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 2pp1_1_A DATA FIRST_RESID 4 DATA SEQUENCE SANSDAVTYA KAANTRTAAE TGDRIEWVKL SLAFLPLATP VSDAKVLTGR DATA SEQUENCE QKPLTEVAII IAEIRSRDGF EGVGFSYSKR AGGQGIYAHA KEIADNLLGE DATA SEQUENCE DPNDIDKIYT KLLWAGASVG RSGMAVQAIS PIDIALWDMK AKRAGLPLAK DATA SEQUENCE LLGAHRDSVQ CYNTSGGFLH TPLDQVLKNV VISRENGIGG IKLKVGQPNC DATA SEQUENCE AEDIRRLTAV REALGDEFPL MVDANQQWDR ETAIRMGRKM EQFNLIWIEE DATA SEQUENCE PLDAYDIEGH AQLAAALDTP IATGEMLTSF REHEQLILGN ASDFVQPDAP DATA SEQUENCE RVGGISPFLK IMDLAAKHGR KLAPHFAMEV HLHLSAAYPL EPWLEHFEWL DATA SEQUENCE NPLFNEQLEL RDGRMWISDR HGLGFTLSEQ ARRWTQLTCE FGKRP 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 4 S HA 0.000 nan 4.470 nan 0.000 0.327 4 S C 0.000 174.587 174.600 -0.022 0.000 1.055 4 S CA 0.000 58.191 58.200 -0.016 0.000 1.107 4 S CB 0.000 63.191 63.200 -0.015 0.000 0.593 5 A N 1.946 124.752 122.820 -0.023 0.000 1.930 5 A HA 0.228 4.548 4.320 -0.000 0.000 0.217 5 A C 0.965 178.525 177.584 -0.040 0.000 1.175 5 A CA 1.759 53.778 52.037 -0.030 0.000 0.627 5 A CB -0.845 18.140 19.000 -0.025 0.000 0.815 5 A HN 1.395 nan 8.150 nan 0.000 0.443 6 N N -2.001 116.678 118.700 -0.035 0.000 3.243 6 N HA 0.492 5.232 4.740 -0.000 0.000 0.280 6 N C -0.795 174.697 175.510 -0.031 0.000 1.545 6 N CA 0.308 53.333 53.050 -0.041 0.000 0.854 6 N CB 0.845 39.308 38.487 -0.040 0.000 1.612 6 N HN 0.421 nan 8.380 nan 0.000 0.577 7 S N -1.816 113.865 115.700 -0.031 0.000 2.790 7 S HA 0.404 4.874 4.470 -0.000 0.000 0.292 7 S C -0.596 173.994 174.600 -0.018 0.000 1.197 7 S CA -0.523 57.665 58.200 -0.021 0.000 0.851 7 S CB 0.971 64.160 63.200 -0.018 0.000 1.217 7 S HN 0.385 nan 8.310 nan 0.000 0.526 8 D N 0.826 121.220 120.400 -0.011 0.000 2.269 8 D HA 0.328 4.968 4.640 -0.000 0.000 0.208 8 D C 1.195 177.492 176.300 -0.005 0.000 0.963 8 D CA 1.409 55.404 54.000 -0.007 0.000 0.864 8 D CB -0.276 40.522 40.800 -0.003 0.000 0.936 8 D HN 0.645 nan 8.370 nan 0.000 0.505 9 A N -0.190 122.627 122.820 -0.005 0.000 3.888 9 A HA 0.635 4.955 4.320 -0.000 0.000 0.158 9 A C -0.343 177.234 177.584 -0.011 0.000 1.485 9 A CA -0.297 51.741 52.037 0.002 0.000 1.261 9 A CB 0.837 19.844 19.000 0.012 0.000 1.670 9 A HN -0.008 nan 8.150 nan 0.000 0.661 10 V N -0.167 119.744 119.914 -0.005 0.000 2.932 10 V HA 0.665 4.785 4.120 -0.000 0.000 0.307 10 V C -0.856 175.204 176.094 -0.056 0.000 1.147 10 V CA 0.375 62.641 62.300 -0.056 0.000 0.951 10 V CB 2.028 33.834 31.823 -0.030 0.000 1.031 10 V HN 1.427 nan 8.190 nan 0.000 0.426 11 T N 2.860 117.304 114.554 -0.183 0.000 2.916 11 T HA 0.772 5.122 4.350 -0.000 0.000 0.292 11 T C -1.375 173.118 174.700 -0.345 0.000 1.055 11 T CA -0.592 61.441 62.100 -0.112 0.000 1.009 11 T CB 1.802 70.639 68.868 -0.052 0.000 1.118 11 T HN 0.562 nan 8.240 nan 0.000 0.497 12 Y N 0.111 120.410 120.300 -0.001 0.000 2.391 12 Y HA 0.641 5.191 4.550 -0.000 0.000 0.341 12 Y C 0.449 176.349 175.900 -0.001 0.000 0.965 12 Y CA -1.078 57.022 58.100 -0.001 0.000 1.067 12 Y CB 1.959 40.418 38.460 -0.001 0.000 1.199 12 Y HN 1.108 nan 8.280 nan 0.000 0.450 13 A N 3.202 126.082 122.820 0.100 0.000 2.371 13 A HA 0.663 4.983 4.320 -0.000 0.000 0.257 13 A C -0.563 177.070 177.584 0.082 0.000 1.089 13 A CA -0.572 51.504 52.037 0.065 0.000 0.794 13 A CB 0.426 19.444 19.000 0.030 0.000 1.029 13 A HN 0.633 nan 8.150 nan 0.000 0.488 14 K N 0.638 121.071 120.400 0.055 0.000 2.203 14 K HA 0.631 4.951 4.320 -0.000 0.000 0.251 14 K C -0.255 176.363 176.600 0.030 0.000 0.944 14 K CA -0.116 56.197 56.287 0.044 0.000 0.829 14 K CB 1.884 34.404 32.500 0.035 0.000 1.125 14 K HN 0.748 nan 8.250 nan 0.000 0.430 15 A N 2.167 125.002 122.820 0.025 0.000 2.343 15 A HA 0.460 4.780 4.320 -0.000 0.000 0.305 15 A C 1.116 178.708 177.584 0.013 0.000 1.308 15 A CA 0.117 52.165 52.037 0.018 0.000 0.949 15 A CB -0.121 18.889 19.000 0.016 0.000 1.148 15 A HN 0.805 nan 8.150 nan 0.000 0.545 16 A N 2.942 125.769 122.820 0.012 0.000 1.978 16 A HA -0.133 4.187 4.320 -0.000 0.000 0.220 16 A C 1.180 178.768 177.584 0.008 0.000 1.170 16 A CA 1.817 53.859 52.037 0.009 0.000 0.636 16 A CB -0.311 18.694 19.000 0.008 0.000 0.810 16 A HN 0.801 nan 8.150 nan 0.000 0.448 17 N N -0.380 118.325 118.700 0.008 0.000 2.524 17 N HA 0.220 4.960 4.740 -0.000 0.000 0.261 17 N C 0.136 175.650 175.510 0.007 0.000 0.998 17 N CA 0.379 53.433 53.050 0.007 0.000 0.915 17 N CB 1.172 39.663 38.487 0.006 0.000 1.187 17 N HN 0.098 nan 8.380 nan 0.000 0.507 18 T N 0.033 114.591 114.554 0.006 0.000 3.163 18 T HA 0.210 4.559 4.350 -0.000 0.000 0.252 18 T C 0.797 175.499 174.700 0.004 0.000 1.056 18 T CA -0.375 61.728 62.100 0.005 0.000 0.947 18 T CB -0.185 68.686 68.868 0.004 0.000 1.016 18 T HN 0.390 nan 8.240 nan 0.000 0.554 19 R N 2.912 123.415 120.500 0.005 0.000 2.502 19 R HA 0.217 4.557 4.340 -0.000 0.000 0.292 19 R C 0.259 176.561 176.300 0.004 0.000 0.998 19 R CA 0.359 56.461 56.100 0.004 0.000 1.056 19 R CB 0.232 30.535 30.300 0.005 0.000 0.939 19 R HN 0.499 nan 8.270 nan 0.000 0.411 20 T N 0.836 115.392 114.554 0.003 0.000 2.943 20 T HA 0.450 4.800 4.350 -0.000 0.000 0.284 20 T C 1.159 175.859 174.700 0.001 0.000 1.015 20 T CA -0.403 61.698 62.100 0.002 0.000 1.042 20 T CB 1.903 70.772 68.868 0.001 0.000 1.055 20 T HN 0.580 nan 8.240 nan 0.000 0.500 21 A N 1.153 123.972 122.820 -0.001 0.000 1.972 21 A HA 0.249 4.569 4.320 -0.000 0.000 0.219 21 A C 2.523 180.104 177.584 -0.004 0.000 1.169 21 A CA 1.615 53.649 52.037 -0.004 0.000 0.635 21 A CB -1.405 17.590 19.000 -0.008 0.000 0.810 21 A HN 1.227 nan 8.150 nan 0.000 0.446 22 A N 0.946 123.764 122.820 -0.003 0.000 1.873 22 A HA -0.169 4.151 4.320 -0.000 0.000 0.215 22 A C 1.954 179.538 177.584 0.001 0.000 1.186 22 A CA 1.601 53.636 52.037 -0.002 0.000 0.616 22 A CB -0.580 18.419 19.000 -0.002 0.000 0.823 22 A HN 0.767 nan 8.150 nan 0.000 0.442 23 E N -0.347 119.855 120.200 0.003 0.000 2.358 23 E HA -0.096 4.254 4.350 -0.000 0.000 0.195 23 E C 1.434 178.039 176.600 0.009 0.000 1.010 23 E CA 1.393 57.796 56.400 0.005 0.000 0.856 23 E CB -0.472 29.231 29.700 0.005 0.000 0.795 23 E HN 0.632 nan 8.360 nan 0.000 0.504 24 T N -2.298 112.261 114.554 0.008 0.000 3.001 24 T HA 0.242 4.592 4.350 -0.000 0.000 0.251 24 T C 1.152 175.862 174.700 0.016 0.000 1.040 24 T CA 0.007 62.115 62.100 0.013 0.000 0.985 24 T CB 0.294 69.169 68.868 0.012 0.000 1.011 24 T HN 0.175 nan 8.240 nan 0.000 0.509 25 G N 1.409 110.215 108.800 0.010 0.000 2.630 25 G HA2 0.295 4.255 3.960 -0.000 0.000 0.236 25 G HA3 0.295 4.255 3.960 -0.000 0.000 0.236 25 G C -0.294 174.620 174.900 0.023 0.000 1.248 25 G CA -0.335 44.770 45.100 0.009 0.000 0.844 25 G HN 0.291 nan 8.290 nan 0.000 0.588 26 D N -0.422 119.996 120.400 0.031 0.000 2.363 26 D HA 0.259 4.899 4.640 -0.000 0.000 0.240 26 D C 0.403 176.730 176.300 0.045 0.000 1.236 26 D CA 0.221 54.257 54.000 0.060 0.000 0.927 26 D CB 0.526 41.379 40.800 0.089 0.000 1.150 26 D HN 0.155 nan 8.370 nan 0.000 0.458 27 R N 1.183 121.720 120.500 0.062 0.000 2.651 27 R HA 0.391 4.731 4.340 -0.000 0.000 0.278 27 R C -0.629 175.714 176.300 0.071 0.000 1.010 27 R CA -0.762 55.369 56.100 0.052 0.000 0.896 27 R CB 1.062 31.390 30.300 0.046 0.000 1.211 27 R HN 0.450 nan 8.270 nan 0.000 0.456 28 I N 2.400 123.007 120.570 0.062 0.000 2.496 28 I HA 0.047 4.217 4.170 -0.000 0.000 0.285 28 I C 1.197 177.375 176.117 0.102 0.000 1.080 28 I CA 0.609 61.959 61.300 0.084 0.000 1.404 28 I CB 0.700 38.731 38.000 0.052 0.000 1.403 28 I HN 0.569 nan 8.210 nan 0.000 0.539 29 E N 4.143 124.436 120.200 0.154 0.000 2.541 29 E HA 0.075 4.425 4.350 -0.000 0.000 0.219 29 E C -0.774 176.001 176.600 0.290 0.000 0.922 29 E CA -0.150 56.355 56.400 0.176 0.000 1.095 29 E CB 1.041 30.829 29.700 0.146 0.000 1.112 29 E HN 0.611 nan 8.360 nan 0.000 0.516 30 W N 0.774 122.117 121.300 0.072 0.000 3.217 30 W HA 0.459 5.118 4.660 -0.000 0.000 0.323 30 W C -1.917 174.670 176.519 0.113 0.000 1.216 30 W CA -0.515 56.886 57.345 0.093 0.000 1.194 30 W CB 1.355 30.858 29.460 0.073 0.000 1.397 30 W HN -0.358 nan 8.180 nan 0.000 0.537 31 V N 4.879 124.455 119.914 -0.564 0.000 2.777 31 V HA 0.452 4.572 4.120 -0.000 0.000 0.306 31 V C -0.979 174.597 176.094 -0.863 0.000 1.112 31 V CA -1.277 60.697 62.300 -0.543 0.000 0.917 31 V CB 1.853 33.579 31.823 -0.162 0.000 1.018 31 V HN 0.448 nan 8.190 nan 0.000 0.426 32 K N 4.542 124.456 120.400 -0.810 0.000 2.426 32 K HA 0.778 5.098 4.320 -0.000 0.000 0.254 32 K C -1.790 174.742 176.600 -0.114 0.000 0.936 32 K CA -0.624 55.358 56.287 -0.509 0.000 0.801 32 K CB 1.718 33.884 32.500 -0.556 0.000 1.139 32 K HN 0.657 nan 8.250 nan 0.000 0.424 33 L N 2.299 123.550 121.223 0.046 0.000 2.334 33 L HA 0.536 4.876 4.340 -0.000 0.000 0.276 33 L C -0.571 176.472 176.870 0.287 0.000 1.014 33 L CA -0.856 54.086 54.840 0.171 0.000 0.815 33 L CB 2.181 44.344 42.059 0.174 0.000 1.268 33 L HN 0.641 nan 8.230 nan 0.000 0.428 34 S N 2.622 118.483 115.700 0.269 0.000 2.541 34 S HA 0.611 5.081 4.470 -0.000 0.000 0.280 34 S C -1.238 173.371 174.600 0.016 0.000 1.112 34 S CA -0.514 57.768 58.200 0.137 0.000 0.925 34 S CB 2.416 65.661 63.200 0.074 0.000 1.067 34 S HN 0.398 nan 8.310 nan 0.000 0.479 35 L N 3.034 124.073 121.223 -0.306 0.000 2.316 35 L HA 0.877 5.217 4.340 -0.000 0.000 0.280 35 L C -0.356 176.343 176.870 -0.285 0.000 1.006 35 L CA -0.187 54.421 54.840 -0.387 0.000 0.836 35 L CB 0.409 42.038 42.059 -0.717 0.000 1.221 35 L HN 0.819 nan 8.230 nan 0.000 0.418 36 A N 4.117 126.760 122.820 -0.294 0.000 2.386 36 A HA 0.859 5.179 4.320 -0.000 0.000 0.308 36 A C -1.499 175.806 177.584 -0.464 0.000 1.128 36 A CA -0.434 51.491 52.037 -0.185 0.000 0.789 36 A CB 0.924 19.903 19.000 -0.036 0.000 1.325 36 A HN 0.541 nan 8.150 nan 0.000 0.437 37 F N 0.199 120.093 119.950 -0.095 0.000 2.518 37 F HA 0.479 5.006 4.527 -0.000 0.000 0.323 37 F C -0.305 175.196 175.800 -0.498 0.000 1.129 37 F CA -0.422 57.447 58.000 -0.218 0.000 0.920 37 F CB 2.099 40.982 39.000 -0.194 0.000 1.160 37 F HN 0.383 nan 8.300 nan 0.000 0.440 38 L N 7.629 128.620 121.223 -0.387 0.000 2.268 38 L HA 0.483 4.823 4.340 -0.000 0.000 0.289 38 L C -2.245 174.235 176.870 -0.651 0.000 1.064 38 L CA -2.037 52.357 54.840 -0.743 0.000 0.824 38 L CB 0.392 42.199 42.059 -0.421 0.000 1.202 38 L HN 0.230 nan 8.230 nan 0.000 0.433 39 P HA 0.133 nan 4.420 nan 0.000 0.279 39 P C -1.115 175.920 177.300 -0.442 0.000 1.239 39 P CA -0.210 62.586 63.100 -0.507 0.000 0.789 39 P CB 1.036 32.484 31.700 -0.421 0.000 0.933 40 L N 2.947 123.932 121.223 -0.396 0.000 2.301 40 L HA 0.328 4.668 4.340 -0.000 0.000 0.278 40 L C 1.694 178.391 176.870 -0.288 0.000 1.022 40 L CA -0.701 53.883 54.840 -0.428 0.000 0.854 40 L CB 1.318 43.017 42.059 -0.600 0.000 1.226 40 L HN 0.375 nan 8.230 nan 0.000 0.429 41 A N 2.141 124.839 122.820 -0.204 0.000 1.948 41 A HA -0.094 4.226 4.320 -0.000 0.000 0.220 41 A C 1.114 178.616 177.584 -0.137 0.000 1.177 41 A CA 1.456 53.414 52.037 -0.131 0.000 0.636 41 A CB -0.316 18.642 19.000 -0.070 0.000 0.815 41 A HN 0.588 nan 8.150 nan 0.000 0.449 42 T N 1.996 116.453 114.554 -0.162 0.000 2.781 42 T HA 0.465 4.815 4.350 -0.000 0.000 0.305 42 T C -2.717 171.800 174.700 -0.305 0.000 1.001 42 T CA -1.021 60.977 62.100 -0.170 0.000 0.950 42 T CB 1.196 70.020 68.868 -0.074 0.000 0.955 42 T HN 0.055 nan 8.240 nan 0.000 0.471 43 P HA 0.078 nan 4.420 nan 0.000 0.262 43 P C -0.704 176.240 177.300 -0.593 0.000 1.182 43 P CA -0.123 62.765 63.100 -0.354 0.000 0.761 43 P CB 0.413 31.965 31.700 -0.246 0.000 0.795 44 V N 3.961 123.587 119.914 -0.479 0.000 2.427 44 V HA 0.348 4.468 4.120 -0.000 0.000 0.286 44 V C 0.231 176.260 176.094 -0.108 0.000 1.034 44 V CA 0.030 62.058 62.300 -0.453 0.000 0.893 44 V CB 1.569 33.159 31.823 -0.389 0.000 0.982 44 V HN 0.449 nan 8.190 nan 0.000 0.452 45 S N 3.336 119.187 115.700 0.251 0.000 2.707 45 S HA 0.520 4.990 4.470 -0.000 0.000 0.303 45 S C -0.667 174.234 174.600 0.502 0.000 1.132 45 S CA -0.942 57.446 58.200 0.314 0.000 1.046 45 S CB 1.298 64.635 63.200 0.227 0.000 1.004 45 S HN 0.981 nan 8.310 nan 0.000 0.483 46 D N 1.817 122.473 120.400 0.428 0.000 2.564 46 D HA 0.629 5.269 4.640 -0.000 0.000 0.273 46 D C 1.296 177.680 176.300 0.140 0.000 1.192 46 D CA -0.737 53.453 54.000 0.317 0.000 1.080 46 D CB -0.019 40.951 40.800 0.285 0.000 1.160 46 D HN 0.340 nan 8.370 nan 0.000 0.607 47 A N -0.598 122.242 122.820 0.034 0.000 2.024 47 A HA -0.218 4.102 4.320 -0.000 0.000 0.220 47 A C 1.817 179.408 177.584 0.011 0.000 1.164 47 A CA 1.476 53.507 52.037 -0.011 0.000 0.643 47 A CB -0.851 18.078 19.000 -0.118 0.000 0.806 47 A HN 0.542 nan 8.150 nan 0.000 0.451 48 K N -0.588 119.832 120.400 0.032 0.000 2.209 48 K HA -0.055 4.265 4.320 -0.000 0.000 0.204 48 K C 1.675 178.303 176.600 0.047 0.000 1.048 48 K CA 1.327 57.636 56.287 0.036 0.000 0.940 48 K CB -0.198 32.332 32.500 0.050 0.000 0.729 48 K HN 0.378 nan 8.250 nan 0.000 0.451 49 V N 0.770 120.723 119.914 0.066 0.000 2.446 49 V HA -0.134 3.986 4.120 -0.000 0.000 0.244 49 V C 1.825 177.950 176.094 0.053 0.000 1.039 49 V CA 1.065 63.401 62.300 0.061 0.000 1.045 49 V CB -0.182 31.689 31.823 0.080 0.000 0.681 49 V HN 0.144 nan 8.190 nan 0.000 0.459 50 L N 0.970 122.227 121.223 0.058 0.000 2.362 50 L HA -0.074 4.266 4.340 -0.000 0.000 0.219 50 L C 2.409 179.303 176.870 0.040 0.000 1.134 50 L CA 2.137 57.007 54.840 0.050 0.000 0.807 50 L CB -0.979 41.112 42.059 0.052 0.000 0.927 50 L HN 0.593 nan 8.230 nan 0.000 0.447 51 T N -4.995 109.580 114.554 0.035 0.000 3.086 51 T HA 0.350 4.700 4.350 -0.000 0.000 0.250 51 T C 1.501 176.219 174.700 0.030 0.000 1.074 51 T CA 0.374 62.494 62.100 0.033 0.000 0.988 51 T CB 0.265 69.151 68.868 0.029 0.000 0.988 51 T HN 0.342 nan 8.240 nan 0.000 0.530 52 G N 1.931 110.748 108.800 0.029 0.000 2.179 52 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.260 52 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.260 