 174.711 174.600 0.055 0.000 1.257 480 S CA -0.603 57.629 58.200 0.053 0.000 1.050 480 S CB 0.565 63.797 63.200 0.054 0.000 0.937 480 S HN 0.422 nan 8.310 nan 0.000 0.490 481 V N 5.569 125.508 119.914 0.041 0.000 2.394 481 V HA 0.487 4.607 4.120 0.000 0.000 0.282 481 V C 0.084 176.197 176.094 0.031 0.000 1.031 481 V CA -0.461 61.863 62.300 0.039 0.000 0.881 481 V CB 1.551 33.392 31.823 0.031 0.000 0.982 481 V HN 0.968 nan 8.190 nan 0.000 0.451 482 T N 4.393 118.966 114.554 0.033 0.000 2.949 482 T HA 0.666 5.016 4.350 0.000 0.000 0.300 482 T C -0.057 174.649 174.700 0.010 0.000 0.988 482 T CA -0.243 61.870 62.100 0.022 0.000 0.993 482 T CB 1.506 70.391 68.868 0.028 0.000 0.984 482 T HN 0.892 nan 8.240 nan 0.000 0.442 483 A N 3.141 125.957 122.820 -0.007 0.000 2.282 483 A HA 0.827 5.147 4.320 0.000 0.000 0.319 483 A C -0.158 177.379 177.584 -0.078 0.000 1.121 483 A CA -0.669 51.351 52.037 -0.028 0.000 0.836 483 A CB 0.655 19.649 19.000 -0.009 0.000 1.146 483 A HN 0.629 nan 8.150 nan 0.000 0.494 484 E N 0.967 121.095 120.200 -0.120 0.000 2.256 484 E HA 0.299 4.649 4.350 0.000 0.000 0.267 484 E C -0.780 175.791 176.600 -0.049 0.000 0.892 484 E CA -0.703 55.599 56.400 -0.162 0.000 0.775 484 E CB 1.386 30.837 29.700 -0.414 0.000 1.207 484 E HN 0.644 nan 8.360 nan 0.000 0.420 485 E N 1.288 121.462 120.200 -0.043 0.000 2.392 485 E HA 0.042 4.392 4.350 0.000 0.000 0.264 485 E C -0.501 176.077 176.600 -0.037 0.000 1.024 485 E CA -0.051 56.328 56.400 -0.035 0.000 0.903 485 E CB 0.553 30.225 29.700 -0.047 0.000 0.963 485 E HN 0.277 nan 8.360 nan 0.000 0.432 486 D N 1.694 122.083 120.400 -0.018 0.000 2.506 486 D HA 0.032 4.672 4.640 0.000 0.000 0.234 486 D C -0.016 176.238 176.300 -0.075 0.000 1.143 486 D CA 0.876 54.871 54.000 -0.008 0.000 0.871 486 D CB 0.509 41.305 40.800 -0.006 0.000 1.190 486 D HN 0.178 nan 8.370 nan 0.000 0.459 487 R N 0.408 120.857 120.500 -0.085 0.000 2.707 487 R HA 0.578 4.918 4.340 0.000 0.000 0.272 487 R C -1.060 175.206 176.300 -0.058 0.000 1.011 487 R CA -0.841 55.160 56.100 -0.166 0.000 0.893 487 R CB 2.150 32.159 30.300 -0.485 0.000 1.233 487 R HN 0.220 nan 8.270 nan 0.000 0.464 488 T N 2.633 117.135 114.554 -0.087 0.000 2.840 488 T HA 0.459 4.809 4.350 0.000 0.000 0.287 488 T C -0.676 173.965 174.700 -0.097 0.000 0.991 488 T CA -0.633 61.415 62.100 -0.085 0.000 0.964 488 T CB 0.750 69.564 68.868 -0.091 0.000 0.954 488 T HN 0.163 nan 8.240 nan 0.000 0.438 489 L N 3.285 124.431 121.223 -0.128 0.000 2.317 489 L HA 0.505 4.845 4.340 0.000 0.000 0.281 489 L C 0.866 177.566 176.870 -0.283 0.000 1.024 489 L CA -0.588 54.159 54.840 -0.156 0.000 0.810 489 L CB 1.937 43.938 42.059 -0.097 0.000 1.240 489 L HN 0.709 nan 8.230 nan 0.000 0.427 490 Q N 0.257 120.018 119.800 -0.064 0.000 2.631 490 Q HA 0.105 4.446 4.340 0.000 0.000 0.220 490 Q C 0.526 176.658 176.000 0.220 0.000 0.819 490 Q CA -0.020 55.807 55.803 0.041 0.000 0.914 490 Q CB 0.667 29.414 28.738 0.015 0.000 1.248 490 Q HN 0.662 nan 8.270 nan 0.000 0.629 491 T N 0.703 115.341 114.554 0.140 0.000 2.899 491 T HA 0.467 4.817 4.350 0.000 0.000 0.295 491 T C -0.119 174.654 174.700 0.122 0.000 1.033 491 T CA -0.194 61.964 62.100 0.098 0.000 1.084 491 T CB 0.776 69.674 68.868 0.050 0.000 0.979 491 T HN 0.287 nan 8.240 nan 0.000 0.532 492 A N 2.392 125.221 122.820 0.015 0.000 2.567 492 A HA 0.560 4.880 4.320 0.000 0.000 0.240 492 A C 0.488 178.096 177.584 0.039 0.000 1.053 492 A CA 0.262 52.273 52.037 -0.043 0.000 0.755 492 A CB -0.805 18.159 19.000 -0.060 0.000 0.978 492 A HN 1.469 nan 8.150 nan 0.000 0.507 493 A N 1.626 124.483 122.820 0.062 0.000 2.608 493 A HA 0.631 4.951 4.320 0.000 0.000 0.292 493 A C -1.258 176.435 177.584 0.182 0.000 1.066 493 A CA -0.367 51.737 52.037 0.112 0.000 0.676 493 A CB 1.185 20.247 19.000 0.103 0.000 1.277 493 A HN 1.509 nan 8.150 nan 0.000 0.413 494 V N 1.459 121.488 119.914 0.193 0.000 2.445 494 V HA 0.451 4.571 4.120 0.000 0.000 0.283 494 V C -0.838 175.376 176.094 0.199 0.000 1.014 494 V CA -0.444 62.001 62.300 0.241 0.000 0.852 494 V CB 1.308 33.258 31.823 0.213 0.000 1.021 494 V HN 0.764 nan 8.190 nan 0.000 0.435 495 V N 7.488 127.556 119.914 0.256 0.000 2.357 495 V HA 0.448 4.568 4.120 0.000 0.000 0.284 495 V C -2.005 174.291 176.094 0.336 0.000 1.018 495 V CA -1.911 60.547 62.300 0.264 0.000 0.841 495 V CB 2.056 34.029 31.823 0.251 0.000 0.991 495 V HN 0.632 nan 8.190 nan 0.000 0.437 496 P HA 0.140 nan 4.420 nan 0.000 0.271 496 P C -0.424 177.089 177.300 0.356 0.000 1.218 496 P CA -0.248 62.982 63.100 0.217 0.000 0.780 496 P CB 0.652 32.428 31.700 0.127 0.000 0.901 497 F N 0.984 120.934 119.950 0.001 0.000 2.490 497 F HA 0.132 4.659 4.527 0.000 0.000 0.336 497 F C 2.022 177.839 175.800 0.029 0.000 1.178 497 F CA -0.345 57.652 58.000 -0.005 0.000 1.301 497 F CB -0.557 38.369 39.000 -0.123 0.000 1.175 497 F HN 0.422 nan 8.300 nan 0.000 0.593 498 A N 1.565 124.473 122.820 0.147 0.000 2.015 498 A HA -0.109 4.211 4.320 0.000 0.000 0.219 498 A C 0.622 178.255 177.584 0.081 0.000 1.163 498 A CA 1.166 53.254 52.037 0.085 0.000 0.646 498 A CB -0.398 18.622 19.000 0.034 0.000 0.806 498 A HN 0.698 nan 8.150 nan 0.000 0.448 499 Q N -0.382 119.481 119.800 0.105 0.000 2.331 499 Q HA 0.444 4.784 4.340 0.000 0.000 0.249 499 Q C -1.560 174.497 176.000 0.095 0.000 0.913 499 Q CA -0.317 55.531 55.803 0.075 0.000 0.874 499 Q CB 1.467 30.232 28.738 0.045 0.000 1.384 499 Q HN 0.276 nan 8.270 nan 0.000 0.427 500 S N 3.608 119.328 115.700 0.033 0.000 2.690 500 S HA 0.670 5.140 4.470 0.000 0.000 0.291 500 S C -2.376 172.168 174.600 -0.094 0.000 1.138 500 S CA -0.960 57.201 58.200 -0.065 0.000 1.013 500 S CB 1.226 64.346 63.200 -0.132 0.000 1.053 500 S HN 0.592 nan 8.310 nan 0.000 0.539 501 P HA 0.173 nan 4.420 nan 0.000 0.272 501 P C -0.047 177.221 177.300 -0.053 0.000 1.240 501 P CA -0.158 62.867 63.100 -0.125 0.000 0.791 501 P CB 0.701 32.252 31.700 -0.247 0.000 0.978 502 S N -1.174 114.536 115.700 0.017 0.000 2.539 502 S HA 0.164 4.634 4.470 0.000 0.000 0.221 502 S C 0.630 175.276 174.600 