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 1u3c_1_A DATA FIRST_RESID 13 DATA SEQUENCE CSIVWFRRDL RVEDNPALAA AVRAGPVIAL FVWAPEEEGH YHPGRVSRWW DATA SEQUENCE LKNSLAQLDS SLRSLGTcLI TKRSTDSVAS LLDVVKSTGA SQIFFNHLYD DATA SEQUENCE PLSLVRDHRA KDVLTAQGIA VRSFNADLLY EPWEVTDELG RPFSMFAAFW DATA SEQUENCE ERCLSMPYDP ESPLLPPKKI ISGDVSKcVA DPLVFEDDSE KGSNALLARA DATA SEQUENCE WSPGWSNGDK ALTTFINGPL LEYSKNRRKA DSATTSFLSP HLHFGEVSVR DATA SEQUENCE KVFHLVRIKQ VAWANEGNEA GEESVNLFLK SIGLREYSRY ISFNHPYSHE DATA SEQUENCE RPLLGHLKFF PWAVDENYFK AWRQGRTGYP LVDAGMRELW ATGWLHDRIR DATA SEQUENCE VVVSSFFVKV LQLPWRWGMK YFWDTLLDAD LESDALGWQY ITGTLPDSRE DATA SEQUENCE FDRIDNPQFE GYKFDPNGEY VRRWLPELSR LPTDWIHHPW NAPESVLQAA DATA SEQUENCE GIELGSNYPL PIVGLDEAKA RLHEALSQMW QLEAA 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 13 C HA 0.000 nan 4.460 nan 0.000 0.325 13 C C 0.000 175.055 174.990 0.108 0.000 1.270 13 C CA 0.000 59.062 59.018 0.074 0.000 1.963 13 C CB 0.000 27.777 27.740 0.061 0.000 2.134 14 S N 4.526 120.307 115.700 0.135 0.000 2.572 14 S HA 0.666 5.136 4.470 0.000 0.000 0.274 14 S C -1.204 173.528 174.600 0.219 0.000 1.150 14 S CA -0.570 57.766 58.200 0.226 0.000 0.944 14 S CB 1.234 64.625 63.200 0.318 0.000 1.071 14 S HN 0.725 nan 8.310 nan 0.000 0.479 15 I N 2.566 123.287 120.570 0.252 0.000 2.336 15 I HA 0.346 4.516 4.170 0.000 0.000 0.292 15 I C -0.770 175.534 176.117 0.312 0.000 0.991 15 I CA -0.888 60.549 61.300 0.229 0.000 1.227 15 I CB 1.515 39.610 38.000 0.157 0.000 1.366 15 I HN 0.415 nan 8.210 nan 0.000 0.466 16 V N 6.642 126.702 119.914 0.244 0.000 2.333 16 V HA 0.130 4.250 4.120 0.000 0.000 0.274 16 V C -0.622 175.619 176.094 0.246 0.000 1.028 16 V CA -0.503 61.903 62.300 0.177 0.000 0.851 16 V CB 1.061 32.856 31.823 -0.046 0.000 1.000 16 V HN 0.621 nan 8.190 nan 0.000 0.456 17 W N 7.690 129.037 121.300 0.078 0.000 2.317 17 W HA 0.572 5.232 4.660 0.000 0.000 0.327 17 W C -0.799 175.784 176.519 0.107 0.000 1.036 17 W CA -2.100 55.315 57.345 0.117 0.000 1.419 17 W CB 0.376 29.891 29.460 0.092 0.000 1.253 17 W HN 0.399 nan 8.180 nan 0.000 0.392 18 F N 6.051 126.214 119.950 0.356 0.000 2.412 18 F HA 0.287 4.814 4.527 0.000 0.000 0.348 18 F C 1.149 177.043 175.800 0.157 0.000 1.102 18 F CA 0.156 58.308 58.000 0.253 0.000 1.196 18 F CB 1.044 40.269 39.000 0.376 0.000 1.144 18 F HN 0.313 nan 8.300 nan 0.000 0.541 19 R N 1.012 121.672 120.500 0.266 0.000 3.901 19 R HA 0.343 4.683 4.340 0.000 0.000 0.145 19 R C -0.142 176.412 176.300 0.423 0.000 1.166 19 R CA -0.192 56.025 56.100 0.195 0.000 1.031 19 R CB 0.294 30.467 30.300 -0.210 0.000 1.380 19 R HN 0.387 nan 8.270 nan 0.000 0.464 20 R N 1.776 122.443 120.500 0.278 0.000 2.701 20 R HA 0.182 4.522 4.340 0.000 0.000 0.281 20 R C -1.207 175.238 176.300 0.242 0.000 1.367 20 R CA 0.072 56.348 56.100 0.294 0.000 1.510 20 R CB 0.979 31.331 30.300 0.087 0.000 1.306 20 R HN 0.318 nan 8.270 nan 0.000 0.682 21 D N -0.043 120.546 120.400 0.315 0.000 3.007 21 D HA 0.009 4.649 4.640 0.000 0.000 0.363 21 D C -0.169 176.361 176.300 0.384 0.000 1.474 21 D CA -0.551 53.624 54.000 0.293 0.000 0.767 21 D CB 0.186 41.126 40.800 0.234 0.000 1.227 21 D HN -0.004 nan 8.370 nan 0.000 0.471 22 L N 2.055 123.469 121.223 0.318 0.000 2.530 22 L HA 0.206 4.546 4.340 0.000 0.000 0.247 22 L C 0.758 177.736 176.870 0.180 0.000 1.416 22 L CA 0.581 55.530 54.840 0.182 0.000 1.202 22 L CB -1.582 40.531 42.059 0.089 0.000 1.415 22 L HN 0.323 nan 8.230 nan 0.000 0.443 23 R N -1.119 119.476 120.500 0.159 0.000 2.692 23 R HA 0.563 4.903 4.340 0.000 0.000 0.269 23 R C 0.028 176.259 176.300 -0.116 0.000 1.030 23 R CA -0.608 55.474 56.100 -0.029 0.000 0.882 23 R CB 1.058 31.392 30.300 0.056 0.000 1.250 23 R HN -0.145 nan 8.270 nan 0.000 0.465 24 V N -3.076 116.564 119.914 -0.456 0.000 3.565 24 V HA 0.217 4.337 4.120 0.000 0.000 0.260 24 V C 0.632 176.545 176.094 -0.302 0.000 1.231 24 V CA 0.520 62.624 62.300 -0.327 0.000 1.100 24 V CB -0.115 31.459 31.823 -0.414 0.000 0.807 24 V HN 0.797 nan 8.190 nan 0.000 0.454 25 E N 1.378 121.363 120.200 -0.358 0.000 2.266 25 E HA 0.179 4.529 4.350 0.000 0.000 0.277 25 E C -0.117 176.412 176.600 -0.118 0.000 1.018 25 E CA -0.163 56.103 56.400 -0.223 0.000 0.840 25 E CB 0.777 30.354 29.700 -0.205 0.000 1.082 25 E HN 0.381 nan 8.360 nan 0.000 0.395 26 D N 2.732 123.076 120.400 -0.094 0.000 2.740 26 D HA -0.243 4.397 4.640 0.000 0.000 0.231 26 D C -1.283 174.982 176.300 -0.059 0.000 1.194 26 D CA 0.687 54.648 54.000 -0.065 0.000 0.673 26 D CB -0.995 39.788 40.800 -0.028 0.000 0.995 26 D HN 0.387 nan 8.370 nan 0.000 0.411 27 N N 1.121 119.763 118.700 -0.096 0.000 2.696 27 N HA 0.311 5.051 4.740 0.000 0.000 0.246 27 N C -1.996 173.387 175.510 -0.213 0.000 1.057 27 N CA -2.091 50.897 53.050 -0.103 0.000 0.867 27 N CB 1.455 39.903 38.487 -0.065 0.000 1.141 27 N HN -0.016 nan 8.380 nan 0.000 0.517 28 P HA -0.178 nan 4.420 nan 0.000 0.215 28 P C 1.027 177.793 177.300 -0.890 0.000 1.163 28 P CA 1.846 64.648 63.100 -0.496 0.000 0.894 28 P CB 0.290 31.782 31.700 -0.347 0.000 0.791 29 A N -0.845 121.555 122.820 -0.700 0.000 1.865 29 A HA -0.218 4.102 4.320 0.000 0.000 0.217 29 A C 2.200 179.489 177.584 -0.491 0.000 1.191 29 A CA 1.889 53.611 52.037 -0.525 0.000 0.623 29 A CB -1.752 17.212 19.000 -0.060 0.000 0.826 29 A HN 0.175 nan 8.150 nan 0.000 0.444 30 L N -0.140 120.852 121.223 -0.384 0.000 1.989 30 L HA -0.128 4.212 4.340 0.000 0.000 0.211 30 L C 2.711 179.371 176.870 -0.349 0.000 1.071 30 L CA 2.482 57.133 54.840 -0.314 0.000 0.749 30 L CB -0.953 41.002 42.059 -0.173 0.000 0.890 30 L HN 0.367 nan 8.230 nan 0.000 0.431 31 A N -0.709 121.905 122.820 -0.343 0.000 1.978 31 A HA -0.130 4.190 4.320 0.000 0.000 0.220 31 A C 2.410 179.772 177.584 -0.370 0.000 1.170 31 A CA 1.934 53.789 52.037 -0.303 0.000 0.636 31 A CB -1.122 17.723 19.000 -0.259 0.000 0.810 31 A HN 0.616 nan 8.150 nan 0.000 0.448 32 A N -0.415 122.073 122.820 -0.554 0.000 1.929 32 A HA 0.278 4.598 4.320 0.000 0.000 0.216 32 A C 2.463 179.547 177.584 -0.833 0.000 1.176 32 A CA 1.723 53.424 52.037 -0.561 0.000 0.628 32 A CB -0.848 17.855 19.000 -0.496 0.000 0.816 32 A HN 0.956 nan 8.150 nan 0.000 0.444 33 A N -0.472 121.669 122.820 -1.131 0.000 1.873 33 A HA 0.007 4.327 4.320 0.000 0.000 0.215 33 A C 2.199 179.560 177.584 -0.371 0.000 1.186 33 A CA 1.689 53.169 52.037 -0.928 0.000 0.616 33 A CB -1.001 17.627 19.000 -0.619 0.000 0.823 33 A HN 0.357 nan 8.150 nan 0.000 0.442 34 V N 0.075 119.820 119.914 -0.283 0.000 2.332 34 V HA -0.282 3.838 4.120 0.000 0.000 0.248 34 V C 2.646 178.667 176.094 -0.123 0.000 1.055 34 V CA 2.269 64.477 62.300 -0.154 0.000 1.038 34 V CB -0.789 30.957 31.823 -0.128 0.000 0.651 34 V HN 0.519 nan 8.190 nan 0.000 0.450 35 R N -0.488 119.923 120.500 -0.149 0.000 2.127 35 R HA -0.168 4.172 4.340 0.000 0.000 0.238 35 R C 2.291 178.566 176.300 -0.042 0.000 1.134 35 R CA 1.539 57.588 56.100 -0.085 0.000 0.975 35 R CB -0.380 29.872 30.300 -0.082 0.000 0.865 35 R HN 0.567 nan 8.270 nan 0.000 0.447 36 A N -0.109 122.682 122.820 -0.050 0.000 1.970 36 A HA 0.207 4.527 4.320 0.000 0.000 0.216 36 A C 0.922 178.532 177.584 0.044 0.000 1.170 36 A CA 1.360 53.417 52.037 0.034 0.000 0.645 36 A CB 0.151 19.224 19.000 0.122 0.000 0.816 36 A HN 0.480 nan 8.150 nan 0.000 0.447 37 G N -2.594 106.217 108.800 0.018 0.000 2.337 37 G HA2 0.383 4.343 3.960 0.000 0.000 0.298 37 G HA3 0.383 4.343 3.960 0.000 0.000 0.298 37 G C -3.488 171.425 174.900 0.022 0.000 1.335 37 G CA -0.509 44.609 45.100 0.029 0.000 0.875 37 G HN 0.003 nan 8.290 nan 0.000 0.579 38 P HA 0.394 nan 4.420 nan 0.000 0.270 38 P C -0.226 177.100 177.300 0.042 0.000 1.221 38 P CA -0.248 62.869 63.100 0.029 0.000 0.788 38 P CB 0.769 32.489 31.700 0.033 0.000 0.904 39 V N 1.850 121.790 119.914 0.043 0.000 2.960 39 V HA 0.470 4.590 4.120 0.000 0.000 0.315 39 V C 0.075 176.221 176.094 0.087 0.000 1.087 39 V CA -0.595 61.743 62.300 0.064 0.000 0.982 39 V CB 2.033 33.882 31.823 0.043 0.000 1.039 39 V HN 0.330 nan 8.190 nan 0.000 0.437 40 I N 2.378 123.018 120.570 0.116 0.000 2.448 40 I HA 0.542 4.712 4.170 0.000 0.000 0.281 40 I C 0.236 176.466 176.117 0.187 0.000 1.027 40 I CA -0.526 60.852 61.300 0.130 0.000 1.111 40 I CB 1.643 39.711 38.000 0.113 0.000 1.236 40 I HN 0.696 nan 8.210 nan 0.000 0.452 41 A N 7.163 130.117 122.820 0.225 0.000 2.396 41 A HA 0.570 4.890 4.320 0.000 0.000 0.279 41 A C -0.791 177.018 177.584 0.375 0.000 1.165 41 A CA -0.064 52.197 52.037 0.372 0.000 0.824 41 A CB 0.324 19.558 19.000 0.391 0.000 1.100 41 A HN 0.605 nan 8.150 nan 0.000 0.516 42 L N 3.072 124.576 121.223 0.469 0.000 2.362 42 L HA 0.865 5.205 4.340 0.000 0.000 0.271 42 L C -1.200 176.046 176.870 0.627 0.000 1.002 42 L CA -0.602 54.496 54.840 0.429 0.000 0.818 42 L CB 1.657 43.882 42.059 0.277 0.000 1.298 42 L HN 0.605 nan 8.230 nan 0.000 0.420 43 F N 4.792 124.965 119.950 0.373 0.000 2.557 43 F HA 0.728 5.256 4.527 0.000 0.000 0.316 43 F C -1.499 174.524 175.800 0.371 0.000 1.141 43 F CA -0.617 57.632 58.000 0.416 0.000 0.922 43 F CB 1.838 41.013 39.000 0.291 0.000 1.194 43 F HN 0.197 nan 8.300 nan 0.000 0.443 44 V N 6.279 126.022 119.914 -0.284 0.000 2.409 44 V HA 0.180 4.300 4.120 0.000 0.000 0.291 44 V C -1.024 174.969 176.094 -0.168 0.000 1.020 44 V CA -0.712 61.534 62.300 -0.091 0.000 0.848 44 V CB 1.834 33.666 31.823 0.016 0.000 0.990 44 V HN 0.860 nan 8.190 nan 0.000 0.430 45 W N 6.286 127.528 121.300 -0.097 0.000 2.311 45 W HA 0.663 5.323 4.660 0.000 0.000 0.317 45 W C -0.296 176.240 176.519 0.029 0.000 1.065 45 W CA -0.776 56.601 57.345 0.054 0.000 1.364 45 W CB 1.419 31.022 29.460 0.239 0.000 1.233 45 W HN 0.617 nan 8.180 nan 0.000 0.409 46 A N 9.325 131.941 122.820 -0.340 0.000 3.317 46 A HA 0.273 4.593 4.320 0.000 0.000 0.307 46 A C -1.579 175.689 177.584 -0.525 0.000 1.003 46 A CA -1.064 50.754 52.037 -0.366 0.000 0.882 46 A CB 0.490 19.399 19.000 -0.152 0.000 1.136 46 A HN 0.473 nan 8.150 nan 0.000 0.488 47 P HA -0.236 nan 4.420 nan 0.000 0.214 47 P C 1.103 177.922 177.300 -0.801 0.000 1.163 47 P CA 1.693 64.291 63.100 -0.837 0.000 0.883 47 P CB 0.106 31.238 31.700 -0.947 0.000 0.788 48 E N 0.802 120.570 120.200 -0.720 0.000 2.301 48 E HA -0.253 4.097 4.350 0.000 0.000 0.202 48 E C 1.837 178.445 176.600 0.014 0.000 1.017 48 E CA 1.236 57.444 56.400 -0.320 0.000 0.831 48 E CB -1.162 28.475 29.700 -0.105 0.000 0.742 48 E HN 0.475 nan 8.360 nan 0.000 0.491 49 E N 0.665 120.816 120.200 -0.082 0.000 2.347 49 E HA -0.120 4.230 4.350 0.000 0.000 0.196 49 E C 1.046 177.694 176.600 0.081 0.000 1.008 49 E CA 0.405 56.806 56.400 0.002 0.000 0.852 49 E CB 0.245 29.920 29.700 -0.041 0.000 0.783 49 E HN 0.163 nan 8.360 nan 0.000 0.505 50 E N -0.096 120.191 120.200 0.144 0.000 2.476 50 E HA 0.070 4.420 4.350 0.000 0.000 0.191 50 E C 1.067 177.872 176.600 0.342 0.000 1.064 50 E CA 0.523 57.083 56.400 0.266 0.000 0.866 50 E CB 0.340 30.241 29.700 0.334 0.000 0.952 50 E HN 0.393 nan 8.360 nan 0.000 0.492 51 G N 1.941 110.931 108.800 0.316 0.000 2.596 51 G HA2 -0.439 3.521 3.960 0.000 0.000 0.304 51 G HA3 -0.439 3.521 3.960 0.000 0.000 0.304 51 G C 0.798 175.634 174.900 -0.107 0.000 1.189 51 G CA 0.816 46.015 45.100 0.164 0.000 0.986 51 G HN 0.494 nan 8.290 nan 0.000 0.548 52 H N 0.424 119.350 119.070 -0.240 0.000 2.551 52 H HA 0.331 4.887 4.556 0.000 0.000 0.266 52 H C 1.010 175.909 175.328 -0.715 0.000 0.977 52 H CA 1.021 56.746 56.048 -0.538 0.000 1.163 52 H CB -0.042 29.343 29.762 -0.629 0.000 1.381 52 H HN 0.450 nan 8.280 nan 0.000 0.581 53 Y N 0.264 120.481 120.300 -0.139 0.000 2.764 53 Y HA 0.222 4.772 4.550 0.000 0.000 0.350 53 Y C -0.101 175.981 175.900 0.304 0.000 0.982 53 Y CA -0.673 57.295 58.100 -0.220 0.000 1.431 53 Y CB -0.505 37.534 38.460 -0.701 0.000 1.326 53 Y HN 0.244 nan 8.280 nan 0.000 0.550 54 H N 0.680 119.990 119.070 0.401 0.000 2.707 54 H HA 0.126 4.682 4.556 0.000 0.000 0.359 54 H C -2.094 173.610 175.328 0.627 0.000 1.113 54 H CA -2.118 54.173 56.048 0.404 0.000 1.422 54 H CB 0.512 30.404 29.762 0.217 0.000 1.443 54 H HN 0.141 nan 8.280 nan 0.000 0.591 55 P HA -0.051 nan 4.420 nan 0.000 0.264 55 P C 0.280 177.723 177.300 0.238 0.000 1.183 55 P CA 0.207 63.549 63.100 0.403 0.000 0.763 55 P CB 0.583 32.650 31.700 0.612 0.000 0.807 56 G N 2.134 110.888 108.800 -0.076 0.000 2.580 56 G HA2 0.095 4.055 3.960 0.000 0.000 0.278 56 G HA3 0.095 4.055 3.960 0.000 0.000 0.278 56 G C 0.991 175.919 174.900 0.046 0.000 1.212 56 G CA -0.488 44.589 45.100 -0.038 0.000 0.939 56 G HN 0.472 nan 8.290 nan 0.000 0.513 57 R N -1.123 119.406 120.500 0.048 0.000 2.122 57 R HA -0.195 4.146 4.340 0.000 0.000 0.236 57 R C 2.654 179.013 176.300 0.097 0.000 1.129 57 R CA 2.886 59.036 56.100 0.083 0.000 0.925 57 R CB -0.751 29.572 30.300 0.038 0.000 0.850 57 R HN 0.518 nan 8.270 nan 0.000 0.431 58 V N -1.763 118.163 119.914 0.020 0.000 2.515 58 V HA -0.132 3.988 4.120 0.000 0.000 0.250 58 V C 2.207 178.400 176.094 0.164 0.000 1.058 58 V CA 2.217 64.558 62.300 0.069 0.000 1.064 58 V CB -0.653 31.134 31.823 -0.060 0.000 0.675 58 V HN 0.389 nan 8.190 nan 0.000 0.461 59 S N 0.128 115.856 115.700 0.046 0.000 2.368 59 S HA -0.139 4.331 4.470 0.000 0.000 0.224 59 S C 2.203 176.932 174.600 0.215 0.000 1.029 59 S CA 1.721 59.977 58.200 0.093 0.000 0.988 59 S CB -0.368 62.765 63.200 -0.112 0.000 0.838 59 S HN 0.683 nan 8.310 nan 0.000 0.462 60 R N -0.936 119.670 120.500 0.177 0.000 2.096 60 R HA -0.122 4.218 4.340 0.000 0.000 0.235 60 R C 2.089 178.334 176.300 -0.092 0.000 1.127 60 R CA 1.620 57.775 56.100 0.093 0.000 0.968 60 R CB -0.438 30.032 30.300 0.283 0.000 0.861 60 R HN 0.613 nan 8.270 nan 0.000 0.440 61 W N 0.676 121.935 121.300 -0.069 0.000 2.363 61 W HA -0.222 4.438 4.660 0.000 0.000 0.296 61 W C 1.961 178.368 176.519 -0.188 0.000 1.212 61 W CA 0.918 58.196 57.345 -0.113 0.000 1.260 61 W CB -0.296 29.130 29.460 -0.057 0.000 1.131 61 W HN 0.196 nan 8.180 nan 0.000 0.530 62 W N 0.750 121.876 121.300 -0.289 0.000 2.379 62 W HA -0.214 4.446 4.660 0.000 0.000 0.307 62 W C 2.062 178.102 176.519 -0.797 0.000 1.200 62 W CA 1.731 58.763 57.345 -0.521 0.000 1.297 62 W CB -1.040 28.343 29.460 -0.129 0.000 1.140 62 W HN -0.021 nan 8.180 nan 0.000 0.507 63 L N 2.273 123.146 121.223 -0.585 0.000 2.012 63 L HA -0.215 4.125 4.340 0.000 0.000 0.210 63 L C 2.662 178.822 176.870 -1.183 0.000 1.073 63 L CA 2.829 57.031 54.840 -1.065 0.000 0.748 63 L CB -1.297 40.172 42.059 -0.982 0.000 0.891 63 L HN -0.039 nan 8.230 nan 0.000 0.431 64 K N -0.765 118.843 120.400 -1.320 0.000 2.044 64 K HA -0.232 4.088 4.320 0.000 0.000 0.210 64 K C 1.900 178.032 176.600 -0.780 0.000 1.049 64 K CA 1.998 57.625 56.287 -1.101 0.000 0.927 64 K CB -0.251 31.826 32.500 -0.705 0.000 0.713 64 K HN 0.483 nan 8.250 nan 0.000 0.443 65 N N 0.185 118.342 118.700 -0.906 0.000 2.270 65 N HA -0.113 4.627 4.740 0.000 0.000 0.181 65 N C 1.860 176.954 175.510 -0.693 0.000 1.016 65 N CA 1.086 53.649 53.050 -0.812 0.000 0.870 65 N CB -0.038 37.796 38.487 -1.087 0.000 0.979 65 N HN 0.245 nan 8.380 nan 0.000 0.431 66 S N 1.213 116.457 115.700 -0.760 0.000 2.368 66 S HA 0.042 4.512 4.470 0.000 0.000 0.224 66 S C 2.055 176.385 174.600 -0.449 0.000 1.029 66 S CA 0.520 58.389 58.200 -0.550 0.000 0.988 66 S CB -0.155 62.749 63.200 -0.493 0.000 0.838 66 S HN 0.201 nan 8.310 nan 0.000 0.462 67 L N 0.962 121.849 121.223 -0.561 0.000 2.191 67 L HA -0.044 4.296 4.340 0.000 0.000 0.212 67 L C 2.890 179.552 176.870 -0.348 0.000 1.103 67 L CA 1.033 55.573 54.840 -0.500 0.000 0.769 67 L CB -0.637 41.048 42.059 -0.623 0.000 0.908 67 L HN 0.438 nan 8.230 nan 0.000 0.438 68 A N -0.454 122.163 122.820 -0.339 0.000 1.873 68 A HA -0.264 4.056 4.320 0.000 0.000 0.215 68 A C 2.246 179.711 177.584 -0.198 0.000 1.186 68 A CA 1.624 53.515 52.037 -0.243 0.000 0.616 68 A CB -0.491 18.358 19.000 -0.251 0.000 0.823 68 A HN 0.443 nan 8.150 nan 0.000 0.442 69 Q N -0.929 118.735 119.800 -0.227 0.000 2.124 69 Q HA -0.169 4.171 4.340 0.000 0.000 0.202 69 Q C 1.963 177.940 176.000 -0.039 0.000 0.977 69 Q CA 1.608 57.313 55.803 -0.164 0.000 0.850 69 Q CB -0.236 28.354 28.738 -0.247 0.000 0.901 69 Q HN 0.539 nan 8.270 nan 0.000 0.429 70 L N 1.093 122.273 121.223 -0.072 0.000 2.017 70 L HA -0.194 4.146 4.340 0.000 0.000 0.208 70 L C 1.879 178.692 176.870 -0.097 0.000 1.073 70 L CA 2.491 57.296 54.840 -0.058 0.000 0.745 70 L CB -0.765 41.145 42.059 -0.248 0.000 0.894 70 L HN 0.293 nan 8.230 nan 0.000 0.432 71 D N -1.307 119.013 120.400 -0.134 0.000 2.092 71 D HA -0.246 4.394 4.640 0.000 0.000 0.193 71 D C 2.347 178.621 176.300 -0.043 0.000 0.994 71 D CA 1.598 55.543 54.000 -0.093 0.000 0.828 71 D CB -0.236 40.509 40.800 -0.092 0.000 0.963 71 D HN 0.411 nan 8.370 nan 0.000 0.450 72 S N -1.186 114.491 115.700 -0.039 0.000 2.383 72 S HA -0.166 4.304 4.470 0.000 0.000 0.229 72 S C 2.144 176.764 174.600 0.033 