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 1aoz_1_B DATA FIRST_RESID 1 DATA SEQUENCE SQIRHYKWEV EYMFWAPNcN ENIVMGINGQ FPGPTIRANA GDSVVVELTN DATA SEQUENCE KLHTEGVVIH WHGILQRGTP WADGTASISQ cAINPGETFF YNFTVDNPGT DATA SEQUENCE FFYHGHLGMQ RSAGLYGSLI VDPPQGKKEP FHYDGEINLL LSDWWHQSIH DATA SEQUENCE KQEVGLSSKP IRWIGEPQTI LLNGRGQFDc SIAAKYDSNL EPcKLKGSES DATA SEQUENCE cAPYIFHVSP KKTYRIRIAS TTALAALNFA IGNHQLLVVE ADGNYVQPFY DATA SEQUENCE TSDIDIYSGE SYSVLITTDQ NPSENYWVSV GTRARHPNTP PGLTLLNYLP DATA SEQUENCE NSVSKLPTSP PPQTPAWDDF DRSKNFTYRI TAAMGSPKPP VKFNRRIFLL DATA SEQUENCE NTQNVINGYV KWAINDVSLA LPPTPYLGAM KYNLLHAFDQ NPPPEVFPED DATA SEQUENCE YDIDTPPTNE KTRIGNGVYQ FKIGEVVDVI LQNANMMKEN LSETHPWHLH DATA SEQUENCE GHDFWVLGYG DGKFSAEEES SLNLKNPPLR NTVVIFPYGW TAIRFVADNP DATA SEQUENCE GVWAFHCHIE PHLHMGMGVV FAEGVEKVGR IPTKALAcGG TAKSLINNPK DATA SEQUENCE NP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.587 174.600 -0.021 0.000 1.055 1 S CA 0.000 58.189 58.200 -0.018 0.000 1.107 1 S CB 0.000 63.190 63.200 -0.017 0.000 0.593 2 Q N 1.011 120.793 119.800 -0.029 0.000 2.617 2 Q HA 0.498 4.837 4.340 -0.001 0.000 0.270 2 Q C -2.177 173.793 176.000 -0.049 0.000 0.967 2 Q CA -0.520 55.263 55.803 -0.035 0.000 0.887 2 Q CB 1.240 29.961 28.738 -0.027 0.000 1.516 2 Q HN 0.760 nan 8.270 nan 0.000 0.395 3 I N 3.082 123.618 120.570 -0.056 0.000 2.359 3 I HA 0.496 4.665 4.170 -0.001 0.000 0.294 3 I C -0.348 175.718 176.117 -0.086 0.000 0.987 3 I CA -0.872 60.386 61.300 -0.070 0.000 1.225 3 I CB 1.138 39.103 38.000 -0.058 0.000 1.366 3 I HN 0.340 nan 8.210 nan 0.000 0.466 4 R N 4.488 124.922 120.500 -0.111 0.000 2.288 4 R HA 0.363 4.702 4.340 -0.001 0.000 0.326 4 R C -0.953 175.174 176.300 -0.287 0.000 0.959 4 R CA -0.881 55.108 56.100 -0.185 0.000 0.834 4 R CB 0.956 31.233 30.300 -0.037 0.000 1.157 4 R HN 0.557 nan 8.270 nan 0.000 0.470 5 H N 2.219 120.980 119.070 -0.515 0.000 2.476 5 H HA 0.403 4.958 4.556 -0.001 0.000 0.328 5 H C -1.136 173.763 175.328 -0.715 0.000 1.073 5 H CA -0.327 55.463 56.048 -0.431 0.000 1.229 5 H CB 0.606 30.227 29.762 -0.235 0.000 1.432 5 H HN 0.412 nan 8.280 nan 0.000 0.477 6 Y N 3.076 122.978 120.300 -0.663 0.000 2.409 6 Y HA 0.281 4.831 4.550 -0.001 0.000 0.343 6 Y C -0.296 175.239 175.900 -0.608 0.000 0.973 6 Y CA -1.060 56.672 58.100 -0.614 0.000 1.064 6 Y CB 1.727 39.578 38.460 -1.015 0.000 1.207 6 Y HN 0.489 nan 8.280 nan 0.000 0.452 7 K N 2.973 123.295 120.400 -0.132 0.000 2.389 7 K HA 0.408 4.727 4.320 -0.001 0.000 0.261 7 K C -2.072 174.680 176.600 0.254 0.000 1.014 7 K CA -0.307 55.991 56.287 0.019 0.000 0.920 7 K CB 0.540 33.104 32.500 0.107 0.000 1.149 7 K HN 0.504 nan 8.250 nan 0.000 0.444 8 W N 2.645 123.958 121.300 0.021 0.000 2.915 8 W HA 0.433 5.093 4.660 -0.001 0.000 0.337 8 W C -0.655 175.874 176.519 0.018 0.000 1.102 8 W CA -0.760 56.604 57.345 0.032 0.000 1.224 8 W CB 1.670 31.153 29.460 0.038 0.000 1.416 8 W HN 0.497 nan 8.180 nan 0.000 0.503 9 E N 1.477 121.784 120.200 0.178 0.000 2.248 9 E HA 0.577 4.926 4.350 -0.001 0.000 0.267 9 E C -1.288 175.307 176.600 -0.007 0.000 0.877 9 E CA -1.097 55.349 56.400 0.076 0.000 0.759 9 E CB 2.826 32.553 29.700 0.044 0.000 1.182 9 E HN 0.004 nan 8.360 nan 0.000 0.418 10 V N 1.880 121.776 119.914 -0.029 0.000 2.417 10 V HA 0.408 4.527 4.120 -0.001 0.000 0.291 10 V C -0.197 175.813 176.094 -0.141 0.000 1.024 10 V CA -0.534 61.704 62.300 -0.104 0.000 0.861 10 V CB 1.312 33.071 31.823 -0.108 0.000 0.985 10 V HN 0.729 nan 8.190 nan 0.000 0.436 11 E N 2.575 122.678 120.200 -0.162 0.000 2.331 11 E HA 0.500 4.849 4.350 -0.001 0.000 0.275 11 E C -1.752 174.755 176.600 -0.155 0.000 0.895 11 E CA -0.761 55.544 56.400 -0.159 0.000 0.753 11 E CB 1.998 31.652 29.700 -0.077 0.000 1.216 11 E HN 0.568 nan 8.360 nan 0.000 0.434 12 Y N 3.114 123.358 120.300 -0.093 0.000 2.411 12 Y HA 0.253 4.802 4.550 -0.001 0.000 0.333 12 Y C 0.512 176.345 175.900 -0.110 0.000 1.186 12 Y CA 0.299 58.339 58.100 -0.099 0.000 1.381 12 Y CB 0.735 39.134 38.460 -0.103 0.000 1.273 12 Y HN 0.409 nan 8.280 nan 0.000 0.546 13 M N 1.312 120.947 119.600 0.059 0.000 2.569 13 M HA 0.558 5.037 4.480 -0.001 0.000 0.279 13 M C -1.872 174.435 176.300 0.011 0.000 1.253 13 M CA -0.931 54.388 55.300 0.032 0.000 0.867 13 M CB 1.959 34.620 32.600 0.101 0.000 1.727 13 M HN 0.223 nan 8.290 nan 0.000 0.467 14 F N 2.188 122.231 119.950 0.155 0.000 2.456 14 F HA 0.530 5.056 4.527 -0.001 0.000 0.358 14 F C -0.297 175.633 175.800 0.217 0.000 1.095 14 F CA 0.572 58.653 58.000 0.134 0.000 1.216 14 F CB 0.701 39.745 39.000 0.074 0.000 1.125 14 F HN 0.488 nan 8.300 nan 0.000 0.549 15 W N 2.385 123.752 121.300 0.111 0.000 3.066 15 W HA 0.638 5.297 4.660 -0.001 0.000 0.330 15 W C -1.775 174.710 176.519 -0.056 0.000 1.253 15 W CA -1.328 56.014 57.345 -0.006 0.000 1.187 15 W CB 2.126 31.514 29.460 -0.119 0.000 1.434 15 W HN 0.415 nan 8.180 nan 0.000 0.572 16 A N 4.652 127.112 122.820 -0.599 0.000 2.842 16 A HA 0.477 4.796 4.320 -0.001 0.000 0.339 16 A C -2.074 175.349 177.584 -0.269 0.000 1.177 16 A CA -1.273 50.568 52.037 -0.326 0.000 0.797 16 A CB 1.000 19.829 19.000 -0.285 0.000 1.094 16 A HN 0.207 nan 8.150 nan 0.000 0.474 17 P HA -0.219 nan 4.420 nan 0.000 0.217 17 P C 0.725 177.986 177.300 -0.065 0.000 1.158 17 P CA 2.000 65.013 63.100 -0.145 0.000 0.887 17 P CB 0.031 31.306 31.700 -0.708 0.000 0.792 18 N N -2.876 115.794 118.700 -0.051 0.000 2.401 18 N HA 0.186 4.926 4.740 -0.001 0.000 0.264 18 N C -0.592 174.962 175.510 0.073 0.000 1.238 18 N CA -0.386 52.710 53.050 0.076 0.000 0.889 18 N CB -0.439 38.176 38.487 0.214 0.000 1.196 18 N HN -0.085 nan 8.380 nan 0.000 0.511 19 c N 0.514 119.104 118.600 -0.018 0.000 4.397 19 c HA -0.156 4.413 4.570 -0.001 0.000 0.291 19 c C -0.457 173.613 174.090 -0.033 0.000 1.408 19 c CA 0.160 56.462 56.329 -0.045 0.000 1.971 19 c CB -2.736 39.768 42.510 -0.010 0.000 1.258 19 c HN 0.681 nan 8.230 nan 0.000 0.795 20 N N 0.600 119.271 118.700 -0.047 0.000 2.448 20 N HA 0.258 4.998 4.740 -0.001 0.000 0.279 20 N C -0.523 174.937 175.510 -0.084 0.000 1.025 20 N CA -0.343 52.655 53.050 -0.087 0.000 0.898 20 N CB 1.463 39.828 38.487 -0.205 0.000 1.303 20 N HN 0.589 nan 8.380 nan 0.000 0.495 21 E N 1.903 122.064 120.200 -0.065 0.000 2.392 21 E HA 0.075 4.425 4.350 -0.001 0.000 0.264 21 E C -0.634 176.012 176.600 0.077 0.000 1.024 21 E CA 0.216 56.614 56.400 -0.003 0.000 0.903 21 E CB 0.630 30.321 29.700 -0.015 0.000 0.963 21 E HN 0.474 nan 8.360 nan 0.000 0.432 22 N N 2.069 120.884 118.700 0.190 0.000 3.364 22 N HA 0.295 5.034 4.740 -0.001 0.000 0.294 22 N C -1.471 174.181 175.510 0.236 0.000 1.562 22 N CA -0.534 52.652 53.050 0.227 0.000 0.862 22 N CB 0.879 39.544 38.487 0.296 0.000 1.691 22 N HN 0.489 nan 8.380 nan 0.000 0.572 23 I N -0.861 119.779 120.570 0.118 0.000 2.460 23 I HA 0.709 4.878 4.170 -0.001 0.000 0.298 23 I C -0.369 175.835 176.117 0.145 0.000 0.989 23 I CA -0.789 60.509 61.300 -0.003 0.000 1.173 23 I CB 1.781 39.623 38.000 -0.263 0.000 1.338 23 I HN 0.054 nan 8.210 nan 0.000 0.456 24 V N 6.018 125.985 119.914 0.088 0.000 2.823 24 V HA 0.429 4.549 4.120 -0.001 0.000 0.312 24 V C -0.358 175.758 176.094 0.037 0.000 1.072 24 V CA -0.872 61.414 62.300 -0.024 0.000 0.937 24 V CB 2.377 33.964 31.823 -0.393 0.000 1.013 24 V HN 0.830 nan 8.190 nan 0.000 0.430 25 M N 4.049 123.639 119.600 -0.017 0.000 2.094 25 M HA 0.571 5.050 4.480 -0.001 0.000 0.348 25 M C 0.179 176.399 176.300 -0.135 0.000 1.267 25 M CA -0.137 55.079 55.300 -0.139 0.000 1.125 25 M CB 0.360 32.834 32.600 -0.210 0.000 1.527 25 M HN 0.795 nan 8.290 nan 0.000 0.447 26 G N 5.163 113.881 108.800 -0.137 0.000 2.454 26 G HA2 0.723 4.683 3.960 -0.001 0.000 0.329 26 G HA3 0.723 4.683 3.960 -0.001 0.000 0.329 26 G C -1.064 173.727 174.900 -0.182 0.000 1.177 26 G CA -0.697 44.316 45.100 -0.144 0.000 0.951 26 G HN 0.734 nan 8.290 nan 0.000 0.485 27 I N 0.990 121.414 120.570 -0.243 0.000 2.378 27 I HA 0.196 4.366 4.170 -0.001 0.000 0.291 27 I C -0.277 175.679 176.117 -0.270 0.000 0.992 27 I CA -0.783 60.327 61.300 -0.317 0.000 1.154 27 I CB 1.828 39.470 38.000 -0.596 0.000 1.315 27 I HN 0.446 nan 8.210 nan 0.000 0.448 28 N N 4.883 123.483 118.700 -0.166 0.000 2.716 28 N HA -0.202 4.538 4.740 -0.001 0.000 0.250 28 N C 0.852 176.329 175.510 -0.054 0.000 1.033 28 N CA 1.382 54.391 53.050 -0.068 0.000 0.727 28 N CB -0.978 37.487 38.487 -0.036 0.000 0.950 28 N HN 1.132 nan 8.380 nan 0.000 0.541 29 G N -1.347 107.418 108.800 -0.058 0.000 2.155 29 G HA2 -0.334 3.626 3.960 -0.001 0.000 0.257 29 G HA3 -0.334 3.626 3.960 -0.001 0.000 0.257 29 G C -0.142 174.703 174.900 -0.091 0.000 0.983 29 G CA 0.885 45.965 45.100 -0.032 0.000 0.676 29 G HN 0.881 nan 8.290 nan 0.000 0.528 30 Q N -1.384 118.314 119.800 -0.170 0.000 2.451 30 Q HA 0.814 5.153 4.340 -0.001 0.000 0.281 30 Q C -1.445 174.357 176.000 -0.330 0.000 1.099 30 Q CA -1.343 54.293 55.803 -0.278 0.000 0.806 30 Q CB 2.351 30.963 28.738 -0.209 0.000 1.419 30 Q HN 0.610 nan 8.270 nan 0.000 0.427 31 F N 1.374 120.913 119.950 -0.685 0.000 2.539 31 F HA 0.568 5.094 4.527 -0.001 0.000 0.318 31 F C -2.684 172.796 175.800 -0.532 0.000 1.135 31 F CA -2.041 55.548 58.000 -0.685 0.000 0.915 31 F CB 1.661 40.081 39.000 -0.967 0.000 1.176 31 F HN 0.478 nan 8.300 nan 0.000 0.440 32 P HA 0.260 nan 4.420 nan 0.000 0.273 32 P C -0.142 176.850 177.300 -0.514 0.000 1.258 32 P CA -0.213 62.281 63.100 -1.009 0.000 0.802 32 P CB 0.328 31.623 31.700 -0.675 0.000 1.040 33 G N 0.098 108.662 108.800 -0.394 0.000 2.699 33 G HA2 0.270 4.229 3.960 -0.001 0.000 0.246 33 G HA3 0.270 4.229 3.960 -0.001 0.000 0.246 33 G C -2.417 172.403 174.900 -0.133 0.000 1.219 33 G CA -0.697 44.256 45.100 -0.246 0.000 0.866 33 G HN 0.326 nan 8.290 nan 0.000 0.572 34 P HA 0.184 nan 4.420 nan 0.000 0.271 34 P C 0.157 177.610 177.300 0.256 0.000 1.216 34 P CA 0.041 63.187 63.100 0.076 0.000 0.776 34 P CB 0.654 32.444 31.700 0.149 0.000 0.881 35 T N 3.644 118.323 114.554 0.208 0.000 2.901 35 T HA 0.261 4.610 4.350 -0.001 0.000 0.301 35 T C 0.631 175.476 174.700 0.242 0.000 1.012 35 T CA 0.023 62.263 62.100 0.233 0.000 1.135 35 T CB -0.060 68.895 68.868 0.145 0.000 0.936 35 T HN 0.206 nan 8.240 nan 0.000 0.539 36 I N 3.341 124.043 120.570 0.221 0.000 2.331 36 I HA 0.413 4.582 4.170 -0.001 0.000 0.292 36 I C 0.563 176.762 176.117 0.137 0.000 0.998 36 I CA -0.457 60.869 61.300 0.044 0.000 1.267 36 I CB 1.033 38.969 38.000 -0.108 0.000 1.386 36 I HN 0.370 nan 8.210 nan 0.000 0.476 37 R N 5.369 125.967 120.500 0.163 0.000 2.532 37 R HA 0.814 5.153 4.340 -0.001 0.000 0.297 37 R C -1.475 174.907 176.300 0.136 0.000 0.984 37 R CA -0.294 55.891 56.100 0.142 0.000 0.884 37 R CB 1.854 32.231 30.300 0.129 0.000 1.182 37 R HN 0.791 nan 8.270 nan 0.000 0.442 38 A N 3.403 126.289 122.820 0.110 0.000 2.567 38 A HA 0.557 4.877 4.320 -0.001 0.000 0.289 38 A C -1.506 176.120 177.584 0.070 0.000 1.177 38 A CA -1.032 51.054 52.037 0.082 0.000 0.694 38 A CB 1.635 20.673 19.000 0.062 0.000 1.292 38 A HN 0.796 nan 8.150 nan 0.000 0.425 39 N N -0.138 118.591 118.700 0.048 0.000 2.430 39 N HA 0.597 5.337 4.740 -0.001 0.000 0.298 39 N C -0.183 175.349 175.510 0.038 0.000 1.130 39 N CA -0.116 52.961 53.050 0.045 0.000 0.894 39 N CB 1.684 40.190 38.487 0.031 0.000 1.209 39 N HN 0.949 nan 8.380 nan 0.000 0.503 40 A N 0.340 123.187 122.820 0.044 0.000 2.540 40 A HA 0.440 4.759 4.320 -0.001 0.000 0.239 40 A C 1.434 179.026 177.584 0.014 0.000 1.061 40 A CA 0.734 52.791 52.037 0.034 0.000 0.758 40 A CB -0.988 18.038 19.000 0.044 0.000 0.991 40 A HN 1.018 nan 8.150 nan 0.000 0.502 41 G N 2.129 110.930 108.800 0.001 0.000 2.217 41 G HA2 -0.197 3.763 3.960 -0.001 0.000 0.246 41 G HA3 -0.197 3.763 3.960 -0.001 0.000 0.246 41 G C 0.049 174.937 174.900 -0.020 0.000 0.990 41 G CA 0.368 45.463 45.100 -0.009 0.000 0.627 41 G HN 0.811 nan 8.290 nan 0.000 0.522 42 D N 0.621 121.007 120.400 -0.023 0.000 2.369 42 D HA 0.562 5.201 4.640 -0.001 0.000 0.241 42 D C 0.493 176.748 176.300 -0.076 0.000 1.271 42 D CA 0.581 54.557 54.000 -0.041 0.000 0.942 42 D CB 0.783 41.563 40.800 -0.033 0.000 1.129 42 D HN 0.177 nan 8.370 nan 0.000 0.476 43 S N -0.282 115.356 115.700 -0.103 0.000 2.519 43 S HA 0.454 4.923 4.470 -0.001 0.000 0.309 43 S C -0.482 173.971 174.600 -0.244 0.000 1.100 43 S CA -0.815 57.288 58.200 -0.162 0.000 1.059 43 S CB 1.579 64.714 63.200 -0.109 0.000 1.008 43 S HN 0.138 nan 8.310 nan 0.000 0.478 44 V N 3.845 123.474 119.914 -0.475 0.000 2.394 44 V HA 0.468 4.587 4.120 -0.001 0.000 0.282 44 V C -0.396 175.330 176.094 -0.614 0.000 1.031 44 V CA -0.472 61.470 62.300 -0.597 0.000 0.881 44 V CB 1.543 32.754 31.823 -1.020 0.000 0.982 44 V HN 0.692 nan 8.190 nan 0.000 0.451 45 V N 5.905 125.618 119.914 -0.336 0.000 2.444 45 V HA 0.512 4.631 4.120 -0.001 0.000 0.294 45 V C -0.408 175.509 176.094 -0.296 0.000 1.022 45 V CA -0.528 61.653 62.300 -0.198 0.000 0.850 45 V CB 2.006 33.848 31.823 0.032 0.000 0.992 45 V HN 0.574 nan 8.190 nan 0.000 0.426 46 V N 5.200 124.972 119.914 -0.236 0.000 2.483 46 V HA 0.437 4.557 4.120 -0.001 0.000 0.297 46 V C -0.193 175.784 176.094 -0.196 0.000 1.027 46 V CA -0.645 61.468 62.300 -0.311 0.000 0.855 46 V CB 2.010 33.642 31.823 -0.320 0.000 0.995 46 V HN 1.035 nan 8.190 nan 0.000 0.424 47 E N 5.253 125.212 120.200 -0.402 0.000 2.073 47 E HA 0.585 4.934 4.350 -0.001 0.000 0.269 47 E C -1.024 175.460 176.600 -0.194 0.000 0.917 47 E CA -0.765 55.278 56.400 -0.594 0.000 0.757 47 E CB 2.008 31.102 29.700 -1.010 0.000 1.111 47 E HN 0.434 nan 8.360 nan 0.000 0.410 48 L N 3.327 124.543 121.223 -0.011 0.000 2.275 48 L HA 0.351 4.690 4.340 -0.001 0.000 0.288 48 L C -0.756 176.175 176.870 0.101 0.000 1.046 48 L CA 0.126 55.078 54.840 0.185 0.000 0.805 48 L CB 1.745 44.042 42.059 0.397 0.000 1.193 48 L HN 0.583 nan 8.230 nan 0.000 0.426 49 T N 4.266 118.879 114.554 0.099 0.000 2.772 49 T HA 0.240 4.589 4.350 -0.001 0.000 0.288 49 T C -0.119 174.617 174.700 0.060 0.000 0.994 49 T CA -0.317 61.822 62.100 0.066 0.000 0.951 49 T CB 0.260 69.158 68.868 0.050 0.000 0.933 49 T HN 0.632 nan 8.240 nan 0.000 0.447 50 N N 2.967 121.697 118.700 0.049 0.000 2.406 50 N HA 0.046 4.785 4.740 -0.001 0.000 0.265 50 N C 0.835 176.334 175.510 -0.018 0.000 1.203 50 N CA -0.207 52.851 53.050 0.014 0.000 0.945 50 N CB 0.233 38.731 38.487 0.018 0.000 1.165 50 N HN 0.228 nan 8.380 nan 0.000 0.485 51 K N 3.534 123.901 120.400 -0.056 0.000 2.493 51 K HA 0.193 4.512 4.320 -0.001 0.000 0.207 51 K C -0.228 176.247 176.600 -0.208 0.000 1.033 51 K CA -0.154 56.079 56.287 -0.089 0.000 1.161 51 K CB 0.113 32.576 32.500 -0.062 0.000 0.873 51 K HN 0.576 nan 8.250 nan 0.000 0.491 52 L N -0.034 121.075 121.223 -0.190 0.000 2.439 52 L HA 0.191 4.530 4.340 -0.001 0.000 0.261 52 L C 1.495 178.242 176.870 -0.206 0.000 1.153 52 L CA -0.375 54.325 54.840 -0.233 0.000 0.808 52 L CB 0.525 42.506 42.059 -0.129 0.000 1.126 52 L HN 0.216 nan 8.230 nan 0.000 0.460 53 H N -0.565 118.552 119.070 0.077 0.000 2.355 53 H HA -0.050 4.505 4.556 -0.001 0.000 0.303 53 H C 1.406 176.759 175.328 0.042 0.000 1.061 53 H CA 1.567 57.648 56.048 0.053 0.000 1.368 53 H CB 0.303 30.094 29.762 0.048 0.000 1.412 53 H HN 0.771 nan 8.280 nan 0.000 0.523 54 T N -2.371 112.281 114.554 0.162 0.000 3.043 54 T HA 0.242 4.591 4.350 -0.001 0.000 0.272 54 T C 0.402 175.145 174.700 0.071 0.000 0.990 54 T CA -0.297 61.859 62.100 0.094 0.000 0.897 54 T CB 0.649 69.559 68.868 0.070 0.000 1.111 54 T HN 0.120 nan 8.240 nan 0.000 0.529 55 E N 0.746 120.994 120.200 0.079 0.000 2.212 55 E HA 0.604 4.953 4.350 -0.001 0.000 0.270 55 E C 0.016 176.639 176.600 0.038 0.000 0.956 55 E CA -1.112 55.331 56.400 0.071 0.000 0.825 55 E CB 1.704 31.474 29.700 0.116 0.000 1.167 55 E HN 0.389 nan 8.360 nan 0.000 0.400 56 G N 0.385 109.205 108.800 0.033 0.000 2.504 56 G HA2 0.462 4.421 3.960 -0.001 0.000 0.288 56 G HA3 0.462 4.421 3.960 -0.001 0.000 0.288 56 G C -0.987 173.919 174.900 0.010 0.000 1.182 56 G CA -0.248 44.862 45.100 0.016 0.000 0.894 56 G HN 0.296 nan 8.290 nan 0.000 0.521 57 V N -0.007 119.909 119.914 0.003 0.000 3.114 57 V HA 0.755 4.875 4.120 -0.001 0.000 0.308 57 V C -0.634 175.477 176.094 0.027 0.000 1.168 57 V CA -0.352 61.953 62.300 0.008 0.000 1.015 57 V CB 2.422 34.240 31.823 -0.008 0.000 1.050 57 V HN 1.195 nan 8.190 nan 0.000 0.433 58 V N 2.997 122.942 119.914 0.051 0.000 3.114 58 V HA 0.727 4.846 4.120 -0.001 0.000 0.308 58 V C -1.386 174.734 176.094 0.043 0.000 1.168 58 V CA -0.760 61.597 62.300 0.096 0.000 1.015 58 V CB 2.277 34.151 31.823 0.085 0.000 1.050 58 V HN 0.647 nan 8.190 nan 0.000 0.433 59 I N 2.410 122.925 120.570 -0.092 0.000 2.498 59 I HA 0.552 4.722 4.170 -0.001 0.000 0.290 59 I C -0.929 174.705 176.117 -0.805 0.000 1.032 59 I CA -0.189 60.830 61.300 -0.468 0.000 1.073 59 I CB 1.692 39.225 38.000 -0.778 0.000 1.251 59 I HN 1.058 nan 8.210 nan 0.000 0.426 60 H N 5.069 123.671 119.070 -0.781 0.000 2.492 60 H HA 0.475 5.030 4.556 -0.001 0.000 0.345 60 H C -1.664 173.091 175.328 -0.955 0.000 1.136 60 H CA -0.477 55.124 56.048 -0.745 0.000 1.202 60 H CB 1.221 30.820 29.762 -0.272 0.000 1.524 60 H HN 0.424 nan 8.280 nan 0.000 0.506 61 W N 4.877 125.569 121.300 -1.013 0.000 2.289 61 W HA 0.208 4.867 4.660 -0.001 0.000 0.342 61 W C -0.255 175.683 176.519 -0.968 0.000 0.958 61 W CA -0.891 55.996 57.345 -0.763 0.000 1.492 61 W CB -0.081 28.895 29.460 -0.806 0.000 1.336 61 W HN 0.660 nan 8.180 nan 0.000 0.371 62 H N 1.802 120.409 119.070 -0.772 0.000 2.899 62 H HA 0.391 4.947 4.556 -0.001 0.000 0.303 62 H C 1.369 176.415 175.328 -0.469 0.000 1.042 62 H CA 1.587 57.258 56.048 -0.629 0.000 1.479 62 H CB 0.499 29.763 29.762 -0.830 0.000 1.493 62 H HN 0.776 nan 8.280 nan 0.000 0.534 63 G N 4.730 113.350 108.800 -0.299 0.000 2.232 63 G HA2 -0.236 3.723 3.960 -0.001 0.000 0.226 63 G HA3 -0.236 3.723 3.960 -0.001 0.000 0.226 63 G C -0.037 174.531 174.900 -0.554 0.000 0.996 63 G CA 0.014 44.977 45.100 -0.229 0.000 0.626 63 G HN 0.538 nan 8.290 nan 0.000 0.509 64 I N 1.865 122.075 120.570 -0.600 0.000 2.474 64 I HA 0.327 4.496 4.170 -0.001 0.000 0.287 64 I C 1.942 177.772 176.117 -0.478 0.000 1.048 64 I CA -0.365 60.567 61.300 -0.614 0.000 1.383 64 I CB 1.124 38.766 38.000 -0.598 0.000 1.412 64 I HN 0.063 nan 8.210 nan 0.000 0.531 65 L N 4.728 125.690 121.223 -0.435 0.000 2.313 65 L HA -0.051 4.288 4.340 -0.001 0.000 0.214 65 L C 0.786 177.412 176.870 -0.407 0.000 1.119 65 L CA 0.323 54.897 54.840 -0.442 0.000 0.809 65 L CB -0.304 41.527 42.059 -0.379 0.000 0.933 65 L HN 0.578 nan 8.230 nan 0.000 0.449 66 Q N 0.108 119.740 119.800 -0.279 0.000 2.475 66 Q HA -0.229 4.110 4.340 -0.001 0.000 0.280 66 Q C 0.084 176.052 176.000 -0.053 0.000 1.234 66 Q CA 0.584 56.304 55.803 -0.137 0.000 0.873 66 Q CB -1.589 27.194 28.738 0.074 0.000 1.256 66 Q HN 0.331 nan 8.270 nan 0.000 0.475 67 R N 0.302 120.734 120.500 -0.115 0.000 2.402 67 R HA 0.294 4.633 4.340 -0.001 0.000 0.331 67 R C 1.491 177.776 176.300 -0.025 0.000 1.040 67 R CA 1.626 57.684 56.100 -0.070 0.000 0.980 67 R CB -0.354 29.887 30.300 -0.099 0.000 0.967 67 R HN 0.493 nan 