0.076 0.000 0.987 502 S CA -0.065 58.158 58.200 0.038 0.000 0.929 502 S CB -0.316 62.911 63.200 0.045 0.000 0.832 502 S HN 0.688 nan 8.310 nan 0.000 0.492 503 S N 0.059 115.830 115.700 0.118 0.000 2.732 503 S HA 0.529 4.999 4.470 0.000 0.000 0.293 503 S C -0.690 174.010 174.600 0.167 0.000 1.159 503 S CA -0.916 57.385 58.200 0.169 0.000 0.847 503 S CB 1.137 64.525 63.200 0.314 0.000 1.169 503 S HN 0.164 nan 8.310 nan 0.000 0.501 504 K N 0.271 120.645 120.400 -0.043 0.000 2.675 504 K HA 0.318 4.638 4.320 0.000 0.000 0.213 504 K C -1.410 174.870 176.600 -0.532 0.000 1.074 504 K CA 0.074 56.249 56.287 -0.185 0.000 1.172 504 K CB -0.334 31.977 32.500 -0.314 0.000 0.927 504 K HN 0.466 nan 8.250 nan 0.000 0.471 505 F N 1.848 121.912 119.950 0.189 0.000 2.532 505 F HA 0.356 4.884 4.527 0.000 0.000 0.365 505 F C -0.424 175.480 175.800 0.173 0.000 1.112 505 F CA -1.339 56.701 58.000 0.066 0.000 1.082 505 F CB 0.605 39.653 39.000 0.079 0.000 1.319 505 F HN -0.027 nan 8.300 nan 0.000 0.457 506 F N -0.095 119.951 119.950 0.160 0.000 2.773 506 F HA 0.859 5.386 4.527 0.000 0.000 0.314 506 F C -2.105 173.747 175.800 0.086 0.000 1.160 506 F CA -1.664 56.402 58.000 0.111 0.000 0.920 506 F CB 1.112 40.147 39.000 0.057 0.000 1.323 506 F HN -0.111 nan 8.300 nan 0.000 0.457 507 V N 2.655 122.759 119.914 0.317 0.000 2.444 507 V HA 0.550 4.670 4.120 0.000 0.000 0.294 507 V C -1.120 175.139 176.094 0.276 0.000 1.022 507 V CA -0.565 61.856 62.300 0.202 0.000 0.850 507 V CB 1.430 33.331 31.823 0.129 0.000 0.992 507 V HN 0.814 nan 8.190 nan 0.000 0.426 508 L N 6.132 127.506 121.223 0.252 0.000 2.282 508 L HA 0.875 5.215 4.340 0.000 0.000 0.288 508 L C 0.230 177.144 176.870 0.072 0.000 1.033 508 L CA 0.479 55.401 54.840 0.137 0.000 0.807 508 L CB 1.748 43.844 42.059 0.063 0.000 1.209 508 L HN 0.844 nan 8.230 nan 0.000 0.423 509 T N 2.533 117.121 114.554 0.057 0.000 2.893 509 T HA 0.996 5.346 4.350 0.000 0.000 0.291 509 T C -0.529 174.232 174.700 0.102 0.000 1.028 509 T CA -0.239 61.910 62.100 0.082 0.000 0.995 509 T CB 1.773 70.688 68.868 0.079 0.000 1.051 509 T HN 1.192 nan 8.240 nan 0.000 0.470 510 A N 1.840 124.761 122.820 0.169 0.000 2.597 510 A HA 0.674 4.994 4.320 0.000 0.000 0.292 510 A C -1.724 176.006 177.584 0.244 0.000 1.057 510 A CA -1.074 51.130 52.037 0.277 0.000 0.674 510 A CB 1.400 20.712 19.000 0.519 0.000 1.278 510 A HN 0.808 nan 8.150 nan 0.000 0.416 511 Q N 0.299 120.224 119.800 0.208 0.000 2.340 511 Q HA 0.633 4.973 4.340 0.000 0.000 0.268 511 Q C -1.709 174.273 176.000 -0.031 0.000 1.031 511 Q CA -0.754 55.092 55.803 0.072 0.000 0.804 511 Q CB 2.371 31.125 28.738 0.026 0.000 1.286 511 Q HN 0.507 nan 8.270 nan 0.000 0.448 512 L N 2.404 123.497 121.223 -0.217 0.000 2.305 512 L HA 0.347 4.687 4.340 0.000 0.000 0.284 512 L C -0.335 176.047 176.870 -0.814 0.000 1.013 512 L CA -0.037 54.430 54.840 -0.621 0.000 0.819 512 L CB 1.595 43.211 42.059 -0.739 0.000 1.227 512 L HN 0.517 nan 8.230 nan 0.000 0.417 513 E N 3.541 123.292 120.200 -0.748 0.000 2.151 513 E HA 0.514 4.864 4.350 0.000 0.000 0.275 513 E C -1.273 174.977 176.600 -0.584 0.000 0.936 513 E CA -0.443 55.637 56.400 -0.533 0.000 0.777 513 E CB 1.403 30.942 29.700 -0.269 0.000 1.108 513 E HN 0.205 nan 8.360 nan 0.000 0.401 514 F N 3.105 123.032 119.950 -0.038 0.000 2.507 514 F HA 0.426 4.953 4.527 0.000 0.000 0.327 514 F C -1.921 173.864 175.800 -0.025 0.000 1.068 514 F CA -2.610 55.397 58.000 0.011 0.000 0.965 514 F CB 0.949 40.077 39.000 0.214 0.000 1.192 514 F HN 0.268 nan 8.300 nan 0.000 0.476 515 P HA 0.254 nan 4.420 nan 0.000 0.284 515 P C -0.135 177.147 177.300 -0.031 0.000 1.258 515 P CA -0.318 62.801 63.100 0.031 0.000 0.824 515 P CB 1.650 33.353 31.700 0.005 0.000 1.038 516 A N 2.579 125.376 122.820 -0.038 0.000 2.032 516 A HA -0.188 4.132 4.320 0.000 0.000 0.221 516 A C 2.067 179.568 177.584 -0.137 0.000 1.165 516 A CA 2.264 54.256 52.037 -0.075 0.000 0.645 516 A CB -1.566 17.413 19.000 -0.036 0.000 0.807 516 A HN 0.678 nan 8.150 nan 0.000 0.453 517 S N -0.652 114.980 115.700 -0.115 0.000 2.555 517 S HA 0.278 4.748 4.470 0.000 0.000 0.230 517 S C 1.733 176.214 174.600 -0.198 0.000 0.978 517 S CA 0.862 58.989 58.200 -0.123 0.000 0.934 517 S CB -0.300 62.856 63.200 -0.073 0.000 0.766 517 S HN 0.805 nan 8.310 nan 0.000 0.533 518 A N 2.212 124.848 122.820 -0.308 0.000 2.067 518 A HA 0.142 4.462 4.320 0.000 0.000 0.217 518 A C 2.304 179.356 177.584 -0.887 0.000 1.156 518 A CA 0.481 52.228 52.037 -0.483 0.000 0.683 518 A CB -0.454 18.274 19.000 -0.453 0.000 0.808 518 A HN 0.520 nan 8.150 nan 0.000 0.455 519 R N 0.534 120.475 120.500 -0.933 0.000 2.103 519 R HA -0.146 4.194 4.340 0.000 0.000 0.242 519 R C 2.106 178.239 176.300 -0.278 0.000 1.142 519 R CA 1.849 57.510 56.100 -0.732 0.000 0.960 519 R CB -0.391 29.716 30.300 -0.321 0.000 0.858 519 R HN 0.669 nan 8.270 nan 0.000 0.439 520 S N -0.102 115.477 115.700 -0.202 0.000 2.605 520 S HA 0.040 4.510 4.470 0.000 0.000 0.217 520 S C 0.670 175.224 174.600 -0.078 0.000 0.958 520 S CA -0.313 57.830 58.200 -0.095 0.000 0.919 520 S CB 0.146 63.304 63.200 -0.070 0.000 0.780 520 S HN 0.220 nan 8.310 nan 0.000 0.507 521 S N 1.243 116.879 115.700 -0.107 0.000 2.687 521 S HA 0.574 5.044 4.470 0.000 0.000 0.283 521 S C -2.770 171.817 174.600 -0.022 0.000 1.170 521 S CA -1.363 56.799 58.200 -0.062 0.000 1.008 521 S CB 0.849 64.007 63.200 -0.070 0.000 1.026 521 S HN 0.046 nan 8.310 nan 0.000 0.541 522 P HA 0.257 nan 4.420 nan 0.000 0.249 522 P C 0.075 177.355 177.300 -0.034 0.000 1.544 522 P CA -0.399 62.686 63.100 -0.025 0.000 0.932 522 P CB -0.218 31.460 31.700 -0.036 0.000 1.524 523 L N 0.449 121.670 121.223 -0.003 0.000 2.514 523 L HA 0.026 4.366 4.340 0.000 0.000 0.280 523 L C -0.278 176.584 176.870 -0.013 0.000 1.223 523 L CA 0.810 55.652 54.840 0.003 0.000 0.864 523 L CB 0.219 42.346 42.059 0.112 0.000 1.118 523 L HN 0.068 nan 8.230 nan 0.000 0.494 524 Q N 4.173 123.927 119.800 -0.077 0.000 2.309 524 Q HA 0.421 4.761 4.340 0.000 0.000 0.254 524 Q C -1.544 174.410 176.000 -0.076 0.000 