0.000 1.030 72 S CA 1.808 60.000 58.200 -0.013 0.000 1.002 72 S CB -0.483 62.697 63.200 -0.033 0.000 0.829 72 S HN 0.253 nan 8.310 nan 0.000 0.467 73 S N 1.131 116.883 115.700 0.087 0.000 2.345 73 S HA 0.057 4.527 4.470 0.000 0.000 0.220 73 S C 1.791 176.421 174.600 0.051 0.000 1.031 73 S CA 1.413 59.701 58.200 0.146 0.000 0.996 73 S CB -0.537 62.837 63.200 0.291 0.000 0.882 73 S HN 0.504 nan 8.310 nan 0.000 0.445 74 L N 1.050 122.280 121.223 0.011 0.000 2.043 74 L HA -0.200 4.140 4.340 0.000 0.000 0.212 74 L C 2.714 179.592 176.870 0.014 0.000 1.075 74 L CA 1.460 56.303 54.840 0.005 0.000 0.752 74 L CB -0.567 41.491 42.059 -0.002 0.000 0.891 74 L HN 0.258 nan 8.230 nan 0.000 0.432 75 R N -0.544 119.963 120.500 0.012 0.000 2.091 75 R HA -0.136 4.204 4.340 0.000 0.000 0.238 75 R C 2.478 178.787 176.300 0.015 0.000 1.136 75 R CA 1.600 57.707 56.100 0.012 0.000 0.959 75 R CB -0.487 29.817 30.300 0.006 0.000 0.856 75 R HN 0.245 nan 8.270 nan 0.000 0.437 76 S N 1.004 116.716 115.700 0.021 0.000 2.420 76 S HA -0.074 4.396 4.470 0.000 0.000 0.237 76 S C 1.669 176.279 174.600 0.016 0.000 1.023 76 S CA 1.016 59.230 58.200 0.024 0.000 0.991 76 S CB -0.045 63.180 63.200 0.043 0.000 0.792 76 S HN 0.249 nan 8.310 nan 0.000 0.488 77 L N -0.350 120.880 121.223 0.012 0.000 2.607 77 L HA 0.308 4.648 4.340 0.000 0.000 0.228 77 L C 1.693 178.566 176.870 0.004 0.000 1.123 77 L CA 0.432 55.273 54.840 0.002 0.000 0.890 77 L CB 0.114 42.167 42.059 -0.010 0.000 1.103 77 L HN 0.483 nan 8.230 nan 0.000 0.468 78 G N -0.701 108.105 108.800 0.010 0.000 2.336 78 G HA2 -0.210 3.750 3.960 0.000 0.000 0.194 78 G HA3 -0.210 3.750 3.960 0.000 0.000 0.194 78 G C 0.313 175.225 174.900 0.020 0.000 0.999 78 G CA 0.074 45.181 45.100 0.013 0.000 0.669 78 G HN 0.229 nan 8.290 nan 0.000 0.482 79 T N 0.019 114.589 114.554 0.027 0.000 2.916 79 T HA 0.614 4.964 4.350 0.000 0.000 0.292 79 T C 0.610 175.333 174.700 0.038 0.000 1.064 79 T CA 0.330 62.453 62.100 0.039 0.000 1.011 79 T CB 1.247 70.148 68.868 0.056 0.000 1.152 79 T HN 1.260 nan 8.240 nan 0.000 0.510 80 c N 2.765 121.391 118.600 0.044 0.000 2.354 80 c HA 0.908 5.478 4.570 0.000 0.000 0.381 80 c C -0.141 173.984 174.090 0.057 0.000 1.240 80 c CA -1.149 55.203 56.329 0.037 0.000 2.089 80 c CB -0.268 42.263 42.510 0.034 0.000 2.234 80 c HN 0.847 nan 8.230 nan 0.000 0.544 81 L N 1.521 122.768 121.223 0.040 0.000 2.272 81 L HA 0.657 4.997 4.340 0.000 0.000 0.289 81 L C -0.493 176.435 176.870 0.097 0.000 1.032 81 L CA -0.454 54.426 54.840 0.066 0.000 0.810 81 L CB 0.438 42.489 42.059 -0.014 0.000 1.205 81 L HN 0.707 nan 8.230 nan 0.000 0.422 82 I N 4.593 125.252 120.570 0.148 0.000 2.315 82 I HA 0.321 4.491 4.170 0.000 0.000 0.291 82 I C 0.129 176.366 176.117 0.200 0.000 1.006 82 I CA -0.320 61.066 61.300 0.144 0.000 1.265 82 I CB 1.385 39.462 38.000 0.129 0.000 1.387 82 I HN 0.692 nan 8.210 nan 0.000 0.475 83 T N 3.437 118.101 114.554 0.184 0.000 2.824 83 T HA 0.561 4.911 4.350 0.000 0.000 0.280 83 T C -0.364 174.452 174.700 0.192 0.000 0.995 83 T CA -1.011 61.241 62.100 0.255 0.000 1.009 83 T CB 1.821 70.840 68.868 0.250 0.000 0.955 83 T HN 0.271 nan 8.240 nan 0.000 0.452 84 K N 1.899 122.424 120.400 0.208 0.000 2.443 84 K HA 0.496 4.816 4.320 0.000 0.000 0.252 84 K C -0.782 175.914 176.600 0.159 0.000 0.933 84 K CA -0.879 55.490 56.287 0.136 0.000 0.792 84 K CB 2.721 35.270 32.500 0.081 0.000 1.185 84 K HN 0.650 nan 8.250 nan 0.000 0.425 85 R N 1.183 121.758 120.500 0.125 0.000 2.294 85 R HA 0.457 4.797 4.340 0.000 0.000 0.319 85 R C -0.578 175.760 176.300 0.063 0.000 0.984 85 R CA 0.036 56.217 56.100 0.135 0.000 0.861 85 R CB 0.592 30.962 30.300 0.117 0.000 1.104 85 R HN 0.847 nan 8.270 nan 0.000 0.451 86 S N 0.959 116.676 115.700 0.030 0.000 2.672 86 S HA 0.322 4.792 4.470 0.000 0.000 0.271 86 S C -0.249 174.319 174.600 -0.053 0.000 1.171 86 S CA -0.549 57.643 58.200 -0.012 0.000 0.817 86 S CB 1.452 64.641 63.200 -0.018 0.000 1.150 86 S HN 0.410 nan 8.310 nan 0.000 0.478 87 T N 0.522 115.046 114.554 -0.050 0.000 3.022 87 T HA 0.357 4.707 4.350 0.000 0.000 0.250 87 T C -0.756 173.912 174.700 -0.054 0.000 1.060 87 T CA 0.649 62.712 62.100 -0.062 0.000 1.013 87 T CB -0.346 68.498 68.868 -0.040 0.000 0.982 87 T HN 0.665 nan 8.240 nan 0.000 0.508 88 D N 0.114 120.485 120.400 -0.048 0.000 2.479 88 D HA 0.315 4.955 4.640 0.000 0.000 0.246 88 D C 1.135 177.397 176.300 -0.062 0.000 1.336 88 D CA -0.279 53.694 54.000 -0.045 0.000 0.967 88 D CB 1.263 42.040 40.800 -0.039 0.000 1.275 88 D HN -0.042 nan 8.370 nan 0.000 0.577 89 S N 1.530 117.198 115.700 -0.052 0.000 2.359 89 S HA -0.186 4.284 4.470 0.000 0.000 0.224 89 S C 2.042 176.506 174.600 -0.226 0.000 1.035 89 S CA 0.985 59.130 58.200 -0.092 0.000 1.018 89 S CB -0.458 62.782 63.200 0.067 0.000 0.876 89 S HN 0.376 nan 8.310 nan 0.000 0.448 90 V N 2.826 122.637 119.914 -0.172 0.000 2.282 90 V HA -0.251 3.869 4.120 0.000 0.000 0.249 90 V C 3.048 179.037 176.094 -0.176 0.000 1.057 90 V CA 1.909 64.088 62.300 -0.201 0.000 1.032 90 V CB -1.536 30.228 31.823 -0.097 0.000 0.645 90 V HN 0.653 nan 8.190 nan 0.000 0.447 91 A N -0.549 122.201 122.820 -0.117 0.000 1.883 91 A HA -0.235 4.085 4.320 0.000 0.000 0.217 91 A C 2.475 179.994 177.584 -0.108 0.000 1.186 91 A CA 2.358 54.341 52.037 -0.091 0.000 0.624 91 A CB -0.843 18.120 19.000 -0.061 0.000 0.822 91 A HN 0.522 nan 8.150 nan 0.000 0.444 92 S N -0.007 115.619 115.700 -0.123 0.000 2.374 92 S HA -0.156 4.314 4.470 0.000 0.000 0.227 92 S C 1.824 176.325 174.600 -0.166 0.000 1.037 92 S CA 1.526 59.653 58.200 -0.121 0.000 1.024 92 S CB -0.546 62.586 63.200 -0.115 0.000 0.861 92 S HN 0.502 nan 8.310 nan 0.000 0.456 93 L N 0.995 122.056 121.223 -0.270 0.000 1.970 93 L HA -0.170 4.170 4.340 0.000 0.000 0.212 93 L C 2.364 179.132 176.870 -0.169 0.000 1.071 93 L CA 1.351 56.008 54.840 -0.304 0.000 0.751 93 L CB -0.757 41.032 42.059 -0.450 0.000 0.889 93 L HN 0.299 nan 8.230 nan 0.000 0.432 94 L N -0.291 120.848 121.223 -0.141 0.000 2.013 94 L HA -0.287 4.053 4.340 0.000 0.000 0.212 94 L C 2.217 179.050 176.870 -0.062 0.000 1.073 94 L CA 1.403 56.191 54.840 -0.087 0.000 0.753 94 L CB -0.725 41.290 42.059 -0.073 0.000 0.890 94 L HN 0.337 nan 8.230 nan 0.000 0.432 95 D N -0.775 119.588 120.400 -0.062 0.000 2.219 95 D HA -0.114 4.526 4.640 0.000 0.000 0.205 95 D C 2.252 178.533 176.300 -0.031 0.000 0.970 95 D CA 0.808 54.784 54.000 -0.039 0.000 0.851 95 D CB -0.126 40.653 40.800 -0.035 0.000 0.943 95 D HN 0.126 nan 8.370 nan 0.000 0.488 96 V N 0.422 120.310 119.914 -0.043 0.000 2.323 96 V HA -0.147 3.973 4.120 0.000 0.000 0.244 96 V C 2.465 178.552 176.094 -0.013 0.000 1.041 96 V CA 1.046 63.332 62.300 -0.023 0.000 1.025 96 V CB -0.475 31.329 31.823 -0.032 0.000 0.656 96 V HN 0.102 nan 8.190 nan 0.000 0.451 97 V N 0.248 120.146 119.914 -0.026 0.000 2.261 97 V HA -0.205 3.915 4.120 0.000 0.000 0.246 97 V C 1.879 177.969 176.094 -0.007 0.000 1.047 97 V CA 1.962 64.255 62.300 -0.011 0.000 1.015 97 V CB -0.428 31.382 31.823 -0.022 0.000 0.642 97 V HN 0.504 nan 8.190 nan 0.000 0.446 98 K N 0.421 120.812 120.400 -0.015 0.000 3.277 98 K HA 0.078 4.398 4.320 0.000 0.000 0.291 98 K C 0.953 177.550 176.600 -0.005 0.000 0.994 98 K CA 0.682 56.963 56.287 -0.010 0.000 1.147 98 K CB -0.127 32.364 32.500 -0.016 0.000 1.185 98 K HN 0.746 nan 8.250 nan 0.000 0.422 99 S N -3.839 111.861 115.700 0.001 0.000 2.462 99 S HA -0.053 4.417 4.470 0.000 0.000 0.269 99 S C 1.515 176.122 174.600 0.012 0.000 1.005 99 S CA -0.045 58.158 58.200 0.005 0.000 1.260 99 S CB 0.190 63.392 63.200 0.005 0.000 0.990 99 S HN 0.118 nan 8.310 nan 0.000 0.477 100 T N 0.978 115.541 114.554 0.015 0.000 3.039 100 T HA 0.438 4.788 4.350 0.000 0.000 0.250 100 T C 1.246 175.961 174.700 0.023 0.000 1.052 100 T CA 1.558 63.671 62.100 0.023 0.000 1.125 100 T CB -0.541 68.345 68.868 0.031 0.000 0.908 100 T HN 1.720 nan 8.240 nan 0.000 0.473 101 G N 1.434 110.246 108.800 0.019 0.000 2.248 101 G HA2 0.062 4.022 3.960 0.000 0.000 0.252 101 G HA3 0.062 4.022 3.960 0.000 0.000 0.252 101 G C 0.030 174.947 174.900 0.027 0.000 1.085 101 G CA 0.066 45.177 45.100 0.019 0.000 0.845 101 G HN 0.903 nan 8.290 nan 0.000 0.494 102 A N -0.280 122.558 122.820 0.030 0.000 2.316 102 A HA 0.858 5.178 4.320 0.000 0.000 0.284 102 A C 1.359 178.963 177.584 0.034 0.000 1.115 102 A CA 0.749 52.813 52.037 0.045 0.000 0.812 102 A CB 0.874 19.908 19.000 0.057 0.000 1.064 102 A HN 1.542 nan 8.150 nan 0.000 0.489 103 S N 0.569 116.295 115.700 0.043 0.000 2.506 103 S HA 0.170 4.640 4.470 0.000 0.000 0.219 103 S C 0.446 175.051 174.600 0.008 0.000 1.031 103 S CA -0.068 58.147 58.200 0.024 0.000 0.911 103 S CB -0.027 63.190 63.200 0.028 0.000 0.812 103 S HN 0.773 nan 8.310 nan 0.000 0.497 104 Q N 0.328 120.144 119.800 0.026 0.000 2.413 104 Q HA 0.708 5.048 4.340 0.000 0.000 0.276 104 Q C -1.575 174.427 176.000 0.003 0.000 1.099 104 Q CA -0.697 55.074 55.803 -0.053 0.000 0.814 104 Q CB 2.699 31.357 28.738 -0.133 0.000 1.379 104 Q HN 0.359 nan 8.270 nan 0.000 0.436 105 I N 1.318 121.840 120.570 -0.081 0.000 2.468 105 I HA 0.438 4.608 4.170 0.000 0.000 0.285 105 I C -1.797 174.376 176.117 0.094 0.000 1.039 105 I CA -0.806 60.561 61.300 0.112 0.000 1.074 105 I CB 0.903 38.986 38.000 0.139 0.000 1.228 105 I HN 0.514 nan 8.210 nan 0.000 0.436 106 F N 8.472 128.582 119.950 0.266 0.000 2.436 106 F HA 0.629 5.156 4.527 0.000 0.000 0.340 106 F C -0.228 175.791 175.800 0.364 0.000 1.113 106 F CA -0.603 57.569 58.000 0.287 0.000 1.022 106 F CB 1.481 40.603 39.000 0.203 0.000 1.128 106 F HN 0.346 nan 8.300 nan 0.000 0.466 107 F N 0.471 120.634 119.950 0.354 0.000 2.662 107 F HA 0.609 5.136 4.527 0.000 0.000 0.312 107 F C -1.459 174.409 175.800 0.113 0.000 1.113 107 F CA -1.230 56.871 58.000 0.167 0.000 0.951 107 F CB 1.301 40.390 39.000 0.147 0.000 1.344 107 F HN 0.233 nan 8.300 nan 0.000 0.462 108 N N 0.358 119.186 118.700 0.214 0.000 2.443 108 N HA 0.271 5.012 4.740 0.000 0.000 0.295 108 N C -1.008 174.583 175.510 0.135 0.000 1.076 108 N CA -0.633 52.441 53.050 0.041 0.000 0.919 108 N CB 1.081 39.608 38.487 0.066 0.000 1.176 108 N HN 0.798 nan 8.380 nan 0.000 0.487 109 H N 0.361 119.480 119.070 0.081 0.000 2.836 109 H HA 0.249 4.805 4.556 0.000 0.000 0.368 109 H C -0.101 175.104 175.328 -0.204 0.000 1.164 109 H CA 0.054 56.070 56.048 -0.054 0.000 1.425 109 H CB 0.873 30.500 29.762 -0.225 0.000 1.414 109 H HN 0.207 nan 8.280 nan 0.000 0.614 110 L N 1.470 122.534 121.223 -0.266 0.000 2.434 110 L HA 0.172 4.512 4.340 0.000 0.000 0.260 110 L C -0.888 175.705 176.870 -0.462 0.000 0.983 110 L CA -0.625 54.076 54.840 -0.232 0.000 0.820 110 L CB 1.789 43.815 42.059 -0.055 0.000 1.361 110 L HN 0.706 nan 8.230 nan 0.000 0.410 111 Y N -1.048 119.319 120.300 0.112 0.000 2.612 111 Y HA 0.115 4.665 4.550 0.000 0.000 0.250 111 Y C 0.662 176.592 175.900 0.049 0.000 1.175 111 Y CA -1.192 56.989 58.100 0.133 0.000 1.205 111 Y CB 0.164 38.721 38.460 0.162 0.000 1.201 111 Y HN 0.468 nan 8.280 nan 0.000 0.532 112 D N 0.466 120.920 120.400 0.090 0.000 2.339 112 D HA 0.060 4.700 4.640 0.000 0.000 0.245 112 D C -2.147 174.067 176.300 -0.143 0.000 1.115 112 D CA -1.545 52.431 54.000 -0.041 0.000 0.917 112 D CB 2.276 43.032 40.800 -0.074 0.000 1.192 112 D HN -0.032 nan 8.370 nan 0.000 0.428 113 P HA -0.190 nan 4.420 nan 0.000 0.214 113 P C 1.657 178.799 177.300 -0.263 0.000 1.169 113 P CA 1.000 63.894 63.100 -0.344 0.000 0.908 113 P CB 0.081 31.445 31.700 -0.559 0.000 0.791 114 L N -0.988 120.083 121.223 -0.253 0.000 2.043 114 L HA -0.187 4.153 4.340 0.000 0.000 0.212 114 L C 2.410 179.227 176.870 -0.089 0.000 1.075 114 L CA 2.003 56.769 54.840 -0.124 0.000 0.752 114 L CB -1.791 40.221 42.059 -0.079 0.000 0.891 114 L HN -0.054 nan 8.230 nan 0.000 0.432 115 S N -0.799 114.844 115.700 -0.094 0.000 2.383 115 S HA -0.049 4.421 4.470 0.000 0.000 0.227 115 S C 1.998 176.537 174.600 -0.101 0.000 1.026 115 S CA 0.845 59.000 58.200 -0.075 0.000 0.981 115 S CB -0.323 62.840 63.200 -0.063 0.000 0.818 115 S HN 0.294 nan 8.310 nan 0.000 0.472 116 L N 0.817 121.948 121.223 -0.152 0.000 1.990 116 L HA -0.139 4.201 4.340 0.000 0.000 0.213 116 L C 2.533 179.197 176.870 -0.344 0.000 1.072 116 L CA 1.363 56.050 54.840 -0.255 0.000 0.755 116 L CB -0.791 41.091 42.059 -0.295 0.000 0.889 116 L HN 0.250 nan 8.230 nan 0.000 0.432 117 V N 0.139 119.910 119.914 -0.238 0.000 2.237 117 V HA -0.323 3.798 4.120 0.000 0.000 0.245 117 V C 2.792 178.855 176.094 -0.051 0.000 1.046 117 V CA 2.273 64.478 62.300 -0.159 0.000 1.007 117 V CB -0.412 31.362 31.823 -0.082 0.000 0.638 117 V HN 0.520 nan 8.190 nan 0.000 0.445 118 R N -0.451 120.036 120.500 -0.022 0.000 2.103 118 R HA -0.229 4.111 4.340 0.000 0.000 0.242 118 R C 1.980 178.326 176.300 0.077 0.000 1.142 118 R CA 2.535 58.655 56.100 0.034 0.000 0.960 118 R CB -0.612 29.715 30.300 0.045 0.000 0.858 118 R HN 0.617 nan 8.270 nan 0.000 0.439 119 D N -0.591 119.845 120.400 0.060 0.000 2.144 119 D HA -0.135 4.506 4.640 0.000 0.000 0.199 119 D C 1.769 178.232 176.300 0.271 0.000 0.984 119 D CA 1.324 55.406 54.000 0.137 0.000 0.834 119 D CB -0.321 40.571 40.800 0.152 0.000 0.955 119 D HN 0.532 nan 8.370 nan 0.000 0.465 120 H N -0.134 118.984 119.070 0.080 0.000 2.299 120 H HA 0.029 4.586 4.556 0.000 0.000 0.302 120 H C 2.204 177.562 175.328 0.050 0.000 1.078 120 H CA 0.618 56.704 56.048 0.063 0.000 1.323 120 H CB 0.270 30.044 29.762 0.021 0.000 1.381 120 H HN -0.042 nan 8.280 nan 0.000 0.498 121 R N 1.015 121.620 120.500 0.175 0.000 2.170 121 R HA -0.148 4.192 4.340 0.000 0.000 0.242 121 R C 2.237 178.578 176.300 0.068 0.000 1.145 121 R CA 0.999 57.154 56.100 0.092 0.000 0.984 121 R CB -0.108 30.228 30.300 0.061 0.000 0.869 121 R HN 0.285 nan 8.270 nan 0.000 0.455 122 A N 1.113 123.988 122.820 0.092 0.000 1.872 122 A HA -0.168 4.153 4.320 0.000 0.000 0.214 122 A C 2.000 179.632 177.584 0.079 0.000 1.187 122 A CA 1.512 53.583 52.037 0.057 0.000 0.614 122 A CB -0.377 18.673 19.000 0.084 0.000 0.826 122 A HN 0.268 nan 8.150 nan 0.000 0.442 123 K N 0.619 121.106 120.400 0.145 0.000 2.032 123 K HA -0.185 4.135 4.320 0.000 0.000 0.209 123 K C 1.261 177.892 176.600 0.052 0.000 1.048 123 K CA 2.181 58.546 56.287 0.129 0.000 0.927 123 K CB -0.499 32.086 32.500 0.142 0.000 0.712 123 K HN 0.392 nan 8.250 nan 0.000 0.441 124 D N 0.138 120.560 120.400 0.038 0.000 2.106 124 D HA -0.157 4.483 4.640 0.000 0.000 0.194 124 D C 2.070 178.373 176.300 0.005 0.000 0.988 124 D CA 2.008 56.014 54.000 0.011 0.000 0.845 124 D CB -0.742 40.066 40.800 0.013 0.000 0.990 124 D HN 0.055 nan 8.370 nan 0.000 0.448 125 V N 0.734 120.651 119.914 0.005 0.000 2.278 125 V HA -0.261 3.859 4.120 0.000 0.000 0.251 125 V C 2.557 178.642 176.094 -0.015 0.000 1.062 125 V CA 1.424 63.719 62.300 -0.009 0.000 1.038 125 V CB -0.507 31.305 31.823 -0.018 0.000 0.646 125 V HN 0.119 nan 8.190 nan 0.000 0.447 126 L N -0.586 120.629 121.223 -0.013 0.000 2.056 126 L HA -0.110 4.230 4.340 0.000 0.000 0.207 126 L C 2.649 179.513 176.870 -0.011 0.000 1.078 126 L CA 2.398 57.227 54.840 -0.018 0.000 0.749 126 L CB -1.116 40.934 42.059 -0.015 0.000 0.901 126 L HN 0.369 nan 8.230 nan 0.000 0.433 127 T N -1.106 113.446 114.554 -0.003 0.000 2.812 127 T HA -0.042 4.308 4.350 0.000 0.000 0.264 127 T C 1.409 176.100 174.700 -0.014 0.000 1.042 127 T CA 0.925 63.018 62.100 -0.011 0.000 1.140 127 T CB -0.119 68.743 68.868 -0.011 0.000 0.870 127 T HN 0.313 nan 8.240 nan 0.000 0.445 128 A N 0.633 123.446 122.820 -0.013 0.000 2.233 128 A HA 0.208 4.528 4.320 0.000 0.000 0.230 128 A C 1.414 178.990 177.584 -0.014 0.000 1.347 128 A CA 0.281 52.310 52.037 -0.014 0.000 1.087 128 A CB -0.216 18.776 19.000 -0.012 0.000 0.871 128 A HN 0.488 nan 8.150 nan 0.000 0.519 129 Q N -1.515 118.276 119.800 -0.015 0.000 1.985 129 Q HA 0.167 4.507 4.340 0.000 0.000 0.199 129 Q C 0.588 176.579 176.000 -0.014 0.000 0.776 129 Q CA 0.629 56.423 55.803 -0.015 0.000 0.988 129 Q CB 0.838 29.564 28.738 -0.019 0.000 1.224 129 Q HN 1.166 nan 8.270 nan 0.000 0.432 130 G N 1.660 110.451 108.800 -0.014 0.000 2.142 130 G HA2 -0.186 3.774 3.960 0.000 0.000 0.225 130 G HA3 -0.186 3.774 3.960 0.000 0.000 0.225 130 G C -0.096 174.795 174.900 -0.014 0.000 1.015 130 G CA -0.005 45.087 45.100 -0.013 0.000 0.716 130 G HN 0.201 nan 8.290 nan 0.000 0.508 131 I N 0.575 121.134 120.570 -0.018 0.000 2.436 131 I HA 0.674 4.844 4.170 0.000 0.000 0.289 131 I C 0.668 176.766 176.117 -0.033 0.000 1.010 131 I CA -1.395 59.892 61.300 -0.021 0.000 1.098 131 I CB 1.366 39.354 38.000 -0.019 0.000 1.266 131 I HN 0.362 nan 8.210 nan 0.000 0.434 132 A N 6.637 129.425 122.820 -0.052 0.000 2.404 132 A HA 0.526 4.847 4.320 0.000 0.000 0.273 132 A C -0.011 177.495 177.584 -0.131 0.000 1.144 132 A CA -0.357 51.627 52.037 -0.088 0.000 0.806 132 A CB 0.252 19.191 19.000 -0.102 0.000 1.080 132 A HN 