8.270 nan 0.000 0.440 68 G N 2.057 110.868 108.800 0.018 0.000 2.284 68 G HA2 -0.299 3.660 3.960 -0.001 0.000 0.230 68 G HA3 -0.299 3.660 3.960 -0.001 0.000 0.230 68 G C 0.293 175.189 174.900 -0.007 0.000 1.021 68 G CA 0.324 45.443 45.100 0.031 0.000 0.619 68 G HN 0.671 nan 8.290 nan 0.000 0.510 69 T N -0.853 113.607 114.554 -0.156 0.000 3.438 69 T HA 0.626 4.975 4.350 -0.001 0.000 0.244 69 T C -1.016 173.296 174.700 -0.646 0.000 1.269 69 T CA -0.445 61.286 62.100 -0.614 0.000 1.371 69 T CB 1.826 70.286 68.868 -0.681 0.000 1.002 69 T HN 0.233 nan 8.240 nan 0.000 0.637 70 P HA -0.094 nan 4.420 nan 0.000 0.220 70 P C 1.626 178.872 177.300 -0.091 0.000 1.148 70 P CA 0.796 63.814 63.100 -0.136 0.000 0.803 70 P CB -0.242 31.326 31.700 -0.220 0.000 0.782 71 W N -0.317 121.055 121.300 0.119 0.000 2.721 71 W HA 0.311 4.970 4.660 -0.001 0.000 0.245 71 W C 0.702 177.421 176.519 0.334 0.000 1.276 71 W CA 0.458 57.913 57.345 0.183 0.000 1.342 71 W CB -1.202 28.358 29.460 0.168 0.000 1.135 71 W HN -0.037 nan 8.180 nan 0.000 0.654 72 A N 0.552 123.446 122.820 0.124 0.000 2.503 72 A HA 0.086 4.405 4.320 -0.001 0.000 0.263 72 A C 1.303 179.174 177.584 0.478 0.000 1.258 72 A CA 0.412 52.732 52.037 0.472 0.000 0.936 72 A CB -0.482 18.580 19.000 0.104 0.000 1.070 72 A HN 0.100 nan 8.150 nan 0.000 0.522 73 D N 0.465 121.068 120.400 0.338 0.000 2.178 73 D HA 0.048 4.687 4.640 -0.001 0.000 0.201 73 D C 1.394 177.927 176.300 0.387 0.000 0.980 73 D CA 1.923 56.149 54.000 0.377 0.000 0.842 73 D CB -0.091 40.962 40.800 0.422 0.000 0.948 73 D HN 0.693 nan 8.370 nan 0.000 0.472 74 G N 0.171 109.190 108.800 0.364 0.000 2.248 74 G HA2 -0.199 3.760 3.960 -0.001 0.000 0.252 74 G HA3 -0.199 3.760 3.960 -0.001 0.000 0.252 74 G C 0.050 175.018 174.900 0.113 0.000 1.085 74 G CA 0.489 45.740 45.100 0.251 0.000 0.845 74 G HN 0.590 nan 8.290 nan 0.000 0.494 75 T N -1.987 112.598 114.554 0.051 0.000 2.833 75 T HA 0.809 5.159 4.350 -0.001 0.000 0.297 75 T C 0.404 175.101 174.700 -0.006 0.000 1.015 75 T CA 0.307 62.349 62.100 -0.097 0.000 0.963 75 T CB 1.927 70.635 68.868 -0.267 0.000 0.955 75 T HN 1.762 nan 8.240 nan 0.000 0.449 76 A N 2.722 125.557 122.820 0.025 0.000 2.498 76 A HA 0.537 4.856 4.320 -0.001 0.000 0.239 76 A C 1.330 178.913 177.584 -0.002 0.000 1.068 76 A CA 0.107 52.152 52.037 0.014 0.000 0.766 76 A CB -0.681 18.332 19.000 0.022 0.000 1.003 76 A HN 1.684 nan 8.150 nan 0.000 0.497 77 S N 0.060 115.748 115.700 -0.021 0.000 3.127 77 S HA -0.198 4.272 4.470 -0.001 0.000 0.281 77 S C 0.845 175.419 174.600 -0.043 0.000 1.293 77 S CA 1.661 59.821 58.200 -0.067 0.000 1.156 77 S CB -1.884 61.264 63.200 -0.086 0.000 1.389 77 S HN 0.716 nan 8.310 nan 0.000 0.672 78 I N -0.221 120.368 120.570 0.031 0.000 3.669 78 I HA 0.035 4.204 4.170 -0.001 0.000 0.255 78 I C 1.942 178.086 176.117 0.045 0.000 1.144 78 I CA 0.854 62.222 61.300 0.112 0.000 1.447 78 I CB -0.111 37.919 38.000 0.050 0.000 1.622 78 I HN 0.322 nan 8.210 nan 0.000 0.435 79 S N 0.210 115.928 115.700 0.029 0.000 2.456 79 S HA 0.126 4.595 4.470 -0.001 0.000 0.224 79 S C 0.576 175.250 174.600 0.124 0.000 1.035 79 S CA -0.260 57.976 58.200 0.060 0.000 0.940 79 S CB -0.084 63.174 63.200 0.096 0.000 0.799 79 S HN 0.555 nan 8.310 nan 0.000 0.508 80 Q N -0.894 118.960 119.800 0.089 0.000 2.511 80 Q HA 0.612 4.951 4.340 -0.001 0.000 0.289 80 Q C -1.424 174.582 176.000 0.009 0.000 1.021 80 Q CA -1.135 54.710 55.803 0.070 0.000 0.785 80 Q CB 0.858 29.621 28.738 0.042 0.000 1.472 80 Q HN 0.149 nan 8.270 nan 0.000 0.411 81 c N 1.486 120.086 118.600 0.000 0.000 2.652 81 c HA 0.675 5.244 4.570 -0.001 0.000 0.412 81 c C 0.979 175.029 174.090 -0.067 0.000 1.294 81 c CA 0.029 56.346 56.329 -0.021 0.000 2.127 81 c CB -0.054 42.453 42.510 -0.005 0.000 2.691 81 c HN 0.802 nan 8.230 nan 0.000 0.615 82 A N 2.907 125.696 122.820 -0.051 0.000 2.386 82 A HA 0.538 4.858 4.320 -0.001 0.000 0.248 82 A C -0.070 177.468 177.584 -0.076 0.000 1.082 82 A CA -0.312 51.687 52.037 -0.064 0.000 0.789 82 A CB 0.061 19.048 19.000 -0.020 0.000 1.025 82 A HN 0.790 nan 8.150 nan 0.000 0.490 83 I N 2.496 123.010 120.570 -0.094 0.000 2.452 83 I HA 0.029 4.199 4.170 -0.001 0.000 0.287 83 I C 0.148 176.263 176.117 -0.003 0.000 1.079 83 I CA -0.322 60.946 61.300 -0.053 0.000 1.387 83 I CB 0.164 38.142 38.000 -0.036 0.000 1.404 83 I HN 0.534 nan 8.210 nan 0.000 0.522 84 N N 7.969 126.678 118.700 0.015 0.000 2.482 84 N HA 0.192 4.932 4.740 -0.001 0.000 0.260 84 N C -2.370 173.157 175.510 0.027 0.000 1.236 84 N CA -1.490 51.574 53.050 0.023 0.000 0.938 84 N CB 0.077 38.581 38.487 0.028 0.000 1.128 84 N HN 0.242 nan 8.380 nan 0.000 0.448 85 P HA -0.064 nan 4.420 nan 0.000 0.261 85 P C 0.838 178.157 177.300 0.032 0.000 1.165 85 P CA 1.128 64.243 63.100 0.024 0.000 0.759 85 P CB 0.180 31.903 31.700 0.037 0.000 0.772 86 G N 1.737 110.553 108.800 0.027 0.000 2.212 86 G HA2 -0.278 3.681 3.960 -0.001 0.000 0.266 86 G HA3 -0.278 3.681 3.960 -0.001 0.000 0.266 86 G C 0.125 175.051 174.900 0.044 0.000 0.978 86 G CA 0.014 45.136 45.100 0.036 0.000 0.632 86 G HN 0.566 nan 8.290 nan 0.000 0.537 87 E N 0.286 120.516 120.200 0.050 0.000 2.283 87 E HA 0.568 4.917 4.350 -0.001 0.000 0.267 87 E C -0.382 176.264 176.600 0.077 0.000 1.045 87 E CA -0.148 56.292 56.400 0.067 0.000 0.884 87 E CB 1.004 30.750 29.700 0.076 0.000 1.106 87 E HN 0.129 nan 8.360 nan 0.000 0.408 88 T N 1.741 116.346 114.554 0.085 0.000 2.807 88 T HA 0.437 4.786 4.350 -0.001 0.000 0.279 88 T C -1.225 173.541 174.700 0.110 0.000 0.993 88 T CA -0.512 61.622 62.100 0.055 0.000 0.970 88 T CB 0.427 69.290 68.868 -0.008 0.000 0.950 88 T HN 0.276 nan 8.240 nan 0.000 0.441 89 F N 2.558 122.446 119.950 -0.104 0.000 2.563 89 F HA 0.743 5.269 4.527 -0.001 0.000 0.316 89 F C -1.777 173.896 175.800 -0.212 0.000 1.076 89 F CA -1.580 56.365 58.000 -0.092 0.000 0.921 89 F CB 1.213 40.133 39.000 -0.133 0.000 1.209 89 F HN 0.461 nan 8.300 nan 0.000 0.462 90 F N 4.408 124.009 119.950 -0.582 0.000 2.427 90 F HA 0.417 4.944 4.527 -0.001 0.000 0.346 90 F C -1.178 174.453 175.800 -0.280 0.000 1.120 90 F CA -0.608 57.213 58.000 -0.298 0.000 1.033 90 F CB 1.091 39.953 39.000 -0.231 0.000 1.126 90 F HN 0.263 nan 8.300 nan 0.000 0.462 91 Y N 2.926 123.404 120.300 0.297 0.000 2.356 91 Y HA 0.413 4.962 4.550 -0.001 0.000 0.334 91 Y C -0.426 175.572 175.900 0.164 0.000 0.958 91 Y CA -0.959 57.385 58.100 0.406 0.000 1.196 91 Y CB 0.854 39.618 38.460 0.506 0.000 1.137 91 Y HN 0.419 nan 8.280 nan 0.000 0.485 92 N N 5.347 124.267 118.700 0.367 0.000 2.399 92 N HA 0.530 5.269 4.740 -0.001 0.000 0.284 92 N C -1.226 174.327 175.510 0.071 0.000 1.025 92 N CA -0.591 52.511 53.050 0.087 0.000 0.885 92 N CB 1.777 40.380 38.487 0.193 0.000 1.339 92 N HN 0.500 nan 8.380 nan 0.000 0.487 93 F N -1.923 117.931 119.950 -0.160 0.000 2.711 93 F HA 0.675 5.201 4.527 -0.001 0.000 0.313 93 F C -0.626 175.068 175.800 -0.177 0.000 1.141 93 F CA -0.985 56.886 58.000 -0.215 0.000 0.941 93 F CB 1.058 39.871 39.000 -0.312 0.000 1.349 93 F HN -0.015 nan 8.300 nan 0.000 0.464 94 T N 1.985 116.586 114.554 0.078 0.000 2.794 94 T HA 0.558 4.907 4.350 -0.001 0.000 0.280 94 T C -0.563 174.169 174.700 0.054 0.000 0.987 94 T CA -0.695 61.406 62.100 0.000 0.000 0.993 94 T CB 1.384 70.243 68.868 -0.014 0.000 0.939 94 T HN 0.801 nan 8.240 nan 0.000 0.449 95 V N 1.261 121.181 119.914 0.011 0.000 2.368 95 V HA 0.368 4.487 4.120 -0.001 0.000 0.266 95 V C 0.372 176.445 176.094 -0.035 0.000 1.045 95 V CA -0.439 61.856 62.300 -0.007 0.000 0.899 95 V CB 0.803 32.636 31.823 0.017 0.000 1.006 95 V HN 0.712 nan 8.190 nan 0.000 0.470 96 D N 3.308 123.662 120.400 -0.077 0.000 2.162 96 D HA -0.010 4.629 4.640 -0.001 0.000 0.203 96 D C 0.613 176.900 176.300 -0.022 0.000 0.967 96 D CA 1.406 55.373 54.000 -0.056 0.000 0.840 96 D CB 0.273 41.021 40.800 -0.086 0.000 0.972 96 D HN 0.872 nan 8.370 nan 0.000 0.482 97 N N 0.414 119.111 118.700 -0.005 0.000 2.277 97 N HA 0.241 4.980 4.740 -0.001 0.000 0.286 97 N C -3.118 172.478 175.510 0.145 0.000 1.140 97 N CA -1.428 51.653 53.050 0.052 0.000 0.799 97 N CB 2.423 40.928 38.487 0.029 0.000 1.596 97 N HN -0.228 nan 8.380 nan 0.000 0.473 98 P HA 0.286 nan 4.420 nan 0.000 0.269 98 P C 0.304 177.626 177.300 0.037 0.000 1.217 98 P CA 0.688 63.852 63.100 0.106 0.000 0.783 98 P CB 0.554 32.302 31.700 0.079 0.000 0.898 99 G N 0.039 108.784 108.800 -0.092 0.000 2.359 99 G HA2 0.220 4.179 3.960 -0.001 0.000 0.293 99 G HA3 0.220 4.179 3.960 -0.001 0.000 0.293 99 G C -1.561 172.916 174.900 -0.705 0.000 1.300 99 G CA -0.676 44.140 45.100 -0.474 0.000 0.888 99 G HN 0.468 nan 8.290 nan 0.000 0.541 100 T N 1.306 115.341 114.554 -0.864 0.000 2.753 100 T HA 0.692 5.042 4.350 -0.001 0.000 0.297 100 T C -0.851 173.346 174.700 -0.839 0.000 0.981 100 T CA 0.141 61.878 62.100 -0.605 0.000 0.956 100 T CB 0.232 68.900 68.868 -0.333 0.000 0.936 100 T HN 0.400 nan 8.240 nan 0.000 0.463 101 F N 2.268 122.247 119.950 0.050 0.000 2.679 101 F HA 0.849 5.375 4.527 -0.001 0.000 0.341 101 F C -0.340 175.561 175.800 0.169 0.000 1.095 101 F CA -1.709 56.313 58.000 0.038 0.000 1.004 101 F CB 1.319 40.304 39.000 -0.025 0.000 1.388 101 F HN 0.559 nan 8.300 nan 0.000 0.505 102 F N -0.922 119.146 119.950 0.197 0.000 2.745 102 F HA 0.755 5.282 4.527 -0.001 0.000 0.316 102 F C -1.716 174.160 175.800 0.127 0.000 1.155 102 F CA -2.024 56.010 58.000 0.056 0.000 0.937 102 F CB 1.160 40.088 39.000 -0.120 0.000 1.361 102 F HN 0.448 nan 8.300 nan 0.000 0.472 103 Y N -0.503 119.942 120.300 0.242 0.000 2.576 103 Y HA 0.897 5.447 4.550 -0.001 0.000 0.346 103 Y C -1.115 174.851 175.900 0.109 0.000 1.018 103 Y CA -1.316 56.755 58.100 -0.048 0.000 1.050 103 Y CB 1.517 39.916 38.460 -0.101 0.000 1.280 103 Y HN 1.002 nan 8.280 nan 0.000 0.474 104 H N -0.835 118.344 119.070 0.182 0.000 3.042 104 H HA 0.642 5.197 4.556 -0.001 0.000 0.346 104 H C -0.394 175.011 175.328 0.128 0.000 1.294 104 H CA -1.227 54.940 56.048 0.200 0.000 1.141 104 H CB 0.881 30.810 29.762 0.279 0.000 1.872 104 H HN 1.101 nan 8.280 nan 0.000 0.541 105 G N 0.046 109.033 108.800 0.312 0.000 2.484 105 G HA2 0.258 4.217 3.960 -0.001 0.000 0.235 105 G HA3 0.258 4.217 3.960 -0.001 0.000 0.235 105 G C -0.296 174.768 174.900 0.273 0.000 1.282 105 G CA -0.077 45.141 45.100 0.195 0.000 0.857 105 G HN 0.876 nan 8.290 nan 0.000 0.571 106 H N 1.443 120.586 119.070 0.122 0.000 2.907 106 H HA 0.232 4.788 4.556 -0.001 0.000 0.233 106 H C -1.116 174.227 175.328 0.025 0.000 1.285 106 H CA -0.404 55.702 56.048 0.096 0.000 0.981 106 H CB 0.580 30.410 29.762 0.114 0.000 2.255 106 H HN 0.322 nan 8.280 nan 0.000 0.601 107 L N 0.169 121.455 121.223 0.106 0.000 2.381 107 L HA 0.585 4.924 4.340 -0.001 0.000 0.274 107 L C 0.804 177.689 176.870 0.025 0.000 0.988 107 L CA 0.831 55.710 54.840 0.066 0.000 0.824 107 L CB 1.405 43.495 42.059 0.053 0.000 1.263 107 L HN 0.439 nan 8.230 nan 0.000 0.410 108 G N 4.724 113.537 108.800 0.022 0.000 2.596 108 G HA2 -0.324 3.635 3.960 -0.001 0.000 0.295 108 G HA3 -0.324 3.635 3.960 -0.001 0.000 0.295 108 G C 0.393 175.272 174.900 -0.036 0.000 1.240 108 G CA 0.531 45.644 45.100 0.022 0.000 0.985 108 G HN 0.677 nan 8.290 nan 0.000 0.555 109 M N 1.004 120.551 119.600 -0.089 0.000 2.869 109 M HA 0.206 4.685 4.480 -0.001 0.000 0.338 109 M C 1.822 178.041 176.300 -0.135 0.000 1.227 109 M CA 0.003 55.209 55.300 -0.157 0.000 0.946 109 M CB 0.810 33.255 32.600 -0.258 0.000 1.299 109 M HN 0.608 nan 8.290 nan 0.000 0.518 110 Q N 0.706 120.461 119.800 -0.075 0.000 2.224 110 Q HA -0.155 4.184 4.340 -0.001 0.000 0.203 110 Q C 2.033 178.037 176.000 0.007 0.000 0.970 110 Q CA 1.211 56.992 55.803 -0.038 0.000 0.865 110 Q CB -0.065 28.665 28.738 -0.014 0.000 0.922 110 Q HN 0.632 nan 8.270 nan 0.000 0.445 111 R N -0.108 120.406 120.500 0.024 0.000 2.092 111 R HA -0.016 4.323 4.340 -0.001 0.000 0.231 111 R C 1.925 178.350 176.300 0.207 0.000 1.119 111 R CA 1.596 57.776 56.100 0.132 0.000 0.970 111 R CB -0.394 29.960 30.300 0.090 0.000 0.864 111 R HN -0.069 nan 8.270 nan 0.000 0.440 112 S N 1.100 116.851 115.700 0.086 0.000 2.469 112 S HA -0.000 4.469 4.470 -0.001 0.000 0.238 112 S C 1.823 176.554 174.600 0.218 0.000 0.998 112 S CA 0.934 59.219 58.200 0.142 0.000 0.957 112 S CB 0.079 63.233 63.200 -0.076 0.000 0.764 112 S HN 0.578 nan 8.310 nan 0.000 0.514 113 A N 0.409 123.311 122.820 0.137 0.000 2.238 113 A HA 0.520 4.839 4.320 -0.001 0.000 0.208 113 A C 1.623 179.328 177.584 0.202 0.000 1.177 113 A CA 0.699 52.833 52.037 0.162 0.000 0.804 113 A CB -0.548 18.512 19.000 0.101 0.000 0.823 113 A HN 0.772 nan 8.150 nan 0.000 0.482 114 G N -1.841 107.078 108.800 0.198 0.000 2.192 114 G HA2 -0.128 3.832 3.960 -0.001 0.000 0.193 114 G HA3 -0.128 3.832 3.960 -0.001 0.000 0.193 114 G C 0.042 174.713 174.900 -0.382 0.000 0.999 114 G CA 0.016 45.113 45.100 -0.005 0.000 0.659 114 G HN 0.810 nan 8.290 nan 0.000 0.503 115 L N 2.690 123.809 121.223 -0.173 0.000 2.401 115 L HA 0.676 5.015 4.340 -0.001 0.000 0.283 115 L C -0.135 176.716 176.870 -0.032 0.000 1.151 115 L CA -1.186 53.570 54.840 -0.141 0.000 0.942 115 L CB -1.239 40.798 42.059 -0.036 0.000 1.283 115 L HN 0.464 nan 8.230 nan 0.000 0.442 116 Y N 1.541 121.821 120.300 -0.033 0.000 2.702 116 Y HA 0.901 5.450 4.550 -0.001 0.000 0.336 116 Y C -0.168 175.413 175.900 -0.532 0.000 1.203 116 Y CA -1.043 56.931 58.100 -0.209 0.000 1.072 116 Y CB 0.643 39.039 38.460 -0.107 0.000 1.327 116 Y HN 0.447 nan 8.280 nan 0.000 0.456 117 G N -0.118 108.225 108.800 -0.761 0.000 2.441 117 G HA2 0.514 4.473 3.960 -0.001 0.000 0.294 117 G HA3 0.514 4.473 3.960 -0.001 0.000 0.294 117 G C -1.856 172.726 174.900 -0.530 0.000 1.393 117 G CA -0.978 43.723 45.100 -0.665 0.000 0.796 117 G HN 0.704 nan 8.290 nan 0.000 0.494 118 S N -0.814 114.813 115.700 -0.123 0.000 2.585 118 S HA 0.668 5.137 4.470 -0.001 0.000 0.277 118 S C -0.394 174.369 174.600 0.271 0.000 1.241 118 S CA -0.430 57.809 58.200 0.065 0.000 1.041 118 S CB 1.396 64.615 63.200 0.032 0.000 0.987 118 S HN 0.627 nan 8.310 nan 0.000 0.512 119 L N 3.603 125.008 121.223 0.303 0.000 2.415 119 L HA 0.568 4.907 4.340 -0.001 0.000 0.268 119 L C -1.653 175.383 176.870 0.276 0.000 0.984 119 L CA -0.352 54.698 54.840 0.350 0.000 0.853 119 L CB 0.440 42.775 42.059 0.460 0.000 1.215 119 L HN 0.622 nan 8.230 nan 0.000 0.419 120 I N 4.940 125.626 120.570 0.193 0.000 2.378 120 I HA 0.380 4.549 4.170 -0.001 0.000 0.291 120 I C -0.534 175.678 176.117 0.159 0.000 0.992 120 I CA -0.833 60.545 61.300 0.131 0.000 1.154 120 I CB 2.055 40.096 38.000 0.068 0.000 1.315 120 I HN 0.189 nan 8.210 nan 0.000 0.448 121 V N 5.388 125.412 119.914 0.184 0.000 2.347 121 V HA 0.297 4.417 4.120 -0.001 0.000 0.280 121 V C -0.129 176.035 176.094 0.116 0.000 1.021 121 V CA -0.739 61.669 62.300 0.179 0.000 0.847 121 V CB 1.367 33.359 31.823 0.282 0.000 0.990 121 V HN 0.593 nan 8.190 nan 0.000 0.444 122 D N 5.940 126.396 120.400 0.094 0.000 2.354 122 D HA 0.338 4.977 4.640 -0.001 0.000 0.247 122 D C -2.255 174.088 176.300 0.071 0.000 1.138 122 D CA -1.218 52.829 54.000 0.079 0.000 0.958 122 D CB 1.260 42.103 40.800 0.071 0.000 1.144 122 D HN 0.279 nan 8.370 nan 0.000 0.458 123 P HA 0.008 nan 4.420 nan 0.000 0.269 123 P C -2.525 174.797 177.300 0.036 0.000 1.205 123 P CA -0.654 62.476 63.100 0.050 0.000 0.780 123 P CB -0.750 30.969 31.700 0.031 0.000 0.858 124 P HA -0.058 nan 4.420 nan 0.000 0.264 124 P C -0.344 176.963 177.300 0.012 0.000 1.173 124 P CA 0.693 63.804 63.100 0.019 0.000 0.761 124 P CB -0.043 31.667 31.700 0.016 0.000 0.794 125 Q N 2.238 122.043 119.800 0.009 0.000 2.256 125 Q HA 0.316 4.655 4.340 -0.001 0.000 0.281 125 Q C 1.471 177.471 176.000 0.000 0.000 1.162 125 Q CA 1.538 57.344 55.803 0.005 0.000 0.943 125 Q CB -0.988 27.752 28.738 0.003 0.000 1.195 125 Q HN 0.779 nan 8.270 nan 0.000 0.403 126 G N 1.770 110.569 108.800 -0.002 0.000 2.231 126 G HA2 -0.227 3.732 3.960 -0.001 0.000 0.206 126 G HA3 -0.227 3.732 3.960 -0.001 0.000 0.206 126 G C 0.160 175.052 174.900 -0.013 0.000 0.996 126 G CA -0.427 44.668 45.100 -0.008 0.000 0.645 126 G HN 0.420 nan 8.290 nan 0.000 0.498 127 K N 0.554 120.946 120.400 -0.012 0.000 2.090 127 K HA 0.607 4.926 4.320 -0.001 0.000 0.249 127 K C 0.086 176.666 176.600 -0.034 0.000 0.995 127 K CA -0.450 55.825 56.287 -0.021 0.000 0.914 127 K CB 0.844 33.336 32.500 -0.012 0.000 1.057 127 K HN 0.059 nan 8.250 nan 0.000 0.462 128 K N 1.495 121.861 120.400 -0.057 0.000 2.295 128 K HA 0.244 4.563 4.320 -0.001 0.000 0.239 128 K C -0.402 176.117 176.600 -0.135 0.000 0.991 128 K CA -0.864 55.369 56.287 -0.090 0.000 0.845 128 K CB 1.350 33.792 32.500 -0.096 0.000 1.197 128 K HN 0.480 nan 8.250 nan 0.000 0.441 129 E N 2.452 122.530 120.200 -0.203 0.000 2.383 129 E HA 0.055 4.404 4.350 -0.001 0.000 0.264 129 E C -1.740 174.550 176.600 -0.516 0.000 1.050 129 E CA -1.476 54.699 56.400 -0.375 0.000 0.896 129 E CB 0.464 29.870 29.700 -0.491 0.000 0.982 129 E HN 0.301 nan 8.360 nan 0.000 0.424 130 P HA 0.009 nan 4.420 nan 0.000 0.279 130 P C -0.794 176.327 177.300 -0.298 0.000 1.451 130 P CA 0.501 63.316 63.100 -0.475 0.000 0.783 130 P CB -0.470 30.934 31.700 -0.494 0.000 1.490 131 F N -3.180 116.768 119.950 -0.004 0.000 2.773 131 F HA 0.593 5.119 4.527 -0.001 0.000 0.314 131 F C -1.040 174.802 175.800 0.070 0.000 1.160 131 F CA -1.791 56.241 58.000 0.053 0.000 0.920 131 F CB 0.584 39.636 39.000 0.086 0.000 1.323 131 F HN -0.263 nan 8.300 nan 0.000 0.457 132 H N 0.368 119.576 119.070 0.230 0.000 2.538 132 H HA 0.725 5.280 4.556 -0.001 0.000 0.353 132 H C -1.659 173.747 175.328 0.129 0.000 1.109 132 H CA -0.991 55.065 56.048 0.014 0.000 1.192 132 H CB 1.511 31.254 29.762 -0.032 0.000 1.555 132 H HN 0.681 nan 8.280 nan 0.000 0.518 133 Y N 0.945 120.909 120.300 -0.559 0.000 2.609 133 Y HA 0.335 4.884 4.550 -0.002 0.000 0.336 133 Y C -0.427 175.098 175.900 -0.626 0.000 1.129 133 Y CA -1.092 56.734 58.100 -0.456 0.000 1.040 133 Y CB 0.912 39.273 38.460 -0.165 0.000 1.310 133 Y HN 0.441 nan 8.280 nan 0.000 0.460 134 D N 0.791 120.986 120.400 -0.343 0.000 2.346 134 D HA 0.310 4.950 4.640 -0.001 0.000 0.206 134 D C 0.548 176.729 176.300 -0.199 0.000 1.001 134 D CA 1.124 54.932 54.000 -0.319 0.000 0.871 134 D CB 1.097 41.694 40.800 -0.338 0.000 0.943 134 D HN 0.861 nan 8.370 nan 0.000 0.518 135 G N 0.377 109.096 108.800 -0.135 0.000 2.645 135 G HA2 0.511 4.470 3.960 -0.001 0.000 0.292 135 G HA3 0.511 4.470 3.960 -0.001 0.000 0.292 135 G C -1.670 173.391 174.900 0.268 0.000 1.415 135 G CA -0.775 44.407 45.100 0.138 0.000 0.785 135 G HN 0.065 nan 8.290 nan 0.000 0.483 136 E N -1.516 118.817 120.200 0.222 0.000 2.429 136 E HA 0.766 5.115 4.350 -0.001 0.000 0.276 136 E C -1.527 175.066 176.600 -0.011 0.000 0.953 136 E CA -1.015 55.400 56.400 0.025 0.000 0.787 136 E CB 2.647 32.306 29.700 -0.070 0.000 1.307 136 E HN 0.424 nan 8.360 nan 0.000 0.458 137 I N 1.203 121.676 120.570 -0.162 0.000 2.619 137 I HA 0.344 4.514 4.170 -0.001 0.000 0.292 137 I C -1.028 174.906 176.117 -0.304 0.000 1.100 137 I CA -0.871 60.257 61.300 -0.285 0.000 1.043 137 I CB 2.196 39.839 38.000 -0.595 0.000 1.239 137 I HN 0.550 nan 8.210 nan 0.000 0.420 138 N N 6.215 124.757 118.700 -0.264 0.000 2.372 138 N HA 0.524 5.263 4.740 -0.001 0.000 0.285 138 N C -1.998 173.317 175.510 -0.325 0.000 1.008 138 N CA -0.456 52.447 53.050 -0.244 0.000 0.880 138 N CB 2.201 40.603 38.487 -0.141 0.000 1.239 138 N HN 0.401 nan 8.380 nan 0.000 0.484 139 L N 4.074 125.122 121.223 -0.292 0.000 2.385 139 L HA 0.582 4.922 4.340 -0.001 0.000 0.273 139 L C -1.753 174.968 176.870 -0.249 0.000 0.990 139 L CA -0.755 53.937 54.840 -0.246 0.000 0.821 139 L CB 1.617 43.590 42.059 -0.144 0.000 1.279 139 L HN 0.490 nan 8.230 nan 0.000 0.412 140 L N 5.676 126.748 121.223 -0.251 0.000 2.349 140 L HA 0.628 4.967 4.340 -0.001 0.000 0.278 140 L C -1.500 175.200 176.870 -0.284 0.000 0.996 140 L CA -0.184 54.474 54.840 -0.303 0.000 0.825 140 L CB 1.510 43.390 42.059 -0.299 0.000 1.243 140 L HN 0.581 nan 8.230 nan 0.000 0.412 141 L N 4.827 125.861 121.223 -0.315 0.000 2.307 141 L HA 0.810 5.150 4.340 -0.001 0.000 0.282 141 L C 0.215 176.894 176.870 -0.318 0.000 1.051 141 L CA -0.176 54.516 54.840 -0.247 0.000 0.804 141 L CB 1.625 43.567 42.059 -0.194 0.000 1.197 141 L HN 0.869 nan 8.230 nan 0.000 0.431 142 S N 0.402 115.964 115.700 -0.230 0.000 2.752 142 S HA 0.783 5.252 4.470 -0.001 0.000 0.284 142 S C -1.868 172.692 174.600 -0.066 0.000 1.189 142 S CA -0.927 57.136 58.200 -0.229 0.000 0.835 142 S CB 2.401 65.360 63.200 -0.400 0.000 1.192 142 S HN 0.612 nan 8.310 nan 0.000 0.506 143 D N -0.740 119.671 120.400 0.018 0.000 2.552 143 D HA 0.528 5.167 4.640 -0.001 0.000 0.239 143 D C -1.549 174.852 176.300 0.169 0.000 1.139 143 D CA -0.451 53.538 54.000 -0.018 0.000 0.914 143 D CB 1.049 41.713 40.800 -0.226 0.000 1.461 143 D HN 0.759 nan 8.370 nan 0.000 0.462 144 W N 1.550 122.694 121.300 -0.260 0.000 3.259 144 W HA 0.418 5.078 4.660 -0.001 0.000 0.331 144 W C -1.976 174.419 176.519 -0.206 0.000 1.144 144 W CA -0.819 56.501 57.345 -0.041 0.000 1.227 144 W CB 1.293 30.780 29.460 0.046 0.000 1.371 144 W HN 0.387 nan 8.180 nan 0.000 0.491 145 W N 4.173 125.068 121.300 -0.674 0.000 2.578 145 W HA 0.267 4.926 4.660 -0.001 0.000 0.353 145 W C 0.872 176.937 176.519 -0.758 0.000 1.088 145 W CA -0.460 56.528 57.345 -0.597 0.000 1.235 145 W CB 1.224 30.414 29.460 -0.450 0.000 1.362 145 W HN 0.551 nan 8.180 nan 0.000 0.592 146 H N -0.031 118.823 119.070 -0.360 0.000 2.553 146 H HA 0.013 4.568 4.556 -0.001 0.000 0.265 146 H C 0.628 175.807 175.328 -0.248 0.000 0.964 146 H CA 0.148 55.986 56.048 -0.350 0.000 1.156 146 H CB 1.217 30.809 29.762 -0.283 0.000 1.411 146 H HN 0.229 nan 8.280 nan 0.000 0.558 147 Q N 1.307 121.050 119.800 -0.094 0.000 2.227 147 Q HA 0.193 4.532 4.340 -0.001 0.000 0.245 147 Q C -0.394 175.494 176.000 -0.186 0.000 0.926 147 Q CA -0.665 55.071 55.803 -0.112 0.000 0.895 147 Q CB 1.192 29.864 28.738 -0.110 0.000 1.230 147 Q HN 0.129 nan 8.270 nan 0.000 0.450 148 S N 3.395 119.008 115.700 -0.146 0.000 2.558 148 S HA -0.029 4.440 4.470 -0.001 0.000 0.291 148 S C 1.390 175.859 174.600 -0.217 0.000 1.306 148 S CA -0.466 57.647 58.200 -0.145 0.000 1.056 148 S CB 0.308 63.474 63.200 -0.058 0.000 0.836 148 S HN 0.540 nan 8.310 nan 0.000 0.504 149 I N 2.166 122.567 120.570 -0.282 0.000 2.315 149 I HA -0.135 4.035 4.170 -0.001 0.000 0.248 149 I C 1.804 177.699 176.117 -0.370 0.000 1.117 149 I CA 1.707 62.772 61.300 -0.392 0.000 1.404 149 I CB -1.580 36.147 38.000 -0.455 0.000 1.071 149 I HN 0.718 nan 8.210 nan 0.000 0.419 150 H N 0.208 119.193 119.070 -0.141 0.000 2.495 150 H HA -0.056 4.499 4.556 -0.001 0.000 0.287 150 H C 2.209 177.466 175.328 -0.118 0.000 1.033 150 H CA 0.977 56.958 56.048 -0.112 0.000 1.307 150 H CB 0.054 29.764 29.762 -0.087 0.000 1.401 150 H HN 0.249 nan 8.280 nan 0.000 0.555 151 K N 0.656 121.037 120.400 -0.032 0.000 2.243 151 K HA -0.054 4.266 4.320 -0.001 0.000 0.201 151 K C 1.717 178.241 176.600 -0.127 0.000 1.051 151 K CA 0.508 56.758 56.287 -0.062 0.000 0.970 151 K CB 0.342 32.805 32.500 -0.062 0.000 0.755 151 K HN 0.315 nan 8.250 nan 0.000 0.465 152 Q N 0.459 120.131 119.800 -0.213 0.000 2.046 152 Q HA -0.163 4.176 4.340 -0.001 0.000 0.200 152 Q C 1.788 177.600 176.000 -0.313 0.000 0.975 152 Q CA 1.490 57.106 55.803 -0.312 0.000 0.836 152 Q CB 0.042 28.504 28.738 -0.461 0.000 0.896 152 Q HN 0.386 nan 8.270 nan 0.000 0.428 153 E N -0.036 119.971 120.200 -0.321 0.000 2.077 153 E HA -0.165 4.184 4.350 -0.001 0.000 0.193 153 E C 2.069 178.583 176.600 -0.143 0.000 0.989 153 E CA 1.190 57.366 56.400 -0.372 0.000 0.800 153 E CB 0.117 29.672 29.700 -0.241 0.000 0.746 153 E HN 0.109 nan 8.360 nan 0.000 0.452 154 V N 0.410 120.288 119.914 -0.061 0.000 2.427 154 V HA -0.160 3.959 4.120 -0.001 0.000 0.248 154 V C 2.294 178.396 176.094 0.012 0.000 1.051 154 V CA 1.860 64.163 62.300 0.006 0.000 1.048 154 V CB -0.727 31.101 31.823 0.008 0.000 0.666 154 V HN 0.403 nan 8.190 nan 0.000 0.456 155 G N -0.198 108.583 108.800 -0.032 0.000 2.422 155 G HA2 -0.200 3.759 3.960 -0.001 0.000 0.218 155 G HA3 -0.200 3.759 3.960 -0.001 0.000 0.218 155 G C 1.484 176.410 174.900 0.043 0.000 1.146 155 G CA 0.741 45.837 45.100 -0.006 0.000 0.769 155 G HN 0.507 nan 8.290 nan 0.000 0.547 156 L N 0.751 121.989 121.223 0.025 0.000 2.492 156 L HA 0.118 4.457 4.340 -0.001 0.000 0.223 156 L C 2.310 179.322 176.870 0.237 0.000 1.132 156 L CA 0.358 55.281 54.840 0.138 0.000 0.850 156 L CB 0.287 42.410 42.059 0.107 0.000 0.966 156 L HN 0.105 nan 8.230 nan 0.000 0.454 157 S N -1.561 114.266 115.700 0.212 0.000 2.535 157 S HA 0.114 4.583 4.470 -0.001 0.000 0.214 157 S C 0.959 175.697 174.600 0.229 0.000 0.980 157 S CA -0.221 58.089 58.200 0.184 0.000 0.907 157 S CB 0.323 63.605 63.200 0.138 0.000 0.790 157 S HN 0.210 nan 8.310 nan 0.000 0.510 158 S N 1.940 117.767 115.700 0.213 0.000 2.614 158 S HA 0.329 4.799 4.470 -0.001 0.000 0.265 158 S C -0.001 174.731 174.600 0.221 0.000 1.303 158 S CA -0.381 57.944 58.200 0.209 0.000 1.000 158 S CB 0.812 64.080 63.200 0.114 0.000 0.935 158 S HN 0.317 nan 8.310 nan 0.000 0.551 159 K N 2.442 122.896 120.400 0.090 0.000 2.535 159 K HA 0.357 4.676 4.320 -0.001 0.000 0.253 159 K C -2.558 174.004 176.600 -0.063 0.000 0.953 159 K CA -1.617 54.590 56.287 -0.133 0.000 0.863 159 K CB 0.704 32.899 32.500 -0.509 0.000 1.111 159 K HN 0.390 nan 8.250 nan 0.000 0.431 160 P HA 0.081 nan 4.420 nan 0.000 0.271 160 P C -0.062 177.263 177.300 0.042 0.000 1.216 160 P CA -0.429 62.662 63.100 -0.014 0.000 0.776 160 P CB 0.768 32.462 31.700 -0.009 0.000 0.881 161 I N 2.914 123.526 120.570 0.069 0.000 2.775 161 I HA -0.057 4.112 4.170 -0.001 0.000 0.290 161 I C 0.506 176.700 176.117 0.128 0.000 1.203 161 I CA 0.045 61.419 61.300 0.124 0.000 1.433 161 I CB 0.257 38.351 38.000 0.157 0.000 1.354 161 I HN 0.287 nan 8.210 nan 0.000 0.579 162 R N 8.198 128.772 120.500 0.124 0.000 2.239 162 R HA 0.173 4.512 4.340 -0.001 0.000 0.332 162 R C -0.711 175.676 176.300 0.146 0.000 0.988 162 R CA -0.578 55.589 56.100 0.112 0.000 0.859 162 R CB 0.884 31.214 30.300 0.049 0.000 1.148 162 R HN 0.675 nan 8.270 nan 0.000 0.482 163 W N 5.949 127.261 121.300 0.020 0.000 2.216 163 W HA 0.029 4.688 4.660 -0.001 0.000 0.326 163 W C 1.060 177.578 176.519 -0.001 0.000 1.319 163 W CA -0.542 56.818 57.345 0.025 0.000 1.213 163 W CB 0.623 30.117 29.460 0.057 0.000 1.171 163 W HN 0.715 nan 8.180 nan 0.000 0.557 164 I N 3.616 123.669 120.570 -0.861 0.000 2.614 164 I HA 0.132 4.301 4.170 -0.001 0.000 0.258 164 I C 0.988 176.804 176.117 -0.500 0.000 1.189 164 I CA 1.192 62.037 61.300 -0.758 0.000 1.462 164 I CB -0.832 36.531 38.000 -1.062 0.000 1.092 164 I HN 0.588 nan 8.210 nan 0.000 0.442 165 G N 1.455 109.869 108.800 -0.643 0.000 2.796 165 G HA2 -0.179 3.780 3.960 -0.001 0.000 0.571 165 G HA3 -0.179 3.780 3.960 -0.001 0.000 0.571 165 G C -0.632 174.420 174.900 0.253 0.000 1.370 165 G CA -0.541 44.584 45.100 0.043 0.000 0.856 165 G HN 0.374 nan 8.290 nan 0.000 0.538 166 E N 1.572 121.901 120.200 0.215 0.000 2.373 166 E HA 0.324 4.673 4.350 -0.001 0.000 0.267 166 E C -1.499 174.998 176.600 -0.172 0.000 1.032 166 E CA -1.092 55.360 56.400 0.087 0.000 0.889 166 E CB 0.666 30.361 29.700 -0.007 0.000 0.984 166 E HN 0.430 nan 8.360 nan 0.000 0.425 167 P HA -0.009 nan 4.420 nan 0.000 0.269 167 P C 0.075 176.977 177.300 -0.663 0.000 1.217 167 P CA 0.110 62.444 63.100 -1.276 0.000 0.783 167 P CB 0.848 31.750 31.700 -1.330 0.000 0.898 168 Q N -0.274 119.135 119.800 -0.651 0.000 2.204 168 Q HA 0.099 4.438 4.340 -0.001 0.000 0.198 168 Q C 0.175 176.108 176.000 -0.112 0.000 0.946 168 Q CA 1.495 57.089 55.803 -0.349 0.000 0.859 168 Q CB 0.122 28.419 28.738 -0.735 0.000 0.946 168 Q HN 0.513 nan 8.270 nan 0.000 0.474 169 T N 0.077 114.561 114.554 -0.117 0.000 2.952 169 T HA 0.412 4.761 4.350 -0.001 0.000 0.305 169 T C -0.869 173.823 174.700 -0.014 0.000 1.064 169 T CA -0.672 61.449 62.100 0.036 0.000 1.008 169 T CB 1.447 70.436 68.868 0.202 0.000 1.078 169 T HN -0.091 nan 8.240 nan 0.000 0.459 170 I N 3.529 124.080 120.570 -0.031 0.000 2.395 170 I HA 0.359 4.528 4.170 -0.001 0.000 0.289 170 I C -0.043 176.076 176.117 0.002 0.000 1.023 170 I CA -0.568 60.706 61.300 -0.044 0.000 1.350 170 I CB 0.661 38.623 38.000 -0.064 0.000 1.409 170 I HN 0.496 nan 8.210 nan 0.000 0.507 171 L N 6.590 127.819 121.223 0.010 0.000 2.329 171 L HA 0.480 4.819 4.340 -0.001 0.000 0.279 171 L C -0.906 175.952 176.870 -0.019 0.000 1.014 171 L CA -0.961 53.894 54.840 0.025 0.000 0.814 171 L CB 1.840 43.947 42.059 0.080 0.000 1.257 171 L HN 0.252 nan 8.230 nan 0.000 0.424 172 L N 4.079 125.294 121.223 -0.014 0.000 2.353 172 L HA 0.413 4.753 4.340 -0.001 0.000 0.270 172 L C -0.030 176.809 176.870 -0.051 0.000 1.003 172 L CA -0.239 54.579 54.840 -0.036 0.000 0.862 172 L CB 0.648 42.698 42.059 -0.016 0.000 1.221 172 L HN 0.512 nan 8.230 nan 0.000 0.430 173 N N 3.268 121.898 118.700 -0.117 0.000 2.740 173 N HA -0.210 4.529 4.740 -0.001 0.000 0.248 173 N C 1.158 176.610 175.510 -0.097 0.000 1.062 173 N CA 1.250 54.207 53.050 -0.155 0.000 0.704 173 N CB -0.941 37.396 38.487 -0.251 0.000 0.968 173 N HN 1.050 nan 8.380 nan 0.000 0.547 174 G N -1.616 107.135 108.800 -0.081 0.000 2.179 174 G HA2 -0.376 3.583 3.960 -0.001 0.000 0.260 174 G HA3 -0.376 3.583 3.960 -0.001 0.000 0.260 174 G C 0.177 175.162 174.900 0.142 0.000 0.977 174 G CA 0.818 45.901 45.100 -0.028 0.000 0.641 174 G HN 0.617 nan 8.290 nan 0.000 0.533 175 R N -0.245 120.318 120.500 0.104 0.000 2.778 175 R HA 0.757 5.097 4.340 -0.001 0.000 0.277 175 R C 0.428 176.771 176.300 0.071 0.000 0.977 175 R CA 0.100 56.268 56.100 0.113 0.000 0.950 175 R CB 2.029 32.404 30.300 0.125 0.000 1.165 175 R HN 0.798 nan 8.270 nan 0.000 0.474 176 G N 0.435 109.275 108.800 0.067 0.000 2.506 176 G HA2 0.426 4.385 3.960 -0.001 0.000 0.292 176 G HA3 0.426 4.385 3.960 -0.001 0.000 0.292 176 G C -1.854 173.095 174.900 0.082 0.000 1.425 176 G CA -0.688 44.449 45.100 0.062 0.000 0.788 176 G HN 0.310 nan 8.290 nan 0.000 0.490 177 Q N -0.776 119.075 119.800 0.085 0.000 2.375 177 Q HA 0.737 5.077 4.340 -0.001 0.000 0.271 177 Q C -1.575 174.523 176.000 0.163 0.000 1.074 177 Q CA -0.573 55.292 55.803 0.103 0.000 0.808 177 Q CB 2.967 31.732 28.738 0.044 0.000 1.327 177 Q HN 0.539 nan 8.270 nan 0.000 0.441 178 F N 2.022 121.993 119.950 0.035 0.000 2.529 178 F HA 0.411 4.937 4.527 -0.001 0.000 0.320 178 F C -0.202 175.613 175.800 0.024 0.000 1.118 178 F CA -0.640 57.384 58.000 0.040 0.000 0.915 178 F CB 1.411 40.490 39.000 0.131 0.000 1.161 178 F HN 0.637 nan 8.300 nan 0.000 0.445 179 D N 1.913 121.869 120.400 -0.739 0.000 2.978 179 D HA -0.249 4.390 4.640 -0.001 0.000 0.205 179 D C -0.346 175.811 176.300 -0.237 0.000 1.093 179 D CA 1.765 55.439 54.000 -0.542 0.000 1.006 179 D CB -1.331 39.178 40.800 -0.485 0.000 1.116 179 D HN 0.655 nan 8.370 nan 0.000 0.419 180 c N -2.630 115.880 118.600 -0.151 0.000 3.236 180 c HA 0.874 5.443 4.570 -0.001 0.000 0.312 180 c C -0.182 173.862 174.090 -0.076 0.000 1.374 180 c CA -0.470 55.805 56.329 -0.091 0.000 1.455 180 c CB 2.312 44.792 42.510 -0.050 0.000 1.834 180 c HN 0.223 nan 8.230 nan 0.000 0.460 181 S N -0.341 115.320 115.700 -0.064 0.000 2.547 181 S HA 0.570 5.039 4.470 -0.001 0.000 0.281 181 S C 0.560 175.139 174.600 -0.035 0.000 1.118 181 S CA -0.538 57.622 58.200 -0.066 0.000 0.947 181 S CB 1.106 64.251 63.200 -0.092 0.000 1.053 181 S HN 1.257 nan 8.310 nan 0.000 0.482 182 I N 1.935 122.497 120.570 -0.015 0.000 3.001 182 I HA 0.310 4.479 4.170 -0.001 0.000 0.268 182 I C 1.225 177.399 176.117 0.095 0.000 1.267 182 I CA 0.847 62.182 61.300 0.059 0.000 1.472 182 I CB -0.199 37.875 38.000 0.124 0.000 1.089 182 I HN 0.509 nan 8.210 nan 0.000 0.468 183 A N 1.046 123.836 122.820 -0.049 0.000 2.684 183 A HA 0.715 5.034 4.320 -0.001 0.000 0.288 183 A C 2.003 179.604 177.584 0.029 0.000 1.337 183 A CA 0.331 52.350 52.037 -0.031 0.000 0.946 183 A CB -0.451 18.282 19.000 -0.445 0.000 1.093 183 A HN 0.468 nan 8.150 nan 0.000 0.543 184 A N 0.516 123.320 122.820 -0.027 0.000 2.125 184 A HA -0.114 4.205 4.320 -0.001 0.000 0.219 184 A C 1.983 179.499 177.584 -0.112 0.000 1.156 184 A CA 1.624 53.627 52.037 -0.056 0.000 0.671 184 A CB -0.348 18.618 19.000 -0.056 0.000 0.794 184 A HN 0.581 nan 8.150 nan 0.000 0.459 185 K N -0.897 119.360 120.400 -0.239 0.000 2.074 185 K HA -0.214 4.105 4.320 -0.001 0.000 0.209 185 K C 1.122 177.447 176.600 -0.460 0.000 1.048 185 K CA 1.968 57.995 56.287 -0.434 0.000 0.926 185 K CB -0.331 31.752 32.500 -0.695 0.000 0.713 185 K HN 0.604 nan 8.250 nan 0.000 0.444 186 Y N -0.094 120.196 120.300 -0.017 0.000 2.529 186 Y HA 0.144 4.693 4.550 -0.002 0.000 0.290 186 Y C -0.096 175.780 175.900 -0.040 0.000 1.177 186 Y CA -0.157 57.928 58.100 -0.025 0.000 1.305 186 Y CB 0.334 38.771 38.460 -0.037 0.000 1.047 186 Y HN 0.005 nan 8.280 nan 0.000 0.522 187 D N -1.550 118.863 120.400 0.021 0.000 2.764 187 D HA 0.179 4.818 4.640 -0.001 0.000 0.227 187 D C 0.301 176.585 176.300 -0.027 0.000 1.347 187 D CA -0.177 53.825 54.000 0.004 0.000 0.953 187 D CB 1.487 42.291 40.800 0.007 0.000 1.476 187 D HN -0.103 nan 8.370 nan 0.000 0.585 188 S N 2.347 118.030 115.700 -0.027 0.000 2.419 188 S HA -0.145 4.324 4.470 -0.001 0.000 0.235 188 S C 1.340 175.920 174.600 -0.034 0.000 1.019 188 S CA 0.822 59.003 58.200 -0.033 0.000 0.982 188 S CB -0.240 62.944 63.200 -0.027 0.000 0.789 188 S HN 0.605 nan 8.310 nan 0.000 0.490 189 N N 0.505 119.186 118.700 -0.032 0.000 2.461 189 N HA 0.180 4.919 4.740 -0.001 0.000 0.188 189 N C -0.287 175.194 175.510 -0.048 0.000 1.134 189 N CA 0.078 53.106 53.050 -0.037 0.000 0.878 189 N CB 0.039 38.505 38.487 -0.034 0.000 0.972 189 N HN 0.327 nan 8.380 nan 0.000 0.456 190 L N 0.428 121.621 121.223 -0.050 0.000 2.334 190 L HA 0.378 4.717 4.340 -0.001 0.000 0.270 190 L C -0.076 176.757 176.870 -0.061 0.000 1.018 190 L CA -0.801 54.002 54.840 -0.062 0.000 0.811 190 L CB 1.719 43.741 42.059 -0.062 0.000 1.271 190 L HN -0.081 nan 8.230 nan 0.000 0.443 191 E N 2.290 122.449 120.200 -0.069 0.000 2.197 191 E HA 0.348 4.697 4.350 -0.001 0.000 0.281 191 E C -2.470 174.098 176.600 -0.054 0.000 0.995 191 E CA -1.853 54.511 56.400 -0.061 0.000 0.808 191 E CB 1.408 31.066 29.700 -0.069 0.000 1.093 191 E HN 0.136 nan 8.360 nan 0.000 0.394 192 P HA 0.085 nan 4.420 nan 0.000 0.271 192 P C -0.745 176.539 177.300 -0.026 0.000 1.216 192 P CA -0.393 62.686 63.100 -0.034 0.000 0.776 192 P CB 0.601 32.281 31.700 -0.034 0.000 0.881 193 c N 3.541 122.131 118.600 -0.016 0.000 2.463 193 c HA 0.234 4.803 4.570 -0.001 0.000 0.380 193 c C 0.962 175.049 174.090 -0.005 0.000 1.264 193 c CA -0.302 56.023 56.329 -0.007 0.000 2.161 193 c CB -0.336 42.176 42.510 0.003 0.000 2.515 193 c HN 0.482 nan 8.230 nan 0.000 0.565 194 K N 3.221 123.618 120.400 -0.005 0.000 2.319 194 K HA 0.474 4.793 4.320 -0.001 0.000 0.237 194 K C -0.909 175.688 176.600 -0.004 0.000 1.113 194 K CA 0.213 56.496 56.287 -0.006 0.000 1.072 194 K CB 0.145 32.639 32.500 -0.009 0.000 1.734 194 K HN 0.552 nan 8.250 nan 0.000 0.429 195 L N 1.455 122.678 121.223 -0.000 0.000 2.346 195 L HA 0.374 4.714 4.340 -0.001 0.000 0.274 195 L C 0.755 177.625 176.870 0.000 0.000 1.007 195 L CA -0.712 54.129 54.840 0.001 0.000 0.818 195 L CB 1.838 43.902 42.059 0.008 0.000 1.284 195 L HN 0.308 nan 8.230 nan 0.000 0.424 196 K N 1.087 121.486 120.400 -0.002 0.000 2.358 196 K HA 0.282 4.601 4.320 -0.001 0.000 0.197 196 K C 1.100 177.701 176.600 0.003 0.000 1.025 196 K CA 0.550 56.836 56.287 -0.001 0.000 1.104 196 K CB 0.802 33.299 32.500 -0.004 0.000 0.855 196 K HN 0.991 nan 8.250 nan 0.000 0.531 197 G N 1.107 109.911 108.800 0.006 0.000 2.254 197 G HA2 -0.328 3.632 3.960 -0.001 0.000 0.225 197 G HA3 -0.328 3.632 3.960 -0.001 0.000 0.225 197 G C 1.093 176.001 174.900 0.013 0.000 1.003 197 G CA 0.480 45.586 45.100 0.010 0.000 0.622 197 G HN 0.334 nan 8.290 nan 0.000 0.507 198 S N 0.392 116.097 115.700 0.008 0.000 2.496 198 S HA 0.354 4.823 4.470 -0.001 0.000 0.224 198 S C 0.745 175.348 174.600 0.005 0.000 0.996 198 S CA 1.045 59.251 58.200 0.009 0.000 0.927 198 S CB 0.364 63.565 63.200 0.003 0.000 0.774 198 S HN 0.616 nan 8.310 nan 0.000 0.524 199 E N 2.151 122.349 120.200 -0.004 0.000 2.371 199 E HA 0.314 4.663 4.350 -0.001 0.000 0.257 199 E C 1.214 177.803 176.600 -0.018 0.000 1.134 199 E CA 0.325 56.708 56.400 -0.029 0.000 0.919 199 E CB 0.521 30.202 29.700 -0.033 0.000 1.025 199 E HN 0.316 nan 8.360 nan 0.000 0.438 200 S N -0.378 115.267 115.700 -0.092 0.000 2.419 200 S HA -0.175 4.294 4.470 -0.001 0.000 0.233 200 S C 1.720 176.344 174.600 0.040 0.000 1.016 200 S CA 0.959 59.114 58.200 -0.076 0.000 0.974 200 S CB -0.608 62.303 63.200 -0.483 0.000 0.786 200 S HN 0.718 nan 8.310 nan 0.000 0.492 201 c N 1.177 119.778 118.600 0.001 0.000 2.855 201 c HA 0.804 5.373 4.570 -0.001 0.000 0.279 201 c C 1.085 175.206 174.090 0.050 0.000 1.270 201 c CA -1.176 55.177 56.329 0.040 0.000 1.702 201 c CB -1.822 40.702 42.510 0.023 0.000 1.949 201 c HN 0.565 nan 8.230 nan 0.000 0.618 202 A N 3.265 126.113 122.820 0.047 0.000 2.440 202 A HA 0.574 4.893 4.320 -0.001 0.000 0.251 202 A C -1.886 175.734 177.584 0.060 0.000 1.089 202 A CA -0.862 51.201 52.037 0.043 0.000 0.779 202 A CB -0.078 18.941 19.000 0.031 0.000 1.022 202 A HN 0.555 nan 8.150 nan 0.000 0.492 203 P HA -0.076 nan 4.420 nan 0.000 0.265 203 P C -0.872 176.471 177.300 0.071 0.000 1.193 203 P CA 0.329 63.461 63.100 0.052 0.000 0.765 203 P CB 0.228 31.943 31.700 0.025 0.000 0.823 204 Y N 4.517 124.796 120.300 -0.034 0.000 2.637 204 Y HA 0.195 4.744 4.550 -0.001 0.000 0.350 204 Y C 0.322 176.164 175.900 -0.097 0.000 1.069 204 Y CA -0.156 57.942 58.100 -0.004 0.000 1.397 204 Y CB -0.536 37.963 38.460 0.065 0.000 1.163 204 Y HN 0.222 nan 8.280 nan 0.000 0.527 205 I N 6.633 127.145 120.570 -0.097 0.000 2.519 205 I HA 0.062 4.231 4.170 -0.001 0.000 0.287 205 I C -0.695 175.381 176.117 -0.067 0.000 1.047 205 I CA -0.351 60.828 61.300 -0.201 0.000 1.381 205 I CB 0.439 38.255 38.000 -0.307 0.000 1.417 205 I HN 0.385 nan 8.210 nan 0.000 0.540 206 F N 4.607 124.455 119.950 -0.169 