0.938 524 Q CA -0.543 55.224 55.803 -0.060 0.000 0.789 524 Q CB 2.115 30.711 28.738 -0.238 0.000 1.313 524 Q HN 0.693 nan 8.270 nan 0.000 0.438 525 S N 0.567 116.397 115.700 0.217 0.000 2.547 525 S HA 0.958 5.428 4.470 0.000 0.000 0.281 525 S C -0.285 174.591 174.600 0.460 0.000 1.118 525 S CA -0.308 58.064 58.200 0.288 0.000 0.947 525 S CB 1.972 65.430 63.200 0.430 0.000 1.053 525 S HN 0.862 nan 8.310 nan 0.000 0.482 526 G N 1.379 110.461 108.800 0.470 0.000 2.586 526 G HA2 0.556 4.516 3.960 0.000 0.000 0.105 526 G HA3 0.556 4.516 3.960 0.000 0.000 0.105 526 G C -2.125 172.739 174.900 -0.060 0.000 1.129 526 G CA -0.463 44.844 45.100 0.345 0.000 1.127 526 G HN 0.486 nan 8.290 nan 0.000 0.532 527 F N 0.296 120.517 119.950 0.452 0.000 2.643 527 F HA 0.695 5.222 4.527 0.000 0.000 0.314 527 F C -0.236 175.644 175.800 0.132 0.000 1.096 527 F CA -0.708 57.425 58.000 0.222 0.000 0.953 527 F CB 2.557 41.594 39.000 0.062 0.000 1.345 527 F HN 0.287 nan 8.300 nan 0.000 0.468 528 E N 2.370 122.704 120.200 0.223 0.000 2.165 528 E HA 0.609 4.959 4.350 0.000 0.000 0.266 528 E C -1.063 175.541 176.600 0.007 0.000 0.889 528 E CA -0.556 55.890 56.400 0.077 0.000 0.756 528 E CB 2.138 31.854 29.700 0.027 0.000 1.131 528 E HN 0.558 nan 8.360 nan 0.000 0.411 529 I N -0.549 120.035 120.570 0.023 0.000 3.170 529 I HA 0.444 4.615 4.170 0.000 0.000 0.312 529 I C -0.035 176.104 176.117 0.036 0.000 1.085 529 I CA -1.201 60.102 61.300 0.005 0.000 0.999 529 I CB 1.181 39.245 38.000 0.106 0.000 1.233 529 I HN 0.545 nan 8.210 nan 0.000 0.467 530 L N 0.664 121.927 121.223 0.068 0.000 3.854 530 L HA -0.233 4.107 4.340 0.000 0.000 0.460 530 L C 0.108 177.009 176.870 0.052 0.000 1.228 530 L CA 0.507 55.397 54.840 0.082 0.000 0.760 530 L CB -1.699 40.419 42.059 0.098 0.000 1.597 530 L HN 0.868 nan 8.230 nan 0.000 0.852 531 A N 0.085 122.912 122.820 0.012 0.000 2.337 531 A HA 0.948 5.268 4.320 0.000 0.000 0.331 531 A C 0.248 177.837 177.584 0.008 0.000 1.137 531 A CA 0.405 52.449 52.037 0.011 0.000 0.807 531 A CB 1.863 20.856 19.000 -0.012 0.000 1.250 531 A HN 0.515 nan 8.150 nan 0.000 0.468 532 S N -0.423 115.284 115.700 0.012 0.000 2.755 532 S HA 0.374 4.844 4.470 0.000 0.000 0.286 532 S C 0.668 175.254 174.600 -0.024 0.000 1.207 532 S CA 0.196 58.388 58.200 -0.013 0.000 0.892 532 S CB 0.557 63.744 63.200 -0.021 0.000 1.240 532 S HN 0.724 nan 8.310 nan 0.000 0.525 533 E N -0.028 120.138 120.200 -0.058 0.000 2.051 533 E HA -0.036 4.314 4.350 0.000 0.000 0.192 533 E C 1.277 177.856 176.600 -0.036 0.000 0.991 533 E CA 1.435 57.806 56.400 -0.050 0.000 0.799 533 E CB -0.307 29.350 29.700 -0.071 0.000 0.748 533 E HN 0.604 nan 8.360 nan 0.000 0.449 534 L N 0.208 121.397 121.223 -0.056 0.000 2.592 534 L HA 0.228 4.568 4.340 0.000 0.000 0.227 534 L C 0.132 177.053 176.870 0.085 0.000 1.127 534 L CA 0.166 55.013 54.840 0.012 0.000 0.884 534 L CB 0.090 42.160 42.059 0.018 0.000 1.065 534 L HN -0.008 nan 8.230 nan 0.000 0.457 535 E N 0.462 120.711 120.200 0.082 0.000 2.390 535 E HA 0.644 4.994 4.350 0.000 0.000 0.277 535 E C -1.142 175.496 176.600 0.063 0.000 0.939 535 E CA -0.949 55.514 56.400 0.106 0.000 0.769 535 E CB 2.368 32.184 29.700 0.193 0.000 1.251 535 E HN 0.019 nan 8.360 nan 0.000 0.450 536 R N -0.806 119.723 120.500 0.048 0.000 2.739 536 R HA 0.505 4.845 4.340 0.000 0.000 0.266 536 R C -1.777 174.533 176.300 0.016 0.000 1.044 536 R CA -0.694 55.421 56.100 0.025 0.000 0.885 536 R CB 0.770 31.072 30.300 0.003 0.000 1.260 536 R HN 0.336 nan 8.270 nan 0.000 0.477 537 T N 1.086 115.649 114.554 0.016 0.000 2.840 537 T HA 0.814 5.164 4.350 0.000 0.000 0.287 537 T C -0.914 173.798 174.700 0.020 0.000 0.991 537 T CA -0.293 61.813 62.100 0.011 0.000 0.964 537 T CB 1.576 70.454 68.868 0.017 0.000 0.954 537 T HN 0.791 nan 8.240 nan 0.000 0.438 538 A N 3.961 126.789 122.820 0.013 0.000 2.292 538 A HA 0.849 5.169 4.320 0.000 0.000 0.319 538 A C -0.439 177.197 177.584 0.087 0.000 1.206 538 A CA -0.661 51.408 52.037 0.053 0.000 0.835 538 A CB 0.295 19.292 19.000 -0.004 0.000 1.164 538 A HN 0.873 nan 8.150 nan 0.000 0.505 539 I N 3.386 124.065 120.570 0.182 0.000 2.439 539 I HA 0.484 4.654 4.170 0.000 0.000 0.285 539 I C -1.114 175.190 176.117 0.312 0.000 1.021 539 I CA -0.521 60.861 61.300 0.136 0.000 1.091 539 I CB 1.327 39.443 38.000 0.194 0.000 1.242 539 I HN 0.799 nan 8.210 nan 0.000 0.439 540 Y N 4.668 125.094 120.300 0.211 0.000 2.609 540 Y HA 0.557 5.107 4.550 0.000 0.000 0.336 540 Y C -1.640 174.375 175.900 0.191 0.000 1.129 540 Y CA -1.562 56.706 58.100 0.279 0.000 1.040 540 Y CB 0.789 39.490 38.460 0.402 0.000 1.310 540 Y HN 0.411 nan 8.280 nan 0.000 0.460 541 Y N 2.054 122.530 120.300 0.294 0.000 2.320 541 Y HA 0.555 5.105 4.550 0.000 0.000 0.324 541 Y C -0.497 175.432 175.900 0.047 0.000 1.190 541 Y CA -0.542 57.571 58.100 0.023 0.000 1.215 541 Y CB 1.576 39.985 38.460 -0.085 0.000 1.221 541 Y HN 0.817 nan 8.280 nan 0.000 0.486 542 Q N 4.533 123.843 119.800 -0.817 0.000 2.274 542 Q HA 0.261 4.601 4.340 0.000 0.000 0.268 542 Q C -0.698 174.809 176.000 -0.823 0.000 1.015 542 Q CA -0.484 55.022 55.803 -0.495 0.000 0.775 542 Q CB 0.960 29.597 28.738 -0.168 0.000 1.256 542 Q HN 0.883 nan 8.270 nan 0.000 0.442 543 F N 0.550 120.240 119.950 -0.432 0.000 2.293 543 F HA -0.156 4.371 4.527 0.000 0.000 0.297 543 F C 2.467 178.142 175.800 -0.209 0.000 1.089 543 F CA 1.420 59.238 58.000 -0.302 0.000 1.377 543 F CB 0.105 38.998 39.000 -0.179 0.000 1.051 543 F HN 0.659 nan 8.300 nan 0.000 0.511 544 S N 1.266 116.963 115.700 -0.005 0.000 2.381 544 S HA -0.293 4.177 4.470 0.000 0.000 0.230 544 S C 1.389 175.954 174.600 -0.058 0.000 1.052 544 S CA 1.885 60.071 58.200 -0.023 0.000 1.068 544 S CB -0.890 62.288 63.200 -0.037 0.000 0.918 544 S HN 0.574 nan 8.310 nan 0.000 0.448 545 N N 0.457 119.075 118.700 -0.137 0.000 2.299 545 N HA 0.125 4.865 4.740 0.000 0.000 0.246 545 N C -0.841 174.520 175.510 -0.249 0.000 1.254 545 N CA 0.141 53.092 53.050 -0.166 0.000 0.879 545 N CB -0.697 37.688 38.487 -0.170 0.000 1.214 545 N HN 0.607 