52 G C 1.178 176.092 174.900 0.022 0.000 0.977 52 G CA 0.186 45.300 45.100 0.025 0.000 0.641 52 G HN 0.424 nan 8.290 nan 0.000 0.533 53 R N -0.011 120.503 120.500 0.025 0.000 2.115 53 R HA 0.078 4.418 4.340 -0.000 0.000 0.230 53 R C 1.324 177.637 176.300 0.023 0.000 1.111 53 R CA 1.469 57.583 56.100 0.023 0.000 0.976 53 R CB -0.119 30.196 30.300 0.025 0.000 0.870 53 R HN 0.709 nan 8.270 nan 0.000 0.445 54 Q N -0.713 119.103 119.800 0.027 0.000 2.615 54 Q HA 0.374 4.714 4.340 -0.000 0.000 0.298 54 Q C -0.806 175.206 176.000 0.021 0.000 1.023 54 Q CA -0.942 54.876 55.803 0.024 0.000 0.768 54 Q CB 2.184 30.942 28.738 0.034 0.000 1.500 54 Q HN -0.233 nan 8.270 nan 0.000 0.441 55 K N 0.797 121.203 120.400 0.011 0.000 2.106 55 K HA 0.509 4.829 4.320 -0.000 0.000 0.246 55 K C -2.476 174.121 176.600 -0.006 0.000 0.987 55 K CA -1.948 54.338 56.287 -0.001 0.000 0.904 55 K CB 0.420 32.911 32.500 -0.014 0.000 1.071 55 K HN 0.322 nan 8.250 nan 0.000 0.453 56 P HA -0.028 nan 4.420 nan 0.000 0.266 56 P C -0.498 176.757 177.300 -0.076 0.000 1.193 56 P CA -0.303 62.768 63.100 -0.049 0.000 0.770 56 P CB 0.333 31.984 31.700 -0.082 0.000 0.836 57 L N 3.407 124.571 121.223 -0.097 0.000 2.319 57 L HA 0.269 4.609 4.340 -0.000 0.000 0.280 57 L C 1.047 177.785 176.870 -0.218 0.000 1.099 57 L CA 0.877 55.640 54.840 -0.128 0.000 0.828 57 L CB 0.311 42.304 42.059 -0.110 0.000 1.150 57 L HN 0.497 nan 8.230 nan 0.000 0.442 58 T N 0.395 114.830 114.554 -0.199 0.000 3.003 58 T HA 0.322 4.671 4.350 -0.000 0.000 0.261 58 T C 0.119 174.663 174.700 -0.261 0.000 1.003 58 T CA 0.294 62.253 62.100 -0.234 0.000 0.917 58 T CB -0.165 68.595 68.868 -0.179 0.000 1.084 58 T HN 0.707 nan 8.240 nan 0.000 0.522 59 E N -0.284 119.778 120.200 -0.229 0.000 2.422 59 E HA 0.578 4.928 4.350 -0.000 0.000 0.280 59 E C -2.183 174.348 176.600 -0.115 0.000 1.091 59 E CA -1.203 55.074 56.400 -0.205 0.000 0.849 59 E CB 1.556 31.186 29.700 -0.117 0.000 1.353 59 E HN -0.020 nan 8.360 nan 0.000 0.449 60 V N 0.608 120.473 119.914 -0.083 0.000 2.577 60 V HA 0.668 4.787 4.120 -0.000 0.000 0.303 60 V C -0.209 175.874 176.094 -0.018 0.000 1.042 60 V CA -0.390 61.914 62.300 0.006 0.000 0.872 60 V CB 1.388 33.223 31.823 0.020 0.000 0.998 60 V HN 0.871 nan 8.190 nan 0.000 0.423 61 A N 6.317 129.124 122.820 -0.022 0.000 2.401 61 A HA 0.758 5.078 4.320 -0.000 0.000 0.259 61 A C -0.455 177.032 177.584 -0.161 0.000 1.103 61 A CA -0.141 51.653 52.037 -0.404 0.000 0.789 61 A CB 0.123 18.946 19.000 -0.294 0.000 1.035 61 A HN 0.620 nan 8.150 nan 0.000 0.491 62 I N 3.476 123.882 120.570 -0.274 0.000 2.439 62 I HA 0.295 4.465 4.170 -0.000 0.000 0.285 62 I C -1.027 175.064 176.117 -0.043 0.000 1.021 62 I CA -0.436 60.830 61.300 -0.056 0.000 1.091 62 I CB 1.298 39.219 38.000 -0.132 0.000 1.242 62 I HN 0.402 nan 8.210 nan 0.000 0.439 63 I N 7.451 128.088 120.570 0.112 0.000 2.330 63 I HA 0.414 4.584 4.170 -0.000 0.000 0.289 63 I C 0.179 176.428 176.117 0.221 0.000 1.001 63 I CA -0.032 61.356 61.300 0.146 0.000 1.193 63 I CB 1.017 39.120 38.000 0.171 0.000 1.345 63 I HN 0.289 nan 8.210 nan 0.000 0.461 64 I N 5.245 125.928 120.570 0.189 0.000 2.493 64 I HA 0.795 4.965 4.170 -0.000 0.000 0.298 64 I C 0.023 176.245 176.117 0.176 0.000 0.998 64 I CA -0.720 60.708 61.300 0.213 0.000 1.137 64 I CB 1.847 39.946 38.000 0.166 0.000 1.310 64 I HN 0.617 nan 8.210 nan 0.000 0.445 65 A N 4.951 127.871 122.820 0.167 0.000 2.371 65 A HA 0.747 5.067 4.320 -0.000 0.000 0.311 65 A C -0.913 176.738 177.584 0.111 0.000 1.068 65 A CA -0.526 51.572 52.037 0.101 0.000 0.744 65 A CB 1.065 20.106 19.000 0.067 0.000 1.239 65 A HN 0.759 nan 8.150 nan 0.000 0.435 66 E N 1.593 121.829 120.200 0.060 0.000 2.224 66 E HA 0.584 4.934 4.350 -0.000 0.000 0.265 66 E C -1.374 175.269 176.600 0.071 0.000 0.878 66 E CA -0.266 56.209 56.400 0.124 0.000 0.759 66 E CB 2.306 32.132 29.700 0.209 0.000 1.164 66 E HN 0.603 nan 8.360 nan 0.000 0.414 67 I N 2.463 123.132 120.570 0.164 0.000 2.498 67 I HA 0.468 4.638 4.170 -0.000 0.000 0.290 67 I C -0.316 175.971 176.117 0.283 0.000 1.032 67 I CA -0.799 60.603 61.300 0.171 0.000 1.073 67 I CB 1.810 39.868 38.000 0.096 0.000 1.251 67 I HN 0.263 nan 8.210 nan 0.000 0.426 68 R N 3.387 124.108 120.500 0.369 0.000 2.534 68 R HA 0.535 4.875 4.340 -0.000 0.000 0.301 68 R C -0.608 175.834 176.300 0.236 0.000 0.961 68 R CA -0.598 55.692 56.100 0.317 0.000 0.871 68 R CB 2.495 33.004 30.300 0.349 0.000 1.170 68 R HN 0.796 nan 8.270 nan 0.000 0.446 69 S N 1.258 117.073 115.700 0.192 0.000 2.690 69 S HA 0.262 4.732 4.470 -0.000 0.000 0.291 69 S C 1.061 175.732 174.600 0.119 0.000 1.138 69 S CA -0.929 57.370 58.200 0.165 0.000 1.013 69 S CB 2.223 65.547 63.200 0.207 0.000 1.053 69 S HN 0.796 nan 8.310 nan 0.000 0.539 70 R N 0.479 121.040 120.500 0.101 0.000 2.096 70 R HA -0.147 4.193 4.340 -0.000 0.000 0.240 70 R C 0.147 176.473 176.300 0.043 0.000 1.139 70 R CA 2.093 58.232 56.100 0.066 0.000 0.952 70 R CB -0.696 29.641 30.300 0.061 0.000 0.854 70 R HN 0.743 nan 8.270 nan 0.000 0.436 71 D N -0.945 119.502 120.400 0.078 0.000 2.338 71 D HA 0.089 4.729 4.640 -0.000 0.000 0.239 71 D C 0.830 177.041 176.300 -0.148 0.000 1.095 71 D CA 1.049 55.070 54.000 0.035 0.000 0.888 71 D CB 0.423 41.318 40.800 0.157 0.000 0.899 71 D HN 0.613 nan 8.370 nan 0.000 0.525 72 G N 0.043 108.761 108.800 -0.136 0.000 2.157 72 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.239 72 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.239 72 G C 0.064 174.742 174.900 -0.370 0.000 0.982 72 G CA -0.506 44.431 45.100 -0.272 0.000 0.650 72 G HN 0.235 nan 8.290 nan 0.000 0.527 73 F N 1.193 121.168 119.950 0.041 0.000 2.399 73 F HA 0.706 5.233 4.527 -0.000 0.000 0.328 73 F C 0.582 176.427 175.800 0.074 0.000 1.084 73 F CA -0.639 57.392 58.000 0.051 0.000 1.053 73 F CB 1.379 40.403 39.000 0.040 0.000 1.209 73 F HN 0.186 nan 8.300 nan 0.000 0.502 74 E N 1.013 121.381 120.200 0.280 0.000 2.340 74 E HA 0.684 5.034 4.350 -0.000 0.000 0.273 74 E C -1.514 175.210 176.600 0.207 0.000 0.891 74 E CA -0.942 55.592 56.400 0.224 0.000 0.757 74 E CB 1.988 31.800 29.700 0.187 0.000 1.231 74 E HN 0.706 nan 8.360 nan 0.000 0.439 75 G N 0.524 109.438 108.800 0.191 0.000 2.620 75 G HA2 0.563 4.523 3.960 -0.000 0.000 0.301 75 G HA3 0.563 4.523 3.960 -0.000 0.000 0.301 75 G C -1.553 173.453 174.900 0.177 0.000 1.347 75 G CA -0.473 44.725 45.100 0.164 0.000 0.971 75 G HN 0.427 nan 8.290 nan 0.000 0.488 76 V N 0.492 120.516 119.914 0.183 0.000 2.876 76 V HA 1.018 5.138 4.120 -0.000 0.000 0.312 76 V C 0.114 176.337 176.094 0.214 0.000 1.085 76 V CA 0.429 62.857 62.300 0.212 0.000 0.945 76 V CB 1.957 33.931 31.823 0.252 0.000 1.017 76 V HN 1.575 nan 8.190 nan 0.000 0.428 77 G N 4.112 113.052 108.800 0.234 0.000 2.660 77 G HA2 0.805 4.765 3.960 -0.000 0.000 0.290 77 G HA3 0.805 4.765 3.960 -0.000 0.000 0.290 77 G C -1.603 173.480 174.900 0.304 0.000 1.432 77 G CA -0.155 45.066 45.100 0.201 0.000 0.807 77 G HN 1.598 nan 8.290 nan 0.000 0.485 78 F N -0.771 119.251 119.950 0.119 0.000 2.713 78 F HA 0.875 5.402 4.527 -0.000 0.000 0.311 78 F C -0.272 175.612 175.800 0.139 0.000 1.141 78 F CA -0.744 57.332 58.000 0.128 0.000 0.939 78 F CB 1.456 40.546 39.000 0.150 0.000 1.325 78 F HN 0.963 nan 8.300 nan 0.000 0.453 79 S N 0.482 116.388 115.700 0.343 0.000 2.811 79 S HA 0.937 5.407 4.470 -0.000 0.000 0.311 79 S C -1.421 173.465 174.600 0.477 0.000 1.152 79 S CA -0.304 58.057 58.200 0.268 0.000 0.864 79 S CB 2.367 65.626 63.200 0.097 0.000 1.226 79 S HN 1.768 nan 8.310 nan 0.000 0.541 80 Y N -2.029 118.420 120.300 0.249 0.000 2.764 80 Y HA 0.837 5.387 4.550 -0.000 0.000 0.331 80 Y C -1.006 174.979 175.900 0.142 0.000 1.280 80 Y CA -0.785 57.439 58.100 0.207 0.000 1.065 80 Y CB 1.058 39.710 38.460 0.320 0.000 1.319 80 Y HN 0.931 nan 8.280 nan 0.000 0.453 81 S N 0.635 116.432 115.700 0.161 0.000 2.566 81 S HA 0.493 4.963 4.470 -0.000 0.000 0.273 81 S C -2.040 172.701 174.600 0.235 0.000 1.157 81 S CA -0.941 57.295 58.200 0.059 0.000 0.938 81 S CB 0.964 64.178 63.200 0.023 0.000 1.087 81 S HN 0.630 nan 8.310 nan 0.000 0.474 82 K N 3.777 124.312 120.400 0.226 0.000 2.292 82 K HA 0.587 4.907 4.320 -0.000 0.000 0.270 82 K C -0.014 176.648 176.600 0.103 0.000 1.062 82 K CA -0.562 55.826 56.287 0.168 0.000 0.916 82 K CB 0.891 33.490 32.500 0.164 0.000 1.166 82 K HN 0.755 nan 8.250 nan 0.000 0.458 83 R N -0.008 120.544 120.500 0.086 0.000 4.183 83 R HA -0.159 4.181 4.340 -0.000 0.000 0.290 83 R C -0.606 175.740 176.300 0.077 0.000 0.241 83 R CA 0.240 56.377 56.100 0.063 0.000 0.985 83 R CB -1.032 29.295 30.300 0.045 0.000 1.166 83 R HN 0.746 nan 8.270 nan 0.000 0.474 84 A N 0.540 123.394 122.820 0.057 0.000 2.567 84 A HA 0.397 4.717 4.320 -0.000 0.000 0.240 84 A C 1.316 178.934 177.584 0.058 0.000 1.053 84 A CA 1.520 53.593 52.037 0.061 0.000 0.755 84 A CB -0.165 18.858 19.000 0.039 0.000 0.978 84 A HN 1.274 nan 8.150 nan 0.000 0.507 85 G N 1.253 110.096 108.800 0.072 0.000 3.511 85 G HA2 0.026 3.986 3.960 -0.000 0.000 0.218 85 G HA3 0.026 3.986 3.960 -0.000 0.000 0.218 85 G C 1.218 176.159 174.900 0.068 0.000 1.001 85 G CA 0.584 45.715 45.100 0.052 0.000 0.877 85 G HN 1.560 nan 8.290 nan 0.000 0.450 86 G N 0.674 109.530 108.800 0.094 0.000 2.440 86 G HA2 -0.087 3.873 3.960 -0.000 0.000 0.218 86 G HA3 -0.087 3.873 3.960 -0.000 0.000 0.218 86 G C 1.620 176.601 174.900 0.135 0.000 1.154 86 G CA 1.795 46.941 45.100 0.078 0.000 0.767 86 G HN 0.418 nan 8.290 nan 0.000 0.552 87 Q N 0.444 120.351 119.800 0.179 0.000 2.084 87 Q HA -0.065 4.275 4.340 -0.000 0.000 0.202 87 Q C 2.807 178.921 176.000 0.190 0.000 0.978 87 Q CA 1.536 57.459 55.803 0.201 0.000 0.844 87 Q CB -0.971 27.867 28.738 0.167 0.000 0.898 87 Q HN 0.457 nan 8.270 nan 0.000 0.426 88 G N 0.785 109.664 108.800 0.132 0.000 2.408 88 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.217 88 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.217 88 G C 1.597 176.566 174.900 0.115 0.000 1.150 88 G CA 0.413 45.576 45.100 0.105 0.000 0.776 88 G HN 0.270 nan 8.290 nan 0.000 0.542 89 I N -0.728 119.910 120.570 0.112 0.000 2.179 89 I HA -0.156 4.014 4.170 -0.000 0.000 0.242 89 I C 2.455 178.657 176.117 0.141 0.000 1.088 89 I CA 1.231 62.596 61.300 0.109 0.000 1.357 89 I CB -0.330 37.718 38.000 0.081 0.000 1.051 89 I HN 0.220 nan 8.210 nan 0.000 0.409 90 Y N 1.894 122.226 120.300 0.054 0.000 2.145 90 Y HA -0.281 4.269 4.550 -0.000 0.000 0.286 90 Y C 2.536 178.476 175.900 0.066 0.000 1.145 90 Y CA 1.410 59.541 58.100 0.053 0.000 1.148 90 Y CB -0.483 38.004 38.460 0.046 0.000 0.981 90 Y HN 0.111 nan 8.280 nan 0.000 0.507 91 A N -0.532 122.322 122.820 0.056 0.000 1.883 91 A HA -0.297 4.023 4.320 -0.000 0.000 0.217 91 A C 2.093 179.644 177.584 -0.055 0.000 1.186 91 A CA 2.200 54.224 52.037 -0.021 0.000 0.624 91 A CB -1.368 17.694 19.000 0.103 0.000 0.822 91 A HN 0.723 nan 8.150 nan 0.000 0.444 92 H N -0.250 118.776 119.070 -0.072 0.000 2.357 92 H HA 0.106 4.662 4.556 -0.000 0.000 0.301 92 H C 2.229 177.481 175.328 -0.127 0.000 1.082 92 H CA 1.720 57.722 56.048 -0.078 0.000 1.342 92 H CB -0.338 29.394 29.762 -0.050 0.000 1.389 92 H HN 0.389 nan 8.280 nan 0.000 0.511 93 A N 0.884 123.609 122.820 -0.157 0.000 1.908 93 A HA -0.245 4.075 4.320 -0.000 0.000 0.218 93 A C 2.315 179.704 177.584 -0.325 0.000 1.181 93 A CA 2.019 53.915 52.037 -0.234 0.000 0.627 93 A CB -0.658 18.260 19.000 -0.136 0.000 0.818 93 A HN 0.527 nan 8.150 nan 0.000 0.445 94 K N -0.394 119.796 120.400 -0.349 0.000 2.097 94 K HA -0.166 4.154 4.320 -0.000 0.000 0.206 94 K C 1.951 178.446 176.600 -0.175 0.000 1.049 94 K CA 1.635 57.780 56.287 -0.237 0.000 0.933 94 K CB -0.153 32.137 32.500 -0.349 0.000 0.717 94 K HN 0.600 nan 8.250 nan 0.000 0.442 95 E N 0.498 120.561 120.200 -0.229 0.000 2.347 95 E HA -0.096 4.254 4.350 -0.000 0.000 0.196 95 E C 1.673 178.101 176.600 -0.286 0.000 1.008 95 E CA 0.930 57.212 56.400 -0.197 0.000 0.852 95 E CB 0.080 29.690 29.700 -0.151 0.000 0.783 95 E HN 0.611 nan 8.360 nan 0.000 0.505 96 I N -4.619 115.704 120.570 -0.412 0.000 4.181 96 I HA 0.375 4.545 4.170 -0.000 0.000 0.331 96 I C 2.061 177.926 176.117 -0.420 0.000 1.312 96 I CA 0.242 61.313 61.300 -0.382 0.000 1.146 96 I CB 0.255 38.006 38.000 -0.415 0.000 1.074 96 I HN -0.091 nan 8.210 nan 0.000 0.402 97 A N 3.008 125.477 122.820 -0.584 0.000 1.958 97 A HA -0.309 4.011 4.320 -0.000 0.000 0.221 97 A C 2.102 179.210 177.584 -0.793 0.000 1.178 97 A CA 2.415 53.997 52.037 -0.758 0.000 0.642 97 A CB -0.983 17.358 19.000 -1.099 0.000 0.816 97 A HN 0.755 nan 8.150 nan 0.000 0.453 98 D N -0.253 119.631 120.400 -0.860 0.000 2.351 98 D HA -0.173 4.467 4.640 -0.000 0.000 0.216 98 D C 1.084 177.251 176.300 -0.222 0.000 0.968 98 D CA 1.079 54.814 54.000 -0.442 0.000 0.899 98 D CB -0.762 39.936 40.800 -0.171 0.000 0.907 98 D HN 0.472 nan 8.370 nan 0.000 0.514 99 N N 0.383 118.948 118.700 -0.226 0.000 2.453 99 N HA -0.040 4.700 4.740 -0.000 0.000 0.183 99 N C 2.016 177.461 175.510 -0.108 0.000 1.041 99 N CA 0.273 53.244 53.050 -0.131 0.000 0.900 99 N CB 0.096 38.511 38.487 -0.119 0.000 0.961 99 N HN 0.382 nan 8.380 nan 0.000 0.443 100 L N 0.837 121.973 121.223 -0.145 0.000 2.156 100 L HA 0.019 4.359 4.340 -0.000 0.000 0.208 100 L C 0.768 177.608 176.870 -0.049 0.000 1.095 100 L CA 0.257 55.038 54.840 -0.099 0.000 0.770 100 L CB -0.258 41.727 42.059 -0.124 0.000 0.914 100 L HN 0.049 nan 8.230 nan 0.000 0.439 101 L N 0.838 122.036 121.223 -0.042 0.000 2.559 101 L HA 0.019 4.359 4.340 -0.000 0.000 0.274 101 L C 1.361 178.238 176.870 0.011 0.000 1.205 101 L CA 0.753 55.598 54.840 0.009 0.000 0.907 101 L CB -0.166 41.911 42.059 0.030 0.000 1.153 101 L HN 0.418 nan 8.230 nan 0.000 0.490 102 G N 1.537 110.352 108.800 0.026 0.000 2.176 102 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.253 102 