0.000 2.350 206 F HA 0.303 4.829 4.527 -0.001 0.000 0.365 206 F C 0.490 176.130 175.800 -0.266 0.000 1.122 206 F CA -0.809 57.116 58.000 -0.125 0.000 1.139 206 F CB -0.217 38.753 39.000 -0.050 0.000 1.220 206 F HN 0.323 nan 8.300 nan 0.000 0.499 207 H N 3.384 122.509 119.070 0.091 0.000 2.668 207 H HA 0.537 5.092 4.556 -0.002 0.000 0.303 207 H C -0.108 175.148 175.328 -0.120 0.000 1.074 207 H CA -0.189 55.857 56.048 -0.003 0.000 1.406 207 H CB 1.691 31.452 29.762 -0.001 0.000 1.442 207 H HN 0.429 nan 8.280 nan 0.000 0.482 208 V N 0.562 120.444 119.914 -0.053 0.000 3.007 208 V HA 0.602 4.721 4.120 -0.001 0.000 0.311 208 V C 0.013 176.062 176.094 -0.075 0.000 1.120 208 V CA -0.973 61.192 62.300 -0.226 0.000 0.980 208 V CB 2.176 33.685 31.823 -0.522 0.000 1.033 208 V HN 0.628 nan 8.190 nan 0.000 0.429 209 S N 3.095 118.828 115.700 0.055 0.000 2.608 209 S HA 0.736 5.205 4.470 -0.001 0.000 0.291 209 S C -2.613 171.968 174.600 -0.031 0.000 1.146 209 S CA -1.071 57.153 58.200 0.040 0.000 1.043 209 S CB 1.383 64.642 63.200 0.099 0.000 1.037 209 S HN 0.820 nan 8.310 nan 0.000 0.520 210 P HA 0.232 nan 4.420 nan 0.000 0.272 210 P C -0.386 176.948 177.300 0.056 0.000 1.240 210 P CA -0.294 62.810 63.100 0.008 0.000 0.791 210 P CB 0.247 32.040 31.700 0.156 0.000 0.978 211 K N -1.960 118.490 120.400 0.083 0.000 3.020 211 K HA -0.171 4.148 4.320 -0.001 0.000 0.266 211 K C -0.145 176.488 176.600 0.055 0.000 1.067 211 K CA 1.239 57.571 56.287 0.075 0.000 0.780 211 K CB -1.553 30.988 32.500 0.067 0.000 1.220 211 K HN 0.482 nan 8.250 nan 0.000 0.483 212 K N -0.014 120.421 120.400 0.058 0.000 2.295 212 K HA 0.509 4.828 4.320 -0.001 0.000 0.239 212 K C 0.194 176.776 176.600 -0.031 0.000 0.991 212 K CA -0.563 55.705 56.287 -0.031 0.000 0.845 212 K CB 1.516 33.935 32.500 -0.135 0.000 1.197 212 K HN -0.084 nan 8.250 nan 0.000 0.441 213 T N 1.271 115.724 114.554 -0.169 0.000 2.823 213 T HA 0.599 4.949 4.350 -0.001 0.000 0.279 213 T C -0.967 173.582 174.700 -0.252 0.000 0.998 213 T CA -0.463 61.604 62.100 -0.056 0.000 0.994 213 T CB 0.430 69.314 68.868 0.026 0.000 0.960 213 T HN 0.255 nan 8.240 nan 0.000 0.448 214 Y N 0.738 121.052 120.300 0.022 0.000 2.545 214 Y HA 0.598 5.147 4.550 -0.002 0.000 0.348 214 Y C 0.237 176.023 175.900 -0.190 0.000 1.002 214 Y CA -1.393 56.680 58.100 -0.045 0.000 1.039 214 Y CB 1.766 40.181 38.460 -0.075 0.000 1.271 214 Y HN 0.485 nan 8.280 nan 0.000 0.467 215 R N 2.923 123.254 120.500 -0.282 0.000 2.215 215 R HA 0.559 4.898 4.340 -0.001 0.000 0.337 215 R C -1.756 174.360 176.300 -0.307 0.000 1.010 215 R CA -0.056 55.746 56.100 -0.497 0.000 0.871 215 R CB -0.187 29.419 30.300 -1.157 0.000 1.134 215 R HN 0.697 nan 8.270 nan 0.000 0.477 216 I N 5.626 126.044 120.570 -0.252 0.000 2.297 216 I HA 0.291 4.460 4.170 -0.001 0.000 0.291 216 I C 0.240 176.180 176.117 -0.295 0.000 1.033 216 I CA -0.660 60.466 61.300 -0.290 0.000 1.253 216 I CB 1.172 39.010 38.000 -0.270 0.000 1.396 216 I HN 0.476 nan 8.210 nan 0.000 0.476 217 R N 7.386 127.718 120.500 -0.281 0.000 2.234 217 R HA 0.612 4.952 4.340 -0.001 0.000 0.324 217 R C -0.868 175.270 176.300 -0.270 0.000 1.054 217 R CA -0.364 55.592 56.100 -0.240 0.000 0.912 217 R CB 0.861 31.043 30.300 -0.197 0.000 1.030 217 R HN 0.544 nan 8.270 nan 0.000 0.455 218 I N 2.117 122.532 120.570 -0.257 0.000 2.418 218 I HA 0.483 4.652 4.170 -0.001 0.000 0.287 218 I C -0.344 175.652 176.117 -0.202 0.000 1.008 218 I CA -0.588 60.539 61.300 -0.288 0.000 1.104 218 I CB 2.077 39.823 38.000 -0.423 0.000 1.264 218 I HN 0.641 nan 8.210 nan 0.000 0.438 219 A N 3.993 126.657 122.820 -0.261 0.000 2.413 219 A HA 0.844 5.164 4.320 -0.001 0.000 0.307 219 A C -0.853 176.437 177.584 -0.490 0.000 1.087 219 A CA -0.606 51.235 52.037 -0.327 0.000 0.750 219 A CB 2.034 20.823 19.000 -0.350 0.000 1.296 219 A HN 0.527 nan 8.150 nan 0.000 0.423 220 S N -0.038 115.318 115.700 -0.573 0.000 2.519 220 S HA 0.635 5.104 4.470 -0.001 0.000 0.309 220 S C -0.276 173.867 174.600 -0.762 0.000 1.100 220 S CA -0.162 57.718 58.200 -0.533 0.000 1.059 220 S CB 0.787 63.839 63.200 -0.247 0.000 1.008 220 S HN 0.795 nan 8.310 nan 0.000 0.478 221 T N 2.208 116.354 114.554 -0.682 0.000 3.448 221 T HA 0.201 4.550 4.350 -0.001 0.000 0.271 221 T C 0.256 174.757 174.700 -0.331 0.000 1.002 221 T CA -0.521 61.270 62.100 -0.514 0.000 0.995 221 T CB -0.297 68.162 68.868 -0.681 0.000 1.153 221 T HN 0.732 nan 8.240 nan 0.000 0.510 222 T N -0.494 113.940 114.554 -0.201 0.000 2.918 222 T HA 0.585 4.934 4.350 -0.001 0.000 0.302 222 T C 1.684 176.376 174.700 -0.014 0.000 1.045 222 T CA -0.235 61.809 62.100 -0.095 0.000 1.114 222 T CB 1.446 70.278 68.868 -0.060 0.000 0.965 222 T HN 0.170 nan 8.240 nan 0.000 0.540 223 A N 1.930 124.800 122.820 0.083 0.000 1.968 223 A HA 0.195 4.514 4.320 -0.001 0.000 0.217 223 A C 1.876 179.494 177.584 0.056 0.000 1.169 223 A CA 1.253 53.315 52.037 0.040 0.000 0.638 223 A CB -0.519 18.508 19.000 0.045 0.000 0.812 223 A HN 0.854 nan 8.150 nan 0.000 0.446 224 L N -2.920 118.416 121.223 0.189 0.000 2.746 224 L HA 0.576 4.915 4.340 -0.001 0.000 0.230 224 L C 1.013 177.949 176.870 0.109 0.000 1.034 224 L CA 0.920 55.853 54.840 0.154 0.000 0.922 224 L CB -0.173 42.082 42.059 0.327 0.000 1.496 224 L HN 0.159 nan 8.230 nan 0.000 0.498 225 A N 1.172 124.039 122.820 0.079 0.000 2.477 225 A HA 0.637 4.956 4.320 -0.001 0.000 0.246 225 A C 0.179 177.784 177.584 0.035 0.000 1.078 225 A CA 0.310 52.367 52.037 0.034 0.000 0.770 225 A CB -0.237 18.739 19.000 -0.039 0.000 1.011 225 A HN 0.513 nan 8.150 nan 0.000 0.494 226 A N 2.751 125.603 122.820 0.054 0.000 2.276 226 A HA 0.674 4.993 4.320 -0.001 0.000 0.316 226 A C -0.241 177.298 177.584 -0.075 0.000 1.229 226 A CA -0.406 51.637 52.037 0.010 0.000 0.851 226 A CB 0.263 19.343 19.000 0.133 0.000 1.165 226 A HN 0.819 nan 8.150 nan 0.000 0.513 227 L N 1.875 123.010 121.223 -0.147 0.000 2.279 227 L HA 0.579 4.918 4.340 -0.001 0.000 0.262 227 L C 0.129 176.904 176.870 -0.158 0.000 1.019 227 L CA -0.898 53.871 54.840 -0.119 0.000 0.823 227 L CB 1.885 43.891 42.059 -0.088 0.000 1.358 227 L HN 0.791 nan 8.230 nan 0.000 0.432 228 N N 0.741 119.373 118.700 -0.114 0.000 2.410 228 N HA 0.308 5.047 4.740 -0.001 0.000 0.287 228 N C -1.883 173.595 175.510 -0.054 0.000 1.044 228 N CA -0.361 52.613 53.050 -0.126 0.000 0.881 228 N CB 1.921 40.327 38.487 -0.135 0.000 1.405 228 N HN 0.394 nan 8.380 nan 0.000 0.490 229 F N 3.390 123.226 119.950 -0.190 0.000 2.408 229 F HA 0.703 5.229 4.527 -0.001 0.000 0.344 229 F C -0.612 175.117 175.800 -0.119 0.000 1.112 229 F CA -0.253 57.665 58.000 -0.137 0.000 1.096 229 F CB 1.124 40.042 39.000 -0.137 0.000 1.129 229 F HN 0.538 nan 8.300 nan 0.000 0.486 230 A N 7.081 129.468 122.820 -0.721 0.000 2.547 230 A HA 0.720 5.039 4.320 -0.001 0.000 0.297 230 A C -1.614 175.666 177.584 -0.507 0.000 1.056 230 A CA -0.619 51.144 52.037 -0.456 0.000 0.688 230 A CB 1.006 19.866 19.000 -0.234 0.000 1.282 230 A HN 0.701 nan 8.150 nan 0.000 0.400 231 I N 1.848 122.254 120.570 -0.275 0.000 2.433 231 I HA 0.459 4.629 4.170 -0.001 0.000 0.292 231 I C 1.026 177.145 176.117 0.003 0.000 1.001 231 I CA -0.825 60.385 61.300 -0.150 0.000 1.119 231 I CB 2.063 39.997 38.000 -0.110 0.000 1.289 231 I HN 0.829 nan 8.210 nan 0.000 0.438 232 G N 3.393 112.240 108.800 0.077 0.000 2.254 232 G HA2 0.037 3.996 3.960 -0.001 0.000 0.253 232 G HA3 0.037 3.996 3.960 -0.001 0.000 0.253 232 G C 0.358 175.388 174.900 0.217 0.000 1.246 232 G CA 0.150 45.353 45.100 0.172 0.000 0.946 232 G HN 0.951 nan 8.290 nan 0.000 0.474 233 N N -0.092 118.679 118.700 0.118 0.000 2.747 233 N HA -0.177 4.562 4.740 -0.001 0.000 0.249 233 N C -0.711 174.727 175.510 -0.120 0.000 1.107 233 N CA 1.130 54.173 53.050 -0.012 0.000 0.707 233 N CB -1.212 37.223 38.487 -0.086 0.000 1.054 233 N HN 0.824 nan 8.380 nan 0.000 0.555 234 H N -0.778 118.236 119.070 -0.094 0.000 2.877 234 H HA 0.435 4.990 4.556 -0.002 0.000 0.347 234 H C -0.436 174.897 175.328 0.009 0.000 1.042 234 H CA -0.562 55.456 56.048 -0.051 0.000 1.276 234 H CB 1.274 31.013 29.762 -0.039 0.000 1.681 234 H HN 0.078 nan 8.280 nan 0.000 0.521 235 Q N 1.942 121.815 119.800 0.121 0.000 2.221 235 Q HA 0.591 4.930 4.340 -0.001 0.000 0.242 235 Q C -1.161 174.971 176.000 0.219 0.000 0.940 235 Q CA -0.677 55.220 55.803 0.157 0.000 0.896 235 Q CB 1.010 29.826 28.738 0.130 0.000 1.226 235 Q HN 0.589 nan 8.270 nan 0.000 0.463 236 L N 2.757 124.103 121.223 0.204 0.000 2.346 236 L HA 0.507 4.847 4.340 -0.001 0.000 0.276 236 L C -1.072 175.776 176.870 -0.037 0.000 1.006 236 L CA -1.194 53.703 54.840 0.096 0.000 0.817 236 L CB 1.402 43.496 42.059 0.058 0.000 1.272 236 L HN 0.480 nan 8.230 nan 0.000 0.421 237 L N 3.848 124.947 121.223 -0.207 0.000 2.265 237 L HA 0.441 4.780 4.340 -0.001 0.000 0.289 237 L C -0.373 176.238 176.870 -0.432 0.000 1.033 237 L CA -0.200 54.339 54.840 -0.501 0.000 0.814 237 L CB 1.552 43.276 42.059 -0.560 0.000 1.203 237 L HN 0.292 nan 8.230 nan 0.000 0.423 238 V N 6.506 126.072 119.914 -0.579 0.000 2.455 238 V HA 0.172 4.291 4.120 -0.001 0.000 0.273 238 V C 0.922 176.780 176.094 -0.393 0.000 1.045 238 V CA 0.433 62.423 62.300 -0.518 0.000 0.976 238 V CB 1.058 32.348 31.823 -0.887 0.000 0.993 238 V HN 0.749 nan 8.190 nan 0.000 0.475 239 V N 1.040 120.780 119.914 -0.289 0.000 3.497 239 V HA 0.488 4.607 4.120 -0.001 0.000 0.272 239 V C 0.374 176.462 176.094 -0.010 0.000 1.474 239 V CA 0.225 62.375 62.300 -0.250 0.000 1.025 239 V CB 0.509 31.905 31.823 -0.711 0.000 0.820 239 V HN 0.752 nan 8.190 nan 0.000 0.437 240 E N 0.668 120.865 120.200 -0.005 0.000 2.367 240 E HA 0.775 5.124 4.350 -0.001 0.000 0.273 240 E C -1.582 175.015 176.600 -0.004 0.000 0.903 240 E CA -0.280 56.138 56.400 0.031 0.000 0.764 240 E CB 2.614 32.309 29.700 -0.007 0.000 1.252 240 E HN 0.517 nan 8.360 nan 0.000 0.446 241 A N 3.022 125.781 122.820 -0.103 0.000 2.456 241 A HA 0.460 4.780 4.320 -0.001 0.000 0.288 241 A C -1.133 176.284 177.584 -0.278 0.000 1.042 241 A CA -0.464 51.408 52.037 -0.275 0.000 0.738 241 A CB 0.806 19.710 19.000 -0.160 0.000 1.266 241 A HN 0.717 nan 8.150 nan 0.000 0.407 242 D N 1.748 121.947 120.400 -0.335 0.000 2.697 242 D HA -0.142 4.497 4.640 -0.001 0.000 0.238 242 D C 1.305 177.515 176.300 -0.150 0.000 1.152 242 D CA 3.048 56.923 54.000 -0.208 0.000 0.666 242 D CB -1.177 39.520 40.800 -0.171 0.000 1.037 242 D HN 2.174 nan 8.370 nan 0.000 0.423 243 G N -0.997 107.628 108.800 -0.292 0.000 2.189 243 G HA2 -0.372 3.587 3.960 -0.001 0.000 0.267 243 G HA3 -0.372 3.587 3.960 -0.001 0.000 0.267 243 G C 0.350 175.097 174.900 -0.255 0.000 0.975 243 G CA 0.557 45.498 45.100 -0.264 0.000 0.644 243 G HN 0.547 nan 8.290 nan 0.000 0.537 244 N N -0.751 117.795 118.700 -0.258 0.000 2.362 244 N HA 0.622 5.361 4.740 -0.001 0.000 0.299 244 N C -0.947 174.429 175.510 -0.223 0.000 1.170 244 N CA -0.456 52.444 53.050 -0.250 0.000 0.825 244 N CB 1.085 39.500 38.487 -0.119 0.000 1.299 244 N HN 0.098 nan 8.380 nan 0.000 0.502 245 Y N -0.203 120.137 120.300 0.066 0.000 2.334 245 Y HA 0.401 4.950 4.550 -0.001 0.000 0.328 245 Y C 0.783 176.742 175.900 0.098 0.000 1.130 245 Y CA -0.822 57.340 58.100 0.104 0.000 1.163 245 Y CB 1.068 39.619 38.460 0.151 0.000 1.207 245 Y HN 0.146 nan 8.280 nan 0.000 0.471 246 V N -0.343 119.731 119.914 0.267 0.000 3.019 246 V HA 0.465 4.584 4.120 -0.001 0.000 0.317 246 V C -0.402 175.808 176.094 0.193 0.000 1.094 246 V CA -1.484 60.943 62.300 0.210 0.000 1.000 246 V CB 1.741 33.688 31.823 0.206 0.000 1.060 246 V HN 0.798 nan 8.190 nan 0.000 0.443 247 Q N 2.090 122.007 119.800 0.195 0.000 2.276 247 Q HA 0.267 4.606 4.340 -0.001 0.000 0.267 247 Q C -2.304 173.823 176.000 0.211 0.000 1.135 247 Q CA -1.359 54.550 55.803 0.177 0.000 0.910 247 Q CB 0.548 29.386 28.738 0.165 0.000 1.271 247 Q HN 0.642 nan 8.270 nan 0.000 0.417 248 P HA 0.026 nan 4.420 nan 0.000 0.267 248 P C -1.141 176.227 177.300 0.114 0.000 1.200 248 P CA 0.345 63.450 63.100 0.008 0.000 0.772 248 P CB 0.256 31.916 31.700 -0.066 0.000 0.855 249 F N -0.565 119.321 119.950 -0.106 0.000 2.741 249 F HA 0.611 5.137 4.527 -0.001 0.000 0.313 249 F C -1.778 173.929 175.800 -0.154 0.000 1.153 249 F CA -1.365 56.596 58.000 -0.066 0.000 0.931 249 F CB 0.700 39.719 39.000 0.031 0.000 1.335 249 F HN 0.120 nan 8.300 nan 0.000 0.460 250 Y N 0.105 120.593 120.300 0.314 0.000 2.420 250 Y HA 0.701 5.250 4.550 -0.001 0.000 0.334 250 Y C 0.312 176.388 175.900 0.293 0.000 1.094 250 Y CA -0.490 57.718 58.100 0.181 0.000 1.126 250 Y CB 2.157 40.693 38.460 0.126 0.000 1.217 250 Y HN 0.909 nan 8.280 nan 0.000 0.462 251 T N -0.308 114.465 114.554 0.364 0.000 2.885 251 T HA 0.225 4.575 4.350 -0.001 0.000 0.322 251 T C 0.343 175.150 174.700 0.179 0.000 1.387 251 T CA -0.196 62.085 62.100 0.301 0.000 1.041 251 T CB 0.711 69.820 68.868 0.402 0.000 1.287 251 T HN 0.635 nan 8.240 nan 0.000 0.491 252 S N 1.793 117.564 115.700 0.118 0.000 2.489 252 S HA 0.208 4.677 4.470 -0.001 0.000 0.228 252 S C 0.177 174.787 174.600 0.017 0.000 0.995 252 S CA 0.859 59.095 58.200 0.060 0.000 0.934 252 S CB -0.640 62.578 63.200 0.031 0.000 0.771 252 S HN 0.905 nan 8.310 nan 0.000 0.522 253 D N -0.223 120.170 120.400 -0.011 0.000 2.685 253 D HA 0.494 5.133 4.640 -0.001 0.000 0.236 253 D C -0.828 175.337 176.300 -0.226 0.000 1.233 253 D CA -0.931 53.019 54.000 -0.084 0.000 0.760 253 D CB 0.622 41.351 40.800 -0.117 0.000 1.410 253 D HN 0.334 nan 8.370 nan 0.000 0.439 254 I N -2.291 118.107 120.570 -0.288 0.000 2.693 254 I HA 0.702 4.871 4.170 -0.001 0.000 0.303 254 I C -1.129 174.615 176.117 -0.622 0.000 1.025 254 I CA -0.938 59.931 61.300 -0.718 0.000 1.086 254 I CB 2.023 39.667 38.000 -0.595 0.000 1.268 254 I HN 0.160 nan 8.210 nan 0.000 0.440 255 D N 4.824 124.712 120.400 -0.853 0.000 2.177 255 D HA 0.556 5.196 4.640 -0.001 0.000 0.247 255 D C -0.836 175.239 176.300 -0.375 0.000 1.063 255 D CA 0.068 53.774 54.000 -0.490 0.000 0.867 255 D CB 2.936 43.522 40.800 -0.358 0.000 1.168 255 D HN 0.566 nan 8.370 nan 0.000 0.445 256 I N 2.120 122.472 120.570 -0.363 0.000 2.533 256 I HA 0.295 4.464 4.170 -0.001 0.000 0.290 256 I C -1.422 174.532 176.117 -0.271 0.000 1.056 256 I CA -0.702 60.514 61.300 -0.140 0.000 1.057 256 I CB 1.181 39.164 38.000 -0.028 0.000 1.240 256 I HN 0.194 nan 8.210 nan 0.000 0.423 257 Y N 3.940 124.319 120.300 0.132 0.000 2.534 257 Y HA 0.372 4.921 4.550 -0.001 0.000 0.329 257 Y C 0.806 176.723 175.900 0.030 0.000 1.154 257 Y CA -0.361 57.787 58.100 0.080 0.000 1.192 257 Y CB 1.466 39.989 38.460 0.106 0.000 1.275 257 Y HN 0.444 nan 8.280 nan 0.000 0.491 258 S N 0.327 116.132 115.700 0.174 0.000 2.549 258 S HA 0.351 4.820 4.470 -0.001 0.000 0.286 258 S C 1.040 175.599 174.600 -0.069 0.000 1.314 258 S CA 0.961 59.205 58.200 0.072 0.000 1.062 258 S CB -0.362 62.950 63.200 0.186 0.000 0.865 258 S HN 1.153 nan 8.310 nan 0.000 0.498 259 G N 3.429 112.067 108.800 -0.271 0.000 2.217 259 G HA2 -0.192 3.767 3.960 -0.001 0.000 0.246 259 G HA3 -0.192 3.767 3.960 -0.001 0.000 0.246 259 G C -0.090 174.795 174.900 -0.024 0.000 0.990 259 G CA 0.254 45.084 45.100 -0.449 0.000 0.627 259 G HN 0.683 nan 8.290 nan 0.000 0.522 260 E N 0.722 120.935 120.200 0.022 0.000 2.318 260 E HA 0.591 4.940 4.350 -0.001 0.000 0.265 260 E C 0.178 176.760 176.600 -0.031 0.000 1.069 260 E CA 0.252 56.666 56.400 0.024 0.000 0.893 260 E CB 1.295 31.071 29.700 0.127 0.000 1.076 260 E HN 0.543 nan 8.360 nan 0.000 0.414 261 S N 0.964 116.551 115.700 -0.189 0.000 2.546 261 S HA 0.655 5.125 4.470 -0.001 0.000 0.274 261 S C -1.340 172.998 174.600 -0.436 0.000 1.121 261 S CA -0.864 57.226 58.200 -0.184 0.000 0.887 261 S CB 0.871 64.008 63.200 -0.104 0.000 1.094 261 S HN 0.453 nan 8.310 nan 0.000 0.474 262 Y N -0.447 119.778 120.300 -0.126 0.000 2.597 262 Y HA 0.698 5.248 4.550 -0.001 0.000 0.340 262 Y C -0.087 175.698 175.900 -0.193 0.000 1.097 262 Y CA -0.717 57.306 58.100 -0.128 0.000 1.037 262 Y CB 2.622 41.021 38.460 -0.102 0.000 1.305 262 Y HN 0.788 nan 8.280 nan 0.000 0.463 263 S N 0.986 116.680 115.700 -0.009 0.000 2.521 263 S HA 0.774 5.243 4.470 -0.001 0.000 0.295 263 S C -1.585 172.919 174.600 -0.160 0.000 1.098 263 S CA -0.684 57.438 58.200 -0.131 0.000 0.999 263 S CB 1.919 65.033 63.200 -0.143 0.000 1.034 263 S HN 0.383 nan 8.310 nan 0.000 0.483 264 V N 3.897 123.684 119.914 -0.211 0.000 2.709 264 V HA 0.588 4.707 4.120 -0.001 0.000 0.308 264 V C -1.485 174.484 176.094 -0.207 0.000 1.062 264 V CA -0.655 61.520 62.300 -0.209 0.000 0.901 264 V CB 1.909 33.631 31.823 -0.168 0.000 1.003 264 V HN 0.714 nan 8.190 nan 0.000 0.425 265 L N 6.251 127.352 121.223 -0.203 0.000 2.331 265 L HA 0.703 5.042 4.340 -0.001 0.000 0.275 265 L C -0.219 176.644 176.870 -0.012 0.000 1.022 265 L CA -0.045 54.717 54.840 -0.130 0.000 0.812 265 L CB 1.707 43.675 42.059 -0.152 0.000 1.257 265 L HN 0.634 nan 8.230 nan 0.000 0.435 266 I N -1.971 118.645 120.570 0.077 0.000 2.828 266 I HA 0.771 4.940 4.170 -0.001 0.000 0.302 266 I C -0.703 175.535 176.117 0.203 0.000 1.101 266 I CA -0.469 60.928 61.300 0.161 0.000 1.031 266 I CB 2.454 40.569 38.000 0.192 0.000 1.231 266 I HN 0.383 nan 8.210 nan 0.000 0.427 267 T N 1.363 116.045 114.554 0.213 0.000 2.824 267 T HA 0.341 4.690 4.350 -0.001 0.000 0.282 267 T C 0.240 175.070 174.700 0.217 0.000 0.993 267 T CA -0.541 61.672 62.100 0.187 0.000 0.967 267 T CB 1.375 70.323 68.868 0.133 0.000 0.960 267 T HN 0.798 nan 8.240 nan 0.000 0.441 268 T N 0.444 115.124 114.554 0.210 0.000 4.475 268 T HA 0.109 4.458 4.350 -0.001 0.000 0.254 268 T C 0.641 175.474 174.700 0.220 0.000 1.160 268 T CA -0.545 61.694 62.100 0.231 0.000 1.091 268 T CB -0.287 68.533 68.868 -0.079 0.000 1.377 268 T HN 0.470 nan 8.240 nan 0.000 1.057 269 D N 0.757 121.231 120.400 0.125 0.000 2.137 269 D HA -0.052 4.587 4.640 -0.001 0.000 0.202 269 D C 1.122 177.455 176.300 0.056 0.000 0.970 269 D CA 0.645 54.680 54.000 0.058 0.000 0.837 269 D CB 0.159 40.943 40.800 -0.027 0.000 0.981 269 D HN 0.507 nan 8.370 nan 0.000 0.475 270 Q N 1.517 121.293 119.800 -0.040 0.000 2.540 270 Q HA -0.024 4.316 4.340 -0.001 0.000 0.256 270 Q C 0.512 176.549 176.000 0.062 0.000 1.084 270 Q CA -0.157 55.590 55.803 -0.093 0.000 0.956 270 Q CB 0.042 28.529 28.738 -0.418 0.000 1.303 270 Q HN 0.119 nan 8.270 nan 0.000 0.509 271 N N 2.285 121.019 118.700 0.056 0.000 2.142 271 N HA -0.110 4.630 4.740 -0.001 0.000 0.282 271 N C -1.991 173.549 175.510 0.049 0.000 1.342 271 N CA -0.440 52.653 53.050 0.071 0.000 0.831 271 N CB 0.461 38.984 38.487 0.060 0.000 1.083 271 N HN 0.202 nan 8.380 nan 0.000 0.492 272 P HA 0.097 nan 4.420 nan 0.000 0.249 272 P C 0.147 177.515 177.300 0.113 0.000 1.229 272 P CA 0.436 63.673 63.100 0.228 0.000 0.788 272 P CB 0.276 32.132 31.700 0.260 0.000 1.072 273 S N -0.443 115.270 115.700 0.023 0.000 2.634 273 S HA 0.089 4.558 4.470 -0.001 0.000 0.221 273 S C 0.548 175.097 174.600 -0.085 0.000 0.952 273 S CA -0.140 58.055 58.200 -0.009 0.000 0.930 273 S CB -0.624 62.571 63.200 -0.009 0.000 0.780 273 S HN 0.377 nan 8.310 nan 0.000 0.498 274 E N 0.150 120.241 120.200 -0.181 0.000 2.454 274 E