nan 8.380 nan 0.000 0.510 546 E N 0.108 120.134 120.200 -0.291 0.000 2.197 546 E HA -0.174 4.177 4.350 0.000 0.000 0.184 546 E C -1.045 175.273 176.600 -0.470 0.000 1.439 546 E CA 0.620 56.797 56.400 -0.372 0.000 0.688 546 E CB -1.531 28.146 29.700 -0.039 0.000 1.090 546 E HN 0.446 nan 8.360 nan 0.000 0.341 547 S N 0.321 115.600 115.700 -0.703 0.000 2.569 547 S HA 0.567 5.037 4.470 0.000 0.000 0.280 547 S C -0.219 174.059 174.600 -0.537 0.000 1.111 547 S CA -0.849 57.025 58.200 -0.542 0.000 0.887 547 S CB 1.664 64.605 63.200 -0.432 0.000 1.095 547 S HN 0.241 nan 8.310 nan 0.000 0.476 548 L N 2.370 123.369 121.223 -0.373 0.000 2.292 548 L HA 0.618 4.958 4.340 0.000 0.000 0.284 548 L C -0.984 175.739 176.870 -0.245 0.000 1.065 548 L CA -0.533 54.166 54.840 -0.235 0.000 0.806 548 L CB 1.182 43.068 42.059 -0.287 0.000 1.175 548 L HN 0.350 nan 8.230 nan 0.000 0.431 549 V N 4.129 123.813 119.914 -0.382 0.000 2.656 549 V HA 0.406 4.526 4.120 0.000 0.000 0.307 549 V C -0.310 175.499 176.094 -0.474 0.000 1.051 549 V CA -0.695 61.311 62.300 -0.490 0.000 0.893 549 V CB 2.325 33.680 31.823 -0.780 0.000 0.999 549 V HN 0.367 nan 8.190 nan 0.000 0.426 550 V N 3.171 122.935 119.914 -0.251 0.000 2.304 550 V HA 0.345 4.465 4.120 0.000 0.000 0.278 550 V C -0.398 175.621 176.094 -0.125 0.000 1.018 550 V CA -0.451 61.754 62.300 -0.159 0.000 0.814 550 V CB 1.440 33.215 31.823 -0.079 0.000 1.021 550 V HN 0.913 nan 8.190 nan 0.000 0.440 551 D N 4.572 124.915 120.400 -0.096 0.000 2.316 551 D HA 0.271 4.911 4.640 0.000 0.000 0.245 551 D C 0.675 176.953 176.300 -0.036 0.000 1.171 551 D CA -0.391 53.595 54.000 -0.022 0.000 0.856 551 D CB 1.076 41.925 40.800 0.082 0.000 1.090 551 D HN 0.459 nan 8.370 nan 0.000 0.476 552 R N 1.633 122.096 120.500 -0.062 0.000 2.546 552 R HA 0.080 4.420 4.340 0.000 0.000 0.320 552 R C 1.857 178.120 176.300 -0.062 0.000 1.021 552 R CA -0.050 56.004 56.100 -0.078 0.000 1.088 552 R CB 0.349 30.562 30.300 -0.145 0.000 1.278 552 R HN 0.347 nan 8.270 nan 0.000 0.557 553 S N 0.534 116.213 115.700 -0.036 0.000 2.419 553 S HA -0.208 4.262 4.470 0.000 0.000 0.233 553 S C 1.537 176.126 174.600 -0.018 0.000 1.016 553 S CA 0.986 59.172 58.200 -0.023 0.000 0.974 553 S CB 0.007 63.203 63.200 -0.007 0.000 0.786 553 S HN 0.393 nan 8.310 nan 0.000 0.492 554 Q N -0.096 119.697 119.800 -0.013 0.000 2.171 554 Q HA 0.298 4.638 4.340 0.000 0.000 0.218 554 Q C 2.005 178.016 176.000 0.018 0.000 0.822 554 Q CA 0.558 56.363 55.803 0.003 0.000 0.987 554 Q CB 0.073 28.812 28.738 0.002 0.000 1.144 554 Q HN 0.764 nan 8.270 nan 0.000 0.494 555 T N 0.399 114.955 114.554 0.003 0.000 2.684 555 T HA -0.093 4.257 4.350 0.000 0.000 0.267 555 T C 1.164 175.899 174.700 0.058 0.000 1.036 555 T CA 1.798 63.909 62.100 0.017 0.000 1.148 555 T CB -0.214 68.641 68.868 -0.023 0.000 0.863 555 T HN 0.307 nan 8.240 nan 0.000 0.436 556 S N -0.421 115.305 115.700 0.044 0.000 2.552 556 S HA 0.749 5.219 4.470 0.000 0.000 0.314 556 S C 1.138 175.781 174.600 0.073 0.000 1.099 556 S CA 0.137 58.392 58.200 0.093 0.000 1.070 556 S CB 1.197 64.432 63.200 0.058 0.000 0.998 556 S HN 0.780 nan 8.310 nan 0.000 0.474 557 A N 1.800 124.693 122.820 0.122 0.000 2.172 557 A HA 0.356 4.676 4.320 0.000 0.000 0.216 557 A C 2.004 179.533 177.584 -0.091 0.000 1.154 557 A CA 1.914 53.986 52.037 0.058 0.000 0.701 557 A CB -0.423 18.683 19.000 0.178 0.000 0.789 557 A HN 1.483 nan 8.150 nan 0.000 0.465 558 A N -0.896 121.865 122.820 -0.098 0.000 2.147 558 A HA 0.507 4.827 4.320 0.000 0.000 0.211 558 A C 2.239 179.754 177.584 -0.116 0.000 1.160 558 A CA 1.078 52.999 52.037 -0.194 0.000 0.781 558 A CB -0.518 18.380 19.000 -0.170 0.000 0.842 558 A HN 0.812 nan 8.150 nan 0.000 0.475 559 A N 1.126 123.906 122.820 -0.066 0.000 1.933 559 A HA -0.006 4.314 4.320 0.000 0.000 0.218 559 A C 0.170 177.712 177.584 -0.070 0.000 1.175 559 A CA 1.744 53.739 52.037 -0.070 0.000 0.628 559 A CB -1.577 17.386 19.000 -0.062 0.000 0.814 559 A HN 0.409 nan 8.150 nan 0.000 0.444 560 P HA -0.179 nan 4.420 nan 0.000 0.216 560 P C 1.457 178.718 177.300 -0.066 0.000 1.157 560 P CA 2.390 65.456 63.100 -0.057 0.000 0.880 560 P CB -0.205 31.463 31.700 -0.054 0.000 0.791 561 T N -6.491 108.010 114.554 -0.089 0.000 3.069 561 T HA 0.191 4.541 4.350 0.000 0.000 0.252 561 T C 0.344 174.985 174.700 -0.099 0.000 1.053 561 T CA -0.244 61.801 62.100 -0.092 0.000 0.964 561 T CB -0.818 67.985 68.868 -0.109 0.000 1.005 561 T HN -0.009 nan 8.240 nan 0.000 0.532 562 N N 2.625 121.264 118.700 -0.101 0.000 2.790 562 N HA 0.302 5.042 4.740 0.000 0.000 0.256 562 N C -2.238 173.223 175.510 -0.082 0.000 1.409 562 N CA -1.609 51.377 53.050 -0.107 0.000 0.799 562 N CB 1.902 40.306 38.487 -0.138 0.000 1.170 562 N HN 0.084 nan 8.380 nan 0.000 0.507 563 P HA -0.143 nan 4.420 nan 0.000 0.226 563 P C 1.308 178.599 177.300 -0.014 0.000 1.146 563 P CA 0.883 63.964 63.100 -0.032 0.000 0.773 563 P CB 0.282 31.969 31.700 -0.022 0.000 0.772 564 G N 0.027 108.816 108.800 -0.019 0.000 2.448 564 G HA2 -0.119 3.841 3.960 0.000 0.000 0.219 564 G HA3 -0.119 3.841 3.960 0.000 0.000 0.219 564 G C 0.615 175.583 174.900 0.115 0.000 1.127 564 G CA 0.175 45.309 45.100 0.056 0.000 0.766 564 G HN 0.208 nan 8.290 nan 0.000 0.552 565 L N 3.241 124.465 121.223 0.002 0.000 2.334 565 L HA 0.216 4.556 4.340 0.000 0.000 0.286 565 L C -0.104 176.705 176.870 -0.102 0.000 1.108 565 L CA -1.054 53.754 54.840 -0.053 0.000 0.875 565 L CB 0.516 42.499 42.059 -0.128 0.000 1.246 565 L HN 0.219 nan 8.230 nan 0.000 0.439 566 D N 0.913 121.233 120.400 -0.133 0.000 2.488 566 D HA -0.037 4.603 4.640 0.000 0.000 0.238 566 D C 0.652 176.758 176.300 -0.324 0.000 1.138 566 D CA 0.149 54.035 54.000 -0.190 0.000 0.873 566 D CB 0.999 41.654 40.800 -0.242 0.000 1.183 566 D HN 0.477 nan 8.370 nan 0.000 0.458 567 S N 0.490 116.036 115.700 -0.257 0.000 2.819 567 S HA 0.153 4.623 4.470 0.000 0.000 0.249 567 S C 0.444 174.917 174.600 -0.212 0.000 1.030 567 S CA -0.962 57.098 58.200 -0.233 0.000 1.052 567 S CB -0.694 62.444 63.200 -0.104 0.000 1.017 567 S