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.253 102 G C 0.236 175.143 174.900 0.012 0.000 0.979 102 G CA -0.329 44.784 45.100 0.022 0.000 0.641 102 G HN 0.564 nan 8.290 nan 0.000 0.530 103 E N 0.903 121.106 120.200 0.005 0.000 2.319 103 E HA 0.343 4.693 4.350 -0.000 0.000 0.268 103 E C -0.422 176.178 176.600 -0.000 0.000 1.050 103 E CA -0.620 55.779 56.400 -0.002 0.000 0.878 103 E CB 1.061 30.753 29.700 -0.013 0.000 1.066 103 E HN 0.261 nan 8.360 nan 0.000 0.406 104 D N 3.385 123.780 120.400 -0.008 0.000 2.338 104 D HA 0.039 4.679 4.640 -0.000 0.000 0.255 104 D C -1.520 174.759 176.300 -0.034 0.000 1.237 104 D CA -1.835 52.157 54.000 -0.015 0.000 0.883 104 D CB 0.980 41.767 40.800 -0.021 0.000 1.087 104 D HN 0.040 nan 8.370 nan 0.000 0.485 105 P HA -0.123 nan 4.420 nan 0.000 0.226 105 P C 0.336 177.565 177.300 -0.119 0.000 1.146 105 P CA 0.830 63.895 63.100 -0.058 0.000 0.773 105 P CB 0.325 32.008 31.700 -0.027 0.000 0.772 106 N N -0.197 118.429 118.700 -0.123 0.000 2.409 106 N HA -0.044 4.696 4.740 -0.000 0.000 0.179 106 N C 0.226 175.631 175.510 -0.176 0.000 1.032 106 N CA 0.480 53.425 53.050 -0.175 0.000 0.898 106 N CB -0.284 38.114 38.487 -0.148 0.000 0.971 106 N HN 0.034 nan 8.380 nan 0.000 0.441 107 D N 0.745 121.075 120.400 -0.117 0.000 2.845 107 D HA 0.132 4.772 4.640 -0.000 0.000 0.235 107 D C 1.090 177.339 176.300 -0.085 0.000 1.158 107 D CA -0.022 53.924 54.000 -0.089 0.000 0.990 107 D CB -0.085 40.688 40.800 -0.046 0.000 1.094 107 D HN 0.280 nan 8.370 nan 0.000 0.486 108 I N -0.201 120.275 120.570 -0.156 0.000 2.151 108 I HA -0.261 3.909 4.170 -0.000 0.000 0.243 108 I C 2.038 178.170 176.117 0.025 0.000 1.080 108 I CA 1.152 62.374 61.300 -0.131 0.000 1.339 108 I CB 0.065 37.849 38.000 -0.360 0.000 1.039 108 I HN 0.163 nan 8.210 nan 0.000 0.409 109 D N 0.741 121.151 120.400 0.018 0.000 2.149 109 D HA -0.186 4.453 4.640 -0.000 0.000 0.201 109 D C 2.164 178.520 176.300 0.093 0.000 0.972 109 D CA 1.024 55.065 54.000 0.068 0.000 0.835 109 D CB 0.138 40.951 40.800 0.020 0.000 0.966 109 D HN 0.276 nan 8.370 nan 0.000 0.476 110 K N 0.694 121.126 120.400 0.053 0.000 2.057 110 K HA -0.115 4.205 4.320 -0.000 0.000 0.207 110 K C 2.324 178.973 176.600 0.083 0.000 1.049 110 K CA 0.739 57.063 56.287 0.062 0.000 0.931 110 K CB -0.021 32.495 32.500 0.028 0.000 0.714 110 K HN 0.104 nan 8.250 nan 0.000 0.440 111 I N 0.053 120.660 120.570 0.062 0.000 2.252 111 I HA -0.282 3.888 4.170 -0.000 0.000 0.245 111 I C 2.142 178.304 176.117 0.076 0.000 1.102 111 I CA 1.165 62.492 61.300 0.044 0.000 1.385 111 I CB -0.283 37.718 38.000 0.002 0.000 1.064 111 I HN 0.241 nan 8.210 nan 0.000 0.414 112 Y N 1.522 121.826 120.300 0.007 0.000 2.128 112 Y HA -0.345 4.205 4.550 -0.000 0.000 0.284 112 Y C 2.792 178.700 175.900 0.012 0.000 1.154 112 Y CA 2.302 60.411 58.100 0.014 0.000 1.149 112 Y CB -0.251 38.225 38.460 0.026 0.000 0.976 112 Y HN 0.091 nan 8.280 nan 0.000 0.505 113 T N 0.059 114.772 114.554 0.265 0.000 2.788 113 T HA -0.227 4.123 4.350 -0.000 0.000 0.268 113 T C 1.841 176.670 174.700 0.215 0.000 1.044 113 T CA 1.690 63.904 62.100 0.191 0.000 1.139 113 T CB -0.248 68.735 68.868 0.192 0.000 0.867 113 T HN 0.284 nan 8.240 nan 0.000 0.454 114 K N 0.742 121.258 120.400 0.193 0.000 2.057 114 K HA 0.003 4.323 4.320 -0.000 0.000 0.207 114 K C 2.184 178.860 176.600 0.125 0.000 1.049 114 K CA 0.993 57.393 56.287 0.188 0.000 0.931 114 K CB -0.237 32.319 32.500 0.092 0.000 0.714 114 K HN 0.303 nan 8.250 nan 0.000 0.440 115 L N 0.870 122.109 121.223 0.027 0.000 2.093 115 L HA -0.163 4.177 4.340 -0.000 0.000 0.208 115 L C 2.371 179.232 176.870 -0.015 0.000 1.085 115 L CA 0.825 55.635 54.840 -0.050 0.000 0.755 115 L CB -0.333 41.622 42.059 -0.173 0.000 0.904 115 L HN 0.225 nan 8.230 nan 0.000 0.435 116 L N -1.774 119.439 121.223 -0.016 0.000 2.056 116 L HA -0.202 4.138 4.340 -0.000 0.000 0.207 116 L C 2.399 179.221 176.870 -0.080 0.000 1.078 116 L CA 1.592 56.392 54.840 -0.066 0.000 0.749 116 L CB -0.462 41.521 42.059 -0.126 0.000 0.901 116 L HN 0.327 nan 8.230 nan 0.000 0.433 117 W N -0.418 120.904 121.300 0.036 0.000 2.388 117 W HA -0.150 4.510 4.660 -0.000 0.000 0.294 117 W C 2.638 179.166 176.519 0.015 0.000 1.212 117 W CA 0.774 58.134 57.345 0.025 0.000 1.271 117 W CB -0.165 29.305 29.460 0.017 0.000 1.126 117 W HN 0.081 nan 8.180 nan 0.000 0.535 118 A N -0.258 122.696 122.820 0.224 0.000 2.070 118 A HA 0.010 4.330 4.320 -0.000 0.000 0.220 118 A C 1.835 179.481 177.584 0.104 0.000 1.159 118 A CA 1.624 53.731 52.037 0.116 0.000 0.656 118 A CB -0.942 18.073 19.000 0.026 0.000 0.800 118 A HN 0.256 nan 8.150 nan 0.000 0.453 119 G N -1.943 106.931 108.800 0.124 0.000 4.432 119 G HA2 0.434 4.394 3.960 -0.000 0.000 0.294 119 G HA3 0.434 4.394 3.960 -0.000 0.000 0.294 119 G C 0.923 175.877 174.900 0.090 0.000 1.141 119 G CA 0.762 45.963 45.100 0.170 0.000 0.895 119 G HN 0.530 nan 8.290 nan 0.000 0.548 120 A N 0.434 123.307 122.820 0.089 0.000 1.948 120 A HA -0.093 4.227 4.320 -0.000 0.000 0.220 120 A C 2.527 180.122 177.584 0.017 0.000 1.177 120 A CA 2.311 54.364 52.037 0.026 0.000 0.636 120 A CB -0.444 18.641 19.000 0.141 0.000 0.815 120 A HN 0.476 nan 8.150 nan 0.000 0.449 121 S N -0.705 115.023 115.700 0.047 0.000 2.419 121 S HA -0.104 4.366 4.470 -0.000 0.000 0.235 121 S C 1.465 176.060 174.600 -0.009 0.000 1.019 121 S CA 1.559 59.776 58.200 0.027 0.000 0.982 121 S CB -0.500 62.724 63.200 0.040 0.000 0.789 121 S HN 0.904 nan 8.310 nan 0.000 0.490 122 V N -1.316 118.578 119.914 -0.034 0.000 3.342 122 V HA 0.648 4.768 4.120 -0.000 0.000 0.322 122 V C 0.821 176.858 176.094 -0.094 0.000 1.370 122 V CA -0.054 62.193 62.300 -0.089 0.000 1.170 122 V CB -1.098 30.611 31.823 -0.190 0.000 1.101 122 V HN 0.505 nan 8.190 nan 0.000 0.442 123 G N 1.534 110.293 108.800 -0.067 0.000 2.728 123 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.294 123 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.294 123 G C -0.083 174.781 174.900 -0.059 0.000 1.342 123 G CA -0.093 44.970 45.100 -0.062 0.000 0.866 123 G HN 0.457 nan 8.290 nan 0.000 0.534 124 R N 0.087 120.564 120.500 -0.037 0.000 2.629 124 R HA 0.482 4.822 4.340 -0.000 0.000 0.386 124 R C 0.552 176.873 176.300 0.034 0.000 1.071 124 R CA 0.506 56.602 56.100 -0.007 0.000 1.104 124 R CB 0.655 30.938 30.300 -0.028 0.000 1.370 124 R HN 1.060 nan 8.270 nan 0.000 0.574 125 S N -1.770 113.943 115.700 0.022 0.000 2.656 125 S HA 0.792 5.262 4.470 -0.000 0.000 0.273 125 S C 0.325 174.935 174.600 0.018 0.000 1.168 125 S CA -0.273 57.952 58.200 0.041 0.000 0.817 125 S CB 1.995 65.219 63.200 0.040 0.000 1.146 125 S HN 0.303 nan 8.310 nan 0.000 0.475 126 G N 1.286 110.103 108.800 0.029 0.000 2.562 126 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.250 126 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.250 126 G C 0.679 175.575 174.900 -0.006 0.000 1.269 126 G CA 0.429 45.534 45.100 0.008 0.000 0.919 126 G HN 1.455 nan 8.290 nan 0.000 0.574 127 M N 0.102 119.685 119.600 -0.030 0.000 2.089 127 M HA -0.124 4.356 4.480 -0.000 0.000 0.257 127 M C 2.847 179.112 176.300 -0.058 0.000 1.071 127 M CA 3.558 58.834 55.300 -0.039 0.000 1.096 127 M CB -0.615 31.955 32.600 -0.049 0.000 1.330 127 M HN 1.340 nan 8.290 nan 0.000 0.403 128 A N -0.396 122.345 122.820 -0.133 0.000 1.908 128 A HA -0.173 4.147 4.320 -0.000 0.000 0.218 128 A C 2.033 179.613 177.584 -0.006 0.000 1.181 128 A CA 2.237 54.159 52.037 -0.192 0.000 0.627 128 A CB -1.421 17.401 19.000 -0.295 0.000 0.818 128 A HN 0.650 nan 8.150 nan 0.000 0.445 129 V N -2.948 116.976 119.914 0.017 0.000 2.871 129 V HA -0.155 3.965 4.120 -0.000 0.000 0.256 129 V C 1.900 178.035 176.094 0.068 0.000 1.082 129 V CA 1.927 64.270 62.300 0.072 0.000 1.105 129 V CB -0.936 30.983 31.823 0.160 0.000 0.713 129 V HN 0.586 nan 8.190 nan 0.000 0.473 130 Q N 0.510 120.338 119.800 0.046 0.000 2.369 130 Q HA 0.150 4.489 4.340 -0.000 0.000 0.206 130 Q C 2.270 178.292 176.000 0.038 0.000 0.963 130 Q CA 1.260 57.085 55.803 0.036 0.000 0.894 130 Q CB -0.143 28.596 28.738 0.001 0.000 0.965 130 Q HN 0.806 nan 8.270 nan 0.000 0.475 131 A N 0.091 122.940 122.820 0.048 0.000 2.072 131 A HA 0.010 4.330 4.320 -0.000 0.000 0.216 131 A C 1.773 179.356 177.584 -0.003 0.000 1.156 131 A CA 0.443 52.515 52.037 0.058 0.000 0.701 131 A CB -0.036 19.056 19.000 0.153 0.000 0.816 131 A HN 0.258 nan 8.150 nan 0.000 0.458 132 I N -0.660 119.885 120.570 -0.041 0.000 2.852 132 I HA -0.111 4.058 4.170 -0.000 0.000 0.264 132 I C 2.357 178.424 176.117 -0.082 0.000 1.179 132 I CA 0.572 61.773 61.300 -0.166 0.000 1.480 132 I CB -0.077 37.665 38.000 -0.431 0.000 1.111 132 I HN 0.174 nan 8.210 nan 0.000 0.441 133 S N 1.658 117.367 115.700 0.015 0.000 2.368 133 S HA -0.151 4.319 4.470 -0.000 0.000 0.226 133 S C -0.402 174.223 174.600 0.043 0.000 1.044 133 S CA 1.825 60.064 58.200 0.066 0.000 1.062 133 S CB -1.430 61.808 63.200 0.063 0.000 0.931 133 S HN 0.307 nan 8.310 nan 0.000 0.440 134 P HA -0.059 nan 4.420 nan 0.000 0.215 134 P C 1.310 178.644 177.300 0.057 0.000 1.153 134 P CA 1.002 64.141 63.100 0.064 0.000 0.853 134 P CB -0.117 31.643 31.700 0.101 0.000 0.788 135 I N -0.519 120.062 120.570 0.019 0.000 2.163 135 I HA -0.246 3.924 4.170 -0.000 0.000 0.240 135 I C 2.235 178.377 176.117 0.041 0.000 1.081 135 I CA 1.859 63.159 61.300 -0.001 0.000 1.353 135 I CB -0.801 37.155 38.000 -0.074 0.000 1.054 135 I HN -0.042 nan 8.210 nan 0.000 0.407 136 D N 1.328 121.770 120.400 0.070 0.000 2.104 136 D HA -0.197 4.443 4.640 -0.000 0.000 0.194 136 D C 2.159 178.635 176.300 0.293 0.000 0.994 136 D CA 1.512 55.638 54.000 0.209 0.000 0.830 136 D CB -0.019 40.992 40.800 0.351 0.000 0.959 136 D HN 0.286 nan 8.370 nan 0.000 0.452 137 I N 0.338 121.028 120.570 0.200 0.000 2.252 137 I HA -0.213 3.957 4.170 -0.000 0.000 0.245 137 I C 2.489 178.708 176.117 0.170 0.000 1.102 137 I CA 0.955 62.355 61.300 0.167 0.000 1.385 137 I CB -0.357 37.642 38.000 -0.001 0.000 1.064 137 I HN 0.090 nan 8.210 nan 0.000 0.414 138 A N 0.993 123.890 122.820 0.128 0.000 1.933 138 A HA -0.156 4.164 4.320 -0.000 0.000 0.218 138 A C 2.292 179.938 177.584 0.103 0.000 1.175 138 A CA 1.383 53.493 52.037 0.122 0.000 0.628 138 A CB -0.793 18.272 19.000 0.107 0.000 0.814 138 A HN 0.387 nan 8.150 nan 0.000 0.444 139 L N -2.864 118.401 121.223 0.071 0.000 2.093 139 L HA -0.196 4.144 4.340 -0.000 0.000 0.208 139 L C 2.561 179.390 176.870 -0.068 0.000 1.085 139 L CA 1.164 55.988 54.840 -0.026 0.000 0.755 139 L CB -0.471 41.530 42.059 -0.096 0.000 0.904 139 L HN 0.596 nan 8.230 nan 0.000 0.435 140 W N 0.647 121.947 121.300 -0.001 0.000 2.388 140 W HA -0.197 4.463 4.660 -0.000 0.000 0.294 140 W C 2.388 178.883 176.519 -0.040 0.000 1.212 140 W CA 1.380 58.711 57.345 -0.024 0.000 1.271 140 W CB -0.264 29.178 29.460 -0.030 0.000 1.126 140 W HN 0.233 nan 8.180 nan 0.000 0.535 141 D N -0.034 120.486 120.400 0.200 0.000 2.123 141 D HA -0.276 4.364 4.640 -0.000 0.000 0.196 141 D C 2.153 178.506 176.300 0.088 0.000 0.992 141 D CA 1.977 56.046 54.000 0.115 0.000 0.833 141 D CB -0.390 40.481 40.800 0.119 0.000 0.954 141 D HN 0.058 nan 8.370 nan 0.000 0.455 142 M N -0.149 119.494 119.600 0.073 0.000 2.086 142 M HA -0.176 4.304 4.480 -0.000 0.000 0.261 142 M C 2.171 178.437 176.300 -0.055 0.000 1.067 142 M CA 1.530 56.857 55.300 0.045 0.000 1.116 142 M CB -0.112 32.514 32.600 0.043 0.000 1.348 142 M HN -0.064 nan 8.290 nan 0.000 0.407 143 K N 0.101 120.442 120.400 -0.098 0.000 2.057 143 K HA -0.150 4.170 4.320 -0.000 0.000 0.207 143 K C 1.796 178.333 176.600 -0.104 0.000 1.049 143 K CA 1.522 57.711 56.287 -0.163 0.000 0.931 143 K CB -0.211 32.156 32.500 -0.220 0.000 0.714 143 K HN 0.440 nan 8.250 nan 0.000 0.440 144 A N 1.412 124.224 122.820 -0.015 0.000 1.877 144 A HA -0.200 4.120 4.320 -0.000 0.000 0.216 144 A C 1.935 179.485 177.584 -0.056 0.000 1.186 144 A CA 1.856 53.883 52.037 -0.017 0.000 0.620 144 A CB -0.420 18.583 19.000 0.006 0.000 0.822 144 A HN 0.328 nan 8.150 nan 0.000 0.443 145 K N -0.874 119.529 120.400 0.005 0.000 2.057 145 K HA -0.153 4.167 4.320 -0.000 0.000 0.207 145 K C 2.344 178.963 176.600 0.032 0.000 1.049 145 K CA 1.445 57.783 56.287 0.084 0.000 0.931 145 K CB -0.190 32.426 32.500 0.193 0.000 0.714 145 K HN 0.480 nan 8.250 nan 0.000 0.440 146 R N 0.686 121.094 120.500 -0.153 0.000 2.127 146 R HA -0.128 4.212 4.340 -0.000 0.000 0.238 146 R C 1.743 177.926 176.300 -0.194 0.000 1.134 146 R CA 1.542 57.384 56.100 -0.430 0.000 0.975 146 R CB -0.105 29.736 30.300 -0.766 0.000 0.865 146 R HN 0.184 nan 8.270 nan 0.000 0.447 147 A N -0.334 122.391 122.820 -0.158 0.000 2.251 147 A HA 0.230 4.550 4.320 -0.000 0.000 0.209 147 A C 1.127 178.612 177.584 -0.165 0.000 1.187 147 A CA 0.579 52.540 52.037 -0.127 0.000 0.823 147 A CB 0.007 18.942 19.000 -0.107 0.000 0.846 147 A HN 0.525 nan 8.150 nan 0.000 0.486 148 G N -0.593 108.055 108.800 -0.254 0.000 2.272 148 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.280 148 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.280 148 G C -0.231 174.157 174.900 -0.854 0.000 1.067 148 G CA 0.663 45.387 45.100 -0.626 0.000 0.902 148 G HN 0.566 nan 8.290 nan 0.000 0.500 149 L N -1.235 119.646 121.223 -0.569 0.000 2.393 149 L HA 0.545 4.885 4.340 -0.000 0.000 0.260 149 L C -2.410 174.404 176.870 -0.094 0.000 1.002 149 L CA -2.692 51.991 54.840 -0.262 0.000 0.818 149 L CB 2.556 44.542 42.059 -0.121 0.000 1.369 149 L HN -0.155 nan 8.230 nan 0.000 0.412 150 P HA 0.052 nan 4.420 nan 0.000 0.272 150 P C 0.441 177.719 177.300 -0.037 0.000 1.223 150 P CA -0.411 62.727 63.100 0.062 0.000 0.784 150 P CB 0.739 32.535 31.700 0.160 0.000 0.923 151 L N 3.840 124.906 121.223 -0.261 0.000 2.043 151 L HA -0.257 4.083 4.340 -0.000 0.000 0.212 151 L C 2.096 178.936 176.870 -0.051 0.000 1.075 151 L CA 2.489 57.176 54.840 -0.255 0.000 0.752 151 L CB -1.616 40.106 