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 2pp0_1_C 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 0.000 174.589 174.600 -0.018 0.000 1.055 4 S CA 0.000 58.192 58.200 -0.013 0.000 1.107 4 S CB 0.000 63.192 63.200 -0.013 0.000 0.593 5 A N 3.263 126.071 122.820 -0.021 0.000 2.308 5 A HA 0.394 4.714 4.320 0.000 0.000 0.217 5 A C 0.580 178.142 177.584 -0.036 0.000 1.216 5 A CA 0.531 52.551 52.037 -0.027 0.000 0.864 5 A CB -0.425 18.559 19.000 -0.026 0.000 0.902 5 A HN 1.028 nan 8.150 nan 0.000 0.499 6 N N -0.894 117.787 118.700 -0.032 0.000 2.972 6 N HA 0.550 5.290 4.740 0.000 0.000 0.262 6 N C -0.786 174.706 175.510 -0.029 0.000 1.478 6 N CA 0.370 53.397 53.050 -0.038 0.000 0.841 6 N CB 0.967 39.433 38.487 -0.036 0.000 1.512 6 N HN 0.258 nan 8.380 nan 0.000 0.548 7 S N -1.594 114.088 115.700 -0.029 0.000 2.790 7 S HA 0.380 4.850 4.470 0.000 0.000 0.292 7 S C -0.511 174.080 174.600 -0.016 0.000 1.197 7 S CA -0.484 57.705 58.200 -0.019 0.000 0.851 7 S CB 1.030 64.220 63.200 -0.018 0.000 1.217 7 S HN 0.366 nan 8.310 nan 0.000 0.526 8 D N 0.798 121.192 120.400 -0.010 0.000 2.269 8 D HA 0.362 5.002 4.640 0.000 0.000 0.208 8 D C 1.162 177.460 176.300 -0.003 0.000 0.963 8 D CA 1.521 55.518 54.000 -0.006 0.000 0.864 8 D CB -0.161 40.638 40.800 -0.002 0.000 0.936 8 D HN 0.680 nan 8.370 nan 0.000 0.505 9 A N -0.575 122.242 122.820 -0.004 0.000 3.792 9 A HA 0.672 4.992 4.320 0.000 0.000 0.176 9 A C -0.542 177.037 177.584 -0.008 0.000 1.354 9 A CA -0.292 51.747 52.037 0.003 0.000 1.480 9 A CB 0.819 19.827 19.000 0.013 0.000 1.585 9 A HN -0.002 nan 8.150 nan 0.000 0.640 10 V N 0.327 120.239 119.914 -0.003 0.000 2.777 10 V HA 0.609 4.729 4.120 0.000 0.000 0.306 10 V C -0.876 175.190 176.094 -0.047 0.000 1.112 10 V CA 0.351 62.622 62.300 -0.049 0.000 0.917 10 V CB 1.826 33.642 31.823 -0.011 0.000 1.018 10 V HN 1.405 nan 8.190 nan 0.000 0.426 11 T N 3.420 117.882 114.554 -0.153 0.000 2.885 11 T HA 0.768 5.118 4.350 0.000 0.000 0.285 11 T C -1.232 173.305 174.700 -0.272 0.000 1.019 11 T CA -0.489 61.556 62.100 -0.093 0.000 1.010 11 T CB 1.610 70.447 68.868 -0.052 0.000 1.022 11 T HN 0.546 nan 8.240 nan 0.000 0.466 12 Y N 0.770 121.070 120.300 -0.001 0.000 2.409 12 Y HA 0.644 5.194 4.550 0.000 0.000 0.343 12 Y C 0.638 176.537 175.900 -0.001 0.000 0.973 12 Y CA -0.959 57.140 58.100 -0.001 0.000 1.064 12 Y CB 1.934 40.393 38.460 -0.001 0.000 1.207 12 Y HN 1.115 nan 8.280 nan 0.000 0.452 13 A N 3.610 126.501 122.820 0.118 0.000 2.332 13 A HA 0.564 4.884 4.320 0.000 0.000 0.258 13 A C -0.496 177.138 177.584 0.082 0.000 1.087 13 A CA -0.706 51.374 52.037 0.072 0.000 0.802 13 A CB 0.425 19.448 19.000 0.038 0.000 1.042 13 A HN 0.551 nan 8.150 nan 0.000 0.489 14 K N 0.742 121.173 120.400 0.051 0.000 2.235 14 K HA 0.574 4.894 4.320 0.000 0.000 0.266 14 K C -0.157 176.460 176.600 0.029 0.000 0.980 14 K CA -0.183 56.128 56.287 0.040 0.000 0.849 14 K CB 1.689 34.206 32.500 0.030 0.000 1.098 14 K HN 0.778 nan 8.250 nan 0.000 0.445 15 A N 1.735 124.571 122.820 0.026 0.000 2.322 15 A HA 0.585 4.905 4.320 0.000 0.000 0.269 15 A C 0.757 178.349 177.584 0.014 0.000 1.094 15 A CA 0.290 52.339 52.037 0.019 0.000 0.807 15 A CB 0.771 19.782 19.000 0.018 0.000 1.047 15 A HN 0.789 nan 8.150 nan 0.000 0.487 16 A N 1.194 124.021 122.820 0.011 0.000 1.983 16 A HA 0.173 4.493 4.320 0.000 0.000 0.207 16 A C 1.132 178.720 177.584 0.007 0.000 1.412 16 A CA 0.523 52.565 52.037 0.009 0.000 0.750 16 A CB -0.583 18.422 19.000 0.008 0.000 1.047 16 A HN 0.875 nan 8.150 nan 0.000 0.504 17 N N 1.450 120.154 118.700 0.007 0.000 2.498 17 N HA 0.044 4.784 4.740 0.000 0.000 0.277 17 N C -0.014 175.499 175.510 0.006 0.000 1.208 17 N CA 0.201 53.255 53.050 0.006 0.000 1.029 17 N CB 0.242 38.732 38.487 0.006 0.000 1.403 17 N HN 0.292 nan 8.380 nan 0.000 0.500 18 T N 1.171 115.729 114.554 0.005 0.000 3.163 18 T HA -0.058 4.292 4.350 0.000 0.000 0.260 18 T C 0.935 175.637 174.700 0.004 0.000 1.156 18 T CA 0.320 62.422 62.100 0.004 0.000 1.072 18 T CB -0.098 68.772 68.868 0.003 0.000 0.937 18 T HN 0.442 nan 8.240 nan 0.000 0.528 19 R N 2.952 123.454 120.500 0.004 0.000 2.389 19 R HA 0.261 4.601 4.340 0.000 0.000 0.295 19 R C 0.422 176.724 176.300 0.003 0.000 1.075 19 R CA 0.000 56.102 56.100 0.004 0.000 1.005 19 R CB 0.422 30.725 30.300 0.005 0.000 0.987 19 R HN 0.280 nan 8.270 nan 0.000 0.452 20 T N 0.544 115.099 114.554 0.002 0.000 2.944 20 T HA 0.452 4.802 4.350 0.000 0.000 0.284 20 T C 1.108 175.808 174.700 -0.000 0.000 1.010 20 T CA -0.406 61.694 62.100 0.001 0.000 1.025 20 T CB 1.855 70.723 68.868 -0.000 0.000 1.079 20 T HN 0.571 nan 8.240 nan 0.000 0.516 21 A N 0.780 123.599 122.820 -0.003 0.000 1.969 21 A HA 0.295 4.615 4.320 0.000 0.000 0.218 21 A C 2.521 180.102 177.584 -0.005 0.000 1.169 21 A CA 1.459 53.493 52.037 -0.005 0.000 0.635 21 A CB -1.403 17.591 19.000 -0.009 0.000 0.810 21 A HN 1.210 nan 8.150 nan 0.000 0.445 22 A N 0.926 123.743 122.820 -0.004 0.000 1.902 22 A HA -0.169 4.151 4.320 0.000 0.000 0.217 22 A C 1.956 179.540 177.584 -0.001 0.000 1.181 22 A CA 1.603 53.638 52.037 -0.004 0.000 0.623 22 A CB -0.506 18.491 19.000 -0.004 0.000 0.818 22 A HN 0.768 nan 8.150 nan 0.000 0.443 23 E N -0.499 119.702 120.200 0.001 0.000 2.435 23 E HA -0.073 4.277 4.350 0.000 0.000 0.195 23 E C 1.336 177.940 176.600 0.007 0.000 1.029 23 E CA 1.299 57.702 56.400 0.004 0.000 0.865 23 E CB -0.401 29.301 29.700 0.003 0.000 0.833 23 E HN 0.607 nan 8.360 nan 0.000 0.510 24 T N -2.405 112.153 114.554 0.007 0.000 3.010 24 T HA 0.267 4.617 4.350 0.000 0.000 0.257 24 T C 1.060 175.768 174.700 0.013 0.000 1.020 24 T CA 0.014 62.120 62.100 0.011 0.000 0.938 24 T CB 0.455 69.328 68.868 0.010 0.000 1.049 24 T HN 0.157 nan 8.240 nan 0.000 0.522 25 G N 1.171 109.976 108.800 0.007 0.000 2.594 25 G HA2 0.340 4.300 3.960 0.000 0.000 0.243 25 G HA3 0.340 4.300 3.960 0.000 0.000 0.243 25 G C -0.343 174.568 174.900 0.019 0.000 1.229 25 G CA -0.359 44.744 45.100 0.006 0.000 0.843 25 G HN 0.270 nan 8.290 nan 0.000 0.578 26 D N -0.507 119.908 120.400 0.025 0.000 2.363 26 D HA 0.253 4.893 4.640 0.000 0.000 0.240 26 D C 0.373 176.697 176.300 0.039 0.000 1.236 26 D CA 0.241 54.272 54.000 0.051 0.000 0.927 26 D CB 0.529 41.374 40.800 0.074 0.000 1.150 26 D HN 0.137 nan 8.370 nan 0.000 0.458 27 R N 1.113 121.646 120.500 0.056 0.000 2.651 27 R HA 0.391 4.731 4.340 0.000 0.000 0.278 27 R C -0.637 175.703 176.300 0.066 0.000 1.010 27 R CA -0.762 55.367 56.100 0.047 0.000 0.896 27 R CB 1.099 31.425 30.300 0.042 0.000 1.211 27 R HN 0.452 nan 8.270 nan 0.000 0.456 28 I N 2.554 123.158 120.570 0.057 0.000 2.471 28 I HA 0.042 4.212 4.170 0.000 0.000 0.286 28 I C 1.218 177.393 176.117 0.096 0.000 1.079 28 I CA 0.592 61.938 61.300 0.076 0.000 1.398 28 I CB 0.710 38.736 38.000 0.044 0.000 1.403 28 I HN 0.559 nan 8.210 nan 0.000 0.530 29 E N 4.339 124.627 120.200 0.147 0.000 2.485 29 E HA 0.060 4.410 4.350 0.000 0.000 0.213 29 E C -0.714 176.057 176.600 0.285 0.000 0.923 29 E CA -0.059 56.445 56.400 0.172 0.000 1.054 29 E CB 0.999 30.787 29.700 0.146 0.000 1.077 29 E HN 0.611 nan 8.360 nan 0.000 0.509 30 W N 0.698 122.039 121.300 0.068 0.000 3.256 30 W HA 0.442 5.101 4.660 -0.001 0.000 0.324 30 W C -1.905 174.677 176.519 0.106 0.000 1.196 30 W CA -0.518 56.880 57.345 0.089 0.000 1.206 30 W CB 1.297 30.798 29.460 0.069 0.000 1.385 30 W HN -0.379 nan 8.180 nan 0.000 0.522 31 V N 5.099 124.677 119.914 -0.561 0.000 2.808 31 V HA 0.476 4.596 4.120 0.000 0.000 0.308 31 V C -0.934 174.648 176.094 -0.853 0.000 1.099 31 V CA -1.266 60.704 62.300 -0.551 0.000 0.920 31 V CB 1.868 33.586 31.823 -0.175 0.000 1.014 31 V HN 0.449 nan 8.190 nan 0.000 0.425 32 K N 4.431 124.356 120.400 -0.792 0.000 2.397 32 K HA 0.779 5.099 4.320 0.000 0.000 0.253 32 K C -1.814 174.713 176.600 -0.121 0.000 0.932 32 K CA -0.632 55.355 56.287 -0.499 0.000 0.795 32 K CB 1.800 33.971 32.500 -0.548 0.000 1.159 32 K HN 0.648 nan 8.250 nan 0.000 0.424 33 L N 2.157 123.400 121.223 0.034 0.000 2.334 33 L HA 0.547 4.887 4.340 0.000 0.000 0.273 33 L C -0.577 176.456 176.870 0.271 0.000 1.013 33 L CA -0.857 54.079 54.840 0.160 0.000 0.816 33 L CB 2.204 44.365 42.059 0.170 0.000 1.278 33 L HN 0.641 nan 8.230 nan 0.000 0.431 34 S N 2.459 118.313 115.700 0.258 0.000 2.540 34 S HA 0.600 5.070 4.470 0.000 0.000 0.275 34 S C -1.304 173.286 174.600 -0.017 0.000 1.123 34 S CA -0.506 57.765 58.200 0.117 0.000 0.907 34 S CB 2.419 65.656 63.200 0.061 0.000 1.081 34 S HN 0.396 nan 8.310 nan 0.000 0.476 35 L N 3.065 124.080 121.223 -0.348 0.000 2.316 35 L HA 0.877 5.217 4.340 0.000 0.000 0.280 35 L C -0.306 176.365 176.870 -0.330 0.000 1.006 35 L CA -0.163 54.417 54.840 -0.434 0.000 0.836 35 L CB 0.392 41.983 42.059 -0.780 0.000 1.221 35 L HN 0.822 nan 8.230 nan 0.000 0.418 36 A N 4.067 126.691 122.820 -0.327 0.000 2.350 36 A HA 0.870 5.190 4.320 0.000 0.000 0.318 36 A C -1.489 175.800 177.584 -0.490 0.000 1.132 36 A CA -0.431 51.478 52.037 -0.214 0.000 0.811 36 A CB 0.926 19.898 19.000 -0.046 0.000 1.313 36 A HN 0.537 nan 8.150 nan 0.000 0.454 37 F N 0.090 119.983 119.950 -0.096 0.000 2.536 37 F HA 0.443 4.970 4.527 -0.000 0.000 0.322 37 F C -0.357 175.147 175.800 -0.494 0.000 1.144 37 F CA -0.346 57.524 58.000 -0.218 0.000 0.924 37 F CB 2.076 40.960 39.000 -0.194 0.000 1.181 37 F HN 0.400 nan 8.300 nan 0.000 0.438 38 L N 7.726 128.718 121.223 -0.384 0.000 2.295 38 L HA 0.483 4.823 4.340 0.000 0.000 0.288 38 L C -2.229 174.233 176.870 -0.679 0.000 1.079 38 L CA -1.830 52.543 54.840 -0.779 0.000 0.830 38 L CB 0.339 42.133 42.059 -0.443 0.000 1.200 38 L HN 0.220 nan 8.230 nan 0.000 0.438 39 P HA 0.114 nan 4.420 nan 0.000 0.276 39 P C -1.137 175.896 177.300 -0.446 0.000 1.230 39 P CA -0.133 62.655 63.100 -0.520 0.000 0.776 39 P CB 0.952 32.393 31.700 -0.431 0.000 0.888 40 L N 3.074 124.055 121.223 -0.405 0.000 2.301 40 L HA 0.341 4.681 4.340 0.000 0.000 0.278 40 L C 1.695 178.387 176.870 -0.297 0.000 1.022 40 L CA -0.705 53.876 54.840 -0.431 0.000 0.854 40 L CB 1.299 42.993 42.059 -0.608 0.000 1.226 40 L HN 0.360 nan 8.230 nan 0.000 0.429 41 A N 2.062 124.755 122.820 -0.211 0.000 1.940 41 A HA -0.086 4.234 4.320 0.000 0.000 0.219 41 A C 1.126 178.620 177.584 -0.150 0.000 1.176 41 A CA 1.397 53.349 52.037 -0.142 0.000 0.631 41 A CB -0.308 18.645 19.000 -0.078 0.000 0.814 41 A HN 0.592 nan 8.150 nan 0.000 0.446 42 T N 2.085 116.532 114.554 -0.178 0.000 2.781 42 T HA 0.459 4.810 4.350 0.000 0.000 0.305 42 T C -2.690 171.808 174.700 -0.336 0.000 1.001 42 T CA -1.027 60.958 62.100 -0.193 0.000 0.950 42 T CB 1.138 69.944 68.868 -0.103 0.000 0.955 42 T HN 0.064 nan 8.240 nan 0.000 0.471 43 P HA 0.059 nan 4.420 nan 0.000 0.263 43 P C -0.727 176.204 177.300 -0.614 0.000 1.175 43 P CA -0.103 62.774 63.100 -0.371 0.000 0.761 43 P CB 0.435 31.983 31.700 -0.255 0.000 0.794 44 V N 3.697 123.297 119.914 -0.522 0.000 2.435 44 V HA 0.401 4.521 4.120 0.000 0.000 0.290 44 V C 0.170 176.152 176.094 -0.187 0.000 1.030 44 V CA -0.028 61.947 62.300 -0.543 0.000 0.881 44 V CB 1.673 33.192 31.823 -0.507 0.000 0.983 44 V HN 0.458 nan 8.190 nan 0.000 0.445 45 S N 3.157 118.962 115.700 0.175 0.000 2.594 45 S HA 0.599 5.069 4.470 0.000 0.000 0.296 45 S C -0.788 174.089 174.600 0.460 0.000 1.124 45 S CA -0.906 57.448 58.200 0.257 0.000 1.011 45 S CB 1.607 64.929 63.200 0.203 0.000 1.016 45 S HN 0.982 nan 8.310 nan 0.000 0.485 46 D N 1.593 122.221 120.400 0.381 0.000 2.627 46 D HA 0.648 5.288 4.640 0.000 0.000 0.259 46 D C 1.251 177.638 176.300 0.145 0.000 1.164 46 D CA -0.695 53.505 54.000 0.333 0.000 1.087 46 D CB -0.150 40.855 40.800 0.341 0.000 1.217 46 D HN 0.371 nan 8.370 nan 0.000 0.630 47 A N -0.496 122.354 122.820 0.049 0.000 2.024 47 A HA -0.202 4.118 4.320 0.000 0.000 0.220 47 A C 1.836 179.427 177.584 0.012 0.000 1.164 47 A CA 1.533 53.566 52.037 -0.008 0.000 0.643 47 A CB -0.840 18.090 19.000 -0.116 0.000 0.806 47 A HN 0.531 nan 8.150 nan 0.000 0.451 48 K N -0.509 119.911 120.400 0.033 0.000 2.147 48 K HA -0.077 4.243 4.320 0.000 0.000 0.205 48 K C 1.768 178.393 176.600 0.042 0.000 1.049 48 K CA 1.417 57.724 56.287 0.034 0.000 0.936 48 K CB -0.270 32.258 32.500 0.047 0.000 0.722 48 K HN 0.373 nan 8.250 nan 0.000 0.446 49 V N 0.992 120.942 119.914 0.060 0.000 2.346 49 V HA -0.166 3.955 4.120 0.000 0.000 0.244 49 V C 1.989 178.110 176.094 0.046 0.000 1.037 49 V CA 1.176 63.507 62.300 0.053 0.000 1.029 49 V CB -0.287 31.576 31.823 0.066 0.000 0.663 49 V HN 0.139 nan 8.190 nan 0.000 0.454 50 L N 1.058 122.313 121.223 0.054 0.000 2.191 50 L HA -0.136 4.204 4.340 0.000 0.000 0.212 50 L C 2.547 179.440 176.870 0.038 0.000 1.103 50 L CA 2.391 57.259 