0.691 nan 8.150 nan 0.000 0.509 133 V N 1.676 121.527 119.914 -0.106 0.000 2.378 133 V HA 0.751 4.871 4.120 0.000 0.000 0.288 133 V C -0.322 175.663 176.094 -0.181 0.000 1.016 133 V CA -0.843 61.406 62.300 -0.084 0.000 0.840 133 V CB 1.070 32.945 31.823 0.086 0.000 0.994 133 V HN 0.861 nan 8.190 nan 0.000 0.431 134 R N 3.273 123.580 120.500 -0.320 0.000 2.637 134 R HA 0.793 5.133 4.340 0.000 0.000 0.291 134 R C -0.534 175.408 176.300 -0.596 0.000 0.963 134 R CA -0.453 55.384 56.100 -0.437 0.000 0.901 134 R CB 2.386 32.441 30.300 -0.409 0.000 1.160 134 R HN 0.834 nan 8.270 nan 0.000 0.457 135 S N 1.978 117.163 115.700 -0.858 0.000 2.536 135 S HA 0.699 5.169 4.470 0.000 0.000 0.298 135 S C -1.227 172.701 174.600 -1.120 0.000 1.083 135 S CA -0.556 57.041 58.200 -1.006 0.000 0.995 135 S CB 0.945 63.681 63.200 -0.774 0.000 1.058 135 S HN 0.328 nan 8.310 nan 0.000 0.488 136 F N 0.895 120.453 119.950 -0.653 0.000 2.706 136 F HA 0.516 5.043 4.527 0.000 0.000 0.328 136 F C 0.155 175.726 175.800 -0.382 0.000 1.123 136 F CA -1.212 56.568 58.000 -0.367 0.000 0.978 136 F CB 0.865 39.768 39.000 -0.162 0.000 1.404 136 F HN 0.374 nan 8.300 nan 0.000 0.497 137 N N 0.406 119.188 118.700 0.136 0.000 2.439 137 N HA 0.540 5.280 4.740 0.000 0.000 0.249 137 N C -0.279 175.303 175.510 0.121 0.000 1.003 137 N CA 0.030 53.180 53.050 0.166 0.000 0.942 137 N CB 1.503 40.082 38.487 0.155 0.000 1.115 137 N HN 0.731 nan 8.380 nan 0.000 0.505 138 A N 2.762 125.659 122.820 0.128 0.000 2.358 138 A HA 0.216 4.536 4.320 0.000 0.000 0.223 138 A C 0.509 178.163 177.584 0.117 0.000 1.218 138 A CA 0.002 52.096 52.037 0.095 0.000 0.942 138 A CB 0.405 19.453 19.000 0.080 0.000 1.005 138 A HN 0.538 nan 8.150 nan 0.000 0.514 139 D N -0.456 120.045 120.400 0.168 0.000 2.433 139 D HA 0.355 4.995 4.640 0.000 0.000 0.211 139 D C 0.085 176.435 176.300 0.084 0.000 1.114 139 D CA 0.446 54.539 54.000 0.155 0.000 0.837 139 D CB 0.686 41.625 40.800 0.232 0.000 0.984 139 D HN 0.369 nan 8.370 nan 0.000 0.505 140 L N -0.503 120.744 121.223 0.039 0.000 2.341 140 L HA 0.399 4.739 4.340 0.000 0.000 0.254 140 L C 1.060 177.872 176.870 -0.095 0.000 1.040 140 L CA -0.858 53.957 54.840 -0.042 0.000 0.837 140 L CB 2.089 44.068 42.059 -0.133 0.000 1.425 140 L HN -0.324 nan 8.230 nan 0.000 0.414 141 L N -0.122 121.002 121.223 -0.165 0.000 2.131 141 L HA 0.041 4.381 4.340 0.000 0.000 0.206 141 L C -0.567 175.902 176.870 -0.669 0.000 1.087 141 L CA 1.353 55.925 54.840 -0.446 0.000 0.767 141 L CB 0.040 41.777 42.059 -0.537 0.000 0.917 141 L HN 0.427 nan 8.230 nan 0.000 0.441 142 Y N -1.324 118.916 120.300 -0.100 0.000 2.513 142 Y HA 0.272 4.822 4.550 0.000 0.000 0.340 142 Y C -0.110 175.651 175.900 -0.232 0.000 1.055 142 Y CA -1.631 56.397 58.100 -0.120 0.000 1.020 142 Y CB 1.045 39.431 38.460 -0.125 0.000 1.301 142 Y HN -0.154 nan 8.280 nan 0.000 0.453 143 E N 4.514 124.560 120.200 -0.255 0.000 2.413 143 E HA 0.039 4.389 4.350 0.000 0.000 0.263 143 E C -1.674 174.529 176.600 -0.663 0.000 1.015 143 E CA -1.286 54.649 56.400 -0.776 0.000 0.916 143 E CB 0.717 29.387 29.700 -1.717 0.000 0.947 143 E HN 0.372 nan 8.360 nan 0.000 0.440 144 P HA -0.185 nan 4.420 nan 0.000 0.218 144 P C 1.114 178.414 177.300 -0.000 0.000 1.146 144 P CA 1.600 64.597 63.100 -0.171 0.000 0.820 144 P CB -0.167 31.292 31.700 -0.401 0.000 0.778 145 W N 0.946 122.187 121.300 -0.099 0.000 2.678 145 W HA 0.142 4.802 4.660 0.000 0.000 0.256 145 W C 1.517 178.090 176.519 0.089 0.000 1.280 145 W CA 0.296 57.652 57.345 0.018 0.000 1.345 145 W CB -1.518 27.949 29.460 0.012 0.000 1.118 145 W HN -0.041 nan 8.180 nan 0.000 0.629 146 E N 0.795 121.012 120.200 0.028 0.000 2.285 146 E HA -0.018 4.332 4.350 0.000 0.000 0.194 146 E C 0.037 176.652 176.600 0.024 0.000 0.997 146 E CA 0.415 56.863 56.400 0.080 0.000 0.845 146 E CB 0.152 29.879 29.700 0.044 0.000 0.782 146 E HN 0.055 nan 8.360 nan 0.000 0.491 147 V N 1.558 121.541 119.914 0.116 0.000 2.318 147 V HA 0.286 4.406 4.120 0.000 0.000 0.271 147 V C -0.012 176.319 176.094 0.395 0.000 1.030 147 V CA -0.275 62.126 62.300 0.168 0.000 0.844 147 V CB 1.130 33.064 31.823 0.185 0.000 1.015 147 V HN 0.038 nan 8.190 nan 0.000 0.460 148 T N 2.431 117.126 114.554 0.235 0.000 2.792 148 T HA 0.436 4.786 4.350 0.000 0.000 0.303 148 T C -1.050 173.459 174.700 -0.318 0.000 1.310 148 T CA -0.502 61.595 62.100 -0.006 0.000 1.007 148 T CB 1.968 70.847 68.868 0.018 0.000 1.335 148 T HN 0.842 nan 8.240 nan 0.000 0.504 149 D N 0.516 120.464 120.400 -0.753 0.000 2.411 149 D HA 0.305 4.946 4.640 0.000 0.000 0.251 149 D C 1.215 177.402 176.300 -0.187 0.000 1.201 149 D CA -0.189 53.479 54.000 -0.552 0.000 0.996 149 D CB 0.591 41.016 40.800 -0.625 0.000 1.101 149 D HN 0.658 nan 8.370 nan 0.000 0.504 150 E N -0.574 119.572 120.200 -0.090 0.000 2.086 150 E HA -0.191 4.159 4.350 0.000 0.000 0.200 150 E C 1.929 178.502 176.600 -0.045 0.000 1.012 150 E CA 1.032 57.405 56.400 -0.044 0.000 0.812 150 E CB -0.170 29.519 29.700 -0.019 0.000 0.743 150 E HN 0.477 nan 8.360 nan 0.000 0.453 151 L N -0.990 120.200 121.223 -0.054 0.000 2.201 151 L HA -0.071 4.269 4.340 0.000 0.000 0.212 151 L C 1.680 178.525 176.870 -0.041 0.000 1.105 151 L CA 1.449 56.265 54.840 -0.039 0.000 0.775 151 L CB -0.385 41.655 42.059 -0.033 0.000 0.913 151 L HN 0.501 nan 8.230 nan 0.000 0.440 152 G N -0.079 108.679 108.800 -0.069 0.000 2.175 152 G HA2 -0.201 3.759 3.960 0.000 0.000 0.182 152 G HA3 -0.201 3.759 3.960 0.000 0.000 0.182 152 G C 0.220 175.092 174.900 -0.047 0.000 1.003 152 G CA -0.435 44.637 45.100 -0.046 0.000 0.666 152 G HN 0.293 nan 8.290 nan 0.000 0.506 153 R N 1.295 121.744 120.500 -0.086 0.000 2.500 153 R HA 0.535 4.875 4.340 0.000 0.000 0.277 153 R C -2.272 173.973 176.300 -0.092 0.000 1.026 153 R CA -1.680 54.383 56.100 -0.062 0.000 1.058 153 R CB 0.998 31.271 30.300 -0.044 0.000 1.078 153 R HN 0.122 nan 8.270 nan 0.000 0.509 154 P HA -0.027 nan 4.420 nan 0.000 0.271 154 P C -0.748 176.705 177.300 0.254 0.000 1.216 154 P CA 0.161 63.357 63.100 0.160 0.000 0.771 154 P CB 0.404 32.127 31.700 0.037 0.000 0.864 155 F N 1.168 121.437 119.950 0.533 0.000 2.553 155 F HA 0.008 4.535 4.527 0.000 0.000 0.356 155 F C 2.068 178.139 175.800 0.452 0.000 1.142 155 F CA 0.731 58.971 58.000 0.400 0.000 1.322 155 F CB 0.097 39.301 39.000 0.341 0.000 1.126 155 F HN 0.335 nan 8.300 nan 0.000 0.599 156 S N 1.064 117.079 115.700 0.525 0.000 2.540 156 S HA 0.371 4.841 4.470 0.000 0.000 0.218 156 S C 0.151 175.002 174.600 0.420 0.000 0.977 156 S CA -0.219 58.240 58.200 0.431 0.000 0.918 156 S CB -0.067 63.308 63.200 0.293 0.000 0.806 156 S HN 0.556 nan 8.310 nan 0.000 0.496 157 M N 0.347 120.179 119.600 0.386 0.000 2.501 157 M HA 0.409 4.889 4.480 0.000 0.000 0.293 157 M C -0.026 176.267 176.300 -0.012 0.000 1.192 157 M CA -0.740 54.702 55.300 0.237 0.000 0.886 157 M CB 1.752 34.453 32.600 0.168 0.000 1.710 157 M HN 0.075 nan 8.290 nan 0.000 0.457 158 F N 2.690 122.364 119.950 -0.461 0.000 2.027 158 F HA -0.253 4.274 4.527 0.000 0.000 0.297 158 F C 2.121 177.761 175.800 -0.266 0.000 1.129 158 F CA 2.905 60.432 58.000 -0.787 0.000 1.195 158 F CB -0.276 38.300 39.000 -0.706 0.000 0.960 158 F HN 0.748 nan 8.300 nan 0.000 0.485 159 A N 0.415 123.100 122.820 -0.226 0.000 1.915 159 A HA -0.260 4.061 4.320 0.000 0.000 0.220 159 A C 2.428 179.804 177.584 -0.346 0.000 1.198 159 A CA 2.828 54.724 52.037 -0.236 0.000 0.647 159 A CB -1.780 17.199 19.000 -0.035 0.000 0.825 159 A HN 0.657 nan 8.150 nan 0.000 0.456 160 A N -1.440 121.200 122.820 -0.299 0.000 1.902 160 A HA -0.019 4.301 4.320 0.000 0.000 0.217 160 A C 2.089 178.988 177.584 -1.142 0.000 1.181 160 A CA 1.695 53.463 52.037 -0.448 0.000 0.623 160 A CB -0.727 18.227 19.000 -0.076 0.000 0.818 160 A HN 0.879 nan 8.150 nan 0.000 0.443 161 F N -0.981 118.253 119.950 -1.193 0.000 2.102 161 F HA -0.173 4.354 4.527 0.000 0.000 0.298 161 F C 2.179 177.483 175.800 -0.826 0.000 1.105 161 F CA 1.768 59.016 58.000 -1.254 0.000 1.239 161 F CB -0.394 38.177 39.000 -0.716 0.000 0.991 161 F HN 0.511 nan 8.300 nan 0.000 0.474 162 W N 2.138 122.754 121.300 -1.140 0.000 2.436 162 W HA -0.134 4.526 4.660 0.000 0.000 0.284 162 W C 2.313 178.399 176.519 -0.721 0.000 1.225 162 W CA 1.320 58.040 57.345 -1.041 0.000 1.271 162 W CB -0.139 28.625 29.460 -1.159 0.000 1.114 162 W HN 0.319 nan 8.180 nan 0.000 0.559 163 E N 0.696 120.487 120.200 -0.681 0.000 2.106 163 E HA -0.253 4.097 4.350 0.000 0.000 0.192 163 E C 2.160 178.405 176.600 -0.592 0.000 0.984 163 E CA 0.725 56.786 56.400 -0.565 0.000 0.806 163 E CB -0.581 28.900 29.700 -0.365 0.000 0.750 163 E HN 0.061 nan 8.360 nan 0.000 0.458 164 R N 0.820 120.913 120.500 -0.678 0.000 2.075 164 R HA -0.044 4.296 4.340 0.000 0.000 0.232 164 R C 2.352 178.278 176.300 -0.623 0.000 1.126 164 R CA 1.337 57.125 56.100 -0.519 0.000 0.963 164 R CB -1.188 28.901 30.300 -0.352 0.000 0.858 164 R HN 0.331 nan 8.270 nan 0.000 0.435 165 C N 0.639 119.428 119.300 -0.853 0.000 2.401 165 C HA -0.107 4.353 4.460 0.000 0.000 0.276 165 C C 2.698 177.267 174.990 -0.703 0.000 1.233 165 C CA 0.712 59.249 59.018 -0.801 0.000 1.753 165 C CB -1.012 26.166 27.740 -0.937 0.000 2.029 165 C HN 0.430 nan 8.230 nan 0.000 0.478 166 L N 0.957 121.667 121.223 -0.856 0.000 2.418 166 L HA 0.001 4.341 4.340 0.000 0.000 0.218 166 L C 1.845 178.496 176.870 -0.364 0.000 1.125 166 L CA 1.200 55.683 54.840 -0.596 0.000 0.835 166 L CB -0.375 41.282 42.059 -0.669 0.000 0.953 166 L HN 0.433 nan 8.230 nan 0.000 0.454 167 S N -1.413 114.057 115.700 -0.384 0.000 2.624 167 S HA 0.299 4.769 4.470 0.000 0.000 0.246 167 S C 0.459 174.885 174.600 -0.290 0.000 1.072 167 S CA -0.659 57.376 58.200 -0.274 0.000 1.045 167 S CB 0.070 63.129 63.200 -0.236 0.000 0.851 167 S HN -0.002 nan 8.310 nan 0.000 0.480 168 M N 3.314 122.686 119.600 -0.381 0.000 2.243 168 M HA 0.240 4.720 4.480 0.000 0.000 0.341 168 M C -1.164 174.910 176.300 -0.377 0.000 1.130 168 M CA -1.725 53.266 55.300 -0.515 0.000 1.162 168 M CB 0.056 32.108 32.600 -0.912 0.000 1.497 168 M HN 0.120 nan 8.290 nan 0.000 0.456 169 P HA -0.097 nan 4.420 nan 0.000 0.228 169 P C -0.886 176.406 177.300 -0.014 0.000 1.151 169 P CA 1.381 64.398 63.100 -0.138 0.000 0.770 169 P CB -0.114 31.558 31.700 -0.046 0.000 0.786 170 Y N -2.779 117.504 120.300 -0.029 0.000 2.571 170 Y HA 0.644 5.194 4.550 0.000 0.000 0.341 170 Y C -0.622 175.357 175.900 0.131 0.000 1.076 170 Y CA -2.100 56.026 58.100 0.042 0.000 1.029 170 Y CB 0.174 38.667 38.460 0.055 0.000 1.308 170 Y HN -0.378 nan 8.280 nan 0.000 0.461 171 D N 2.530 123.122 120.400 0.320 0.000 2.329 171 D HA 0.340 4.980 4.640 0.000 0.000 0.246 171 D C -2.503 173.948 176.300 0.252 0.000 1.111 171 D CA -1.433 52.711 54.000 0.241 0.000 0.941 171 D CB 0.849 41.745 40.800 0.160 0.000 1.169 171 D HN 0.401 nan 8.370 nan 0.000 0.441 172 P HA 0.069 nan 4.420 nan 0.000 0.271 172 P C -0.306 176.990 177.300 -0.008 0.000 1.216 172 P CA -0.251 62.709 63.100 -0.234 0.000 0.776 172 P CB 0.317 31.718 31.700 -0.498 0.000 0.881 173 E N 0.895 121.101 120.200 0.010 0.000 2.568 173 E HA 0.010 4.360 4.350 0.000 0.000 0.262 173 E C -0.070 176.563 176.600 0.056 0.000 0.961 173 E CA -0.077 56.348 56.400 0.042 0.000 0.945 173 E CB 0.094 29.812 29.700 0.031 0.000 0.924 173 E HN 0.218 nan 8.360 nan 0.000 0.467 174 S N 3.120 118.866 115.700 0.077 0.000 2.565 174 S HA 0.212 4.682 4.470 0.000 0.000 0.274 174 S C -2.179 172.442 174.600 0.034 0.000 1.309 174 S CA -1.512 56.746 58.200 0.098 0.000 1.043 174 S CB 0.332 63.602 63.200 0.118 0.000 0.939 174 S HN 0.309 nan 8.310 nan 0.000 0.504 175 P HA 0.024 nan 4.420 nan 0.000 0.259 175 P C -1.054 176.221 177.300 -0.041 0.000 1.163 175 P CA 0.461 63.547 63.100 -0.023 0.000 0.760 175 P CB 0.061 31.731 31.700 -0.050 0.000 0.762 176 L N 3.341 124.536 121.223 -0.048 0.000 2.375 176 L HA 0.335 4.675 4.340 0.000 0.000 0.271 176 L C 0.695 177.520 176.870 -0.075 0.000 1.107 176 L CA -0.787 54.016 54.840 -0.061 0.000 0.806 176 L CB 0.163 42.176 42.059 -0.077 0.000 1.146 176 L HN 0.180 nan 8.230 nan 0.000 0.447 177 L N 2.782 123.961 121.223 -0.074 0.000 2.436 177 L HA 0.331 4.671 4.340 0.000 0.000 0.265 177 L C -1.816 174.992 176.870 -0.103 0.000 1.168 177 L CA -1.700 53.092 54.840 -0.081 0.000 0.815 177 L CB 0.244 42.264 42.059 -0.064 0.000 1.109 177 L HN 0.431 nan 8.230 nan 0.000 0.462 178 P HA 0.251 nan 4.420 nan 0.000 0.274 178 P C -2.600 174.634 177.300 -0.110 0.000 1.256 178 P CA -1.412 61.600 63.100 -0.147 0.000 0.795 178 P CB -0.367 31.206 31.700 -0.212 0.000 1.038 179 P HA 0.098 nan 4.420 nan 0.000 0.269 179 P C 0.800 178.063 177.300 -0.062 0.000 1.217 179 P CA 0.206 63.258 63.100 -0.079 0.000 0.783 179 P CB 0.416 32.072 31.700 -0.073 0.000 0.898 180 K N 0.480 120.851 120.400 -0.048 0.000 2.211 180 K HA 0.103 4.423 4.320 0.000 0.000 0.201 180 K C 0.586 177.170 176.600 -0.026 0.000 1.052 180 K CA 0.913 57.179 56.287 -0.034 0.000 0.973 180 K CB 0.208 32.691 32.500 -0.028 0.000 0.766 180 K HN 0.298 nan 8.250 nan 0.000 0.466 181 K N 0.388 120.771 120.400 -0.028 0.000 2.536 181 K HA 0.483 4.803 4.320 0.000 0.000 0.269 181 K C -1.363 175.225 176.600 -0.021 0.000 0.965 181 K CA -0.560 55.716 56.287 -0.019 0.000 0.860 181 K CB 2.199 34.691 32.500 -0.013 0.000 1.423 181 K HN -0.093 nan 8.250 nan 0.000 0.438 182 I N 2.603 123.167 120.570 -0.011 0.000 2.619 182 I HA 0.359 4.529 4.170 0.000 0.000 0.292 182 I C -0.488 175.631 176.117 0.003 0.000 1.100 182 I CA -1.017 60.279 61.300 -0.007 0.000 1.043 182 I CB 1.928 39.931 38.000 0.004 0.000 1.239 182 I HN 0.285 nan 8.210 nan 0.000 0.420 183 I N 3.989 124.562 120.570 0.005 0.000 2.392 183 I HA 0.297 4.467 4.170 0.000 0.000 0.295 183 I C 0.344 176.475 176.117 0.023 0.000 0.985 183 I CA -0.417 60.890 61.300 0.012 0.000 1.221 183 I CB 1.603 39.610 38.000 0.011 0.000 1.366 183 I HN 0.550 nan 8.210 nan 0.000 0.467 184 S N 3.069 118.786 115.700 0.028 0.000 2.437 184 S HA 0.525 4.995 4.470 0.000 0.000 0.305 184 S C 1.011 175.634 174.600 0.038 0.000 1.109 184 S CA -0.374 57.849 58.200 0.039 0.000 1.099 184 S CB 1.691 64.917 63.200 0.043 0.000 1.004 184 S HN 0.852 nan 8.310 nan 0.000 0.475 185 G N 1.945 110.773 108.800 0.046 0.000 2.628 185 G HA2 -0.139 3.821 3.960 0.000 0.000 0.217 185 G HA3 -0.139 3.821 3.960 0.000 0.000 0.217 185 G C 0.283 175.206 174.900 0.039 0.000 1.240 185 G CA 1.217 46.343 45.100 0.044 0.000 0.792 185 G HN 0.882 nan 8.290 nan 0.000 0.593 186 D N 0.048 120.473 120.400 0.042 0.000 2.421 186 D HA 0.212 4.852 4.640 0.000 0.000 0.254 186 D C 1.290 177.612 176.300 0.037 0.000 1.238 186 D CA -0.386 53.636 54.000 0.036 0.000 0.919 186 D CB 1.936 42.756 40.800 0.034 0.000 1.152 186 D HN 0.227 nan 8.370 nan 0.000 0.552 187 V N 2.023 121.956 119.914 0.032 0.000 3.510 187 V HA -0.047 4.073 4.120 0.000 0.000 0.270 187 V C 1.739 177.850 176.094 0.027 0.000 1.201 187 V CA 1.391 63.709 62.300 0.030 0.000 1.166 187 V CB -0.801 31.038 31.823 0.025 0.000 0.825 187 V HN 0.498 nan 8.190 nan 0.000 0.484 188 S N -0.614 115.102 115.700 0.026 0.000 2.522 188 S HA 0.085 4.555 4.470 0.000 0.000 0.227 188 S C 1.610 176.226 174.600 0.026 0.000 0.986 188 S CA 0.441 58.655 58.200 0.023 0.000 0.929 188 S CB -0.220 62.992 63.200 0.020 0.000 0.769 188 S HN 0.498 nan 8.310 nan 0.000 0.529 189 K N 0.707 121.126 120.400 0.032 0.000 2.393 189 K HA 0.416 4.736 4.320 0.000 0.000 0.193 189 K C 1.496 178.121 176.600 0.042 0.000 1.026 189 K CA -0.128 56.181 56.287 0.037 0.000 1.064 189 K CB -1.055 31.470 32.500 0.042 0.000 0.833 189 K HN 0.433 nan 8.250 nan 0.000 0.521 190 c N 0.169 118.793 118.600 0.039 0.000 2.403 190 c HA -0.049 4.521 4.570 0.000 0.000 0.277 190 c C 0.840 174.951 174.090 0.036 0.000 1.248 190 c CA 0.302 56.654 56.329 0.040 0.000 1.762 190 c CB -0.409 42.120 42.510 0.032 0.000 2.014 190 c HN 0.026 nan 8.230 nan 0.000 0.486 191 V N 1.395 121.327 119.914 0.030 0.000 2.370 191 V HA 0.493 4.614 4.120 0.000 0.000 0.257 191 V C 0.626 176.739 176.094 0.031 0.000 1.064 191 V CA 0.445 62.761 62.300 0.026 0.000 0.975 191 V CB -0.289 31.545 31.823 0.020 0.000 1.067 191 V HN 0.520 nan 8.190 nan 0.000 0.485 192 A N 4.299 127.142 122.820 0.038 0.000 3.754 192 A HA 0.634 4.954 4.320 0.000 0.000 0.177 192 A C -0.333 177.277 177.584 0.043 0.000 1.197 192 A CA -0.424 51.641 52.037 0.046 0.000 1.373 192 A CB 0.198 19.237 19.000 0.065 0.000 1.583 192 A HN 0.552 nan 8.150 nan 0.000 0.668 193 D N 1.777 122.211 120.400 0.057 0.000 2.280 193 D HA 0.468 5.108 4.640 0.000 0.000 0.243 193 D C -2.427 173.899 176.300 0.044 0.000 1.129 193 D CA -1.144 52.887 54.000 0.051 0.000 0.848 193 D CB 1.035 41.876 40.800 0.068 0.000 1.107 193 D HN 0.161 nan 8.370 nan 0.000 0.471 194 P HA 0.187 nan 4.420 nan 0.000 0.279 194 P C -0.793 176.485 177.300 -0.037 0.000 1.239 194 P CA -0.627 62.471 63.100 -0.002 0.000 0.789 194 P CB 1.043 32.738 31.700 -0.008 0.000 0.933 195 L