42.059 -0.562 0.000 0.891 151 L HN 0.430 nan 8.230 nan 0.000 0.432 152 A N -0.916 122.001 122.820 0.163 0.000 1.948 152 A HA -0.225 4.095 4.320 -0.000 0.000 0.220 152 A C 2.249 179.879 177.584 0.076 0.000 1.177 152 A CA 1.911 54.058 52.037 0.183 0.000 0.636 152 A CB -0.511 18.637 19.000 0.247 0.000 0.815 152 A HN 0.436 nan 8.150 nan 0.000 0.449 153 K N -0.854 119.583 120.400 0.062 0.000 2.167 153 K HA -0.001 4.319 4.320 -0.000 0.000 0.203 153 K C 1.869 178.476 176.600 0.012 0.000 1.052 153 K CA 1.007 57.309 56.287 0.025 0.000 0.956 153 K CB -0.661 31.851 32.500 0.020 0.000 0.735 153 K HN 0.491 nan 8.250 nan 0.000 0.451 154 L N 1.175 122.409 121.223 0.019 0.000 2.056 154 L HA -0.086 4.254 4.340 -0.000 0.000 0.207 154 L C 1.937 178.846 176.870 0.065 0.000 1.078 154 L CA 1.479 56.343 54.840 0.040 0.000 0.749 154 L CB -0.422 41.681 42.059 0.074 0.000 0.901 154 L HN 0.026 nan 8.230 nan 0.000 0.433 155 L N -0.089 121.163 121.223 0.048 0.000 2.156 155 L HA 0.206 4.546 4.340 -0.000 0.000 0.208 155 L C 0.906 177.784 176.870 0.012 0.000 1.095 155 L CA 0.464 55.320 54.840 0.027 0.000 0.770 155 L CB -0.932 41.110 42.059 -0.029 0.000 0.914 155 L HN 0.521 nan 8.230 nan 0.000 0.439 156 G N 0.149 108.946 108.800 -0.005 0.000 3.434 156 G HA2 0.149 4.109 3.960 -0.000 0.000 0.686 156 G HA3 0.149 4.109 3.960 -0.000 0.000 0.686 156 G C -0.641 174.212 174.900 -0.079 0.000 1.099 156 G CA -0.553 44.516 45.100 -0.053 0.000 0.931 156 G HN 0.383 nan 8.290 nan 0.000 0.520 157 A N 2.859 125.625 122.820 -0.091 0.000 2.306 157 A HA 0.874 5.194 4.320 -0.000 0.000 0.330 157 A C 0.669 178.143 177.584 -0.184 0.000 1.146 157 A CA -0.463 51.533 52.037 -0.069 0.000 0.827 157 A CB 0.939 19.935 19.000 -0.007 0.000 1.178 157 A HN 0.910 nan 8.150 nan 0.000 0.490 158 H N 0.458 119.528 119.070 -0.000 0.000 2.874 158 H HA 0.160 4.716 4.556 -0.000 0.000 0.264 158 H C 0.166 175.479 175.328 -0.025 0.000 1.007 158 H CA 0.808 56.847 56.048 -0.014 0.000 1.207 158 H CB 0.536 30.287 29.762 -0.019 0.000 1.487 158 H HN 0.758 nan 8.280 nan 0.000 0.505 159 R N -0.284 120.253 120.500 0.061 0.000 2.692 159 R HA 0.218 4.558 4.340 -0.000 0.000 0.269 159 R C -1.258 175.015 176.300 -0.046 0.000 1.030 159 R CA -0.632 55.461 56.100 -0.013 0.000 0.882 159 R CB 1.063 31.333 30.300 -0.051 0.000 1.250 159 R HN -0.260 nan 8.270 nan 0.000 0.465 160 D N 0.648 120.997 120.400 -0.084 0.000 2.349 160 D HA 0.092 4.732 4.640 -0.000 0.000 0.214 160 D C -0.238 175.941 176.300 -0.201 0.000 1.063 160 D CA 0.596 54.561 54.000 -0.059 0.000 0.847 160 D CB 0.707 41.544 40.800 0.060 0.000 0.933 160 D HN 0.588 nan 8.370 nan 0.000 0.513 161 S N -0.573 114.887 115.700 -0.399 0.000 2.567 161 S HA 0.561 5.031 4.470 -0.000 0.000 0.270 161 S C -0.876 173.457 174.600 -0.445 0.000 1.152 161 S CA -0.943 56.879 58.200 -0.631 0.000 0.835 161 S CB 2.230 64.464 63.200 -1.611 0.000 1.115 161 S HN -0.021 nan 8.310 nan 0.000 0.459 162 V N -0.621 119.074 119.914 -0.365 0.000 2.789 162 V HA 0.635 4.754 4.120 -0.000 0.000 0.311 162 V C -0.573 175.359 176.094 -0.271 0.000 1.073 162 V CA -0.918 61.223 62.300 -0.264 0.000 0.921 162 V CB 1.453 33.196 31.823 -0.133 0.000 1.009 162 V HN 1.053 nan 8.190 nan 0.000 0.426 163 Q N 2.076 121.647 119.800 -0.381 0.000 2.310 163 Q HA 0.259 4.599 4.340 -0.000 0.000 0.315 163 Q C -0.268 175.625 176.000 -0.178 0.000 1.081 163 Q CA 0.614 56.107 55.803 -0.518 0.000 0.981 163 Q CB 0.839 28.795 28.738 -1.303 0.000 1.184 163 Q HN 0.905 nan 8.270 nan 0.000 0.389 164 C N 4.154 123.488 119.300 0.057 0.000 2.482 164 C HA 0.705 5.165 4.460 -0.000 0.000 0.317 164 C C -1.411 173.829 174.990 0.416 0.000 1.197 164 C CA -0.662 58.509 59.018 0.255 0.000 1.432 164 C CB 0.224 28.025 27.740 0.100 0.000 2.062 164 C HN 0.842 nan 8.230 nan 0.000 0.471 165 Y N 4.503 125.011 120.300 0.346 0.000 2.524 165 Y HA 0.602 5.152 4.550 -0.000 0.000 0.344 165 Y C -0.463 175.491 175.900 0.091 0.000 1.012 165 Y CA -1.049 57.139 58.100 0.147 0.000 1.068 165 Y CB 0.818 39.207 38.460 -0.118 0.000 1.249 165 Y HN 0.731 nan 8.280 nan 0.000 0.468 166 N N 1.007 119.758 118.700 0.085 0.000 2.473 166 N HA 0.293 5.033 4.740 -0.000 0.000 0.291 166 N C -0.601 174.897 175.510 -0.021 0.000 1.083 166 N CA -0.110 52.933 53.050 -0.011 0.000 0.951 166 N CB 2.081 40.585 38.487 0.028 0.000 1.164 166 N HN 0.977 nan 8.380 nan 0.000 0.480 167 T N 0.224 114.612 114.554 -0.277 0.000 3.019 167 T HA -0.037 4.313 4.350 -0.000 0.000 0.247 167 T C 1.795 176.278 174.700 -0.360 0.000 0.992 167 T CA 0.565 62.459 62.100 -0.344 0.000 1.036 167 T CB -0.188 68.400 68.868 -0.466 0.000 1.063 167 T HN 0.715 nan 8.240 nan 0.000 0.476 168 S N 1.484 116.868 115.700 -0.528 0.000 2.440 168 S HA -0.007 4.463 4.470 -0.000 0.000 0.238 168 S C 2.012 176.747 174.600 0.226 0.000 1.010 168 S CA 1.161 59.320 58.200 -0.068 0.000 0.972 168 S CB -0.655 62.437 63.200 -0.180 0.000 0.774 168 S HN 0.480 nan 8.310 nan 0.000 0.501 169 G N 0.073 108.927 108.800 0.090 0.000 3.284 169 G HA2 0.472 4.431 3.960 -0.000 0.000 0.236 169 G HA3 0.472 4.431 3.960 -0.000 0.000 0.236 169 G C 0.637 175.564 174.900 0.046 0.000 1.158 169 G CA 0.059 45.215 45.100 0.094 0.000 0.774 169 G HN 0.635 nan 8.290 nan 0.000 0.545 170 G N 0.043 108.852 108.800 0.016 0.000 3.993 170 G HA2 0.425 4.385 3.960 -0.000 0.000 0.294 170 G HA3 0.425 4.385 3.960 -0.000 0.000 0.294 170 G C -0.318 174.487 174.900 -0.160 0.000 1.043 170 G CA -0.549 44.496 45.100 -0.092 0.000 0.839 170 G HN 0.153 nan 8.290 nan 0.000 0.516 171 F N -0.030 119.856 119.950 -0.107 0.000 2.406 171 F HA 0.324 4.851 4.527 -0.000 0.000 0.327 171 F C 1.670 177.360 175.800 -0.183 0.000 1.153 171 F CA -0.434 57.505 58.000 -0.101 0.000 1.218 171 F CB 1.351 40.340 39.000 -0.020 0.000 1.215 171 F HN -0.119 nan 8.300 nan 0.000 0.570 172 L N 1.089 122.381 121.223 0.115 0.000 2.465 172 L HA -0.171 4.169 4.340 -0.000 0.000 0.224 172 L C 1.774 178.690 176.870 0.076 0.000 1.145 172 L CA 0.710 55.587 54.840 0.061 0.000 0.834 172 L CB -0.702 41.406 42.059 0.082 0.000 0.944 172 L HN 0.732 nan 8.230 nan 0.000 0.451 173 H N -3.530 115.633 119.070 0.155 0.000 2.548 173 H HA 0.113 4.669 4.556 -0.000 0.000 0.265 173 H C 0.365 175.743 175.328 0.085 0.000 0.969 173 H CA -0.037 56.070 56.048 0.098 0.000 1.155 173 H CB -0.586 29.224 29.762 0.080 0.000 1.394 173 H HN -0.061 nan 8.280 nan 0.000 0.570 174 T N 3.450 117.833 114.554 -0.285 0.000 2.743 174 T HA 0.256 4.606 4.350 -0.000 0.000 0.293 174 T C -2.467 172.204 174.700 -0.048 0.000 0.945 174 T CA -1.455 60.552 62.100 -0.156 0.000 1.030 174 T CB 1.432 70.178 68.868 -0.204 0.000 0.912 174 T HN 0.174 nan 8.240 nan 0.000 0.483 175 P HA 0.076 nan 4.420 nan 0.000 0.269 175 P C 1.019 178.312 177.300 -0.011 0.000 1.209 175 P CA -0.553 62.548 63.100 0.001 0.000 0.776 175 P CB 0.498 32.206 31.700 0.014 0.000 0.876 176 L N 3.258 124.473 121.223 -0.013 0.000 2.051 176 L HA -0.250 4.090 4.340 -0.000 0.000 0.214 176 L C 1.839 178.699 176.870 -0.018 0.000 1.076 176 L CA 2.039 56.866 54.840 -0.021 0.000 0.758 176 L CB -1.189 40.858 42.059 -0.019 0.000 0.890 176 L HN 0.492 nan 8.230 nan 0.000 0.433 177 D N -1.239 119.156 120.400 -0.009 0.000 2.106 177 D HA -0.307 4.333 4.640 -0.000 0.000 0.191 177 D C 1.992 178.289 176.300 -0.006 0.000 0.997 177 D CA 1.804 55.800 54.000 -0.006 0.000 0.834 177 D CB 0.071 40.871 40.800 0.000 0.000 0.956 177 D HN 0.539 nan 8.370 nan 0.000 0.448 178 Q N 0.399 120.199 119.800 -0.001 0.000 2.167 178 Q HA -0.066 4.274 4.340 -0.000 0.000 0.202 178 Q C 2.215 178.212 176.000 -0.004 0.000 0.970 178 Q CA 1.016 56.821 55.803 0.004 0.000 0.855 178 Q CB -0.290 28.457 28.738 0.015 0.000 0.911 178 Q HN 0.202 nan 8.270 nan 0.000 0.438 179 V N 0.416 120.320 119.914 -0.017 0.000 2.343 179 V HA -0.254 3.866 4.120 -0.000 0.000 0.247 179 V C 2.242 178.318 176.094 -0.030 0.000 1.051 179 V CA 1.694 63.978 62.300 -0.026 0.000 1.036 179 V CB -0.572 31.225 31.823 -0.044 0.000 0.654 179 V HN 0.381 nan 8.190 nan 0.000 0.451 180 L N -0.647 120.557 121.223 -0.031 0.000 2.131 180 L HA -0.179 4.161 4.340 -0.000 0.000 0.210 180 L C 2.556 179.407 176.870 -0.032 0.000 1.092 180 L CA 1.569 56.387 54.840 -0.036 0.000 0.759 180 L CB -0.576 41.464 42.059 -0.032 0.000 0.903 180 L HN 0.294 nan 8.230 nan 0.000 0.435 181 K N -0.197 120.192 120.400 -0.019 0.000 2.097 181 K HA -0.104 4.216 4.320 -0.000 0.000 0.205 181 K C 1.913 178.507 176.600 -0.011 0.000 1.050 181 K CA 1.107 57.387 56.287 -0.013 0.000 0.938 181 K CB -0.115 32.385 32.500 -0.000 0.000 0.718 181 K HN 0.282 nan 8.250 nan 0.000 0.442 182 N N 0.736 119.433 118.700 -0.005 0.000 2.120 182 N HA -0.131 4.609 4.740 -0.000 0.000 0.188 182 N C 1.877 177.378 175.510 -0.015 0.000 1.024 182 N CA 0.950 54.002 53.050 0.004 0.000 0.852 182 N CB -0.455 38.042 38.487 0.017 0.000 1.003 182 N HN -0.065 nan 8.380 nan 0.000 0.424 183 V N 1.055 120.948 119.914 -0.035 0.000 2.324 183 V HA -0.195 3.925 4.120 -0.000 0.000 0.250 183 V C 2.445 178.485 176.094 -0.089 0.000 1.060 183 V CA 1.269 63.531 62.300 -0.063 0.000 1.042 183 V CB -0.524 31.248 31.823 -0.084 0.000 0.650 183 V HN 0.072 nan 8.190 nan 0.000 0.450 184 V N -0.280 119.590 119.914 -0.074 0.000 2.307 184 V HA -0.243 3.877 4.120 -0.000 0.000 0.245 184 V C 2.175 178.238 176.094 -0.052 0.000 1.045 184 V CA 2.185 64.439 62.300 -0.075 0.000 1.024 184 V CB -0.481 31.310 31.823 -0.054 0.000 0.651 184 V HN 0.434 nan 8.190 nan 0.000 0.449 185 I N 0.085 120.639 120.570 -0.027 0.000 2.163 185 I HA -0.260 3.910 4.170 -0.000 0.000 0.243 185 I C 2.596 178.704 176.117 -0.014 0.000 1.085 185 I CA 1.815 63.109 61.300 -0.010 0.000 1.347 185 I CB -0.483 37.523 38.000 0.010 0.000 1.044 185 I HN 0.269 nan 8.210 nan 0.000 0.408 186 S N 0.105 115.794 115.700 -0.018 0.000 2.356 186 S HA -0.195 4.275 4.470 -0.000 0.000 0.223 186 S C 2.081 176.674 174.600 -0.012 0.000 1.032 186 S CA 1.227 59.415 58.200 -0.020 0.000 1.005 186 S CB -0.333 62.864 63.200 -0.006 0.000 0.867 186 S HN 0.338 nan 8.310 nan 0.000 0.449 187 R N 1.106 121.576 120.500 -0.051 0.000 2.081 187 R HA -0.069 4.271 4.340 -0.000 0.000 0.235 187 R C 1.809 178.090 176.300 -0.032 0.000 1.131 187 R CA 1.220 57.270 56.100 -0.084 0.000 0.960 187 R CB -0.079 30.060 30.300 -0.269 0.000 0.856 187 R HN 0.211 nan 8.270 nan 0.000 0.436 188 E N 0.162 120.341 120.200 -0.035 0.000 2.338 188 E HA -0.096 4.253 4.350 -0.000 0.000 0.197 188 E C 0.744 177.348 176.600 0.006 0.000 1.007 188 E CA 0.635 57.027 56.400 -0.013 0.000 0.849 188 E CB -0.123 29.567 29.700 -0.016 0.000 0.774 188 E HN 0.364 nan 8.360 nan 0.000 0.506 189 N N -0.100 118.604 118.700 0.007 0.000 2.314 189 N HA 0.035 4.775 4.740 -0.000 0.000 0.200 189 N C 0.659 176.186 175.510 0.028 0.000 1.135 189 N CA 0.681 53.738 53.050 0.012 0.000 0.835 189 N CB 1.101 39.585 38.487 -0.005 0.000 0.989 189 N HN 0.210 nan 8.380 nan 0.000 0.478 190 G N 1.440 110.272 108.800 0.052 0.000 2.132 190 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.234 190 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.234 190 G C 0.170 175.142 174.900 0.120 0.000 0.989 190 G CA -0.214 44.941 45.100 0.092 0.000 0.676 190 G HN 0.323 nan 8.290 nan 0.000 0.522 191 I N 1.232 121.872 120.570 0.118 0.000 2.813 191 I HA 0.505 4.675 4.170 -0.000 0.000 0.287 191 I C 1.568 177.864 176.117 0.298 0.000 1.196 191 I CA 1.117 62.510 61.300 0.155 0.000 1.421 191 I CB 1.168 39.246 38.000 0.131 0.000 1.365 191 I HN 0.173 nan 8.210 nan 0.000 0.591 192 G N 4.576 113.513 108.800 0.229 0.000 3.126 192 G HA2 0.552 4.512 3.960 -0.000 0.000 0.224 192 G HA3 0.552 4.512 3.960 -0.000 0.000 0.224 192 G C 0.293 175.174 174.900 -0.032 0.000 1.142 192 G CA 0.453 45.632 45.100 0.131 0.000 0.759 192 G HN 1.058 nan 8.290 nan 0.000 0.550 193 G N -0.470 108.399 108.800 0.116 0.000 2.489 193 G HA2 0.443 4.403 3.960 -0.000 0.000 0.291 193 G HA3 0.443 4.403 3.960 -0.000 0.000 0.291 193 G C -1.989 173.010 174.900 0.164 0.000 1.487 193 G CA -0.674 44.389 45.100 -0.062 0.000 0.795 193 G HN 0.004 nan 8.290 nan 0.000 0.513 194 I N 0.613 121.204 120.570 0.035 0.000 2.498 194 I HA 0.503 4.673 4.170 -0.000 0.000 0.290 194 I C -0.321 175.685 176.117 -0.185 0.000 1.032 194 I CA -0.884 60.429 61.300 0.021 0.000 1.073 194 I CB 1.956 39.993 38.000 0.062 0.000 1.251 194 I HN 0.515 nan 8.210 nan 0.000 0.426 195 K N 5.877 126.201 120.400 -0.127 0.000 2.292 195 K HA 0.562 4.882 4.320 -0.000 0.000 0.257 195 K C -1.691 174.787 176.600 -0.203 0.000 0.940 195 K CA -0.660 55.471 56.287 -0.260 0.000 0.811 195 K CB 2.162 34.554 32.500 -0.180 0.000 1.120 195 K HN 0.434 nan 8.250 nan 0.000 0.428 196 L N 4.156 125.240 121.223 -0.233 0.000 2.322 196 L HA 0.402 4.742 4.340 -0.000 0.000 0.281 196 L C -0.826 175.909 176.870 -0.225 0.000 1.014 196 L CA -0.393 54.321 54.840 -0.210 0.000 0.815 196 L CB 1.196 43.141 42.059 -0.189 0.000 1.247 196 L HN 0.464 nan 8.230 nan 0.000 0.421 197 K N 4.499 124.743 120.400 -0.260 0.000 2.322 197 K HA 0.494 4.814 4.320 -0.000 0.000 0.283 197 K C -0.269 176.223 176.600 -0.179 0.000 1.042 197 K CA -0.068 56.062 56.287 -0.261 0.000 0.958 197 K CB 1.279 33.579 32.500 -0.334 0.000 0.984 197 K HN 0.585 nan 8.250 nan 0.000 0.473 198 V N -2.152 117.644 119.914 -0.198 0.000 3.084 198 V HA 0.861 4.981 4.120 -0.000 0.000 0.311 198 V C 0.684 176.604 176.094 -0.289 0.000 1.311 198 V CA -0.218 61.989 62.300 -0.154 0.000 1.062 198 V CB 1.206 32.993 31.823 -0.059 0.000 1.113 198 V HN 0.811 nan 8.190 nan 0.000 0.468 199 G N 0.347 108.993 108.800 -0.257 0.000 2.134 199 G HA2 -0.166 3.793 3.960 -0.000 0.000 0.209 199 G HA3 -0.166 3.793 3.960 -0.000 0.000 0.209 199 G C 0.065 174.904 174.900 -0.102 0.000 0.993 199 G CA 0.407 45.208 45.100 -0.500 0.000 0.669 199 G HN 1.481 nan 8.290 nan 0.000 0.519 200 Q N -0.247 119.572 119.800 0.032 0.000 2.312 200 Q HA 0.635 4.974 4.340 -0.000 0.000 0.236 200 Q C -1.407 174.664 176.000 0.118 0.000 0.965 200 Q CA -1.128 54.710 55.803 