54.840 0.047 0.000 0.769 50 L CB -1.161 40.928 42.059 0.050 0.000 0.908 50 L HN 0.620 nan 8.230 nan 0.000 0.438 51 T N -4.587 109.987 114.554 0.033 0.000 3.100 51 T HA 0.303 4.653 4.350 0.000 0.000 0.253 51 T C 1.501 176.218 174.700 0.028 0.000 1.118 51 T CA 0.423 62.541 62.100 0.031 0.000 1.058 51 T CB 0.082 68.967 68.868 0.028 0.000 0.953 51 T HN 0.396 nan 8.240 nan 0.000 0.515 52 G N 1.754 110.570 108.800 0.027 0.000 2.157 52 G HA2 -0.266 3.694 3.960 0.000 0.000 0.248 52 G HA3 -0.266 3.694 3.960 0.000 0.000 0.248 52 G C 1.104 176.016 174.900 0.020 0.000 0.979 52 G CA 0.143 45.257 45.100 0.022 0.000 0.650 52 G HN 0.426 nan 8.290 nan 0.000 0.529 53 R N -0.149 120.364 120.500 0.022 0.000 2.148 53 R HA 0.112 4.452 4.340 0.000 0.000 0.223 53 R C 1.270 177.582 176.300 0.020 0.000 1.088 53 R CA 1.311 57.423 56.100 0.021 0.000 0.985 53 R CB -0.024 30.290 30.300 0.023 0.000 0.880 53 R HN 0.703 nan 8.270 nan 0.000 0.451 54 Q N -0.770 119.043 119.800 0.022 0.000 2.626 54 Q HA 0.361 4.701 4.340 0.000 0.000 0.300 54 Q C -0.845 175.163 176.000 0.013 0.000 0.988 54 Q CA -0.951 54.863 55.803 0.018 0.000 0.761 54 Q CB 2.096 30.850 28.738 0.027 0.000 1.494 54 Q HN -0.262 nan 8.270 nan 0.000 0.439 55 K N 0.822 121.223 120.400 0.002 0.000 2.106 55 K HA 0.523 4.843 4.320 0.000 0.000 0.246 55 K C -2.457 174.131 176.600 -0.020 0.000 0.987 55 K CA -1.989 54.291 56.287 -0.011 0.000 0.904 55 K CB 0.388 32.874 32.500 -0.023 0.000 1.071 55 K HN 0.327 nan 8.250 nan 0.000 0.453 56 P HA -0.022 nan 4.420 nan 0.000 0.266 56 P C -0.507 176.734 177.300 -0.098 0.000 1.193 56 P CA -0.291 62.768 63.100 -0.069 0.000 0.770 56 P CB 0.349 31.991 31.700 -0.096 0.000 0.836 57 L N 3.330 124.475 121.223 -0.131 0.000 2.290 57 L HA 0.282 4.622 4.340 0.000 0.000 0.284 57 L C 1.017 177.740 176.870 -0.245 0.000 1.078 57 L CA 0.813 55.557 54.840 -0.159 0.000 0.815 57 L CB 0.375 42.343 42.059 -0.152 0.000 1.162 57 L HN 0.484 nan 8.230 nan 0.000 0.435 58 T N 0.398 114.821 114.554 -0.218 0.000 3.040 58 T HA 0.324 4.674 4.350 0.000 0.000 0.266 58 T C 0.091 174.627 174.700 -0.273 0.000 1.005 58 T CA 0.272 62.223 62.100 -0.249 0.000 0.906 58 T CB -0.198 68.553 68.868 -0.194 0.000 1.082 58 T HN 0.704 nan 8.240 nan 0.000 0.531 59 E N -0.290 119.764 120.200 -0.245 0.000 2.409 59 E HA 0.546 4.896 4.350 0.000 0.000 0.280 59 E C -2.219 174.311 176.600 -0.117 0.000 1.079 59 E CA -1.189 55.081 56.400 -0.217 0.000 0.840 59 E CB 1.446 31.058 29.700 -0.146 0.000 1.309 59 E HN -0.016 nan 8.360 nan 0.000 0.447 60 V N 0.675 120.540 119.914 -0.080 0.000 2.531 60 V HA 0.689 4.809 4.120 0.000 0.000 0.301 60 V C -0.124 175.986 176.094 0.027 0.000 1.034 60 V CA -0.374 61.937 62.300 0.018 0.000 0.865 60 V CB 1.387 33.214 31.823 0.008 0.000 0.995 60 V HN 0.866 nan 8.190 nan 0.000 0.424 61 A N 6.296 129.136 122.820 0.034 0.000 2.401 61 A HA 0.754 5.074 4.320 0.000 0.000 0.259 61 A C -0.450 177.053 177.584 -0.136 0.000 1.103 61 A CA -0.156 51.679 52.037 -0.338 0.000 0.789 61 A CB 0.096 18.947 19.000 -0.248 0.000 1.035 61 A HN 0.622 nan 8.150 nan 0.000 0.491 62 I N 3.447 123.863 120.570 -0.256 0.000 2.447 62 I HA 0.305 4.476 4.170 0.000 0.000 0.287 62 I C -1.031 175.055 176.117 -0.052 0.000 1.023 62 I CA -0.462 60.804 61.300 -0.056 0.000 1.083 62 I CB 1.378 39.299 38.000 -0.131 0.000 1.245 62 I HN 0.404 nan 8.210 nan 0.000 0.434 63 I N 7.387 128.018 120.570 0.102 0.000 2.328 63 I HA 0.398 4.568 4.170 0.000 0.000 0.287 63 I C 0.195 176.436 176.117 0.207 0.000 1.012 63 I CA -0.039 61.341 61.300 0.133 0.000 1.195 63 I CB 0.919 39.018 38.000 0.165 0.000 1.350 63 I HN 0.286 nan 8.210 nan 0.000 0.464 64 I N 5.182 125.857 120.570 0.175 0.000 2.437 64 I HA 0.767 4.937 4.170 0.000 0.000 0.298 64 I C 0.201 176.418 176.117 0.167 0.000 0.984 64 I CA -0.656 60.766 61.300 0.203 0.000 1.214 64 I CB 1.650 39.745 38.000 0.159 0.000 1.365 64 I HN 0.613 nan 8.210 nan 0.000 0.469 65 A N 5.165 128.079 122.820 0.158 0.000 2.356 65 A HA 0.700 5.020 4.320 0.000 0.000 0.310 65 A C -0.823 176.821 177.584 0.099 0.000 1.075 65 A CA -0.534 51.558 52.037 0.092 0.000 0.746 65 A CB 0.912 19.948 19.000 0.061 0.000 1.221 65 A HN 0.762 nan 8.150 nan 0.000 0.443 66 E N 1.775 122.003 120.200 0.048 0.000 2.199 66 E HA 0.594 4.944 4.350 0.000 0.000 0.265 66 E C -1.300 175.326 176.600 0.043 0.000 0.882 66 E CA -0.265 56.197 56.400 0.104 0.000 0.759 66 E CB 2.237 32.046 29.700 0.182 0.000 1.148 66 E HN 0.620 nan 8.360 nan 0.000 0.412 67 I N 2.386 123.041 120.570 0.142 0.000 2.545 67 I HA 0.487 4.657 4.170 0.000 0.000 0.292 67 I C -0.280 175.998 176.117 0.269 0.000 1.040 67 I CA -0.834 60.555 61.300 0.149 0.000 1.068 67 I CB 1.891 39.941 38.000 0.083 0.000 1.251 67 I HN 0.263 nan 8.210 nan 0.000 0.424 68 R N 3.048 123.758 120.500 0.349 0.000 2.621 68 R HA 0.568 4.908 4.340 0.000 0.000 0.292 68 R C -0.732 175.706 176.300 0.231 0.000 0.969 68 R CA -0.645 55.642 56.100 0.311 0.000 0.887 68 R CB 2.565 33.082 30.300 0.360 0.000 1.180 68 R HN 0.804 nan 8.270 nan 0.000 0.450 69 S N 1.004 116.817 115.700 0.188 0.000 2.638 69 S HA 0.278 4.748 4.470 0.000 0.000 0.298 69 S C 1.017 175.688 174.600 0.118 0.000 1.111 69 S CA -0.935 57.361 58.200 0.159 0.000 1.027 69 S CB 2.273 65.590 63.200 0.194 0.000 1.064 69 S HN 0.801 nan 8.310 nan 0.000 0.525 70 R N 0.474 121.034 120.500 0.099 0.000 2.096 70 R HA -0.147 4.193 4.340 0.000 0.000 0.240 70 R C 0.185 176.514 176.300 0.048 0.000 1.139 70 R CA 2.112 58.252 56.100 0.066 0.000 0.952 70 R CB -0.688 29.648 30.300 0.060 0.000 0.854 70 R HN 0.746 nan 8.270 nan 0.000 0.436 71 D N -0.887 119.563 120.400 0.084 0.000 2.338 71 D HA 0.078 4.718 4.640 0.000 0.000 0.239 71 D C 0.740 176.985 176.300 -0.092 0.000 1.095 71 D CA 1.086 55.121 54.000 0.058 0.000 0.888 71 D CB 0.366 41.269 40.800 0.170 0.000 0.899 71 D HN 0.604 nan 8.370 nan 0.000 0.525 72 G N 0.197 108.936 108.800 -0.102 0.000 2.130 72 G HA2 -0.256 3.705 3.960 0.000 0.000 0.216 72 G HA3 -0.256 3.705 3.960 0.000 0.000 0.216 72 G C -0.066 174.587 174.900 -0.412 0.000 0.999 72 G CA -0.533 44.414 45.100 -0.256 0.000 0.686 72 G HN 0.220 nan 8.290 nan 0.000 0.515 73 F N 0.800 120.776 119.950 0.043 0.000 2.470 73 F HA 0.736 5.263 4.527 0.000 0.000 0.329 73 F C 0.423 176.268 175.800 0.075 0.000 1.072 73 F CA -0.867 57.164 58.000 0.052 0.000 0.989 73 F CB 1.645 40.669 39.000 0.040 0.000 1.193 73 F HN 0.199 nan 8.300 nan 0.000 0.481 74 E N 1.123 121.490 120.200 0.279 0.000 2.340 74 E HA 0.700 5.050 4.350 0.000 0.000 0.273 74 E C -1.488 175.236 176.600 0.206 0.000 0.891 74 E CA -0.956 55.578 56.400 0.222 0.000 0.757 74 E CB 1.962 31.774 29.700 0.187 0.000 1.231 74 E HN 0.696 nan 8.360 nan 0.000 0.439 75 G N 0.406 109.316 108.800 0.185 0.000 2.620 75 G HA2 0.568 4.528 3.960 0.000 0.000 0.301 75 G HA3 0.568 4.528 3.960 0.000 0.000 0.301 75 G C -1.523 173.475 174.900 0.165 0.000 1.347 75 G CA -0.554 44.639 45.100 0.156 0.000 0.971 75 G HN 0.433 nan 8.290 nan 0.000 0.488 76 V N 0.507 120.521 119.914 0.168 0.000 2.789 76 V HA 1.007 5.127 4.120 0.000 0.000 0.311 76 V C 0.077 176.285 176.094 0.191 0.000 1.073 76 V CA 0.443 62.860 62.300 0.195 0.000 0.921 76 V CB 1.903 33.867 31.823 0.235 0.000 1.009 76 V HN 1.557 nan 8.190 nan 0.000 0.426 77 G N 4.318 113.244 108.800 0.209 0.000 2.660 77 G HA2 0.816 4.776 3.960 0.000 0.000 0.290 77 G HA3 0.816 4.776 3.960 0.000 0.000 0.290 77 G C -1.608 173.448 174.900 0.261 0.000 1.432 77 G CA -0.185 45.008 45.100 0.156 0.000 0.807 77 G HN 1.578 nan 8.290 nan 0.000 0.485 78 F N -0.780 119.230 119.950 0.100 0.000 2.713 78 F HA 0.871 5.398 4.527 0.000 0.000 0.311 78 F C -0.227 175.645 175.800 0.121 0.000 1.141 78 F CA -0.830 57.236 58.000 0.111 0.000 0.939 78 F CB 1.411 40.489 39.000 0.130 0.000 1.325 78 F HN 0.911 nan 8.300 nan 0.000 0.453 79 S N 0.541 116.450 115.700 0.349 0.000 2.810 79 S HA 0.942 5.412 4.470 0.000 0.000 0.315 79 S C -1.367 173.518 174.600 0.474 0.000 1.138 79 S CA -0.318 58.048 58.200 0.276 0.000 0.889 79 S CB 2.377 65.642 63.200 0.108 0.000 1.236 79 S HN 1.725 nan 8.310 nan 0.000 0.548 80 Y N -2.090 118.359 120.300 0.249 0.000 2.764 80 Y HA 0.835 5.385 4.550 -0.000 0.000 0.331 80 Y C -1.013 174.983 175.900 0.159 0.000 1.280 80 Y CA -0.811 57.418 58.100 0.214 0.000 1.065 80 Y CB 1.051 39.709 38.460 0.329 0.000 1.319 80 Y HN 0.919 nan 8.280 nan 0.000 0.453 81 S N 0.548 116.368 115.700 0.199 0.000 2.566 81 S HA 0.501 4.971 4.470 0.000 0.000 0.273 81 S C -2.074 172.681 174.600 0.258 0.000 1.157 81 S CA -0.932 57.322 58.200 0.090 0.000 0.938 81 S CB 1.029 64.254 63.200 0.041 0.000 1.087 81 S HN 0.639 nan 8.310 nan 0.000 0.474 82 K N 3.463 124.007 120.400 0.240 0.000 2.334 82 K HA 0.635 4.955 4.320 0.000 0.000 0.265 82 K C -0.026 176.639 176.600 0.108 0.000 1.039 82 K CA -0.575 55.819 56.287 0.178 0.000 0.920 82 K CB 1.003 33.616 32.500 0.188 0.000 1.160 82 K HN 0.756 nan 8.250 nan 0.000 0.451 83 R N 0.089 120.640 120.500 0.085 0.000 4.180 83 R HA -0.162 4.178 4.340 0.000 0.000 0.279 83 R C -0.625 175.720 176.300 0.076 0.000 0.241 83 R CA 0.273 56.408 56.100 0.058 0.000 0.955 83 R CB -1.076 29.249 30.300 0.042 0.000 1.154 83 R HN 0.726 nan 8.270 nan 0.000 0.480 84 A N 0.523 123.376 122.820 0.055 0.000 2.546 84 A HA 0.423 4.743 4.320 0.000 0.000 0.243 84 A C 1.293 178.914 177.584 0.061 0.000 1.063 84 A CA 1.448 53.522 52.037 0.060 0.000 0.757 84 A CB -0.015 19.008 19.000 0.039 0.000 0.991 84 A HN 1.258 nan 8.150 nan 0.000 0.503 85 G N 1.227 110.073 108.800 0.075 0.000 3.511 85 G HA2 0.011 3.971 3.960 0.000 0.000 0.218 85 G HA3 0.011 3.971 3.960 0.000 0.000 0.218 85 G C 1.217 176.161 174.900 0.073 0.000 1.001 85 G CA 0.561 45.695 45.100 0.058 0.000 0.877 85 G HN 1.556 nan 8.290 nan 0.000 0.450 86 G N 0.629 109.488 108.800 0.098 0.000 2.422 86 G HA2 -0.072 3.888 3.960 0.000 0.000 0.218 86 G HA3 -0.072 3.888 3.960 0.000 0.000 0.218 86 G C 1.620 176.598 174.900 0.130 0.000 1.146 86 G CA 1.799 46.946 45.100 0.079 0.000 0.769 86 G HN 0.417 nan 8.290 nan 0.000 0.547 87 Q N 0.440 120.344 119.800 0.174 0.000 2.050 87 Q HA -0.071 4.269 4.340 0.000 0.000 0.202 87 Q C 2.812 178.925 176.000 0.188 0.000 0.980 87 Q CA 1.589 57.511 55.803 0.198 0.000 0.840 87 Q CB -1.016 27.823 28.738 0.167 0.000 0.898 87 Q HN 0.454 nan 8.270 nan 0.000 0.424 88 G N 0.624 109.502 108.800 0.131 0.000 2.422 88 G HA2 -0.148 3.812 3.960 0.000 0.000 0.218 88 G HA3 -0.148 3.812 3.960 0.000 0.000 0.218 88 G C 1.592 176.561 174.900 0.115 0.000 1.140 88 G CA 0.328 45.491 45.100 0.106 0.000 0.775 88 G HN 0.261 nan 8.290 nan 0.000 0.545 89 I N -0.754 119.884 120.570 0.113 0.000 2.202 89 I HA -0.148 4.022 4.170 0.000 0.000 0.242 89 I C 2.437 178.638 176.117 0.140 0.000 1.091 89 I CA 1.150 62.515 61.300 0.109 0.000 1.368 89 I CB -0.289 37.761 38.000 0.084 0.000 1.058 89 I HN 0.216 nan 8.210 nan 0.000 0.410 90 Y N 1.884 122.213 120.300 0.048 0.000 2.145 90 Y HA -0.283 4.267 4.550 -0.000 0.000 0.286 90 Y C 2.540 178.476 175.900 0.059 0.000 1.145 90 Y CA 1.417 59.544 58.100 0.045 0.000 1.148 90 Y CB -0.543 37.938 38.460 0.036 0.000 0.981 90 Y HN 0.114 nan 8.280 nan 0.000 0.507 91 A N -0.614 122.226 122.820 0.034 0.000 1.908 91 A HA -0.305 4.015 4.320 0.000 0.000 0.218 91 A C 2.098 179.643 177.584 -0.064 0.000 1.181 91 A CA 2.241 54.254 52.037 -0.039 0.000 0.627 91 A CB -1.343 17.711 19.000 0.090 0.000 0.818 91 A HN 0.733 nan 8.150 nan 0.000 0.445 92 H N -0.418 118.606 119.070 -0.076 0.000 2.363 92 H HA 0.172 4.728 4.556 0.000 0.000 0.301 92 H C 2.199 177.453 175.328 -0.124 0.000 1.074 92 H CA 1.559 57.560 56.048 -0.079 0.000 1.354 92 H CB -0.277 29.455 29.762 -0.050 0.000 1.397 92 H HN 0.387 nan 8.280 nan 0.000 0.516 93 A N 0.976 123.701 122.820 -0.158 0.000 1.908 93 A HA -0.225 4.095 4.320 0.000 0.000 0.218 93 A C 2.303 179.701 177.584 -0.311 0.000 1.181 93 A CA 1.941 53.844 52.037 -0.223 0.000 0.627 93 A CB -0.649 18.279 19.000 -0.121 0.000 0.818 93 A HN 0.516 nan 8.150 nan 0.000 0.445 94 K N -0.291 119.906 120.400 -0.338 0.000 2.097 94 K HA -0.191 4.129 4.320 0.000 0.000 0.206 94 K C 1.941 178.438 176.600 -0.172 0.000 1.049 94 K CA 1.730 57.880 56.287 -0.228 0.000 0.933 94 K CB -0.155 32.131 32.500 -0.357 0.000 0.717 94 K HN 0.606 nan 8.250 nan 0.000 0.442 95 E N 0.517 120.575 120.200 -0.237 0.000 2.347 95 E HA -0.097 4.253 4.350 0.000 0.000 0.196 95 E C 1.677 178.099 176.600 -0.298 0.000 1.008 95 E CA 0.927 57.201 56.400 -0.210 0.000 0.852 95 E CB 0.059 29.656 29.700 -0.172 0.000 0.783 95 E HN 0.626 nan 8.360 nan 0.000 0.505 96 I N -4.551 115.769 120.570 -0.418 0.000 4.187 96 I HA 0.397 4.567 4.170 0.000 0.000 0.326 96 I C 2.082 177.948 176.117 -0.417 0.000 1.302 96 I CA 0.239 61.309 61.300 -0.383 0.000 1.196 96 I CB 0.267 38.024 