N 3.705 124.870 121.223 -0.097 0.000 2.307 195 L HA 0.347 4.687 4.340 0.000 0.000 0.284 195 L C 0.210 176.805 176.870 -0.458 0.000 1.023 195 L CA -0.621 54.028 54.840 -0.319 0.000 0.810 195 L CB 1.617 43.416 42.059 -0.434 0.000 1.231 195 L HN 0.212 nan 8.230 nan 0.000 0.423 196 V N 2.224 121.859 119.914 -0.466 0.000 2.311 196 V HA 0.403 4.523 4.120 0.000 0.000 0.275 196 V C -0.074 175.776 176.094 -0.406 0.000 1.022 196 V CA 0.014 62.128 62.300 -0.309 0.000 0.830 196 V CB 0.553 32.317 31.823 -0.099 0.000 1.012 196 V HN 0.633 nan 8.190 nan 0.000 0.452 197 F N 3.421 123.326 119.950 -0.075 0.000 2.727 197 F HA 0.483 5.010 4.527 0.000 0.000 0.302 197 F C 1.050 176.869 175.800 0.033 0.000 1.097 197 F CA -0.227 57.733 58.000 -0.066 0.000 1.330 197 F CB 0.394 39.271 39.000 -0.204 0.000 1.084 197 F HN 0.569 nan 8.300 nan 0.000 0.578 198 E N -0.199 120.103 120.200 0.171 0.000 2.331 198 E HA 0.302 4.652 4.350 0.000 0.000 0.275 198 E C -1.380 175.280 176.600 0.100 0.000 0.895 198 E CA -0.934 55.555 56.400 0.149 0.000 0.753 198 E CB 2.120 31.909 29.700 0.149 0.000 1.216 198 E HN 0.080 nan 8.360 nan 0.000 0.434 199 D N 0.276 120.732 120.400 0.094 0.000 2.385 199 D HA 0.130 4.770 4.640 0.000 0.000 0.254 199 D C 0.183 176.520 176.300 0.062 0.000 1.053 199 D CA -0.494 53.549 54.000 0.071 0.000 0.992 199 D CB 0.956 41.800 40.800 0.072 0.000 1.145 199 D HN 0.211 nan 8.370 nan 0.000 0.523 200 D N -0.113 120.317 120.400 0.050 0.000 2.149 200 D HA -0.224 4.416 4.640 0.000 0.000 0.198 200 D C 1.749 178.073 176.300 0.041 0.000 0.990 200 D CA 1.328 55.353 54.000 0.042 0.000 0.839 200 D CB -0.217 40.604 40.800 0.035 0.000 0.948 200 D HN 0.427 nan 8.370 nan 0.000 0.460 201 S N 0.980 116.706 115.700 0.044 0.000 2.353 201 S HA -0.222 4.248 4.470 0.000 0.000 0.222 201 S C 1.853 176.476 174.600 0.039 0.000 1.035 201 S CA 1.400 59.626 58.200 0.042 0.000 1.025 201 S CB -0.145 63.085 63.200 0.049 0.000 0.902 201 S HN 0.220 nan 8.310 nan 0.000 0.440 202 E N 0.596 120.826 120.200 0.049 0.000 2.110 202 E HA -0.142 4.208 4.350 0.000 0.000 0.193 202 E C 2.287 178.908 176.600 0.036 0.000 0.988 202 E CA 1.029 57.457 56.400 0.046 0.000 0.804 202 E CB -0.136 29.611 29.700 0.078 0.000 0.745 202 E HN 0.519 nan 8.360 nan 0.000 0.458 203 K N 0.196 120.626 120.400 0.049 0.000 2.074 203 K HA -0.167 4.153 4.320 0.000 0.000 0.209 203 K C 2.187 178.791 176.600 0.007 0.000 1.048 203 K CA 1.315 57.630 56.287 0.047 0.000 0.926 203 K CB -0.325 32.205 32.500 0.050 0.000 0.713 203 K HN 0.189 nan 8.250 nan 0.000 0.444 204 G N 0.120 108.922 108.800 0.004 0.000 2.480 204 G HA2 -0.252 3.708 3.960 0.000 0.000 0.216 204 G HA3 -0.252 3.708 3.960 0.000 0.000 0.216 204 G C 1.437 176.310 174.900 -0.046 0.000 1.200 204 G CA 1.125 46.218 45.100 -0.012 0.000 0.782 204 G HN 0.263 nan 8.290 nan 0.000 0.554 205 S N 1.096 116.765 115.700 -0.051 0.000 2.469 205 S HA -0.083 4.387 4.470 0.000 0.000 0.238 205 S C 2.012 176.507 174.600 -0.175 0.000 0.998 205 S CA 0.888 59.025 58.200 -0.106 0.000 0.957 205 S CB -0.173 62.971 63.200 -0.094 0.000 0.764 205 S HN 0.377 nan 8.310 nan 0.000 0.514 206 N N 1.476 120.072 118.700 -0.173 0.000 2.424 206 N HA 0.223 4.963 4.740 0.000 0.000 0.178 206 N C 1.687 176.978 175.510 -0.365 0.000 1.060 206 N CA 0.698 53.543 53.050 -0.342 0.000 0.901 206 N CB -0.440 37.852 38.487 -0.324 0.000 0.979 206 N HN 0.364 nan 8.380 nan 0.000 0.451 207 A N 1.081 123.785 122.820 -0.193 0.000 2.023 207 A HA -0.169 4.151 4.320 0.000 0.000 0.223 207 A C 2.015 179.503 177.584 -0.161 0.000 1.180 207 A CA 1.304 53.258 52.037 -0.138 0.000 0.659 207 A CB -0.663 18.289 19.000 -0.081 0.000 0.817 207 A HN 0.295 nan 8.150 nan 0.000 0.466 208 L N -1.367 119.737 121.223 -0.199 0.000 2.477 208 L HA 0.093 4.433 4.340 0.000 0.000 0.220 208 L C 2.178 178.929 176.870 -0.198 0.000 1.106 208 L CA -0.046 54.699 54.840 -0.158 0.000 0.851 208 L CB -0.288 41.703 42.059 -0.113 0.000 0.994 208 L HN 0.315 nan 8.230 nan 0.000 0.462 209 L N 0.562 121.549 121.223 -0.393 0.000 2.013 209 L HA -0.263 4.077 4.340 0.000 0.000 0.212 209 L C 2.887 179.611 176.870 -0.243 0.000 1.073 209 L CA 1.558 56.090 54.840 -0.513 0.000 0.753 209 L CB -0.789 40.359 42.059 -1.518 0.000 0.890 209 L HN 0.304 nan 8.230 nan 0.000 0.432 210 A N -0.370 122.348 122.820 -0.169 0.000 2.084 210 A HA -0.254 4.066 4.320 0.000 0.000 0.221 210 A C 2.393 180.004 177.584 0.044 0.000 1.161 210 A CA 1.796 53.923 52.037 0.151 0.000 0.653 210 A CB -0.631 18.470 19.000 0.168 0.000 0.802 210 A HN 0.373 nan 8.150 nan 0.000 0.457 211 R N -1.298 119.183 120.500 -0.032 0.000 2.193 211 R HA 0.113 4.453 4.340 0.000 0.000 0.213 211 R C 1.906 178.138 176.300 -0.112 0.000 1.055 211 R CA 1.048 57.110 56.100 -0.063 0.000 0.995 211 R CB -0.121 30.136 30.300 -0.072 0.000 0.893 211 R HN 0.482 nan 8.270 nan 0.000 0.459 212 A N -0.968 121.771 122.820 -0.134 0.000 2.013 212 A HA 0.176 4.497 4.320 0.000 0.000 0.204 212 A C -0.372 176.898 177.584 -0.523 0.000 1.262 212 A CA -0.088 51.716 52.037 -0.388 0.000 0.800 212 A CB 0.130 18.825 19.000 -0.507 0.000 0.909 212 A HN 0.215 nan 8.150 nan 0.000 0.472 213 W N -0.761 120.532 121.300 -0.012 0.000 2.719 213 W HA 0.671 5.332 4.660 0.000 0.000 0.352 213 W C -0.427 176.077 176.519 -0.025 0.000 1.085 213 W CA -0.510 56.859 57.345 0.040 0.000 1.187 213 W CB 1.384 30.979 29.460 0.225 0.000 1.417 213 W HN -0.114 nan 8.180 nan 0.000 0.557 214 S N 2.316 118.078 115.700 0.104 0.000 2.395 214 S HA 0.348 4.818 4.470 0.000 0.000 0.207 214 S C -2.567 171.833 174.600 -0.333 0.000 1.454 214 S CA -1.004 57.129 58.200 -0.111 0.000 1.211 214 S CB 0.533 63.699 63.200 -0.057 0.000 1.093 214 S HN 0.042 nan 8.310 nan 0.000 0.472 215 P HA 0.406 nan 4.420 nan 0.000 0.270 215 P C 0.614 177.599 177.300 -0.524 0.000 1.221 215 P CA 0.841 63.118 63.100 -1.371 0.000 0.788 215 P CB 0.354 30.863 31.700 -1.986 0.000 0.904 216 G N 0.388 109.067 108.800 -0.201 0.000 2.570 216 G HA2 -0.104 3.856 3.960 0.000 0.000 0.686 216 G HA3 -0.104 3.856 3.960 0.000 0.000 0.686 216 G C 0.342 175.293 174.900 0.084 0.000 1.257 216 G CA -0.322 44.729 45.100 -0.082 0.000 0.846 216 G HN 0.624 nan 8.290 nan 0.000 0.627 217 W N 0.375 121.716 121.300 0.067 0.000 2.418 217 W HA 0.051 4.711 4.660 0.000 0.000 0.292 217 W C 1.909 178.432 176.519 0.006 0.000 1.213 217 W CA 1.733 59.115 57.345 0.062 0.000 1.283 217 W CB -1.227 28.258 29.460 0.042 0.000 1.119 217 W HN 0.863 nan 8.180 nan 0.000 0.542 218 S N 2.197 116.991 115.700 -1.511 0.000 2.353 218 S HA -0.275 4.195 4.470 0.000 0.000 0.222 218 S C 1.502 175.797 174.600 -0.509 0.000 1.035 218 S CA 2.258 59.649 58.200 -1.349 0.000 1.025 218 S CB -0.662 61.788 63.200 -1.251 0.000 0.902 218 S HN 0.432 nan 8.310 nan 0.000 0.440 219 N N 0.430 118.915 118.700 -0.358 0.000 2.381 219 N HA 0.070 4.810 4.740 0.000 0.000 0.182 219 N C 1.772 177.162 175.510 -0.199 0.000 1.025 219 N CA 0.811 53.763 53.050 -0.164 0.000 0.888 219 N CB -0.427 38.032 38.487 -0.046 0.000 0.965 219 N HN 0.487 nan 8.380 nan 0.000 0.438 220 G N 0.551 109.127 108.800 -0.374 0.000 2.402 220 G HA2 -0.234 3.726 3.960 0.000 0.000 0.216 220 G HA3 -0.234 3.726 3.960 0.000 0.000 0.216 220 G C 1.262 176.025 174.900 -0.230 0.000 1.162 220 G CA 0.589 45.227 45.100 -0.771 0.000 0.777 220 G HN 0.174 nan 8.290 nan 0.000 0.539 221 D N 0.277 120.635 120.400 -0.071 0.000 2.117 221 D HA -0.094 4.546 4.640 0.000 0.000 0.197 221 D C 2.393 178.696 176.300 0.004 0.000 0.987 221 D CA 0.721 54.741 54.000 0.032 0.000 0.829 221 D CB -0.040 40.825 40.800 0.108 0.000 0.961 221 D HN 0.097 nan 8.370 nan 0.000 0.460 222 K N 1.142 121.517 120.400 -0.041 0.000 2.032 222 K HA -0.107 4.213 4.320 0.000 0.000 0.209 222 K C 1.901 178.513 176.600 0.021 0.000 1.048 222 K CA 1.297 57.572 56.287 -0.020 0.000 0.927 222 K CB -0.412 32.058 32.500 -0.049 0.000 0.712 222 K HN 0.035 nan 8.250 nan 0.000 0.441 223 A N 1.427 124.260 122.820 0.021 0.000 1.902 223 A HA -0.163 4.157 4.320 0.000 0.000 0.217 223 A C 2.221 179.894 177.584 0.149 0.000 1.181 223 A CA 1.500 53.599 52.037 0.103 0.000 0.623 223 A CB -0.647 18.438 19.000 0.141 0.000 0.818 223 A HN 0.352 nan 8.150 nan 0.000 0.443 224 L N -0.170 121.121 121.223 0.113 0.000 2.012 224 L HA -0.140 4.200 4.340 0.000 0.000 0.210 224 L C 2.455 179.417 176.870 0.154 0.000 1.073 224 L CA 2.897 57.835 54.840 0.163 0.000 0.748 224 L CB -1.172 40.964 42.059 0.130 0.000 0.891 224 L HN 0.375 nan 8.230 nan 0.000 0.431 225 T N -0.994 113.615 114.554 0.091 0.000 2.652 225 T HA -0.197 4.153 4.350 0.000 0.000 0.267 225 T C 1.752 176.485 174.700 0.055 0.000 1.039 225 T CA 2.071 64.204 62.100 0.054 0.000 1.153 225 T CB -0.562 68.326 68.868 0.032 0.000 0.863 225 T HN 0.465 nan 8.240 nan 0.000 0.428 226 T N 1.822 116.425 114.554 0.081 0.000 2.635 226 T HA -0.120 4.231 4.350 0.000 0.000 0.267 226 T C 1.536 176.302 174.700 0.109 0.000 1.040 226 T CA 1.426 63.578 62.100 0.088 0.000 1.156 226 T CB -0.569 68.365 68.868 0.111 0.000 0.863 226 T HN 0.336 nan 8.240 nan 0.000 0.430 227 F N 1.498 121.460 119.950 0.019 0.000 2.069 227 F HA -0.055 4.472 4.527 0.000 0.000 0.298 227 F C 2.065 177.824 175.800 -0.068 0.000 1.113 227 F CA 1.046 59.034 58.000 -0.019 0.000 1.214 227 F CB -0.594 38.371 39.000 -0.058 0.000 0.978 227 F HN 0.102 nan 8.300 nan 0.000 0.474 228 I N 0.427 120.851 120.570 -0.243 0.000 2.361 228 I HA -0.311 3.859 4.170 0.000 0.000 0.251 228 I C 1.361 177.335 176.117 -0.239 0.000 1.133 228 I CA 1.222 62.319 61.300 -0.339 0.000 1.413 228 I CB -0.529 37.385 38.000 -0.144 0.000 1.073 228 I HN 0.202 nan 8.210 nan 0.000 0.424 229 N N 0.480 119.101 118.700 -0.131 0.000 2.398 229 N HA 0.063 4.803 4.740 0.000 0.000 0.188 229 N C 0.857 176.340 175.510 -0.046 0.000 1.122 229 N CA 0.642 53.648 53.050 -0.072 0.000 0.866 229 N CB 0.823 39.287 38.487 -0.039 0.000 0.970 229 N HN 0.428 nan 8.380 nan 0.000 0.462 230 G N 0.930 109.677 108.800 -0.088 0.000 2.825 230 G HA2 0.127 4.087 3.960 0.000 0.000 0.191 230 G HA3 0.127 4.087 3.960 0.000 0.000 0.191 230 G C -1.586 173.262 174.900 -0.087 0.000 1.708 230 G CA -0.097 44.977 45.100 -0.043 0.000 0.813 230 G HN -0.060 nan 8.290 nan 0.000 0.799 231 P HA -0.133 nan 4.420 nan 0.000 0.218 231 P C 2.071 179.253 177.300 -0.196 0.000 1.150 231 P CA 0.954 64.032 63.100 -0.036 0.000 0.841 231 P CB 0.000 31.809 31.700 0.181 0.000 0.784 232 L N -0.718 120.087 121.223 -0.695 0.000 2.043 232 L HA -0.189 4.151 4.340 0.000 0.000 0.212 232 L C 2.113 178.932 176.870 -0.085 0.000 1.075 232 L CA 1.747 56.201 54.840 -0.643 0.000 0.752 232 L CB -1.524 40.039 42.059 -0.827 0.000 0.891 232 L HN -0.101 nan 8.230 nan 0.000 0.432 233 L N -0.058 121.149 121.223 -0.026 0.000 2.043 233 L HA -0.219 4.121 4.340 0.000 0.000 0.212 233 L C 1.884 178.664 176.870 -0.150 0.000 1.075 233 L CA 1.996 56.711 54.840 -0.208 0.000 0.752 233 L CB -0.581 41.379 42.059 -0.166 0.000 0.891 233 L HN 0.447 nan 8.230 nan 0.000 0.432 234 E N -2.433 117.750 120.200 -0.030 0.000 2.437 234 E HA -0.040 4.310 4.350 0.000 0.000 0.195 234 E C 1.010 177.680 176.600 0.117 0.000 1.029 234 E CA -0.119 56.292 56.400 0.018 0.000 0.948 234 E CB -0.013 29.698 29.700 0.018 0.000 1.082 234 E HN 0.494 nan 8.360 nan 0.000 0.456 235 Y N 0.818 121.139 120.300 0.035 0.000 2.128 235 Y HA -0.304 4.246 4.550 0.000 0.000 0.284 235 Y C 2.496 178.476 175.900 0.133 0.000 1.154 235 Y CA 1.975 60.157 58.100 0.138 0.000 1.149 235 Y CB -0.184 38.404 38.460 0.212 0.000 0.976 235 Y HN 0.097 nan 8.280 nan 0.000 0.505 236 S N 0.036 115.851 115.700 0.192 0.000 2.355 236 S HA -0.224 4.246 4.470 0.000 0.000 0.222 236 S C 2.018 176.628 174.600 0.017 0.000 1.031 236 S CA 1.599 59.849 58.200 0.085 0.000 0.993 236 S CB -0.530 62.738 63.200 0.113 0.000 0.859 236 S HN 0.609 nan 8.310 nan 0.000 0.453 237 K N -0.005 120.406 120.400 0.019 0.000 2.525 237 K HA 0.096 4.416 4.320 0.000 0.000 0.192 237 K C 0.180 176.786 176.600 0.011 0.000 1.029 237 K CA 0.772 57.063 56.287 0.007 0.000 1.029 237 K CB -0.081 32.418 32.500 -0.002 0.000 0.814 237 K HN 0.219 nan 8.250 nan 0.000 0.503 238 N N 1.124 119.828 118.700 0.005 0.000 2.235 238 N HA 0.075 4.816 4.740 0.000 0.000 0.231 238 N C 0.041 175.555 175.510 0.006 0.000 1.177 238 N CA -0.040 53.023 53.050 0.022 0.000 0.874 238 N CB 0.724 39.247 38.487 0.061 0.000 1.097 238 N HN 0.261 nan 8.380 nan 0.000 0.518 239 R N 0.299 120.785 120.500 -0.022 0.000 2.237 239 R HA 0.104 4.444 4.340 0.000 0.000 0.219 239 R C 0.955 177.323 176.300 0.114 0.000 1.080 239 R CA 0.874 56.976 56.100 0.003 0.000 0.995 239 R CB -0.141 30.157 30.300 -0.004 0.000 0.875 239 R HN 0.037 nan 8.270 nan 0.000 0.462 240 R N 0.857 121.426 120.500 0.116 0.000 2.609 240 R HA 0.193 4.533 4.340 0.000 0.000 0.326 240 R C -0.422 175.965 176.300 0.144 0.000 1.090 240 R CA -0.179 56.065 56.100 0.239 0.000 1.072 240 R CB 0.517 30.875 30.300 0.098 0.000 1.330 240 R HN -0.015 nan 8.270 nan 0.000 0.572 241 K N 0.896 121.295 120.400 -0.002 0.000 2.263 241 K HA 0.305 4.625 4.320 0.000 0.000 0.272 241 K C 0.494 176.911 176.600 -0.306 0.000 1.033 241 K CA -0.151 56.111 56.287 -0.041 0.000 0.884 241 K CB 1.931 34.458 32.500 0.045 0.000 1.107 241 K HN 0.027 nan 8.250 nan 0.000 0.460 242 A N 2.484 125.140 122.820 -0.274 0.000 1.897 242 A HA -0.097 4.223 4.320 0.000 0.000 0.215 242 A C 0.612 178.062 177.584 -0.223 0.000 1.181 242 A CA 1.434 53.165 52.037 -0.509 0.000 0.620 242 A CB 0.081 18.678 19.000 -0.672 0.000 0.821 242 A HN 0.637 nan 8.150 nan 0.000 0.443 243 D N -0.370 120.089 120.400 0.098 0.000 2.879 243 D HA 0.417 5.057 4.640 0.000 0.000 0.351 243 D C -1.181 175.326 176.300 0.344 0.000 1.239 243 D CA 0.056 54.286 54.000 0.383 0.000 0.771 243 D CB 0.488 41.703 40.800 0.692 0.000 1.176 243 D HN 0.117 nan 8.370 nan 0.000 0.496 244 S N -0.348 115.551 115.700 0.331 0.000 2.570 244 S HA 0.651 5.121 4.470 0.000 0.000 0.286 244 S C 0.277 175.123 174.600 0.411 0.000 1.099 244 S CA -0.845 57.532 58.200 0.296 0.000 0.913 244 S CB 1.949 65.275 63.200 0.210 0.000 1.085 244 S HN 0.226 nan 8.310 nan 0.000 0.480 245 A N 1.651 124.679 122.820 0.347 0.000 2.863 245 A HA 0.245 4.566 4.320 0.000 0.000 0.246 245 A C 1.338 179.191 177.584 0.449 0.000 1.772 245 A CA 0.307 52.635 52.037 0.486 0.000 1.456 245 A CB -1.486 17.653 19.000 0.232 0.000 0.930 245 A HN 0.826 nan 8.150 nan 0.000 0.630 246 T N -3.176 111.612 114.554 0.389 0.000 3.069 246 T HA 0.179 4.529 4.350 0.000 0.000 0.252 246 T C 0.851 175.754 174.700 0.339 0.000 1.053 246 T CA 0.639 62.926 62.100 0.311 0.000 0.964 246 T CB -0.316 68.691 68.868 0.233 0.000 1.005 246 T HN 0.597 nan 8.240 nan 0.000 0.532 247 T N -0.845 113.778 114.554 0.115 0.000 2.841 247 T HA 0.542 4.892 4.350 0.000 0.000 0.276 247 T C 1.501 175.954 174.700 -0.411 0.000 1.003 247 T CA -0.009 62.058 62.100 -0.055 0.000 0.995 247 T CB 1.498 70.195 68.868 -0.285 0.000 1.260 247 T HN 0.073 nan 8.240 nan 0.000 0.581 248 S N -0.460 114.777 115.700 -0.772 0.000 2.414 248 S HA 0.039 4.509 4.470 0.000 0.000 0.227 248 S C 0.686 175.196 174.600 -0.150 0.000 1.022 248 S CA 0.378 58.102 58.200 -0.794 0.000 0.958 248 S CB -1.162 61.413 63.200 -1.041 0.000 0.797 248 S HN 0.873 nan 8.310 nan 0.000 0.493 249 F N -0.368 119.620 119.950 0.063 0.000 3.018 249 F HA -0.158 4.369 4.527 0.000 0.000 0.287 249 F C 0.757 176.726 175.800 0.282 0.000 0.813 249 F CA 0.388 58.468 58.000 0.133 0.000 1.209 249 F CB -2.264 36.735 39.000 -0.001 0.000 1.321 249 F HN 0.223 nan 8.300 nan 0.000 0.477 250 L N -0.554 120.852 121.223 0.304 0.000 2.529 250 L HA -0.023 4.317 4.340 0.000 0.000 0.223 250 L C 2.279 179.320 176.870 0.285 0.000 1.113 250 L CA 0.854 55.909 54.840 0.358 0.000 0.861 250 L CB -0.330 41.863 42.059 0.223 0.000 1.012 250 L HN 0.410 nan 8.230 nan 0.000 0.461 251 S N 0.704 116.539 115.700 0.224 0.000 2.365 251 S HA -0.132 4.338 4.470 0.000 0.000 0.225 251 S C -0.469 174.115 174.600 -0.027 0.000 1.039 251 S CA 1.204 59.475 58.200 0.119 0.000 1.033 251 S CB -1.782 61.502 63.200 0.141 0.000 0.887 251 S HN 0.222 nan 8.310 nan 0.000 0.447 252 P HA -0.072 nan 4.420 nan 0.000 0.216 252 P C 1.407 178.390 177.300 -0.529 0.000 1.153 252 P CA 1.416 64.022 63.100 -0.822 0.000 0.848 252 P CB -0.226 30.355 31.700 -1.864 0.000 0.787 253 H N -0.697 118.352 119.070 -0.035 0.000 2.293 253 H HA -0.044 4.512 4.556 0.000 0.000 0.300 253 H C 2.104 177.568 175.328 0.226 0.000 1.082 253 H CA 1.193 57.427 56.048 0.310 0.000 1.308 253 H CB -0.994 28.986 29.762 0.362 0.000 1.375 253 H HN 0.105 nan 8.280 nan 0.000 0.495 254 L N -0.031 121.357 121.223 0.277 0.000 2.042 254 L HA -0.238 4.102 4.340 0.000 0.000 0.210 254 L C 2.676 179.615 176.870 0.116 0.000 1.076 254 L CA 1.513 56.464 54.840 0.185 0.000 0.749 254 L CB -0.536 41.602 42.059 0.132 0.000 0.893 254 L HN 0.316 nan 8.230 nan 0.000 0.432 255 H N -0.223 118.816 119.070 -0.050 0.000 2.390 255 H HA -0.211 4.345 4.556 0.000 0.000 0.298 255 H C 1.262 176.472 175.328 -0.197 0.000 1.106 