HA 0.410 4.760 4.350 -0.001 0.000 0.279 274 E C -1.685 174.611 176.600 -0.508 0.000 1.029 274 E CA -1.148 55.051 56.400 -0.335 0.000 0.831 274 E CB 0.714 30.162 29.700 -0.419 0.000 1.405 274 E HN -0.108 nan 8.360 nan 0.000 0.463 275 N N -0.201 118.158 118.700 -0.568 0.000 2.472 275 N HA 0.436 5.175 4.740 -0.001 0.000 0.289 275 N C -1.386 173.584 175.510 -0.900 0.000 1.156 275 N CA -0.265 52.466 53.050 -0.531 0.000 0.940 275 N CB 0.942 39.204 38.487 -0.375 0.000 1.200 275 N HN 0.372 nan 8.380 nan 0.000 0.511 276 Y N -0.942 119.181 120.300 -0.295 0.000 2.536 276 Y HA 0.379 4.928 4.550 -0.001 0.000 0.347 276 Y C -0.439 175.279 175.900 -0.304 0.000 1.000 276 Y CA -0.839 57.100 58.100 -0.269 0.000 1.051 276 Y CB 1.362 39.751 38.460 -0.119 0.000 1.259 276 Y HN 0.415 nan 8.280 nan 0.000 0.468 277 W N 1.549 122.861 121.300 0.020 0.000 2.315 277 W HA 0.602 5.262 4.660 -0.001 0.000 0.316 277 W C -0.885 175.558 176.519 -0.127 0.000 1.211 277 W CA -0.629 56.670 57.345 -0.076 0.000 1.201 277 W CB 1.002 30.393 29.460 -0.116 0.000 1.184 277 W HN 0.071 nan 8.180 nan 0.000 0.544 278 V N 3.345 123.333 119.914 0.123 0.000 2.394 278 V HA 0.456 4.575 4.120 -0.001 0.000 0.282 278 V C -0.184 175.841 176.094 -0.115 0.000 1.031 278 V CA -0.584 61.651 62.300 -0.109 0.000 0.881 278 V CB 1.336 33.062 31.823 -0.162 0.000 0.982 278 V HN 0.494 nan 8.190 nan 0.000 0.451 279 S N 3.794 119.347 115.700 -0.246 0.000 2.571 279 S HA 0.740 5.209 4.470 -0.001 0.000 0.284 279 S C -1.153 173.311 174.600 -0.226 0.000 1.128 279 S CA -0.447 57.630 58.200 -0.205 0.000 0.970 279 S CB 1.729 64.809 63.200 -0.200 0.000 1.039 279 S HN 0.437 nan 8.310 nan 0.000 0.485 280 V N 4.422 124.259 119.914 -0.129 0.000 2.385 280 V HA 0.675 4.794 4.120 -0.001 0.000 0.277 280 V C 0.665 176.711 176.094 -0.081 0.000 1.012 280 V CA -0.300 61.964 62.300 -0.061 0.000 0.832 280 V CB 0.988 32.825 31.823 0.023 0.000 1.028 280 V HN 0.926 nan 8.190 nan 0.000 0.436 281 G N 2.291 111.036 108.800 -0.091 0.000 2.489 281 G HA2 0.605 4.565 3.960 -0.001 0.000 0.327 281 G HA3 0.605 4.565 3.960 -0.001 0.000 0.327 281 G C -0.354 174.501 174.900 -0.075 0.000 1.189 281 G CA -0.523 44.523 45.100 -0.090 0.000 0.962 281 G HN 0.440 nan 8.290 nan 0.000 0.486 282 T N 1.466 115.978 114.554 -0.069 0.000 2.869 282 T HA 0.485 4.834 4.350 -0.001 0.000 0.295 282 T C 0.246 174.949 174.700 0.005 0.000 0.987 282 T CA 0.030 62.101 62.100 -0.047 0.000 1.109 282 T CB 0.658 69.480 68.868 -0.076 0.000 0.932 282 T HN 0.361 nan 8.240 nan 0.000 0.518 283 R N 0.942 121.467 120.500 0.041 0.000 2.855 283 R HA 0.667 5.006 4.340 -0.001 0.000 0.266 283 R C 0.528 176.962 176.300 0.224 0.000 1.034 283 R CA -0.486 55.690 56.100 0.127 0.000 0.944 283 R CB 1.368 31.695 30.300 0.045 0.000 1.219 283 R HN 0.721 nan 8.270 nan 0.000 0.474 284 A N 0.350 123.380 122.820 0.349 0.000 3.396 284 A HA -0.263 4.056 4.320 -0.001 0.000 0.267 284 A C 0.063 178.020 177.584 0.623 0.000 1.139 284 A CA 1.909 54.266 52.037 0.533 0.000 1.115 284 A CB -0.911 18.417 19.000 0.548 0.000 1.133 284 A HN 0.652 nan 8.150 nan 0.000 0.920 285 R N -1.285 119.460 120.500 0.408 0.000 2.698 285 R HA 0.422 4.761 4.340 -0.001 0.000 0.275 285 R C -0.257 175.697 176.300 -0.577 0.000 1.001 285 R CA -0.618 55.508 56.100 0.043 0.000 0.896 285 R CB 1.075 31.402 30.300 0.046 0.000 1.218 285 R HN 0.550 nan 8.270 nan 0.000 0.462 286 H N 3.935 122.160 119.070 -1.409 0.000 3.091 286 H HA 0.089 4.644 4.556 -0.001 0.000 0.289 286 H C -2.153 172.774 175.328 -0.668 0.000 0.995 286 H CA -1.111 53.977 56.048 -1.600 0.000 1.461 286 H CB 0.707 29.820 29.762 -1.083 0.000 1.510 286 H HN 0.176 nan 8.280 nan 0.000 0.546 287 P HA 0.083 nan 4.420 nan 0.000 0.275 287 P C -0.367 176.628 177.300 -0.509 0.000 1.227 287 P CA -0.130 62.691 63.100 -0.465 0.000 0.781 287 P CB 0.576 32.111 31.700 -0.274 0.000 0.906 288 N N 0.170 118.681 118.700 -0.314 0.000 2.550 288 N HA 0.129 4.868 4.740 -0.001 0.000 0.277 288 N C -1.633 173.777 175.510 -0.167 0.000 1.595 288 N CA -0.098 52.809 53.050 -0.239 0.000 0.888 288 N CB 0.352 38.712 38.487 -0.212 0.000 1.424 288 N HN 0.150 nan 8.380 nan 0.000 0.501 289 T N 0.786 115.242 114.554 -0.164 0.000 3.071 289 T HA 0.471 4.820 4.350 -0.001 0.000 0.311 289 T C -2.772 171.852 174.700 -0.127 0.000 1.042 289 T CA -0.780 61.237 62.100 -0.139 0.000 1.028 289 T CB 2.202 70.975 68.868 -0.159 0.000 1.068 289 T HN -0.054 nan 8.240 nan 0.000 0.451 290 P HA 0.290 nan 4.420 nan 0.000 0.272 290 P C -2.354 174.882 177.300 -0.107 0.000 1.230 290 P CA -1.169 61.863 63.100 -0.114 0.000 0.788 290 P CB -0.212 31.420 31.700 -0.114 0.000 0.949 291 P HA 0.080 nan 4.420 nan 0.000 0.272 291 P C -0.058 177.180 177.300 -0.102 0.000 1.223 291 P CA 0.001 63.031 63.100 -0.116 0.000 0.784 291 P CB 0.521 32.135 31.700 -0.143 0.000 0.923 292 G N 2.037 110.787 108.800 -0.082 0.000 2.370 292 G HA2 0.526 4.485 3.960 -0.001 0.000 0.272 292 G HA3 0.526 4.485 3.960 -0.001 0.000 0.272 292 G C -0.624 174.230 174.900 -0.075 0.000 1.208 292 G CA -0.513 44.552 45.100 -0.060 0.000 0.856 292 G HN 0.403 nan 8.290 nan 0.000 0.500 293 L N 1.259 122.443 121.223 -0.065 0.000 2.370 293 L HA 0.806 5.145 4.340 -0.001 0.000 0.266 293 L C 0.244 177.119 176.870 0.008 0.000 1.002 293 L CA -0.743 54.069 54.840 -0.048 0.000 0.818 293 L CB 2.780 44.768 42.059 -0.119 0.000 1.325 293 L HN 0.631 nan 8.230 nan 0.000 0.418 294 T N 1.022 115.593 114.554 0.028 0.000 2.711 294 T HA 0.638 4.987 4.350 -0.001 0.000 0.302 294 T C -1.767 172.906 174.700 -0.044 0.000 1.373 294 T CA -0.432 61.635 62.100 -0.054 0.000 1.000 294 T CB 1.310 70.001 68.868 -0.295 0.000 1.483 294 T HN 0.352 nan 8.240 nan 0.000 0.499 295 L N 1.926 123.036 121.223 -0.188 0.000 2.342 295 L HA 0.673 5.012 4.340 -0.001 0.000 0.271 295 L C -0.909 175.858 176.870 -0.172 0.000 1.008 295 L CA -1.111 53.600 54.840 -0.215 0.000 0.818 295 L CB 1.791 43.691 42.059 -0.265 0.000 1.296 295 L HN 0.442 nan 8.230 nan 0.000 0.427 296 L N 3.846 125.033 121.223 -0.060 0.000 2.287 296 L HA 0.294 4.633 4.340 -0.001 0.000 0.280 296 L C 0.005 176.951 176.870 0.127 0.000 1.055 296 L CA 0.231 55.121 54.840 0.084 0.000 0.863 296 L CB 0.259 42.388 42.059 0.116 0.000 1.245 296 L HN 0.535 nan 8.230 nan 0.000 0.432 297 N N 3.870 122.606 118.700 0.059 0.000 2.420 297 N HA 0.059 4.798 4.740 -0.001 0.000 0.249 297 N C -1.285 174.359 175.510 0.224 0.000 1.033 297 N CA -0.484 52.621 53.050 0.092 0.000 0.944 297 N CB 0.496 38.967 38.487 -0.027 0.000 1.113 297 N HN 0.374 nan 8.380 nan 0.000 0.502 298 Y N 3.825 124.159 120.300 0.056 0.000 2.486 298 Y HA 0.210 4.760 4.550 -0.001 0.000 0.348 298 Y C 0.520 176.468 175.900 0.081 0.000 1.000 298 Y CA -0.322 57.835 58.100 0.096 0.000 1.253 298 Y CB 0.535 39.075 38.460 0.133 0.000 1.140 298 Y HN 0.341 nan 8.280 nan 0.000 0.526 299 L N 7.130 128.457 121.223 0.173 0.000 2.426 299 L HA 0.198 4.537 4.340 -0.001 0.000 0.271 299 L C -1.373 175.567 176.870 0.116 0.000 1.169 299 L CA -1.397 53.519 54.840 0.127 0.000 0.836 299 L CB 0.595 42.707 42.059 0.088 0.000 1.112 299 L HN 0.492 nan 8.230 nan 0.000 0.465 300 P HA 0.128 nan 4.420 nan 0.000 0.248 300 P C -0.655 176.680 177.300 0.058 0.000 1.708 300 P CA -0.347 62.791 63.100 0.063 0.000 1.062 300 P CB 0.171 31.897 31.700 0.043 0.000 1.562 301 N N 0.574 119.319 118.700 0.075 0.000 2.518 301 N HA 0.026 4.765 4.740 -0.001 0.000 0.266 301 N C 0.259 175.787 175.510 0.030 0.000 1.196 301 N CA 0.299 53.373 53.050 0.040 0.000 0.947 301 N CB 0.729 39.231 38.487 0.026 0.000 1.098 301 N HN 0.066 nan 8.380 nan 0.000 0.450 302 S N 0.529 116.231 115.700 0.004 0.000 2.562 302 S HA 0.017 4.487 4.470 -0.001 0.000 0.281 302 S C 1.410 176.000 174.600 -0.017 0.000 1.333 302 S CA -0.549 57.650 58.200 -0.001 0.000 1.052 302 S CB 0.671 63.863 63.200 -0.012 0.000 0.884 302 S HN 0.366 nan 8.310 nan 0.000 0.506 303 V N 4.636 124.549 119.914 -0.002 0.000 2.970 303 V HA -0.056 4.064 4.120 -0.001 0.000 0.260 303 V C 1.909 177.969 176.094 -0.057 0.000 1.100 303 V CA 2.168 64.452 62.300 -0.027 0.000 1.122 303 V CB -0.510 31.321 31.823 0.014 0.000 0.721 303 V HN 0.993 nan 8.190 nan 0.000 0.483 304 S N -1.223 114.452 115.700 -0.042 0.000 2.603 304 S HA 0.049 4.519 4.470 -0.001 0.000 0.220 304 S C 1.018 175.580 174.600 -0.064 0.000 0.967 304 S CA 0.026 58.200 58.200 -0.044 0.000 0.920 304 S CB -0.205 62.978 63.200 -0.027 0.000 0.773 304 S HN 0.572 nan 8.310 nan 0.000 0.529 305 K N 2.527 122.876 120.400 -0.085 0.000 2.292 305 K HA 0.185 4.504 4.320 -0.001 0.000 0.290 305 K C -0.627 175.875 176.600 -0.164 0.000 1.083 305 K CA -0.527 55.697 56.287 -0.104 0.000 0.918 305 K CB 0.119 32.560 32.500 -0.099 0.000 1.089 305 K HN 0.112 nan 8.250 nan 0.000 0.473 306 L N 5.638 126.781 121.223 -0.133 0.000 2.461 306 L HA 0.190 4.529 4.340 -0.001 0.000 0.272 306 L C -1.781 174.968 176.870 -0.203 0.000 1.197 306 L CA -1.832 52.914 54.840 -0.156 0.000 0.836 306 L CB -0.270 41.807 42.059 0.030 0.000 1.105 306 L HN 0.564 nan 8.230 nan 0.000 0.477 307 P HA 0.009 nan 4.420 nan 0.000 0.269 307 P C 0.705 178.006 177.300 0.002 0.000 1.205 307 P CA 0.275 63.187 63.100 -0.313 0.000 0.780 307 P CB 0.400 31.765 31.700 -0.559 0.000 0.858 308 T N -1.933 112.596 114.554 -0.041 0.000 2.942 308 T HA 0.006 4.355 4.350 -0.001 0.000 0.265 308 T C 0.739 175.520 174.700 0.136 0.000 1.062 308 T CA 0.742 62.879 62.100 0.062 0.000 1.139 308 T CB -0.133 68.733 68.868 -0.003 0.000 0.883 308 T HN 0.295 nan 8.240 nan 0.000 0.468 309 S N 2.219 117.953 115.700 0.057 0.000 2.654 309 S HA 0.469 4.939 4.470 -0.001 0.000 0.283 309 S C -2.484 171.944 174.600 -0.287 0.000 1.180 309 S CA -1.324 56.861 58.200 -0.024 0.000 1.021 309 S CB 1.251 64.454 63.200 0.006 0.000 1.018 309 S HN 0.091 nan 8.310 nan 0.000 0.532 310 P HA 0.174 nan 4.420 nan 0.000 0.270 310 P C -2.545 174.426 177.300 -0.548 0.000 1.227 310 P CA -0.935 61.555 63.100 -1.016 0.000 0.788 310 P CB -0.623 30.729 31.700 -0.580 0.000 0.926 311 P HA 0.018 nan 4.420 nan 0.000 0.266 311 P C -2.140 174.998 177.300 -0.269 0.000 1.193 311 P CA -0.428 62.330 63.100 -0.571 0.000 0.770 311 P CB -1.158 30.093 31.700 -0.749 0.000 0.836 312 P HA -0.027 nan 4.420 nan 0.000 0.264 312 P C -0.405 176.810 177.300 -0.141 0.000 1.193 312 P CA 0.404 63.433 63.100 -0.118 0.000 0.763 312 P CB 0.430 32.076 31.700 -0.090 0.000 0.810 313 Q N 1.795 121.525 119.800 -0.117 0.000 2.304 313 Q HA 0.127 4.466 4.340 -0.001 0.000 0.260 313 Q C 0.207 176.151 176.000 -0.092 0.000 0.965 313 Q CA 0.257 55.996 55.803 -0.106 0.000 0.898 313 Q CB 0.401 29.090 28.738 -0.082 0.000 1.196 313 Q HN 0.415 nan 8.270 nan 0.000 0.402 314 T N 5.164 119.663 114.554 -0.091 0.000 2.934 314 T HA 0.106 4.455 4.350 -0.001 0.000 0.306 314 T C -2.032 172.633 174.700 -0.058 0.000 1.042 314 T CA -0.815 61.238 62.100 -0.079 0.000 1.145 314 T CB -0.069 68.756 68.868 -0.071 0.000 0.982 314 T HN 0.340 nan 8.240 nan 0.000 0.544 315 P HA 0.202 nan 4.420 nan 0.000 0.267 315 P C -0.526 176.745 177.300 -0.048 0.000 1.201 315 P CA -0.370 62.692 63.100 -0.063 0.000 0.775 315 P CB 0.277 31.931 31.700 -0.077 0.000 0.854 316 A N 4.113 126.892 122.820 -0.069 0.000 2.580 316 A HA -0.064 4.256 4.320 -0.001 0.000 0.244 316 A C 1.542 179.051 177.584 -0.125 0.000 1.045 316 A CA -0.223 51.764 52.037 -0.083 0.000 0.761 316 A CB -0.611 18.289 19.000 -0.166 0.000 0.962 316 A HN 0.892 nan 8.150 nan 0.000 0.512 317 W N 3.449 124.688 121.300 -0.102 0.000 2.331 317 W HA -0.204 4.455 4.660 -0.002 0.000 0.291 317 W C 0.116 176.467 176.519 -0.280 0.000 1.214 317 W CA 1.529 58.802 57.345 -0.121 0.000 1.228 317 W CB -0.528 28.916 29.460 -0.027 0.000 1.135 317 W HN 0.771 nan 8.180 nan 0.000 0.537 318 D N 0.061 119.776 120.400 -1.141 0.000 2.424 318 D HA -0.028 4.611 4.640 -0.001 0.000 0.220 318 D C -0.325 175.379 176.300 -0.994 0.000 1.150 318 D CA -0.219 52.951 54.000 -1.384 0.000 0.831 318 D CB -0.812 38.989 40.800 -1.664 0.000 0.981 318 D HN -0.085 nan 8.370 nan 0.000 0.500 319 D N 0.407 120.401 120.400 -0.677 0.000 2.551 319 D HA 0.030 4.669 4.640 -0.001 0.000 0.223 319 D C 0.298 176.371 176.300 -0.379 0.000 1.144 319 D CA -0.568 53.187 54.000 -0.409 0.000 1.025 319 D CB -0.471 40.175 40.800 -0.256 0.000 1.085 319 D HN -0.049 nan 8.370 nan 0.000 0.506 320 F N 0.675 120.573 119.950 -0.086 0.000 2.365 320 F HA -0.074 4.452 4.527 -0.001 0.000 0.300 320 F C 1.989 177.657 175.800 -0.220 0.000 1.090 320 F CA 0.474 58.429 58.000 -0.074 0.000 1.408 320 F CB 0.023 39.013 39.000 -0.017 0.000 1.060 320 F HN 0.246 nan 8.300 nan 0.000 0.534 321 D N -0.187 120.172 120.400 -0.068 0.000 2.117 321 D HA -0.148 4.491 4.640 -0.001 0.000 0.198 321 D C 2.373 178.570 176.300 -0.171 0.000 0.982 321 D CA 0.845 54.751 54.000 -0.157 0.000 0.828 321 D CB -0.385 40.349 40.800 -0.110 0.000 0.967 321 D HN 0.209 nan 8.370 nan 0.000 0.464 322 R N 0.792 121.220 120.500 -0.120 0.000 2.096 322 R HA -0.079 4.260 4.340 -0.001 0.000 0.235 322 R C 2.120 178.396 176.300 -0.040 0.000 1.127 322 R CA 1.205 57.255 56.100 -0.083 0.000 0.968 322 R CB 0.069 30.321 30.300 -0.079 0.000 0.861 322 R HN 0.011 nan 8.270 nan 0.000 0.440 323 S N 0.829 116.517 115.700 -0.021 0.000 2.368 323 S HA -0.110 4.360 4.470 -0.001 0.000 0.225 323 S C 1.683 176.293 174.600 0.016 0.000 1.030 323 S CA 1.376 59.655 58.200 0.132 0.000 0.999 323 S CB -0.075 63.333 63.200 0.346 0.000 0.844 323 S HN 0.394 nan 8.310 nan 0.000 0.459 324 K N 1.328 121.474 120.400 -0.423 0.000 2.097 324 K HA -0.051 4.268 4.320 -0.001 0.000 0.205 324 K C 2.066 178.270 176.600 -0.660 0.000 1.050 324 K CA 1.182 56.920 56.287 -0.915 0.000 0.938 324 K CB -0.286 31.364 32.500 -1.416 0.000 0.718 324 K HN 0.303 nan 8.250 nan 0.000 0.442 325 N N 0.750 119.226 118.700 -0.374 0.000 2.037 325 N HA -0.257 4.483 4.740 -0.001 0.000 0.196 325 N C 1.660 177.127 175.510 -0.071 0.000 1.034 325 N CA 1.649 54.584 53.050 -0.191 0.000 0.861 325 N CB -0.191 38.236 38.487 -0.099 0.000 1.039 325 N HN 0.163 nan 8.380 nan 0.000 0.427 326 F N 0.774 120.675 119.950 -0.082 0.000 2.084 326 F HA -0.069 4.458 4.527 -0.001 0.000 0.296 326 F C 2.328 178.171 175.800 0.072 0.000 1.111 326 F CA 1.723 59.728 58.000 0.008 0.000 1.224 326 F CB -1.052 37.991 39.000 0.072 0.000 0.991 326 F HN -0.012 nan 8.300 nan 0.000 0.471 327 T N -0.144 114.426 114.554 0.026 0.000 2.720 327 T HA -0.232 4.117 4.350 -0.001 0.000 0.268 327 T C 1.644 176.393 174.700 0.083 0.000 1.037 327 T CA 1.763 63.901 62.100 0.065 0.000 1.144 327 T CB -0.591 68.486 68.868 0.348 0.000 0.864 327 T HN 0.280 nan 8.240 nan 0.000 0.444 328 Y N 1.551 121.734 120.300 -0.195 0.000 2.509 328 Y HA 0.136 4.685 4.550 -0.001 0.000 0.293 328 Y C 2.354 178.190 175.900 -0.107 0.000 1.133 328 Y CA -0.374 57.656 58.100 -0.117 0.000 1.283 328 Y CB -0.509 37.875 38.460 -0.127 0.000 1.001 328 Y HN 0.187 nan 8.280 nan 0.000 0.555 329 R N 0.187 120.622 120.500 -0.107 0.000 2.075 329 R HA -0.034 4.305 4.340 -0.001 0.000 0.232 329 R C 0.555 176.759 176.300 -0.160 0.000 1.126 329 R CA 0.513 56.459 56.100 -0.257 0.000 0.963 329 R CB -0.572 29.309 30.300 -0.698 0.000 0.858 329 R HN 0.208 nan 8.270 nan 0.000 0.435 330 I N 3.034 123.552 120.570 -0.087 0.000 2.845 330 I HA -0.109 4.060 4.170 -0.001 0.000 0.290 330 I C 0.246 176.450 176.117 0.145 0.000 1.202 330 I CA 0.771 62.141 61.300 0.115 0.000 1.406 330 I CB -0.063 38.037 38.000 0.166 0.000 1.383 330 I HN 0.206 nan 8.210 nan 0.000 0.549 331 T N 3.103 117.754 114.554 0.162 0.000 2.906 331 T HA 0.749 5.098 4.350 -0.001 0.000 0.295 331 T C -0.140 174.663 174.700 0.172 0.000 1.061 331 T CA -1.040 61.151 62.100 0.151 0.000 1.000 331 T CB 1.808 70.745 68.868 0.115 0.000 1.103 331 T HN 0.594 nan 8.240 nan 0.000 0.486 332 A N 1.372 124.295 122.820 0.171 0.000 2.425 332 A HA 0.684 5.003 4.320 -0.001 0.000 0.242 332 A C 0.876 178.560 177.584 0.167 0.000 1.077 332 A CA -0.281 51.862 52.037 0.178 0.000 0.781 332 A CB -0.582 18.536 19.000 0.198 0.000 1.020 332 A HN 1.468 nan 8.150 nan 0.000 0.494 333 A N 2.215 125.143 122.820 0.180 0.000 2.445 333 A HA 0.496 4.815 4.320 -0.001 0.000 0.242 333 A C 0.701 178.362 177.584 0.129 0.000 1.075 333 A CA 0.114 52.246 52.037 0.159 0.000 0.777 333 A CB -0.287 18.821 19.000 0.179 0.000 1.013 333 A HN 1.385 nan 8.150 nan 0.000 0.493 334 M N 1.552 121.212 119.600 0.100 0.000 2.239 334 M HA 0.497 4.976 4.480 -0.001 0.000 0.348 334 M C 0.803 177.149 176.300 0.076 0.000 1.239 334 M CA 1.121 56.471 55.300 0.083 0.000 1.114 334 M CB 0.254 32.893 32.600 0.065 0.000 1.641 334 M HN 1.740 nan 8.290 nan 0.000 0.453 335 G N 1.917 110.764 108.800 0.078 0.000 2.238 335 G HA2 -0.188 3.771 3.960 -0.001 0.000 0.217 335 G HA3 -0.188 3.771 3.960 -0.001 0.000 0.217 335 G C 0.122 175.083 174.900 0.102 0.000 0.996 335 G CA 0.066 45.211 45.100 0.075 0.000 0.632 335 G HN 0.831 nan 8.290 nan 0.000 0.503 336 S N 2.362 118.140 115.700 0.130 0.000 2.572 336 S HA 0.463 4.933 4.470 -0.001 0.000 0.279 336 S C -1.882 172.827 174.600 0.181 0.000 1.341 336 S CA -0.378 57.921 58.200 0.164 0.000 1.043 336 S CB 0.899 64.213 63.200 0.189 0.000 0.887 336 S HN 0.295 nan 8.310 nan 0.000 0.516 337 P HA 0.066 nan 4.420 nan 0.000 0.261 337 P C -0.391 177.119 177.300 0.350 0.000 1.183 337 P CA 0.323 63.593 63.100 0.283 0.000 0.761 337 P CB 0.297 32.207 31.700 0.350 0.000 0.785 338 K N 5.152 125.625 120.400 0.121 0.000 2.154 338 K HA 0.297 4.616 4.320 -0.001 0.000 0.264 338 K C -1.974 174.354 176.600 -0.453 0.000 1.008 338 K CA -1.700 54.533 56.287 -0.091 0.000 0.937 338 K CB 0.153 32.604 32.500 -0.081 0.000 1.002 338 K HN 0.400 nan 8.250 nan 0.000 0.469 339 P HA 0.116 nan 4.420 nan 0.000 0.272 339 P C -2.597 174.314 177.300 -0.648 0.000 1.223 339 P CA -1.216 61.020 63.100 -1.441 0.000 0.784 339 P CB -0.295 30.668 31.700 -1.228 0.000 0.923 340 P HA -0.051 nan 4.420 nan 0.000 0.264 340 P C 1.065 178.234 177.300 -0.218 0.000 1.183 340 P CA 0.193 63.142 63.100 -0.251 0.000 0.763 340 P CB 0.214 31.809 31.700 -0.174 0.000 0.807 341 V N 2.442 122.264 119.914 -0.154 0.000 2.649 341 V HA -0.060 4.060 4.120 -0.001 0.000 0.248 341 V C 1.156 177.192 176.094 -0.096 0.000 1.054 341 V CA 1.430 63.659 62.300 -0.119 0.000 1.073 341 V CB -0.669 31.096 31.823 -0.096 0.000 0.699 341 V HN 0.485 nan 8.190 nan 0.000 0.463 342 K N 0.505 120.836 120.400 -0.116 0.000 2.156 342 K HA 0.484 4.804 4.320 -0.001 0.000 0.254 342 K C -0.803 175.722 176.600 -0.125 0.000 0.950 342 K CA -0.716 55.470 56.287 -0.168 0.000 0.849 342 K CB 1.619 34.003 32.500 -0.193 0.000 1.100 342 K HN 0.219 nan 8.250 nan 0.000 0.434 343 F N 0.862 120.738 119.950 -0.123 0.000 2.497 343 F HA 0.445 4.972 4.527 -0.001 0.000 0.331 343 F C 0.191 175.910 175.800 -0.135 0.000 1.060 343 F CA -0.826 57.081 58.000 -0.155 0.000 0.989 343 F CB 0.797 39.690 39.000 -0.179 0.000 1.245 343 F HN 0.544 nan 8.300 nan 0.000 0.486 344 N N -0.657 118.112 118.700 0.115 0.000 2.294 344 N HA 0.180 4.919 4.740 -0.001 0.000 0.186 344 N C -0.585 175.016 175.510 0.151 0.000 1.107 344 N CA -0.292 52.785 53.050 0.046 0.000 0.884 344 N CB 0.467 38.938 38.487 -0.027 0.000 1.030 344 N HN 0.523 nan 8.380 nan 0.000 0.482 345 R N 0.805 121.413 120.500 0.179 0.000 2.626 345 R HA 0.420 