38.000 -0.405 0.000 1.095 96 I HN -0.071 nan 8.210 nan 0.000 0.411 97 A N 2.972 125.452 122.820 -0.567 0.000 1.958 97 A HA -0.303 4.017 4.320 0.000 0.000 0.221 97 A C 2.078 179.197 177.584 -0.776 0.000 1.178 97 A CA 2.398 54.007 52.037 -0.713 0.000 0.642 97 A CB -0.971 17.459 19.000 -0.950 0.000 0.816 97 A HN 0.755 nan 8.150 nan 0.000 0.453 98 D N -0.390 119.478 120.400 -0.887 0.000 2.350 98 D HA -0.154 4.486 4.640 0.000 0.000 0.216 98 D C 1.048 177.204 176.300 -0.241 0.000 0.968 98 D CA 0.938 54.642 54.000 -0.492 0.000 0.894 98 D CB -0.733 39.922 40.800 -0.243 0.000 0.909 98 D HN 0.447 nan 8.370 nan 0.000 0.520 99 N N 0.445 119.003 118.700 -0.236 0.000 2.453 99 N HA -0.033 4.707 4.740 0.000 0.000 0.183 99 N C 2.011 177.454 175.510 -0.112 0.000 1.041 99 N CA 0.251 53.219 53.050 -0.136 0.000 0.900 99 N CB 0.094 38.509 38.487 -0.121 0.000 0.961 99 N HN 0.374 nan 8.380 nan 0.000 0.443 100 L N 0.810 121.944 121.223 -0.148 0.000 2.156 100 L HA 0.012 4.352 4.340 0.000 0.000 0.208 100 L C 0.734 177.572 176.870 -0.053 0.000 1.095 100 L CA 0.289 55.069 54.840 -0.101 0.000 0.770 100 L CB -0.251 41.732 42.059 -0.126 0.000 0.914 100 L HN 0.043 nan 8.230 nan 0.000 0.439 101 L N 0.740 121.935 121.223 -0.047 0.000 2.513 101 L HA 0.064 4.404 4.340 0.000 0.000 0.272 101 L C 1.336 178.210 176.870 0.007 0.000 1.187 101 L CA 0.692 55.534 54.840 0.004 0.000 0.895 101 L CB -0.084 41.991 42.059 0.026 0.000 1.147 101 L HN 0.395 nan 8.230 nan 0.000 0.483 102 G N 1.510 110.323 108.800 0.022 0.000 2.176 102 G HA2 -0.193 3.767 3.960 0.000 0.000 0.253 102 G HA3 -0.193 3.767 3.960 0.000 0.000 0.253 102 G C 0.219 175.124 174.900 0.009 0.000 0.979 102 G CA -0.387 44.724 45.100 0.018 0.000 0.641 102 G HN 0.564 nan 8.290 nan 0.000 0.530 103 E N 0.933 121.135 120.200 0.002 0.000 2.319 103 E HA 0.343 4.693 4.350 0.000 0.000 0.268 103 E C -0.502 176.096 176.600 -0.003 0.000 1.050 103 E CA -0.624 55.773 56.400 -0.006 0.000 0.878 103 E CB 1.130 30.821 29.700 -0.016 0.000 1.066 103 E HN 0.255 nan 8.360 nan 0.000 0.406 104 D N 3.274 123.667 120.400 -0.011 0.000 2.339 104 D HA 0.035 4.675 4.640 0.000 0.000 0.256 104 D C -1.507 174.772 176.300 -0.035 0.000 1.214 104 D CA -1.851 52.139 54.000 -0.017 0.000 0.877 104 D CB 0.988 41.774 40.800 -0.023 0.000 1.111 104 D HN 0.045 nan 8.370 nan 0.000 0.478 105 P HA -0.107 nan 4.420 nan 0.000 0.228 105 P C 0.277 177.507 177.300 -0.117 0.000 1.151 105 P CA 0.770 63.835 63.100 -0.059 0.000 0.770 105 P CB 0.314 31.997 31.700 -0.029 0.000 0.786 106 N N -0.181 118.448 118.700 -0.119 0.000 2.446 106 N HA -0.037 4.703 4.740 0.000 0.000 0.179 106 N C 0.193 175.600 175.510 -0.171 0.000 1.054 106 N CA 0.425 53.375 53.050 -0.168 0.000 0.905 106 N CB -0.238 38.166 38.487 -0.138 0.000 0.973 106 N HN 0.028 nan 8.380 nan 0.000 0.448 107 D N 0.742 121.072 120.400 -0.116 0.000 2.896 107 D HA 0.141 4.781 4.640 0.000 0.000 0.240 107 D C 1.103 177.350 176.300 -0.088 0.000 1.193 107 D CA -0.041 53.906 54.000 -0.090 0.000 0.983 107 D CB -0.037 40.734 40.800 -0.048 0.000 1.074 107 D HN 0.267 nan 8.370 nan 0.000 0.496 108 I N -0.115 120.360 120.570 -0.159 0.000 2.118 108 I HA -0.317 3.853 4.170 0.000 0.000 0.241 108 I C 1.599 177.725 176.117 0.015 0.000 1.070 108 I CA 1.341 62.559 61.300 -0.137 0.000 1.327 108 I CB 0.043 37.823 38.000 -0.366 0.000 1.034 108 I HN 0.019 nan 8.210 nan 0.000 0.405 109 D N 0.460 120.868 120.400 0.013 0.000 2.178 109 D HA -0.178 4.462 4.640 0.000 0.000 0.202 109 D C 2.146 178.501 176.300 0.091 0.000 0.974 109 D CA 0.935 54.974 54.000 0.065 0.000 0.841 109 D CB -0.061 40.749 40.800 0.017 0.000 0.953 109 D HN 0.208 nan 8.370 nan 0.000 0.478 110 K N 0.304 120.736 120.400 0.052 0.000 2.057 110 K HA -0.079 4.241 4.320 0.000 0.000 0.206 110 K C 1.927 178.577 176.600 0.083 0.000 1.050 110 K CA 0.829 57.153 56.287 0.062 0.000 0.935 110 K CB -0.036 32.479 32.500 0.026 0.000 0.715 110 K HN 0.139 nan 8.250 nan 0.000 0.439 111 I N 0.011 120.618 120.570 0.062 0.000 2.252 111 I HA -0.265 3.905 4.170 0.000 0.000 0.245 111 I C 2.164 178.330 176.117 0.081 0.000 1.102 111 I CA 1.106 62.433 61.300 0.045 0.000 1.385 111 I CB -0.314 37.687 38.000 0.001 0.000 1.064 111 I HN 0.223 nan 8.210 nan 0.000 0.414 112 Y N 1.591 121.896 120.300 0.008 0.000 2.165 112 Y HA -0.331 4.219 4.550 0.000 0.000 0.286 112 Y C 2.795 178.710 175.900 0.024 0.000 1.155 112 Y CA 2.219 60.331 58.100 0.019 0.000 1.164 112 Y CB -0.191 38.287 38.460 0.031 0.000 0.978 112 Y HN 0.080 nan 8.280 nan 0.000 0.513 113 T N 0.070 114.793 114.554 0.282 0.000 2.746 113 T HA -0.223 4.127 4.350 0.000 0.000 0.267 113 T C 1.850 176.696 174.700 0.244 0.000 1.039 113 T CA 1.685 63.917 62.100 0.221 0.000 1.142 113 T CB -0.253 68.743 68.868 0.215 0.000 0.866 113 T HN 0.277 nan 8.240 nan 0.000 0.444 114 K N 0.715 121.239 120.400 0.207 0.000 2.097 114 K HA -0.012 4.308 4.320 0.000 0.000 0.206 114 K C 2.171 178.851 176.600 0.133 0.000 1.049 114 K CA 1.040 57.442 56.287 0.193 0.000 0.933 114 K CB -0.251 32.304 32.500 0.093 0.000 0.717 114 K HN 0.307 nan 8.250 nan 0.000 0.442 115 L N 0.835 122.082 121.223 0.040 0.000 2.141 115 L HA -0.154 4.186 4.340 0.000 0.000 0.209 115 L C 2.305 179.174 176.870 -0.002 0.000 1.094 115 L CA 0.736 55.554 54.840 -0.037 0.000 0.763 115 L CB -0.263 41.699 42.059 -0.161 0.000 0.908 115 L HN 0.225 nan 8.230 nan 0.000 0.437 116 L N -1.915 119.313 121.223 0.008 0.000 2.072 116 L HA -0.179 4.161 4.340 0.000 0.000 0.205 116 L C 2.354 179.178 176.870 -0.077 0.000 1.079 116 L CA 1.481 56.291 54.840 -0.050 0.000 0.752 116 L CB -0.448 41.550 42.059 -0.102 0.000 0.906 116 L HN 0.319 nan 8.230 nan 0.000 0.436 117 W N -0.325 120.997 121.300 0.038 0.000 2.388 117 W HA -0.132 4.528 4.660 -0.000 0.000 0.294 117 W C 2.635 179.164 176.519 0.016 0.000 1.212 117 W CA 0.822 58.182 57.345 0.026 0.000 1.271 117 W CB -0.161 29.309 29.460 0.017 0.000 1.126 117 W HN 0.082 nan 8.180 nan 0.000 0.535 118 A N -0.258 122.696 122.820 0.223 0.000 2.019 118 A HA 0.014 4.334 4.320 0.000 0.000 0.219 118 A C 1.851 179.496 177.584 0.102 0.000 1.164 118 A CA 1.636 53.742 52.037 0.116 0.000 0.644 118 A CB -0.933 18.083 19.000 0.028 0.000 0.805 118 A HN 0.248 nan 8.150 nan 0.000 0.449 119 G N -1.961 106.912 108.800 0.121 0.000 4.432 119 G HA2 0.436 4.396 3.960 0.000 0.000 0.294 119 G HA3 0.436 4.396 3.960 0.000 0.000 0.294 119 G C 0.901 175.847 174.900 0.077 0.000 1.141 119 G CA 0.756 45.953 45.100 0.162 0.000 0.895 119 G HN 0.541 nan 8.290 nan 0.000 0.548 120 A N 0.409 123.269 122.820 0.066 0.000 1.986 120 A HA -0.095 4.225 4.320 0.000 0.000 0.220 120 A C 2.510 180.091 177.584 -0.005 0.000 1.171 120 A CA 2.294 54.327 52.037 -0.007 0.000 0.640 120 A CB -0.376 18.674 19.000 0.082 0.000 0.811 120 A HN 0.514 nan 8.150 nan 0.000 0.451 121 S N -0.680 115.038 115.700 0.031 0.000 2.442 121 S HA -0.083 4.387 4.470 0.000 0.000 0.236 121 S C 1.408 175.997 174.600 -0.017 0.000 1.007 121 S CA 1.496 59.706 58.200 0.016 0.000 0.965 121 S CB -0.472 62.748 63.200 0.033 0.000 0.773 121 S HN 0.890 nan 8.310 nan 0.000 0.504 122 V N -1.343 118.544 119.914 -0.044 0.000 3.342 122 V HA 0.661 4.781 4.120 0.000 0.000 0.322 122 V C 0.811 176.845 176.094 -0.100 0.000 1.370 122 V CA -0.095 62.149 62.300 -0.094 0.000 1.170 122 V CB -1.023 30.687 31.823 -0.188 0.000 1.101 122 V HN 0.501 nan 8.190 nan 0.000 0.442 123 G N 1.575 110.329 108.800 -0.076 0.000 2.757 123 G HA2 -0.168 3.792 3.960 0.000 0.000 0.638 123 G HA3 -0.168 3.792 3.960 0.000 0.000 0.638 123 G C -0.106 174.758 174.900 -0.061 0.000 1.344 123 G CA -0.118 44.941 45.100 -0.067 0.000 0.855 123 G HN 0.451 nan 8.290 nan 0.000 0.537 124 R N 0.067 120.544 120.500 -0.038 0.000 2.629 124 R HA 0.481 4.822 4.340 0.000 0.000 0.386 124 R C 0.556 176.879 176.300 0.038 0.000 1.071 124 R CA 0.505 56.602 56.100 -0.004 0.000 1.104 124 R CB 0.625 30.910 30.300 -0.024 0.000 1.370 124 R HN 1.065 nan 8.270 nan 0.000 0.574 125 S N -1.662 114.052 115.700 0.023 0.000 2.625 125 S HA 0.801 5.271 4.470 0.000 0.000 0.271 125 S C 0.232 174.843 174.600 0.019 0.000 1.161 125 S CA -0.267 57.959 58.200 0.043 0.000 0.820 125 S CB 2.211 65.436 63.200 0.043 0.000 1.137 125 S HN 0.316 nan 8.310 nan 0.000 0.470 126 G N 1.369 110.189 108.800 0.033 0.000 2.542 126 G HA2 -0.252 3.708 3.960 0.000 0.000 0.235 126 G HA3 -0.252 3.708 3.960 0.000 0.000 0.235 126 G C 0.609 175.507 174.900 -0.003 0.000 1.286 126 G CA 0.284 45.391 45.100 0.012 0.000 0.904 126 G HN 1.324 nan 8.290 nan 0.000 0.577 127 M N 0.237 119.821 119.600 -0.027 0.000 2.144 127 M HA -0.026 4.454 4.480 0.000 0.000 0.260 127 M C 2.827 179.091 176.300 -0.059 0.000 1.067 127 M CA 3.234 58.513 55.300 -0.035 0.000 1.095 127 M CB -0.508 32.068 32.600 -0.039 0.000 1.365 127 M HN 1.196 nan 8.290 nan 0.000 0.406 128 A N -0.516 122.224 122.820 -0.132 0.000 1.902 128 A HA -0.143 4.177 4.320 0.000 0.000 0.217 128 A C 1.999 179.565 177.584 -0.029 0.000 1.181 128 A CA 1.935 53.845 52.037 -0.211 0.000 0.623 128 A CB -1.290 17.512 19.000 -0.331 0.000 0.818 128 A HN 0.569 nan 8.150 nan 0.000 0.443 129 V N -2.777 117.141 119.914 0.008 0.000 2.667 129 V HA -0.185 3.935 4.120 0.000 0.000 0.252 129 V C 1.922 178.057 176.094 0.068 0.000 1.065 129 V CA 1.899 64.241 62.300 0.071 0.000 1.083 129 V CB -1.057 30.859 31.823 0.154 0.000 0.692 129 V HN 0.588 nan 8.190 nan 0.000 0.468 130 Q N 0.654 120.481 119.800 0.046 0.000 2.369 130 Q HA 0.149 4.489 4.340 0.000 0.000 0.206 130 Q C 2.282 178.305 176.000 0.039 0.000 0.963 130 Q CA 1.273 57.099 55.803 0.038 0.000 0.894 130 Q CB -0.176 28.565 28.738 0.005 0.000 0.965 130 Q HN 0.790 nan 8.270 nan 0.000 0.475 131 A N 0.165 123.014 122.820 0.047 0.000 2.072 131 A HA 0.014 4.334 4.320 0.000 0.000 0.216 131 A C 1.776 179.362 177.584 0.004 0.000 1.156 131 A CA 0.460 52.535 52.037 0.062 0.000 0.701 131 A CB -0.035 19.062 19.000 0.162 0.000 0.816 131 A HN 0.254 nan 8.150 nan 0.000 0.458 132 I N -0.880 119.667 120.570 -0.039 0.000 2.852 132 I HA -0.094 4.076 4.170 0.000 0.000 0.264 132 I C 2.316 178.379 176.117 -0.089 0.000 1.179 132 I CA 0.481 61.681 61.300 -0.166 0.000 1.480 132 I CB -0.050 37.690 38.000 -0.434 0.000 1.111 132 I HN 0.164 nan 8.210 nan 0.000 0.441 133 S N 1.711 117.416 115.700 0.009 0.000 2.372 133 S HA -0.146 4.325 4.470 0.000 0.000 0.227 133 S C -0.428 174.192 174.600 0.034 0.000 1.044 133 S CA 1.846 60.082 58.200 0.060 0.000 1.050 133 S CB -1.313 61.924 63.200 0.061 0.000 0.901 133 S HN 0.305 nan 8.310 nan 0.000 0.447 134 P HA -0.033 nan 4.420 nan 0.000 0.215 134 P C 1.271 178.598 177.300 0.044 0.000 1.153 134 P CA 0.958 64.089 63.100 0.052 0.000 0.853 134 P CB -0.093 31.662 31.700 0.092 0.000 0.788 135 I N -0.582 119.994 120.570 0.009 0.000 2.202 135 I HA -0.228 3.942 4.170 0.000 0.000 0.242 135 I C 2.193 178.327 176.117 0.029 0.000 1.091 135 I CA 1.724 63.018 61.300 -0.009 0.000 1.368 135 I CB -0.711 37.242 38.000 -0.077 0.000 1.058 135 I HN -0.050 nan 8.210 nan 0.000 0.410 136 D N 1.345 121.782 120.400 0.061 0.000 2.097 136 D HA -0.182 4.458 4.640 0.000 0.000 0.195 136 D C 2.165 178.631 176.300 0.277 0.000 0.989 136 D CA 1.448 55.566 54.000 0.197 0.000 0.827 136 D CB -0.001 41.004 40.800 0.343 0.000 0.966 136 D HN 0.277 nan 8.370 nan 0.000 0.456 137 I N 0.361 121.042 120.570 0.185 0.000 2.252 137 I HA -0.205 3.965 4.170 0.000 0.000 0.245 137 I C 2.473 178.679 176.117 0.149 0.000 1.102 137 I CA 0.949 62.339 61.300 0.149 0.000 1.385 137 I CB -0.346 37.638 38.000 -0.026 0.000 1.064 137 I HN 0.081 nan 8.210 nan 0.000 0.414 138 A N 0.993 123.879 122.820 0.110 0.000 1.933 138 A HA -0.144 4.176 4.320 0.000 0.000 0.218 138 A C 2.286 179.924 177.584 0.090 0.000 1.175 138 A CA 1.341 53.442 52.037 0.106 0.000 0.628 138 A CB -0.769 18.286 19.000 0.092 0.000 0.814 138 A HN 0.388 nan 8.150 nan 0.000 0.444 139 L N -2.897 118.360 121.223 0.058 0.000 2.093 139 L HA -0.188 4.152 4.340 0.000 0.000 0.208 139 L C 2.531 179.352 176.870 -0.083 0.000 1.085 139 L CA 1.107 55.923 54.840 -0.039 0.000 0.755 139 L CB -0.448 41.543 42.059 -0.113 0.000 0.904 139 L HN 0.595 nan 8.230 nan 0.000 0.435 140 W N 0.550 121.845 121.300 -0.008 0.000 2.418 140 W HA -0.177 4.483 4.660 -0.000 0.000 0.292 140 W C 2.373 178.863 176.519 -0.048 0.000 1.213 140 W CA 1.228 58.555 57.345 -0.031 0.000 1.283 140 W CB -0.193 29.245 29.460 -0.038 0.000 1.119 140 W HN 0.211 nan 8.180 nan 0.000 0.542 141 D N -0.074 120.441 120.400 0.191 0.000 2.117 141 D HA -0.262 4.378 4.640 0.000 0.000 0.197 141 D C 2.163 178.513 176.300 0.083 0.000 0.987 141 D CA 1.797 55.860 54.000 0.105 0.000 0.829 141 D CB -0.333 40.530 40.800 0.106 0.000 0.961 141 D HN 0.028 nan 8.370 nan 0.000 0.460 142 M N -0.100 119.540 119.600 0.068 0.000 2.086 142 M HA -0.173 4.307 4.480 0.000 0.000 0.261 142 M C 2.179 178.445 176.300 -0.056 0.000 1.067 142 M CA 1.499 56.824 55.300 0.042 0.000 1.116 142 M CB -0.109 32.514 32.600 0.039 0.000 1.348 142 M HN -0.080 nan 8.290 nan 0.000 0.407 143 K N 0.041 120.384 120.400 -0.095 0.000 2.063 143 K HA -0.168 4.152 4.320 0.000 0.000 0.208 143 K C 1.767 178.303 176.600 -0.106 0.000 1.048 143 K CA 1.585 57.779 56.287 -0.155 0.000 0.928 143 K CB -0.197 32.183 32.500 -0.199 0.000 0.713 143 K HN 0.447 nan 8.250 nan 0.000 0.442 144 A N 1.271 124.079 122.820 -0.020 0.000 1.902 144 A HA -0.182 4.138 4.320 0.000 0.000 0.217 144 A C 1.893 179.431 177.584 -0.076 0.000 1.181 144 A CA 1.728 53.747 52.037 -0.029 0.000 0.623 144 A CB -0.343 18.654 19.000 -0.005 0.000 0.818 144 A HN 0.315 nan 8.150 nan 0.000 0.443 145 K N -0.850 119.541 120.400 -0.015 0.000 2.097 145 K HA -0.117 4.203 4.320 0.000 0.000 0.205 145 K C 2.326 178.923 176.600 -0.005 0.000 1.050 145 K CA 1.315 57.642 56.287 0.067 0.000 0.938 145 K CB -0.167 32.452 32.500 0.198 0.000 0.718 145 K HN 0.468 nan 8.250 nan 0.000 0.442 146 R N 0.753 121.114 120.500 -0.231 0.000 2.127 146 R HA -0.115 4.225 4.340 0.000 0.000 0.238 146 R C 1.719 177.860 176.300 -0.266 0.000 1.134 146 R CA 1.521 57.271 56.100 -0.582 0.000 0.975 146 R CB -0.087 29.750 30.300 -0.771 0.000 0.865 146 R HN 0.172 nan 8.270 nan 0.000 0.447 147 A N -0.370 122.336 122.820 -0.189 0.000 2.275 147 A HA 0.240 4.560 4.320 0.000 0.000 0.212 147 A C 1.101 178.584 177.584 -0.169 0.000 1.201 147 A CA 0.542 52.494 52.037 -0.142 0.000 0.843 147 A CB 0.028 18.959 19.000 -0.115 0.000 0.873 147 A HN 0.518 nan 8.150 nan 0.000 0.492 148 G N -0.567 108.080 108.800 -0.255 0.000 2.272 148 G HA2 -0.198 3.762 3.960 0.000 0.000 0.280 148 G HA3 -0.198 3.762 3.960 0.000 0.000 0.280 148 G C -0.222 174.211 174.900 -0.778 0.000 1.067 148 G CA 0.687 45.444 45.100 -0.573 0.000 0.902 148 G HN 0.561 nan 8.290 nan 0.000 0.500 149 L N -1.162 119.723 121.223 -0.563 0.000 2.409 149 L HA 0.540 4.880 4.340 0.000 0.000 0.262 149 L C -2.395 174.408 176.870 -0.113 0.000 0.992 149 L CA -2.677 52.002 54.840 -0.268 0.000 0.817 149 L CB 2.582 44.567 42.059 -0.123 0.000 1.350 149 L HN -0.156 nan 8.230 nan 0.000 0.411 150 P HA 0.050 nan 4.420 nan 0.000 0.272 150 P C 0.430 177.712 177.300 -0.031 0.000 1.223 150 P CA -0.418 62.722 63.100 0.067 0.000 0.784 150 P CB 0.742 32.543 31.700 0.168 0.000 0.923 151 L N 3.784 124.848 121.223 -0.265 0.000 2.043 151 L HA -0.242 4.098 4.340 0.000 0.000 0.212 151 L C 2.080 178.924 176.870 -0.044 0.000 1.075 151 L CA 2.424 57.107 54.840 -0.262 0.000 0.752 151 L CB -1.603 40.106 42.059 -0.583 0.000 0.891 151 L HN 0.424 nan 8.230 nan 0.000 0.432 152 A N -0.875 122.056 122.820 0.186 0.000 1.948 152 A HA -0.216 4.104 4.320 0.000 0.000 0.220 152 A C 2.225 179.852 177.584 0.073 0.000 1.177 152 A CA 1.867 54.011 52.037 0.178 0.000 0.636 152 A CB -0.496 18.639 19.000 0.225 0.000 0.815 152 A HN 0.437 nan 8.150 nan 0.000 0.449 153 K N -0.882 119.554 120.400 0.060 0.000 2.228 153 K HA 0.028 4.348 4.320 0.000 0.000 0.202 153 K C 1.823 178.428 176.600 0.010 0.000 1.051 153 K CA 0.867 57.167 56.287 0.023 0.000 0.960 153 K CB -0.581 31.930 32.500 0.018 0.000 0.743 153 K HN 0.486 nan 8.250 nan 0.000 0.458 154 L N 1.055 122.287 121.223 0.016 0.000 2.056 154 L HA -0.062 4.278 4.340 0.000 0.000 0.207 154 L C 1.931 178.838 176.870 0.062 0.000 1.078 154 L CA 1.417 56.280 54.840 0.038 0.000 0.749 154 L CB -0.342 41.760 42.059 0.072 0.000 0.901 154 L HN 0.014 nan 8.230 nan 0.000 0.433 155 L N -0.214 121.033 121.223 0.041 0.000 2.156 155 L HA 0.224 4.564 4.340 0.000 0.000 0.208 155 L C 0.842 177.719 176.870 0.011 0.000 1.095 155 L CA 0.485 55.337 54.840 0.019 0.000 0.770 155 L CB -0.805 41.229 42.059 -0.041 0.000 0.914 155 L HN 0.497 nan 8.230 nan 0.000 0.439 156 G N 0.102 108.900 108.800 -0.004 0.000 3.444 156 G HA2 0.175 4.135 3.960 0.000 0.000 0.685 156 G HA3 0.175 4.135 3.960 0.000 0.000 0.685 156 G C -0.714 174.146 174.900 -0.066 0.000 1.145 156 G CA -0.564 44.507 45.100 -0.048 0.000 0.973 156 G HN 0.363 nan 8.290 nan 0.000 0.525 157 A N 2.842 125.611 122.820 -0.084 0.000 2.306 157 A HA 0.867 5.187 4.320 0.000 0.000 0.330 157 A C 0.656 178.136 177.584 -0.173 0.000 1.146 157 A CA -0.482 51.519 52.037 -0.060 0.000 0.827 157 A CB 0.932 19.926 19.000 -0.010 0.000 1.178 157 A HN 0.900 nan 8.150 nan 0.000 0.490 158 H N 0.561 119.628 119.070 -0.006 0.000 2.740 158 H HA 0.156 4.712 4.556 0.000 0.000 0.265 158 H C 0.144 175.453 175.328 -0.032 0.000 0.978 158 H CA 0.814 56.850 56.048 -0.020 0.000 1.198 158 H CB 0.533 30.279 29.762 -0.026 0.000 1.467 158 H HN 0.761 nan 8.280 nan 0.000 0.511 159 R N -0.308 120.221 120.500 0.049 0.000 2.680 159 R HA 0.221 4.561 4.340 0.000 0.000 0.269 159 R C -1.244 175.017 176.300 -0.064 0.000 1.026 159 R CA -0.638 55.446 56.100 -0.026 0.000 0.889 159 R CB 1.080 31.343 30.300 -0.060 0.000 1.241 159 R HN -0.256 nan 8.270 nan 0.000 0.463 160 D N 0.674 121.008 120.400 -0.110 0.000 2.349 160 D HA 0.090 4.730 4.640 0.000 0.000 0.214 160 D C -0.238 175.904 176.300 -0.265 0.000 1.063 160 D CA 0.592 54.537 54.000 -0.093 0.000 0.847 160 D CB 0.718 41.541 40.800 0.038 0.000 0.933 160 D HN 0.588 nan 8.370 nan 0.000 0.513 161 S N -1.081 114.342 115.700 -0.462 0.000 2.565 161 S HA 0.616 5.086 4.470 0.000 0.000 0.269 161 S C -1.005 173.317 174.600 -0.464 0.000 1.153 161 S CA -0.811 56.965 58.200 -0.706 0.000 0.835 161 S CB 2.410 64.558 63.200 -1.752 0.000 1.122 161 S HN -0.182 nan 8.310 nan 0.000 0.462 162 V N 1.703 121.391 119.914 -0.376 0.000 2.709 162 V HA 0.447 4.567 4.120 0.000 0.000 0.308 162 V C -0.343 175.602 176.094 -0.248 0.000 1.062 162 V CA -0.848 61.300 62.300 -0.253 0.000 0.901 162 V CB 1.806 33.553 31.823 -0.127 0.000 1.003 162 V HN 0.995 nan 8.190 nan 0.000 0.425 163 Q N 1.707 121.299 119.800 -0.348 0.000 2.304 163 Q HA 0.192 4.532 4.340 0.000 0.000 0.301 163 Q C -0.287 175.634 176.000 -0.131 0.000 1.063 163 Q CA 0.394 55.924 55.803 -0.455 0.000 0.947 163 Q CB 0.730 28.747 28.738 -1.200 0.000 1.201 163 Q HN 0.745 nan 8.270 nan 0.000 0.389 164 C N 4.070 123.420 119.300 0.084 0.000 2.547 164 C HA 0.703 5.164 4.460 0.000 0.000 0.313 164 C C -1.383 173.844 174.990 0.396 0.000 1.191 164 C CA -0.658 58.516 59.018 0.259 0.000 1.474 164 C CB 0.214 28.023 27.740 0.115 0.000 2.081 164 C HN 0.851 nan 8.230 nan 0.000 0.476 165 Y N 4.407 124.886 120.300 0.299 0.000 2.524 165 Y HA 0.610 5.160 4.550 0.000 0.000 0.344 165 Y C -0.470 175.466 175.900 0.060 0.000 1.012 165 Y CA -1.008 57.160 58.100 0.113 0.000 1.068 165 Y CB 0.843 39.231 38.460 -0.120 0.000 1.249 165 Y HN 0.710 nan 8.280 nan 0.000 0.468 166 N N 1.057 119.777 118.700 0.032 0.000 2.443 166 N HA 0.284 5.024 4.740 0.000 0.000 0.295 166 N C -0.602 174.841 175.510 -0.113 0.000 1.076 166 N CA -0.148 52.856 53.050 -0.077 0.000 0.919 166 N CB 2.139 40.614 38.487 -0.022 0.000 1.176 166 N HN 0.978 nan 8.380 nan 0.000 0.487 167 T N 0.408 114.733 114.554 -0.383 0.000 3.026 167 T HA -0.045 4.306 4.350 0.000 0.000 0.245 167 T C 1.812 176.226 174.700 -0.477 0.000 1.004 167 T CA 0.689 62.498 62.100 -0.485 0.000 1.069 167 T CB -0.193 68.245 68.868 -0.717 0.000 1.005 167 T HN 0.721 nan 8.240 nan 0.000 0.472 168 S N 1.499 116.895 115.700 -0.506 0.000 2.440 168 S HA -0.020 4.450 4.470 0.000 0.000 0.238 168 S C 2.001 176.753 174.600 0.254 0.000 1.010 168 S CA 1.189 59.414 58.200 0.041 0.000 0.972 168 S CB -0.674 62.528 63.200 0.004 0.000 0.774 168 S HN 0.486 nan 8.310 nan 0.000 0.501 169 G N 0.014 108.863 108.800 0.082 0.000 3.284 169 G HA2 0.478 4.438 3.960 0.000 0.000 0.236 169 G HA3 0.478 4.438 3.960 0.000 0.000 0.236 169 G C 0.614 175.528 174.900 0.023 0.000 1.158 169 G CA 0.050 45.203 45.100 0.087 0.000 0.774 169 G HN 0.644 nan 8.290 nan 0.000 0.545 170 G N 0.028 108.804 108.800 -0.040 0.000 4.100 170 G HA2 0.429 4.389 3.960 0.000 0.000 0.294 170 G HA3 0.429 4.389 3.960 0.000 0.000 0.294 170 G C -0.308 174.472 174.900 -0.200 0.000 1.040 170 G CA -0.528 44.494 45.100 -0.130 0.000 0.829 170 G HN 0.136 nan 8.290 nan 0.000 0.505 171 F N -0.093 119.789 119.950 -0.113 0.000 2.403 171 F HA 0.342 4.870 4.527 0.000 0.000 0.320 171 F C 1.691 177.370 175.800 -0.200 0.000 1.176 171 F CA -0.378 57.551 58.000 -0.117 0.000 1.206 171 F CB 1.210 40.177 39.000 -0.055 0.000 1.235 171 F HN -0.122 nan 8.300 nan 0.000 0.565 172 L N 0.725 122.026 121.223 0.131 0.000 2.478 172 L HA -0.145 4.195 4.340 0.000 0.000 0.223 172 L C 1.704 178.610 176.870 0.060 0.000 1.140 172 L CA 0.601 55.478 54.840 0.062 0.000 0.842 172 L CB -0.660 41.453 42.059 0.091 0.000 0.953 172 L HN 0.721 nan 8.230 nan 0.000 0.452 173 H N -3.495 115.666 119.070 0.151 0.000 2.539 173 H HA 0.124 4.680 4.556 0.000 0.000 0.267 173 H C 0.287 175.664 175.328 0.081 0.000 0.982 173 H CA -0.072 56.030 56.048 0.090 0.000 1.146 173 H CB -0.578 29.221 29.762 0.062 0.000 1.382 173 H HN -0.080 nan 8.280 nan 0.000 0.577 174 T N 3.364 117.751 114.554 -0.278 0.000 2.744 174 T HA 0.268 4.618 4.350 0.000 0.000 0.291 174 T C -2.478 172.197 174.700 -0.041 0.000 0.957 174 T CA -1.474 60.542 62.100 -0.140 0.000 1.002 174 T CB 1.480 70.236 68.868 -0.187 0.000 0.919 174 T HN 0.163 nan 8.240 nan 0.000 0.468 175 P HA 0.066 nan 4.420 nan 0.000 0.267 175 P C 0.994 178.290 177.300 -0.007 0.000 1.200 175 P CA -0.526 62.578 63.100 0.005 0.000 0.772 175 P CB 0.502 32.212 31.700 0.018 0.000 0.855 176 L N 3.696 124.914 121.223 -0.009 0.000 2.043 176 L HA -0.243 4.097 4.340 0.000 0.000 0.212 176 L C 1.701 178.563 176.870 -0.013 0.000 1.075 176 L CA 2.295 57.125 54.840 -0.016 0.000 0.752 176 L CB -1.253 40.797 42.059 -0.014 0.000 0.891 176 L HN 0.461 nan 8.230 nan 0.000 0.432 177 D N -1.519 118.877 120.400 -0.005 0.000 2.182 177 D HA -0.286 4.354 4.640 0.000 0.000 0.201 177 D C 1.985 178.284 176.300 -0.001 0.000 0.986 177 D CA 1.492 55.490 54.000 -0.003 0.000 0.847 177 D CB -0.486 40.316 40.800 0.002 0.000 0.942 177 D HN 0.487 nan 8.370 nan 0.000 0.467 178 Q N 0.568 120.370 119.800 0.003 0.000 2.137 178 Q HA 0.021 4.361 4.340 0.000 0.000 0.198 178 Q C 2.139 178.140 176.000 0.003 0.000 0.960 178 Q CA 0.812 56.621 55.803 0.010 0.000 0.847 178 Q CB -0.327 28.424 28.738 0.022 0.000 0.915 178 Q HN 0.204 nan 8.270 nan 0.000 0.448 179 V N 0.568 120.475 119.914 -0.011 0.000 2.407 179 V HA -0.250 3.870 4.120 0.000 0.000 0.248 179 V C 2.213 178.293 176.094 -0.025 0.000 1.055 179 V CA 1.640 63.927 62.300 -0.022 0.000 1.049 179 V CB -0.549 31.250 31.823 -0.041 0.000 0.662 179 V HN 0.364 nan 8.190 nan 0.000 0.455 180 L N -0.706 120.502 121.223 -0.025 0.000 2.141 180 L HA -0.151 4.189 4.340 0.000 0.000 0.209 180 L C 2.546 179.400 176.870 -0.026 0.000 1.094 180 L CA 1.485 56.307 54.840 -0.031 0.000 0.763 180 L CB -0.570 41.472 42.059 -0.028 0.000 0.908 180 L HN 0.278 nan 8.230 nan 0.000 0.437 181 K N -0.090 120.303 120.400 -0.013 0.000 2.097 181 K HA -0.107 4.213 4.320 0.000 0.000 0.205 181 K C 1.864 178.462 176.600 -0.003 0.000 1.050 181 K CA 1.141 57.425 56.287 -0.006 0.000 0.938 181 K CB -0.154 32.350 32.500 0.006 0.000 0.718 181 K HN 0.299 nan 8.250 nan 0.000 0.442 182 N N 0.746 119.448 118.700 0.003 0.000 2.188 182 N HA -0.119 4.621 4.740 0.000 0.000 0.184 182 N C 1.867 177.373 175.510 -0.008 0.000 1.018 182 N CA 0.860 53.917 53.050 0.012 0.000 0.858 182 N CB -0.386 38.117 38.487 0.026 0.000 0.989 182 N HN -0.057 nan 8.380 nan 0.000 0.426 183 V N 0.985 120.883 119.914 -0.028 0.000 2.343 183 V HA -0.173 3.947 4.120 0.000 0.000 0.247 183 V C 2.431 178.480 176.094 -0.077 0.000 1.051 183 V CA 1.173 63.440 62.300 -0.054 0.000 1.036 183 V CB -0.475 31.304 31.823 -0.074 0.000 0.654 183 V HN 0.062 nan 8.190 nan 0.000 0.451 184 V N -0.187 119.689 119.914 -0.064 0.000 2.295 184 V HA -0.254 3.866 4.120 0.000 0.000 0.246 184 V C 2.180 178.248 176.094 -0.044 0.000 1.049 184 V CA 2.176 64.437 62.300 -0.065 0.000 1.024 184 V CB -0.510 31.286 31.823 -0.046 0.000 0.648 184 V HN 0.430 nan 8.190 nan 0.000 0.447 185 I N 0.060 120.618 120.570 -0.021 0.000 2.163 185 I HA -0.244 3.926 4.170 0.000 0.000 0.243 185 I C 2.619 178.732 176.117 -0.008 0.000 1.085 185 I CA 1.774 63.071 61.300 -0.004 0.000 1.347 185 I CB -0.476 37.533 38.000 0.015 0.000 1.044 185 I HN 0.260 nan 8.210 nan 0.000 0.408 186 S N 0.086 115.778 115.700 -0.013 0.000 2.368 186 S HA -0.210 4.260 4.470 0.000 0.000 0.225 186 S C 2.090 176.686 174.600 -0.006 0.000 1.030 186 S CA 1.325 59.515 58.200 -0.017 0.000 0.999 186 S CB -0.321 62.874 63.200 -0.008 0.000 0.844 186 S HN 0.341 nan 8.310 nan 0.000 0.459 187 R N 1.030 121.508 120.500 -0.038 0.000 2.092 187 R HA -0.018 4.322 4.340 0.000 0.000 0.231 187 R C 1.908 178.194 176.300 -0.022 