0.058 0.000 0.894 200 Q CB 1.209 29.977 28.738 0.051 0.000 1.225 200 Q HN 0.100 nan 8.270 nan 0.000 0.478 201 P HA -0.209 nan 4.420 nan 0.000 0.216 201 P C 0.035 177.392 177.300 0.094 0.000 1.157 201 P CA 1.455 64.612 63.100 0.095 0.000 0.880 201 P CB 0.032 31.771 31.700 0.065 0.000 0.791 202 N N -0.255 118.492 118.700 0.078 0.000 2.466 202 N HA -0.024 4.716 4.740 -0.000 0.000 0.263 202 N C 0.748 176.309 175.510 0.084 0.000 1.178 202 N CA 0.057 53.147 53.050 0.066 0.000 0.983 202 N CB -0.546 37.971 38.487 0.050 0.000 1.331 202 N HN 0.020 nan 8.380 nan 0.000 0.500 203 C N 2.238 121.591 119.300 0.089 0.000 2.413 203 C HA -0.141 4.319 4.460 -0.000 0.000 0.276 203 C C 2.583 177.614 174.990 0.069 0.000 1.248 203 C CA 1.152 60.229 59.018 0.098 0.000 1.742 203 C CB -1.259 26.503 27.740 0.037 0.000 2.017 203 C HN 0.835 nan 8.230 nan 0.000 0.481 204 A N 0.389 123.236 122.820 0.045 0.000 1.940 204 A HA -0.231 4.089 4.320 -0.000 0.000 0.219 204 A C 2.027 179.635 177.584 0.039 0.000 1.176 204 A CA 2.231 54.290 52.037 0.037 0.000 0.631 204 A CB -0.559 18.458 19.000 0.027 0.000 0.814 204 A HN 0.572 nan 8.150 nan 0.000 0.446 205 E N 0.545 120.769 120.200 0.040 0.000 2.110 205 E HA -0.165 4.185 4.350 -0.000 0.000 0.193 205 E C 1.377 177.993 176.600 0.026 0.000 0.988 205 E CA 1.552 57.970 56.400 0.031 0.000 0.804 205 E CB -0.295 29.424 29.700 0.032 0.000 0.745 205 E HN 0.537 nan 8.360 nan 0.000 0.458 206 D N -0.164 120.264 120.400 0.048 0.000 2.117 206 D HA -0.128 4.512 4.640 -0.000 0.000 0.197 206 D C 1.828 178.135 176.300 0.011 0.000 0.987 206 D CA 0.745 54.770 54.000 0.041 0.000 0.829 206 D CB -0.088 40.782 40.800 0.116 0.000 0.961 206 D HN 0.229 nan 8.370 nan 0.000 0.460 207 I N 0.883 121.476 120.570 0.039 0.000 2.286 207 I HA -0.187 3.983 4.170 -0.000 0.000 0.248 207 I C 2.442 178.565 176.117 0.009 0.000 1.115 207 I CA 0.817 62.142 61.300 0.042 0.000 1.392 207 I CB -0.802 37.252 38.000 0.090 0.000 1.065 207 I HN 0.057 nan 8.210 nan 0.000 0.418 208 R N 1.245 121.753 120.500 0.012 0.000 2.070 208 R HA -0.163 4.177 4.340 -0.000 0.000 0.233 208 R C 2.464 178.744 176.300 -0.033 0.000 1.137 208 R CA 1.480 57.582 56.100 0.005 0.000 0.945 208 R CB -0.089 30.217 30.300 0.010 0.000 0.845 208 R HN 0.252 nan 8.270 nan 0.000 0.430 209 R N 0.261 120.733 120.500 -0.047 0.000 2.081 209 R HA -0.147 4.193 4.340 -0.000 0.000 0.235 209 R C 2.365 178.584 176.300 -0.135 0.000 1.131 209 R CA 1.393 57.449 56.100 -0.073 0.000 0.960 209 R CB -0.501 29.761 30.300 -0.063 0.000 0.856 209 R HN 0.192 nan 8.270 nan 0.000 0.436 210 L N 0.990 122.092 121.223 -0.201 0.000 2.046 210 L HA -0.167 4.173 4.340 -0.000 0.000 0.208 210 L C 2.356 178.924 176.870 -0.503 0.000 1.077 210 L CA 2.393 56.998 54.840 -0.392 0.000 0.747 210 L CB -0.938 40.804 42.059 -0.529 0.000 0.896 210 L HN 0.337 nan 8.230 nan 0.000 0.432 211 T N -2.937 111.406 114.554 -0.352 0.000 2.788 211 T HA -0.130 4.220 4.350 -0.000 0.000 0.268 211 T C 1.910 176.585 174.700 -0.041 0.000 1.044 211 T CA 1.141 63.185 62.100 -0.094 0.000 1.139 211 T CB -0.919 68.036 68.868 0.144 0.000 0.867 211 T HN 0.368 nan 8.240 nan 0.000 0.454 212 A N 1.125 123.908 122.820 -0.061 0.000 1.902 212 A HA 0.086 4.406 4.320 -0.000 0.000 0.217 212 A C 2.654 180.204 177.584 -0.057 0.000 1.181 212 A CA 1.614 53.627 52.037 -0.040 0.000 0.623 212 A CB -1.074 17.903 19.000 -0.039 0.000 0.818 212 A HN 0.427 nan 8.150 nan 0.000 0.443 213 V N 0.221 120.076 119.914 -0.098 0.000 2.358 213 V HA -0.222 3.898 4.120 -0.000 0.000 0.246 213 V C 2.682 178.731 176.094 -0.074 0.000 1.047 213 V CA 2.306 64.548 62.300 -0.096 0.000 1.035 213 V CB -0.827 30.920 31.823 -0.128 0.000 0.658 213 V HN 0.663 nan 8.190 nan 0.000 0.452 214 R N 0.690 121.138 120.500 -0.086 0.000 2.096 214 R HA -0.150 4.190 4.340 -0.000 0.000 0.235 214 R C 2.197 178.518 176.300 0.033 0.000 1.127 214 R CA 1.678 57.776 56.100 -0.003 0.000 0.968 214 R CB -0.751 29.596 30.300 0.078 0.000 0.861 214 R HN 0.460 nan 8.270 nan 0.000 0.440 215 E N 0.302 120.519 120.200 0.028 0.000 2.058 215 E HA -0.134 4.216 4.350 -0.000 0.000 0.194 215 E C 1.720 178.322 176.600 0.003 0.000 0.997 215 E CA 1.718 58.135 56.400 0.029 0.000 0.801 215 E CB -0.337 29.378 29.700 0.025 0.000 0.746 215 E HN 0.399 nan 8.360 nan 0.000 0.450 216 A N 0.770 123.578 122.820 -0.020 0.000 1.930 216 A HA -0.104 4.216 4.320 -0.000 0.000 0.217 216 A C 2.461 180.009 177.584 -0.060 0.000 1.175 216 A CA 1.077 53.090 52.037 -0.040 0.000 0.627 216 A CB -0.570 18.398 19.000 -0.053 0.000 0.815 216 A HN 0.284 nan 8.150 nan 0.000 0.443 217 L N -1.489 119.702 121.223 -0.054 0.000 2.240 217 L HA 0.203 4.543 4.340 -0.000 0.000 0.211 217 L C 1.345 178.210 176.870 -0.008 0.000 1.106 217 L CA 0.558 55.353 54.840 -0.074 0.000 0.793 217 L CB -0.708 41.349 42.059 -0.002 0.000 0.927 217 L HN 0.663 nan 8.230 nan 0.000 0.446 218 G N -0.103 108.712 108.800 0.025 0.000 2.707 218 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.686 218 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.686 218 G C -0.343 174.605 174.900 0.080 0.000 1.315 218 G CA -0.210 44.917 45.100 0.047 0.000 0.832 218 G HN 0.133 nan 8.290 nan 0.000 0.573 219 D N 0.257 120.701 120.400 0.073 0.000 2.178 219 D HA 0.003 4.643 4.640 -0.000 0.000 0.201 219 D C 2.272 178.623 176.300 0.086 0.000 0.980 219 D CA 1.763 55.808 54.000 0.076 0.000 0.842 219 D CB 0.198 41.031 40.800 0.055 0.000 0.948 219 D HN 0.482 nan 8.370 nan 0.000 0.472 220 E N -0.119 120.143 120.200 0.104 0.000 2.086 220 E HA -0.029 4.321 4.350 -0.000 0.000 0.190 220 E C 0.531 177.207 176.600 0.128 0.000 0.975 220 E CA -0.128 56.335 56.400 0.106 0.000 0.813 220 E CB -0.536 29.227 29.700 0.106 0.000 0.768 220 E HN 0.252 nan 8.360 nan 0.000 0.457 221 F N 3.142 123.103 119.950 0.018 0.000 2.623 221 F HA 0.008 4.535 4.527 -0.000 0.000 0.383 221 F C -1.834 173.956 175.800 -0.017 0.000 1.077 221 F CA -1.834 56.174 58.000 0.013 0.000 1.268 221 F CB 0.284 39.284 39.000 0.001 0.000 1.053 221 F HN -0.195 nan 8.300 nan 0.000 0.571 222 P HA 0.083 nan 4.420 nan 0.000 0.262 222 P C -1.193 175.896 177.300 -0.352 0.000 1.199 222 P CA 0.205 63.087 63.100 -0.364 0.000 0.763 222 P CB 0.581 32.076 31.700 -0.343 0.000 0.790 223 L N 5.543 126.562 121.223 -0.339 0.000 2.408 223 L HA 0.667 5.007 4.340 -0.000 0.000 0.268 223 L C -0.897 175.649 176.870 -0.541 0.000 0.986 223 L CA -0.581 54.055 54.840 -0.340 0.000 0.820 223 L CB 1.543 43.505 42.059 -0.162 0.000 1.303 223 L HN 0.257 nan 8.230 nan 0.000 0.411 224 M N 4.954 124.151 119.600 -0.671 0.000 2.631 224 M HA 0.803 5.283 4.480 -0.000 0.000 0.288 224 M C -1.010 174.980 176.300 -0.516 0.000 1.260 224 M CA -0.880 53.919 55.300 -0.835 0.000 0.842 224 M CB 1.448 32.997 32.600 -1.753 0.000 1.743 224 M HN 0.416 nan 8.290 nan 0.000 0.461 225 V N -1.520 118.185 119.914 -0.349 0.000 3.001 225 V HA 0.877 4.997 4.120 -0.000 0.000 0.314 225 V C -1.567 174.468 176.094 -0.099 0.000 1.099 225 V CA -0.427 61.758 62.300 -0.191 0.000 0.989 225 V CB 2.229 33.994 31.823 -0.097 0.000 1.040 225 V HN 0.962 nan 8.190 nan 0.000 0.434 226 D N 1.549 121.869 120.400 -0.133 0.000 2.736 226 D HA 0.691 5.331 4.640 -0.000 0.000 0.243 226 D C 0.304 176.455 176.300 -0.248 0.000 1.304 226 D CA 0.162 54.090 54.000 -0.119 0.000 0.934 226 D CB 2.102 42.855 40.800 -0.079 0.000 1.382 226 D HN 0.898 nan 8.370 nan 0.000 0.571 227 A N 3.571 126.176 122.820 -0.360 0.000 2.238 227 A HA 0.106 4.426 4.320 -0.000 0.000 0.210 227 A C 0.894 178.249 177.584 -0.380 0.000 1.179 227 A CA -0.042 51.625 52.037 -0.617 0.000 0.827 227 A CB -0.253 18.006 19.000 -1.234 0.000 0.856 227 A HN 0.717 nan 8.150 nan 0.000 0.488 228 N N 0.258 118.833 118.700 -0.208 0.000 2.714 228 N HA -0.253 4.487 4.740 -0.000 0.000 0.252 228 N C -0.250 175.197 175.510 -0.105 0.000 1.014 228 N CA 1.280 54.263 53.050 -0.113 0.000 0.735 228 N CB -1.301 37.148 38.487 -0.063 0.000 0.924 228 N HN 0.795 nan 8.380 nan 0.000 0.540 229 Q N -3.071 116.662 119.800 -0.112 0.000 2.416 229 Q HA -0.270 4.070 4.340 -0.000 0.000 0.235 229 Q C 0.230 176.188 176.000 -0.071 0.000 0.773 229 Q CA 1.189 56.958 55.803 -0.056 0.000 1.286 229 Q CB -0.934 27.802 28.738 -0.004 0.000 1.556 229 Q HN 0.431 nan 8.270 nan 0.000 0.650 230 Q N -0.847 118.846 119.800 -0.179 0.000 2.444 230 Q HA 0.025 4.365 4.340 -0.000 0.000 0.206 230 Q C 0.029 176.023 176.000 -0.010 0.000 0.948 230 Q CA 0.722 56.447 55.803 -0.130 0.000 0.946 230 Q CB 0.248 28.882 28.738 -0.173 0.000 1.027 230 Q HN 0.317 nan 8.270 nan 0.000 0.513 231 W N 1.863 123.157 121.300 -0.010 0.000 2.578 231 W HA 0.245 4.905 4.660 -0.000 0.000 0.353 231 W C 0.176 176.679 176.519 -0.027 0.000 1.088 231 W CA -1.610 55.724 57.345 -0.018 0.000 1.235 231 W CB 0.726 30.170 29.460 -0.027 0.000 1.362 231 W HN -0.010 nan 8.180 nan 0.000 0.592 232 D N -0.398 120.129 120.400 0.212 0.000 2.432 232 D HA 0.304 4.944 4.640 -0.000 0.000 0.258 232 D C 1.091 177.426 176.300 0.059 0.000 1.146 232 D CA -0.549 53.509 54.000 0.097 0.000 1.015 232 D CB 0.921 41.756 40.800 0.058 0.000 1.107 232 D HN 0.218 nan 8.370 nan 0.000 0.529 233 R N -0.350 120.161 120.500 0.017 0.000 2.103 233 R HA -0.171 4.168 4.340 -0.000 0.000 0.242 233 R C 1.651 177.926 176.300 -0.041 0.000 1.142 233 R CA 1.567 57.659 56.100 -0.014 0.000 0.960 233 R CB -0.296 29.994 30.300 -0.017 0.000 0.858 233 R HN 0.502 nan 8.270 nan 0.000 0.439 234 E N -0.206 119.970 120.200 -0.040 0.000 2.058 234 E HA -0.139 4.211 4.350 -0.000 0.000 0.194 234 E C 2.067 178.595 176.600 -0.120 0.000 0.997 234 E CA 1.935 58.296 56.400 -0.064 0.000 0.801 234 E CB -0.418 29.254 29.700 -0.046 0.000 0.746 234 E HN 0.259 nan 8.360 nan 0.000 0.450 235 T N 0.507 114.975 114.554 -0.144 0.000 2.821 235 T HA -0.089 4.261 4.350 -0.000 0.000 0.267 235 T C 1.922 176.305 174.700 -0.527 0.000 1.046 235 T CA 1.161 63.076 62.100 -0.307 0.000 1.139 235 T CB -0.394 68.303 68.868 -0.285 0.000 0.871 235 T HN 0.280 nan 8.240 nan 0.000 0.454 236 A N 1.536 124.153 122.820 -0.338 0.000 1.865 236 A HA -0.099 4.221 4.320 -0.000 0.000 0.217 236 A C 2.264 179.686 177.584 -0.270 0.000 1.191 236 A CA 1.571 53.435 52.037 -0.287 0.000 0.623 236 A CB -0.842 18.172 19.000 0.025 0.000 0.826 236 A HN 0.427 nan 8.150 nan 0.000 0.444 237 I N -0.687 119.782 120.570 -0.169 0.000 2.394 237 I HA -0.142 4.028 4.170 -0.000 0.000 0.251 237 I C 2.359 178.383 176.117 -0.156 0.000 1.136 237 I CA 1.401 62.626 61.300 -0.124 0.000 1.425 237 I CB -0.411 37.541 38.000 -0.080 0.000 1.079 237 I HN 0.324 nan 8.210 nan 0.000 0.425 238 R N -0.354 120.024 120.500 -0.204 0.000 2.070 238 R HA -0.144 4.196 4.340 -0.000 0.000 0.233 238 R C 2.185 178.347 176.300 -0.230 0.000 1.137 238 R CA 1.669 57.654 56.100 -0.192 0.000 0.945 238 R CB -0.203 29.979 30.300 -0.198 0.000 0.845 238 R HN 0.261 nan 8.270 nan 0.000 0.430 239 M N -0.390 118.970 119.600 -0.400 0.000 2.159 239 M HA -0.069 4.411 4.480 -0.000 0.000 0.263 239 M C 2.301 178.476 176.300 -0.210 0.000 1.063 239 M CA 1.560 56.615 55.300 -0.408 0.000 1.110 239 M CB -1.319 30.705 32.600 -0.960 0.000 1.374 239 M HN 0.320 nan 8.290 nan 0.000 0.411 240 G N 0.597 109.280 108.800 -0.195 0.000 2.480 240 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.216 240 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.216 240 G C 1.695 176.576 174.900 -0.032 0.000 1.200 240 G CA 0.535 45.603 45.100 -0.054 0.000 0.782 240 G HN 0.294 nan 8.290 nan 0.000 0.554 241 R N 0.578 121.042 120.500 -0.059 0.000 2.096 241 R HA -0.096 4.244 4.340 -0.000 0.000 0.240 241 R C 2.421 178.692 176.300 -0.049 0.000 1.139 241 R CA 1.574 57.644 56.100 -0.050 0.000 0.952 241 R CB -0.860 29.404 30.300 -0.060 0.000 0.854 241 R HN 0.439 nan 8.270 nan 0.000 0.436 242 K N 0.224 120.595 120.400 -0.049 0.000 2.283 242 K HA 0.002 4.322 4.320 -0.000 0.000 0.202 242 K C 1.795 178.399 176.600 0.007 0.000 1.048 242 K CA 0.954 57.222 56.287 -0.032 0.000 0.948 242 K CB 0.121 32.612 32.500 -0.013 0.000 0.742 242 K HN 0.116 nan 8.250 nan 0.000 0.458 243 M N 0.145 119.791 119.600 0.077 0.000 2.428 243 M HA 0.027 4.507 4.480 -0.000 0.000 0.239 243 M C 1.000 177.359 176.300 0.098 0.000 1.121 243 M CA 0.191 55.638 55.300 0.246 0.000 1.019 243 M CB 0.489 33.264 32.600 0.291 0.000 1.485 243 M HN 0.021 nan 8.290 nan 0.000 0.484 244 E N 1.628 121.822 120.200 -0.012 0.000 2.130 244 E HA -0.252 4.098 4.350 -0.000 0.000 0.196 244 E C 1.906 178.449 176.600 -0.095 0.000 0.998 244 E CA 1.574 57.957 56.400 -0.029 0.000 0.806 244 E CB -0.364 29.312 29.700 -0.041 0.000 0.738 244 E HN 0.729 nan 8.360 nan 0.000 0.459 245 Q N -0.348 119.302 119.800 -0.250 0.000 2.291 245 Q HA -0.125 4.215 4.340 -0.000 0.000 0.206 245 Q C 1.500 177.275 176.000 -0.375 0.000 0.976 245 Q CA 1.206 56.789 55.803 -0.368 0.000 0.875 245 Q CB -0.419 27.986 28.738 -0.555 0.000 0.927 245 Q HN 0.212 nan 8.270 nan 0.000 0.450 246 F N 1.268 121.208 119.950 -0.017 0.000 2.797 246 F HA 0.196 4.723 4.527 -0.000 0.000 0.302 246 F C -0.118 175.663 175.800 -0.032 0.000 1.130 246 F CA -0.069 57.917 58.000 -0.024 0.000 1.387 246 F CB -0.507 38.474 39.000 -0.031 0.000 1.107 246 F HN 0.084 nan 8.300 nan 0.000 0.577 247 N N 0.952 119.707 118.700 0.091 0.000 2.705 247 N HA -0.214 4.526 4.740 -0.000 0.000 0.255 247 N C -0.725 174.803 175.510 0.028 0.000 1.008 247 N CA -0.051 53.029 53.050 0.050 0.000 0.742 247 N CB -1.477 37.032 38.487 0.036 0.000 0.906 247 N HN 0.238 nan 8.380 nan 0.000 0.541 248 L N 0.293 121.530 121.223 0.024 0.000 2.467 248 L HA 0.095 4.435 4.340 -0.000 0.000 0.270 248 L C 1.887 178.676 176.870 -0.135 0.000 1.205 248 L CA -0.641 54.146 54.840 -0.089 0.000 0.828 248 L CB 0.295 42.305 42.059 -0.082 0.000 1.101 248 L HN 0.206 nan 8.230 nan 0.000 0.479 249 I N 0.505 120.870 120.570 -0.341 0.000 2.394 249 I HA -0.100 4.070 4.170 -0.000 0.000 0.251 249 I C 0.259 176.268 176.117 -0.180 0.000 1.136 249 I CA 1.220 62.315 61.300 -0.341 0.000 1.425 249 I CB -0.835 