HN 0.444 nan 8.310 nan 0.000 0.576 568 F N 2.152 122.036 119.950 -0.110 0.000 2.490 568 F HA 0.618 5.145 4.527 0.000 0.000 0.336 568 F C 0.396 176.146 175.800 -0.083 0.000 1.178 568 F CA -0.787 57.150 58.000 -0.105 0.000 1.301 568 F CB -0.771 38.135 39.000 -0.157 0.000 1.175 568 F HN -0.167 nan 8.300 nan 0.000 0.593 569 T N 2.578 117.238 114.554 0.178 0.000 2.901 569 T HA 0.129 4.479 4.350 0.000 0.000 0.301 569 T C -0.133 174.667 174.700 0.167 0.000 1.012 569 T CA -0.358 61.795 62.100 0.089 0.000 1.135 569 T CB 0.206 69.112 68.868 0.064 0.000 0.936 569 T HN 0.513 nan 8.240 nan 0.000 0.539 570 E N 1.670 121.904 120.200 0.058 0.000 2.202 570 E HA 0.621 4.971 4.350 0.000 0.000 0.272 570 E C -0.410 176.201 176.600 0.019 0.000 0.951 570 E CA -0.655 55.806 56.400 0.102 0.000 0.813 570 E CB 2.029 31.762 29.700 0.055 0.000 1.151 570 E HN 0.736 nan 8.360 nan 0.000 0.398 571 S N -0.231 115.487 115.700 0.031 0.000 2.567 571 S HA 0.759 5.229 4.470 0.000 0.000 0.270 571 S C -0.681 173.834 174.600 -0.141 0.000 1.152 571 S CA -0.756 57.399 58.200 -0.076 0.000 0.835 571 S CB 1.801 64.921 63.200 -0.133 0.000 1.115 571 S HN 0.583 nan 8.310 nan 0.000 0.459 572 G N 1.130 109.726 108.800 -0.340 0.000 2.706 572 G HA2 0.598 4.558 3.960 0.000 0.000 0.297 572 G HA3 0.598 4.558 3.960 0.000 0.000 0.297 572 G C -1.526 172.721 174.900 -1.087 0.000 1.403 572 G CA -0.913 43.514 45.100 -1.122 0.000 0.954 572 G HN 0.588 nan 8.290 nan 0.000 0.500 573 K N 0.500 119.840 120.400 -1.766 0.000 2.298 573 K HA 0.408 4.728 4.320 0.000 0.000 0.280 573 K C -0.993 175.552 176.600 -0.091 0.000 1.032 573 K CA -0.466 55.411 56.287 -0.684 0.000 0.958 573 K CB 1.939 34.144 32.500 -0.491 0.000 0.978 573 K HN 0.344 nan 8.250 nan 0.000 0.472 574 L N 2.579 123.798 121.223 -0.006 0.000 2.611 574 L HA 0.264 4.604 4.340 0.000 0.000 0.263 574 L C -0.762 176.197 176.870 0.148 0.000 0.969 574 L CA -0.306 54.595 54.840 0.101 0.000 0.894 574 L CB 1.438 43.332 42.059 -0.275 0.000 1.229 574 L HN 0.585 nan 8.230 nan 0.000 0.416 575 R N 4.994 125.587 120.500 0.156 0.000 2.254 575 R HA 0.630 4.970 4.340 0.000 0.000 0.318 575 R C -1.361 174.663 176.300 -0.460 0.000 1.031 575 R CA -0.506 55.512 56.100 -0.136 0.000 0.905 575 R CB 0.721 30.825 30.300 -0.327 0.000 1.050 575 R HN 0.751 nan 8.270 nan 0.000 0.456 576 L N 6.442 127.492 121.223 -0.288 0.000 2.264 576 L HA 0.339 4.679 4.340 0.000 0.000 0.287 576 L C -0.402 176.348 176.870 -0.201 0.000 1.039 576 L CA -0.610 54.107 54.840 -0.205 0.000 0.829 576 L CB 0.409 42.424 42.059 -0.074 0.000 1.211 576 L HN 0.572 nan 8.230 nan 0.000 0.427 577 F N 1.003 120.935 119.950 -0.030 0.000 2.426 577 F HA 0.105 4.632 4.527 0.000 0.000 0.309 577 F C 1.065 176.866 175.800 0.002 0.000 1.246 577 F CA -0.171 57.803 58.000 -0.043 0.000 1.229 577 F CB 0.344 39.258 39.000 -0.142 0.000 1.255 577 F HN 0.407 nan 8.300 nan 0.000 0.558 578 D N 0.913 121.450 120.400 0.228 0.000 2.225 578 D HA 0.444 5.084 4.640 0.000 0.000 0.248 578 D C -0.457 175.903 176.300 0.099 0.000 1.096 578 D CA 0.093 54.169 54.000 0.127 0.000 0.863 578 D CB 1.549 42.408 40.800 0.098 0.000 1.156 578 D HN 0.318 nan 8.370 nan 0.000 0.450 579 V N -0.518 119.437 119.914 0.068 0.000 3.130 579 V HA 0.589 4.709 4.120 0.000 0.000 0.310 579 V C -0.576 175.534 176.094 0.025 0.000 1.158 579 V CA -1.143 61.181 62.300 0.040 0.000 1.029 579 V CB 2.406 34.252 31.823 0.039 0.000 1.057 579 V HN 0.479 nan 8.190 nan 0.000 0.436 580 I N 1.026 121.604 120.570 0.013 0.000 2.355 580 I HA 0.530 4.700 4.170 0.000 0.000 0.288 580 I C 0.657 176.778 176.117 0.006 0.000 0.999 580 I CA -0.147 61.158 61.300 0.009 0.000 1.163 580 I CB 1.620 39.623 38.000 0.005 0.000 1.316 580 I HN 1.061 nan 8.210 nan 0.000 0.454 581 E N 5.143 125.346 120.200 0.005 0.000 2.290 581 E HA 0.169 4.519 4.350 0.000 0.000 0.197 581 E C -0.217 176.383 176.600 -0.000 0.000 0.948 581 E CA 0.215 56.617 56.400 0.002 0.000 0.895 581 E CB 0.566 30.267 29.700 0.001 0.000 0.865 581 E HN 0.653 nan 8.360 nan 0.000 0.486 582 N N -0.527 118.172 118.700 -0.000 0.000 2.666 582 N HA 0.142 4.882 4.740 0.000 0.000 0.253 582 N C -0.170 175.339 175.510 -0.001 0.000 1.621 582 N CA 0.551 53.600 53.050 -0.002 0.000 0.785 582 N CB 1.290 39.775 38.487 -0.003 0.000 1.332 582 N HN 0.279 nan 8.380 nan 0.000 0.514 583 G N 1.018 109.818 108.800 -0.000 0.000 2.353 583 G HA2 -0.345 3.615 3.960 0.000 0.000 0.258 583 G HA3 -0.345 3.615 3.960 0.000 0.000 0.258 583 G C 0.239 175.140 174.900 0.001 0.000 1.013 583 G CA 0.696 45.796 45.100 0.000 0.000 0.622 583 G HN 0.515 nan 8.290 nan 0.000 0.535 584 Q N 0.718 120.518 119.800 0.001 0.000 2.293 584 Q HA 0.550 4.890 4.340 0.000 0.000 0.261 584 Q C 0.043 176.046 176.000 0.005 0.000 0.960 584 Q CA -0.622 55.182 55.803 0.002 0.000 0.882 584 Q CB 0.947 29.684 28.738 -0.001 0.000 1.275 584 Q HN 0.475 nan 8.270 nan 0.000 0.445 585 E N 2.729 122.933 120.200 0.007 0.000 2.383 585 E HA 0.067 4.417 4.350 0.000 0.000 0.264 585 E C -1.129 175.479 176.600 0.015 0.000 1.050 585 E CA 0.065 56.473 56.400 0.014 0.000 0.896 585 E CB 0.694 30.404 29.700 0.016 0.000 0.982 585 E HN 0.656 nan 8.360 nan 0.000 0.424 586 Q N 0.551 120.365 119.800 0.023 0.000 2.522 586 Q HA 0.387 4.727 4.340 0.000 0.000 0.285 586 Q C -1.566 174.463 176.000 0.048 0.000 0.982 586 Q CA -1.005 54.814 55.803 0.026 0.000 0.805 586 Q CB 1.147 29.894 28.738 0.015 0.000 1.457 586 Q HN 0.291 nan 8.270 nan 0.000 0.394 587 V N 1.836 121.789 119.914 0.065 0.000 2.572 587 V HA 0.044 4.164 4.120 0.000 0.000 0.291 587 V C 0.448 176.598 176.094 0.093 0.000 1.039 587 V CA 0.018 62.384 62.300 0.109 0.000 1.055 587 V CB 0.874 32.809 31.823 0.188 0.000 0.969 587 V HN 0.852 nan 8.190 nan 0.000 0.482 588 E N 3.434 123.689 120.200 0.090 0.000 2.568 588 E HA -0.048 4.302 4.350 0.000 0.000 0.262 588 E C -0.099 176.518 176.600 0.028 0.000 0.961 588 E CA -0.219 56.217 56.400 0.060 0.000 0.945 588 E CB 0.478 30.226 29.700 0.080 0.000 0.924 588 E HN 0.754 nan 8.360 nan 0.000 0.467 589 T N 4.698 119.249 114.554 -0.006 0.000 2.916 589 T HA 0.087 4.437 4.350 0.000 