255 H CA 1.787 57.717 56.048 -0.196 0.000 1.297 255 H CB -0.020 29.476 29.762 -0.443 0.000 1.375 255 H HN 0.235 nan 8.280 nan 0.000 0.509 256 F N -0.361 119.589 119.950 -0.000 0.000 2.668 256 F HA 0.288 4.815 4.527 0.000 0.000 0.297 256 F C 1.698 177.568 175.800 0.116 0.000 1.124 256 F CA 0.369 58.392 58.000 0.039 0.000 1.353 256 F CB 0.312 39.412 39.000 0.167 0.000 0.992 256 F HN 0.342 nan 8.300 nan 0.000 0.524 257 G N 0.679 109.621 108.800 0.237 0.000 2.258 257 G HA2 -0.362 3.598 3.960 0.000 0.000 0.274 257 G HA3 -0.362 3.598 3.960 0.000 0.000 0.274 257 G C 1.021 176.087 174.900 0.277 0.000 1.021 257 G CA 0.630 45.867 45.100 0.229 0.000 0.798 257 G HN 0.502 nan 8.290 nan 0.000 0.507 258 E N -1.425 118.988 120.200 0.355 0.000 2.427 258 E HA 0.232 4.582 4.350 0.000 0.000 0.196 258 E C 0.636 177.443 176.600 0.345 0.000 1.028 258 E CA 0.689 57.328 56.400 0.399 0.000 0.864 258 E CB 0.465 30.484 29.700 0.532 0.000 0.813 258 E HN 0.392 nan 8.360 nan 0.000 0.514 259 V N 0.654 120.734 119.914 0.276 0.000 2.733 259 V HA 0.113 4.233 4.120 0.000 0.000 0.306 259 V C -0.512 175.686 176.094 0.172 0.000 1.084 259 V CA -0.958 61.470 62.300 0.212 0.000 0.905 259 V CB 2.000 33.936 31.823 0.189 0.000 1.010 259 V HN -0.062 nan 8.190 nan 0.000 0.424 260 S N 3.028 118.812 115.700 0.140 0.000 2.455 260 S HA 0.175 4.645 4.470 0.000 0.000 0.278 260 S C 1.278 175.954 174.600 0.128 0.000 1.216 260 S CA -0.072 58.197 58.200 0.115 0.000 1.055 260 S CB 1.107 64.357 63.200 0.083 0.000 0.939 260 S HN 1.121 nan 8.310 nan 0.000 0.494 261 V N 4.560 124.546 119.914 0.120 0.000 2.594 261 V HA -0.083 4.037 4.120 0.000 0.000 0.253 261 V C 2.280 178.475 176.094 0.168 0.000 1.069 261 V CA 1.569 63.951 62.300 0.136 0.000 1.082 261 V CB -0.908 30.973 31.823 0.097 0.000 0.680 261 V HN 0.814 nan 8.190 nan 0.000 0.469 262 R N 0.477 121.050 120.500 0.121 0.000 2.115 262 R HA -0.044 4.296 4.340 0.000 0.000 0.230 262 R C 2.508 178.937 176.300 0.215 0.000 1.111 262 R CA 1.706 57.888 56.100 0.138 0.000 0.976 262 R CB -0.342 29.992 30.300 0.057 0.000 0.870 262 R HN 0.650 nan 8.270 nan 0.000 0.445 263 K N 0.163 120.658 120.400 0.159 0.000 2.062 263 K HA -0.070 4.250 4.320 0.000 0.000 0.205 263 K C 1.767 178.481 176.600 0.190 0.000 1.051 263 K CA 1.160 57.530 56.287 0.137 0.000 0.941 263 K CB 0.144 32.695 32.500 0.085 0.000 0.719 263 K HN -0.003 nan 8.250 nan 0.000 0.440 264 V N 1.406 121.446 119.914 0.209 0.000 2.332 264 V HA -0.256 3.864 4.120 0.000 0.000 0.248 264 V C 2.125 178.382 176.094 0.271 0.000 1.055 264 V CA 2.002 64.450 62.300 0.246 0.000 1.038 264 V CB -0.639 31.344 31.823 0.267 0.000 0.651 264 V HN 0.338 nan 8.190 nan 0.000 0.450 265 F N 0.476 120.522 119.950 0.160 0.000 2.171 265 F HA -0.185 4.342 4.527 0.000 0.000 0.300 265 F C 2.394 178.276 175.800 0.136 0.000 1.090 265 F CA 2.232 60.319 58.000 0.144 0.000 1.293 265 F CB -0.461 38.596 39.000 0.094 0.000 1.013 265 F HN 0.284 nan 8.300 nan 0.000 0.486 266 H N -0.163 118.947 119.070 0.066 0.000 2.299 266 H HA -0.117 4.439 4.556 0.000 0.000 0.302 266 H C 2.215 177.479 175.328 -0.106 0.000 1.078 266 H CA 2.306 58.336 56.048 -0.029 0.000 1.323 266 H CB -0.219 29.580 29.762 0.062 0.000 1.381 266 H HN 0.297 nan 8.280 nan 0.000 0.498 267 L N -0.315 121.010 121.223 0.171 0.000 2.046 267 L HA -0.166 4.174 4.340 0.000 0.000 0.208 267 L C 2.498 179.333 176.870 -0.058 0.000 1.077 267 L CA 0.906 55.784 54.840 0.063 0.000 0.747 267 L CB -0.367 41.725 42.059 0.055 0.000 0.896 267 L HN 0.240 nan 8.230 nan 0.000 0.432 268 V N -0.095 119.786 119.914 -0.054 0.000 2.427 268 V HA -0.234 3.886 4.120 0.000 0.000 0.248 268 V C 2.660 178.630 176.094 -0.207 0.000 1.051 268 V CA 1.684 63.935 62.300 -0.082 0.000 1.048 268 V CB -0.573 31.298 31.823 0.079 0.000 0.666 268 V HN 0.402 nan 8.190 nan 0.000 0.456 269 R N 0.512 120.794 120.500 -0.363 0.000 2.115 269 R HA -0.065 4.275 4.340 0.000 0.000 0.230 269 R C 1.870 178.005 176.300 -0.274 0.000 1.111 269 R CA 1.600 57.455 56.100 -0.408 0.000 0.976 269 R CB -0.480 29.423 30.300 -0.662 0.000 0.870 269 R HN 0.376 nan 8.270 nan 0.000 0.445 270 I N 0.345 120.771 120.570 -0.240 0.000 2.353 270 I HA -0.117 4.053 4.170 0.000 0.000 0.248 270 I C 1.878 177.841 176.117 -0.256 0.000 1.119 270 I CA 1.079 62.260 61.300 -0.198 0.000 1.417 270 I CB -0.855 37.074 38.000 -0.119 0.000 1.078 270 I HN 0.108 nan 8.210 nan 0.000 0.421 271 K N 1.113 121.309 120.400 -0.339 0.000 2.025 271 K HA -0.198 4.122 4.320 0.000 0.000 0.207 271 K C 2.165 178.465 176.600 -0.499 0.000 1.049 271 K CA 1.290 57.210 56.287 -0.611 0.000 0.933 271 K CB -0.351 31.692 32.500 -0.762 0.000 0.714 271 K HN 0.289 nan 8.250 nan 0.000 0.438 272 Q N -0.040 119.623 119.800 -0.228 0.000 2.112 272 Q HA -0.179 4.161 4.340 0.000 0.000 0.206 272 Q C 1.744 177.732 176.000 -0.020 0.000 0.987 272 Q CA 1.994 57.782 55.803 -0.025 0.000 0.858 272 Q CB -0.023 28.706 28.738 -0.015 0.000 0.905 272 Q HN 0.150 nan 8.270 nan 0.000 0.420 273 V N 0.968 120.828 119.914 -0.090 0.000 2.343 273 V HA -0.262 3.858 4.120 0.000 0.000 0.247 273 V C 2.420 178.486 176.094 -0.047 0.000 1.051 273 V CA 1.754 64.019 62.300 -0.060 0.000 1.036 273 V CB -1.121 30.652 31.823 -0.082 0.000 0.654 273 V HN 0.554 nan 8.190 nan 0.000 0.451 274 A N -0.835 121.913 122.820 -0.121 0.000 1.908 274 A HA -0.229 4.091 4.320 0.000 0.000 0.218 274 A C 1.982 179.579 177.584 0.021 0.000 1.181 274 A CA 1.898 53.868 52.037 -0.112 0.000 0.627 274 A CB -0.662 18.187 19.000 -0.253 0.000 0.818 274 A HN 0.658 nan 8.150 nan 0.000 0.445 275 W N -0.564 120.720 121.300 -0.027 0.000 2.476 275 W HA 0.150 4.810 4.660 0.000 0.000 0.281 275 W C 2.727 179.237 176.519 -0.015 0.000 1.230 275 W CA 0.367 57.700 57.345 -0.021 0.000 1.287 275 W CB -1.002 28.445 29.460 -0.021 0.000 1.108 275 W HN 0.455 nan 8.180 nan 0.000 0.567 276 A N 0.635 123.570 122.820 0.191 0.000 1.877 276 A HA -0.266 4.054 4.320 0.000 0.000 0.216 276 A C 1.949 179.582 177.584 0.081 0.000 1.186 276 A CA 2.123 54.225 52.037 0.110 0.000 0.620 276 A CB -1.125 17.915 19.000 0.066 0.000 0.822 276 A HN 0.309 nan 8.150 nan 0.000 0.443 277 N N 0.197 118.938 118.700 0.068 0.000 2.036 277 N HA -0.212 4.528 4.740 0.000 0.000 0.195 277 N C 1.546 177.091 175.510 0.059 0.000 1.037 277 N CA 2.247 55.326 53.050 0.048 0.000 0.855 277 N CB -0.415 38.090 38.487 0.030 0.000 1.033 277 N HN 0.618 nan 8.380 nan 0.000 0.423 278 E N -1.077 119.178 120.200 0.092 0.000 2.333 278 E HA 0.020 4.370 4.350 0.000 0.000 0.198 278 E C 0.735 177.374 176.600 0.064 0.000 1.007 278 E CA 0.561 57.015 56.400 0.090 0.000 0.845 278 E CB -0.318 29.471 29.700 0.149 0.000 0.766 278 E HN 0.560 nan 8.360 nan 0.000 0.507 279 G N 2.341 111.180 108.800 0.066 0.000 2.246 279 G HA2 -0.288 3.673 3.960 0.000 0.000 0.273 279 G HA3 -0.288 3.673 3.960 0.000 0.000 0.273 279 G C -0.148 174.759 174.900 0.012 0.000 1.055 279 G CA 0.220 45.342 45.100 0.037 0.000 0.851 279 G HN 0.226 nan 8.290 nan 0.000 0.500 280 N N 0.520 119.225 118.700 0.008 0.000 2.521 280 N HA 0.243 4.983 4.740 0.000 0.000 0.236 280 N C 1.326 176.765 175.510 -0.118 0.000 1.067 280 N CA 0.042 53.035 53.050 -0.095 0.000 0.939 280 N CB 0.401 38.759 38.487 -0.215 0.000 1.201 280 N HN 0.577 nan 8.380 nan 0.000 0.511 281 E N 2.153 122.302 120.200 -0.084 0.000 2.085 281 E HA -0.200 4.150 4.350 0.000 0.000 0.194 281 E C 1.651 178.193 176.600 -0.097 0.000 0.994 281 E CA 1.760 58.123 56.400 -0.063 0.000 0.801 281 E CB 0.073 29.748 29.700 -0.041 0.000 0.743 281 E HN 0.734 nan 8.360 nan 0.000 0.453 282 A N 0.984 123.712 122.820 -0.152 0.000 1.883 282 A HA -0.168 4.152 4.320 0.000 0.000 0.217 282 A C 2.451 179.888 177.584 -0.245 0.000 1.186 282 A CA 1.939 53.874 52.037 -0.170 0.000 0.624 282 A CB -1.390 17.492 19.000 -0.197 0.000 0.822 282 A HN 0.395 nan 8.150 nan 0.000 0.444 283 G N -0.577 107.927 108.800 -0.494 0.000 2.446 283 G HA2 -0.247 3.713 3.960 0.000 0.000 0.217 283 G HA3 -0.247 3.713 3.960 0.000 0.000 0.217 283 G C 1.431 176.263 174.900 -0.112 0.000 1.168 283 G CA 1.125 45.753 45.100 -0.787 0.000 0.771 283 G HN 0.673 nan 8.290 nan 0.000 0.551 284 E N 0.011 120.214 120.200 0.004 0.000 2.031 284 E HA -0.131 4.219 4.350 0.000 0.000 0.193 284 E C 2.324 178.995 176.600 0.118 0.000 0.994 284 E CA 1.061 57.538 56.400 0.128 0.000 0.800 284 E CB -0.195 29.559 29.700 0.090 0.000 0.752 284 E HN 0.604 nan 8.360 nan 0.000 0.447 285 E N 0.505 120.744 120.200 0.066 0.000 2.070 285 E HA -0.212 4.138 4.350 0.000 0.000 0.197 285 E C 2.145 178.837 176.600 0.154 0.000 1.004 285 E CA 1.368 57.823 56.400 0.091 0.000 0.805 285 E CB 0.037 29.767 29.700 0.051 0.000 0.744 285 E HN 0.026 nan 8.360 nan 0.000 0.451 286 S N -0.369 115.414 115.700 0.138 0.000 2.382 286 S HA -0.127 4.343 4.470 0.000 0.000 0.228 286 S C 1.934 176.730 174.600 0.326 0.000 1.027 286 S CA 0.914 59.267 58.200 0.255 0.000 0.991 286 S CB -0.052 63.240 63.200 0.154 0.000 0.823 286 S HN 0.153 nan 8.310 nan 0.000 0.469 287 V N 2.624 122.710 119.914 0.286 0.000 2.427 287 V HA -0.140 3.980 4.120 0.000 0.000 0.248 287 V C 2.136 178.409 176.094 0.298 0.000 1.051 287 V CA 1.411 63.897 62.300 0.310 0.000 1.048 287 V CB -0.604 31.401 31.823 0.302 0.000 0.666 287 V HN 0.448 nan 8.190 nan 0.000 0.456 288 N N -0.032 118.823 118.700 0.257 0.000 2.106 288 N HA -0.115 4.625 4.740 0.000 0.000 0.188 288 N C 1.808 177.491 175.510 0.289 0.000 1.029 288 N CA 1.365 54.567 53.050 0.252 0.000 0.848 288 N CB -0.379 38.226 38.487 0.196 0.000 1.007 288 N HN 0.385 nan 8.380 nan 0.000 0.423 289 L N -0.191 121.222 121.223 0.317 0.000 2.046 289 L HA -0.151 4.190 4.340 0.000 0.000 0.208 289 L C 2.213 179.332 176.870 0.415 0.000 1.077 289 L CA 1.105 56.160 54.840 0.360 0.000 0.747 289 L CB -0.269 42.037 42.059 0.412 0.000 0.896 289 L HN 0.017 nan 8.230 nan 0.000 0.432 290 F N 0.066 120.146 119.950 0.217 0.000 2.134 290 F HA -0.245 4.282 4.527 0.000 0.000 0.299 290 F C 2.112 177.932 175.800 0.034 0.000 1.097 290 F CA 1.568 59.495 58.000 -0.122 0.000 1.264 290 F CB -0.241 38.531 39.000 -0.381 0.000 1.001 290 F HN -0.050 nan 8.300 nan 0.000 0.479 291 L N 0.214 121.519 121.223 0.136 0.000 2.083 291 L HA -0.248 4.092 4.340 0.000 0.000 0.209 291 L C 2.580 179.480 176.870 0.051 0.000 1.083 291 L CA 1.707 56.662 54.840 0.192 0.000 0.752 291 L CB -0.664 41.659 42.059 0.441 0.000 0.899 291 L HN 0.130 nan 8.230 nan 0.000 0.433 292 K N -0.357 120.079 120.400 0.060 0.000 2.147 292 K HA -0.148 4.172 4.320 0.000 0.000 0.205 292 K C 2.137 178.532 176.600 -0.342 0.000 1.049 292 K CA 1.467 57.669 56.287 -0.143 0.000 0.936 292 K CB 0.112 32.651 32.500 0.065 0.000 0.722 292 K HN 0.173 nan 8.250 nan 0.000 0.446 293 S N 1.169 116.696 115.700 -0.288 0.000 2.355 293 S HA -0.083 4.387 4.470 0.000 0.000 0.222 293 S C 1.820 176.162 174.600 -0.431 0.000 1.031 293 S CA 0.984 58.976 58.200 -0.348 0.000 0.993 293 S CB -0.126 62.884 63.200 -0.316 0.000 0.859 293 S HN 0.249 nan 8.310 nan 0.000 0.453 294 I N 1.968 122.230 120.570 -0.513 0.000 2.286 294 I HA -0.111 4.060 4.170 0.000 0.000 0.248 294 I C 2.601 178.468 176.117 -0.416 0.000 1.115 294 I CA 1.255 62.332 61.300 -0.372 0.000 1.392 294 I CB -2.025 35.836 38.000 -0.230 0.000 1.065 294 I HN 0.344 nan 8.210 nan 0.000 0.418 295 G N 0.849 109.145 108.800 -0.840 0.000 2.418 295 G HA2 -0.196 3.764 3.960 0.000 0.000 0.217 295 G HA3 -0.196 3.764 3.960 0.000 0.000 0.217 295 G C 1.826 176.554 174.900 -0.287 0.000 1.158 295 G CA 0.334 44.568 45.100 -1.444 0.000 0.771 295 G HN 0.338 nan 8.290 nan 0.000 0.545 296 L N -0.126 120.886 121.223 -0.352 0.000 2.131 296 L HA -0.003 4.337 4.340 0.000 0.000 0.210 296 L C 2.888 179.683 176.870 -0.125 0.000 1.092 296 L CA 1.102 55.731 54.840 -0.352 0.000 0.759 296 L CB -0.270 41.441 42.059 -0.581 0.000 0.903 296 L HN 0.218 nan 8.230 nan 0.000 0.435 297 R N 0.115 120.535 120.500 -0.133 0.000 2.073 297 R HA -0.133 4.207 4.340 0.000 0.000 0.229 297 R C 2.117 178.418 176.300 0.001 0.000 1.120 297 R CA 1.095 57.156 56.100 -0.065 0.000 0.967 297 R CB -0.009 30.249 30.300 -0.069 0.000 0.862 297 R HN 0.273 nan 8.270 nan 0.000 0.436 298 E N -0.022 120.206 120.200 0.047 0.000 2.118 298 E HA -0.244 4.106 4.350 0.000 0.000 0.195 298 E C 1.708 178.400 176.600 0.152 0.000 0.992 298 E CA 1.144 57.635 56.400 0.152 0.000 0.804 298 E CB -0.370 29.529 29.700 0.332 0.000 0.741 298 E HN 0.424 nan 8.360 nan 0.000 0.458 299 Y N 1.998 122.281 120.300 -0.028 0.000 2.293 299 Y HA -0.202 4.348 4.550 0.000 0.000 0.291 299 Y C 2.630 178.448 175.900 -0.136 0.000 1.137 299 Y CA 1.401 59.300 58.100 -0.335 0.000 1.202 299 Y CB -0.307 38.101 38.460 -0.087 0.000 0.990 299 Y HN 0.045 nan 8.280 nan 0.000 0.537 300 S N -0.250 115.403 115.700 -0.078 0.000 2.382 300 S HA -0.199 4.271 4.470 0.000 0.000 0.228 300 S C 2.042 176.590 174.600 -0.087 0.000 1.027 300 S CA 1.197 59.330 58.200 -0.111 0.000 0.991 300 S CB -0.314 62.863 63.200 -0.039 0.000 0.823 300 S HN 0.340 nan 8.310 nan 0.000 0.469 301 R N -0.100 120.364 120.500 -0.061 0.000 2.090 301 R HA 0.183 4.523 4.340 0.000 0.000 0.228 301 R C 2.029 178.317 176.300 -0.021 0.000 1.110 301 R CA 1.309 57.374 56.100 -0.057 0.000 0.973 301 R CB -1.294 28.863 30.300 -0.238 0.000 0.869 301 R HN 0.615 nan 8.270 nan 0.000 0.440 302 Y N 0.740 120.899 120.300 -0.235 0.000 2.097 302 Y HA -0.200 4.350 4.550 0.000 0.000 0.282 302 Y C 1.902 177.735 175.900 -0.111 0.000 1.152 302 Y CA 1.679 59.655 58.100 -0.206 0.000 1.136 302 Y CB -0.205 37.968 38.460 -0.479 0.000 0.975 302 Y HN -0.039 nan 8.280 nan 0.000 0.498 303 I N -1.309 119.187 120.570 -0.124 0.000 2.226 303 I HA -0.338 3.833 4.170 0.000 0.000 0.245 303 I C 2.723 178.886 176.117 0.078 0.000 1.100 303 I CA 1.726 62.997 61.300 -0.049 0.000 1.374 303 I CB -0.594 37.258 38.000 -0.247 0.000 1.057 303 I HN 0.213 nan 8.210 nan 0.000 0.413 304 S N 0.418 116.145 115.700 0.046 0.000 2.382 304 S HA -0.220 4.250 4.470 0.000 0.000 0.228 304 S C 1.992 176.651 174.600 0.099 0.000 1.027 304 S CA 1.333 59.577 58.200 0.074 0.000 0.991 304 S CB -0.351 62.889 63.200 0.067 0.000 0.823 304 S HN 0.433 nan 8.310 nan 0.000 0.469 305 F N 2.569 122.513 119.950 -0.009 0.000 2.163 305 F HA 0.110 4.637 4.527 0.000 0.000 0.297 305 F C 1.578 177.325 175.800 -0.088 0.000 1.094 305 F CA 1.240 59.242 58.000 0.004 0.000 1.290 305 F CB -0.200 38.848 39.000 0.079 0.000 1.017 305 F HN 0.219 nan 8.300 nan 0.000 0.483 306 N N -0.405 118.295 118.700 0.001 0.000 2.370 306 N HA -0.007 4.733 4.740 0.000 0.000 0.198 306 N C -0.800 174.385 175.510 -0.541 0.000 1.156 306 N CA 0.515 53.401 53.050 -0.273 0.000 0.839 306 N CB -0.312 37.961 38.487 -0.356 0.000 0.989 306 N HN 0.414 nan 8.380 nan 0.000 0.468 307 H N -1.330 117.695 119.070 -0.074 0.000 2.734 307 H HA 0.151 4.708 4.556 0.000 0.000 0.247 307 H C -2.077 173.213 175.328 -0.065 0.000 1.415 307 H CA -0.914 55.117 56.048 -0.028 0.000 1.514 307 H CB 1.505 31.274 29.762 0.012 0.000 1.841 307 H HN -0.057 nan 8.280 nan 0.000 0.609 308 P HA -0.123 nan 4.420 nan 0.000 0.227 308 P C 0.192 177.238 177.300 -0.423 0.000 1.145 308 P CA 1.351 64.244 63.100 -0.344 0.000 0.769 308 P CB -0.078 31.272 31.700 -0.582 0.000 0.769 309 Y N -2.117 118.261 120.300 0.129 0.000 2.706 309 Y HA 0.153 4.703 4.550 0.000 0.000 0.255 309 Y C 1.954 177.989 175.900 0.225 0.000 1.163 309 Y CA -0.204 58.016 58.100 0.200 0.000 1.174 309 Y CB -0.643 37.880 38.460 0.105 0.000 1.200 309 Y HN -0.022 nan 8.280 nan 0.000 0.544 310 S N -0.274 115.604 115.700 0.297 0.000 2.440 310 S HA -0.247 4.223 4.470 0.000 0.000 0.238 310 S C 1.730 176.502 174.600 0.286 0.000 1.010 310 S CA 1.734 60.066 58.200 0.220 0.000 0.972 310 S CB -0.623 62.644 63.200 0.112 0.000 0.774 310 S HN 0.670 nan 8.310 nan 0.000 0.501 311 H N 0.555 119.684 119.070 0.097 0.000 2.559 311 H HA 0.293 4.849 4.556 0.000 0.000 0.273 311 H C 0.961 176.403 175.328 0.189 0.000 1.000 311 H CA 1.152 57.245 56.048 0.075 0.000 1.195 311 H CB -0.342 29.308 29.762 -0.187 0.000 1.368 311 H HN 0.716 nan 8.280 nan 0.000 0.592 312 E N -0.134 120.019 120.200 -0.079 0.000 2.614 312 E HA 0.200 4.550 4.350 0.000 0.000 0.201 312 E C 0.062 176.691 176.600 0.049 0.000 0.889 312 E CA -0.433 55.866 56.400 -0.167 0.000 1.564 312 E CB 0.936 30.394 29.700 -0.404 0.000 1.623 312 E HN 0.021 nan 8.360 nan 0.000 0.898 313 R N 2.833 123.429 120.500 0.159 0.000 2.294 313 R HA 0.356 4.696 4.340 0.000 0.000 0.319 313 R C -2.491 173.951 176.300 0.236 0.000 0.984 313 R CA -2.191 54.011 56.100 0.171 0.000 0.861 313 R CB 0.905 31.281 30.300 0.127 0.000 1.104 313 R HN 0.074 nan 8.270 nan 0.000 0.451 314 P HA 0.156 nan 4.420 nan 0.000 0.278 314 P C 0.753 178.071 177.300 0.030 0.000 1.238 314 P CA -0.417 62.759 63.100 0.127 0.000 0.794 314 P CB 1.086 32.885 31.700 0.165 0.000 0.955 315 L N 1.144 122.331 121.223 -0.060 0.000 2.005 315 L HA -0.022 4.318 4.340 0.000 0.000 0.207 315 L C 1.381 178.244 176.870 -0.010 0.000 1.072 315 L CA 1.277 56.050 54.840 -0.112 0.000 