4.760 4.340 -0.001 0.000 0.274 345 R C -1.916 174.230 176.300 -0.257 0.000 1.031 345 R CA -0.729 55.377 56.100 0.009 0.000 0.898 345 R CB 1.353 31.591 30.300 -0.103 0.000 1.222 345 R HN -0.066 nan 8.270 nan 0.000 0.455 346 R N 4.943 125.246 120.500 -0.328 0.000 2.514 346 R HA 0.521 4.860 4.340 -0.001 0.000 0.296 346 R C -1.216 174.765 176.300 -0.532 0.000 1.012 346 R CA -0.478 55.226 56.100 -0.659 0.000 0.897 346 R CB 1.017 30.782 30.300 -0.891 0.000 1.184 346 R HN 0.645 nan 8.270 nan 0.000 0.440 347 I N 4.114 124.315 120.570 -0.616 0.000 2.603 347 I HA 0.458 4.627 4.170 -0.001 0.000 0.300 347 I C -0.921 174.787 176.117 -0.682 0.000 1.017 347 I CA -0.970 60.079 61.300 -0.417 0.000 1.098 347 I CB 1.799 39.657 38.000 -0.238 0.000 1.279 347 I HN 0.479 nan 8.210 nan 0.000 0.437 348 F N 5.306 125.233 119.950 -0.037 0.000 2.477 348 F HA 0.516 5.042 4.527 -0.001 0.000 0.335 348 F C -0.423 175.473 175.800 0.160 0.000 1.130 348 F CA -0.510 57.515 58.000 0.042 0.000 0.948 348 F CB 1.381 40.396 39.000 0.025 0.000 1.154 348 F HN 0.058 nan 8.300 nan 0.000 0.439 349 L N 5.353 126.694 121.223 0.198 0.000 2.318 349 L HA 0.408 4.747 4.340 -0.001 0.000 0.277 349 L C -0.869 175.978 176.870 -0.039 0.000 1.008 349 L CA -0.865 54.017 54.840 0.069 0.000 0.846 349 L CB 1.550 43.528 42.059 -0.135 0.000 1.220 349 L HN 0.461 nan 8.230 nan 0.000 0.423 350 L N 4.725 125.883 121.223 -0.110 0.000 2.313 350 L HA 0.243 4.582 4.340 -0.001 0.000 0.282 350 L C 0.116 176.876 176.870 -0.185 0.000 1.092 350 L CA 0.423 55.018 54.840 -0.408 0.000 0.831 350 L CB 0.321 41.934 42.059 -0.743 0.000 1.159 350 L HN 0.486 nan 8.230 nan 0.000 0.442 351 N N 4.103 122.727 118.700 -0.126 0.000 2.462 351 N HA 0.303 5.042 4.740 -0.001 0.000 0.242 351 N C -0.789 174.772 175.510 0.086 0.000 1.010 351 N CA -0.178 52.893 53.050 0.035 0.000 0.939 351 N CB 0.841 39.363 38.487 0.059 0.000 1.127 351 N HN 0.700 nan 8.380 nan 0.000 0.509 352 T N -0.925 113.700 114.554 0.118 0.000 2.916 352 T HA 0.297 4.647 4.350 -0.001 0.000 0.292 352 T C -0.463 174.138 174.700 -0.164 0.000 1.055 352 T CA -0.907 61.217 62.100 0.039 0.000 1.009 352 T CB 2.590 71.442 68.868 -0.027 0.000 1.118 352 T HN 0.310 nan 8.240 nan 0.000 0.497 353 Q N 1.120 120.602 119.800 -0.531 0.000 2.307 353 Q HA 0.490 4.829 4.340 -0.001 0.000 0.262 353 Q C -1.101 174.607 176.000 -0.486 0.000 0.961 353 Q CA -0.534 54.626 55.803 -1.073 0.000 0.882 353 Q CB 0.794 28.710 28.738 -1.369 0.000 1.264 353 Q HN 0.770 nan 8.270 nan 0.000 0.446 354 N N 0.928 119.399 118.700 -0.381 0.000 2.629 354 N HA 0.563 5.302 4.740 -0.001 0.000 0.279 354 N C -1.769 173.659 175.510 -0.137 0.000 1.344 354 N CA -0.674 52.268 53.050 -0.179 0.000 0.789 354 N CB 2.188 40.622 38.487 -0.088 0.000 1.508 354 N HN 0.221 nan 8.380 nan 0.000 0.516 355 V N 1.653 121.527 119.914 -0.068 0.000 2.325 355 V HA 0.420 4.539 4.120 -0.001 0.000 0.280 355 V C -0.795 175.303 176.094 0.006 0.000 1.016 355 V CA -0.411 61.868 62.300 -0.035 0.000 0.818 355 V CB 0.283 32.079 31.823 -0.045 0.000 1.019 355 V HN 0.499 nan 8.190 nan 0.000 0.434 356 I N 4.216 124.818 120.570 0.053 0.000 2.328 356 I HA 0.364 4.533 4.170 -0.001 0.000 0.287 356 I C 0.837 177.045 176.117 0.152 0.000 1.012 356 I CA -0.374 60.976 61.300 0.083 0.000 1.195 356 I CB 0.859 38.908 38.000 0.082 0.000 1.350 356 I HN 0.844 nan 8.210 nan 0.000 0.464 357 N N 5.237 123.993 118.700 0.094 0.000 2.714 357 N HA -0.222 4.517 4.740 -0.001 0.000 0.253 357 N C 1.007 176.494 175.510 -0.038 0.000 1.024 357 N CA 0.506 53.608 53.050 0.087 0.000 0.726 357 N CB -0.433 38.167 38.487 0.188 0.000 0.908 357 N HN 1.157 nan 8.380 nan 0.000 0.542 358 G N -1.397 107.343 108.800 -0.100 0.000 2.257 358 G HA2 -0.375 3.584 3.960 -0.001 0.000 0.267 358 G HA3 -0.375 3.584 3.960 -0.001 0.000 0.267 358 G C -0.108 174.594 174.900 -0.329 0.000 0.984 358 G CA 0.873 45.831 45.100 -0.236 0.000 0.626 358 G HN 0.557 nan 8.290 nan 0.000 0.540 359 Y N -0.044 120.253 120.300 -0.004 0.000 2.308 359 Y HA 0.516 5.066 4.550 -0.001 0.000 0.329 359 Y C 0.849 176.737 175.900 -0.021 0.000 1.111 359 Y CA -0.814 57.285 58.100 -0.001 0.000 1.179 359 Y CB 1.649 40.114 38.460 0.007 0.000 1.201 359 Y HN 0.019 nan 8.280 nan 0.000 0.483 360 V N 5.798 125.783 119.914 0.119 0.000 2.405 360 V HA 0.181 4.300 4.120 -0.001 0.000 0.264 360 V C 0.052 176.153 176.094 0.012 0.000 1.048 360 V CA -0.454 61.851 62.300 0.009 0.000 0.966 360 V CB -0.055 31.761 31.823 -0.013 0.000 1.015 360 V HN 0.612 nan 8.190 nan 0.000 0.477 361 K N 3.306 123.669 120.400 -0.062 0.000 2.306 361 K HA 0.502 4.821 4.320 -0.001 0.000 0.236 361 K C -1.046 175.441 176.600 -0.188 0.000 1.013 361 K CA -0.641 55.626 56.287 -0.033 0.000 0.857 361 K CB 2.281 34.793 32.500 0.019 0.000 1.214 361 K HN 0.531 nan 8.250 nan 0.000 0.449 362 W N 0.024 121.315 121.300 -0.016 0.000 2.570 362 W HA 0.593 5.252 4.660 -0.001 0.000 0.337 362 W C -0.287 176.222 176.519 -0.016 0.000 1.067 362 W CA -0.260 57.054 57.345 -0.050 0.000 1.229 362 W CB 1.937 31.340 29.460 -0.094 0.000 1.355 362 W HN 0.618 nan 8.180 nan 0.000 0.555 363 A N 3.382 126.336 122.820 0.224 0.000 2.539 363 A HA 0.805 5.124 4.320 -0.001 0.000 0.296 363 A C -1.775 175.908 177.584 0.164 0.000 1.073 363 A CA -0.678 51.453 52.037 0.156 0.000 0.700 363 A CB 1.259 20.309 19.000 0.084 0.000 1.296 363 A HN 0.400 nan 8.150 nan 0.000 0.405 364 I N 2.285 122.951 120.570 0.160 0.000 2.411 364 I HA 0.309 4.478 4.170 -0.001 0.000 0.284 364 I C -0.328 175.875 176.117 0.143 0.000 1.012 364 I CA -0.429 60.964 61.300 0.154 0.000 1.119 364 I CB 0.577 38.707 38.000 0.217 0.000 1.261 364 I HN 0.720 nan 8.210 nan 0.000 0.448 365 N N 4.778 123.535 118.700 0.095 0.000 2.725 365 N HA -0.220 4.519 4.740 -0.001 0.000 0.251 365 N C 0.216 175.797 175.510 0.119 0.000 1.031 365 N CA 1.057 54.182 53.050 0.126 0.000 0.720 365 N CB -0.847 37.767 38.487 0.213 0.000 0.930 365 N HN 0.662 nan 8.380 nan 0.000 0.543 366 D N -3.024 117.428 120.400 0.087 0.000 3.077 366 D HA -0.174 4.465 4.640 -0.001 0.000 0.217 366 D C -0.512 175.840 176.300 0.087 0.000 1.162 366 D CA 1.241 55.292 54.000 0.085 0.000 0.943 366 D CB -0.873 39.984 40.800 0.094 0.000 1.122 366 D HN 0.360 nan 8.370 nan 0.000 0.413 367 V N 0.262 120.237 119.914 0.101 0.000 2.459 367 V HA 0.520 4.639 4.120 -0.001 0.000 0.295 367 V C 0.362 176.518 176.094 0.104 0.000 1.029 367 V CA -0.622 61.734 62.300 0.094 0.000 0.874 367 V CB 2.071 33.950 31.823 0.094 0.000 0.985 367 V HN 0.083 nan 8.190 nan 0.000 0.438 368 S N 4.198 119.949 115.700 0.085 0.000 2.442 368 S HA 0.567 5.036 4.470 -0.001 0.000 0.297 368 S C -0.638 174.006 174.600 0.074 0.000 1.131 368 S CA -0.547 57.705 58.200 0.086 0.000 1.092 368 S CB 0.799 64.037 63.200 0.064 0.000 0.998 368 S HN 0.597 nan 8.310 nan 0.000 0.478 369 L N 5.589 126.861 121.223 0.082 0.000 2.410 369 L HA 0.588 4.927 4.340 -0.001 0.000 0.273 369 L C 0.009 176.902 176.870 0.040 0.000 1.144 369 L CA 0.397 55.282 54.840 0.075 0.000 0.863 369 L CB 0.484 42.595 42.059 0.087 0.000 1.140 369 L HN 0.710 nan 8.230 nan 0.000 0.463 370 A N 6.790 129.634 122.820 0.040 0.000 2.273 370 A HA 0.559 4.878 4.320 -0.001 0.000 0.315 370 A C -0.660 176.938 177.584 0.023 0.000 1.256 370 A CA -0.641 51.400 52.037 0.006 0.000 0.851 370 A CB 0.310 19.308 19.000 -0.003 0.000 1.172 370 A HN 0.722 nan 8.150 nan 0.000 0.508 371 L N 4.771 125.995 121.223 0.002 0.000 2.367 371 L HA 0.303 4.642 4.340 -0.001 0.000 0.275 371 L C -1.446 175.381 176.870 -0.072 0.000 1.129 371 L CA -1.474 53.359 54.840 -0.012 0.000 0.839 371 L CB 0.869 42.920 42.059 -0.013 0.000 1.133 371 L HN 0.582 nan 8.230 nan 0.000 0.453 372 P HA 0.111 nan 4.420 nan 0.000 0.270 372 P C -2.242 174.975 177.300 -0.139 0.000 1.223 372 P CA -1.223 61.790 63.100 -0.145 0.000 0.785 372 P CB 0.186 31.766 31.700 -0.199 0.000 0.923 373 P HA -0.021 nan 4.420 nan 0.000 0.233 373 P C 0.143 177.402 177.300 -0.068 0.000 1.167 373 P CA 0.757 63.819 63.100 -0.063 0.000 0.770 373 P CB 0.093 31.773 31.700 -0.034 0.000 0.837 374 T N 4.027 118.529 114.554 -0.088 0.000 2.771 374 T HA 0.287 4.636 4.350 -0.001 0.000 0.291 374 T C -2.470 172.144 174.700 -0.143 0.000 0.954 374 T CA -1.493 60.566 62.100 -0.068 0.000 1.045 374 T CB 0.964 69.825 68.868 -0.011 0.000 0.917 374 T HN 0.070 nan 8.240 nan 0.000 0.484 375 P HA 0.048 nan 4.420 nan 0.000 0.266 375 P C 0.175 177.446 177.300 -0.049 0.000 1.215 375 P CA -0.176 62.880 63.100 -0.072 0.000 0.763 375 P CB 0.516 32.221 31.700 0.009 0.000 0.806 376 Y N 3.076 123.316 120.300 -0.101 0.000 2.139 376 Y HA -0.242 4.307 4.550 -0.001 0.000 0.282 376 Y C 2.417 178.245 175.900 -0.119 0.000 1.179 376 Y CA 1.636 59.610 58.100 -0.209 0.000 1.161 376 Y CB -1.168 37.102 38.460 -0.316 0.000 0.970 376 Y HN 0.240 nan 8.280 nan 0.000 0.511 377 L N -0.137 121.136 121.223 0.084 0.000 2.017 377 L HA -0.082 4.257 4.340 -0.001 0.000 0.208 377 L C 2.444 179.373 176.870 0.098 0.000 1.073 377 L CA 2.265 57.131 54.840 0.043 0.000 0.745 377 L CB -1.179 40.894 42.059 0.022 0.000 0.894 377 L HN 0.194 nan 8.230 nan 0.000 0.432 378 G N -1.284 107.602 108.800 0.143 0.000 2.402 378 G HA2 -0.213 3.746 3.960 -0.001 0.000 0.216 378 G HA3 -0.213 3.746 3.960 -0.001 0.000 0.216 378 G C 1.610 176.672 174.900 0.271 0.000 1.162 378 G CA 0.739 45.982 45.100 0.237 0.000 0.777 378 G HN 0.627 nan 8.290 nan 0.000 0.539 379 A N 0.606 123.555 122.820 0.214 0.000 1.908 379 A HA 0.002 4.321 4.320 -0.001 0.000 0.218 379 A C 2.448 180.207 177.584 0.292 0.000 1.181 379 A CA 1.890 54.092 52.037 0.275 0.000 0.627 379 A CB -0.342 18.886 19.000 0.381 0.000 0.818 379 A HN 0.392 nan 8.150 nan 0.000 0.445 380 M N -1.298 118.452 119.600 0.250 0.000 2.349 380 M HA -0.047 4.432 4.480 -0.001 0.000 0.266 380 M C 2.203 178.545 176.300 0.069 0.000 1.076 380 M CA 1.502 56.919 55.300 0.195 0.000 1.126 380 M CB -0.131 32.559 32.600 0.150 0.000 1.392 380 M HN 0.479 nan 8.290 nan 0.000 0.440 381 K N 0.181 120.579 120.400 -0.004 0.000 2.057 381 K HA -0.153 4.167 4.320 -0.001 0.000 0.206 381 K C 1.011 177.412 176.600 -0.331 0.000 1.050 381 K CA 1.473 57.634 56.287 -0.210 0.000 0.935 381 K CB 0.062 32.339 32.500 -0.371 0.000 0.715 381 K HN 0.256 nan 8.250 nan 0.000 0.439 382 Y N 0.635 120.967 120.300 0.053 0.000 2.461 382 Y HA 0.118 4.667 4.550 -0.001 0.000 0.277 382 Y C 0.163 176.080 175.900 0.028 0.000 1.182 382 Y CA 0.272 58.394 58.100 0.037 0.000 1.276 382 Y CB -0.358 38.122 38.460 0.034 0.000 1.087 382 Y HN 0.262 nan 8.280 nan 0.000 0.519 383 N N 0.492 119.259 118.700 0.111 0.000 2.738 383 N HA -0.213 4.526 4.740 -0.001 0.000 0.249 383 N C -1.335 174.188 175.510 0.021 0.000 1.047 383 N CA 0.048 53.133 53.050 0.058 0.000 0.707 383 N CB -1.118 37.383 38.487 0.025 0.000 0.937 383 N HN 0.285 nan 8.380 nan 0.000 0.545 384 L N 1.318 122.575 121.223 0.057 0.000 2.356 384 L HA 0.161 4.500 4.340 -0.001 0.000 0.282 384 L C 1.435 178.217 176.870 -0.147 0.000 1.132 384 L CA -0.428 54.400 54.840 -0.019 0.000 0.923 384 L CB 0.310 42.411 42.059 0.069 0.000 1.278 384 L HN 0.333 nan 8.230 nan 0.000 0.436 385 L N 2.363 123.395 121.223 -0.319 0.000 2.551 385 L HA -0.086 4.253 4.340 -0.001 0.000 0.228 385 L C 1.525 178.132 176.870 -0.438 0.000 1.153 385 L CA 0.450 55.035 54.840 -0.425 0.000 0.851 385 L CB -0.548 41.279 42.059 -0.387 0.000 0.959 385 L HN 0.681 nan 8.230 nan 0.000 0.451 386 H N -0.941 118.054 119.070 -0.127 0.000 2.549 386 H HA 0.321 4.877 4.556 -0.001 0.000 0.279 386 H C 1.854 177.136 175.328 -0.077 0.000 1.018 386 H CA 0.461 56.449 56.048 -0.101 0.000 1.175 386 H CB 0.445 30.177 29.762 -0.050 0.000 1.485 386 H HN 0.238 nan 8.280 nan 0.000 0.543 387 A N 0.540 123.354 122.820 -0.009 0.000 2.123 387 A HA 0.245 4.564 4.320 -0.001 0.000 0.214 387 A C 0.316 178.043 177.584 0.237 0.000 1.152 387 A CA 0.337 52.450 52.037 0.127 0.000 0.728 387 A CB -0.258 18.880 19.000 0.231 0.000 0.814 387 A HN 0.262 nan 8.150 nan 0.000 0.464 388 F N -3.655 116.327 119.950 0.052 0.000 2.831 388 F HA 0.597 5.123 4.527 -0.001 0.000 0.318 388 F C -1.239 174.607 175.800 0.077 0.000 1.174 388 F CA -2.113 55.932 58.000 0.074 0.000 0.918 388 F CB 0.184 39.289 39.000 0.174 0.000 1.364 388 F HN -0.192 nan 8.300 nan 0.000 0.475 389 D N 0.973 121.492 120.400 0.198 0.000 2.348 389 D HA 0.193 4.832 4.640 -0.001 0.000 0.253 389 D C 0.255 176.574 176.300 0.032 0.000 1.161 389 D CA 0.089 54.130 54.000 0.067 0.000 0.876 389 D CB 1.217 42.083 40.800 0.109 0.000 1.160 389 D HN 0.521 nan 8.370 nan 0.000 0.459 390 Q N 2.116 121.857 119.800 -0.098 0.000 2.360 390 Q HA 0.087 4.427 4.340 -0.001 0.000 0.202 390 Q C -0.311 175.678 176.000 -0.019 0.000 0.915 390 Q CA -0.021 55.727 55.803 -0.092 0.000 0.943 390 Q CB -0.007 28.631 28.738 -0.167 0.000 1.064 390 Q HN 0.414 nan 8.270 nan 0.000 0.511 391 N N 3.586 122.283 118.700 -0.005 0.000 2.497 391 N HA 0.129 4.868 4.740 -0.001 0.000 0.271 391 N C -2.287 173.213 175.510 -0.017 0.000 1.142 391 N CA -1.028 52.019 53.050 -0.005 0.000 0.965 391 N CB 0.595 39.083 38.487 0.001 0.000 1.077 391 N HN 0.065 nan 8.380 nan 0.000 0.462 392 P HA 0.072 nan 4.420 nan 0.000 0.264 392 P C -2.425 174.810 177.300 -0.108 0.000 1.193 392 P CA -0.645 62.413 63.100 -0.071 0.000 0.763 392 P CB -0.096 31.586 31.700 -0.030 0.000 0.810 393 P HA 0.200 nan 4.420 nan 0.000 0.274 393 P C -2.344 174.915 177.300 -0.070 0.000 1.237 393 P CA -1.852 61.088 63.100 -0.267 0.000 0.793 393 P CB -0.838 30.496 31.700 -0.610 0.000 0.977 394 P HA 0.054 nan 4.420 nan 0.000 0.262 394 P C 0.241 177.727 177.300 0.310 0.000 1.199 394 P CA 0.528 63.730 63.100 0.171 0.000 0.763 394 P CB 0.652 32.447 31.700 0.158 0.000 0.790 395 E N 1.198 121.565 120.200 0.278 0.000 2.472 395 E HA 0.091 4.440 4.350 -0.001 0.000 0.196 395 E C 0.606 177.367 176.600 0.268 0.000 1.033 395 E CA 0.196 56.776 56.400 0.300 0.000 0.886 395 E CB 0.547 30.393 29.700 0.243 0.000 0.944 395 E HN 0.409 nan 8.360 nan 0.000 0.492 396 V N -1.665 118.385 119.914 0.227 0.000 3.114 396 V HA 0.563 4.683 4.120 -0.001 0.000 0.308 396 V C -0.610 175.572 176.094 0.147 0.000 1.168 396 V CA -1.361 61.037 62.300 0.163 0.000 1.015 396 V CB 1.131 32.957 31.823 0.004 0.000 1.050 396 V HN 0.052 nan 8.190 nan 0.000 0.433 397 F N 0.232 120.221 119.950 0.066 0.000 2.518 397 F HA 0.995 5.521 4.527 -0.001 0.000 0.338 397 F C -2.392 173.428 175.800 0.034 0.000 1.065 397 F CA -2.929 55.095 58.000 0.040 0.000 1.012 397 F CB 0.242 39.234 39.000 -0.014 0.000 1.297 397 F HN 0.427 nan 8.300 nan 0.000 0.489 398 P HA 0.055 nan 4.420 nan 0.000 0.270 398 P C 0.289 177.678 177.300 0.149 0.000 1.242 398 P CA -0.044 63.142 63.100 0.144 0.000 0.768 398 P CB 1.081 32.904 31.700 0.206 0.000 0.820 399 E N 3.170 123.338 120.200 -0.053 0.000 2.396 399 E HA -0.220 4.130 4.350 -0.001 0.000 0.200 399 E C 0.280 176.931 176.600 0.085 0.000 1.023 399 E CA 1.468 57.840 56.400 -0.048 0.000 0.857 399 E CB -0.840 28.776 29.700 -0.139 0.000 0.775 399 E HN 0.553 nan 8.360 nan 0.000 0.525 400 D N -1.015 119.451 120.400 0.110 0.000 2.328 400 D HA -0.066 4.573 4.640 -0.001 0.000 0.226 400 D C 0.086 176.480 176.300 0.156 0.000 1.066 400 D CA -0.480 53.581 54.000 0.102 0.000 0.861 400 D CB -0.732 40.103 40.800 0.060 0.000 0.912 400 D HN 0.163 nan 8.370 nan 0.000 0.521 401 Y N 1.584 121.973 120.300 0.149 0.000 2.442 401 Y HA 0.205 4.754 4.550 -0.001 0.000 0.330 401 Y C -0.107 175.868 175.900 0.124 0.000 1.129 401 Y CA -0.608 57.582 58.100 0.150 0.000 1.365 401 Y CB 0.653 39.241 38.460 0.215 0.000 1.233 401 Y HN -0.168 nan 8.280 nan 0.000 0.529 402 D N 6.446 126.783 120.400 -0.106 0.000 2.380 402 D HA 0.070 4.709 4.640 -0.001 0.000 0.230 402 D C 0.814 177.209 176.300 0.158 0.000 1.154 402 D CA -0.231 53.780 54.000 0.018 0.000 0.859 402 D CB 0.214 40.969 40.800 -0.075 0.000 1.045 402 D HN 0.672 nan 8.370 nan 0.000 0.495 403 I N -0.085 120.688 120.570 0.338 0.000 3.444 403 I HA 0.154 4.324 4.170 -0.001 0.000 0.287 403 I C 0.135 176.444 176.117 0.321 0.000 1.302 403 I CA 0.394 61.934 61.300 0.398 0.000 1.368 403 I CB 0.106 38.304 38.000 0.330 0.000 1.048 403 I HN 0.005 nan 8.210 nan 0.000 0.487 404 D N 0.781 121.285 120.400 0.173 0.000 2.363 404 D HA 0.137 4.776 4.640 -0.001 0.000 0.214 404 D C -0.002 176.360 176.300 0.103 0.000 1.093 404 D CA 0.374 54.431 54.000 0.094 0.000 0.837 404 D CB 0.605 41.372 40.800 -0.055 0.000 0.948 404 D HN 0.264 nan 8.370 nan 0.000 0.507 405 T N 0.973 115.584 114.554 0.095 0.000 2.887 405 T HA 0.398 4.747 4.350 -0.001 0.000 0.288 405 T C -2.623 172.114 174.700 0.061 0.000 1.021 405 T CA -1.792 60.333 62.100 0.042 0.000 1.000 405 T CB 2.033 70.882 68.868 -0.033 0.000 1.034 405 T HN -0.275 nan 8.240 nan 0.000 0.467 406 P HA 0.076 nan 4.420 nan 0.000 0.263 406 P C -2.436 174.871 177.300 0.011 0.000 1.168 406 P CA -0.679 62.439 63.100 0.030 0.000 0.759 406 P CB -0.444 31.261 31.700 0.009 0.000 0.782 407 P HA -0.050 nan 4.420 nan 0.000 0.266 407 P C 1.118 178.420 177.300 0.004 0.000 1.195 407 P CA 0.371 63.504 63.100 0.055 0.000 0.768 407 P CB 0.217 31.975 31.700 0.096 0.000 0.838 408 T N -1.589 112.961 114.554 -0.006 0.000 3.023 408 T HA -0.084 4.266 4.350 -0.001 0.000 0.266 408 T C 0.882 175.587 174.700 0.010 0.000 1.093 408 T CA 0.632 62.727 62.100 -0.009 0.000 1.129 408 T CB -0.664 68.194 68.868 -0.017 0.000 0.899 408 T HN 0.451 nan 8.240 nan 0.000 0.491 409 N N 0.607 119.327 118.700 0.032 0.000 2.936 409 N HA -0.230 4.509 4.740 -0.001 0.000 0.236 409 N C 0.844 176.376 175.510 0.037 0.000 0.930 409 N CA 1.234 54.304 53.050 0.032 0.000 0.966 409 N CB -1.436 37.057 38.487 0.010 0.000 1.090 409 N HN 0.752 nan 8.380 nan 0.000 0.592 410 E N 0.945 121.166 120.200 0.036 0.000 2.132 410 E HA -0.234 4.115 4.350 -0.001 0.000 0.218 410 E C 0.717 177.342 176.600 0.042 0.000 1.058 410 E CA 2.003 58.424 56.400 0.035 0.000 0.882 410 E CB -0.009 29.712 29.700 0.035 0.000 0.774 410 E HN 0.486 nan 8.360 nan 0.000 0.467 411 K N -0.160 120.273 120.400 0.056 0.000 2.414 411 K HA 0.135 4.455 4.320 -0.001 0.000 0.204 411 K C -0.428 176.208 176.600 0.061 0.000 1.026 411 K CA -0.057 56.265 56.287 0.058 0.000 1.108 411 K CB 1.212 33.752 32.500 0.066 0.000 0.855 411 K HN -0.015 nan 8.250 nan 0.000 0.517 412 T N 3.944 118.534 114.554 0.060 0.000 2.817 412 T HA 0.074 4.423 4.350 -0.001 0.000 0.295 412 T C 0.315 175.046 174.700 0.052 0.000 0.958 412 T CA -0.060 62.074 62.100 0.058 0.000 1.157 412 T CB 0.348 69.245 68.868 0.048 0.000 0.898 412 T HN 0.274 nan 8.240 nan 0.000 0.536 413 R N 2.821 123.354 120.500 0.055 0.000 2.905 413 R HA 0.618 4.957 4.340 -0.001 0.000 0.260 413 R C -1.133 175.197 176.300 0.050 0.000 1.086 413 R CA -1.032 55.097 56.100 0.050 0.000 0.978 413 R CB 1.255 31.584 30.300 0.048 0.000 1.215 413 R HN 0.477 nan 8.270 nan 0.000 0.480 414 I N -0.025 120.571 120.570 0.042 0.000 2.498 414 I HA 0.607 4.777 4.170 -0.001 0.000 0.301 414 I C 0.284 176.428 176.117 0.045 0.000 0.984 414 I CA -0.367 60.956 61.300 0.038 0.000 1.204 414 I CB 1.975 39.985 38.000 0.017 0.000 1.362 414 I HN 0.933 nan 8.210 nan 0.000 0.471 415 G N 3.325 112.158 108.800 0.055 0.000 2.550 415 G HA2 0.261 4.220 3.960 -0.001 0.000 0.293 415 G HA3 0.261 4.220 3.960 -0.001 0.000 