0.000 1.119 187 R CA 1.007 57.071 56.100 -0.059 0.000 0.970 187 R CB -0.035 30.127 30.300 -0.230 0.000 0.864 187 R HN 0.194 nan 8.270 nan 0.000 0.440 188 E N 0.341 120.525 120.200 -0.026 0.000 2.268 188 E HA -0.120 4.230 4.350 0.000 0.000 0.195 188 E C 0.835 177.441 176.600 0.010 0.000 0.995 188 E CA 0.736 57.131 56.400 -0.009 0.000 0.836 188 E CB -0.125 29.570 29.700 -0.009 0.000 0.763 188 E HN 0.370 nan 8.360 nan 0.000 0.491 189 N N -0.171 118.536 118.700 0.011 0.000 2.322 189 N HA 0.012 4.752 4.740 0.000 0.000 0.194 189 N C 0.697 176.228 175.510 0.034 0.000 1.126 189 N CA 0.736 53.797 53.050 0.018 0.000 0.845 189 N CB 1.008 39.496 38.487 0.002 0.000 0.976 189 N HN 0.205 nan 8.380 nan 0.000 0.475 190 G N 1.434 110.268 108.800 0.056 0.000 2.132 190 G HA2 -0.266 3.695 3.960 0.000 0.000 0.234 190 G HA3 -0.266 3.695 3.960 0.000 0.000 0.234 190 G C 0.155 175.127 174.900 0.121 0.000 0.989 190 G CA -0.235 44.921 45.100 0.094 0.000 0.676 190 G HN 0.307 nan 8.290 nan 0.000 0.522 191 I N 1.069 121.711 120.570 0.120 0.000 2.892 191 I HA 0.510 4.680 4.170 0.000 0.000 0.287 191 I C 1.569 177.854 176.117 0.280 0.000 1.205 191 I CA 1.044 62.434 61.300 0.150 0.000 1.409 191 I CB 1.197 39.270 38.000 0.122 0.000 1.367 191 I HN 0.179 nan 8.210 nan 0.000 0.597 192 G N 4.389 113.315 108.800 0.211 0.000 3.126 192 G HA2 0.554 4.514 3.960 0.000 0.000 0.224 192 G HA3 0.554 4.514 3.960 0.000 0.000 0.224 192 G C 0.277 175.127 174.900 -0.083 0.000 1.142 192 G CA 0.463 45.628 45.100 0.109 0.000 0.759 192 G HN 1.036 nan 8.290 nan 0.000 0.550 193 G N -0.412 108.425 108.800 0.060 0.000 2.547 193 G HA2 0.466 4.426 3.960 0.000 0.000 0.291 193 G HA3 0.466 4.426 3.960 0.000 0.000 0.291 193 G C -1.983 172.986 174.900 0.115 0.000 1.471 193 G CA -0.622 44.405 45.100 -0.122 0.000 0.798 193 G HN -0.001 nan 8.290 nan 0.000 0.504 194 I N 0.612 121.179 120.570 -0.004 0.000 2.533 194 I HA 0.500 4.670 4.170 0.000 0.000 0.290 194 I C -0.370 175.640 176.117 -0.179 0.000 1.056 194 I CA -0.887 60.421 61.300 0.012 0.000 1.057 194 I CB 1.993 40.032 38.000 0.065 0.000 1.240 194 I HN 0.493 nan 8.210 nan 0.000 0.423 195 K N 5.748 126.081 120.400 -0.111 0.000 2.292 195 K HA 0.589 4.909 4.320 0.000 0.000 0.257 195 K C -1.744 174.739 176.600 -0.195 0.000 0.940 195 K CA -0.663 55.487 56.287 -0.228 0.000 0.811 195 K CB 2.288 34.734 32.500 -0.091 0.000 1.120 195 K HN 0.442 nan 8.250 nan 0.000 0.428 196 L N 4.060 125.150 121.223 -0.221 0.000 2.322 196 L HA 0.406 4.746 4.340 0.000 0.000 0.281 196 L C -0.884 175.861 176.870 -0.209 0.000 1.014 196 L CA -0.421 54.296 54.840 -0.205 0.000 0.815 196 L CB 1.271 43.218 42.059 -0.186 0.000 1.247 196 L HN 0.460 nan 8.230 nan 0.000 0.421 197 K N 4.632 124.888 120.400 -0.239 0.000 2.322 197 K HA 0.494 4.814 4.320 0.000 0.000 0.283 197 K C -0.267 176.240 176.600 -0.155 0.000 1.042 197 K CA -0.063 56.091 56.287 -0.222 0.000 0.958 197 K CB 1.284 33.630 32.500 -0.257 0.000 0.984 197 K HN 0.590 nan 8.250 nan 0.000 0.473 198 V N -2.007 117.800 119.914 -0.178 0.000 3.119 198 V HA 0.860 4.981 4.120 0.000 0.000 0.309 198 V C 0.676 176.600 176.094 -0.284 0.000 1.304 198 V CA -0.233 61.978 62.300 -0.149 0.000 1.057 198 V CB 1.191 32.969 31.823 -0.075 0.000 1.150 198 V HN 0.815 nan 8.190 nan 0.000 0.474 199 G N 0.432 109.066 108.800 -0.277 0.000 2.131 199 G HA2 -0.163 3.798 3.960 0.000 0.000 0.223 199 G HA3 -0.163 3.798 3.960 0.000 0.000 0.223 199 G C 0.028 174.856 174.900 -0.120 0.000 0.990 199 G CA 0.399 45.186 45.100 -0.521 0.000 0.671 199 G HN 1.472 nan 8.290 nan 0.000 0.521 200 Q N -0.403 119.411 119.800 0.023 0.000 2.312 200 Q HA 0.656 4.996 4.340 0.000 0.000 0.236 200 Q C -1.461 174.607 176.000 0.113 0.000 0.965 200 Q CA -1.260 54.575 55.803 0.054 0.000 0.894 200 Q CB 1.357 30.125 28.738 0.049 0.000 1.225 200 Q HN 0.083 nan 8.270 nan 0.000 0.478 201 P HA -0.208 nan 4.420 nan 0.000 0.216 201 P C -0.020 177.336 177.300 0.094 0.000 1.154 201 P CA 1.442 64.599 63.100 0.094 0.000 0.865 201 P CB 0.071 31.810 31.700 0.064 0.000 0.789 202 N N -0.384 118.364 118.700 0.079 0.000 2.508 202 N HA -0.006 4.734 4.740 0.000 0.000 0.253 202 N C 0.699 176.261 175.510 0.088 0.000 1.145 202 N CA 0.002 53.093 53.050 0.068 0.000 0.973 202 N CB -0.403 38.114 38.487 0.051 0.000 1.305 202 N HN 0.007 nan 8.380 nan 0.000 0.506 203 C N 2.176 121.533 119.300 0.095 0.000 2.425 203 C HA -0.090 4.370 4.460 0.000 0.000 0.277 203 C C 2.590 177.626 174.990 0.075 0.000 1.280 203 C CA 1.022 60.105 59.018 0.109 0.000 1.744 203 C CB -1.219 26.554 27.740 0.055 0.000 1.989 203 C HN 0.834 nan 8.230 nan 0.000 0.491 204 A N 0.559 123.409 122.820 0.050 0.000 1.940 204 A HA -0.246 4.074 4.320 0.000 0.000 0.219 204 A C 2.021 179.630 177.584 0.042 0.000 1.176 204 A CA 2.304 54.365 52.037 0.041 0.000 0.631 204 A CB -0.558 18.460 19.000 0.030 0.000 0.814 204 A HN 0.579 nan 8.150 nan 0.000 0.446 205 E N 0.527 120.752 120.200 0.043 0.000 2.051 205 E HA -0.172 4.178 4.350 0.000 0.000 0.192 205 E C 1.460 178.077 176.600 0.029 0.000 0.991 205 E CA 1.597 58.017 56.400 0.033 0.000 0.799 205 E CB -0.321 29.399 29.700 0.033 0.000 0.748 205 E HN 0.529 nan 8.360 nan 0.000 0.449 206 D N -0.084 120.346 120.400 0.049 0.000 2.149 206 D HA -0.153 4.487 4.640 0.000 0.000 0.198 206 D C 1.808 178.114 176.300 0.009 0.000 0.990 206 D CA 0.819 54.844 54.000 0.041 0.000 0.839 206 D CB -0.064 40.804 40.800 0.113 0.000 0.948 206 D HN 0.255 nan 8.370 nan 0.000 0.460 207 I N 0.676 121.269 120.570 0.038 0.000 2.353 207 I HA -0.152 4.018 4.170 0.000 0.000 0.248 207 I C 2.463 178.589 176.117 0.016 0.000 1.119 207 I CA 0.648 61.973 61.300 0.041 0.000 1.417 207 I CB -0.770 37.287 38.000 0.095 0.000 1.078 207 I HN 0.039 nan 8.210 nan 0.000 0.421 208 R N 1.423 121.934 120.500 0.019 0.000 2.070 208 R HA -0.172 4.168 4.340 0.000 0.000 0.233 208 R C 2.457 178.744 176.300 -0.022 0.000 1.137 208 R CA 1.561 57.668 56.100 0.012 0.000 0.945 208 R CB -0.087 30.221 30.300 0.014 0.000 0.845 208 R HN 0.260 nan 8.270 nan 0.000 0.430 209 R N 0.263 120.740 120.500 -0.039 0.000 2.073 209 R HA -0.149 4.191 4.340 0.000 0.000 0.234 209 R C 2.393 178.619 176.300 -0.125 0.000 1.134 209 R CA 1.452 57.513 56.100 -0.065 0.000 0.952 209 R CB -0.554 29.710 30.300 -0.059 0.000 0.850 209 R HN 0.192 nan 8.270 nan 0.000 0.433 210 L N 1.085 122.192 121.223 -0.193 0.000 2.046 210 L HA -0.167 4.173 4.340 0.000 0.000 0.208 210 L C 2.309 178.905 176.870 -0.457 0.000 1.077 210 L CA 2.324 56.933 54.840 -0.386 0.000 0.747 210 L CB -0.820 40.900 42.059 -0.566 0.000 0.896 210 L HN 0.348 nan 8.230 nan 0.000 0.432 211 T N -3.131 111.262 114.554 -0.268 0.000 2.821 211 T HA -0.095 4.255 4.350 0.000 0.000 0.267 211 T C 1.901 176.605 174.700 0.006 0.000 1.046 211 T CA 1.024 63.128 62.100 0.006 0.000 1.139 211 T CB -0.871 68.104 68.868 0.177 0.000 0.871 211 T HN 0.366 nan 8.240 nan 0.000 0.454 212 A N 1.346 124.145 122.820 -0.035 0.000 1.873 212 A HA 0.087 4.407 4.320 0.000 0.000 0.215 212 A C 2.661 180.221 177.584 -0.041 0.000 1.186 212 A CA 1.601 53.623 52.037 -0.025 0.000 0.616 212 A CB -1.151 17.831 19.000 -0.029 0.000 0.823 212 A HN 0.397 nan 8.150 nan 0.000 0.442 213 V N 0.442 120.309 119.914 -0.079 0.000 2.255 213 V HA -0.272 3.848 4.120 0.000 0.000 0.247 213 V C 2.711 178.770 176.094 -0.057 0.000 1.051 213 V CA 2.467 64.719 62.300 -0.081 0.000 1.018 213 V CB -0.880 30.873 31.823 -0.116 0.000 0.641 213 V HN 0.676 nan 8.190 nan 0.000 0.445 214 R N 0.578 121.041 120.500 -0.062 0.000 2.105 214 R HA -0.170 4.170 4.340 0.000 0.000 0.239 214 R C 2.186 178.515 176.300 0.048 0.000 1.135 214 R CA 1.724 57.836 56.100 0.019 0.000 0.967 214 R CB -0.750 29.618 30.300 0.114 0.000 0.861 214 R HN 0.504 nan 8.270 nan 0.000 0.442 215 E N 0.154 120.378 120.200 0.040 0.000 2.051 215 E HA -0.108 4.242 4.350 0.000 0.000 0.192 215 E C 1.681 178.285 176.600 0.007 0.000 0.991 215 E CA 1.646 58.067 56.400 0.036 0.000 0.799 215 E CB -0.264 29.456 29.700 0.032 0.000 0.748 215 E HN 0.404 nan 8.360 nan 0.000 0.449 216 A N 0.738 123.549 122.820 -0.015 0.000 1.929 216 A HA -0.064 4.256 4.320 0.000 0.000 0.216 216 A C 2.454 180.002 177.584 -0.061 0.000 1.176 216 A CA 0.863 52.878 52.037 -0.038 0.000 0.628 216 A CB -0.523 18.447 19.000 -0.050 0.000 0.816 216 A HN 0.264 nan 8.150 nan 0.000 0.444 217 L N -1.267 119.923 121.223 -0.055 0.000 2.109 217 L HA 0.174 4.514 4.340 0.000 0.000 0.207 217 L C 1.341 178.201 176.870 -0.016 0.000 1.086 217 L CA 0.693 55.485 54.840 -0.081 0.000 0.760 217 L CB -0.831 41.233 42.059 0.007 0.000 0.910 217 L HN 0.639 nan 8.230 nan 0.000 0.437 218 G N -0.310 108.506 108.800 0.026 0.000 2.663 218 G HA2 -0.198 3.762 3.960 0.000 0.000 0.686 218 G HA3 -0.198 3.762 3.960 0.000 0.000 0.686 218 G C -0.303 174.645 174.900 0.081 0.000 1.246 218 G CA -0.254 44.873 45.100 0.046 0.000 0.795 218 G HN 0.122 nan 8.290 nan 0.000 0.627 219 D N 0.285 120.726 120.400 0.069 0.000 2.172 219 D HA -0.087 4.553 4.640 0.000 0.000 0.196 219 D C 2.224 178.572 176.300 0.080 0.000 0.999 219 D CA 1.956 55.998 54.000 0.069 0.000 0.856 219 D CB 0.233 41.062 40.800 0.048 0.000 0.934 219 D HN 0.516 nan 8.370 nan 0.000 0.453 220 E N -0.583 119.676 120.200 0.097 0.000 2.190 220 E HA 0.004 4.354 4.350 0.000 0.000 0.191 220 E C 0.443 177.119 176.600 0.126 0.000 0.978 220 E CA -0.236 56.224 56.400 0.099 0.000 0.839 220 E CB -0.313 29.443 29.700 0.094 0.000 0.787 220 E HN 0.269 nan 8.360 nan 0.000 0.473 221 F N 3.325 123.283 119.950 0.013 0.000 2.590 221 F HA 0.064 4.591 4.527 0.000 0.000 0.389 221 F C -1.901 173.884 175.800 -0.025 0.000 1.049 221 F CA -2.194 55.812 58.000 0.009 0.000 1.199 221 F CB 0.394 39.393 39.000 -0.001 0.000 1.058 221 F HN -0.208 nan 8.300 nan 0.000 0.556 222 P HA 0.044 nan 4.420 nan 0.000 0.261 222 P C -1.199 175.873 177.300 -0.379 0.000 1.183 222 P CA 0.277 63.144 63.100 -0.388 0.000 0.761 222 P CB 0.536 32.005 31.700 -0.385 0.000 0.785 223 L N 5.333 126.342 121.223 -0.357 0.000 2.408 223 L HA 0.675 5.015 4.340 0.000 0.000 0.268 223 L C -0.940 175.604 176.870 -0.542 0.000 0.986 223 L CA -0.593 54.042 54.840 -0.342 0.000 0.820 223 L CB 1.640 43.603 42.059 -0.159 0.000 1.303 223 L HN 0.268 nan 8.230 nan 0.000 0.411 224 M N 4.802 124.013 119.600 -0.649 0.000 2.618 224 M HA 0.806 5.286 4.480 0.000 0.000 0.281 224 M C -1.079 174.934 176.300 -0.479 0.000 1.267 224 M CA -0.882 53.936 55.300 -0.804 0.000 0.845 224 M CB 1.457 33.042 32.600 -1.691 0.000 1.732 224 M HN 0.432 nan 8.290 nan 0.000 0.461 225 V N -1.434 118.296 119.914 -0.308 0.000 3.001 225 V HA 0.892 5.012 4.120 0.000 0.000 0.314 225 V C -1.673 174.388 176.094 -0.056 0.000 1.099 225 V CA -0.421 61.784 62.300 -0.158 0.000 0.989 225 V CB 2.220 33.992 31.823 -0.086 0.000 1.040 225 V HN 0.963 nan 8.190 nan 0.000 0.434 226 D N 1.785 122.122 120.400 -0.105 0.000 2.686 226 D HA 0.719 5.359 4.640 0.000 0.000 0.249 226 D C 0.302 176.460 176.300 -0.236 0.000 1.260 226 D CA 0.169 54.107 54.000 -0.103 0.000 0.910 226 D CB 2.138 42.906 40.800 -0.054 0.000 1.323 226 D HN 0.901 nan 8.370 nan 0.000 0.561 227 A N 3.595 126.203 122.820 -0.354 0.000 2.238 227 A HA 0.122 4.442 4.320 0.000 0.000 0.210 227 A C 0.841 178.202 177.584 -0.373 0.000 1.179 227 A CA -0.068 51.602 52.037 -0.611 0.000 0.827 227 A CB -0.266 18.003 19.000 -1.217 0.000 0.856 227 A HN 0.701 nan 8.150 nan 0.000 0.488 228 N N 0.397 118.975 118.700 -0.204 0.000 2.714 228 N HA -0.243 4.497 4.740 0.000 0.000 0.252 228 N C -0.343 175.106 175.510 -0.102 0.000 1.014 228 N CA 1.289 54.272 53.050 -0.112 0.000 0.735 228 N CB -1.389 37.062 38.487 -0.060 0.000 0.924 228 N HN 0.795 nan 8.380 nan 0.000 0.540 229 Q N -2.898 116.841 119.800 -0.102 0.000 2.452 229 Q HA -0.273 4.067 4.340 0.000 0.000 0.248 229 Q C 0.152 176.118 176.000 -0.056 0.000 0.874 229 Q CA 1.122 56.898 55.803 -0.044 0.000 1.208 229 Q CB -0.917 27.822 28.738 0.003 0.000 1.569 229 Q HN 0.464 nan 8.270 nan 0.000 0.579 230 Q N -0.971 118.733 119.800 -0.159 0.000 2.320 230 Q HA 0.061 4.401 4.340 0.000 0.000 0.201 230 Q C -0.030 175.978 176.000 0.015 0.000 0.910 230 Q CA 0.625 56.363 55.803 -0.108 0.000 0.946 230 Q CB 0.352 28.999 28.738 -0.152 0.000 1.062 230 Q HN 0.314 nan 8.270 nan 0.000 0.503 231 W N 2.049 123.345 121.300 -0.006 0.000 2.578 231 W HA 0.245 4.905 4.660 0.000 0.000 0.346 231 W C 0.159 176.662 176.519 -0.025 0.000 1.075 231 W CA -1.636 55.700 57.345 -0.016 0.000 1.233 231 W CB 0.779 30.225 29.460 -0.024 0.000 1.358 231 W HN -0.001 nan 8.180 nan 0.000 0.574 232 D N -0.319 120.205 120.400 0.207 0.000 2.432 232 D HA 0.295 4.935 4.640 0.000 0.000 0.258 232 D C 1.117 177.450 176.300 0.054 0.000 1.146 232 D CA -0.502 53.554 54.000 0.093 0.000 1.015 232 D CB 0.962 41.795 40.800 0.054 