0.744 315 L CB -0.621 41.306 42.059 -0.220 0.000 0.895 315 L HN 0.313 nan 8.230 nan 0.000 0.433 316 L N -0.214 121.025 121.223 0.026 0.000 2.375 316 L HA 0.255 4.596 4.340 0.000 0.000 0.271 316 L C 0.957 177.886 176.870 0.100 0.000 1.107 316 L CA -0.099 54.800 54.840 0.099 0.000 0.806 316 L CB 1.250 43.419 42.059 0.182 0.000 1.146 316 L HN 0.048 nan 8.230 nan 0.000 0.447 317 G N -0.703 108.154 108.800 0.096 0.000 3.651 317 G HA2 0.025 3.985 3.960 0.000 0.000 0.279 317 G HA3 0.025 3.985 3.960 0.000 0.000 0.279 317 G C 0.898 175.801 174.900 0.005 0.000 1.024 317 G CA -0.094 45.018 45.100 0.020 0.000 0.813 317 G HN 0.950 nan 8.290 nan 0.000 0.518 318 H N -1.051 117.998 119.070 -0.035 0.000 2.521 318 H HA 0.205 4.761 4.556 0.000 0.000 0.286 318 H C 1.505 176.794 175.328 -0.065 0.000 1.034 318 H CA 0.507 56.539 56.048 -0.026 0.000 1.278 318 H CB 0.038 29.793 29.762 -0.012 0.000 1.386 318 H HN 0.278 nan 8.280 nan 0.000 0.567 319 L N 0.473 121.323 121.223 -0.622 0.000 2.848 319 L HA 0.210 4.550 4.340 0.000 0.000 0.240 319 L C 1.485 178.224 176.870 -0.218 0.000 1.232 319 L CA -0.134 54.386 54.840 -0.535 0.000 1.031 319 L CB 0.182 41.849 42.059 -0.653 0.000 1.338 319 L HN 0.173 nan 8.230 nan 0.000 0.509 320 K N 0.237 120.497 120.400 -0.234 0.000 2.032 320 K HA -0.097 4.223 4.320 0.000 0.000 0.209 320 K C 0.866 177.230 176.600 -0.394 0.000 1.048 320 K CA 1.698 57.779 56.287 -0.344 0.000 0.927 320 K CB 0.029 32.183 32.500 -0.576 0.000 0.712 320 K HN 0.149 nan 8.250 nan 0.000 0.441 321 F N -0.278 119.643 119.950 -0.048 0.000 2.645 321 F HA 0.183 4.710 4.527 0.000 0.000 0.300 321 F C 0.196 175.879 175.800 -0.195 0.000 1.115 321 F CA -0.839 57.106 58.000 -0.092 0.000 1.355 321 F CB -0.434 38.519 39.000 -0.079 0.000 1.026 321 F HN -0.124 nan 8.300 nan 0.000 0.536 322 F N 5.368 125.146 119.950 -0.285 0.000 2.543 322 F HA 0.233 4.760 4.527 0.000 0.000 0.375 322 F C -1.736 173.705 175.800 -0.599 0.000 1.075 322 F CA -2.924 54.734 58.000 -0.570 0.000 1.225 322 F CB 0.462 38.883 39.000 -0.965 0.000 1.099 322 F HN -0.142 nan 8.300 nan 0.000 0.561 323 P HA -0.022 nan 4.420 nan 0.000 0.244 323 P C -1.121 175.823 177.300 -0.595 0.000 1.769 323 P CA -0.087 62.600 63.100 -0.688 0.000 1.102 323 P CB -0.572 30.768 31.700 -0.600 0.000 1.937 324 W N 2.420 123.637 121.300 -0.138 0.000 2.223 324 W HA 0.302 4.962 4.660 0.000 0.000 0.334 324 W C 0.915 177.329 176.519 -0.175 0.000 1.334 324 W CA -0.657 56.661 57.345 -0.044 0.000 1.246 324 W CB 0.421 29.820 29.460 -0.101 0.000 1.184 324 W HN 0.331 nan 8.180 nan 0.000 0.563 325 A N 2.658 125.547 122.820 0.116 0.000 2.462 325 A HA 0.289 4.609 4.320 0.000 0.000 0.243 325 A C 0.250 177.760 177.584 -0.123 0.000 1.076 325 A CA -0.382 51.645 52.037 -0.017 0.000 0.773 325 A CB 0.890 19.911 19.000 0.034 0.000 1.010 325 A HN 0.805 nan 8.150 nan 0.000 0.493 326 V N 2.592 122.441 119.914 -0.108 0.000 3.085 326 V HA 0.113 4.233 4.120 0.000 0.000 0.345 326 V C 0.309 176.475 176.094 0.119 0.000 1.397 326 V CA -0.154 62.092 62.300 -0.090 0.000 1.165 326 V CB -0.537 31.277 31.823 -0.014 0.000 1.153 326 V HN 0.937 nan 8.190 nan 0.000 0.495 327 D N 1.294 121.698 120.400 0.006 0.000 2.426 327 D HA -0.051 4.589 4.640 0.000 0.000 0.261 327 D C 1.249 177.653 176.300 0.173 0.000 1.245 327 D CA 0.334 54.308 54.000 -0.044 0.000 0.917 327 D CB 1.134 41.657 40.800 -0.461 0.000 1.123 327 D HN 0.452 nan 8.370 nan 0.000 0.508 328 E N 3.492 123.794 120.200 0.170 0.000 2.110 328 E HA -0.211 4.139 4.350 0.000 0.000 0.193 328 E C 1.389 178.137 176.600 0.247 0.000 0.988 328 E CA 1.118 57.656 56.400 0.231 0.000 0.804 328 E CB -0.209 29.565 29.700 0.124 0.000 0.745 328 E HN 0.693 nan 8.360 nan 0.000 0.458 329 N N -0.542 118.258 118.700 0.167 0.000 2.422 329 N HA -0.112 4.628 4.740 0.000 0.000 0.181 329 N C 1.498 177.215 175.510 0.346 0.000 1.080 329 N CA 0.358 53.525 53.050 0.194 0.000 0.893 329 N CB -0.325 38.233 38.487 0.118 0.000 0.973 329 N HN 0.007 nan 8.380 nan 0.000 0.456 330 Y N 0.236 120.648 120.300 0.187 0.000 2.163 330 Y HA -0.000 4.550 4.550 0.000 0.000 0.288 330 Y C 1.895 177.996 175.900 0.335 0.000 1.136 330 Y CA 0.177 58.392 58.100 0.191 0.000 1.147 330 Y CB -0.922 37.598 38.460 0.100 0.000 0.987 330 Y HN 0.059 nan 8.280 nan 0.000 0.509 331 F N 1.214 121.384 119.950 0.367 0.000 2.069 331 F HA -0.231 4.296 4.527 0.000 0.000 0.298 331 F C 2.427 178.435 175.800 0.347 0.000 1.113 331 F CA 2.041 60.271 58.000 0.384 0.000 1.214 331 F CB -0.755 38.456 39.000 0.352 0.000 0.978 331 F HN -0.005 nan 8.300 nan 0.000 0.474 332 K N 0.010 120.531 120.400 0.201 0.000 2.063 332 K HA -0.183 4.137 4.320 0.000 0.000 0.208 332 K C 2.206 178.841 176.600 0.058 0.000 1.048 332 K CA 1.356 57.638 56.287 -0.008 0.000 0.928 332 K CB -0.421 32.090 32.500 0.019 0.000 0.713 332 K HN 0.294 nan 8.250 nan 0.000 0.442 333 A N 0.446 123.375 122.820 0.182 0.000 1.902 333 A HA -0.197 4.123 4.320 0.000 0.000 0.217 333 A C 1.885 179.594 177.584 0.208 0.000 1.181 333 A CA 1.465 53.598 52.037 0.161 0.000 0.623 333 A CB -1.012 18.107 19.000 0.198 0.000 0.818 333 A HN 0.715 nan 8.150 nan 0.000 0.443 334 W N 0.695 122.086 121.300 0.153 0.000 2.354 334 W HA -0.176 4.484 4.660 0.000 0.000 0.315 334 W C 2.366 178.930 176.519 0.076 0.000 1.206 334 W CA 2.035 59.512 57.345 0.221 0.000 1.290 334 W CB -0.303 29.442 29.460 0.474 0.000 1.152 334 W HN 0.251 nan 8.180 nan 0.000 0.489 335 R N -0.242 120.210 120.500 -0.080 0.000 2.091 335 R HA -0.202 4.138 4.340 0.000 0.000 0.238 335 R C 2.262 178.380 176.300 -0.303 0.000 1.136 335 R CA 2.131 57.928 56.100 -0.505 0.000 0.959 335 R CB -0.620 29.289 30.300 -0.651 0.000 0.856 335 R HN 0.372 nan 8.270 nan 0.000 0.437 336 Q N -0.796 118.885 119.800 -0.199 0.000 2.435 336 Q HA 0.070 4.411 4.340 0.000 0.000 0.207 336 Q C 0.523 176.425 176.000 -0.163 0.000 0.956 336 Q CA 0.568 56.250 55.803 -0.201 0.000 0.917 336 Q CB 0.701 29.343 28.738 -0.160 0.000 0.997 336 Q HN 0.541 nan 8.270 nan 0.000 0.497 337 G N 1.840 110.569 108.800 -0.119 0.000 2.291 337 G HA2 -0.256 3.704 3.960 0.000 0.000 0.271 337 G HA3 -0.256 3.704 3.960 0.000 0.000 0.271 337 G C -0.090 174.786 174.900 -0.040 0.000 1.099 337 G CA -0.202 44.859 45.100 -0.064 0.000 0.919 337 G HN 0.184 nan 8.290 nan 0.000 0.496 338 R N 0.121 120.600 120.500 -0.036 0.000 2.881 338 R HA 0.240 4.580 4.340 0.000 0.000 0.331 338 R C 1.533 177.816 176.300 -0.027 0.000 1.207 338 R CA 0.483 56.533 56.100 -0.082 0.000 1.265 338 R CB 0.230 30.485 30.300 -0.075 0.000 1.351 338 R HN 0.498 nan 8.270 nan 0.000 0.613 339 T N -4.530 110.034 114.554 0.017 0.000 3.015 339 T HA 0.159 4.509 4.350 0.000 0.000 0.250 339 T C 1.381 176.142 174.700 0.101 0.000 1.057 339 T CA 0.861 63.043 62.100 0.137 0.000 1.066 339 T CB 0.722 69.688 68.868 0.164 0.000 0.959 339 T HN 0.418 nan 8.240 nan 0.000 0.488 340 G N 0.608 109.374 108.800 -0.056 0.000 2.232 340 G HA2 -0.194 3.766 3.960 0.000 0.000 0.226 340 G HA3 -0.194 3.766 3.960 0.000 0.000 0.226 340 G C -0.228 174.698 174.900 0.043 0.000 0.996 340 G CA -0.241 44.779 45.100 -0.134 0.000 0.626 340 G HN 0.579 nan 8.290 nan 0.000 0.509 341 Y N 1.187 121.603 120.300 0.193 0.000 2.504 341 Y HA 0.464 5.014 4.550 0.000 0.000 0.339 341 Y C -0.843 175.226 175.900 0.282 0.000 0.974 341 Y CA -1.905 56.348 58.100 0.255 0.000 1.232 341 Y CB 1.437 39.900 38.460 0.005 0.000 1.108 341 Y HN -0.019 nan 8.280 nan 0.000 0.509 342 P HA -0.327 nan 4.420 nan 0.000 0.221 342 P C 1.809 179.305 177.300 0.326 0.000 1.160 342 P CA 1.515 64.805 63.100 0.316 0.000 0.933 342 P CB 0.292 32.103 31.700 0.186 0.000 0.793 343 L N -1.043 120.404 121.223 0.373 0.000 2.046 343 L HA -0.130 4.211 4.340 0.000 0.000 0.208 343 L C 2.242 179.268 176.870 0.259 0.000 1.077 343 L CA 1.734 56.788 54.840 0.357 0.000 0.747 343 L CB -1.053 41.180 42.059 0.290 0.000 0.896 343 L HN -0.175 nan 8.230 nan 0.000 0.432 344 V N -0.396 119.610 119.914 0.153 0.000 2.358 344 V HA -0.260 3.860 4.120 0.000 0.000 0.246 344 V C 2.147 178.275 176.094 0.056 0.000 1.047 344 V CA 1.933 64.249 62.300 0.028 0.000 1.035 344 V CB -0.677 30.968 31.823 -0.296 0.000 0.658 344 V HN 0.444 nan 8.190 nan 0.000 0.452 345 D N 0.197 120.667 120.400 0.116 0.000 2.183 345 D HA -0.042 4.598 4.640 0.000 0.000 0.203 345 D C 2.202 178.581 176.300 0.131 0.000 0.969 345 D CA 1.410 55.480 54.000 0.117 0.000 0.842 345 D CB -0.205 40.722 40.800 0.213 0.000 0.957 345 D HN 0.428 nan 8.370 nan 0.000 0.484 346 A N 0.812 123.742 122.820 0.183 0.000 1.902 346 A HA -0.015 4.305 4.320 0.000 0.000 0.217 346 A C 2.357 179.977 177.584 0.060 0.000 1.181 346 A CA 1.983 54.111 52.037 0.152 0.000 0.623 346 A CB -1.007 18.078 19.000 0.142 0.000 0.818 346 A HN 0.296 nan 8.150 nan 0.000 0.443 347 G N -0.866 108.028 108.800 0.157 0.000 2.402 347 G HA2 -0.167 3.793 3.960 0.000 0.000 0.216 347 G HA3 -0.167 3.793 3.960 0.000 0.000 0.216 347 G C 1.435 176.301 174.900 -0.056 0.000 1.162 347 G CA 1.241 46.391 45.100 0.084 0.000 0.777 347 G HN 0.336 nan 8.290 nan 0.000 0.539 348 M N 0.345 119.912 119.600 -0.055 0.000 2.296 348 M HA 0.107 4.587 4.480 0.000 0.000 0.265 348 M C 2.473 178.766 176.300 -0.011 0.000 1.064 348 M CA 0.667 55.901 55.300 -0.111 0.000 1.109 348 M CB -0.869 31.588 32.600 -0.239 0.000 1.396 348 M HN 0.088 nan 8.290 nan 0.000 0.430 349 R N 0.161 120.672 120.500 0.018 0.000 2.062 349 R HA -0.066 4.274 4.340 0.000 0.000 0.229 349 R C 2.054 178.381 176.300 0.046 0.000 1.128 349 R CA 1.118 57.312 56.100 0.156 0.000 0.960 349 R CB -0.742 29.705 30.300 0.244 0.000 0.855 349 R HN 0.562 nan 8.270 nan 0.000 0.432 350 E N 0.727 120.653 120.200 -0.457 0.000 2.077 350 E HA -0.188 4.162 4.350 0.000 0.000 0.193 350 E C 1.920 178.224 176.600 -0.493 0.000 0.989 350 E CA 0.966 56.674 56.400 -1.153 0.000 0.800 350 E CB -0.027 28.747 29.700 -1.543 0.000 0.746 350 E HN 0.072 nan 8.360 nan 0.000 0.452 351 L N 0.259 121.321 121.223 -0.270 0.000 2.005 351 L HA -0.109 4.231 4.340 0.000 0.000 0.207 351 L C 2.147 178.962 176.870 -0.092 0.000 1.072 351 L CA 2.239 56.963 54.840 -0.194 0.000 0.744 351 L CB -0.976 40.965 42.059 -0.197 0.000 0.895 351 L HN 0.422 nan 8.230 nan 0.000 0.433 352 W N 0.646 121.871 121.300 -0.125 0.000 2.338 352 W HA -0.223 4.437 4.660 0.000 0.000 0.304 352 W C 2.126 178.618 176.519 -0.044 0.000 1.212 352 W CA 2.559 59.873 57.345 -0.051 0.000 1.264 352 W CB -0.465 28.996 29.460 0.001 0.000 1.142 352 W HN 0.250 nan 8.180 nan 0.000 0.512 353 A N -0.649 121.947 122.820 -0.373 0.000 2.021 353 A HA -0.002 4.318 4.320 0.000 0.000 0.216 353 A C 1.883 179.249 177.584 -0.364 0.000 1.163 353 A CA 2.100 53.724 52.037 -0.689 0.000 0.676 353 A CB -0.994 17.928 19.000 -0.129 0.000 0.818 353 A HN 0.431 nan 8.150 nan 0.000 0.453 354 T N -6.705 107.720 114.554 -0.215 0.000 2.986 354 T HA 0.421 4.771 4.350 0.000 0.000 0.264 354 T C 1.357 176.043 174.700 -0.023 0.000 0.964 354 T CA 1.097 63.160 62.100 -0.061 0.000 0.895 354 T CB 0.273 69.197 68.868 0.093 0.000 1.163 354 T HN 1.655 nan 8.240 nan 0.000 0.517 355 G N 0.872 109.607 108.800 -0.110 0.000 2.148 355 G HA2 -0.231 3.729 3.960 0.000 0.000 0.254 355 G HA3 -0.231 3.729 3.960 0.000 0.000 0.254 355 G C -0.126 174.767 174.900 -0.013 0.000 0.981 355 G CA 0.269 45.295 45.100 -0.124 0.000 0.670 355 G HN 0.685 nan 8.290 nan 0.000 0.528 356 W N -0.115 121.112 121.300 -0.121 0.000 2.844 356 W HA 0.731 5.391 4.660 0.000 0.000 0.340 356 W C -1.406 175.081 176.519 -0.055 0.000 1.093 356 W CA -0.998 56.335 57.345 -0.020 0.000 1.212 356 W CB 1.329 30.945 29.460 0.261 0.000 1.422 356 W HN 0.041 nan 8.180 nan 0.000 0.515 357 L N 5.537 126.017 121.223 -1.238 0.000 2.526 357 L HA 0.139 4.479 4.340 0.000 0.000 0.263 357 L C 0.158 176.556 176.870 -0.788 0.000 0.943 357 L CA -0.829 53.559 54.840 -0.752 0.000 0.859 357 L CB 2.270 44.015 42.059 -0.523 0.000 1.313 357 L HN 0.469 nan 8.230 nan 0.000 0.406 358 H N 2.135 121.014 119.070 -0.319 0.000 2.852 358 H HA -0.061 4.496 4.556 0.000 0.000 0.362 358 H C 0.285 175.459 175.328 -0.257 0.000 1.122 358 H CA 1.038 57.001 56.048 -0.143 0.000 1.419 358 H CB 1.490 31.233 29.762 -0.031 0.000 1.401 358 H HN 0.819 nan 8.280 nan 0.000 0.609 359 D N 2.512 122.723 120.400 -0.316 0.000 2.133 359 D HA -0.184 4.456 4.640 0.000 0.000 0.195 359 D C 1.834 178.093 176.300 -0.068 0.000 0.997 359 D CA 1.243 55.128 54.000 -0.192 0.000 0.840 359 D CB 0.345 41.004 40.800 -0.235 0.000 0.947 359 D HN 0.384 nan 8.370 nan 0.000 0.452 360 R N 0.094 120.648 120.500 0.089 0.000 2.105 360 R HA -0.091 4.249 4.340 0.000 0.000 0.239 360 R C 2.157 178.247 176.300 -0.351 0.000 1.135 360 R CA 0.616 56.536 56.100 -0.300 0.000 0.967 360 R CB -0.864 28.974 30.300 -0.771 0.000 0.861 360 R HN 0.404 nan 8.270 nan 0.000 0.442 361 I N 0.616 121.036 120.570 -0.250 0.000 2.546 361 I HA -0.132 4.038 4.170 0.000 0.000 0.255 361 I C 2.160 178.243 176.117 -0.056 0.000 1.163 361 I CA 0.904 62.098 61.300 -0.177 0.000 1.457 361 I CB -0.764 37.148 38.000 -0.147 0.000 1.092 361 I HN 0.113 nan 8.210 nan 0.000 0.434 362 R N 0.063 120.526 120.500 -0.062 0.000 2.092 362 R HA -0.068 4.273 4.340 0.000 0.000 0.231 362 R C 2.345 178.656 176.300 0.017 0.000 1.119 362 R CA 0.919 57.048 56.100 0.048 0.000 0.970 362 R CB -0.300 30.000 30.300 0.001 0.000 0.864 362 R HN 0.196 nan 8.270 nan 0.000 0.440 363 V N 0.426 120.304 119.914 -0.060 0.000 2.323 363 V HA -0.187 3.933 4.120 0.000 0.000 0.244 363 V C 2.361 178.450 176.094 -0.009 0.000 1.041 363 V CA 1.376 63.639 62.300 -0.062 0.000 1.025 363 V CB -0.220 31.576 31.823 -0.045 0.000 0.656 363 V HN 0.091 nan 8.190 nan 0.000 0.451 364 V N 0.751 120.660 119.914 -0.008 0.000 2.282 364 V HA -0.245 3.875 4.120 0.000 0.000 0.249 364 V C 2.566 178.763 176.094 0.172 0.000 1.057 364 V CA 2.508 64.847 62.300 0.064 0.000 1.032 364 V CB -0.501 31.332 31.823 0.017 0.000 0.645 364 V HN 0.581 nan 8.190 nan 0.000 0.447 365 V N -0.677 119.368 119.914 0.217 0.000 2.548 365 V HA -0.104 4.016 4.120 0.000 0.000 0.249 365 V C 2.384 178.838 176.094 0.600 0.000 1.055 365 V CA 2.023 64.588 62.300 0.442 0.000 1.065 365 V CB -0.758 31.332 31.823 0.445 0.000 0.681 365 V HN 0.640 nan 8.190 nan 0.000 0.462 366 S N -0.061 115.777 115.700 0.231 0.000 2.414 366 S HA -0.132 4.338 4.470 0.000 0.000 0.227 366 S C 2.151 176.755 174.600 0.006 0.000 1.022 366 S CA 1.433 59.530 58.200 -0.173 0.000 0.958 366 S CB -0.492 61.989 63.200 -1.198 0.000 0.797 366 S HN 0.624 nan 8.310 nan 0.000 0.493 367 S N 0.974 116.701 115.700 0.046 0.000 2.356 367 S HA -0.041 4.429 4.470 0.000 0.000 0.223 367 S C 1.447 176.125 174.600 0.130 0.000 1.032 367 S CA 1.127 59.357 58.200 0.049 0.000 1.005 367 S CB -0.753 62.470 63.200 0.039 0.000 0.867 367 S HN 0.589 nan 8.310 nan 0.000 0.449 368 F N 1.011 121.004 119.950 0.072 0.000 2.202 368 F HA -0.069 4.458 4.527 0.000 0.000 0.301 368 F C 1.723 177.552 175.800 0.049 0.000 1.082 368 F CA 1.508 59.532 58.000 0.041 0.000 1.313 368 F CB -0.441 38.622 39.000 0.106 0.000 1.024 368 F HN 0.363 nan 8.300 nan 0.000 0.495 369 F N 0.328 120.345 119.950 0.111 0.000 2.171 369 F HA -0.148 4.379 4.527 0.000 0.000 0.300 369 F C 2.197 177.897 175.800 -0.167 0.000 1.090 369 F CA 1.964 59.865 58.000 -0.165 0.000 1.293 369 F CB -0.356 38.502 39.000 -0.236 0.000 1.013 369 F HN -0.090 nan 8.300 nan 0.000 0.486 370 V N -3.416 116.569 119.914 0.118 0.000 3.471 370 V HA 0.121 4.241 4.120 0.000 0.000 0.258 370 V C 1.682 177.780 176.094 0.007 0.000 1.192 370 V CA 0.706 63.046 62.300 0.068 0.000 1.116 370 V CB -0.129 31.791 31.823 0.163 0.000 0.792 370 V HN 0.063 nan 8.190 nan 0.000 0.459 371 K N 0.529 120.840 120.400 -0.148 0.000 2.329 371 K HA 0.375 4.695 4.320 0.000 0.000 0.198 371 K C 1.970 178.378 176.600 -0.321 0.000 1.085 371 K CA 1.074 57.210 56.287 -0.252 0.000 0.961 371 K CB 0.202 32.530 32.500 -0.285 0.000 0.971 371 K HN 0.443 nan 8.250 nan 0.000 0.502 372 V N 1.675 121.279 119.914 -0.516 0.000 2.374 372 V HA -0.019 4.101 4.120 0.000 0.000 0.241 372 V C 2.266 177.997 176.094 -0.605 0.000 1.034 372 V CA 1.077 62.956 62.300 -0.701 0.000 1.037 372 V CB -0.283 30.699 31.823 -1.401 0.000 0.682 372 V HN 0.066 nan 8.190 nan 0.000 0.463 373 L N -0.972 119.846 121.223 -0.675 0.000 2.209 373 L HA 0.045 4.385 4.340 0.000 0.000 0.207 373 L C 1.058 177.792 176.870 -0.226 0.000 1.094 373 L CA 0.585 55.123 54.840 -0.504 0.000 0.790 373 L CB -0.458 41.277 42.059 -0.541 0.000 0.932 373 L HN 0.398 nan 8.230 nan 0.000 0.447 374 Q N 0.442 120.120 119.800 -0.204 0.000 2.478 374 Q HA -0.168 4.172 4.340 0.000 0.000 0.286 374 Q C -0.577 175.474 176.000 0.084 0.000 1.299 374 Q CA 0.190 56.063 55.803 0.116 0.000 0.826 374 Q CB -1.724 27.163 28.738 0.248 0.000 1.199 374 Q HN 0.429 nan 8.270 nan 0.000 0.451 375 L N -0.166 120.787 121.223 -0.449 0.000 2.439 375 L HA 0.517 4.858 4.340 0.000 0.000 0.259 375 L C -1.883 174.474 176.870 -0.855 0.000 1.129 375 L CA -2.368 52.026 54.840 -0.743 0.000 0.803 375 L CB 0.323 41.625 