0.293 415 G C -1.105 173.850 174.900 0.091 0.000 1.402 415 G CA -0.644 44.497 45.100 0.068 0.000 0.784 415 G HN 0.752 nan 8.290 nan 0.000 0.482 416 N N -0.447 118.327 118.700 0.124 0.000 2.475 416 N HA 0.210 4.949 4.740 -0.001 0.000 0.272 416 N C 0.592 176.248 175.510 0.244 0.000 1.482 416 N CA -0.324 52.843 53.050 0.194 0.000 0.863 416 N CB 1.391 40.006 38.487 0.213 0.000 1.400 416 N HN 0.782 nan 8.380 nan 0.000 0.489 417 G N 0.647 109.529 108.800 0.137 0.000 2.667 417 G HA2 0.404 4.363 3.960 -0.001 0.000 0.250 417 G HA3 0.404 4.363 3.960 -0.001 0.000 0.250 417 G C -0.491 174.379 174.900 -0.050 0.000 1.212 417 G CA -0.061 45.097 45.100 0.098 0.000 0.874 417 G HN 0.078 nan 8.290 nan 0.000 0.561 418 V N 0.382 120.238 119.914 -0.095 0.000 2.709 418 V HA 0.288 4.407 4.120 -0.001 0.000 0.308 418 V C -1.203 174.773 176.094 -0.197 0.000 1.062 418 V CA -0.777 61.407 62.300 -0.194 0.000 0.901 418 V CB 1.747 33.384 31.823 -0.310 0.000 1.003 418 V HN 0.616 nan 8.190 nan 0.000 0.425 419 Y N 3.190 123.453 120.300 -0.061 0.000 2.393 419 Y HA 0.440 4.989 4.550 -0.001 0.000 0.338 419 Y C 0.631 176.199 175.900 -0.552 0.000 1.029 419 Y CA 0.028 57.981 58.100 -0.245 0.000 1.239 419 Y CB 0.700 39.057 38.460 -0.171 0.000 1.170 419 Y HN 0.560 nan 8.280 nan 0.000 0.515 420 Q N 2.973 122.514 119.800 -0.432 0.000 2.282 420 Q HA 0.554 4.893 4.340 -0.001 0.000 0.260 420 Q C -1.425 174.208 176.000 -0.612 0.000 0.964 420 Q CA -0.685 54.864 55.803 -0.423 0.000 0.880 420 Q CB 1.644 30.294 28.738 -0.148 0.000 1.286 420 Q HN 0.483 nan 8.270 nan 0.000 0.445 421 F N 0.449 120.413 119.950 0.024 0.000 2.556 421 F HA 0.472 4.998 4.527 -0.001 0.000 0.327 421 F C 0.197 176.007 175.800 0.017 0.000 1.059 421 F CA -1.047 56.943 58.000 -0.017 0.000 0.953 421 F CB 1.270 40.232 39.000 -0.064 0.000 1.227 421 F HN 0.207 nan 8.300 nan 0.000 0.478 422 K N 1.485 122.011 120.400 0.209 0.000 2.172 422 K HA 0.390 4.709 4.320 -0.001 0.000 0.276 422 K C -0.510 176.163 176.600 0.122 0.000 1.013 422 K CA -0.880 55.481 56.287 0.123 0.000 0.913 422 K CB 1.188 33.736 32.500 0.078 0.000 1.055 422 K HN 0.628 nan 8.250 nan 0.000 0.461 423 I N 4.027 124.664 120.570 0.112 0.000 2.849 423 I HA -0.031 4.138 4.170 -0.001 0.000 0.288 423 I C 0.847 177.007 176.117 0.073 0.000 1.156 423 I CA 1.592 62.958 61.300 0.109 0.000 1.394 423 I CB -0.307 37.753 38.000 0.101 0.000 1.462 423 I HN 0.954 nan 8.210 nan 0.000 0.587 424 G N 4.671 113.507 108.800 0.060 0.000 2.421 424 G HA2 -0.167 3.792 3.960 -0.001 0.000 0.188 424 G HA3 -0.167 3.792 3.960 -0.001 0.000 0.188 424 G C 0.189 175.078 174.900 -0.018 0.000 1.001 424 G CA -0.371 44.745 45.100 0.027 0.000 0.693 424 G HN 0.525 nan 8.290 nan 0.000 0.479 425 E N 0.772 120.946 120.200 -0.042 0.000 2.452 425 E HA 0.316 4.665 4.350 -0.001 0.000 0.261 425 E C 0.061 176.524 176.600 -0.229 0.000 0.987 425 E CA 0.129 56.460 56.400 -0.114 0.000 0.926 425 E CB 1.637 31.261 29.700 -0.126 0.000 0.934 425 E HN 0.115 nan 8.360 nan 0.000 0.452 426 V N 4.881 124.675 119.914 -0.199 0.000 2.368 426 V HA 0.082 4.201 4.120 -0.001 0.000 0.266 426 V C 0.078 175.946 176.094 -0.376 0.000 1.045 426 V CA -0.393 61.760 62.300 -0.244 0.000 0.899 426 V CB 0.969 32.723 31.823 -0.114 0.000 1.006 426 V HN 0.348 nan 8.190 nan 0.000 0.470 427 V N 4.503 123.965 119.914 -0.753 0.000 2.427 427 V HA 0.429 4.549 4.120 -0.001 0.000 0.286 427 V C -0.038 175.611 176.094 -0.741 0.000 1.034 427 V CA -0.677 61.067 62.300 -0.926 0.000 0.893 427 V CB 1.809 32.620 31.823 -1.686 0.000 0.982 427 V HN 0.756 nan 8.190 nan 0.000 0.452 428 D N 2.583 122.613 120.400 -0.616 0.000 2.192 428 D HA 0.575 5.214 4.640 -0.001 0.000 0.246 428 D C -1.127 174.834 176.300 -0.565 0.000 1.042 428 D CA -0.063 53.592 54.000 -0.576 0.000 0.847 428 D CB 2.505 42.830 40.800 -0.792 0.000 1.186 428 D HN 0.303 nan 8.370 nan 0.000 0.461 429 V N 3.871 123.512 119.914 -0.455 0.000 2.531 429 V HA 0.381 4.500 4.120 -0.001 0.000 0.301 429 V C -0.207 175.626 176.094 -0.435 0.000 1.034 429 V CA -0.746 61.310 62.300 -0.407 0.000 0.865 429 V CB 1.805 33.491 31.823 -0.228 0.000 0.995 429 V HN 0.375 nan 8.190 nan 0.000 0.424 430 I N 5.511 125.778 120.570 -0.505 0.000 2.355 430 I HA 0.415 4.584 4.170 -0.001 0.000 0.288 430 I C -0.247 175.771 176.117 -0.166 0.000 0.999 430 I CA 0.045 61.120 61.300 -0.376 0.000 1.163 430 I CB 1.469 39.126 38.000 -0.573 0.000 1.316 430 I HN 0.416 nan 8.210 nan 0.000 0.454 431 L N 6.221 127.362 121.223 -0.136 0.000 2.276 431 L HA 0.487 4.826 4.340 -0.001 0.000 0.286 431 L C -0.163 176.717 176.870 0.017 0.000 1.061 431 L CA -0.514 54.214 54.840 -0.186 0.000 0.807 431 L CB 1.023 42.847 42.059 -0.392 0.000 1.177 431 L HN 0.503 nan 8.230 nan 0.000 0.429 432 Q N 3.412 123.222 119.800 0.017 0.000 2.333 432 Q HA 0.324 4.663 4.340 -0.001 0.000 0.268 432 Q C -0.732 175.272 176.000 0.007 0.000 1.007 432 Q CA -0.379 55.477 55.803 0.088 0.000 0.810 432 Q CB 1.328 30.076 28.738 0.017 0.000 1.264 432 Q HN 0.468 nan 8.270 nan 0.000 0.452 433 N N 1.955 120.718 118.700 0.105 0.000 2.434 433 N HA 0.815 5.554 4.740 -0.001 0.000 0.266 433 N C -1.417 174.149 175.510 0.095 0.000 1.223 433 N CA 0.301 53.413 53.050 0.104 0.000 0.972 433 N CB 1.341 39.907 38.487 0.132 0.000 1.207 433 N HN 0.732 nan 8.380 nan 0.000 0.525 434 A N 0.736 123.614 122.820 0.097 0.000 2.557 434 A HA 0.404 4.723 4.320 -0.001 0.000 0.292 434 A C -0.932 176.741 177.584 0.149 0.000 1.139 434 A CA -0.758 51.379 52.037 0.167 0.000 0.665 434 A CB 0.412 19.468 19.000 0.094 0.000 1.285 434 A HN 0.741 nan 8.150 nan 0.000 0.433 435 N N -0.063 118.801 118.700 0.273 0.000 2.530 435 N HA 0.493 5.232 4.740 -0.001 0.000 0.273 435 N C 0.429 176.013 175.510 0.124 0.000 1.173 435 N CA -0.078 53.108 53.050 0.227 0.000 0.967 435 N CB 0.294 38.974 38.487 0.323 0.000 1.109 435 N HN 0.594 nan 8.380 nan 0.000 0.453 436 M N 1.914 121.552 119.600 0.064 0.000 1.801 436 M HA 0.123 4.602 4.480 -0.001 0.000 0.198 436 M C 1.487 177.760 176.300 -0.045 0.000 1.248 436 M CA -0.424 54.861 55.300 -0.024 0.000 0.893 436 M CB 0.173 32.767 32.600 -0.008 0.000 1.199 436 M HN 0.559 nan 8.290 nan 0.000 0.482 437 M N 0.261 119.791 119.600 -0.116 0.000 2.175 437 M HA -0.014 4.465 4.480 -0.001 0.000 0.264 437 M C 0.713 176.990 176.300 -0.039 0.000 1.063 437 M CA 1.318 56.567 55.300 -0.085 0.000 1.119 437 M CB -0.981 31.546 32.600 -0.122 0.000 1.377 437 M HN 0.401 nan 8.290 nan 0.000 0.415 438 K N 2.008 122.389 120.400 -0.032 0.000 2.350 438 K HA 0.033 4.352 4.320 -0.001 0.000 0.279 438 K C -0.438 176.181 176.600 0.032 0.000 1.027 438 K CA 0.041 56.326 56.287 -0.003 0.000 0.969 438 K CB 0.604 33.103 32.500 -0.002 0.000 0.954 438 K HN 0.171 nan 8.250 nan 0.000 0.474 439 E N 2.760 122.982 120.200 0.037 0.000 2.465 439 E HA -0.111 4.238 4.350 -0.001 0.000 0.260 439 E C -0.440 176.214 176.600 0.090 0.000 0.980 439 E CA 0.557 56.992 56.400 0.058 0.000 0.927 439 E CB 0.096 29.822 29.700 0.043 0.000 0.934 439 E HN 0.677 nan 8.360 nan 0.000 0.459 440 N N 0.982 119.764 118.700 0.137 0.000 2.783 440 N HA -0.217 4.523 4.740 -0.001 0.000 0.247 440 N C -1.460 174.182 175.510 0.221 0.000 1.089 440 N CA 0.072 53.240 53.050 0.197 0.000 0.690 440 N CB -0.674 37.894 38.487 0.135 0.000 0.991 440 N HN 0.185 nan 8.380 nan 0.000 0.552 441 L N -0.274 121.061 121.223 0.187 0.000 2.410 441 L HA 0.788 5.127 4.340 -0.001 0.000 0.270 441 L C -0.826 176.032 176.870 -0.020 0.000 0.983 441 L CA -0.453 54.451 54.840 0.107 0.000 0.822 441 L CB 2.256 44.366 42.059 0.084 0.000 1.285 441 L HN -0.017 nan 8.230 nan 0.000 0.409 442 S N 3.036 118.614 115.700 -0.205 0.000 2.549 442 S HA 0.745 5.214 4.470 -0.001 0.000 0.280 442 S C -1.067 173.429 174.600 -0.174 0.000 1.109 442 S CA -0.532 57.469 58.200 -0.331 0.000 0.905 442 S CB 1.372 63.944 63.200 -1.047 0.000 1.081 442 S HN 0.775 nan 8.310 nan 0.000 0.477 443 E N 0.645 120.796 120.200 -0.082 0.000 2.355 443 E HA 0.485 4.834 4.350 -0.001 0.000 0.261 443 E C -0.727 175.685 176.600 -0.314 0.000 0.943 443 E CA -1.000 55.322 56.400 -0.129 0.000 0.806 443 E CB 1.575 31.239 29.700 -0.060 0.000 1.286 443 E HN 0.698 nan 8.360 nan 0.000 0.424 444 T N -0.941 113.434 114.554 -0.298 0.000 2.889 444 T HA 0.308 4.658 4.350 -0.001 0.000 0.291 444 T C -0.371 174.004 174.700 -0.542 0.000 0.995 444 T CA -0.594 61.296 62.100 -0.350 0.000 1.092 444 T CB 0.551 69.292 68.868 -0.211 0.000 0.954 444 T HN 0.333 nan 8.240 nan 0.000 0.506 445 H N 3.165 122.177 119.070 -0.097 0.000 2.906 445 H HA 0.335 4.890 4.556 -0.001 0.000 0.324 445 H C -2.673 172.632 175.328 -0.038 0.000 0.973 445 H CA -1.982 54.025 56.048 -0.069 0.000 1.321 445 H CB 1.987 31.756 29.762 0.012 0.000 1.535 445 H HN 0.540 nan 8.280 nan 0.000 0.518 446 P HA -0.034 nan 4.420 nan 0.000 0.270 446 P C -0.567 176.743 177.300 0.017 0.000 1.242 446 P CA -0.027 63.098 63.100 0.042 0.000 0.768 446 P CB 0.315 32.059 31.700 0.072 0.000 0.820 447 W N 3.126 124.452 121.300 0.043 0.000 2.433 447 W HA 0.328 4.987 4.660 -0.001 0.000 0.315 447 W C 0.589 177.228 176.519 0.201 0.000 1.087 447 W CA 0.142 57.480 57.345 -0.012 0.000 1.205 447 W CB 0.985 30.353 29.460 -0.153 0.000 1.288 447 W HN 0.442 nan 8.180 nan 0.000 0.504 448 H N 3.420 122.601 119.070 0.184 0.000 2.538 448 H HA 0.565 5.120 4.556 -0.001 0.000 0.353 448 H C -1.562 173.999 175.328 0.388 0.000 1.109 448 H CA -0.775 55.407 56.048 0.223 0.000 1.192 448 H CB 1.200 31.003 29.762 0.068 0.000 1.555 448 H HN 0.472 nan 8.280 nan 0.000 0.518 449 L N 5.919 127.060 121.223 -0.137 0.000 2.322 449 L HA 0.362 4.702 4.340 -0.001 0.000 0.281 449 L C -0.277 176.318 176.870 -0.458 0.000 1.014 449 L CA -0.692 54.077 54.840 -0.118 0.000 0.815 449 L CB 0.767 42.732 42.059 -0.158 0.000 1.247 449 L HN 0.772 nan 8.230 nan 0.000 0.421 450 H N 2.862 121.731 119.070 -0.334 0.000 2.551 450 H HA 0.127 4.683 4.556 -0.001 0.000 0.358 450 H C 0.861 175.934 175.328 -0.425 0.000 1.151 450 H CA 0.374 56.289 56.048 -0.220 0.000 1.374 450 H CB 1.440 31.260 29.762 0.097 0.000 1.473 450 H HN 0.927 nan 8.280 nan 0.000 0.574 451 G N 1.933 110.368 108.800 -0.608 0.000 2.233 451 G HA2 -0.272 3.687 3.960 -0.001 0.000 0.270 451 G HA3 -0.272 3.687 3.960 -0.001 0.000 0.270 451 G C -0.431 173.695 174.900 -1.289 0.000 1.011 451 G CA 0.908 45.167 45.100 -1.401 0.000 0.762 451 G HN 0.875 nan 8.290 nan 0.000 0.511 452 H N -1.585 117.116 119.070 -0.616 0.000 3.003 452 H HA 0.594 5.149 4.556 -0.001 0.000 0.327 452 H C -1.373 173.675 175.328 -0.466 0.000 1.353 452 H CA -0.884 54.873 56.048 -0.485 0.000 1.142 452 H CB 1.214 30.691 29.762 -0.476 0.000 1.864 452 H HN 0.088 nan 8.280 nan 0.000 0.529 453 D N 0.776 120.990 120.400 -0.311 0.000 2.457 453 D HA 0.367 5.006 4.640 -0.001 0.000 0.240 453 D C -0.814 175.205 176.300 -0.470 0.000 1.041 453 D CA -0.418 53.280 54.000 -0.503 0.000 0.861 453 D CB 1.939 42.460 40.800 -0.466 0.000 1.394 453 D HN 0.272 nan 8.370 nan 0.000 0.473 454 F N -1.412 118.347 119.950 -0.317 0.000 2.598 454 F HA 0.642 5.168 4.527 -0.001 0.000 0.327 454 F C -0.515 175.145 175.800 -0.234 0.000 1.057 454 F CA -1.463 56.395 58.000 -0.237 0.000 0.957 454 F CB 0.915 39.860 39.000 -0.093 0.000 1.278 454 F HN 0.146 nan 8.300 nan 0.000 0.484 455 W N 1.601 123.064 121.300 0.272 0.000 2.351 455 W HA 0.526 5.185 4.660 -0.001 0.000 0.311 455 W C -0.999 175.639 176.519 0.199 0.000 1.168 455 W CA -1.017 56.432 57.345 0.173 0.000 1.200 455 W CB 1.895 31.410 29.460 0.091 0.000 1.221 455 W HN 0.199 nan 8.180 nan 0.000 0.519 456 V N 5.767 125.896 119.914 0.357 0.000 2.387 456 V HA -0.085 4.034 4.120 -0.001 0.000 0.260 456 V C 0.941 177.086 176.094 0.085 0.000 1.054 456 V CA -0.078 62.321 62.300 0.165 0.000 0.967 456 V CB 0.575 32.473 31.823 0.124 0.000 1.036 456 V HN 0.436 nan 8.190 nan 0.000 0.481 457 L N 4.384 125.622 121.223 0.026 0.000 2.179 457 L HA 0.403 4.742 4.340 -0.001 0.000 0.208 457 L C 1.197 178.065 176.870 -0.004 0.000 1.096 457 L CA 1.629 56.486 54.840 0.028 0.000 0.779 457 L CB -0.642 41.428 42.059 0.020 0.000 0.922 457 L HN 0.875 nan 8.230 nan 0.000 0.443 458 G N -3.161 105.559 108.800 -0.134 0.000 2.315 458 G HA2 0.355 4.314 3.960 -0.001 0.000 0.294 458 G HA3 0.355 4.314 3.960 -0.001 0.000 0.294 458 G C -2.086 172.499 174.900 -0.523 0.000 1.300 458 G CA -0.693 44.292 45.100 -0.191 0.000 0.843 458 G HN -0.204 nan 8.290 nan 0.000 0.527 459 Y N -1.086 118.893 120.300 -0.535 0.000 2.534 459 Y HA 0.790 5.339 4.550 -0.001 0.000 0.345 459 Y C 0.622 175.845 175.900 -1.130 0.000 1.031 459 Y CA -0.158 57.446 58.100 -0.826 0.000 1.022 459 Y CB 2.491 40.631 38.460 -0.533 0.000 1.292 459 Y HN 1.148 nan 8.280 nan 0.000 0.459 460 G N 0.434 108.382 108.800 -1.420 0.000 2.682 460 G HA2 0.561 4.520 3.960 -0.001 0.000 0.290 460 G HA3 0.561 4.520 3.960 -0.001 0.000 0.290 460 G C -2.062 172.580 174.900 -0.430 0.000 1.425 460 G CA -0.959 43.660 45.100 -0.803 0.000 0.807 460 G HN 0.472 nan 8.290 nan 0.000 0.482 461 D N -0.669 119.757 120.400 0.043 0.000 2.181 461 D HA 0.606 5.245 4.640 -0.001 0.000 0.248 461 D C 0.894 177.385 176.300 0.318 0.000 1.020 461 D CA 1.046 55.143 54.000 0.161 0.000 0.891 461 D CB 1.715 42.599 40.800 0.139 0.000 1.187 461 D HN 1.018 nan 8.370 nan 0.000 0.443 462 G N 1.126 110.118 108.800 0.320 0.000 2.539 462 G HA2 -0.282 3.678 3.960 -0.001 0.000 0.256 462 G HA3 -0.282 3.678 3.960 -0.001 0.000 0.256 462 G C -0.313 174.868 174.900 0.470 0.000 1.233 462 G CA -0.411 44.888 45.100 0.331 0.000 0.936 462 G HN 0.639 nan 8.290 nan 0.000 0.571 463 K N -0.297 120.319 120.400 0.361 0.000 2.205 463 K HA 0.545 4.864 4.320 -0.001 0.000 0.279 463 K C 0.049 176.795 176.600 0.243 0.000 1.027 463 K CA -0.677 55.814 56.287 0.340 0.000 0.932 463 K CB 0.487 33.134 32.500 0.245 0.000 1.032 463 K HN 0.496 nan 8.250 nan 0.000 0.466 464 F N 3.342 123.254 119.950 -0.062 0.000 2.529 464 F HA 0.089 4.615 4.527 -0.001 0.000 0.365 464 F C 0.031 175.676 175.800 -0.258 0.000 1.102 464 F CA 0.454 58.139 58.000 -0.525 0.000 1.271 464 F CB 0.547 39.147 39.000 -0.667 0.000 1.120 464 F HN 0.535 nan 8.300 nan 0.000 0.579 465 S N 4.182 119.292 115.700 -0.982 0.000 2.634 465 S HA 0.740 5.209 4.470 -0.001 0.000 0.296 465 S C 0.408 174.424 174.600 -0.974 0.000 1.104 465 S CA -0.453 57.331 58.200 -0.693 0.000 0.920 465 S CB 1.416 64.407 63.200 -0.348 0.000 1.111 465 S HN 0.979 nan 8.310 nan 0.000 0.493 466 A N 0.687 123.195 122.820 -0.519 0.000 2.019 466 A HA 0.003 4.322 4.320 -0.001 0.000 0.219 466 A C 1.718 179.144 177.584 -0.262 0.000 1.164 466 A CA 1.085 52.923 52.037 -0.331 0.000 0.644 466 A CB -0.747 18.174 19.000 -0.132 0.000 0.805 466 A HN 0.806 nan 8.150 nan 0.000 0.449 467 E N -0.017 120.034 120.200 -0.248 0.000 2.472 467 E HA -0.134 4.215 4.350 -0.001 0.000 0.200 467 E C 1.337 177.850 176.600 -0.145 0.000 1.046 467 E CA 0.782 57.092 56.400 -0.151 0.000 0.871 467 E CB -0.154 29.479 29.700 -0.112 0.000 0.806 467 E HN 0.663 nan 8.360 nan 0.000 0.533 468 E N 0.739 120.771 120.200 -0.279 0.000 2.427 468 E HA -0.104 4.245 4.350 -0.001 0.000 0.196 468 E C 1.561 178.166 176.600 0.008 0.000 1.028 468 E CA 0.272 56.575 56.400 -0.162 0.000 0.864 468 E CB 0.063 29.494 29.700 -0.450 0.000 0.813 468 E HN 0.103 nan 8.360 nan 0.000 0.514 469 E N -0.192 120.008 120.200 -0.000 0.000 2.114 469 E HA -0.199 4.150 4.350 -0.001 0.000 0.199 469 E C 1.677 178.331 176.600 0.091 0.000 1.008 469 E CA 1.746 58.199 56.400 0.088 0.000 0.810 469 E CB -0.225 29.518 29.700 0.072 0.000 0.739 469 E HN 0.289 nan 8.360 nan 0.000 0.456 470 S N -0.612 115.127 115.700 0.064 0.000 2.500 470 S HA -0.160 4.309 4.470 -0.001 0.000 0.239 470 S C 1.900 176.550 174.600 0.083 0.000 0.989 470 S CA 0.994 59.231 58.200 0.062 0.000 0.951 470 S CB -0.390 62.836 63.200 0.043 0.000 0.759 470 S HN 0.328 nan 8.310 nan 0.000 0.523 471 S N 1.114 116.886 115.700 0.121 0.000 2.501 471 S HA 0.257 4.726 4.470 -0.001 0.000 0.220 471 S C 0.594 175.278 174.600 0.139 0.000 0.997 471 S CA -0.391 57.891 58.200 0.137 0.000 0.919 471 S CB -0.647 62.667 63.200 0.190 0.000 0.778 471 S HN 0.447 nan 8.310 nan 0.000 0.523 472 L N 3.438 124.754 121.223 0.154 0.000 2.477 472 L HA 0.184 4.523 4.340 -0.001 0.000 0.272 472 L C 0.472 177.390 176.870 0.079 0.000 1.157 472 L CA -0.318 54.603 54.840 0.134 0.000 0.889 472 L CB -0.161 41.980 42.059 0.137 0.000 1.158 472 L HN 0.187 nan 8.230 nan 0.000 0.473 473 N N 4.484 123.224 118.700 0.067 0.000 2.498 473 N HA 0.053 4.792 4.740 -0.001 0.000 0.277 473 N C 0.609 176.133 175.510 0.023 0.000 1.208 473 N CA 0.171 53.251 53.050 0.049 0.000 1.029 473 N CB 0.334 38.857 38.487 0.060 0.000 1.403 473 N HN 0.559 nan 8.380 nan 0.000 0.500 474 L N 1.312 122.535 121.223 0.000 0.000 2.591 474 L HA 0.067 4.406 4.340 -0.001 0.000 0.228 474 L C 1.916 178.754 176.870 -0.054 0.000 1.133 474 L CA 0.247 55.056 54.840 -0.051 0.000 0.880 474 L CB -0.078 41.948 42.059 -0.054 0.000 1.033 474 L HN 0.324 nan 8.230 nan 0.000 0.450 475 K N 0.745 121.139 120.400 -0.010 0.000 2.121 475 K HA 0.000 4.320 4.320 -0.001 0.000 0.203 475 K C 1.392 178.008 176.600 0.027 0.000 1.041 475 K CA 1.203 57.492 56.287 0.004 0.000 0.969 475 K CB 0.165 32.676 32.500 0.018 0.000 0.799 475 K HN -0.054 nan 8.250 nan 0.000 0.456 476 N N 0.686 119.417 118.700 0.053 0.000 2.282 476 N HA 0.247 4.986 4.740 -0.001 0.000 0.240 476 N C -2.779 172.811 175.510 0.134 0.000 1.182 476 N CA -1.720 51.383 53.050 0.090 0.000 0.874 476 N CB 0.683 39.219 38.487 0.083 0.000 1.126 476 N HN 0.185 nan 8.380 nan 0.000 0.516 477 P HA 0.191 nan 4.420 nan 0.000 0.271 477 P C -2.811 174.671 177.300 0.304 0.000 1.216 477 P CA -0.915 62.315 63.100 0.218 0.000 0.771 477 P CB 0.637 32.465 31.700 0.213 0.000 0.864 478 P HA 0.173 nan 4.420 nan 0.000 0.271 478 P C -0.440 176.940 177.300 0.133 0.000 1.218 478 P CA -0.040 63.174 63.100 0.191 0.000 0.780 478 P CB 0.741 32.547 31.700 0.176 0.000 0.901 479 L N 4.008 125.230 121.223 -0.002 0.000 2.261 479 L HA 0.371 4.710 4.340 -0.001 0.000 0.289 479 L C 1.187 177.908 176.870 -0.249 0.000 1.059 479 L CA 0.019 54.717 54.840 -0.236 0.000 0.816 479 L CB 0.239 42.123 42.059 -0.291 0.000 1.191 479 L HN 0.304 nan 8.230 nan 0.000 0.431 480 R N 1.455 121.720 120.500 -0.391 0.000 2.888 480 R HA 0.359 4.698 4.340 -0.001 0.000 0.264 480 R C 0.005 175.752 176.300 -0.921 0.000 1.045 480 R CA -0.752 55.075 56.100 -0.454 0.000 0.962 480 R CB 1.573 31.756 30.300 -0.195 0.000 1.210 480 R HN 0.628 nan 8.270 nan 0.000 0.479 481 N N -1.819 116.539 118.700 -0.570 0.000 2.273 481 N HA 0.039 4.778 4.740 -0.001 0.000 0.192 481 N C -0.664 174.824 175.510 -0.038 0.000 1.132 481 N CA 0.006 52.741 53.050 -0.525 0.000 0.887 481 N CB 0.986 39.361 38.487 -0.186 0.000 1.048 481 N HN 0.248 nan 8.380 nan 0.000 0.490 482 T N 0.205 114.843 114.554 0.140 0.000 2.876 482 T HA 0.613 4.962 4.350 -0.001 0.000 0.289 482 T C -1.521 173.428 174.700 0.415 0.000 1.014 482 T CA -0.713 61.608 62.100 0.369 0.000 0.986 482 T CB 2.501 71.517 68.868 0.247 0.000 1.021 482 T HN -0.049 nan 8.240 nan 0.000 0.458 483 V N 3.307 123.498 119.914 0.461 0.000 2.851 483 V HA 0.657 4.776 4.120 -0.001 0.000 0.307 483 V C -0.880 175.360 176.094 0.244 0.000 1.129 483 V CA -0.764 61.764 62.300 0.380 