0.000 1.107 232 D HN 0.214 nan 8.370 nan 0.000 0.529 233 R N -0.288 120.219 120.500 0.013 0.000 2.091 233 R HA -0.162 4.178 4.340 0.000 0.000 0.238 233 R C 1.780 178.052 176.300 -0.047 0.000 1.136 233 R CA 1.650 57.739 56.100 -0.019 0.000 0.959 233 R CB -0.339 29.948 30.300 -0.021 0.000 0.856 233 R HN 0.556 nan 8.270 nan 0.000 0.437 234 E N -0.288 119.885 120.200 -0.046 0.000 2.051 234 E HA -0.139 4.211 4.350 0.000 0.000 0.192 234 E C 2.007 178.530 176.600 -0.129 0.000 0.991 234 E CA 1.872 58.229 56.400 -0.071 0.000 0.799 234 E CB -0.289 29.380 29.700 -0.052 0.000 0.748 234 E HN 0.242 nan 8.360 nan 0.000 0.449 235 T N 0.639 115.100 114.554 -0.154 0.000 2.821 235 T HA -0.108 4.242 4.350 0.000 0.000 0.267 235 T C 1.964 176.338 174.700 -0.543 0.000 1.046 235 T CA 1.122 63.029 62.100 -0.322 0.000 1.139 235 T CB -0.378 68.311 68.868 -0.297 0.000 0.871 235 T HN 0.290 nan 8.240 nan 0.000 0.454 236 A N 1.585 124.201 122.820 -0.340 0.000 1.851 236 A HA -0.090 4.230 4.320 0.000 0.000 0.216 236 A C 2.271 179.695 177.584 -0.267 0.000 1.195 236 A CA 1.590 53.457 52.037 -0.283 0.000 0.622 236 A CB -0.936 18.075 19.000 0.018 0.000 0.831 236 A HN 0.412 nan 8.150 nan 0.000 0.444 237 I N -0.199 120.273 120.570 -0.162 0.000 2.163 237 I HA -0.236 3.934 4.170 0.000 0.000 0.243 237 I C 2.431 178.456 176.117 -0.154 0.000 1.085 237 I CA 2.108 63.336 61.300 -0.120 0.000 1.347 237 I CB -0.472 37.480 38.000 -0.080 0.000 1.044 237 I HN 0.450 nan 8.210 nan 0.000 0.408 238 R N -0.232 120.152 120.500 -0.193 0.000 2.094 238 R HA -0.213 4.127 4.340 0.000 0.000 0.239 238 R C 2.208 178.377 176.300 -0.219 0.000 1.137 238 R CA 2.156 58.145 56.100 -0.186 0.000 0.943 238 R CB -0.268 29.916 30.300 -0.193 0.000 0.850 238 R HN 0.261 nan 8.270 nan 0.000 0.433 239 M N -0.099 119.273 119.600 -0.381 0.000 2.213 239 M HA -0.040 4.440 4.480 0.000 0.000 0.263 239 M C 2.314 178.500 176.300 -0.190 0.000 1.062 239 M CA 1.612 56.685 55.300 -0.379 0.000 1.105 239 M CB -1.146 30.930 32.600 -0.872 0.000 1.385 239 M HN 0.473 nan 8.290 nan 0.000 0.417 240 G N 0.494 109.188 108.800 -0.176 0.000 2.446 240 G HA2 -0.221 3.739 3.960 0.000 0.000 0.217 240 G HA3 -0.221 3.739 3.960 0.000 0.000 0.217 240 G C 1.721 176.607 174.900 -0.023 0.000 1.168 240 G CA 0.439 45.513 45.100 -0.044 0.000 0.771 240 G HN 0.294 nan 8.290 nan 0.000 0.551 241 R N 0.533 121.002 120.500 -0.053 0.000 2.083 241 R HA -0.052 4.288 4.340 0.000 0.000 0.237 241 R C 2.398 178.673 176.300 -0.042 0.000 1.137 241 R CA 1.494 57.568 56.100 -0.044 0.000 0.951 241 R CB -0.700 29.567 30.300 -0.055 0.000 0.851 241 R HN 0.338 nan 8.270 nan 0.000 0.434 242 K N 0.680 121.056 120.400 -0.041 0.000 2.147 242 K HA 0.017 4.338 4.320 0.000 0.000 0.205 242 K C 1.990 178.600 176.600 0.017 0.000 1.049 242 K CA 1.276 57.550 56.287 -0.023 0.000 0.936 242 K CB -0.051 32.446 32.500 -0.004 0.000 0.722 242 K HN 0.095 nan 8.250 nan 0.000 0.446 243 M N 0.331 119.992 119.600 0.102 0.000 2.558 243 M HA 0.000 4.480 4.480 0.000 0.000 0.255 243 M C 1.221 177.601 176.300 0.133 0.000 1.113 243 M CA 0.528 55.997 55.300 0.282 0.000 1.097 243 M CB 0.114 32.890 32.600 0.293 0.000 1.426 243 M HN 0.051 nan 8.290 nan 0.000 0.488 244 E N 1.428 121.638 120.200 0.017 0.000 2.187 244 E HA -0.263 4.087 4.350 0.000 0.000 0.199 244 E C 1.927 178.483 176.600 -0.073 0.000 1.004 244 E CA 1.575 57.968 56.400 -0.011 0.000 0.813 244 E CB -0.359 29.325 29.700 -0.027 0.000 0.736 244 E HN 0.735 nan 8.360 nan 0.000 0.468 245 Q N -0.442 119.228 119.800 -0.217 0.000 2.224 245 Q HA -0.118 4.222 4.340 0.000 0.000 0.203 245 Q C 1.602 177.393 176.000 -0.349 0.000 0.970 245 Q CA 1.128 56.726 55.803 -0.342 0.000 0.865 245 Q CB -0.431 27.991 28.738 -0.527 0.000 0.922 245 Q HN 0.214 nan 8.270 nan 0.000 0.445 246 F N 1.662 121.601 119.950 -0.018 0.000 2.748 246 F HA 0.165 4.692 4.527 0.000 0.000 0.299 246 F C -0.003 175.776 175.800 -0.035 0.000 1.154 246 F CA 0.226 58.210 58.000 -0.026 0.000 1.446 246 F CB -0.571 38.409 39.000 -0.033 0.000 1.112 246 F HN 0.147 nan 8.300 nan 0.000 0.584 247 N N 1.263 120.016 118.700 0.088 0.000 2.696 247 N HA -0.206 4.534 4.740 0.000 0.000 0.256 247 N C -0.737 174.785 175.510 0.019 0.000 1.031 247 N CA -0.329 52.748 53.050 0.045 0.000 0.730 247 N CB -1.351 37.154 38.487 0.031 0.000 0.894 247 N HN 0.243 nan 8.380 nan 0.000 0.544 248 L N 0.832 122.063 121.223 0.012 0.000 2.417 248 L HA 0.162 4.502 4.340 0.000 0.000 0.268 248 L C 2.026 178.799 176.870 -0.162 0.000 1.158 248 L CA -0.785 53.992 54.840 -0.105 0.000 0.819 248 L CB 0.439 42.445 42.059 -0.087 0.000 1.112 248 L HN 0.209 nan 8.230 nan 0.000 0.458 249 I N 0.720 121.061 120.570 -0.381 0.000 2.394 249 I HA -0.119 4.051 4.170 0.000 0.000 0.251 249 I C 0.301 176.269 176.117 -0.248 0.000 1.136 249 I CA 1.296 62.350 61.300 -0.411 0.000 1.425 249 I CB -0.860 36.573 38.000 -0.945 0.000 1.079 249 I HN 0.804 nan 8.210 nan 0.000 0.425 250 W N -0.462 120.615 121.300 -0.372 0.000 2.986 250 W HA 0.579 5.239 4.660 -0.000 0.000 0.345 250 W C -2.027 174.362 176.519 -0.217 0.000 1.191 250 W CA -1.685 55.475 57.345 -0.309 0.000 1.170 250 W CB -0.131 28.984 29.460 -0.574 0.000 1.438 250 W HN -0.269 nan 8.180 nan 0.000 0.567 251 I N 2.321 123.078 120.570 0.312 0.000 2.410 251 I HA 0.257 4.427 4.170 0.000 0.000 0.286 251 I C -0.249 175.999 176.117 0.218 0.000 1.009 251 I CA -0.812 60.632 61.300 0.239 0.000 1.111 251 I CB 1.699 39.823 38.000 0.206 0.000 1.262 251 I HN 0.546 nan 8.210 nan 0.000 0.443 252 E N 6.366 126.682 120.200 0.194 0.000 2.231 252 E HA 0.206 4.556 4.350 0.000 0.000 0.277 252 E C -0.407 176.191 176.600 -0.003 0.000 0.999 252 E CA -0.408 56.002 56.400 0.017 0.000 0.827 252 E CB 0.883 30.593 29.700 0.017 0.000 1.101 252 E HN 0.486 nan 8.360 nan 0.000 0.393 253 E N 2.732 122.938 120.200 0.010 0.000 2.160 253 E HA -0.179 4.171 4.350 0.000 0.000 0.180 253 E C -1.833 174.782 176.600 0.025 0.000 1.452 253 E CA 0.106 56.542 56.400 0.061 0.000 0.683 253 E CB -0.399 29.277 29.700 -0.039 0.000 1.072 253 E HN 0.516 nan 8.360 nan 0.000 0.332 254 P HA -0.084 nan 4.420 nan 0.000 0.225 254 P C 0.576 177.923 177.300 0.077 0.000 1.156 254 P CA 1.139 64.311 63.100 0.120 0.000 0.787 254 P CB 0.404 32.260 31.700 0.260 0.000 0.802 255 L N -1.588 119.597 121.223 -0.063 0.000 2.250 255 L HA 0.445 4.785 4.340 0.000 0.000 0.252 255 L C 0.065 176.983 176.870 0.081 0.000 1.054 255 L CA -1.363 53.443 54.840 -0.057 0.000 0.856 255 L CB 0.551 42.453 42.059 -0.262 0.000 1.443 255 L HN -0.323 nan 8.230 nan 0.000 0.427 256 D N 0.271 120.719 120.400 0.081 0.000 2.571 256 D HA 0.075 4.715 4.640 0.000 0.000 0.231 256 D C 0.946 177.341 176.300 0.159 0.000 1.133 256 D CA 0.806 54.874 54.000 0.113 0.000 0.862 256 D CB 1.406 42.274 40.800 0.114 0.000 1.179 256 D HN 0.621 nan 8.370 nan 0.000 0.474 257 A N 3.448 126.298 122.820 0.050 0.000 2.076 257 A HA -0.190 4.130 4.320 0.000 0.000 0.220 257 A C 1.230 178.571 177.584 -0.404 0.000 1.160 257 A CA 1.210 53.129 52.037 -0.197 0.000 0.653 257 A CB -0.564 18.244 19.000 -0.320 0.000 0.801 257 A HN 0.755 nan 8.150 nan 0.000 0.455 258 Y N -1.088 119.203 120.300 -0.015 0.000 2.507 258 Y HA 0.177 4.727 4.550 0.000 0.000 0.254 258 Y C 0.460 176.369 175.900 0.015 0.000 1.171 258 Y CA -0.657 57.424 58.100 -0.031 0.000 1.238 258 Y CB 0.467 38.905 38.460 -0.037 0.000 1.148 258 Y HN 0.190 nan 8.280 nan 0.000 0.525 259 D N 1.232 121.735 120.400 0.171 0.000 2.517 259 D HA 0.120 4.761 4.640 0.000 0.000 0.220 259 D C 1.096 177.513 176.300 0.195 0.000 1.158 259 D CA 0.277 54.371 54.000 0.157 0.000 0.992 259 D CB -0.195 40.674 40.800 0.115 0.000 1.058 259 D HN 0.324 nan 8.370 nan 0.000 0.516 260 I N 1.402 122.032 120.570 0.099 0.000 2.142 260 I HA -0.229 3.942 4.170 0.000 0.000 0.240 260 I C 2.093 178.254 176.117 0.074 0.000 1.078 260 I CA 0.851 62.186 61.300 0.058 0.000 1.343 260 I CB -0.027 37.973 38.000 0.000 0.000 1.046 260 I HN 0.313 nan 8.210 nan 0.000 0.405 261 E N 0.957 121.188 120.200 0.051 0.000 2.153 261 E HA -0.153 4.197 4.350 0.000 0.000 0.194 261 E C 2.306 178.927 176.600 0.036 0.000 0.988 261 E CA 1.186 57.608 56.400 0.036 0.000 0.811 261 E CB -0.318 29.396 29.700 0.024 0.000 0.746 261 E HN 0.621 nan 8.360 nan 0.000 0.466 262 G N 0.921 109.741 108.800 0.033 0.000 2.408 262 G HA2 -0.243 3.717 3.960 0.000 0.000 0.217 262 G HA3 -0.243 3.717 3.960 0.000 0.000 0.217 262 G C 1.351 176.221 174.900 -0.049 0.000 1.150 262 G CA 0.584 45.672 45.100 -0.020 0.000 0.776 262 G HN 0.271 nan 8.290 nan 0.000 0.542 263 H N 0.635 119.705 119.070 -0.001 0.000 2.326 263 H HA 0.037 4.593 4.556 0.000 0.000 0.301 263 H C 3.014 178.341 175.328 -0.002 0.000 1.081 263 H CA 1.216 57.261 56.048 -0.004 0.000 1.334 263 H CB -0.243 29.499 29.762 -0.034 0.000 1.385 263 H HN 0.373 nan 8.280 nan 0.000 0.504 264 A N 1.083 123.974 122.820 0.118 0.000 1.908 264 A HA -0.252 4.068 4.320 0.000 0.000 0.218 264 A C 2.395 180.004 177.584 0.042 0.000 1.181 264 A CA 1.991 54.065 52.037 0.062 0.000 0.627 264 A CB -0.704 18.319 19.000 0.039 0.000 0.818 264 A HN 0.512 nan 8.150 nan 0.000 0.445 265 Q N -1.170 118.648 119.800 0.030 0.000 2.084 265 Q HA -0.164 4.176 4.340 0.000 0.000 0.202 265 Q C 1.895 177.903 176.000 0.013 0.000 0.978 265 Q CA 1.567 57.379 55.803 0.014 0.000 0.844 265 Q CB -0.206 28.534 28.738 0.003 0.000 0.898 265 Q HN 0.452 nan 8.270 nan 0.000 0.426 266 L N 0.437 121.668 121.223 0.013 0.000 2.056 266 L HA -0.021 4.319 4.340 0.000 0.000 0.207 266 L C 2.302 179.196 176.870 0.041 0.000 1.078 266 L CA 1.982 56.831 54.840 0.015 0.000 0.749 266 L CB -0.952 41.108 42.059 0.001 0.000 0.901 266 L HN 0.325 nan 8.230 nan 0.000 0.433 267 A N -1.224 121.631 122.820 0.058 0.000 2.015 267 A HA -0.009 4.312 4.320 0.000 0.000 0.219 267 A C 2.341 179.955 177.584 0.049 0.000 1.163 267 A CA 1.416 53.493 52.037 0.066 0.000 0.646 267 A CB -0.687 18.356 19.000 0.072 0.000 0.806 267 A HN 0.417 nan 8.150 nan 0.000 0.448 268 A N -0.730 122.111 122.820 0.036 0.000 2.021 268 A HA 0.430 4.750 4.320 0.000 0.000 0.216 268 A C 2.256 179.852 177.584 0.021 0.000 1.163 268 A CA 1.347 53.400 52.037 0.027 0.000 0.676 268 A CB -0.490 18.523 19.000 0.021 0.000 0.818 268 A HN 0.853 nan 8.150 nan 0.000 0.453 269 A N -0.761 122.070 122.820 0.019 0.000 2.030 269 A HA 0.467 4.787 4.320 0.000 0.000 0.215 269 A C 0.814 178.406 177.584 0.014 0.000 1.164 269 A CA 0.274 52.317 52.037 0.010 0.000 0.697 269 A CB -0.147 18.854 19.000 0.001 0.000 0.827 269 A HN 0.390 nan 8.150 nan 0.000 0.457 270 L N -0.549 120.689 121.223 0.025 0.000 2.331 270 L HA 0.378 4.718 4.340 0.000 0.000 0.275 270 L C 0.162 177.058 176.870 0.043 0.000 1.022 270 L CA -0.836 54.022 54.840 0.031 0.000 0.812 270 L CB 1.396 43.479 42.059 0.041 0.000 1.257 270 L HN 0.015 nan 8.230 nan 0.000 0.435 271 D N -0.069 120.355 120.400 0.040 0.000 2.194 271 D HA -0.041 4.599 4.640 0.000 0.000 0.204 271 D C 0.486 176.829 176.300 0.072 0.000 0.964 271 D CA 0.843 54.872 54.000 0.048 0.000 0.846 271 D CB 0.169 40.990 40.800 0.036 0.000 0.962 271 D HN 0.498 nan 8.370 nan 0.000 0.490 272 T N 3.126 117.724 114.554 0.074 0.000 2.867 272 T HA 0.129 4.479 4.350 0.000 0.000 0.297 272 T C -2.339 172.443 174.700 0.137 0.000 0.989 272 T CA -0.913 61.245 62.100 0.098 0.000 1.159 272 T CB 1.087 70.008 68.868 0.089 0.000 0.928 272 T HN -0.053 nan 8.240 nan 0.000 0.538 273 P HA 0.181 nan 4.420 nan 0.000 0.269 273 P C -0.475 176.973 177.300 0.247 0.000 1.209 273 P CA -0.334 62.934 63.100 0.279 0.000 0.776 273 P CB 0.427 32.435 31.700 0.514 0.000 0.876 274 I N 1.566 122.266 120.570 0.215 0.000 2.441 274 I HA 0.595 4.765 4.170 0.000 0.000 0.295 274 I C 0.187 176.357 176.117 0.090 0.000 0.994 274 I CA -0.861 60.531 61.300 0.154 0.000 1.144 274 I CB 1.174 39.262 38.000 0.147 0.000 1.314 274 I HN 0.331 nan 8.210 nan 0.000 0.445 275 A N 4.156 126.938 122.820 -0.062 0.000 2.386 275 A HA 0.880 5.200 4.320 0.000 0.000 0.311 275 A C -0.404 177.033 177.584 -0.246 0.000 1.068 275 A CA -0.507 51.364 52.037 -0.277 0.000 0.743 275 A CB 2.117 20.565 19.000 -0.919 0.000 1.258 275 A HN 0.704 nan 8.150 nan 0.000 0.429 276 T N -0.665 113.727 114.554 -0.271 0.000 2.733 276 T HA 0.588 4.938 4.350 0.000 0.000 0.312 276 T C 0.351 174.879 174.700 -0.287 0.000 1.590 276 T CA 0.693 62.612 62.100 -0.300 0.000 1.005 276 T CB 0.970 69.545 68.868 -0.490 0.000 1.528 276 T HN 2.443 nan 8.240 nan 0.000 0.496 277 G N 1.539 110.159 108.800 -0.301 0.000 2.551 277 G HA2 -0.155 3.806 3.960 0.000 0.000 0.186 277 G HA3 -0.155 3.806 3.960 0.000 0.000 0.186 277 G C 0.748 175.553 174.900 -0.159 0.000 1.002 277 G CA 1.205 46.135 45.100 -0.285 0.000 0.723 277 G HN 1.010 nan 8.290 nan 0.000 0.481 278 E N 0.474 120.587 120.200 -0.145 0.000 2.171 278 