36.679 38.000 -0.809 0.000 1.079 249 I HN 0.812 nan 8.210 nan 0.000 0.425 250 W N -0.350 120.751 121.300 -0.332 0.000 3.064 250 W HA 0.558 5.218 4.660 -0.000 0.000 0.328 250 W C -2.103 174.295 176.519 -0.202 0.000 1.210 250 W CA -1.675 55.507 57.345 -0.273 0.000 1.178 250 W CB -0.226 28.919 29.460 -0.525 0.000 1.416 250 W HN -0.265 nan 8.180 nan 0.000 0.568 251 I N 2.417 123.180 120.570 0.321 0.000 2.389 251 I HA 0.298 4.468 4.170 -0.000 0.000 0.288 251 I C -0.198 176.075 176.117 0.260 0.000 0.999 251 I CA -0.840 60.608 61.300 0.246 0.000 1.129 251 I CB 1.750 39.880 38.000 0.216 0.000 1.288 251 I HN 0.562 nan 8.210 nan 0.000 0.444 252 E N 6.180 126.515 120.200 0.225 0.000 2.204 252 E HA 0.222 4.572 4.350 -0.000 0.000 0.276 252 E C -0.465 176.148 176.600 0.023 0.000 0.974 252 E CA -0.428 56.017 56.400 0.076 0.000 0.815 252 E CB 0.940 30.706 29.700 0.110 0.000 1.119 252 E HN 0.514 nan 8.360 nan 0.000 0.393 253 E N 2.599 122.823 120.200 0.039 0.000 2.149 253 E HA -0.183 4.167 4.350 -0.000 0.000 0.191 253 E C -1.799 174.813 176.600 0.019 0.000 1.384 253 E CA 0.126 56.573 56.400 0.078 0.000 0.698 253 E CB -0.461 29.227 29.700 -0.021 0.000 1.086 253 E HN 0.524 nan 8.360 nan 0.000 0.338 254 P HA -0.115 nan 4.420 nan 0.000 0.221 254 P C 0.609 177.936 177.300 0.045 0.000 1.150 254 P CA 1.274 64.430 63.100 0.094 0.000 0.800 254 P CB 0.372 32.208 31.700 0.227 0.000 0.787 255 L N -1.604 119.554 121.223 -0.109 0.000 2.230 255 L HA 0.441 4.781 4.340 -0.000 0.000 0.255 255 L C 0.139 177.043 176.870 0.057 0.000 1.039 255 L CA -1.376 53.414 54.840 -0.083 0.000 0.846 255 L CB 0.520 42.424 42.059 -0.259 0.000 1.419 255 L HN -0.313 nan 8.230 nan 0.000 0.435 256 D N 0.270 120.713 120.400 0.071 0.000 2.571 256 D HA 0.056 4.696 4.640 -0.000 0.000 0.231 256 D C 0.984 177.380 176.300 0.161 0.000 1.133 256 D CA 0.794 54.860 54.000 0.110 0.000 0.862 256 D CB 1.353 42.222 40.800 0.114 0.000 1.179 256 D HN 0.621 nan 8.370 nan 0.000 0.474 257 A N 3.514 126.366 122.820 0.054 0.000 2.084 257 A HA -0.205 4.115 4.320 -0.000 0.000 0.221 257 A C 1.276 178.620 177.584 -0.401 0.000 1.161 257 A CA 1.262 53.182 52.037 -0.195 0.000 0.653 257 A CB -0.599 18.199 19.000 -0.337 0.000 0.802 257 A HN 0.769 nan 8.150 nan 0.000 0.457 258 Y N -1.136 119.156 120.300 -0.012 0.000 2.485 258 Y HA 0.169 4.719 4.550 -0.000 0.000 0.260 258 Y C 0.521 176.431 175.900 0.016 0.000 1.173 258 Y CA -0.533 57.549 58.100 -0.031 0.000 1.252 258 Y CB 0.407 38.844 38.460 -0.039 0.000 1.123 258 Y HN 0.198 nan 8.280 nan 0.000 0.524 259 D N 1.257 121.764 120.400 0.177 0.000 2.551 259 D HA 0.098 4.738 4.640 -0.000 0.000 0.223 259 D C 1.166 177.584 176.300 0.198 0.000 1.144 259 D CA 0.273 54.368 54.000 0.159 0.000 1.025 259 D CB -0.312 40.555 40.800 0.112 0.000 1.085 259 D HN 0.315 nan 8.370 nan 0.000 0.506 260 I N 1.214 121.845 120.570 0.101 0.000 2.099 260 I HA -0.275 3.895 4.170 -0.000 0.000 0.239 260 I C 2.068 178.230 176.117 0.073 0.000 1.066 260 I CA 1.066 62.399 61.300 0.055 0.000 1.324 260 I CB -0.086 37.914 38.000 0.001 0.000 1.037 260 I HN 0.326 nan 8.210 nan 0.000 0.401 261 E N 0.884 121.115 120.200 0.052 0.000 2.153 261 E HA -0.143 4.207 4.350 -0.000 0.000 0.194 261 E C 2.300 178.923 176.600 0.039 0.000 0.988 261 E CA 1.098 57.521 56.400 0.038 0.000 0.811 261 E CB -0.320 29.395 29.700 0.024 0.000 0.746 261 E HN 0.632 nan 8.360 nan 0.000 0.466 262 G N 1.198 110.021 108.800 0.039 0.000 2.421 262 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.216 262 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.216 262 G C 1.345 176.228 174.900 -0.029 0.000 1.171 262 G CA 0.737 45.831 45.100 -0.010 0.000 0.775 262 G HN 0.276 nan 8.290 nan 0.000 0.543 263 H N 0.770 119.840 119.070 -0.001 0.000 2.321 263 H HA -0.036 4.520 4.556 -0.000 0.000 0.300 263 H C 3.050 178.376 175.328 -0.002 0.000 1.087 263 H CA 1.337 57.383 56.048 -0.004 0.000 1.319 263 H CB -0.373 29.368 29.762 -0.034 0.000 1.379 263 H HN 0.373 nan 8.280 nan 0.000 0.501 264 A N 1.142 124.034 122.820 0.121 0.000 1.917 264 A HA -0.287 4.033 4.320 -0.000 0.000 0.219 264 A C 2.411 180.021 177.584 0.043 0.000 1.182 264 A CA 2.179 54.253 52.037 0.061 0.000 0.633 264 A CB -0.825 18.197 19.000 0.037 0.000 0.819 264 A HN 0.547 nan 8.150 nan 0.000 0.448 265 Q N -0.478 119.341 119.800 0.031 0.000 2.084 265 Q HA -0.142 4.197 4.340 -0.000 0.000 0.202 265 Q C 2.013 178.022 176.000 0.015 0.000 0.978 265 Q CA 1.661 57.473 55.803 0.016 0.000 0.844 265 Q CB -0.251 28.490 28.738 0.004 0.000 0.898 265 Q HN 0.677 nan 8.270 nan 0.000 0.426 266 L N 0.238 121.470 121.223 0.014 0.000 2.056 266 L HA -0.142 4.198 4.340 -0.000 0.000 0.207 266 L C 2.644 179.538 176.870 0.041 0.000 1.078 266 L CA 0.948 55.799 54.840 0.018 0.000 0.749 266 L CB -0.627 41.439 42.059 0.011 0.000 0.901 266 L HN 0.336 nan 8.230 nan 0.000 0.433 267 A N 0.060 122.915 122.820 0.058 0.000 1.908 267 A HA -0.208 4.112 4.320 -0.000 0.000 0.218 267 A C 2.476 180.087 177.584 0.046 0.000 1.181 267 A CA 1.909 53.985 52.037 0.065 0.000 0.627 267 A CB -0.711 18.329 19.000 0.067 0.000 0.818 267 A HN 0.416 nan 8.150 nan 0.000 0.445 268 A N -0.693 122.147 122.820 0.034 0.000 1.968 268 A HA 0.314 4.634 4.320 -0.000 0.000 0.217 268 A C 2.357 179.952 177.584 0.019 0.000 1.169 268 A CA 1.680 53.731 52.037 0.024 0.000 0.638 268 A CB -0.662 18.349 19.000 0.019 0.000 0.812 268 A HN 0.982 nan 8.150 nan 0.000 0.446 269 A N -0.887 121.943 122.820 0.017 0.000 2.021 269 A HA 0.428 4.748 4.320 -0.000 0.000 0.216 269 A C 0.907 178.499 177.584 0.012 0.000 1.163 269 A CA 0.336 52.379 52.037 0.009 0.000 0.676 269 A CB -0.179 18.821 19.000 0.001 0.000 0.818 269 A HN 0.406 nan 8.150 nan 0.000 0.453 270 L N -0.822 120.415 121.223 0.024 0.000 2.334 270 L HA 0.374 4.714 4.340 -0.000 0.000 0.272 270 L C 0.220 177.115 176.870 0.041 0.000 1.020 270 L CA -0.856 54.002 54.840 0.029 0.000 0.812 270 L CB 1.314 43.396 42.059 0.040 0.000 1.264 270 L HN 0.021 nan 8.230 nan 0.000 0.439 271 D N -0.211 120.212 120.400 0.038 0.000 2.213 271 D HA -0.030 4.610 4.640 -0.000 0.000 0.205 271 D C 0.486 176.829 176.300 0.072 0.000 0.961 271 D CA 0.809 54.836 54.000 0.046 0.000 0.853 271 D CB 0.203 41.023 40.800 0.034 0.000 0.967 271 D HN 0.486 nan 8.370 nan 0.000 0.496 272 T N 3.051 117.649 114.554 0.075 0.000 2.908 272 T HA 0.119 4.469 4.350 -0.000 0.000 0.301 272 T C -2.341 172.446 174.700 0.144 0.000 1.019 272 T CA -0.825 61.337 62.100 0.103 0.000 1.152 272 T CB 1.120 70.044 68.868 0.094 0.000 0.966 272 T HN -0.060 nan 8.240 nan 0.000 0.540 273 P HA 0.215 nan 4.420 nan 0.000 0.269 273 P C -0.513 176.947 177.300 0.267 0.000 1.215 273 P CA -0.393 62.881 63.100 0.291 0.000 0.780 273 P CB 0.447 32.469 31.700 0.537 0.000 0.898 274 I N 1.498 122.205 120.570 0.227 0.000 2.441 274 I HA 0.608 4.778 4.170 -0.000 0.000 0.295 274 I C 0.194 176.373 176.117 0.103 0.000 0.994 274 I CA -0.916 60.485 61.300 0.168 0.000 1.144 274 I CB 1.128 39.220 38.000 0.153 0.000 1.314 274 I HN 0.329 nan 8.210 nan 0.000 0.445 275 A N 4.088 126.882 122.820 -0.045 0.000 2.386 275 A HA 0.889 5.209 4.320 -0.000 0.000 0.311 275 A C -0.381 177.073 177.584 -0.218 0.000 1.068 275 A CA -0.499 51.377 52.037 -0.268 0.000 0.743 275 A CB 2.152 20.576 19.000 -0.959 0.000 1.258 275 A HN 0.715 nan 8.150 nan 0.000 0.429 276 T N -0.768 113.635 114.554 -0.253 0.000 2.700 276 T HA 0.582 4.932 4.350 -0.000 0.000 0.307 276 T C 0.410 174.940 174.700 -0.282 0.000 1.580 276 T CA 0.739 62.670 62.100 -0.280 0.000 0.992 276 T CB 0.849 69.434 68.868 -0.471 0.000 1.577 276 T HN 2.495 nan 8.240 nan 0.000 0.496 277 G N 1.302 109.915 108.800 -0.312 0.000 2.336 277 G HA2 -0.177 3.782 3.960 -0.000 0.000 0.194 277 G HA3 -0.177 3.782 3.960 -0.000 0.000 0.194 277 G C 0.795 175.583 174.900 -0.186 0.000 0.999 277 G CA 1.227 46.139 45.100 -0.314 0.000 0.669 277 G HN 1.044 nan 8.290 nan 0.000 0.482 278 E N 0.306 120.403 120.200 -0.170 0.000 2.171 278 E HA -0.129 4.221 4.350 -0.000 0.000 0.197 278 E C 2.133 178.615 176.600 -0.197 0.000 0.997 278 E CA 1.696 57.972 56.400 -0.207 0.000 0.810 278 E CB -0.243 29.137 29.700 -0.532 0.000 0.738 278 E HN 0.439 nan 8.360 nan 0.000 0.467 279 M N 0.860 120.331 119.600 -0.215 0.000 2.558 279 M HA 0.187 4.667 4.480 -0.000 0.000 0.255 279 M C 0.766 176.988 176.300 -0.129 0.000 1.113 279 M CA 0.381 55.592 55.300 -0.149 0.000 1.097 279 M CB -0.527 31.992 32.600 -0.134 0.000 1.426 279 M HN 0.112 nan 8.290 nan 0.000 0.488 280 L N 1.284 122.368 121.223 -0.233 0.000 2.456 280 L HA 0.055 4.395 4.340 -0.000 0.000 0.272 280 L C 1.141 178.009 176.870 -0.003 0.000 1.189 280 L CA 0.091 54.790 54.840 -0.235 0.000 0.846 280 L CB 0.131 41.797 42.059 -0.655 0.000 1.111 280 L HN 0.265 nan 8.230 nan 0.000 0.475 281 T N -2.110 112.471 114.554 0.046 0.000 3.355 281 T HA 0.407 4.757 4.350 -0.000 0.000 0.276 281 T C -0.060 174.709 174.700 0.114 0.000 1.003 281 T CA -0.087 62.067 62.100 0.090 0.000 0.943 281 T CB -0.109 68.800 68.868 0.067 0.000 1.158 281 T HN 0.739 nan 8.240 nan 0.000 0.513 282 S N -0.483 115.305 115.700 0.147 0.000 2.686 282 S HA 0.369 4.839 4.470 -0.000 0.000 0.273 282 S C -0.015 174.703 174.600 0.196 0.000 1.060 282 S CA -0.851 57.447 58.200 0.163 0.000 0.845 282 S CB -0.031 63.243 63.200 0.123 0.000 1.086 282 S HN 0.100 nan 8.310 nan 0.000 0.461 283 F N 2.299 122.277 119.950 0.047 0.000 2.102 283 F HA 0.052 4.579 4.527 -0.000 0.000 0.298 283 F C 2.507 178.324 175.800 0.028 0.000 1.105 283 F CA 1.781 59.790 58.000 0.014 0.000 1.239 283 F CB -0.210 38.771 39.000 -0.031 0.000 0.991 283 F HN 0.612 nan 8.300 nan 0.000 0.474 284 R N 0.914 121.461 120.500 0.078 0.000 2.112 284 R HA -0.227 4.113 4.340 -0.000 0.000 0.242 284 R C 2.079 178.297 176.300 -0.138 0.000 1.137 284 R CA 2.226 58.306 56.100 -0.032 0.000 0.944 284 R CB -1.238 29.104 30.300 0.069 0.000 0.857 284 R HN 0.501 nan 8.270 nan 0.000 0.435 285 E N -0.564 119.591 120.200 -0.075 0.000 2.085 285 E HA -0.199 4.151 4.350 -0.000 0.000 0.194 285 E C 2.025 178.463 176.600 -0.271 0.000 0.994 285 E CA 1.351 57.679 56.400 -0.119 0.000 0.801 285 E CB -0.253 29.402 29.700 -0.075 0.000 0.743 285 E HN 0.528 nan 8.360 nan 0.000 0.453 286 H N 0.173 119.066 119.070 -0.295 0.000 2.423 286 H HA -0.076 4.480 4.556 -0.000 0.000 0.297 286 H C 2.058 177.125 175.328 -0.435 0.000 1.075 286 H CA 1.523 57.354 56.048 -0.361 0.000 1.342 286 H CB 0.122 29.662 29.762 -0.370 0.000 1.395 286 H HN 0.189 nan 8.280 nan 0.000 0.530 287 E N 0.226 120.145 120.200 -0.469 0.000 2.077 287 E HA -0.223 4.127 4.350 -0.000 0.000 0.193 287 E C 1.754 178.177 176.600 -0.294 0.000 0.989 287 E CA 0.889 56.990 56.400 -0.498 0.000 0.800 287 E CB 0.210 29.522 29.700 -0.646 0.000 0.746 287 E HN 0.403 nan 8.360 nan 0.000 0.452 288 Q N 0.117 119.780 119.800 -0.228 0.000 2.084 288 Q HA -0.149 4.191 4.340 -0.000 0.000 0.202 288 Q C 2.335 178.235 176.000 -0.166 0.000 0.978 288 Q CA 0.940 56.652 55.803 -0.152 0.000 0.844 288 Q CB -0.228 28.451 28.738 -0.098 0.000 0.898 288 Q HN 0.312 nan 8.270 nan 0.000 0.426 289 L N -0.030 121.060 121.223 -0.223 0.000 2.109 289 L HA -0.098 4.242 4.340 -0.000 0.000 0.207 289 L C 2.258 179.000 176.870 -0.214 0.000 1.086 289 L CA 1.062 55.765 54.840 -0.229 0.000 0.760 289 L CB -0.384 41.483 42.059 -0.320 0.000 0.910 289 L HN 0.145 nan 8.230 nan 0.000 0.437 290 I N -1.185 119.228 120.570 -0.261 0.000 2.252 290 I HA -0.290 3.880 4.170 -0.000 0.000 0.245 290 I C 2.195 178.115 176.117 -0.329 0.000 1.102 290 I CA 1.129 62.235 61.300 -0.323 0.000 1.385 290 I CB -0.239 37.496 38.000 -0.440 0.000 1.064 290 I HN 0.182 nan 8.210 nan 0.000 0.414 291 L N 0.382 121.443 121.223 -0.269 0.000 2.191 291 L HA -0.114 4.226 4.340 -0.000 0.000 0.212 291 L C 2.271 179.106 176.870 -0.060 0.000 1.103 291 L CA 1.231 55.993 54.840 -0.130 0.000 0.769 291 L CB -0.803 41.210 42.059 -0.077 0.000 0.908 291 L HN 0.323 nan 8.230 nan 0.000 0.438 292 G N -1.089 107.662 108.800 -0.082 0.000 3.088 292 G HA2 -0.051 3.909 3.960 -0.000 0.000 0.212 292 G HA3 -0.051 3.909 3.960 -0.000 0.000 0.212 292 G C 0.463 175.344 174.900 -0.032 0.000 1.173 292 G CA -0.119 44.954 45.100 -0.045 0.000 0.779 292 G HN 0.573 nan 8.290 nan 0.000 0.540 293 N N -1.058 117.616 118.700 -0.044 0.000 2.727 293 N HA -0.261 4.479 4.740 -0.000 0.000 0.249 293 N C 1.492 176.990 175.510 -0.019 0.000 1.048 293 N CA 0.148 53.186 53.050 -0.020 0.000 0.714 293 N CB -0.714 37.781 38.487 0.013 0.000 0.959 293 N HN 0.413 nan 8.380 nan 0.000 0.544 294 A N -0.311 122.478 122.820 -0.053 0.000 1.969 294 A HA 0.068 4.387 4.320 -0.000 0.000 0.218 294 A C 1.158 178.735 177.584 -0.013 0.000 1.169 294 A CA 1.770 53.787 52.037 -0.034 0.000 0.635 294 A CB 0.103 19.017 19.000 -0.144 0.000 0.810 294 A HN 0.652 nan 8.150 nan 0.000 0.445 295 S N -2.594 113.076 115.700 -0.051 0.000 2.570 295 S HA 0.424 4.894 4.470 -0.000 0.000 0.270 295 S C -0.485 174.104 174.600 -0.018 0.000 1.149 295 S CA -0.342 57.847 58.200 -0.017 0.000 0.837 295 S CB 1.097 64.258 63.200 -0.065 0.000 1.124 295 S HN 0.164 nan 8.310 nan 0.000 0.465 296 D N -0.065 120.353 120.400 0.031 0.000 2.194 296 D HA 0.144 4.784 4.640 -0.000 0.000 0.204 296 D C -0.458 175.744 176.300 -0.165 0.000 0.964 296 D CA 1.276 55.262 54.000 -0.025 0.000 0.846 296 D CB 0.023 40.865 40.800 0.071 0.000 0.962 296 D HN 0.424 nan 8.370 nan 0.000 0.490 297 F N 0.813 120.682 119.950 -0.135 0.000 2.467 297 F HA 0.282 4.809 4.527 -0.000 0.000 0.336 297 F C 0.072 175.711 175.800 -0.269 0.000 1.123 297 F CA -0.889 56.974 58.000 -0.227 0.000 0.964 297 F CB 1.993 40.729 39.000 -0.440 0.000 1.136 297 F HN -0.410 nan 8.300 nan 0.000 0.447 298 V N 3.760 123.613 119.914 -0.102 0.000 2.394 298 V HA 0.316 4.436 4.120 -0.000 0.000 0.282 298 V C -0.434 175.557 176.094 -0.171 0.000 1.031 298 V CA -0.660 61.552 62.300 -0.147 0.000 0.881 298 V CB 1.448 33.166 31.823 -0.176 0.000 0.982 298 V HN 0.680 nan 8.190 nan 0.000 0.451 299 Q N 