0.000 0.932 483 V CB 1.954 34.017 31.823 0.400 0.000 1.024 483 V HN 0.857 nan 8.190 nan 0.000 0.426 484 V N 5.729 125.700 119.914 0.096 0.000 2.644 484 V HA 0.638 4.758 4.120 -0.001 0.000 0.295 484 V C 0.192 176.233 176.094 -0.089 0.000 1.053 484 V CA -0.618 61.581 62.300 -0.168 0.000 0.987 484 V CB 1.292 32.627 31.823 -0.814 0.000 1.006 484 V HN 0.829 nan 8.190 nan 0.000 0.472 485 I N -0.041 120.475 120.570 -0.090 0.000 2.437 485 I HA 0.630 4.799 4.170 -0.001 0.000 0.298 485 I C -0.612 175.345 176.117 -0.267 0.000 0.984 485 I CA -0.416 60.870 61.300 -0.024 0.000 1.214 485 I CB 1.144 39.207 38.000 0.105 0.000 1.365 485 I HN 0.417 nan 8.210 nan 0.000 0.469 486 F N 3.937 123.904 119.950 0.028 0.000 2.380 486 F HA 0.491 5.017 4.527 -0.001 0.000 0.321 486 F C -1.968 173.741 175.800 -0.152 0.000 1.103 486 F CA -2.267 55.676 58.000 -0.094 0.000 1.067 486 F CB 0.269 39.231 39.000 -0.065 0.000 1.265 486 F HN 0.251 nan 8.300 nan 0.000 0.517 487 P HA -0.100 nan 4.420 nan 0.000 0.260 487 P C -1.114 176.162 177.300 -0.039 0.000 1.172 487 P CA 0.752 63.684 63.100 -0.280 0.000 0.760 487 P CB -0.215 31.200 31.700 -0.475 0.000 0.773 488 Y N 0.103 120.448 120.300 0.075 0.000 3.589 488 Y HA -0.178 4.372 4.550 -0.001 0.000 0.218 488 Y C 1.168 177.159 175.900 0.151 0.000 1.234 488 Y CA 1.325 59.492 58.100 0.112 0.000 1.576 488 Y CB -2.127 36.387 38.460 0.090 0.000 1.487 488 Y HN 0.543 nan 8.280 nan 0.000 0.616 489 G N -1.350 107.608 108.800 0.263 0.000 2.766 489 G HA2 0.674 4.633 3.960 -0.001 0.000 0.288 489 G HA3 0.674 4.633 3.960 -0.001 0.000 0.288 489 G C -0.896 174.180 174.900 0.293 0.000 1.408 489 G CA -0.582 44.669 45.100 0.251 0.000 0.852 489 G HN 0.414 nan 8.290 nan 0.000 0.487 490 W N -0.515 120.930 121.300 0.242 0.000 2.736 490 W HA 0.805 5.464 4.660 -0.001 0.000 0.355 490 W C -1.397 175.217 176.519 0.159 0.000 1.102 490 W CA -1.169 56.279 57.345 0.173 0.000 1.164 490 W CB 0.992 30.578 29.460 0.210 0.000 1.422 490 W HN 0.534 nan 8.180 nan 0.000 0.572 491 T N 1.458 116.158 114.554 0.244 0.000 2.916 491 T HA 0.609 4.958 4.350 -0.001 0.000 0.298 491 T C -0.903 173.831 174.700 0.057 0.000 1.031 491 T CA -0.351 61.740 62.100 -0.015 0.000 0.993 491 T CB 1.733 70.543 68.868 -0.096 0.000 1.045 491 T HN 0.644 nan 8.240 nan 0.000 0.454 492 A N 3.169 125.996 122.820 0.013 0.000 2.355 492 A HA 0.956 5.276 4.320 -0.001 0.000 0.317 492 A C -0.478 176.996 177.584 -0.182 0.000 1.094 492 A CA -0.861 51.110 52.037 -0.110 0.000 0.764 492 A CB 0.512 19.453 19.000 -0.098 0.000 1.230 492 A HN 0.939 nan 8.150 nan 0.000 0.448 493 I N -1.098 119.328 120.570 -0.239 0.000 3.042 493 I HA 0.885 5.054 4.170 -0.001 0.000 0.310 493 I C -0.548 175.495 176.117 -0.122 0.000 1.117 493 I CA -1.143 60.040 61.300 -0.196 0.000 1.003 493 I CB 2.244 39.930 38.000 -0.524 0.000 1.228 493 I HN 0.714 nan 8.210 nan 0.000 0.443 494 R N 2.708 123.260 120.500 0.086 0.000 2.673 494 R HA 0.735 5.074 4.340 -0.001 0.000 0.281 494 R C -1.980 174.572 176.300 0.420 0.000 0.991 494 R CA -0.448 55.721 56.100 0.115 0.000 0.896 494 R CB 2.113 32.458 30.300 0.075 0.000 1.201 494 R HN 0.788 nan 8.270 nan 0.000 0.457 495 F N 0.300 120.292 119.950 0.070 0.000 2.715 495 F HA 0.696 5.223 4.527 -0.001 0.000 0.318 495 F C -1.854 173.949 175.800 0.005 0.000 1.141 495 F CA -1.154 56.887 58.000 0.069 0.000 0.950 495 F CB 0.997 39.908 39.000 -0.148 0.000 1.374 495 F HN 0.073 nan 8.300 nan 0.000 0.477 496 V N 1.599 121.607 119.914 0.156 0.000 2.495 496 V HA 0.682 4.802 4.120 -0.001 0.000 0.298 496 V C 0.136 176.283 176.094 0.088 0.000 1.031 496 V CA -0.702 61.599 62.300 0.001 0.000 0.871 496 V CB 1.336 33.234 31.823 0.125 0.000 0.988 496 V HN 1.113 nan 8.190 nan 0.000 0.432 497 A N 3.330 126.100 122.820 -0.082 0.000 2.981 497 A HA 0.338 4.657 4.320 -0.001 0.000 0.280 497 A C 0.602 178.311 177.584 0.207 0.000 1.743 497 A CA 0.016 52.128 52.037 0.125 0.000 1.430 497 A CB -0.654 18.343 19.000 -0.005 0.000 1.085 497 A HN 0.919 nan 8.150 nan 0.000 0.597 498 D N -0.321 120.235 120.400 0.260 0.000 2.535 498 D HA 0.060 4.700 4.640 -0.001 0.000 0.229 498 D C -0.286 176.107 176.300 0.156 0.000 1.238 498 D CA -0.268 53.835 54.000 0.171 0.000 0.824 498 D CB -0.069 40.802 40.800 0.117 0.000 1.045 498 D HN 0.235 nan 8.370 nan 0.000 0.500 499 N N 1.292 120.121 118.700 0.214 0.000 2.531 499 N HA 0.324 5.063 4.740 -0.001 0.000 0.268 499 N C -2.971 172.776 175.510 0.395 0.000 1.023 499 N CA -1.961 51.196 53.050 0.178 0.000 0.896 499 N CB 1.859 40.277 38.487 -0.114 0.000 1.233 499 N HN -0.225 nan 8.380 nan 0.000 0.512 500 P HA 0.246 nan 4.420 nan 0.000 0.262 500 P C -0.038 177.367 177.300 0.175 0.000 1.199 500 P CA 0.446 63.679 63.100 0.221 0.000 0.763 500 P CB 0.458 32.240 31.700 0.136 0.000 0.790 501 G N 1.228 110.035 108.800 0.012 0.000 2.324 501 G HA2 0.308 4.267 3.960 -0.001 0.000 0.293 501 G HA3 0.308 4.267 3.960 -0.001 0.000 0.293 501 G C -1.908 172.604 174.900 -0.647 0.000 1.297 501 G CA -0.610 44.195 45.100 -0.490 0.000 0.853 501 G HN 0.270 nan 8.290 nan 0.000 0.535 502 V N 0.081 119.473 119.914 -0.870 0.000 2.448 502 V HA 0.752 4.871 4.120 -0.001 0.000 0.295 502 V C -1.005 174.706 176.094 -0.638 0.000 1.025 502 V CA -0.275 61.709 62.300 -0.527 0.000 0.859 502 V CB 1.131 32.776 31.823 -0.298 0.000 0.988 502 V HN 0.670 nan 8.190 nan 0.000 0.431 503 W N 2.412 123.757 121.300 0.074 0.000 2.883 503 W HA 0.787 5.446 4.660 -0.001 0.000 0.335 503 W C -0.002 176.480 176.519 -0.061 0.000 1.083 503 W CA -0.732 56.640 57.345 0.044 0.000 1.233 503 W CB 2.009 31.583 29.460 0.192 0.000 1.412 503 W HN 0.659 nan 8.180 nan 0.000 0.490 504 A N 2.775 125.571 122.820 -0.040 0.000 2.316 504 A HA 0.744 5.063 4.320 -0.001 0.000 0.284 504 A C -1.694 175.908 177.584 0.030 0.000 1.115 504 A CA -0.247 51.704 52.037 -0.143 0.000 0.812 504 A CB 0.550 19.305 19.000 -0.408 0.000 1.064 504 A HN 0.576 nan 8.150 nan 0.000 0.489 505 F N 3.151 123.013 119.950 -0.147 0.000 2.659 505 F HA 0.578 5.105 4.527 -0.001 0.000 0.342 505 F C -0.556 175.318 175.800 0.123 0.000 1.168 505 F CA -0.879 57.035 58.000 -0.143 0.000 1.003 505 F CB 1.010 39.639 39.000 -0.618 0.000 1.267 505 F HN 0.898 nan 8.300 nan 0.000 0.463 506 H N 2.033 121.015 119.070 -0.147 0.000 2.966 506 H HA 0.526 5.081 4.556 -0.001 0.000 0.330 506 H C -1.334 173.394 175.328 -1.001 0.000 1.292 506 H CA -1.375 54.346 56.048 -0.546 0.000 1.127 506 H CB 1.026 30.663 29.762 -0.208 0.000 1.863 506 H HN 0.611 nan 8.280 nan 0.000 0.543 507 C N 2.078 120.709 119.300 -1.115 0.000 2.566 507 C HA 0.113 4.572 4.460 -0.001 0.000 0.393 507 C C 1.304 176.155 174.990 -0.233 0.000 1.309 507 C CA -0.200 58.257 59.018 -0.935 0.000 1.801 507 C CB -1.337 25.921 27.740 -0.803 0.000 2.493 507 C HN 0.997 nan 8.230 nan 0.000 0.575 508 H N 4.540 123.482 119.070 -0.213 0.000 2.572 508 H HA 0.218 4.773 4.556 -0.001 0.000 0.278 508 H C 0.220 175.487 175.328 -0.100 0.000 1.050 508 H CA 0.639 56.674 56.048 -0.021 0.000 1.168 508 H CB 0.023 29.801 29.762 0.026 0.000 1.316 508 H HN 0.639 nan 8.280 nan 0.000 0.610 509 I N 1.510 121.968 120.570 -0.187 0.000 2.307 509 I HA -0.033 4.137 4.170 -0.001 0.000 0.289 509 I C 1.400 177.348 176.117 -0.281 0.000 1.021 509 I CA -0.297 60.838 61.300 -0.275 0.000 1.224 509 I CB 1.835 39.511 38.000 -0.541 0.000 1.376 509 I HN 0.037 nan 8.210 nan 0.000 0.470 510 E N 8.634 128.689 120.200 -0.243 0.000 2.070 510 E HA -0.169 4.181 4.350 -0.001 0.000 0.197 510 E C -0.793 175.716 176.600 -0.152 0.000 1.004 510 E CA 2.117 58.376 56.400 -0.236 0.000 0.805 510 E CB -0.821 28.727 29.700 -0.253 0.000 0.744 510 E HN 0.453 nan 8.360 nan 0.000 0.451 511 P HA -0.178 nan 4.420 nan 0.000 0.216 511 P C 0.849 178.312 177.300 0.272 0.000 1.150 511 P CA 1.704 64.828 63.100 0.040 0.000 0.837 511 P CB -0.262 31.441 31.700 0.004 0.000 0.786 512 H N -1.018 118.057 119.070 0.007 0.000 2.363 512 H HA -0.047 4.508 4.556 -0.001 0.000 0.301 512 H C 2.156 177.434 175.328 -0.085 0.000 1.074 512 H CA 0.300 56.273 56.048 -0.126 0.000 1.354 512 H CB -0.316 29.138 29.762 -0.514 0.000 1.397 512 H HN 0.016 nan 8.280 nan 0.000 0.516 513 L N 0.841 122.059 121.223 -0.008 0.000 2.046 513 L HA -0.201 4.138 4.340 -0.001 0.000 0.208 513 L C 2.307 179.176 176.870 -0.002 0.000 1.077 513 L CA 1.882 56.681 54.840 -0.067 0.000 0.747 513 L CB -0.764 41.185 42.059 -0.184 0.000 0.896 513 L HN 0.245 nan 8.230 nan 0.000 0.432 514 H N -0.975 118.069 119.070 -0.044 0.000 2.456 514 H HA -0.102 4.453 4.556 -0.001 0.000 0.296 514 H C 1.669 177.021 175.328 0.040 0.000 1.079 514 H CA 1.954 57.989 56.048 -0.022 0.000 1.322 514 H CB -0.051 29.686 29.762 -0.041 0.000 1.388 514 H HN 0.388 nan 8.280 nan 0.000 0.538 515 M N -0.869 118.813 119.600 0.137 0.000 2.453 515 M HA 0.185 4.665 4.480 -0.001 0.000 0.239 515 M C 1.101 177.488 176.300 0.144 0.000 1.151 515 M CA 0.639 56.038 55.300 0.165 0.000 0.989 515 M CB 1.121 33.962 32.600 0.402 0.000 1.548 515 M HN 0.550 nan 8.290 nan 0.000 0.479 516 G N 0.869 109.713 108.800 0.073 0.000 2.179 516 G HA2 -0.247 3.713 3.960 -0.001 0.000 0.220 516 G HA3 -0.247 3.713 3.960 -0.001 0.000 0.220 516 G C 0.224 175.185 174.900 0.102 0.000 0.990 516 G CA -0.372 44.772 45.100 0.074 0.000 0.646 516 G HN 0.455 nan 8.290 nan 0.000 0.517 517 M N 1.593 121.247 119.600 0.090 0.000 2.775 517 M HA 0.505 4.984 4.480 -0.001 0.000 0.313 517 M C 0.565 176.793 176.300 -0.120 0.000 1.429 517 M CA 1.137 56.446 55.300 0.014 0.000 1.494 517 M CB -0.448 32.071 32.600 -0.135 0.000 1.274 517 M HN 0.779 nan 8.290 nan 0.000 0.491 518 G N 2.352 111.164 108.800 0.021 0.000 2.387 518 G HA2 0.500 4.459 3.960 -0.001 0.000 0.294 518 G HA3 0.500 4.459 3.960 -0.001 0.000 0.294 518 G C -1.796 173.201 174.900 0.162 0.000 1.509 518 G CA -0.493 44.626 45.100 0.032 0.000 0.806 518 G HN 0.690 nan 8.290 nan 0.000 0.546 519 V N -2.666 117.355 119.914 0.179 0.000 3.160 519 V HA 0.942 5.061 4.120 -0.001 0.000 0.310 519 V C -0.621 175.543 176.094 0.117 0.000 1.181 519 V CA -1.194 61.239 62.300 0.221 0.000 1.047 519 V CB 1.607 33.656 31.823 0.376 0.000 1.068 519 V HN 1.027 nan 8.190 nan 0.000 0.441 520 V N 1.691 121.700 119.914 0.159 0.000 2.540 520 V HA 0.619 4.738 4.120 -0.001 0.000 0.302 520 V C -1.082 175.214 176.094 0.336 0.000 1.035 520 V CA -0.219 62.109 62.300 0.048 0.000 0.873 520 V CB 1.480 33.139 31.823 -0.272 0.000 0.992 520 V HN 0.716 nan 8.190 nan 0.000 0.428 521 F N 2.714 122.766 119.950 0.171 0.000 2.458 521 F HA 0.853 5.379 4.527 -0.001 0.000 0.336 521 F C 0.430 176.306 175.800 0.127 0.000 1.114 521 F CA -1.466 56.676 58.000 0.236 0.000 0.987 521 F CB 1.815 41.101 39.000 0.477 0.000 1.130 521 F HN 0.579 nan 8.300 nan 0.000 0.458 522 A N 3.632 126.557 122.820 0.175 0.000 2.386 522 A HA 0.798 5.118 4.320 -0.001 0.000 0.311 522 A C -0.912 176.767 177.584 0.159 0.000 1.068 522 A CA -0.557 51.532 52.037 0.085 0.000 0.743 522 A CB 1.729 20.696 19.000 -0.055 0.000 1.258 522 A HN 0.753 nan 8.150 nan 0.000 0.429 523 E N 0.802 121.137 120.200 0.227 0.000 2.352 523 E HA 0.495 4.844 4.350 -0.001 0.000 0.280 523 E C 0.291 177.005 176.600 0.190 0.000 0.930 523 E CA -0.524 56.029 56.400 0.256 0.000 0.765 523 E CB 1.165 31.116 29.700 0.417 0.000 1.219 523 E HN 2.043 nan 8.360 nan 0.000 0.434 524 G N 1.901 110.787 108.800 0.143 0.000 2.361 524 G HA2 -0.310 3.649 3.960 -0.001 0.000 0.294 524 G HA3 -0.310 3.649 3.960 -0.001 0.000 0.294 524 G C 0.775 175.722 174.900 0.078 0.000 1.004 524 G CA 0.589 45.754 45.100 0.108 0.000 0.870 524 G HN 0.416 nan 8.290 nan 0.000 0.510 525 V N 0.820 120.766 119.914 0.053 0.000 2.469 525 V HA -0.195 3.924 4.120 -0.001 0.000 0.251 525 V C 2.625 178.726 176.094 0.011 0.000 1.064 525 V CA 2.483 64.796 62.300 0.021 0.000 1.066 525 V CB -0.143 31.686 31.823 0.011 0.000 0.667 525 V HN 0.830 nan 8.190 nan 0.000 0.461 526 E N 0.045 120.254 120.200 0.016 0.000 2.526 526 E HA -0.163 4.187 4.350 -0.001 0.000 0.198 526 E C 1.318 177.925 176.600 0.012 0.000 1.091 526 E CA 0.664 57.065 56.400 0.002 0.000 0.880 526 E CB -0.136 29.568 29.700 0.007 0.000 0.873 526 E HN 0.431 nan 8.360 nan 0.000 0.527 527 K N 0.660 121.078 120.400 0.030 0.000 2.374 527 K HA 0.212 4.531 4.320 -0.001 0.000 0.202 527 K C 0.059 176.689 176.600 0.050 0.000 1.040 527 K CA -0.204 56.108 56.287 0.041 0.000 1.085 527 K CB 1.244 33.777 32.500 0.057 0.000 0.873 527 K HN -0.004 nan 8.250 nan 0.000 0.539 528 V N 1.431 121.371 119.914 0.044 0.000 2.555 528 V HA 0.129 4.249 4.120 -0.001 0.000 0.286 528 V C 1.404 177.535 176.094 0.062 0.000 1.044 528 V CA -0.070 62.272 62.300 0.069 0.000 1.026 528 V CB 1.030 32.885 31.823 0.055 0.000 0.981 528 V HN 0.297 nan 8.190 nan 0.000 0.480 529 G N 4.293 113.158 108.800 0.108 0.000 2.679 529 G HA2 0.182 4.141 3.960 -0.001 0.000 0.202 529 G HA3 0.182 4.141 3.960 -0.001 0.000 0.202 529 G C 0.175 175.112 174.900 0.062 0.000 1.566 529 G CA -0.554 44.596 45.100 0.083 0.000 1.074 529 G HN 0.658 nan 8.290 nan 0.000 0.564 530 R N -0.333 120.186 120.500 0.032 0.000 2.347 530 R HA 0.305 4.644 4.340 -0.001 0.000 0.304 530 R C -0.297 175.923 176.300 -0.133 0.000 1.072 530 R CA -0.218 55.864 56.100 -0.030 0.000 0.980 530 R CB 0.057 30.322 30.300 -0.059 0.000 0.986 530 R HN 0.292 nan 8.270 nan 0.000 0.448 531 I N 6.975 127.492 120.570 -0.088 0.000 2.396 531 I HA 0.252 4.421 4.170 -0.001 0.000 0.292 531 I C -1.797 174.166 176.117 -0.255 0.000 0.999 531 I CA -2.531 58.665 61.300 -0.172 0.000 1.310 531 I CB 1.502 39.551 38.000 0.082 0.000 1.404 531 I HN 0.472 nan 8.210 nan 0.000 0.496 532 P HA -0.016 nan 4.420 nan 0.000 0.262 532 P C 0.663 177.919 177.300 -0.073 0.000 1.182 532 P CA 0.262 63.182 63.100 -0.300 0.000 0.761 532 P CB 0.405 31.856 31.700 -0.415 0.000 0.795 533 T N 2.366 116.882 114.554 -0.063 0.000 2.737 533 T HA -0.204 4.145 4.350 -0.001 0.000 0.269 533 T C 1.470 176.199 174.700 0.049 0.000 1.040 533 T CA 1.427 63.522 62.100 -0.008 0.000 1.142 533 T CB -0.279 68.573 68.868 -0.027 0.000 0.861 533 T HN 0.469 nan 8.240 nan 0.000 0.456 534 K N 0.876 121.338 120.400 0.103 0.000 2.209 534 K HA 0.097 4.416 4.320 -0.001 0.000 0.204 534 K C 2.477 179.190 176.600 0.189 0.000 1.048 534 K CA 0.962 57.353 56.287 0.174 0.000 0.940 534 K CB -0.177 32.505 32.500 0.303 0.000 0.729 534 K HN 0.317 nan 8.250 nan 0.000 0.451 535 A N 0.215 123.194 122.820 0.264 0.000 2.119 535 A HA -0.054 4.266 4.320 -0.001 0.000 0.217 535 A C 1.693 179.350 177.584 0.122 0.000 1.153 535 A CA 0.986 53.149 52.037 0.210 0.000 0.692 535 A CB -0.020 19.179 19.000 0.331 0.000 0.799 535 A HN 0.090 nan 8.150 nan 0.000 0.458 536 L N -1.321 119.959 121.223 0.095 0.000 2.408 536 L HA 0.277 4.616 4.340 -0.001 0.000 0.215 536 L C 2.167 179.050 176.870 0.021 0.000 1.081 536 L CA 0.978 55.854 54.840 0.059 0.000 0.840 536 L CB -0.662 41.417 42.059 0.034 0.000 1.002 536 L HN 0.304 nan 8.230 nan 0.000 0.468 537 A N -0.424 122.411 122.820 0.025 0.000 2.088 537 A HA 0.199 4.519 4.320 -0.001 0.000 0.218 537 A C 0.591 178.179 177.584 0.006 0.000 1.420 537 A CA 0.441 52.484 52.037 0.011 0.000 1.371 537 A CB -1.785 17.229 19.000 0.024 0.000 0.788 537 A HN 0.514 nan 8.150 nan 0.000 0.575 538 c N -5.044 113.557 118.600 0.002 0.000 3.318 538 c HA 0.889 5.458 4.570 -0.001 0.000 0.322 538 c C 1.116 175.203 174.090 -0.004 0.000 1.398 538 c CA -0.243 56.086 56.329 -0.001 0.000 1.339 538 c CB 0.884 43.393 42.510 -0.002 0.000 1.668 538 c HN 2.091 nan 8.230 nan 0.000 0.462 539 G N 1.018 109.815 108.800 -0.006 0.000 2.594 539 G HA2 0.140 4.099 3.960 -0.001 0.000 0.297 539 G HA3 0.140 4.099 3.960 -0.001 0.000 0.297 539 G C 1.029 175.930 174.900 0.001 0.000 1.273 539 G CA 1.007 46.105 45.100 -0.004 0.000 0.974 539 G HN 2.426 nan 8.290 nan 0.000 0.552 540 G N -1.073 107.734 108.800 0.012 0.000 2.422 540 G HA2 0.044 4.003 3.960 -0.001 0.000 0.218 540 G HA3 0.044 4.003 3.960 -0.001 0.000 0.218 540 G C 2.008 176.914 174.900 0.009 0.000 1.146 540 G CA 2.651 47.765 45.100 0.023 0.000 0.769 540 G HN 1.761 nan 8.290 nan 0.000 0.547 541 T N 0.219 114.776 114.554 0.004 0.000 2.821 541 T HA 0.148 4.497 4.350 -0.001 0.000 0.267 541 T C 2.618 177.273 174.700 -0.076 0.000 1.046 541 T CA 1.512 63.589 62.100 -0.038 0.000 1.139 541 T CB -0.339 68.526 68.868 -0.005 0.000 0.871 541 T HN 0.318 nan 8.240 nan 0.000 0.454 542 A N 2.388 125.183 122.820 -0.042 0.000 1.855 542 A HA -0.024 4.296 4.320 -0.001 0.000 0.215 542 A C 2.313 179.872 177.584 -0.041 0.000 1.191 542 A CA 2.021 54.033 52.037 -0.042 0.000 0.613 542 A CB -0.716 18.271 19.000 -0.021 0.000 0.829 542 A HN 0.460 nan 8.150 nan 0.000 0.442 543 K N 0.632 121.016 120.400 -0.026 0.000 2.113 543 K HA -0.082 4.238 4.320 -0.001 0.000 0.208 543 K C 1.563 178.147 176.600 -0.027 0.000 1.047 543 K CA 2.254 58.530 56.287 -0.018 0.000 0.928 543 K CB -0.447 32.051 32.500 -0.004 0.000 0.716 543 K HN 0.359 nan 8.250 nan 0.000 0.446 544 S N -0.530 115.146 115.700 -0.040 0.000 2.556 544 S HA 0.181 4.651 4.470 -0.001 0.000 0.216 544 S C 0.780 175.323 174.600 -0.094 0.000 0.970 544 S CA 0.001 58.172 58.200 -0.049 0.000 0.912 544 S CB 0.199 63.381 63.200 -0.030 0.000 0.790 544 S HN 0.133 nan 8.310 nan 0.000 0.504 545 L N 0.253 121.406 121.223 -0.117 0.000 2.803 545 L HA 0.468 4.807 4.340 -0.001 0.000 0.246 545 L C 0.074 176.891 176.870 -0.089 0.000 1.100 545 L CA 0.429 55.181 54.840 -0.146 0.000 0.919 545 L CB 0.165 42.081 42.059 -0.237 0.000 1.285 545 L HN 0.207 nan 8.230 nan 0.000 0.522 546 I N 1.231 121.763 120.570 -0.063 0.000 2.379 546 I HA 0.001 4.170 4.170 -0.001 0.000 0.290 546 I C 0.520 176.617 176.117 -0.032 0.000 1.063 546 I CA 0.186 61.461 61.300 -0.042 0.000 1.351 546 I CB 0.316 38.298 38.000 -0.031 0.000 1.410 546 I HN 0.224 nan 8.210 nan 0.000 0.505 547 N N 6.356 125.040 118.700 -0.028 0.000 2.399 547 N HA 0.022 4.761 4.740 -0.001 0.000 0.259 547 N C -0.507 174.995 175.510 -0.014 0.000 1.160 547 N CA 0.004 53.043 53.050 -0.019 0.000 0.946 547 N CB 0.328 38.805 38.487 -0.017 0.000 1.156 547 N HN 0.530 nan 8.380 nan 0.000 0.489 548 N N 4.945 123.638 118.700 -0.012 0.000 2.726 548 N HA 0.278 5.018 4.740 -0.001 0.000 0.253 548 N C -2.583 172.923 175.510 -0.007 0.000 1.530 548 N CA -1.208 51.837 53.050 -0.009 0.000 0.772 548 N CB 0.738 39.220 38.487 -0.009 0.000 1.220 548 N HN 0.450 nan 8.380 nan 0.000 0.508 549 P HA 0.308 nan 4.420 nan 0.000 0.275 549 P C -0.989 176.309 177.300 -0.003 0.000 1.266 549 P CA -0.106 62.992 63.100 -0.004 0.000 0.793 549 P CB 0.832 32.531 31.700 -0.003 0.000 1.074 550 K N 0.894 121.292 120.400 -0.002 0.000 2.345 550 K HA 0.252 4.571 4.320 -0.001 0.000 0.255 550 K C 0.080 176.679 176.600 -0.002 0.000 0.934 550 K CA -0.607 55.679 56.287 -0.002 0.000 0.801 550 K CB 1.230 33.729 32.500 -0.002 0.000 1.137 550 K HN 0.780 nan 8.250 nan 0.000 0.424 551 N N -0.723 117.977 118.700 -0.002 0.000 2.925 551 N HA -0.157 4.582 4.740 -0.001 0.000 0.244 551 N C -2.091 173.418 175.510 -0.001 0.000 1.000 551 N CA 0.792 53.841 53.050 -0.001 0.000 0.895 551 N CB -2.384 36.102 38.487 -0.001 0.000 1.119 551 N HN 0.718 nan 8.380 nan 0.000 0.569 552 P HA 0.000 nan 4.420 nan 0.000 0.216 552 P CA 0.000 63.099 63.100 -0.002 0.000 0.800 552 P CB 0.000 31.699 31.700 -0.002 0.000 0.726