E HA -0.097 4.253 4.350 0.000 0.000 0.197 278 E C 2.147 178.668 176.600 -0.130 0.000 0.997 278 E CA 1.809 58.121 56.400 -0.146 0.000 0.810 278 E CB -0.216 29.214 29.700 -0.450 0.000 0.738 278 E HN 0.415 nan 8.360 nan 0.000 0.467 279 M N 0.744 120.240 119.600 -0.172 0.000 2.558 279 M HA 0.199 4.679 4.480 0.000 0.000 0.255 279 M C 0.609 176.848 176.300 -0.102 0.000 1.113 279 M CA 0.364 55.595 55.300 -0.115 0.000 1.097 279 M CB -0.525 32.009 32.600 -0.110 0.000 1.426 279 M HN 0.123 nan 8.290 nan 0.000 0.488 280 L N 1.242 122.342 121.223 -0.205 0.000 2.461 280 L HA 0.067 4.407 4.340 0.000 0.000 0.272 280 L C 1.132 178.012 176.870 0.017 0.000 1.197 280 L CA 0.072 54.784 54.840 -0.214 0.000 0.836 280 L CB 0.208 41.894 42.059 -0.621 0.000 1.105 280 L HN 0.266 nan 8.230 nan 0.000 0.477 281 T N -2.266 112.325 114.554 0.062 0.000 3.355 281 T HA 0.400 4.750 4.350 0.000 0.000 0.276 281 T C -0.076 174.699 174.700 0.125 0.000 1.003 281 T CA -0.106 62.056 62.100 0.104 0.000 0.943 281 T CB -0.099 68.817 68.868 0.080 0.000 1.158 281 T HN 0.721 nan 8.240 nan 0.000 0.513 282 S N -0.470 115.325 115.700 0.158 0.000 2.686 282 S HA 0.398 4.868 4.470 0.000 0.000 0.273 282 S C -0.019 174.697 174.600 0.195 0.000 1.060 282 S CA -0.876 57.424 58.200 0.166 0.000 0.845 282 S CB 0.069 63.343 63.200 0.124 0.000 1.086 282 S HN 0.091 nan 8.310 nan 0.000 0.461 283 F N 2.016 121.998 119.950 0.052 0.000 2.102 283 F HA 0.111 4.638 4.527 -0.000 0.000 0.298 283 F C 2.461 178.282 175.800 0.034 0.000 1.105 283 F CA 1.689 59.700 58.000 0.017 0.000 1.239 283 F CB -0.245 38.737 39.000 -0.030 0.000 0.991 283 F HN 0.676 nan 8.300 nan 0.000 0.474 284 R N 0.442 120.976 120.500 0.056 0.000 2.117 284 R HA -0.203 4.137 4.340 0.000 0.000 0.243 284 R C 2.100 178.316 176.300 -0.139 0.000 1.143 284 R CA 2.074 58.143 56.100 -0.052 0.000 0.968 284 R CB -0.654 29.689 30.300 0.073 0.000 0.863 284 R HN 0.485 nan 8.270 nan 0.000 0.444 285 E N -0.728 119.424 120.200 -0.080 0.000 2.072 285 E HA -0.176 4.174 4.350 0.000 0.000 0.191 285 E C 1.879 178.326 176.600 -0.256 0.000 0.985 285 E CA 1.171 57.505 56.400 -0.110 0.000 0.801 285 E CB -0.126 29.537 29.700 -0.061 0.000 0.750 285 E HN 0.486 nan 8.360 nan 0.000 0.452 286 H N 0.383 119.272 119.070 -0.301 0.000 2.387 286 H HA -0.085 4.471 4.556 0.000 0.000 0.299 286 H C 2.049 177.114 175.328 -0.439 0.000 1.090 286 H CA 1.555 57.384 56.048 -0.364 0.000 1.332 286 H CB 0.123 29.662 29.762 -0.372 0.000 1.386 286 H HN 0.178 nan 8.280 nan 0.000 0.516 287 E N 0.231 120.144 120.200 -0.478 0.000 2.058 287 E HA -0.244 4.106 4.350 0.000 0.000 0.194 287 E C 1.834 178.261 176.600 -0.290 0.000 0.997 287 E CA 1.028 57.130 56.400 -0.498 0.000 0.801 287 E CB 0.194 29.523 29.700 -0.619 0.000 0.746 287 E HN 0.404 nan 8.360 nan 0.000 0.450 288 Q N 0.198 119.864 119.800 -0.223 0.000 2.096 288 Q HA -0.159 4.181 4.340 0.000 0.000 0.204 288 Q C 2.328 178.231 176.000 -0.161 0.000 0.982 288 Q CA 0.893 56.608 55.803 -0.148 0.000 0.850 288 Q CB -0.303 28.377 28.738 -0.096 0.000 0.901 288 Q HN 0.387 nan 8.270 nan 0.000 0.422 289 L N 0.114 121.208 121.223 -0.215 0.000 2.046 289 L HA -0.135 4.205 4.340 0.000 0.000 0.208 289 L C 2.400 179.146 176.870 -0.207 0.000 1.077 289 L CA 1.284 55.991 54.840 -0.222 0.000 0.747 289 L CB -0.887 40.986 42.059 -0.311 0.000 0.896 289 L HN 0.236 nan 8.230 nan 0.000 0.432 290 I N -0.336 120.081 120.570 -0.256 0.000 2.179 290 I HA -0.326 3.844 4.170 0.000 0.000 0.242 290 I C 2.502 178.413 176.117 -0.344 0.000 1.088 290 I CA 1.085 62.186 61.300 -0.331 0.000 1.357 290 I CB -0.185 37.549 38.000 -0.443 0.000 1.051 290 I HN 0.203 nan 8.210 nan 0.000 0.409 291 L N 0.328 121.394 121.223 -0.262 0.000 2.201 291 L HA -0.098 4.242 4.340 0.000 0.000 0.212 291 L C 2.239 179.079 176.870 -0.050 0.000 1.105 291 L CA 1.175 55.946 54.840 -0.116 0.000 0.775 291 L CB -0.814 41.208 42.059 -0.062 0.000 0.913 291 L HN 0.319 nan 8.230 nan 0.000 0.440 292 G N -0.947 107.808 108.800 -0.074 0.000 3.181 292 G HA2 -0.037 3.923 3.960 0.000 0.000 0.219 292 G HA3 -0.037 3.923 3.960 0.000 0.000 0.219 292 G C 0.417 175.301 174.900 -0.027 0.000 1.182 292 G CA -0.223 44.854 45.100 -0.038 0.000 0.791 292 G HN 0.577 nan 8.290 nan 0.000 0.537 293 N N -0.954 117.725 118.700 -0.035 0.000 2.716 293 N HA -0.276 4.464 4.740 0.000 0.000 0.250 293 N C 1.543 177.046 175.510 -0.012 0.000 1.033 293 N CA 0.080 53.123 53.050 -0.012 0.000 0.727 293 N CB -0.553 37.946 38.487 0.021 0.000 0.950 293 N HN 0.428 nan 8.380 nan 0.000 0.541 294 A N -0.250 122.542 122.820 -0.047 0.000 1.930 294 A HA 0.053 4.373 4.320 0.000 0.000 0.217 294 A C 1.180 178.760 177.584 -0.008 0.000 1.175 294 A CA 1.770 53.791 52.037 -0.028 0.000 0.627 294 A CB 0.120 19.041 19.000 -0.132 0.000 0.815 294 A HN 0.628 nan 8.150 nan 0.000 0.443 295 S N -2.666 113.007 115.700 -0.044 0.000 2.596 295 S HA 0.430 4.900 4.470 0.000 0.000 0.270 295 S C -0.479 174.118 174.600 -0.005 0.000 1.155 295 S CA -0.320 57.874 58.200 -0.011 0.000 0.827 295 S CB 1.060 64.222 63.200 -0.063 0.000 1.130 295 S HN 0.168 nan 8.310 nan 0.000 0.467 296 D N -0.212 120.217 120.400 0.049 0.000 2.213 296 D HA 0.170 4.810 4.640 0.000 0.000 0.205 296 D C -0.506 175.723 176.300 -0.119 0.000 0.961 296 D CA 1.223 55.229 54.000 0.011 0.000 0.853 296 D CB 0.063 40.933 40.800 0.117 0.000 0.967 296 D HN 0.402 nan 8.370 nan 0.000 0.496 297 F N 0.795 120.678 119.950 -0.112 0.000 2.482 297 F HA 0.293 4.820 4.527 0.000 0.000 0.331 297 F C 0.043 175.693 175.800 -0.249 0.000 1.115 297 F CA -0.883 57.000 58.000 -0.196 0.000 0.955 297 F CB 2.045 40.821 39.000 -0.373 0.000 1.136 297 F HN -0.412 nan 8.300 nan 0.000 0.452 298 V N 3.597 123.457 119.914 -0.090 0.000 2.435 298 V HA 0.354 4.474 4.120 0.000 0.000 0.290 298 V C -0.562 175.438 176.094 -0.156 0.000 1.030 298 V CA -0.693 61.525 62.300 -0.137 0.000 0.881 298 V CB 1.563 33.285 31.823 -0.168 0.000 0.983 298 V HN 0.681 nan 8.190 nan 0.000 0.445 299 Q N 5.802 125.529 119.800 -0.122 0.000 2.788 299 Q HA 0.335 4.675 4.340 0.000 0.000 0.261 299 Q C -2.661 173.346 176.000 0.011 0.000 1.029 299 Q CA -1.679 54.071 55.803 -0.088 0.000 0.848 299 Q CB 1.669 30.336 28.738 -0.118 0.000 1.185 299 Q HN 0.512 nan 8.270 nan 0.000 0.482 300 P HA 0.102 nan 4.420 nan 0.000 0.276 300 P C -0.786 176.627 177.300 0.189 0.000 1.252 300 P CA -0.332 62.664 63.100 -0.174 0.000 0.802 300 P CB 0.878 32.030 31.700 -0.913 0.000 1.035 301 D N 0.224 120.835 120.400 0.352 0.000 2.473 301 D HA 0.320 4.960 4.640 0.000 0.000 0.253 301 D C 0.813 177.457 176.300 0.573 0.000 1.233 301 D CA -0.615 53.703 54.000 0.530 0.000 0.908 301 D CB 1.642 42.764 40.800 0.537 0.000 1.170 301 D HN 0.236 nan 8.370 nan 0.000 0.558 302 A N 5.406 128.647 122.820 0.702 0.000 1.892 302 A HA -0.089 4.231 4.320 0.000 0.000 0.218 302 A C -0.741 176.973 177.584 0.217 0.000 1.188 302 A CA 1.420 53.679 52.037 0.370 0.000 0.631 302 A CB -1.186 17.768 19.000 -0.076 0.000 0.822 302 A HN 0.487 nan 8.150 nan 0.000 0.447 303 P HA -0.138 nan 4.420 nan 0.000 0.215 303 P C 1.570 178.936 177.300 0.111 0.000 1.153 303 P CA 1.238 64.409 63.100 0.118 0.000 0.853 303 P CB -0.118 31.710 31.700 0.214 0.000 0.788 304 R N -0.388 120.210 120.500 0.162 0.000 2.115 304 R HA -0.037 4.303 4.340 0.000 0.000 0.230 304 R C 1.830 178.217 176.300 0.145 0.000 1.111 304 R CA 1.557 57.723 56.100 0.109 0.000 0.976 304 R CB -0.859 29.527 30.300 0.143 0.000 0.870 304 R HN 0.227 nan 8.270 nan 0.000 0.445 305 V N -3.578 116.458 119.914 0.203 0.000 3.649 305 V HA 0.384 4.505 4.120 0.000 0.000 0.275 305 V C 1.007 177.224 176.094 0.204 0.000 1.281 305 V CA 0.882 63.301 62.300 0.199 0.000 1.143 305 V CB 0.428 32.370 31.823 0.198 0.000 0.892 305 V HN 0.409 nan 8.190 nan 0.000 0.441 306 G N -1.760 107.165 108.800 0.209 0.000 2.175 306 G HA2 0.366 4.326 3.960 0.000 0.000 0.182 306 G HA3 0.366 4.326 3.960 0.000 0.000 0.182 306 G C 0.885 175.984 174.900 0.332 0.000 1.003 306 G CA -0.058 45.210 45.100 0.280 0.000 0.666 306 G HN 2.202 nan 8.290 nan 0.000 0.506 307 G N -1.093 107.848 108.800 0.235 0.000 2.422 307 G HA2 0.119 4.079 3.960 0.000 0.000 0.607 307 G HA3 0.119 4.079 3.960 0.000 0.000 0.607 307 G C 0.759 175.752 174.900 0.154 0.000 1.270 307 G CA -0.083 45.135 45.100 0.195 0.000 0.992 307 G HN 0.854 nan 8.290 nan 0.000 0.499 308 I N 0.732 121.336 120.570 0.056 0.000 2.226 308 I HA -0.167 4.003 4.170 0.000 0.000 0.245 308 I C 2.959 179.045 176.117 -0.052 0.000 1.100 308 I CA 2.060 63.271 61.300 -0.149 0.000 1.374 308 I CB -0.443 37.216 38.000 -0.569 0.000 1.057 308 I HN 0.520 nan 8.210 nan 0.000 0.413 309 S N 1.186 116.981 115.700 0.158 0.000 2.359 309 S HA -0.115 4.355 4.470 0.000 0.000 0.223 309 S C -0.353 174.261 174.600 0.023 0.000 1.039 309 S CA 1.795 60.098 58.200 0.171 0.000 1.042 309 S CB -1.440 61.879 63.200 0.198 0.000 0.915 309 S HN 0.408 nan 8.310 nan 0.000 0.439 310 P HA -0.002 nan 4.420 nan 0.000 0.222 310 P C 1.279 178.640 177.300 0.102 0.000 1.153 310 P CA 0.743 63.850 63.100 0.010 0.000 0.798 310 P CB -0.116 31.611 31.700 0.044 0.000 0.796 311 F N 1.083 121.022 119.950 -0.018 0.000 2.171 311 F HA -0.141 4.386 4.527 0.000 0.000 0.300 311 F C 2.243 178.018 175.800 -0.041 0.000 1.090 311 F CA 1.236 59.214 58.000 -0.037 0.000 1.293 311 F CB -0.625 38.356 39.000 -0.032 0.000 1.013 311 F HN -0.300 nan 8.300 nan 0.000 0.486 312 L N 0.004 121.340 121.223 0.188 0.000 2.046 312 L HA -0.249 4.091 4.340 0.000 0.000 0.208 312 L C 2.349 179.245 176.870 0.043 0.000 1.077 312 L CA 1.560 56.458 54.840 0.097 0.000 0.747 312 L CB -0.708 41.351 42.059 -0.001 0.000 0.896 312 L HN 0.084 nan 8.230 nan 0.000 0.432 313 K N 0.209 120.609 120.400 -0.000 0.000 2.097 313 K HA -0.116 4.204 4.320 0.000 0.000 0.205 313 K C 2.063 178.769 176.600 0.176 0.000 1.050 313 K CA 1.192 57.453 56.287 -0.043 0.000 0.938 313 K CB -0.137 32.138 32.500 -0.375 0.000 0.718 313 K HN 0.245 nan 8.250 nan 0.000 0.442 314 I N 0.972 121.637 120.570 0.159 0.000 2.179 314 I HA -0.303 3.867 4.170 0.000 0.000 0.242 314 I C 2.472 178.525 176.117 -0.107 0.000 1.088 314 I CA 1.291 62.588 61.300 -0.006 0.000 1.357 314 I CB -0.220 37.533 38.000 -0.411 0.000 1.051 314 I HN 0.198 nan 8.210 nan 0.000 0.409 315 M N 0.169 119.687 119.600 -0.137 0.000 2.080 315 M HA -0.245 4.235 4.480 0.000 0.000 0.260 315 M C 1.854 178.271 176.300 0.195 0.000 1.068 315 M CA 1.827 57.154 55.300 0.045 0.000 1.109 315 M CB -0.672 32.042 32.600 0.190 0.000 1.342 315 M HN 0.190 nan 8.290 nan 0.000 0.405 316 D N 0.596 121.070 120.400 0.123 0.000 2.123 316 D HA -0.146 4.494 4.640 0.000 0.000 0.196 316 D C 1.807 178.177 176.300 0.117 0.000 0.992 316 D CA 1.080 55.137 54.000 0.096 0.000 0.833 316 D CB -0.373 40.466 40.800 0.066 0.000 0.954 316 D HN 0.190 nan 8.370 nan 0.000 0.455 317 L N 0.737 122.051 121.223 0.152 0.000 2.027 317 L HA -0.021 4.319 4.340 0.000 0.000 0.206 317 L C 2.095 179.060 176.870 0.158 0.000 1.074 317 L CA 1.724 56.668 54.840 0.175 0.000 0.745 317 L CB -0.842 41.321 42.059 0.173 0.000 0.898 317 L HN -0.012 nan 8.230 nan 0.000 0.433 318 A N -0.393 122.477 122.820 0.084 0.000 1.908 318 A HA -0.150 4.170 4.320 0.000 0.000 0.218 318 A C 2.464 180.152 177.584 0.174 0.000 1.181 318 A CA 1.964 54.050 52.037 0.082 0.000 0.627 318 A CB -1.239 17.775 19.000 0.023 0.000 0.818 318 A HN 0.582 nan 8.150 nan 0.000 0.445 319 A N -0.345 122.584 122.820 0.181 0.000 1.908 319 A HA -0.199 4.121 4.320 0.000 0.000 0.218 319 A C 2.112 179.704 177.584 0.013 0.000 1.181 319 A CA 1.928 53.978 52.037 0.021 0.000 0.627 319 A CB -0.483 18.421 19.000 -0.160 0.000 0.818 319 A HN 0.539 nan 8.150 nan 0.000 0.445 320 K N -1.361 119.077 120.400 0.062 0.000 2.152 320 K HA -0.178 4.142 4.320 0.000 0.000 0.206 320 K C 1.266 177.837 176.600 -0.049 0.000 1.048 320 K CA 1.641 57.937 56.287 0.015 0.000 0.933 320 K CB -0.229 32.304 32.500 0.055 0.000 0.721 320 K HN 0.668 nan 8.250 nan 0.000 0.447 321 H N -1.126 117.936 119.070 -0.015 0.000 2.524 321 H HA 0.151 4.707 4.556 0.000 0.000 0.280 321 H C 0.803 176.114 175.328 -0.029 0.000 1.018 321 H CA 0.530 56.565 56.048 -0.021 0.000 1.165 321 H CB 0.454 30.203 29.762 -0.023 0.000 1.411 321 H HN 0.389 nan 8.280 nan 0.000 0.569 322 G N 1.170 109.995 108.800 0.042 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 0.141 175.042 174.900 0.001 0.000 1.024 322 G CA -0.085 45.015 45.100 0.000 0.000 0.784 322 G HN 0.178 nan 8.290 nan 0.000 0.507 323 R N -0.238 120.281 120.500 0.033 0.000 2.528 323 R HA 0.535 4.875 4.340 0.000 0.000 0.271 323 R C 0.632 176.910 176.300 -0.037 0.000 1.056 323 R CA -0.609 55.466 56.100 -0.041 0.000 1.117 323 R CB 0.604 30.877 30.300 -0.045 0.000 1.085 323 R HN 0.129 nan 8.270 nan 0.000 0.530 324 K N 1.137 121.364 