5.884 125.601 119.800 -0.137 0.000 2.721 299 Q HA 0.326 4.666 4.340 -0.000 0.000 0.257 299 Q C -2.617 173.369 176.000 -0.023 0.000 1.070 299 Q CA -1.685 54.053 55.803 -0.107 0.000 0.910 299 Q CB 1.549 30.212 28.738 -0.125 0.000 1.163 299 Q HN 0.524 nan 8.270 nan 0.000 0.501 300 P HA 0.093 nan 4.420 nan 0.000 0.276 300 P C -0.769 176.597 177.300 0.109 0.000 1.261 300 P CA -0.316 62.623 63.100 -0.268 0.000 0.800 300 P CB 0.851 31.946 31.700 -1.007 0.000 1.066 301 D N -0.017 120.563 120.400 0.299 0.000 2.476 301 D HA 0.304 4.944 4.640 -0.000 0.000 0.251 301 D C 0.787 177.437 176.300 0.585 0.000 1.291 301 D CA -0.597 53.715 54.000 0.520 0.000 0.939 301 D CB 1.608 42.720 40.800 0.520 0.000 1.221 301 D HN 0.238 nan 8.370 nan 0.000 0.567 302 A N 5.374 128.650 122.820 0.760 0.000 1.884 302 A HA -0.102 4.218 4.320 -0.000 0.000 0.219 302 A C -0.744 176.982 177.584 0.237 0.000 1.197 302 A CA 1.497 53.780 52.037 0.410 0.000 0.637 302 A CB -1.252 17.731 19.000 -0.028 0.000 0.827 302 A HN 0.490 nan 8.150 nan 0.000 0.450 303 P HA -0.155 nan 4.420 nan 0.000 0.215 303 P C 1.601 178.966 177.300 0.109 0.000 1.157 303 P CA 1.271 64.443 63.100 0.120 0.000 0.868 303 P CB -0.132 31.694 31.700 0.211 0.000 0.788 304 R N -0.337 120.258 120.500 0.158 0.000 2.092 304 R HA -0.055 4.285 4.340 -0.000 0.000 0.231 304 R C 1.894 178.273 176.300 0.132 0.000 1.119 304 R CA 1.729 57.889 56.100 0.100 0.000 0.970 304 R CB -1.187 29.194 30.300 0.135 0.000 0.864 304 R HN 0.238 nan 8.270 nan 0.000 0.440 305 V N -3.282 116.747 119.914 0.192 0.000 3.623 305 V HA 0.371 4.491 4.120 -0.000 0.000 0.271 305 V C 1.033 177.246 176.094 0.198 0.000 1.248 305 V CA 0.868 63.282 62.300 0.190 0.000 1.156 305 V CB 0.273 32.208 31.823 0.188 0.000 0.870 305 V HN 0.434 nan 8.190 nan 0.000 0.453 306 G N -1.783 107.139 108.800 0.204 0.000 2.175 306 G HA2 0.360 4.319 3.960 -0.000 0.000 0.182 306 G HA3 0.360 4.319 3.960 -0.000 0.000 0.182 306 G C 0.883 175.980 174.900 0.328 0.000 1.003 306 G CA -0.066 45.199 45.100 0.276 0.000 0.666 306 G HN 2.218 nan 8.290 nan 0.000 0.506 307 G N -1.139 107.802 108.800 0.234 0.000 2.422 307 G HA2 0.112 4.072 3.960 -0.000 0.000 0.607 307 G HA3 0.112 4.072 3.960 -0.000 0.000 0.607 307 G C 0.745 175.737 174.900 0.153 0.000 1.270 307 G CA -0.070 45.149 45.100 0.197 0.000 0.992 307 G HN 0.858 nan 8.290 nan 0.000 0.499 308 I N 0.719 121.318 120.570 0.049 0.000 2.252 308 I HA -0.136 4.034 4.170 -0.000 0.000 0.245 308 I C 2.958 179.024 176.117 -0.085 0.000 1.102 308 I CA 1.968 63.166 61.300 -0.169 0.000 1.385 308 I CB -0.432 37.214 38.000 -0.589 0.000 1.064 308 I HN 0.522 nan 8.210 nan 0.000 0.414 309 S N 1.316 117.092 115.700 0.126 0.000 2.359 309 S HA -0.126 4.344 4.470 -0.000 0.000 0.222 309 S C -0.303 174.308 174.600 0.019 0.000 1.038 309 S CA 1.912 60.209 58.200 0.162 0.000 1.051 309 S CB -1.506 61.815 63.200 0.202 0.000 0.944 309 S HN 0.385 nan 8.310 nan 0.000 0.433 310 P HA -0.065 nan 4.420 nan 0.000 0.219 310 P C 1.350 178.708 177.300 0.097 0.000 1.150 310 P CA 0.911 64.011 63.100 -0.000 0.000 0.814 310 P CB -0.162 31.555 31.700 0.030 0.000 0.787 311 F N 0.919 120.855 119.950 -0.023 0.000 2.161 311 F HA -0.173 4.354 4.527 -0.000 0.000 0.300 311 F C 2.271 178.043 175.800 -0.047 0.000 1.089 311 F CA 1.248 59.222 58.000 -0.043 0.000 1.282 311 F CB -0.643 38.334 39.000 -0.038 0.000 1.010 311 F HN -0.287 nan 8.300 nan 0.000 0.485 312 L N -0.005 121.339 121.223 0.202 0.000 2.046 312 L HA -0.255 4.085 4.340 -0.000 0.000 0.208 312 L C 2.389 179.295 176.870 0.060 0.000 1.077 312 L CA 1.590 56.495 54.840 0.110 0.000 0.747 312 L CB -0.674 41.384 42.059 -0.003 0.000 0.896 312 L HN 0.074 nan 8.230 nan 0.000 0.432 313 K N 0.182 120.597 120.400 0.024 0.000 2.097 313 K HA -0.128 4.191 4.320 -0.000 0.000 0.206 313 K C 2.041 178.759 176.600 0.197 0.000 1.049 313 K CA 1.245 57.539 56.287 0.012 0.000 0.933 313 K CB -0.139 32.207 32.500 -0.258 0.000 0.717 313 K HN 0.255 nan 8.250 nan 0.000 0.442 314 I N 0.727 121.383 120.570 0.144 0.000 2.226 314 I HA -0.291 3.879 4.170 -0.000 0.000 0.245 314 I C 2.412 178.464 176.117 -0.107 0.000 1.100 314 I CA 1.202 62.481 61.300 -0.035 0.000 1.374 314 I CB -0.208 37.543 38.000 -0.415 0.000 1.057 314 I HN 0.197 nan 8.210 nan 0.000 0.413 315 M N 0.369 119.905 119.600 -0.107 0.000 2.080 315 M HA -0.247 4.232 4.480 -0.000 0.000 0.260 315 M C 1.838 178.256 176.300 0.197 0.000 1.068 315 M CA 1.873 57.220 55.300 0.078 0.000 1.109 315 M CB -0.488 32.241 32.600 0.214 0.000 1.342 315 M HN 0.180 nan 8.290 nan 0.000 0.405 316 D N 0.364 120.839 120.400 0.125 0.000 2.117 316 D HA -0.143 4.497 4.640 -0.000 0.000 0.197 316 D C 1.794 178.164 176.300 0.117 0.000 0.987 316 D CA 1.053 55.112 54.000 0.097 0.000 0.829 316 D CB -0.411 40.433 40.800 0.073 0.000 0.961 316 D HN 0.195 nan 8.370 nan 0.000 0.460 317 L N 1.000 122.309 121.223 0.145 0.000 1.994 317 L HA -0.075 4.265 4.340 -0.000 0.000 0.208 317 L C 2.161 179.118 176.870 0.145 0.000 1.071 317 L CA 1.871 56.804 54.840 0.155 0.000 0.745 317 L CB -0.966 41.155 42.059 0.102 0.000 0.892 317 L HN -0.005 nan 8.230 nan 0.000 0.431 318 A N -0.334 122.529 122.820 0.070 0.000 1.873 318 A HA -0.230 4.090 4.320 -0.000 0.000 0.218 318 A C 2.471 180.158 177.584 0.172 0.000 1.193 318 A CA 2.454 54.537 52.037 0.077 0.000 0.629 318 A CB -1.406 17.612 19.000 0.029 0.000 0.826 318 A HN 0.617 nan 8.150 nan 0.000 0.447 319 A N -0.475 122.459 122.820 0.189 0.000 1.883 319 A HA -0.224 4.095 4.320 -0.000 0.000 0.217 319 A C 2.151 179.743 177.584 0.014 0.000 1.186 319 A CA 2.195 54.247 52.037 0.025 0.000 0.624 319 A CB -0.537 18.352 19.000 -0.186 0.000 0.822 319 A HN 0.578 nan 8.150 nan 0.000 0.444 320 K N -1.272 119.163 120.400 0.058 0.000 2.152 320 K HA -0.214 4.106 4.320 -0.000 0.000 0.206 320 K C 1.087 177.659 176.600 -0.047 0.000 1.048 320 K CA 1.701 57.996 56.287 0.014 0.000 0.933 320 K CB -0.205 32.328 32.500 0.055 0.000 0.721 320 K HN 0.652 nan 8.250 nan 0.000 0.447 321 H N -1.189 117.871 119.070 -0.017 0.000 2.538 321 H HA 0.202 4.758 4.556 -0.000 0.000 0.286 321 H C 0.680 175.989 175.328 -0.032 0.000 1.035 321 H CA 0.576 56.609 56.048 -0.025 0.000 1.169 321 H CB 0.571 30.316 29.762 -0.028 0.000 1.417 321 H HN 0.474 nan 8.280 nan 0.000 0.567 322 G N 1.188 110.011 108.800 0.039 0.000 2.225 322 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.267 322 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.267 322 G C 0.146 175.044 174.900 -0.003 0.000 1.024 322 G CA -0.082 45.017 45.100 -0.001 0.000 0.784 322 G HN 0.189 nan 8.290 nan 0.000 0.507 323 R N -0.291 120.225 120.500 0.028 0.000 2.532 323 R HA 0.543 4.883 4.340 -0.000 0.000 0.272 323 R C 0.599 176.880 176.300 -0.032 0.000 1.032 323 R CA -0.687 55.385 56.100 -0.046 0.000 1.089 323 R CB 0.621 30.889 30.300 -0.053 0.000 1.098 323 R HN 0.110 nan 8.270 nan 0.000 0.526 324 K N 1.106 121.345 120.400 -0.268 0.000 2.090 324 K HA 0.341 4.661 4.320 -0.000 0.000 0.250 324 K C -0.108 176.351 176.600 -0.235 0.000 1.004 324 K CA -0.901 55.222 56.287 -0.274 0.000 0.919 324 K CB 0.769 32.750 32.500 -0.865 0.000 1.045 324 K HN 0.286 nan 8.250 nan 0.000 0.471 325 L N 0.510 121.592 121.223 -0.235 0.000 2.341 325 L HA 0.502 4.842 4.340 -0.000 0.000 0.278 325 L C -1.097 175.787 176.870 0.023 0.000 1.005 325 L CA -0.076 54.544 54.840 -0.366 0.000 0.818 325 L CB 1.688 43.117 42.059 -1.050 0.000 1.259 325 L HN 0.701 nan 8.230 nan 0.000 0.418 326 A N 5.853 128.688 122.820 0.025 0.000 2.984 326 A HA 0.665 4.985 4.320 -0.000 0.000 0.320 326 A C -2.728 174.885 177.584 0.048 0.000 1.142 326 A CA -1.157 50.957 52.037 0.128 0.000 0.772 326 A CB 0.029 18.962 19.000 -0.112 0.000 1.195 326 A HN 0.508 nan 8.150 nan 0.000 0.459 327 P HA 0.005 nan 4.420 nan 0.000 0.267 327 P C -0.342 176.978 177.300 0.034 0.000 1.200 327 P CA 0.399 63.446 63.100 -0.088 0.000 0.772 327 P CB 0.294 31.815 31.700 -0.299 0.000 0.855 328 H N 4.626 123.673 119.070 -0.037 0.000 2.489 328 H HA 0.264 4.820 4.556 -0.000 0.000 0.322 328 H C 0.426 175.991 175.328 0.396 0.000 1.091 328 H CA -0.419 55.747 56.048 0.197 0.000 1.291 328 H CB 0.089 29.964 29.762 0.188 0.000 1.436 328 H HN 0.328 nan 8.280 nan 0.000 0.480 329 F N 2.814 122.504 119.950 -0.433 0.000 2.181 329 F HA -0.386 4.141 4.527 -0.000 0.000 0.317 329 F C 0.844 176.624 175.800 -0.033 0.000 0.129 329 F CA 2.026 59.738 58.000 -0.480 0.000 0.911 329 F CB -1.235 37.188 39.000 -0.961 0.000 4.128 329 F HN 0.920 nan 8.300 nan 0.000 0.142 330 A N 0.911 123.262 122.820 -0.782 0.000 2.253 330 A HA -0.235 4.085 4.320 -0.000 0.000 0.278 330 A C 1.437 178.820 177.584 -0.335 0.000 1.381 330 A CA 1.852 53.555 52.037 -0.556 0.000 0.771 330 A CB -1.853 16.924 19.000 -0.372 0.000 1.092 330 A HN 1.477 nan 8.150 nan 0.000 0.360 331 M N -1.786 117.673 119.600 -0.235 0.000 2.267 331 M HA -0.174 4.306 4.480 -0.000 0.000 0.263 331 M C 1.262 177.517 176.300 -0.074 0.000 1.063 331 M CA 2.325 57.584 55.300 -0.070 0.000 1.090 331 M CB -0.601 31.980 32.600 -0.032 0.000 1.392 331 M HN 0.387 nan 8.290 nan 0.000 0.422 332 E N 1.197 121.312 120.200 -0.143 0.000 2.209 332 E HA -0.098 4.252 4.350 -0.000 0.000 0.196 332 E C 2.005 178.634 176.600 0.048 0.000 0.993 332 E CA 1.404 57.738 56.400 -0.110 0.000 0.819 332 E CB -0.314 29.011 29.700 -0.626 0.000 0.745 332 E HN 0.517 nan 8.360 nan 0.000 0.477 333 V N -0.363 119.460 119.914 -0.152 0.000 2.690 333 V HA -0.064 4.056 4.120 -0.000 0.000 0.240 333 V C 1.647 177.627 176.094 -0.191 0.000 1.078 333 V CA 0.716 62.897 62.300 -0.199 0.000 1.102 333 V CB -0.350 31.170 31.823 -0.505 0.000 0.800 333 V HN 0.270 nan 8.190 nan 0.000 0.479 334 H N 0.240 119.231 119.070 -0.132 0.000 2.489 334 H HA -0.079 4.477 4.556 -0.000 0.000 0.293 334 H C 2.107 177.383 175.328 -0.086 0.000 1.066 334 H CA 1.447 57.404 56.048 -0.151 0.000 1.305 334 H CB -0.212 29.508 29.762 -0.071 0.000 1.386 334 H HN 0.306 nan 8.280 nan 0.000 0.551 335 L N 0.827 122.051 121.223 0.002 0.000 2.012 335 L HA -0.203 4.137 4.340 -0.000 0.000 0.210 335 L C 2.267 179.048 176.870 -0.148 0.000 1.073 335 L CA 1.844 56.627 54.840 -0.096 0.000 0.748 335 L CB -0.630 41.309 42.059 -0.200 0.000 0.891 335 L HN 0.258 nan 8.230 nan 0.000 0.431 336 H N -0.587 118.477 119.070 -0.010 0.000 2.357 336 H HA -0.049 4.507 4.556 -0.000 0.000 0.301 336 H C 2.333 177.640 175.328 -0.035 0.000 1.082 336 H CA 1.949 57.980 56.048 -0.028 0.000 1.342 336 H CB -0.201 29.530 29.762 -0.053 0.000 1.389 336 H HN 0.377 nan 8.280 nan 0.000 0.511 337 L N 0.798 122.044 121.223 0.039 0.000 2.027 337 L HA -0.154 4.186 4.340 -0.000 0.000 0.206 337 L C 2.784 179.735 176.870 0.134 0.000 1.074 337 L CA 1.508 56.352 54.840 0.006 0.000 0.745 337 L CB -0.529 41.372 42.059 -0.263 0.000 0.898 337 L HN 0.274 nan 8.230 nan 0.000 0.433 338 S N 0.134 115.906 115.700 0.120 0.000 2.423 338 S HA -0.101 4.369 4.470 -0.000 0.000 0.231 338 S C 2.119 176.804 174.600 0.142 0.000 1.014 338 S CA 0.721 59.008 58.200 0.144 0.000 0.965 338 S CB -0.413 62.851 63.200 0.107 0.000 0.785 338 S HN 0.340 nan 8.310 nan 0.000 0.495 339 A N 1.577 124.449 122.820 0.086 0.000 2.015 339 A HA 0.421 4.741 4.320 -0.000 0.000 0.219 339 A C 2.319 179.984 177.584 0.134 0.000 1.163 339 A CA 1.338 53.416 52.037 0.067 0.000 0.646 339 A CB -1.034 17.977 19.000 0.018 0.000 0.806 339 A HN 0.848 nan 8.150 nan 0.000 0.448 340 A N -2.256 120.662 122.820 0.164 0.000 2.218 340 A HA 0.278 4.598 4.320 -0.000 0.000 0.209 340 A C 0.690 178.468 177.584 0.322 0.000 1.168 340 A CA -0.152 52.006 52.037 0.202 0.000 0.804 340 A CB -0.369 18.708 19.000 0.129 0.000 0.834 340 A HN 0.456 nan 8.150 nan 0.000 0.482 341 Y N 1.580 121.962 120.300 0.136 0.000 2.425 341 Y HA 0.217 4.767 4.550 -0.000 0.000 0.331 341 Y C -1.177 174.678 175.900 -0.077 0.000 1.157 341 Y CA -1.907 56.230 58.100 0.063 0.000 1.372 341 Y CB 0.960 39.449 38.460 0.048 0.000 1.253 341 Y HN 0.105 nan 8.280 nan 0.000 0.536 342 P HA -0.150 nan 4.420 nan 0.000 0.217 342 P C -0.229 176.743 177.300 -0.547 0.000 1.150 342 P CA 1.409 63.965 63.100 -0.906 0.000 0.832 342 P CB 0.512 31.772 31.700 -0.734 0.000 0.787 343 L N -0.234 120.741 121.223 -0.413 0.000 2.379 343 L HA 0.336 4.676 4.340 -0.000 0.000 0.269 343 L C 0.780 177.716 176.870 0.109 0.000 1.084 343 L CA -1.156 53.634 54.840 -0.083 0.000 0.802 343 L CB 0.322 42.388 42.059 0.010 0.000 1.175 343 L HN -0.194 nan 8.230 nan 0.000 0.448 344 E N 3.995 124.223 120.200 0.047 0.000 2.498 344 E HA 0.060 4.410 4.350 -0.000 0.000 0.252 344 E C -2.267 174.391 176.600 0.098 0.000 1.025 344 E CA -0.798 55.621 56.400 0.031 0.000 0.938 344 E CB 0.333 30.020 29.700 -0.022 0.000 0.947 344 E HN 0.179 nan 8.360 nan 0.000 0.478 345 P HA 0.400 nan 4.420 nan 0.000 0.307 345 P C -1.111 176.230 177.300 0.069 0.000 1.307 345 P CA -0.779 62.413 63.100 0.153 0.000 0.814 345 P CB 0.780 32.555 31.700 0.125 0.000 1.311 346 W N -0.787 120.664 121.300 0.253 0.000 2.936 346 W HA 0.559 5.219 4.660 -0.000 0.000 0.338 346 W C -0.907 175.775 176.519 0.271 0.000 1.121 346 W CA -0.518 57.015 57.345 0.314 0.000 1.209 346 W CB 1.901 31.677 29.460 0.526 0.000 1.420 346 W HN 0.127 nan 8.180 nan 0.000 0.516 347 L N 2.358 123.872 121.223 0.485 0.000 2.346 347 L HA 0.484 4.824 4.340 -0.000 0.000 0.276 347 L C -0.324 176.618 176.870 0.119 0.000 1.006 347 L CA -0.637 54.362 54.840 0.266 0.000 0.817 347 L CB 1.653 43.792 42.059 0.133 0.000 1.272 347 L HN 0.458 nan 8.230 nan 0.000 0.421 348 E N 3.783 123.981 120.200 -0.004 0.000 2.174 348 E HA 0.182 4.532 4.350 -0.000 0.000 0.282 348 E C -1.298 175.216 176.600 -0.142 0.000 0.992 348 E CA -0.536 55.635 56.400 -0.382 0.000 0.803 348 E CB 0.574 30.248 29.700 -0.042 0.000 1.090 348 E HN 0.673 nan 8.360 nan 0.000 0.396 349 H N 5.127 123.991 119.070 -0.343 0.000 2.457 349 H HA 0.369 4.925 4.556 -0.000 0.000 0.335 349 H C -1.621 173.586 175.328 -0.203 0.000 1.115 349 H CA -0.373 55.582 56.048 -0.155 0.000 1.219 