42.059 -1.261 0.000 1.161 375 L HN -0.125 nan 8.230 nan 0.000 0.462 376 P HA -0.067 nan 4.420 nan 0.000 0.271 376 P C 0.324 177.124 177.300 -0.833 0.000 1.226 376 P CA -0.267 62.068 63.100 -1.275 0.000 0.765 376 P CB 0.277 31.080 31.700 -1.496 0.000 0.835 377 W N 5.370 126.210 121.300 -0.767 0.000 2.364 377 W HA -0.154 4.506 4.660 0.000 0.000 0.281 377 W C 0.822 176.944 176.519 -0.661 0.000 1.219 377 W CA 0.499 57.515 57.345 -0.549 0.000 1.220 377 W CB -1.037 28.266 29.460 -0.263 0.000 1.127 377 W HN 0.271 nan 8.180 nan 0.000 0.556 378 R N 0.133 119.980 120.500 -1.088 0.000 2.120 378 R HA -0.166 4.174 4.340 0.000 0.000 0.234 378 R C 1.819 177.933 176.300 -0.310 0.000 1.123 378 R CA 1.761 57.380 56.100 -0.801 0.000 0.975 378 R CB -1.174 28.665 30.300 -0.768 0.000 0.866 378 R HN 0.284 nan 8.270 nan 0.000 0.446 379 W N 0.379 121.340 121.300 -0.565 0.000 2.381 379 W HA 0.056 4.716 4.660 0.000 0.000 0.301 379 W C 2.407 178.632 176.519 -0.490 0.000 1.205 379 W CA 0.880 57.959 57.345 -0.444 0.000 1.285 379 W CB -1.315 27.778 29.460 -0.611 0.000 1.133 379 W HN 0.192 nan 8.180 nan 0.000 0.521 380 G N -0.379 107.855 108.800 -0.944 0.000 2.408 380 G HA2 -0.219 3.741 3.960 0.000 0.000 0.217 380 G HA3 -0.219 3.741 3.960 0.000 0.000 0.217 380 G C 1.590 175.758 174.900 -1.220 0.000 1.150 380 G CA 0.843 44.944 45.100 -1.665 0.000 0.776 380 G HN 0.082 nan 8.290 nan 0.000 0.542 381 M N 0.071 118.820 119.600 -1.418 0.000 2.086 381 M HA -0.037 4.443 4.480 0.000 0.000 0.261 381 M C 2.548 178.913 176.300 0.109 0.000 1.067 381 M CA 1.799 56.724 55.300 -0.625 0.000 1.116 381 M CB -0.097 32.350 32.600 -0.255 0.000 1.348 381 M HN 0.241 nan 8.290 nan 0.000 0.407 382 K N -0.211 120.266 120.400 0.129 0.000 2.057 382 K HA -0.223 4.097 4.320 0.000 0.000 0.207 382 K C 1.750 178.592 176.600 0.403 0.000 1.049 382 K CA 1.724 58.188 56.287 0.294 0.000 0.931 382 K CB -0.926 31.668 32.500 0.157 0.000 0.714 382 K HN 0.364 nan 8.250 nan 0.000 0.440 383 Y N -0.088 120.421 120.300 0.347 0.000 2.145 383 Y HA -0.159 4.391 4.550 0.000 0.000 0.286 383 Y C 1.687 177.887 175.900 0.500 0.000 1.145 383 Y CA 1.729 60.094 58.100 0.441 0.000 1.148 383 Y CB -0.462 38.378 38.460 0.634 0.000 0.981 383 Y HN 0.048 nan 8.280 nan 0.000 0.507 384 F N -0.286 119.834 119.950 0.284 0.000 2.126 384 F HA -0.296 4.231 4.527 0.000 0.000 0.299 384 F C 2.534 178.397 175.800 0.107 0.000 1.096 384 F CA 1.507 59.628 58.000 0.202 0.000 1.255 384 F CB -1.472 37.806 39.000 0.464 0.000 0.997 384 F HN 0.408 nan 8.300 nan 0.000 0.479 385 W N 1.350 122.810 121.300 0.266 0.000 2.363 385 W HA -0.205 4.455 4.660 0.000 0.000 0.296 385 W C 1.215 177.766 176.519 0.054 0.000 1.212 385 W CA 1.701 59.139 57.345 0.153 0.000 1.260 385 W CB -0.375 29.232 29.460 0.245 0.000 1.131 385 W HN 0.017 nan 8.180 nan 0.000 0.530 386 D N -0.326 120.066 120.400 -0.014 0.000 2.277 386 D HA -0.105 4.535 4.640 0.000 0.000 0.208 386 D C 2.112 178.253 176.300 -0.265 0.000 0.962 386 D CA 2.185 56.090 54.000 -0.159 0.000 0.865 386 D CB -0.180 40.607 40.800 -0.021 0.000 0.939 386 D HN 0.282 nan 8.370 nan 0.000 0.510 387 T N -2.532 111.822 114.554 -0.332 0.000 2.985 387 T HA 0.231 4.581 4.350 0.000 0.000 0.254 387 T C 0.958 175.461 174.700 -0.329 0.000 1.021 387 T CA -0.294 61.591 62.100 -0.359 0.000 0.957 387 T CB 0.263 68.816 68.868 -0.525 0.000 1.047 387 T HN -0.090 nan 8.240 nan 0.000 0.511 388 L N 1.951 122.970 121.223 -0.339 0.000 2.349 388 L HA 0.346 4.686 4.340 0.000 0.000 0.275 388 L C 1.297 177.972 176.870 -0.325 0.000 1.115 388 L CA -0.773 53.862 54.840 -0.342 0.000 0.820 388 L CB 1.174 43.028 42.059 -0.341 0.000 1.135 388 L HN 0.056 nan 8.230 nan 0.000 0.445 389 L N 2.272 123.330 121.223 -0.275 0.000 2.201 389 L HA -0.133 4.207 4.340 0.000 0.000 0.212 389 L C 1.361 177.965 176.870 -0.443 0.000 1.105 389 L CA 1.606 56.259 54.840 -0.312 0.000 0.775 389 L CB -0.518 41.318 42.059 -0.371 0.000 0.913 389 L HN 0.793 nan 8.230 nan 0.000 0.440 390 D N -1.373 118.794 120.400 -0.387 0.000 2.525 390 D HA 0.211 4.852 4.640 0.000 0.000 0.229 390 D C 0.615 176.645 176.300 -0.451 0.000 1.202 390 D CA 0.014 53.762 54.000 -0.420 0.000 0.828 390 D CB -0.528 40.138 40.800 -0.224 0.000 1.008 390 D HN 0.138 nan 8.370 nan 0.000 0.493 391 A N 0.921 123.441 122.820 -0.500 0.000 2.583 391 A HA 0.173 4.493 4.320 0.000 0.000 0.249 391 A C 0.098 177.400 177.584 -0.471 0.000 1.035 391 A CA 0.503 52.282 52.037 -0.430 0.000 0.777 391 A CB -0.007 18.532 19.000 -0.768 0.000 0.942 391 A HN 0.381 nan 8.150 nan 0.000 0.516 392 D N 3.435 123.847 120.400 0.020 0.000 2.736 392 D HA 0.194 4.834 4.640 0.000 0.000 0.243 392 D C 0.812 177.296 176.300 0.307 0.000 1.304 392 D CA -0.655 53.458 54.000 0.188 0.000 0.934 392 D CB 0.899 41.790 40.800 0.151 0.000 1.382 392 D HN 0.312 nan 8.370 nan 0.000 0.571 393 L N 3.252 124.642 121.223 0.279 0.000 1.997 393 L HA -0.222 4.118 4.340 0.000 0.000 0.216 393 L C 1.868 178.768 176.870 0.050 0.000 1.074 393 L CA 2.024 56.865 54.840 0.003 0.000 0.763 393 L CB -0.660 41.265 42.059 -0.223 0.000 0.890 393 L HN 0.561 nan 8.230 nan 0.000 0.434 394 E N -0.740 119.501 120.200 0.069 0.000 2.031 394 E HA -0.149 4.201 4.350 0.000 0.000 0.193 394 E C 2.253 178.888 176.600 0.059 0.000 0.994 394 E CA 1.529 57.961 56.400 0.052 0.000 0.800 394 E CB -0.232 29.500 29.700 0.054 0.000 0.752 394 E HN 0.276 nan 8.360 nan 0.000 0.447 395 S N 0.540 116.285 115.700 0.075 0.000 2.402 395 S HA -0.159 4.311 4.470 0.000 0.000 0.229 395 S C 1.565 176.223 174.600 0.096 0.000 1.021 395 S CA 1.243 59.473 58.200 0.050 0.000 0.974 395 S CB -0.225 62.993 63.200 0.030 0.000 0.800 395 S HN 0.252 nan 8.310 nan 0.000 0.484 396 D N 1.501 122.010 120.400 0.183 0.000 2.123 396 D HA 0.056 4.696 4.640 0.000 0.000 0.200 396 D C 2.008 178.515 176.300 0.344 0.000 0.976 396 D CA 1.166 55.360 54.000 0.322 0.000 0.831 396 D CB -0.299 40.752 40.800 0.417 0.000 0.974 396 D HN 0.287 nan 8.370 nan 0.000 0.469 397 A N 0.386 123.343 122.820 0.228 0.000 1.877 397 A HA -0.102 4.218 4.320 0.000 0.000 0.216 397 A C 2.185 179.813 177.584 0.072 0.000 1.186 397 A CA 1.392 53.544 52.037 0.191 0.000 0.620 397 A CB -0.942 18.142 19.000 0.140 0.000 0.822 397 A HN 0.361 nan 8.150 nan 0.000 0.443 398 L N 0.306 121.551 121.223 0.036 0.000 2.012 398 L HA -0.071 4.269 4.340 0.000 0.000 0.210 398 L C 2.390 179.258 176.870 -0.003 0.000 1.073 398 L CA 2.516 57.348 54.840 -0.013 0.000 0.748 398 L CB -1.221 40.818 42.059 -0.034 0.000 0.891 398 L HN 0.309 nan 8.230 nan 0.000 0.431 399 G N -1.341 107.457 108.800 -0.002 0.000 2.446 399 G HA2 -0.328 3.632 3.960 0.000 0.000 0.217 399 G HA3 -0.328 3.632 3.960 0.000 0.000 0.217 399 G C 1.312 176.137 174.900 -0.124 0.000 1.168 399 G CA 0.931 45.987 45.100 -0.073 0.000 0.771 399 G HN 0.559 nan 8.290 nan 0.000 0.551 400 W N 0.830 122.084 121.300 -0.075 0.000 2.381 400 W HA 0.036 4.696 4.660 0.000 0.000 0.301 400 W C 3.147 179.449 176.519 -0.362 0.000 1.205 400 W CA 1.105 58.352 57.345 -0.163 0.000 1.285 400 W CB -0.091 29.336 29.460 -0.055 0.000 1.133 400 W HN 0.199 nan 8.180 nan 0.000 0.521 401 Q N -0.816 118.814 119.800 -0.282 0.000 2.084 401 Q HA -0.274 4.066 4.340 0.000 0.000 0.202 401 Q C 2.001 177.887 176.000 -0.191 0.000 0.978 401 Q CA 1.923 57.449 55.803 -0.461 0.000 0.844 401 Q CB -0.897 27.598 28.738 -0.405 0.000 0.898 401 Q HN 0.477 nan 8.270 nan 0.000 0.426 402 Y N 1.377 121.572 120.300 -0.174 0.000 2.114 402 Y HA -0.247 4.303 4.550 0.000 0.000 0.284 402 Y C 2.037 177.879 175.900 -0.096 0.000 1.143 402 Y CA 1.292 59.326 58.100 -0.109 0.000 1.135 402 Y CB -0.221 38.175 38.460 -0.107 0.000 0.980 402 Y HN 0.005 nan 8.280 nan 0.000 0.499 403 I N 0.089 120.555 120.570 -0.173 0.000 2.286 403 I HA -0.275 3.896 4.170 0.000 0.000 0.248 403 I C 2.136 178.151 176.117 -0.169 0.000 1.115 403 I CA 1.973 63.130 61.300 -0.239 0.000 1.392 403 I CB -1.705 36.161 38.000 -0.224 0.000 1.065 403 I HN 0.306 nan 8.210 nan 0.000 0.418 404 T N 0.046 114.544 114.554 -0.095 0.000 2.951 404 T HA 0.107 4.457 4.350 0.000 0.000 0.268 404 T C 1.486 176.273 174.700 0.143 0.000 1.073 404 T CA 1.123 63.246 62.100 0.038 0.000 1.134 404 T CB -0.158 68.676 68.868 -0.057 0.000 0.884 404 T HN 0.588 nan 8.240 nan 0.000 0.479 405 G N 1.528 110.330 108.800 0.004 0.000 2.131 405 G HA2 -0.238 3.722 3.960 0.000 0.000 0.201 405 G HA3 -0.238 3.722 3.960 0.000 0.000 0.201 405 G C 0.672 175.656 174.900 0.141 0.000 1.000 405 G CA 0.409 45.570 45.100 0.102 0.000 0.680 405 G HN 0.668 nan 8.290 nan 0.000 0.514 406 T N -1.373 113.183 114.554 0.003 0.000 3.186 406 T HA 0.656 5.006 4.350 0.000 0.000 0.257 406 T C 0.666 175.366 174.700 0.000 0.000 1.029 406 T CA -0.277 61.834 62.100 0.018 0.000 0.916 406 T CB 0.392 69.199 68.868 -0.101 0.000 1.041 406 T HN 0.399 nan 8.240 nan 0.000 0.562 407 L N 1.095 122.325 121.223 0.013 0.000 2.334 407 L HA 0.425 4.765 4.340 0.000 0.000 0.276 407 L C -1.681 175.232 176.870 0.072 0.000 1.014 407 L CA -2.941 51.925 54.840 0.044 0.000 0.815 407 L CB 2.537 44.654 42.059 0.096 0.000 1.268 407 L HN -0.160 nan 8.230 nan 0.000 0.428 408 P HA -0.174 nan 4.420 nan 0.000 0.217 408 P C -0.098 177.266 177.300 0.106 0.000 1.148 408 P CA 1.253 64.410 63.100 0.096 0.000 0.834 408 P CB 0.087 31.871 31.700 0.140 0.000 0.783 409 D N -2.562 117.929 120.400 0.152 0.000 2.755 409 D HA 0.136 4.776 4.640 0.000 0.000 0.257 409 D C -0.154 176.265 176.300 0.199 0.000 1.291 409 D CA -0.246 53.855 54.000 0.169 0.000 0.836 409 D CB -0.441 40.473 40.800 0.191 0.000 1.059 409 D HN -0.082 nan 8.370 nan 0.000 0.486 410 S N 0.362 116.106 115.700 0.073 0.000 2.617 410 S HA 0.445 4.915 4.470 0.000 0.000 0.269 410 S C 0.657 175.187 174.600 -0.116 0.000 1.292 410 S CA -0.744 57.364 58.200 -0.154 0.000 1.010 410 S CB 1.058 64.158 63.200 -0.166 0.000 0.944 410 S HN 0.159 nan 8.310 nan 0.000 0.536 411 R N 1.395 121.750 120.500 -0.242 0.000 2.649 411 R HA 0.240 4.580 4.340 0.000 0.000 0.270 411 R C 0.130 176.408 176.300 -0.035 0.000 1.105 411 R CA -0.651 55.399 56.100 -0.084 0.000 1.193 411 R CB 0.082 30.332 30.300 -0.082 0.000 1.120 411 R HN 0.711 nan 8.270 nan 0.000 0.561 412 E N 0.890 121.097 120.200 0.013 0.000 2.529 412 E HA -0.157 4.193 4.350 0.000 0.000 0.259 412 E C -0.241 176.405 176.600 0.077 0.000 0.966 412 E CA -0.071 56.367 56.400 0.063 0.000 0.937 412 E CB 0.238 29.977 29.700 0.065 0.000 0.923 412 E HN 0.575 nan 8.360 nan 0.000 0.468 413 F N 3.302 123.259 119.950 0.012 0.000 2.084 413 F HA -0.141 4.386 4.527 0.000 0.000 0.296 413 F C 1.367 177.164 175.800 -0.005 0.000 1.111 413 F CA 1.628 59.627 58.000 -0.001 0.000 1.224 413 F CB 0.029 39.053 39.000 0.039 0.000 0.991 413 F HN 0.568 nan 8.300 nan 0.000 0.471 414 D N 1.371 121.840 120.400 0.114 0.000 2.745 414 D HA 0.056 4.696 4.640 0.000 0.000 0.229 414 D C -0.415 175.868 176.300 -0.028 0.000 1.088 414 D CA 0.197 54.208 54.000 0.019 0.000 1.054 414 D CB -0.573 40.368 40.800 0.235 0.000 1.132 414 D HN 0.254 nan 8.370 nan 0.000 0.464 415 R N 2.175 122.585 120.500 -0.149 0.000 2.510 415 R HA 0.406 4.746 4.340 0.000 0.000 0.287 415 R C -1.403 174.813 176.300 -0.140 0.000 1.084 415 R CA -0.655 55.394 56.100 -0.085 0.000 0.934 415 R CB 0.691 30.967 30.300 -0.039 0.000 1.201 415 R HN 0.122 nan 8.270 nan 0.000 0.431 416 I N 4.288 124.796 120.570 -0.103 0.000 2.339 416 I HA 0.237 4.407 4.170 0.000 0.000 0.290 416 I C -0.285 175.809 176.117 -0.038 0.000 0.994 416 I CA -0.843 60.389 61.300 -0.114 0.000 1.191 416 I CB 1.710 39.623 38.000 -0.145 0.000 1.343 416 I HN 0.508 nan 8.210 nan 0.000 0.458 417 D N 5.422 125.813 120.400 -0.015 0.000 2.345 417 D HA 0.032 4.672 4.640 0.000 0.000 0.247 417 D C -0.099 176.224 176.300 0.039 0.000 1.108 417 D CA -0.040 53.990 54.000 0.049 0.000 0.894 417 D CB 1.147 41.994 40.800 0.079 0.000 1.203 417 D HN 0.380 nan 8.370 nan 0.000 0.430 418 N N 2.399 121.136 118.700 0.061 0.000 2.437 418 N HA 0.117 4.857 4.740 0.000 0.000 0.243 418 N C -1.996 173.494 175.510 -0.033 0.000 1.041 418 N CA -1.918 51.104 53.050 -0.047 0.000 0.940 418 N CB 1.567 39.916 38.487 -0.229 0.000 1.133 418 N HN -0.039 nan 8.380 nan 0.000 0.506 419 P HA -0.151 nan 4.420 nan 0.000 0.221 419 P C 1.170 178.492 177.300 0.037 0.000 1.145 419 P CA 1.054 64.211 63.100 0.095 0.000 0.795 419 P CB 0.390 32.190 31.700 0.167 0.000 0.775 420 Q N -1.348 118.409 119.800 -0.071 0.000 2.046 420 Q HA -0.158 4.182 4.340 0.000 0.000 0.200 420 Q C 1.557 177.198 176.000 -0.597 0.000 0.975 420 Q CA 1.491 57.099 55.803 -0.324 0.000 0.836 420 Q CB -0.346 28.133 28.738 -0.431 0.000 0.896 420 Q HN 0.124 nan 8.270 nan 0.000 0.428 421 F N 1.310 121.092 119.950 -0.280 0.000 2.206 421 F HA -0.071 4.456 4.527 0.000 0.000 0.298 421 F C 2.310 178.022 175.800 -0.147 0.000 1.090 421 F CA 0.784 58.666 58.000 -0.196 0.000 1.323 421 F CB -0.628 38.366 39.000 -0.009 0.000 1.028 421 F HN 0.113 nan 8.300 nan 0.000 0.492 422 E N 0.316 120.570 120.200 0.091 0.000 2.118 422 E HA -0.145 4.205 4.350 0.000 0.000 0.195 422 E C 2.613 179.229 176.600 0.027 0.000 0.992 422 E CA 1.146 57.629 56.400 0.138 0.000 0.804 422 E CB -0.961 28.888 29.700 0.247 0.000 0.741 422 E HN 0.431 nan 8.360 nan 0.000 0.458 423 G N 0.580 109.240 108.800 -0.232 0.000 2.446 423 G HA2 -0.269 3.691 3.960 0.000 0.000 0.217 423 G HA3 -0.269 3.691 3.960 0.000 0.000 0.217 423 G C 1.297 175.827 174.900 -0.618 0.000 1.168 423 G CA 0.793 45.412 45.100 -0.801 0.000 0.771 423 G HN 0.211 nan 8.290 nan 0.000 0.551 424 Y N 0.990 121.103 120.300 -0.312 0.000 2.224 424 Y HA 0.016 4.566 4.550 0.000 0.000 0.289 424 Y C 2.778 178.590 175.900 -0.146 0.000 1.146 424 Y CA 0.850 58.879 58.100 -0.118 0.000 1.182 424 Y CB -0.497 37.955 38.460 -0.013 0.000 0.983 424 Y HN 0.179 nan 8.280 nan 0.000 0.524 425 K N -0.837 119.513 120.400 -0.084 0.000 1.973 425 K HA -0.113 4.207 4.320 0.000 0.000 0.210 425 K C 1.705 178.063 176.600 -0.404 0.000 1.045 425 K CA 1.822 57.884 56.287 -0.374 0.000 0.937 425 K CB -0.421 31.605 32.500 -0.791 0.000 0.721 425 K HN 0.163 nan 8.250 nan 0.000 0.438 426 F N 0.086 120.017 119.950 -0.031 0.000 2.569 426 F HA 0.049 4.576 4.527 0.000 0.000 0.295 426 F C 0.721 176.502 175.800 -0.032 0.000 1.115 426 F CA 0.265 58.225 58.000 -0.067 0.000 1.450 426 F CB 0.236 39.159 39.000 -0.128 0.000 1.107 426 F HN -0.036 nan 8.300 nan 0.000 0.563 427 D N 0.035 120.540 120.400 0.176 0.000 2.772 427 D HA 0.184 4.824 4.640 0.000 0.000 0.326 427 D C -1.727 174.782 176.300 0.349 0.000 1.207 427 D CA -2.135 52.028 54.000 0.271 0.000 0.777 427 D CB 0.467 41.519 40.800 0.420 0.000 1.169 427 D HN -0.143 nan 8.370 nan 0.000 0.506 428 P HA -0.168 nan 4.420 nan 0.000 0.216 428 P C 0.408 177.836 177.300 0.213 0.000 1.154 428 P CA 1.150 64.371 63.100 0.202 0.000 0.865 428 P CB 0.371 32.125 31.700 0.091 0.000 0.789 429 N N -1.343 117.463 118.700 0.177 0.000 2.251 429 N HA 0.146 4.886 4.740 0.000 0.000 0.217 429 N C 1.260 176.841 175.510 0.119 0.000 1.124 429 N CA 0.706 53.828 53.050 0.121 0.000 0.843 429 N CB -0.006 38.528 38.487 0.078 0.000 1.024 429 N HN 0.206 nan 8.380 nan 0.000 0.501 430 G N 1.407 110.322 108.800 0.192 0.000 2.187 430 G HA2 -0.349 3.611 3.960 0.000 0.000 0.261 430 G HA3 -0.349 3.611 3.960 0.000 0.000 0.261 430 G C 0.919 175.888 174.900 0.115 0.000 1.000 430 G CA 0.718 45.878 45.100 0.099 0.000 0.718 430 G HN 0.433 nan 8.290 nan 0.000 0.519 431 E N -1.368 118.925 120.200 0.155 0.000 2.077 431 E HA -0.142 4.208 4.350 0.000 0.000 0.193 431 E C 1.932 178.636 176.600 0.173 0.000 0.989 431 E CA 1.325 57.801 56.400 0.127 0.000 0.800 431 E CB -0.105 29.672 29.700 0.129 0.000 0.746 431 E HN 0.697 nan 8.360 nan 0.000 0.452 432 Y N 1.454 121.847 120.300 0.155 0.000 2.089 432 Y HA -0.245 4.305 4.550 0.000 0.000 0.282 432 Y C 2.253 178.299 175.900 0.244 0.000 1.139 432 Y CA 1.189 59.426 58.100 0.229 0.000 1.123 432 Y CB -0.475 38.147 38.460 0.270 0.000 0.980 432 Y HN -0.212 nan 8.280 nan 0.000 0.493 433 V N 1.067 121.126 119.914 0.241 0.000 2.324 433 V HA -0.367 3.753 4.120 0.000 0.000 0.250 433 V C 2.442 178.529 176.094 -0.012 0.000 1.060 433 V CA 2.468 64.833 62.300 0.108 0.000 1.042 433 V CB -0.612 31.276 31.823 0.108 0.000 0.650 433 V HN 0.378 nan 8.190 nan 0.000 0.450 434 R N -0.702 119.780 120.500 -0.030 0.000 2.148 434 R HA -0.105 4.235 4.340 0.000 0.000 0.223 434 R C 2.486 178.697 176.300 -0.149 0.000 1.088 434 R CA 1.204 57.259 56.100 -0.075 0.000 0.985 434 R CB -0.283 29.983 30.300 -0.057 0.000 0.880 434 R HN 0.471 nan 8.270 nan 0.000 0.451 435 R N -0.023 120.338 120.500 -0.231 0.000 2.075 435 R HA -0.143 4.197 4.340 0.000 0.000 0.232 435 R C 1.104 176.982 176.300 -0.703 0.000 1.126 435 R CA 1.510 57.321 56.100 -0.481 0.000 0.963 435 R CB -0.073 29.881 30.300 -0.577 0.000 0.858 435 R HN 0.229 nan 8.270 nan 0.000 0.435 436 W N 0.079 121.276 121.300 -0.171 0.000 3.077 436 W HA 0.266 4.926 4.660 0.000 0.000 0.266 436 W C -0.260 176.233 176.519 -0.043 0.000 1.300 436 W CA -0.365 56.906 57.345 -0.122 0.000 1.586 436 W CB 0.575 29.892 29.460 -0.239 0.000 1.103 436 W HN -0.075 nan 8.180 nan 0.000 0.652 437 L N 1.495 122.761 121.223 0.070 0.000 2.408 437 L HA 0.274 4.614 4.340 0.000 0.000 0.257 437 L C -1.761 175.114 176.870 0.008 0.000 1.053 437 L CA -1.760 53.125 54.840 0.075 0.000 0.922 437 L CB 1.547 43.648 42.059 0.069 0.000 1.261 437 L HN -0.294 nan 8.230 nan 0.000 0.458 438 P HA -0.203 nan 4.420 nan 0.000 0.216 438 P C 1.363 178.659 177.300 -0.008 0.000 1.150 438 P CA 1.018 64.109 63.100 -0.015 0.000 0.837 438 P CB 0.178 31.875 31.700 -0.004 0.000 0.786 439 E N 0.406 120.620 120.200 0.023 0.000 2.219 439 E HA -0.184 4.166 4.350 0.000 0.000 0.198 439 E C 1.422 178.008 176.600 -0.023 0.000 0.998 439 E CA 1.240 57.658 56.400 0.029 0.000 0.818 439 E CB -1.157 28.606 29.700 0.104 0.000 0.741 439 E HN 0.342 nan 8.360 nan 0.000 0.477 440 L N 1.807 122.989 121.223 -0.068 0.000 2.728 440 L HA 0.125 4.466 4.340 0.000 0.000 0.238 440 L C 2.084 178.902 176.870 -0.086 0.000 1.143 440 L CA 0.464 55.229 54.840 -0.125 0.000 0.937 440 L CB -0.026 41.897 42.059 -0.228 0.000 1.225 440 L HN 0.065 nan 8.230 nan 0.000 0.507 441 S N 0.021 115.685 115.700 -0.061 0.000 2.493 441 S HA -0.171 4.299 4.470 0.000 0.000 0.243 441 S C 1.770 176.345 174.600 -0.043 0.000 0.991 441 S CA 0.908 59.075 58.200 -0.054 0.000 0.957 441 S CB -0.233 62.936 63.200 -0.051 0.000 0.756 441 S HN 0.503 nan 8.310 nan 0.000 0.521 442 R N -0.419 120.057 120.500 -0.040 0.000 2.437 442 R HA 0.408 4.748 4.340 0.000 0.000 0.257 442 R C -0.397 175.891 176.300 -0.020 0.000 0.927 442 R CA -0.359 55.724 56.100 -0.027 0.000 1.078 442 R CB 0.156 30.441 30.300 -0.024 0.000 1.161 442 R HN 0.302 nan 8.270 nan 0.000 0.529 443 L N 2.620 123.824 121.223 -0.031 0.000 2.361 443 L HA 0.288 4.628 4.340 0.000 0.000 0.278 443 L C -2.421 174.467 176.870 0.029 0.000 1.113 443 L CA -2.110 52.725 54.840 -0.009 0.000 0.849 443 L CB 0.498 42.526 42.059 -0.052 0.000 1.155 443 L HN -0.166 nan 8.230 nan 0.000 0.452 444 P HA 0.144 nan 4.420 nan 0.000 0.269 444 P C 0.656 177.991 177.300 0.057 0.000 1.209 444 P CA -0.113 63.044 63.100 0.095 0.000 0.776 444 P CB 0.539 32.339 31.700 0.166 0.000 0.876 445 T N 0.311 114.862 114.554 -0.004 0.000 2.760 445 T HA -0.199 4.151 4.350 0.000 0.000 0.269 445 T C 0.739 175.395 174.700 -0.074 0.000 1.047 445 T CA 1.986 64.069 62.100 -0.028 0.000 1.139 445 T CB -0.910 67.951 68.868 -0.012 0.000 0.855 445 T HN 0.563 nan 8.240 nan 0.000 0.471 446 D N -0.366 119.892 120.400 -0.238 0.000 2.263 446 D HA -0.078 4.562 4.640 0.000 0.000 0.208 446 D C 1.168 177.056 176.300 -0.687 0.000 0.971 446 D CA 0.718 54.367 54.000 -0.586 0.000 0.867 446 D CB 0.013 40.109 40.800 -1.172 0.000 0.929 446 D HN 0.578 nan 8.370 nan 0.000 0.492 447 W N -0.474 120.805 121.300 -0.035 0.000 2.534 447 W HA 0.332 4.992 4.660 0.000 0.000 0.339 447 W C 1.257 177.661 176.519 -0.191 0.000 0.961 447 W CA -0.691 56.512 57.345 -0.238 0.000 1.545 447 W CB -0.119 29.126 29.460 -0.358 0.000 1.104 447 W HN -0.060 nan 8.180 nan 0.000 0.538 448 I N 1.070 121.640 120.570 -0.001 0.000 2.248 448 I HA -0.302 3.868 4.170 0.000 0.000 0.248 448 I C 2.051 178.000 176.117 -0.279 0.000 1.107 448 I CA 2.028 63.218 61.300 -0.184 0.000 1.373 448 I CB -0.207 37.619 38.000 -0.289 0.000 1.055 448 I HN -0.061 nan 8.210 nan 0.000 0.418 449 H N -0.687 118.459 119.070 0.126 0.000 2.551 449 H HA 0.226 4.782 4.556 0.000 0.000 0.271 449 H C -0.143 175.194 175.328 0.015 0.000 0.984 449 H CA 0.658 56.742 56.048 0.060 0.000 1.164 449 H CB -0.467 29.246 29.762 -0.082 0.000 1.437 449 H HN 0.674 nan 8.280 nan 0.000 0.550 450 H N -2.585 116.281 119.070 -0.340 0.000 2.927 450 H HA 0.173 4.729 4.556 0.000 0.000 0.213 450 H C -2.533 172.230 175.328 -0.942 0.000 1.363 450 H CA -1.406 53.944 56.048 -1.163 0.000 1.369 450 H CB 0.622 29.770 29.762 -1.023 0.000 2.040 450 H HN -0.117 nan 8.280 nan 0.000 0.544 451 P HA -0.191 nan 4.420 nan 0.000 0.220 451 P C 1.063 178.214 177.300 -0.249 0.000 1.148 451 P CA 1.154 64.077 63.100 -0.295 0.000 0.803 451 P CB -0.121 31.499 31.700 -0.134 0.000 0.782 452 W N 0.453 121.747 121.300 -0.009 0.000 2.632 452 W HA 0.029 4.689 4.660 0.000 0.000 0.248 452 W C 1.178 177.678 176.519 -0.031 0.000 1.259 452 W CA 0.407 57.743 57.345 -0.015 0.000 1.288 452 W CB -1.854 27.603 29.460 -0.006 0.000 1.136 452 W HN -0.145 nan 8.180 nan 0.000 0.640 453 N N 1.301 119.748 118.700 -0.421 0.000 2.436 453 N HA 0.106 4.846 4.740 0.000 0.000 0.178 453 N C 0.864 176.193 175.510 -0.302 0.000 1.026 453 N CA 1.093 54.009 53.050 -0.223 0.000 0.880 453 N CB -1.003 37.362 38.487 -0.203 0.000 1.061 453 N HN 0.102 nan 8.380 nan 0.000 0.434 454 A N 3.572 126.038 122.820 -0.590 0.000 2.615 454 A HA 0.020 4.340 4.320 0.000 0.000 0.240 454 A C -1.987 175.184 177.584 -0.688 0.000 1.003 454 A CA -0.402 50.968 52.037 -1.112 0.000 0.778 454 A CB -0.651 17.677 19.000 -1.121 0.000 0.907 454 A HN 0.148 nan 8.150 nan 0.000 0.507 455 P HA 0.007 nan 4.420 nan 0.000 0.265 455 P C 0.655 177.756 177.300 -0.332 0.000 1.193 455 P CA -0.039 62.818 63.100 -0.405 0.000 0.765 455 P CB 0.633 32.110 31.700 -0.371 0.000 0.823 456 E N 2.168 122.248 120.200 -0.200 0.000 2.136 456 E HA -0.218 4.132 4.350 0.000 0.000 0.202 456 E C 1.911 178.423 176.600 -0.146 0.000 1.019 456 E CA 2.255 58.567 56.400 -0.146 0.000 0.819 456 E CB -0.699 28.946 29.700 -0.092 0.000 0.739 456 E HN 0.652 nan 8.360 nan 0.000 0.458 457 S N 0.787 116.399 115.700 -0.147 0.000 2.382 457 S HA -0.140 4.330 4.470 0.000 0.000 0.228 457 S C 2.376 176.891 174.600 -0.142 0.000 1.027 457 S CA 1.648 59.776 58.200 -0.119 0.000 0.991 457 S CB -0.912 62.233 63.200 -0.092 0.000 0.823 457 S HN 0.222 nan 8.310 nan 0.000 0.469 458 V N 0.596 120.371 119.914 -0.232 0.000 2.358 458 V HA -0.006 4.114 4.120 0.000 0.000 0.246 458 V C 2.416 178.398 176.094 -0.186 0.000 1.047 458 V CA 1.389 63.548 62.300 -0.235 0.000 1.035 458 V CB -1.273 30.282 31.823 -0.447 0.000 0.658 458 V HN 0.467 nan 8.190 nan 0.000 0.452 459 L N -0.155 120.941 121.223 -0.211 0.000 2.017 459 L HA -0.193 4.147 4.340 0.000 0.000 0.208 459 L C 3.062 179.879 176.870 -0.089 0.000 1.073 459 L CA 2.257 57.012 54.840 -0.142 0.000 0.745 459 L CB -0.785 41.193 42.059 -0.136 0.000 0.894 459 L HN 0.343 nan 8.230 nan 0.000 0.432 460 Q N -0.174 119.575 119.800 -0.085 0.000 2.061 460 Q HA -0.233 4.107 4.340 0.000 0.000 0.204 460 Q C 2.419 178.391 176.000 -0.047 0.000 0.984 460 Q CA 1.797 57.566 55.803 -0.056 0.000 0.846 460 Q CB -0.370 28.336 28.738 -0.053 0.000 0.902 460 Q HN 0.572 nan 8.270 nan 0.000 0.421 461 A N 0.794 123.582 122.820 -0.054 0.000 2.019 461 A HA -0.081 4.239 4.320 0.000 0.000 0.219 461 A C 2.137 179.700 177.584 -0.034 0.000 1.164 461 A CA 1.562 53.575 52.037 -0.039 0.000 0.644 461 A CB -0.511 18.466 19.000 -0.038 0.000 0.805 461 A HN 0.395 nan 8.150 nan 0.000 0.449 462 A N -2.091 120.703 122.820 -0.043 0.000 2.178 462 A HA 0.419 4.739 4.320 0.000 0.000 0.211 462 A C 1.799 179.365 177.584 -0.030 0.000 1.157 462 A CA 1.186 53.201 52.037 -0.037 0.000 0.780 462 A CB -0.723 18.249 19.000 -0.047 0.000 0.828 462 A HN 1.861 nan 8.150 nan 0.000 0.476 463 G N -0.829 107.954 108.800 -0.028 0.000 2.136 463 G HA2 -0.214 3.746 3.960 0.000 0.000 0.242 463 G HA3 -0.214 3.746 3.960 0.000 0.000 0.242 463 G C 0.008 174.903 174.900 -0.008 0.000 0.989 463 G CA 0.297 45.387 45.100 -0.016 0.000 0.682 463 G HN 0.482 nan 8.290 nan 0.000 0.522 464 I N 0.691 121.252 120.570 -0.016 0.000 2.315 464 I HA 0.398 4.568 4.170 0.000 0.000 0.291 464 I C 0.378 176.501 176.117 0.010 0.000 1.006 464 I CA -0.417 60.887 61.300 0.005 0.000 1.265 464 I CB 1.676 39.668 38.000 -0.012 0.000 1.387 464 I HN 0.180 nan 8.210 nan 0.000 0.475 465 E N 7.725 127.944 120.200 0.033 0.000 2.183 465 E HA 0.346 4.696 4.350 0.000 0.000 0.250 465 E C -0.843 175.787 176.600 0.051 0.000 0.901 465 E CA -0.707 55.708 56.400 0.026 0.000 0.741 465 E CB 0.836 30.547 29.700 0.017 0.000 1.182 465 E HN 0.548 nan 8.360 nan 0.000 0.425 466 L N 3.812 125.070 121.223 0.058 0.000 2.601 466 L HA 0.065 4.405 4.340 0.000 0.000 0.277 466 L C 1.433 178.330 176.870 0.045 0.000 1.219 466 L CA 1.343 56.232 54.840 0.083 0.000 0.915 466 L CB 0.203 42.317 42.059 0.092 0.000 1.160 466 L HN 1.028 nan 8.230 nan 0.000 0.494 467 G N 1.561 110.378 108.800 0.028 0.000 2.232 467 G HA2 -0.267 3.693 3.960 0.000 0.000 0.226 467 G HA3 -0.267 3.693 3.960 0.000 0.000 0.226 467 G C 0.700 175.596 174.900 -0.006 0.000 0.996 467 G CA 0.370 45.470 45.100 -0.000 0.000 0.626 467 G HN 0.602 nan 8.290 nan 0.000 0.509 468 S N 0.763 116.469 115.700 0.010 0.000 3.026 468 S HA 0.159 4.629 4.470 0.000 0.000 0.169 468 S C 1.715 176.323 174.600 0.014 0.000 0.680 468 S CA 0.649 58.854 58.200 0.009 0.000 0.826 468 S CB -0.244 62.965 63.200 0.015 0.000 0.779 468 S HN 0.685 nan 8.310 nan 0.000 0.664 469 N N 0.771 119.497 118.700 0.043 0.000 2.521 469 N HA -0.003 4.737 4.740 0.000 0.000 0.188 469 N C -0.502 175.091 175.510 0.138 0.000 1.146 469 N CA 0.473 53.562 53.050 0.064 0.000 0.893 469 N CB -0.100 38.422 38.487 0.059 0.000 0.975 469 N HN 0.475 nan 8.380 nan 0.000 0.451 470 Y N 0.371 120.675 120.300 0.008 0.000 2.348 470 Y HA 0.388 4.938 4.550 0.000 0.000 0.321 470 Y C -2.861 173.053 175.900 0.024 0.000 1.163 470 Y CA -2.091 56.021 58.100 0.019 0.000 1.070 470 Y CB 2.020 40.495 38.460 0.025 0.000 1.250 470 Y HN -0.122 nan 8.280 nan 0.000 0.425 471 P HA 0.283 nan 4.420 nan 0.000 0.276 471 P C -0.671 176.512 177.300 -0.196 0.000 1.252 471 P CA -0.248 62.678 63.100 -0.291 0.000 0.802 471 P CB 1.884 33.415 31.700 -0.282 0.000 1.035 472 L N 1.440 122.613 121.223 -0.083 0.000 2.439 472 L HA 0.312 4.652 4.340 0.000 0.000 0.261 472 L C -1.897 174.881 176.870 -0.154 0.000 1.153 472 L CA -2.187 52.621 54.840 -0.053 0.000 0.808 472 L CB 0.063 42.103 42.059 -0.032 0.000 1.126 472 L HN 0.214 nan 8.230 nan 0.000 0.460 473 P HA -0.073 nan 4.420 nan 0.000 0.258 473 P C 0.748 177.983 177.300 -0.109 0.000 1.172 473 P CA 0.596 63.458 63.100 -0.397 0.000 0.762 473 P CB 0.362 31.591 31.700 -0.784 0.000 0.764 474 I N 3.486 124.072 120.570 0.027 0.000 2.567 474 I HA -0.093 4.077 4.170 0.000 0.000 0.257 474 I C -0.067 176.063 176.117 0.021 0.000 1.184 474 I CA 1.198 62.525 61.300 0.044 0.000 1.451 474 I CB 0.463 38.504 38.000 0.069 0.000 1.089 474 I HN 0.026 nan 8.210 nan 0.000 0.441 475 V N 0.189 120.129 119.914 0.043 0.000 2.789 475 V HA 0.406 4.527 4.120 0.000 0.000 0.300 475 V C 0.231 176.349 176.094 0.041 0.000 1.184 475 V CA -0.712 61.581 62.300 -0.011 0.000 0.930 475 V CB 1.261 32.992 31.823 -0.152 0.000 1.041 475 V HN 0.189 nan 8.190 nan 0.000 0.430 476 G N 2.463 111.256 108.800 -0.012 0.000 2.569 476 G HA2 0.453 4.413 3.960 0.000 0.000 0.249 476 G HA3 0.453 4.413 3.960 0.000 0.000 0.249 476 G C 0.847 175.745 174.900 -0.003 0.000 1.216 476 G CA -0.438 44.653 45.100 -0.015 0.000 0.845 476 G HN 0.726 nan 8.290 nan 0.000 0.568 477 L N 0.348 121.586 121.223 0.025 0.000 2.027 477 L HA -0.075 4.265 4.340 0.000 0.000 0.206 477 L C 2.455 179.299 176.870 -0.044 0.000 1.074 477 L CA 1.122 55.948 54.840 -0.023 0.000 0.745 477 L CB -0.319 41.749 42.059 0.014 0.000 0.898 477 L HN 0.457 nan 8.230 nan 0.000 0.433 478 D N 0.069 120.461 120.400 -0.014 0.000 2.104 478 D HA -0.261 4.379 4.640 0.000 0.000 0.194 478 D C 2.012 178.287 176.300 -0.043 0.000 0.994 478 D CA 1.576 55.567 54.000 -0.016 0.000 0.830 478 D CB -0.067 40.741 40.800 0.014 0.000 0.959 478 D HN 0.417 nan 8.370 nan 0.000 0.452 479 E N 0.546 120.723 120.200 -0.037 0.000 2.153 479 E HA -0.142 4.208 4.350 0.000 0.000 0.194 479 E C 1.937 178.494 176.600 -0.073 0.000 0.988 479 E CA 0.931 57.307 56.400 -0.041 0.000 0.811 479 E CB 0.064 29.750 29.700 -0.025 0.000 0.746 479 E HN 0.169 nan 8.360 nan 0.000 0.466 480 A N 1.176 123.935 122.820 -0.100 0.000 1.873 480 A HA -0.170 4.150 4.320 0.000 0.000 0.215 480 A C 2.129 179.602 177.584 -0.185 0.000 1.186 480 A CA 1.697 53.645 52.037 -0.149 0.000 0.616 480 A CB -0.393 18.489 19.000 -0.196 0.000 0.823 480 A HN 0.104 nan 8.150 nan 0.000 0.442 481 K N 0.185 120.461 120.400 -0.208 0.000 2.103 481 K HA -0.017 4.303 4.320 0.000 0.000 0.207 481 K C 1.979 178.279 176.600 -0.500 0.000 1.048 481 K CA 1.549 57.623 56.287 -0.355 0.000 0.930 481 K CB -0.536 31.793 32.500 -0.284 0.000 0.716 481 K HN 0.363 nan 8.250 nan 0.000 0.444 482 A N 0.522 123.190 122.820 -0.254 0.000 1.902 482 A HA -0.163 4.157 4.320 0.000 0.000 0.217 482 A C 2.208 179.738 177.584 -0.090 0.000 1.181 482 A CA 1.753 53.709 52.037 -0.134 0.000 0.623 482 A CB -0.544 18.427 19.000 -0.048 0.000 0.818 482 A HN 0.364 nan 8.150 nan 0.000 0.443 483 R N -0.899 119.545 120.500 -0.094 0.000 2.115 483 R HA -0.050 4.291 4.340 0.000 0.000 0.226 483 R C 1.959 178.224 176.300 -0.058 0.000 1.100 483 R CA 1.235 57.295 56.100 -0.067 0.000 0.980 483 R CB -0.327 29.942 30.300 -0.051 0.000 0.875 483 R HN 0.418 nan 8.270 nan 0.000 0.445 484 L N 0.480 121.657 121.223 -0.078 0.000 2.046 484 L HA -0.168 4.172 4.340 0.000 0.000 0.208 484 L C 1.778 178.703 176.870 0.092 0.000 1.077 484 L CA 1.951 56.799 54.840 0.013 0.000 0.747 484 L CB -0.463 41.529 42.059 -0.111 0.000 0.896 484 L HN 0.270 nan 8.230 nan 0.000 0.432 485 H N -1.664 117.397 119.070 -0.016 0.000 2.299 485 H HA -0.173 4.383 4.556 0.000 0.000 0.302 485 H C 2.047 177.311 175.328 -0.107 0.000 1.078 485 H CA 0.929 56.954 56.048 -0.039 0.000 1.323 485 H CB 0.164 29.929 29.762 0.004 0.000 1.381 485 H HN 0.343 nan 8.280 nan 0.000 0.498 486 E N 1.653 121.880 120.200 0.045 0.000 2.097 486 E HA -0.203 4.147 4.350 0.000 0.000 0.196 486 E C 2.215 178.711 176.600 -0.174 0.000 1.000 486 E CA 1.418 57.785 56.400 -0.053 0.000 0.804 486 E CB -0.304 29.363 29.700 -0.055 0.000 0.740 486 E HN 0.435 nan 8.360 nan 0.000 0.454 487 A N 0.389 123.076 122.820 -0.221 0.000 1.933 487 A HA -0.090 4.230 4.320 0.000 0.000 0.218 487 A C 2.383 179.632 177.584 -0.558 0.000 1.175 487 A CA 1.446 53.189 52.037 -0.491 0.000 0.628 487 A CB -0.679 17.910 19.000 -0.685 0.000 0.814 487 A HN 0.351 nan 8.150 nan 0.000 0.444 488 L N -0.543 120.438 121.223 -0.403 0.000 2.005 488 L HA -0.162 4.178 4.340 0.000 0.000 0.207 488 L C 2.879 179.113 176.870 -1.060 0.000 1.072 488 L CA 1.484 55.818 54.840 -0.843 0.000 0.744 488 L CB -0.585 40.871 42.059 -1.005 0.000 0.895 488 L HN 0.322 nan 8.230 nan 0.000 0.433 489 S N -0.645 114.711 115.700 -0.572 0.000 2.392 489 S HA -0.333 4.137 4.470 0.000 0.000 0.232 489 S C 1.918 176.451 174.600 -0.112 0.000 1.041 489 S CA 1.655 59.776 58.200 -0.130 0.000 1.026 489 S CB -0.295 62.897 63.200 -0.014 0.000 0.845 489 S HN 0.400 nan 8.310 nan 0.000 0.465 490 Q N 0.583 120.241 119.800 -0.237 0.000 2.046 490 Q HA -0.073 4.267 4.340 0.000 0.000 0.200 490 Q C 2.310 178.187 176.000 -0.205 0.000 0.975 490 Q CA 1.586 57.263 55.803 -0.210 0.000 0.836 490 Q CB -0.229 28.343 28.738 -0.278 0.000 0.896 490 Q HN 0.791 nan 8.270 nan 0.000 0.428 491 M N -1.626 117.785 119.600 -0.314 0.000 2.175 491 M HA -0.134 4.346 4.480 0.000 0.000 0.264 491 M C 1.116 177.431 176.300 0.025 0.000 1.063 491 M CA 1.249 56.447 55.300 -0.171 0.000 1.119 491 M CB -0.362 32.110 32.600 -0.214 0.000 1.377 491 M HN 0.141 nan 8.290 nan 0.000 0.415 492 W N 1.680 122.973 121.300 -0.011 0.000 2.358 492 W HA -0.070 4.590 4.660 0.000 0.000 0.303 492 W C 2.458 178.956 176.519 -0.035 0.000 1.208 492 W CA 1.213 58.558 57.345 0.000 0.000 1.274 492 W CB -1.291 28.170 29.460 0.001 0.000 1.138 492 W HN 0.488 nan 8.180 nan 0.000 0.515 493 Q N -0.565 119.332 119.800 0.163 0.000 2.167 493 Q HA -0.139 4.201 4.340 0.000 0.000 0.202 493 Q C 2.188 178.152 176.000 -0.059 0.000 0.970 493 Q CA 0.825 56.653 55.803 0.041 0.000 0.855 493 Q CB -0.414 28.327 28.738 0.005 0.000 0.911 493 Q HN 0.124 nan 8.270 nan 0.000 0.438 494 L N 0.926 122.075 121.223 -0.123 0.000 2.217 494 L HA -0.124 4.216 4.340 0.000 0.000 0.211 494 L C 1.987 178.585 176.870 -0.453 0.000 1.107 494 L CA 1.561 56.199 54.840 -0.338 0.000 0.783 494 L CB -0.847 40.960 42.059 -0.421 0.000 0.919 494 L HN 0.317 nan 8.230 nan 0.000 0.442 495 E N 0.283 120.405 120.200 -0.130 0.000 2.118 495 E HA -0.138 4.212 4.350 0.000 0.000 0.195 495 E C 1.164 177.747 176.600 -0.027 0.000 0.992 495 E CA 0.873 57.295 56.400 0.038 0.000 0.804 495 E CB -0.069 29.764 29.700 0.221 0.000 0.741 495 E HN 0.388 nan 8.360 nan 0.000 0.458 496 A N 1.372 124.169 122.820 -0.038 0.000 3.051 496 A HA 0.389 4.709 4.320 0.000 0.000 0.275 496 A C 0.055 177.589 177.584 -0.083 0.000 1.900 496 A CA 0.797 52.811 52.037 -0.038 0.000 1.496 496 A CB -0.856 18.128 19.000 -0.027 0.000 1.013 496 A HN 0.241 nan 8.150 nan 0.000 0.611 497 A N 0.000 122.772 122.820 -0.080 0.000 2.254 497 A HA 0.000 4.320 4.320 0.000 0.000 0.244 497 A CA 0.000 51.982 52.037 -0.091 0.000 0.836 497 A CB 0.000 18.904 19.000 -0.160 0.000 0.831 497 A HN 0.000 nan 8.150 nan 0.000 0.486