0.000 0.303 589 T C -0.045 174.615 174.700 -0.066 0.000 1.025 589 T CA -0.382 61.685 62.100 -0.056 0.000 1.142 589 T CB 0.349 69.186 68.868 -0.050 0.000 0.947 589 T HN 0.383 nan 8.240 nan 0.000 0.544 590 L N 3.913 125.060 121.223 -0.126 0.000 2.295 590 L HA 0.383 4.723 4.340 0.000 0.000 0.288 590 L C -0.290 176.553 176.870 -0.046 0.000 1.079 590 L CA -0.434 54.334 54.840 -0.121 0.000 0.830 590 L CB 0.254 42.209 42.059 -0.174 0.000 1.200 590 L HN 0.507 nan 8.230 nan 0.000 0.438 591 D N 4.833 125.234 120.400 0.002 0.000 2.428 591 D HA 0.324 4.964 4.640 0.000 0.000 0.221 591 D C -0.777 175.583 176.300 0.100 0.000 1.123 591 D CA -0.054 53.977 54.000 0.052 0.000 0.869 591 D CB 0.431 41.261 40.800 0.050 0.000 1.032 591 D HN 0.543 nan 8.370 nan 0.000 0.506 592 L N 3.133 124.439 121.223 0.138 0.000 2.325 592 L HA 0.519 4.859 4.340 0.000 0.000 0.279 592 L C -0.008 176.970 176.870 0.180 0.000 1.054 592 L CA -0.481 54.471 54.840 0.187 0.000 0.804 592 L CB 1.918 44.129 42.059 0.252 0.000 1.200 592 L HN 0.320 nan 8.230 nan 0.000 0.436 593 T N 2.312 116.993 114.554 0.211 0.000 2.965 593 T HA 0.379 4.729 4.350 0.000 0.000 0.306 593 T C -0.612 174.240 174.700 0.254 0.000 0.991 593 T CA -0.360 61.853 62.100 0.188 0.000 1.001 593 T CB 1.530 70.478 68.868 0.135 0.000 0.984 593 T HN 0.140 nan 8.240 nan 0.000 0.446 594 V N 4.195 124.220 119.914 0.185 0.000 2.357 594 V HA 0.449 4.569 4.120 0.000 0.000 0.284 594 V C -0.030 176.124 176.094 0.100 0.000 1.018 594 V CA -0.767 61.630 62.300 0.163 0.000 0.841 594 V CB 1.638 33.534 31.823 0.122 0.000 0.991 594 V HN 0.688 nan 8.190 nan 0.000 0.437 595 V N 6.038 126.020 119.914 0.113 0.000 2.370 595 V HA 0.425 4.545 4.120 0.000 0.000 0.279 595 V C -0.074 175.958 176.094 -0.103 0.000 1.029 595 V CA -0.486 61.834 62.300 0.034 0.000 0.870 595 V CB 1.724 33.642 31.823 0.159 0.000 0.984 595 V HN 0.601 nan 8.190 nan 0.000 0.451 596 V N 3.893 123.597 119.914 -0.350 0.000 2.350 596 V HA 0.403 4.523 4.120 0.000 0.000 0.285 596 V C -0.391 175.508 176.094 -0.325 0.000 1.014 596 V CA -0.398 61.617 62.300 -0.475 0.000 0.831 596 V CB 1.668 32.877 31.823 -1.024 0.000 1.000 596 V HN 0.857 nan 8.190 nan 0.000 0.433 597 D N 5.516 125.826 120.400 -0.149 0.000 2.485 597 D HA 0.294 4.934 4.640 0.000 0.000 0.256 597 D C 0.655 176.911 176.300 -0.074 0.000 1.141 597 D CA 0.196 54.216 54.000 0.034 0.000 0.942 597 D CB 0.186 41.085 40.800 0.165 0.000 1.003 597 D HN 0.564 nan 8.370 nan 0.000 0.507 598 N N 1.951 120.362 118.700 -0.481 0.000 1.404 598 N HA -0.333 4.407 4.740 0.000 0.000 0.158 598 N C 0.714 176.170 175.510 -0.091 0.000 0.802 598 N CA 2.410 55.246 53.050 -0.356 0.000 1.056 598 N CB -1.216 37.267 38.487 -0.008 0.000 1.314 598 N HN 0.325 nan 8.380 nan 0.000 0.482 599 A N 0.452 123.363 122.820 0.152 0.000 2.178 599 A HA 0.361 4.681 4.320 0.000 0.000 0.211 599 A C 0.653 178.261 177.584 0.040 0.000 1.157 599 A CA 0.904 53.058 52.037 0.195 0.000 0.780 599 A CB 0.046 19.286 19.000 0.399 0.000 0.828 599 A HN 0.342 nan 8.150 nan 0.000 0.476 600 V N 1.457 121.285 119.914 -0.144 0.000 2.427 600 V HA 0.241 4.361 4.120 0.000 0.000 0.268 600 V C -0.343 175.555 176.094 -0.328 0.000 1.046 600 V CA -0.044 61.962 62.300 -0.489 0.000 0.970 600 V CB 0.937 32.310 31.823 -0.750 0.000 1.001 600 V HN 0.119 nan 8.190 nan 0.000 0.476 601 V N 5.497 125.232 119.914 -0.299 0.000 2.409 601 V HA 0.432 4.552 4.120 0.000 0.000 0.291 601 V C -0.080 175.920 176.094 -0.157 0.000 1.020 601 V CA -0.605 61.583 62.300 -0.186 0.000 0.848 601 V CB 1.715 33.457 31.823 -0.136 0.000 0.990 601 V HN 0.909 nan 8.190 nan 0.000 0.430 602 E N 3.514 123.665 120.200 -0.081 0.000 2.191 602 E HA 0.524 4.874 4.350 0.000 0.000 0.263 602 E C -1.338 175.231 176.600 -0.051 0.000 0.881 602 E CA -0.573 55.765 56.400 -0.102 0.000 0.757 602 E CB 2.567 32.251 29.700 -0.028 0.000 1.147 602 E HN 0.441 nan 8.360 nan 0.000 0.414 603 V N 4.489 124.346 119.914 -0.095 0.000 2.328 603 V HA 0.277 4.397 4.120 0.000 0.000 0.278 603 V C -0.905 175.234 176.094 0.076 0.000 1.021 603 V CA -0.589 61.758 62.300 0.078 0.000 0.838 603 V CB -0.124 31.801 31.823 0.170 0.000 0.999 603 V HN 0.580 nan 8.190 nan 0.000 0.447 604 Y N 2.637 123.074 120.300 0.229 0.000 2.420 604 Y HA 0.805 5.355 4.550 0.000 0.000 0.334 604 Y C 0.366 176.433 175.900 0.279 0.000 1.094 604 Y CA -0.560 57.696 58.100 0.259 0.000 1.126 604 Y CB 2.180 40.732 38.460 0.153 0.000 1.217 604 Y HN 0.699 nan 8.280 nan 0.000 0.462 605 A N 1.825 124.940 122.820 0.492 0.000 2.517 605 A HA 0.396 4.716 4.320 0.000 0.000 0.297 605 A C -0.278 177.457 177.584 0.251 0.000 1.050 605 A CA -0.929 51.280 52.037 0.287 0.000 0.694 605 A CB 0.656 19.722 19.000 0.110 0.000 1.277 605 A HN 0.996 nan 8.150 nan 0.000 0.400 606 N N 0.889 119.682 118.700 0.155 0.000 2.666 606 N HA -0.287 4.453 4.740 0.000 0.000 0.248 606 N C 1.022 176.622 175.510 0.149 0.000 1.118 606 N CA 1.275 54.401 53.050 0.127 0.000 0.722 606 N CB -0.670 37.881 38.487 0.106 0.000 1.050 606 N HN 2.189 nan 8.380 nan 0.000 0.550 607 G N 0.640 109.540 108.800 0.166 0.000 2.233 607 G HA2 -0.364 3.596 3.960 0.000 0.000 0.270 607 G HA3 -0.364 3.596 3.960 0.000 0.000 0.270 607 G C 0.589 175.586 174.900 0.162 0.000 1.011 607 G CA 1.165 46.349 45.100 0.139 0.000 0.762 607 G HN 0.808 nan 8.290 nan 0.000 0.511 608 R N -2.067 118.582 120.500 0.249 0.000 2.504 608 R HA 0.552 4.892 4.340 0.000 0.000 0.396 608 R C -0.088 176.476 176.300 0.439 0.000 0.896 608 R CA -0.419 55.846 56.100 0.275 0.000 1.152 608 R CB 0.172 30.636 30.300 0.273 0.000 1.681 608 R HN 0.577 nan 8.270 nan 0.000 0.537 609 F N 1.272 121.386 119.950 0.273 0.000 2.591 609 F HA 0.782 5.309 4.527 0.000 0.000 0.309 609 F C -1.787 174.156 175.800 0.239 0.000 1.098 609 F CA -0.660 57.532 58.000 0.320 0.000 0.937 609 F CB 2.342 41.504 39.000 0.271 0.000 1.250 609 F HN 0.110 nan 8.300 nan 0.000 0.447 610 A N 5.362 127.885 122.820 -0.496 0.000 2.459 610 A HA 0.751 5.071 4.320 0.000 0.000 0.296 610 A C -2.635 174.610 177.584 -0.565 0.000 1.039 610 A CA -0.536 51.222 52.037 -0.464 0.000 0.698 610 A