349 H CB 0.483 30.165 29.762 -0.133 0.000 1.471 349 H HN 0.475 nan 8.280 nan 0.000 0.491 350 F N 2.304 121.648 119.950 -1.010 0.000 2.601 350 F HA 0.117 4.644 4.527 -0.000 0.000 0.309 350 F C 1.071 176.350 175.800 -0.867 0.000 1.089 350 F CA -0.720 56.767 58.000 -0.855 0.000 0.940 350 F CB 2.031 40.597 39.000 -0.723 0.000 1.273 350 F HN 0.602 nan 8.300 nan 0.000 0.450 351 E N 0.882 120.947 120.200 -0.225 0.000 2.472 351 E HA -0.043 4.307 4.350 -0.000 0.000 0.196 351 E C 1.006 177.759 176.600 0.255 0.000 1.033 351 E CA 0.307 56.742 56.400 0.058 0.000 0.886 351 E CB -0.092 29.746 29.700 0.230 0.000 0.944 351 E HN 0.662 nan 8.360 nan 0.000 0.492 352 W N 1.999 123.352 121.300 0.088 0.000 2.290 352 W HA -0.135 4.525 4.660 -0.000 0.000 0.311 352 W C 2.083 178.590 176.519 -0.019 0.000 1.238 352 W CA 0.848 58.228 57.345 0.058 0.000 1.255 352 W CB -0.987 28.540 29.460 0.112 0.000 1.145 352 W HN 0.089 nan 8.180 nan 0.000 0.506 353 L N 0.379 121.687 121.223 0.142 0.000 2.591 353 L HA -0.008 4.332 4.340 -0.000 0.000 0.228 353 L C 1.844 178.704 176.870 -0.018 0.000 1.133 353 L CA 0.111 54.932 54.840 -0.032 0.000 0.880 353 L CB -0.813 41.152 42.059 -0.156 0.000 1.033 353 L HN -0.059 nan 8.230 nan 0.000 0.450 354 N N 1.321 120.074 118.700 0.088 0.000 2.060 354 N HA -0.167 4.573 4.740 -0.000 0.000 0.195 354 N C -0.722 174.839 175.510 0.085 0.000 1.028 354 N CA 1.568 54.699 53.050 0.135 0.000 0.861 354 N CB -1.483 37.100 38.487 0.159 0.000 1.029 354 N HN 0.256 nan 8.380 nan 0.000 0.428 355 P HA -0.027 nan 4.420 nan 0.000 0.225 355 P C 1.322 178.544 177.300 -0.129 0.000 1.148 355 P CA 0.687 63.803 63.100 0.027 0.000 0.779 355 P CB -0.019 31.795 31.700 0.190 0.000 0.780 356 L N -3.072 117.960 121.223 -0.318 0.000 2.291 356 L HA 0.001 4.341 4.340 -0.000 0.000 0.214 356 L C 0.539 176.919 176.870 -0.815 0.000 1.120 356 L CA 0.662 55.085 54.840 -0.695 0.000 0.799 356 L CB -0.377 40.941 42.059 -1.235 0.000 0.925 356 L HN -0.068 nan 8.230 nan 0.000 0.446 357 F N -1.728 118.212 119.950 -0.017 0.000 2.579 357 F HA 0.292 4.819 4.527 -0.000 0.000 0.324 357 F C 1.088 176.949 175.800 0.101 0.000 1.058 357 F CA -1.040 56.998 58.000 0.064 0.000 0.944 357 F CB 0.804 39.873 39.000 0.114 0.000 1.245 357 F HN -0.272 nan 8.300 nan 0.000 0.477 358 N N -0.421 118.472 118.700 0.322 0.000 2.354 358 N HA -0.026 4.714 4.740 -0.000 0.000 0.179 358 N C -0.633 175.003 175.510 0.211 0.000 1.021 358 N CA 0.519 53.687 53.050 0.197 0.000 0.887 358 N CB 0.120 38.692 38.487 0.142 0.000 0.974 358 N HN 0.537 nan 8.380 nan 0.000 0.437 359 E N 0.578 120.960 120.200 0.305 0.000 2.214 359 E HA 0.289 4.639 4.350 -0.000 0.000 0.274 359 E C -0.615 176.196 176.600 0.351 0.000 0.977 359 E CA -0.490 56.048 56.400 0.231 0.000 0.827 359 E CB 1.073 30.817 29.700 0.073 0.000 1.130 359 E HN -0.045 nan 8.360 nan 0.000 0.394 360 Q N 1.237 121.178 119.800 0.236 0.000 2.345 360 Q HA 0.451 4.791 4.340 -0.000 0.000 0.268 360 Q C -0.449 175.676 176.000 0.208 0.000 1.054 360 Q CA -0.666 55.297 55.803 0.267 0.000 0.835 360 Q CB 1.888 30.741 28.738 0.192 0.000 1.339 360 Q HN 0.519 nan 8.270 nan 0.000 0.447 361 L N 1.108 122.484 121.223 0.255 0.000 2.417 361 L HA 0.204 4.544 4.340 -0.000 0.000 0.268 361 L C 0.817 177.782 176.870 0.159 0.000 1.158 361 L CA -0.193 54.761 54.840 0.189 0.000 0.819 361 L CB 0.475 42.671 42.059 0.228 0.000 1.112 361 L HN 0.594 nan 8.230 nan 0.000 0.458 362 E N 3.303 123.592 120.200 0.148 0.000 2.152 362 E HA 0.242 4.591 4.350 -0.000 0.000 0.285 362 E C -1.277 175.458 176.600 0.224 0.000 1.043 362 E CA -0.805 55.684 56.400 0.148 0.000 0.839 362 E CB 1.213 30.973 29.700 0.100 0.000 1.069 362 E HN 0.315 nan 8.360 nan 0.000 0.399 363 L N 5.828 127.154 121.223 0.171 0.000 2.265 363 L HA 0.484 4.824 4.340 -0.000 0.000 0.289 363 L C -0.964 176.012 176.870 0.176 0.000 1.033 363 L CA -0.157 54.787 54.840 0.174 0.000 0.814 363 L CB 0.953 43.061 42.059 0.082 0.000 1.203 363 L HN 0.652 nan 8.230 nan 0.000 0.423 364 R N 3.595 124.262 120.500 0.278 0.000 2.566 364 R HA 0.286 4.626 4.340 -0.000 0.000 0.271 364 R C -0.776 175.703 176.300 0.299 0.000 1.071 364 R CA -0.413 55.824 56.100 0.229 0.000 0.915 364 R CB 1.079 31.448 30.300 0.115 0.000 1.228 364 R HN 0.670 nan 8.270 nan 0.000 0.449 365 D N 2.704 123.219 120.400 0.191 0.000 2.708 365 D HA -0.166 4.474 4.640 -0.000 0.000 0.236 365 D C 0.733 177.128 176.300 0.157 0.000 1.146 365 D CA 2.511 56.618 54.000 0.178 0.000 0.662 365 D CB -0.948 39.975 40.800 0.206 0.000 1.059 365 D HN 1.069 nan 8.370 nan 0.000 0.428 366 G N -0.684 108.202 108.800 0.144 0.000 2.184 366 G HA2 -0.359 3.601 3.960 -0.000 0.000 0.264 366 G HA3 -0.359 3.601 3.960 -0.000 0.000 0.264 366 G C 0.417 175.333 174.900 0.028 0.000 0.975 366 G CA 0.621 45.780 45.100 0.098 0.000 0.642 366 G HN 0.683 nan 8.290 nan 0.000 0.536 367 R N -1.321 119.203 120.500 0.039 0.000 2.807 367 R HA 0.748 5.088 4.340 -0.000 0.000 0.276 367 R C -0.731 175.535 176.300 -0.056 0.000 0.979 367 R CA -1.166 54.864 56.100 -0.117 0.000 0.928 367 R CB 1.326 31.410 30.300 -0.359 0.000 1.191 367 R HN 0.128 nan 8.270 nan 0.000 0.471 368 M N 1.670 121.189 119.600 -0.133 0.000 2.180 368 M HA 0.319 4.799 4.480 -0.000 0.000 0.350 368 M C -1.695 174.521 176.300 -0.140 0.000 1.125 368 M CA -0.575 54.722 55.300 -0.005 0.000 1.031 368 M CB 0.749 33.360 32.600 0.018 0.000 1.623 368 M HN 0.426 nan 8.290 nan 0.000 0.451 369 W N 5.694 126.988 121.300 -0.010 0.000 2.438 369 W HA 0.538 5.198 4.660 -0.000 0.000 0.324 369 W C -0.496 175.998 176.519 -0.042 0.000 1.119 369 W CA -0.405 56.927 57.345 -0.021 0.000 1.221 369 W CB 0.419 29.872 29.460 -0.012 0.000 1.253 369 W HN 0.462 nan 8.180 nan 0.000 0.555 370 I N 3.783 124.428 120.570 0.125 0.000 2.452 370 I HA 0.044 4.214 4.170 -0.000 0.000 0.287 370 I C 1.042 177.219 176.117 0.100 0.000 1.079 370 I CA -0.228 61.095 61.300 0.038 0.000 1.387 370 I CB 0.152 38.156 38.000 0.006 0.000 1.404 370 I HN 0.436 nan 8.210 nan 0.000 0.522 371 S N 3.930 119.658 115.700 0.047 0.000 2.634 371 S HA 0.057 4.527 4.470 -0.000 0.000 0.261 371 S C 0.863 175.496 174.600 0.055 0.000 1.271 371 S CA -0.469 57.753 58.200 0.037 0.000 0.985 371 S CB 1.017 64.198 63.200 -0.031 0.000 0.968 371 S HN 0.746 nan 8.310 nan 0.000 0.568 372 D N -0.677 119.749 120.400 0.044 0.000 2.340 372 D HA -0.027 4.613 4.640 -0.000 0.000 0.220 372 D C 0.331 176.683 176.300 0.087 0.000 1.039 372 D CA -0.074 53.970 54.000 0.074 0.000 0.866 372 D CB -0.324 40.510 40.800 0.057 0.000 0.913 372 D HN 0.437 nan 8.370 nan 0.000 0.523 373 R N 0.519 121.028 120.500 0.016 0.000 2.623 373 R HA 0.167 4.507 4.340 -0.000 0.000 0.271 373 R C 0.249 176.614 176.300 0.108 0.000 1.043 373 R CA -0.074 56.004 56.100 -0.037 0.000 1.083 373 R CB 0.361 30.591 30.300 -0.116 0.000 0.974 373 R HN 0.362 nan 8.270 nan 0.000 0.436 374 H N 0.261 119.325 119.070 -0.011 0.000 2.690 374 H HA 0.155 4.711 4.556 -0.000 0.000 0.365 374 H C 1.351 176.660 175.328 -0.031 0.000 1.142 374 H CA -0.026 56.019 56.048 -0.005 0.000 1.417 374 H CB 0.826 30.601 29.762 0.023 0.000 1.446 374 H HN 0.849 nan 8.280 nan 0.000 0.599 375 G N 0.770 109.611 108.800 0.069 0.000 2.574 375 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.286 375 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.286 375 G C 0.940 175.727 174.900 -0.189 0.000 1.212 375 G CA 0.441 45.521 45.100 -0.034 0.000 0.979 375 G HN 0.568 nan 8.290 nan 0.000 0.557 376 L N 1.755 122.914 121.223 -0.106 0.000 2.201 376 L HA 0.258 4.598 4.340 -0.000 0.000 0.212 376 L C 2.468 179.354 176.870 0.026 0.000 1.105 376 L CA 1.366 56.188 54.840 -0.030 0.000 0.775 376 L CB -0.704 41.459 42.059 0.172 0.000 0.913 376 L HN 2.128 nan 8.230 nan 0.000 0.440 377 G N -0.466 108.281 108.800 -0.088 0.000 2.149 377 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.235 377 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.235 377 G C -0.211 174.323 174.900 -0.610 0.000 1.018 377 G CA -0.301 44.622 45.100 -0.295 0.000 0.728 377 G HN 0.177 nan 8.290 nan 0.000 0.508 378 F N -0.023 119.906 119.950 -0.036 0.000 2.588 378 F HA 0.756 5.283 4.527 -0.000 0.000 0.310 378 F C 0.451 176.292 175.800 0.068 0.000 1.082 378 F CA -0.161 57.794 58.000 -0.075 0.000 0.929 378 F CB 2.383 41.090 39.000 -0.490 0.000 1.254 378 F HN 0.289 nan 8.300 nan 0.000 0.455 379 T N 0.082 114.858 114.554 0.370 0.000 2.876 379 T HA 0.689 5.039 4.350 -0.000 0.000 0.289 379 T C -0.727 174.199 174.700 0.377 0.000 1.014 379 T CA -0.901 61.380 62.100 0.302 0.000 0.986 379 T CB 1.199 70.177 68.868 0.183 0.000 1.021 379 T HN 0.518 nan 8.240 nan 0.000 0.458 380 L N 3.372 124.771 121.223 0.294 0.000 2.499 380 L HA 0.318 4.658 4.340 -0.000 0.000 0.273 380 L C 1.358 178.284 176.870 0.094 0.000 1.195 380 L CA -0.432 54.521 54.840 0.189 0.000 0.882 380 L CB 0.524 42.666 42.059 0.138 0.000 1.133 380 L HN 0.998 nan 8.230 nan 0.000 0.483 381 S N 1.087 116.790 115.700 0.005 0.000 2.669 381 S HA 0.118 4.588 4.470 -0.000 0.000 0.270 381 S C 0.777 175.329 174.600 -0.079 0.000 1.225 381 S CA -0.594 57.585 58.200 -0.034 0.000 0.991 381 S CB 1.682 64.831 63.200 -0.086 0.000 0.987 381 S HN 0.651 nan 8.310 nan 0.000 0.552 382 E N 0.357 120.502 120.200 -0.092 0.000 2.150 382 E HA -0.145 4.205 4.350 -0.000 0.000 0.193 382 E C 1.965 178.443 176.600 -0.202 0.000 0.985 382 E CA 1.442 57.776 56.400 -0.110 0.000 0.814 382 E CB -0.446 29.196 29.700 -0.097 0.000 0.752 382 E HN 0.729 nan 8.360 nan 0.000 0.466 383 Q N 0.053 119.672 119.800 -0.303 0.000 2.124 383 Q HA -0.010 4.330 4.340 -0.000 0.000 0.202 383 Q C 1.931 177.603 176.000 -0.547 0.000 0.977 383 Q CA 1.936 57.389 55.803 -0.583 0.000 0.850 383 Q CB -0.659 27.631 28.738 -0.746 0.000 0.901 383 Q HN 0.333 nan 8.270 nan 0.000 0.429 384 A N 0.207 122.857 122.820 -0.282 0.000 1.933 384 A HA -0.174 4.146 4.320 -0.000 0.000 0.218 384 A C 1.952 179.510 177.584 -0.042 0.000 1.175 384 A CA 1.376 53.348 52.037 -0.109 0.000 0.628 384 A CB -0.364 18.555 19.000 -0.136 0.000 0.814 384 A HN 0.227 nan 8.150 nan 0.000 0.444 385 R N -0.437 120.019 120.500 -0.074 0.000 2.073 385 R HA 0.013 4.353 4.340 -0.000 0.000 0.229 385 R C 2.174 178.456 176.300 -0.029 0.000 1.120 385 R CA 1.248 57.332 56.100 -0.027 0.000 0.967 385 R CB -0.716 29.569 30.300 -0.025 0.000 0.862 385 R HN 0.554 nan 8.270 nan 0.000 0.436 386 R N -0.509 119.922 120.500 -0.115 0.000 2.096 386 R HA -0.110 4.230 4.340 -0.000 0.000 0.235 386 R C 1.516 177.836 176.300 0.032 0.000 1.127 386 R CA 1.059 57.091 56.100 -0.113 0.000 0.968 386 R CB -0.033 30.103 30.300 -0.274 0.000 0.861 386 R HN 0.252 nan 8.270 nan 0.000 0.440 387 W N 0.608 121.890 121.300 -0.030 0.000 3.180 387 W HA 0.122 4.782 4.660 -0.000 0.000 0.254 387 W C 0.081 176.596 176.519 -0.006 0.000 1.318 387 W CA 0.039 57.374 57.345 -0.017 0.000 1.608 387 W CB -0.459 28.977 29.460 -0.039 0.000 1.124 387 W HN -0.165 nan 8.180 nan 0.000 0.694 388 T N 1.351 116.008 114.554 0.172 0.000 2.814 388 T HA 0.070 4.420 4.350 -0.000 0.000 0.297 388 T C 1.189 175.936 174.700 0.078 0.000 0.956 388 T CA 0.364 62.514 62.100 0.084 0.000 1.123 388 T CB 1.610 70.504 68.868 0.043 0.000 0.902 388 T HN 0.121 nan 8.240 nan 0.000 0.528 389 Q N 1.933 121.769 119.800 0.059 0.000 2.394 389 Q HA 0.328 4.667 4.340 -0.000 0.000 0.218 389 Q C 0.024 176.013 176.000 -0.019 0.000 0.907 389 Q CA 0.493 56.331 55.803 0.057 0.000 0.919 389 Q CB 0.493 29.319 28.738 0.147 0.000 1.051 389 Q HN 0.533 nan 8.270 nan 0.000 0.538 390 L N -0.456 120.689 121.223 -0.130 0.000 2.388 390 L HA 0.626 4.966 4.340 -0.000 0.000 0.264 390 L C -0.566 176.208 176.870 -0.160 0.000 0.998 390 L CA -0.644 54.087 54.840 -0.182 0.000 0.817 390 L CB 2.557 44.382 42.059 -0.390 0.000 1.338 390 L HN -0.202 nan 8.230 nan 0.000 0.414 391 T N 0.476 115.056 114.554 0.044 0.000 2.840 391 T HA 0.701 5.051 4.350 -0.000 0.000 0.317 391 T C -1.661 173.138 174.700 0.165 0.000 1.401 391 T CA -0.434 61.751 62.100 0.143 0.000 1.028 391 T CB 1.347 70.261 68.868 0.078 0.000 1.317 391 T HN 0.939 nan 8.240 nan 0.000 0.495 392 C N 1.622 120.991 119.300 0.114 0.000 3.285 392 C HA 0.935 5.395 4.460 -0.000 0.000 0.325 392 C C -1.206 173.632 174.990 -0.254 0.000 1.304 392 C CA -0.847 58.118 59.018 -0.088 0.000 1.319 392 C CB 1.067 28.735 27.740 -0.120 0.000 1.640 392 C HN 1.010 nan 8.230 nan 0.000 0.477 393 E N -0.056 119.833 120.200 -0.520 0.000 2.393 393 E HA 0.784 5.134 4.350 -0.000 0.000 0.273 393 E C -1.787 174.254 176.600 -0.931 0.000 0.918 393 E CA -0.371 55.699 56.400 -0.550 0.000 0.773 393 E CB 2.474 32.080 29.700 -0.157 0.000 1.275 393 E HN 0.613 nan 8.360 nan 0.000 0.451 394 F N 0.030 119.841 119.950 -0.232 0.000 2.578 394 F HA 0.596 5.123 4.527 -0.000 0.000 0.311 394 F C 0.800 176.579 175.800 -0.035 0.000 1.094 394 F CA -0.068 57.865 58.000 -0.112 0.000 0.923 394 F CB 2.160 41.079 39.000 -0.135 0.000 1.230 394 F HN 0.735 nan 8.300 nan 0.000 0.450 395 G N 2.156 111.087 108.800 0.219 0.000 2.553 395 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.242 395 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.242 395 G C -1.143 173.951 174.900 0.323 0.000 1.277 395 G CA -0.276 44.968 45.100 0.240 0.000 0.910 395 G HN 0.868 nan 8.290 nan 0.000 0.576 396 K N 0.118 120.724 120.400 0.343 0.000 2.513 396 K HA 0.494 4.814 4.320 -0.000 0.000 0.251 396 K C 0.220 176.880 176.600 0.101 0.000 0.939 396 K CA -0.828 55.602 56.287 0.240 0.000 0.793 396 K CB 1.238 33.802 32.500 0.108 0.000 1.241 396 K HN 0.688 nan 8.250 nan 0.000 0.431 397 R N 3.517 123.861 120.500 -0.260 0.000 2.504 397 R HA 0.021 4.361 4.340 -0.000 0.000 0.291 397 R C -2.009 174.177 176.300 -0.190 0.000 0.974 397 R CA -0.863 54.936 56.100 -0.501 0.000 1.077 397 R CB -0.231 29.636 30.300 -0.722 0.000 0.926 397 R HN 0.434 nan 8.270 nan 0.000 0.407 398 P HA 0.000 nan 4.420 nan 0.000 0.216 398 P CA 0.000 63.067 63.100 -0.056 0.000 0.800 398 P CB 0.000 31.687 31.700 -0.022 0.000 0.726