CB 1.639 20.459 19.000 -0.299 0.000 1.261 610 A HN 0.969 nan 8.150 nan 0.000 0.405 611 L N 1.896 122.899 121.223 -0.366 0.000 2.482 611 L HA 0.744 5.084 4.340 0.000 0.000 0.269 611 L C -0.830 175.968 176.870 -0.120 0.000 0.967 611 L CA 0.154 54.898 54.840 -0.159 0.000 0.851 611 L CB 1.865 43.922 42.059 -0.003 0.000 1.242 611 L HN 0.582 nan 8.230 nan 0.000 0.404 612 S N 2.481 118.115 115.700 -0.110 0.000 2.568 612 S HA 0.942 5.412 4.470 0.000 0.000 0.302 612 S C -0.484 174.024 174.600 -0.154 0.000 1.082 612 S CA -0.541 57.566 58.200 -0.155 0.000 1.009 612 S CB 2.054 65.144 63.200 -0.183 0.000 1.069 612 S HN 0.802 nan 8.310 nan 0.000 0.500 613 T N 0.047 114.455 114.554 -0.243 0.000 2.693 613 T HA 0.528 4.878 4.350 0.000 0.000 0.304 613 T C -2.205 172.270 174.700 -0.375 0.000 1.471 613 T CA -0.636 61.317 62.100 -0.244 0.000 0.993 613 T CB 0.372 69.165 68.868 -0.124 0.000 1.554 613 T HN 0.579 nan 8.240 nan 0.000 0.496 614 W N 1.455 122.628 121.300 -0.212 0.000 2.429 614 W HA 0.712 5.372 4.660 0.000 0.000 0.314 614 W C -0.041 176.330 176.519 -0.246 0.000 1.062 614 W CA -0.708 56.488 57.345 -0.248 0.000 1.211 614 W CB 1.576 30.837 29.460 -0.332 0.000 1.305 614 W HN 0.768 nan 8.180 nan 0.000 0.476 615 A N 4.176 127.018 122.820 0.036 0.000 2.664 615 A HA 0.474 4.794 4.320 0.000 0.000 0.338 615 A C -0.196 177.388 177.584 0.000 0.000 1.280 615 A CA -0.848 51.178 52.037 -0.018 0.000 0.809 615 A CB 0.148 19.134 19.000 -0.022 0.000 1.114 615 A HN 0.738 nan 8.150 nan 0.000 0.479 616 R N 2.086 122.521 120.500 -0.108 0.000 4.138 616 R HA 0.166 4.506 4.340 0.000 0.000 0.206 616 R C 0.426 176.802 176.300 0.127 0.000 1.667 616 R CA 0.084 56.080 56.100 -0.174 0.000 1.481 616 R CB 0.097 29.791 30.300 -1.009 0.000 1.388 616 R HN 0.772 nan 8.270 nan 0.000 0.776 617 S N -0.088 115.744 115.700 0.220 0.000 2.579 617 S HA 0.005 4.475 4.470 0.000 0.000 0.275 617 S C 0.691 175.536 174.600 0.408 0.000 1.345 617 S CA -0.825 57.538 58.200 0.272 0.000 1.031 617 S CB 1.184 64.503 63.200 0.198 0.000 0.892 617 S HN 0.669 nan 8.310 nan 0.000 0.529 618 W N 1.821 123.217 121.300 0.160 0.000 2.726 618 W HA 0.161 4.821 4.660 0.000 0.000 0.285 618 W C -0.462 176.022 176.519 -0.058 0.000 1.110 618 W CA -0.156 57.203 57.345 0.024 0.000 1.579 618 W CB -0.297 29.066 29.460 -0.162 0.000 1.118 618 W HN 0.708 nan 8.180 nan 0.000 0.556 619 Y N 3.368 123.787 120.300 0.198 0.000 2.597 619 Y HA -0.081 4.469 4.550 0.000 0.000 0.336 619 Y C 1.697 177.582 175.900 -0.024 0.000 1.216 619 Y CA 0.716 58.857 58.100 0.068 0.000 1.463 619 Y CB 0.246 38.807 38.460 0.167 0.000 1.303 619 Y HN -0.046 nan 8.280 nan 0.000 0.576 620 D N 0.770 121.234 120.400 0.107 0.000 2.178 620 D HA -0.176 4.464 4.640 0.000 0.000 0.201 620 D C 1.050 177.400 176.300 0.082 0.000 0.980 620 D CA 1.289 55.317 54.000 0.047 0.000 0.842 620 D CB -0.028 40.788 40.800 0.025 0.000 0.948 620 D HN 0.573 nan 8.370 nan 0.000 0.472 621 N N 0.202 118.972 118.700 0.117 0.000 2.461 621 N HA -0.020 4.720 4.740 0.000 0.000 0.188 621 N C -0.024 175.524 175.510 0.063 0.000 1.134 621 N CA 0.157 53.248 53.050 0.069 0.000 0.878 621 N CB 0.243 38.752 38.487 0.037 0.000 0.972 621 N HN -0.117 nan 8.380 nan 0.000 0.456 622 S N 0.647 116.412 115.700 0.108 0.000 4.139 622 S HA 0.086 4.556 4.470 0.000 0.000 0.215 622 S C 1.199 175.836 174.600 0.062 0.000 1.390 622 S CA -0.175 58.081 58.200 0.094 0.000 0.885 622 S CB -0.250 63.046 63.200 0.160 0.000 1.560 622 S HN 0.413 nan 8.310 nan 0.000 0.449 623 T N -2.272 112.294 114.554 0.020 0.000 3.087 623 T HA 0.204 4.555 4.350 0.000 0.000 0.283 623 T C 0.346 174.979 174.700 -0.112 0.000 0.956 623 T CA -0.455 61.635 62.100 -0.016 0.000 0.894 623 T CB 0.192 69.058 68.868 -0.005 0.000 1.160 623 T HN 0.219 nan 8.240 nan 0.000 0.532 624 Q N 1.103 120.848 119.800 -0.091 0.000 2.421 624 Q HA 0.460 4.800 4.340 0.000 0.000 0.255 624 Q C -0.319 175.538 176.000 -0.240 0.000 1.013 624 Q CA 0.318 56.038 55.803 -0.138 0.000 0.895 624 Q CB 1.185 29.880 28.738 -0.073 0.000 1.271 624 Q HN 0.555 nan 8.270 nan 0.000 0.460 625 I N 1.940 122.278 120.570 -0.387 0.000 2.545 625 I HA 0.456 4.626 4.170 0.000 0.000 0.292 625 I C -0.425 175.322 176.117 -0.617 0.000 1.040 625 I CA -0.702 60.197 61.300 -0.668 0.000 1.068 625 I CB 2.037 39.257 38.000 -1.299 0.000 1.251 625 I HN 0.378 nan 8.210 nan 0.000 0.424 626 R N 3.967 124.241 120.500 -0.378 0.000 2.771 626 R HA 0.573 4.913 4.340 0.000 0.000 0.274 626 R C -1.443 174.913 176.300 0.094 0.000 0.987 626 R CA -0.750 55.321 56.100 -0.049 0.000 0.908 626 R CB 2.077 32.419 30.300 0.070 0.000 1.213 626 R HN 0.243 nan 8.270 nan 0.000 0.468 627 F N 1.615 121.716 119.950 0.252 0.000 2.418 627 F HA 0.370 4.897 4.527 0.000 0.000 0.341 627 F C 0.049 175.911 175.800 0.103 0.000 1.120 627 F CA 0.200 58.188 58.000 -0.021 0.000 1.232 627 F CB 0.644 39.478 39.000 -0.276 0.000 1.175 627 F HN 0.315 nan 8.300 nan 0.000 0.569 628 F N 2.781 122.805 119.950 0.123 0.000 2.569 628 F HA 0.530 5.057 4.527 0.000 0.000 0.312 628 F C -1.560 174.418 175.800 0.296 0.000 1.109 628 F CA -0.791 57.315 58.000 0.176 0.000 0.919 628 F CB 1.220 40.298 39.000 0.130 0.000 1.211 628 F HN 0.506 nan 8.300 nan 0.000 0.446 629 H N 4.520 123.082 119.070 -0.845 0.000 3.026 629 H HA 0.281 4.837 4.556 0.000 0.000 0.352 629 H C -0.495 174.378 175.328 -0.758 0.000 1.090 629 H CA -0.871 54.738 56.048 -0.732 0.000 1.268 629 H CB 1.153 30.808 29.762 -0.179 0.000 1.816 629 H HN 0.547 nan 8.280 nan 0.000 0.518 630 N N 3.134 121.159 118.700 -1.126 0.000 2.383 630 N HA 0.122 4.862 4.740 0.000 0.000 0.192 630 N C 1.221 176.407 175.510 -0.540 0.000 1.141 630 N CA 0.632 53.309 53.050 -0.622 0.000 0.851 630 N CB 0.194 38.461 38.487 -0.367 0.000 0.976 630 N HN 0.966 nan 8.380 nan 0.000 0.465 631 G N -0.414 107.851 108.800 -0.892 0.000 2.179 631 G HA2 -0.264 3.697 3.960 0.000 0.000 0.260 631 G HA3 -0.264 3.697 3.960 0.000 0.000 0.260 631 G C -0.490 174.263 174.900 -0.245 0.000 0.977 631 G CA 0.143 45.008 45.100 -0.392 0.000 0.641 631 G HN 0.410 nan 8.290 nan 0.000 0.533 632 E N 1.105 121.096 120.200 -0.347 0.000 2.130 632 E HA 0.529 4.879 4.350 0.000 0.000 0.284 632 E C 1.029 177.640 176.600 0.018 0.000 1.018 632 E CA 0.758 57.086 56.400 -0.122 0.000 0.817 632 E CB 0.619 30.249 29.700 -0.118 0.000 1.078 632 E HN 1.548 nan 8.360 nan 0.000 0.396 633 G N 3.315 112.159 108.800 0.073 0.000 2.642 633 G HA2 -0.258 3.702 3.960 0.000 0.000 0.231 633 G HA3 -0.258 3.702 3.960 0.000 0.000 0.231 633 G C -0.404 174.627 174.900 0.219 0.000 1.338 633 G CA 0.009 45.178 45.100 0.115 0.000 0.883 633 G HN 0.559 nan 8.290 nan 0.000 0.570 634 E N -2.022 118.260 120.200 0.137 0.000 2.393 634 E HA 0.657 5.007 4.350 0.000 0.000 0.273 634 E C -1.550 175.024 176.600 -0.043 0.000 0.918 634 E CA -0.590 55.795 56.400 -0.025 0.000 0.773 634 E CB 2.446 32.127 29.700 -0.031 0.000 1.275 634 E HN 1.462 nan 8.360 nan 0.000 0.451 635 V N 2.544 122.288 119.914 -0.283 0.000 2.851 635 V HA 0.379 4.499 4.120 0.000 0.000 0.307 635 V C -1.861 173.959 176.094 -0.457 0.000 1.129 635 V CA -0.374 61.720 62.300 -0.344 0.000 0.932 635 V CB 2.074 33.668 31.823 -0.383 0.000 1.024 635 V HN 0.760 nan 8.190 nan 0.000 0.426 636 Q N 5.402 124.904 119.800 -0.497 0.000 2.333 636 Q HA 0.527 4.867 4.340 0.000 0.000 0.265 636 Q C -1.630 174.106 176.000 -0.440 0.000 0.989 636 Q CA -0.315 55.279 55.803 -0.349 0.000 0.842 636 Q CB 2.446 31.054 28.738 -0.218 0.000 1.262 636 Q HN 0.696 nan 8.270 nan 0.000 0.451 637 F N 1.973 121.842 119.950 -0.136 0.000 2.408 637 F HA 0.480 5.007 4.527 0.000 0.000 0.344 637 F C 0.544 176.346 175.800 0.003 0.000 1.112 637 F CA -0.425 57.568 58.000 -0.013 0.000 1.096 637 F CB 1.068 40.136 39.000 0.114 0.000 1.129 637 F HN 0.239 nan 8.300 nan 0.000 0.486 638 R N 1.003 121.618 120.500 0.191 0.000 2.808 638 R HA 0.338 4.678 4.340 0.000 0.000 0.272 638 R C -0.475 175.909 176.300 0.141 0.000 0.995 638 R CA -1.293 54.877 56.100 0.116 0.000 0.917 638 R CB 1.611 31.930 30.300 0.032 0.000 1.217 638 R HN 0.739 nan 8.270 nan 0.000 0.471 639 N N -0.281 118.477 118.700 0.097 0.000 2.707 639 N HA -0.181 4.559 4.740 0.000 0.000 0.253 639 N C -0.755 174.826 175.510 0.117 0.000 0.998 639 N CA -0.021 53.080 53.050 0.084 0.000 0.751 639 N CB -0.784 37.741 38.487 0.063 0.000 0.920 639 N HN 0.120 nan 8.380 nan 0.000 0.539 640 V N 0.469 120.471 119.914 0.147 0.000 2.530 640 V HA 0.496 4.616 4.120 0.000 0.000 0.282 640 V C 0.526 176.649 176.094 0.049 0.000 1.048 640 V CA 0.136 62.527 62.300 0.152 0.000 0.997 640 V CB 1.630 33.589 31.823 0.227 0.000 0.987 640 V HN 0.338 nan 8.190 nan 0.000 0.477 641 S N 3.640 119.370 115.700 0.050 0.000 2.547 641 S HA 0.737 5.207 4.470 0.000 0.000 0.270 641 S C -1.561 173.081 174.600 0.070 0.000 1.150 641 S CA -0.470 57.754 58.200 0.041 0.000 0.850 641 S CB 2.003 65.227 63.200 0.041 0.000 1.118 641 S HN 0.415 nan 8.310 nan 0.000 0.461 642 V N 2.676 122.634 119.914 0.073 0.000 2.577 642 V HA 0.673 4.793 4.120 0.000 0.000 0.303 642 V C -0.270 175.879 176.094 0.092 0.000 1.042 642 V CA -0.637 61.715 62.300 0.085 0.000 0.872 642 V CB 1.742 33.583 31.823 0.030 0.000 0.998 642 V HN 0.819 nan 8.190 nan 0.000 0.423 643 S N 4.093 119.875 115.700 0.137 0.000 2.438 643 S HA 0.473 4.943 4.470 0.000 0.000 0.316 643 S C -0.537 174.180 174.600 0.194 0.000 1.084 643 S CA -0.516 57.763 58.200 0.131 0.000 1.107 643 S CB 0.743 64.010 63.200 0.111 0.000 0.981 643 S HN 0.863 nan 8.310 nan 0.000 0.466 644 E N 3.323 123.624 120.200 0.168 0.000 2.204 644 E HA 0.595 4.945 4.350 0.000 0.000 0.276 644 E C 0.929 177.643 176.600 0.189 0.000 0.974 644 E CA 0.088 56.619 56.400 0.219 0.000 0.815 644 E CB 0.945 30.744 29.700 0.165 0.000 1.119 644 E HN 0.906 nan 8.360 nan 0.000 0.393 645 G N 3.769 112.710 108.800 0.235 0.000 2.491 645 G HA2 -0.250 3.710 3.960 0.000 0.000 0.203 645 G HA3 -0.250 3.710 3.960 0.000 0.000 0.203 645 G C 0.517 175.501 174.900 0.139 0.000 1.052 645 G CA -0.179 45.019 45.100 0.164 0.000 0.675 645 G HN 0.699 nan 8.290 nan 0.000 0.504 646 L N -1.892 119.439 121.223 0.179 0.000 7.010 646 L HA -0.192 4.148 4.340 0.000 0.000 0.053 646 L C 0.705 177.718 176.870 0.239 0.000 1.604 646 L CA 2.115 57.081 54.840 0.210 0.000 1.640 646 L CB -1.345 40.819 42.059 0.175 0.000 2.749 646 L HN 1.611 nan 8.230 nan 0.000 1.088 647 Y N -1.902 118.394 120.300 -0.006 0.000 2.725 647 Y HA 0.585 5.135 4.550 0.000 0.000 0.333 647 Y C -0.633 175.250 175.900 -0.029 0.000 1.242 647 Y CA -1.224 56.859 58.100 -0.029 0.000 1.059 647 Y CB 1.189 39.633 38.460 -0.027 0.000 1.306 647 Y HN 0.439 nan 8.280 nan 0.000 0.454 648 N N 0.955 119.592 118.700 -0.104 0.000 2.462 648 N HA 0.370 5.110 4.740 0.000 0.000 0.242 648 N C 0.228 175.643 175.510 -0.158 0.000 1.010 648 N CA 0.407 53.367 53.050 -0.149 0.000 0.939 648 N CB 1.712 40.194 38.487 -0.008 0.000 1.127 648 N HN 0.935 nan 8.380 nan 0.000 0.509 649 A N 3.337 125.964 122.820 -0.323 0.000 2.168 649 A HA -0.004 4.316 4.320 0.000 0.000 0.215 649 A C -0.013 177.375 177.584 -0.327 0.000 1.152 649 A CA 0.369 52.255 52.037 -0.251 0.000 0.716 649 A CB -0.214 18.638 19.000 -0.247 0.000 0.794 649 A HN 0.711 nan 8.150 nan 0.000 0.465 650 W N -0.769 120.561 121.300 0.050 0.000 2.148 650 W HA 0.423 5.083 4.660 0.000 0.000 0.288 650 W C -2.258 174.283 176.519 0.037 0.000 0.920 650 W CA -1.897 55.489 57.345 0.067 0.000 1.904 650 W CB 0.539 30.026 29.460 0.045 0.000 2.083 650 W HN 0.120 nan 8.180 nan 0.000 0.398 651 P HA -0.223 nan 4.420 nan 0.000 0.216 651 P C 1.408 178.773 177.300 0.110 0.000 1.150 651 P CA 1.691 64.852 63.100 0.102 0.000 0.837 651 P CB 0.524 32.255 31.700 0.051 0.000 0.786 652 E N -1.136 119.147 120.200 0.138 0.000 2.418 652 E HA -0.008 4.342 4.350 0.000 0.000 0.197 652 E C 0.890 177.563 176.600 0.121 0.000 1.026 652 E CA 0.452 56.923 56.400 0.118 0.000 0.862 652 E CB -0.248 29.525 29.700 0.121 0.000 0.799 652 E HN 0.244 nan 8.360 nan 0.000 0.518 653 R N 0.000 120.596 120.500 0.160 0.000 2.786 653 R HA 0.000 4.340 4.340 0.000 0.000 0.208 653 R CA 0.000 56.163 56.100 0.105 0.000 0.921 653 R CB 0.000 30.359 30.300 0.098 0.000 0.687 653 R HN 0.000 nan 8.270 nan 0.000 0.535