120.400 -0.287 0.000 2.098 324 K HA 0.361 4.681 4.320 0.000 0.000 0.257 324 K C -0.135 176.299 176.600 -0.277 0.000 0.999 324 K CA -0.926 55.165 56.287 -0.326 0.000 0.924 324 K CB 0.875 32.775 32.500 -0.999 0.000 1.028 324 K HN 0.282 nan 8.250 nan 0.000 0.466 325 L N 0.480 121.555 121.223 -0.246 0.000 2.341 325 L HA 0.497 4.837 4.340 0.000 0.000 0.278 325 L C -1.045 175.858 176.870 0.055 0.000 1.005 325 L CA -0.054 54.582 54.840 -0.340 0.000 0.818 325 L CB 1.728 43.182 42.059 -1.007 0.000 1.259 325 L HN 0.713 nan 8.230 nan 0.000 0.418 326 A N 5.695 128.552 122.820 0.062 0.000 3.127 326 A HA 0.639 4.959 4.320 0.000 0.000 0.319 326 A C -2.686 174.943 177.584 0.075 0.000 1.104 326 A CA -1.149 50.988 52.037 0.167 0.000 0.802 326 A CB -0.160 18.808 19.000 -0.054 0.000 1.193 326 A HN 0.507 nan 8.150 nan 0.000 0.479 327 P HA -0.039 nan 4.420 nan 0.000 0.267 327 P C -0.285 177.032 177.300 0.029 0.000 1.201 327 P CA 0.472 63.527 63.100 -0.075 0.000 0.775 327 P CB 0.264 31.777 31.700 -0.311 0.000 0.854 328 H N 4.222 123.266 119.070 -0.044 0.000 2.467 328 H HA 0.262 4.818 4.556 0.000 0.000 0.326 328 H C 0.452 176.008 175.328 0.380 0.000 1.094 328 H CA -0.472 55.689 56.048 0.189 0.000 1.253 328 H CB 0.173 30.052 29.762 0.196 0.000 1.439 328 H HN 0.307 nan 8.280 nan 0.000 0.479 329 F N 2.780 122.419 119.950 -0.519 0.000 2.089 329 F HA -0.388 4.139 4.527 -0.000 0.000 0.296 329 F C 0.784 176.557 175.800 -0.044 0.000 0.129 329 F CA 1.820 59.501 58.000 -0.532 0.000 0.853 329 F CB -1.245 37.128 39.000 -1.045 0.000 3.845 329 F HN 0.933 nan 8.300 nan 0.000 0.279 330 A N 0.914 123.167 122.820 -0.945 0.000 2.151 330 A HA -0.217 4.103 4.320 0.000 0.000 0.271 330 A C 1.374 178.756 177.584 -0.336 0.000 1.348 330 A CA 1.763 53.407 52.037 -0.656 0.000 0.763 330 A CB -1.872 16.831 19.000 -0.495 0.000 1.117 330 A HN 1.398 nan 8.150 nan 0.000 0.342 331 M N -1.722 117.753 119.600 -0.208 0.000 2.279 331 M HA -0.140 4.341 4.480 0.000 0.000 0.264 331 M C 1.259 177.525 176.300 -0.057 0.000 1.062 331 M CA 2.192 57.465 55.300 -0.045 0.000 1.099 331 M CB -0.581 32.024 32.600 0.008 0.000 1.394 331 M HN 0.406 nan 8.290 nan 0.000 0.426 332 E N 1.225 121.347 120.200 -0.130 0.000 2.204 332 E HA -0.083 4.267 4.350 0.000 0.000 0.195 332 E C 2.012 178.638 176.600 0.043 0.000 0.990 332 E CA 1.231 57.582 56.400 -0.081 0.000 0.821 332 E CB -0.279 29.069 29.700 -0.587 0.000 0.750 332 E HN 0.474 nan 8.360 nan 0.000 0.477 333 V N -0.319 119.498 119.914 -0.163 0.000 2.908 333 V HA -0.053 4.067 4.120 0.000 0.000 0.240 333 V C 1.575 177.541 176.094 -0.212 0.000 1.117 333 V CA 0.637 62.808 62.300 -0.215 0.000 1.133 333 V CB -0.242 31.267 31.823 -0.523 0.000 0.857 333 V HN 0.279 nan 8.190 nan 0.000 0.478 334 H N 0.047 119.026 119.070 -0.152 0.000 2.491 334 H HA -0.033 4.524 4.556 0.000 0.000 0.290 334 H C 2.076 177.349 175.328 -0.092 0.000 1.050 334 H CA 1.290 57.234 56.048 -0.173 0.000 1.309 334 H CB -0.101 29.601 29.762 -0.099 0.000 1.392 334 H HN 0.305 nan 8.280 nan 0.000 0.554 335 L N 0.817 122.043 121.223 0.004 0.000 2.012 335 L HA -0.197 4.143 4.340 0.000 0.000 0.210 335 L C 2.288 179.072 176.870 -0.142 0.000 1.073 335 L CA 1.837 56.621 54.840 -0.093 0.000 0.748 335 L CB -0.645 41.294 42.059 -0.200 0.000 0.891 335 L HN 0.254 nan 8.230 nan 0.000 0.431 336 H N -0.520 118.541 119.070 -0.014 0.000 2.326 336 H HA -0.076 4.480 4.556 0.000 0.000 0.301 336 H C 2.359 177.666 175.328 -0.035 0.000 1.081 336 H CA 1.981 58.011 56.048 -0.031 0.000 1.334 336 H CB -0.278 29.450 29.762 -0.057 0.000 1.385 336 H HN 0.371 nan 8.280 nan 0.000 0.504 337 L N 0.883 122.132 121.223 0.043 0.000 2.017 337 L HA -0.171 4.169 4.340 0.000 0.000 0.208 337 L C 2.823 179.777 176.870 0.139 0.000 1.073 337 L CA 1.542 56.392 54.840 0.017 0.000 0.745 337 L CB -0.506 41.421 42.059 -0.220 0.000 0.894 337 L HN 0.296 nan 8.230 nan 0.000 0.432 338 S N 0.015 115.787 115.700 0.121 0.000 2.402 338 S HA -0.106 4.364 4.470 0.000 0.000 0.229 338 S C 2.127 176.811 174.600 0.140 0.000 1.021 338 S CA 0.720 59.006 58.200 0.143 0.000 0.974 338 S CB -0.405 62.859 63.200 0.106 0.000 0.800 338 S HN 0.339 nan 8.310 nan 0.000 0.484 339 A N 1.598 124.467 122.820 0.083 0.000 2.015 339 A HA 0.426 4.746 4.320 0.000 0.000 0.219 339 A C 2.290 179.952 177.584 0.130 0.000 1.163 339 A CA 1.339 53.414 52.037 0.063 0.000 0.646 339 A CB -1.037 17.969 19.000 0.011 0.000 0.806 339 A HN 0.879 nan 8.150 nan 0.000 0.448 340 A N -2.294 120.622 122.820 0.160 0.000 2.251 340 A HA 0.312 4.632 4.320 0.000 0.000 0.209 340 A C 0.584 178.349 177.584 0.301 0.000 1.187 340 A CA -0.202 51.954 52.037 0.198 0.000 0.823 340 A CB -0.380 18.696 19.000 0.125 0.000 0.846 340 A HN 0.455 nan 8.150 nan 0.000 0.486 341 Y N 1.470 121.843 120.300 0.122 0.000 2.359 341 Y HA 0.265 4.815 4.550 0.000 0.000 0.330 341 Y C -1.213 174.632 175.900 -0.092 0.000 1.143 341 Y CA -2.078 56.050 58.100 0.047 0.000 1.318 341 Y CB 1.042 39.527 38.460 0.041 0.000 1.234 341 Y HN 0.093 nan 8.280 nan 0.000 0.522 342 P HA -0.159 nan 4.420 nan 0.000 0.215 342 P C -0.220 176.745 177.300 -0.558 0.000 1.153 342 P CA 1.460 64.027 63.100 -0.888 0.000 0.853 342 P CB 0.508 31.769 31.700 -0.731 0.000 0.788 343 L N -0.221 120.730 121.223 -0.453 0.000 2.379 343 L HA 0.340 4.680 4.340 0.000 0.000 0.269 343 L C 0.770 177.700 176.870 0.101 0.000 1.084 343 L CA -1.134 53.644 54.840 -0.104 0.000 0.802 343 L CB 0.265 42.317 42.059 -0.012 0.000 1.175 343 L HN -0.162 nan 8.230 nan 0.000 0.448 344 E N 4.102 124.326 120.200 0.040 0.000 2.498 344 E HA 0.046 4.396 4.350 0.000 0.000 0.252 344 E C -2.251 174.403 176.600 0.091 0.000 1.025 344 E CA -0.743 55.673 56.400 0.026 0.000 0.938 344 E CB 0.341 30.023 29.700 -0.030 0.000 0.947 344 E HN 0.199 nan 8.360 nan 0.000 0.478 345 P HA 0.372 nan 4.420 nan 0.000 0.304 345 P C -1.102 176.239 177.300 0.068 0.000 1.310 345 P CA -0.757 62.435 63.100 0.153 0.000 0.796 345 P CB 0.736 32.512 31.700 0.128 0.000 1.297 346 W N -0.747 120.715 121.300 0.271 0.000 2.915 346 W HA 0.547 5.207 4.660 -0.000 0.000 0.337 346 W C -0.919 175.784 176.519 0.306 0.000 1.102 346 W CA -0.527 57.018 57.345 0.332 0.000 1.224 346 W CB 1.942 31.717 29.460 0.525 0.000 1.416 346 W HN 0.125 nan 8.180 nan 0.000 0.503 347 L N 2.522 124.061 121.223 0.526 0.000 2.346 347 L HA 0.476 4.816 4.340 0.000 0.000 0.276 347 L C -0.277 176.690 176.870 0.161 0.000 1.006 347 L CA -0.613 54.408 54.840 0.302 0.000 0.817 347 L CB 1.630 43.782 42.059 0.155 0.000 1.272 347 L HN 0.449 nan 8.230 nan 0.000 0.421 348 E N 3.641 123.849 120.200 0.012 0.000 2.197 348 E HA 0.191 4.541 4.350 0.000 0.000 0.281 348 E C -1.345 175.176 176.600 -0.132 0.000 0.995 348 E CA -0.551 55.608 56.400 -0.402 0.000 0.808 348 E CB 0.613 30.269 29.700 -0.075 0.000 1.093 348 E HN 0.652 nan 8.360 nan 0.000 0.394 349 H N 5.147 123.999 119.070 -0.362 0.000 2.466 349 H HA 0.361 4.918 4.556 0.000 0.000 0.338 349 H C -1.680 173.493 175.328 -0.258 0.000 1.091 349 H CA -0.452 55.501 56.048 -0.158 0.000 1.207 349 H CB 0.423 30.111 29.762 -0.124 0.000 1.466 349 H HN 0.452 nan 8.280 nan 0.000 0.493 350 F N 2.501 121.923 119.950 -0.880 0.000 2.588 350 F HA 0.137 4.664 4.527 0.000 0.000 0.310 350 F C 1.128 176.455 175.800 -0.789 0.000 1.082 350 F CA -0.761 56.778 58.000 -0.769 0.000 0.929 350 F CB 2.021 40.614 39.000 -0.678 0.000 1.254 350 F HN 0.590 nan 8.300 nan 0.000 0.455 351 E N 0.874 120.982 120.200 -0.153 0.000 2.474 351 E HA -0.036 4.314 4.350 0.000 0.000 0.195 351 E C 0.848 177.638 176.600 0.317 0.000 1.039 351 E CA 0.219 56.682 56.400 0.105 0.000 0.881 351 E CB -0.079 29.782 29.700 0.268 0.000 0.970 351 E HN 0.657 nan 8.360 nan 0.000 0.486 352 W N 1.787 123.166 121.300 0.131 0.000 2.318 352 W HA -0.093 4.567 4.660 0.001 0.000 0.313 352 W C 2.053 178.585 176.519 0.022 0.000 1.221 352 W CA 0.794 58.197 57.345 0.097 0.000 1.266 352 W CB -0.918 28.627 29.460 0.141 0.000 1.150 352 W HN 0.087 nan 8.180 nan 0.000 0.496 353 L N 0.570 121.916 121.223 0.206 0.000 2.591 353 L HA -0.017 4.323 4.340 0.000 0.000 0.228 353 L C 1.782 178.630 176.870 -0.037 0.000 1.133 353 L CA 0.106 54.936 54.840 -0.015 0.000 0.880 353 L CB -0.794 41.179 42.059 -0.144 0.000 1.033 353 L HN -0.060 nan 8.230 nan 0.000 0.450 354 N N 1.206 119.962 118.700 0.094 0.000 2.094 354 N HA -0.158 4.582 4.740 0.000 0.000 0.191 354 N C -0.735 174.819 175.510 0.074 0.000 1.023 354 N CA 1.500 54.630 53.050 0.135 0.000 0.857 354 N CB -1.424 37.166 38.487 0.172 0.000 1.013 354 N HN 0.246 nan 8.380 nan 0.000 0.426 355 P HA -0.020 nan 4.420 nan 0.000 0.225 355 P C 1.261 178.476 177.300 -0.141 0.000 1.148 355 P CA 0.685 63.796 63.100 0.018 0.000 0.779 355 P CB 0.015 31.821 31.700 0.178 0.000 0.780 356 L N -3.010 118.021 121.223 -0.320 0.000 2.376 356 L HA 0.013 4.353 4.340 0.000 0.000 0.219 356 L C 0.426 176.840 176.870 -0.760 0.000 1.133 356 L CA 0.610 55.050 54.840 -0.668 0.000 0.816 356 L CB -0.308 41.047 42.059 -1.174 0.000 0.933 356 L HN -0.070 nan 8.230 nan 0.000 0.449 357 F N -1.843 118.102 119.950 -0.010 0.000 2.577 357 F HA 0.287 4.814 4.527 0.000 0.000 0.318 357 F C 0.996 176.866 175.800 0.117 0.000 1.065 357 F CA -1.142 56.904 58.000 0.076 0.000 0.929 357 F CB 0.867 39.939 39.000 0.119 0.000 1.237 357 F HN -0.268 nan 8.300 nan 0.000 0.468 358 N N -0.361 118.544 118.700 0.342 0.000 2.446 358 N HA 0.005 4.745 4.740 0.000 0.000 0.179 358 N C -0.642 174.999 175.510 0.218 0.000 1.054 358 N CA 0.433 53.608 53.050 0.208 0.000 0.905 358 N CB 0.144 38.718 38.487 0.146 0.000 0.973 358 N HN 0.530 nan 8.380 nan 0.000 0.448 359 E N 0.309 120.704 120.200 0.325 0.000 2.221 359 E HA 0.340 4.691 4.350 0.000 0.000 0.268 359 E C -0.613 176.221 176.600 0.389 0.000 0.933 359 E CA -0.597 55.946 56.400 0.237 0.000 0.809 359 E CB 1.100 30.819 29.700 0.030 0.000 1.190 359 E HN -0.073 nan 8.360 nan 0.000 0.406 360 Q N 1.023 120.978 119.800 0.258 0.000 2.375 360 Q HA 0.453 4.793 4.340 0.000 0.000 0.271 360 Q C -0.542 175.590 176.000 0.221 0.000 1.074 360 Q CA -0.643 55.340 55.803 0.299 0.000 0.808 360 Q CB 2.000 30.866 28.738 0.214 0.000 1.327 360 Q HN 0.506 nan 8.270 nan 0.000 0.441 361 L N 0.903 122.290 121.223 0.273 0.000 2.452 361 L HA 0.205 4.545 4.340 0.000 0.000 0.267 361 L C 0.819 177.788 176.870 0.166 0.000 1.188 361 L CA -0.126 54.832 54.840 0.196 0.000 0.821 361 L CB 0.346 42.545 42.059 0.234 0.000 1.102 361 L HN 0.577 nan 8.230 nan 0.000 0.470 362 E N 2.602 122.894 120.200 0.154 0.000 2.130 362 E HA 0.232 4.582 4.350 0.000 0.000 0.284 362 E C -1.272 175.460 176.600 0.220 0.000 1.018 362 E CA -0.858 55.633 56.400 0.152 0.000 0.817 362 E CB 1.233 30.998 29.700 0.108 0.000 1.078 362 E HN 0.293 nan 8.360 nan 0.000 0.396 363 L N 6.146 127.472 121.223 0.170 0.000 2.255 363 L HA 0.384 4.724 4.340 0.000 0.000 0.289 363 L C -0.866 176.109 176.870 0.175 0.000 1.046 363 L CA -0.048 54.897 54.840 0.175 0.000 0.816 363 L CB 0.755 42.872 42.059 0.097 0.000 1.197 363 L HN 0.543 nan 8.230 nan 0.000 0.427 364 R N 4.085 124.752 120.500 0.279 0.000 2.538 364 R HA 0.277 4.617 4.340 0.000 0.000 0.292 364 R C -1.061 175.408 176.300 0.282 0.000 1.008 364 R CA -0.459 55.776 56.100 0.225 0.000 0.896 364 R CB 1.173 31.534 30.300 0.102 0.000 1.187 364 R HN 0.720 nan 8.270 nan 0.000 0.440 365 D N 3.438 123.946 120.400 0.179 0.000 2.740 365 D HA -0.190 4.450 4.640 0.000 0.000 0.231 365 D C 0.831 177.224 176.300 0.155 0.000 1.194 365 D CA 2.037 56.135 54.000 0.164 0.000 0.673 365 D CB -0.958 39.944 40.800 0.169 0.000 0.995 365 D HN 1.064 nan 8.370 nan 0.000 0.411 366 G N -0.467 108.419 108.800 0.144 0.000 2.184 366 G HA2 -0.385 3.575 3.960 0.000 0.000 0.264 366 G HA3 -0.385 3.575 3.960 0.000 0.000 0.264 366 G C 0.396 175.322 174.900 0.044 0.000 0.975 366 G CA 0.764 45.927 45.100 0.104 0.000 0.642 366 G HN 0.612 nan 8.290 nan 0.000 0.536 367 R N -1.310 119.227 120.500 0.061 0.000 2.807 367 R HA 0.746 5.086 4.340 0.000 0.000 0.276 367 R C -0.697 175.602 176.300 -0.002 0.000 0.979 367 R CA -1.160 54.898 56.100 -0.070 0.000 0.928 367 R CB 1.310 31.444 30.300 -0.276 0.000 1.191 367 R HN 0.124 nan 8.270 nan 0.000 0.471 368 M N 1.703 121.253 119.600 -0.082 0.000 2.180 368 M HA 0.308 4.788 4.480 0.000 0.000 0.350 368 M C -1.647 174.591 176.300 -0.102 0.000 1.125 368 M CA -0.632 54.686 55.300 0.029 0.000 1.031 368 M CB 0.720 33.345 32.600 0.042 0.000 1.623 368 M HN 0.426 nan 8.290 nan 0.000 0.451 369 W N 5.606 126.904 121.300 -0.003 0.000 2.376 369 W HA 0.526 5.186 4.660 -0.000 0.000 0.322 369 W C -0.448 176.049 176.519 -0.037 0.000 1.160 369 W CA -0.357 56.978 57.345 -0.016 0.000 1.218 369 W CB 0.421 29.876 29.460 -0.008 0.000 1.205 369 W HN 0.462 nan 8.180 nan 0.000 0.559 370 I N 3.790 124.434 120.570 0.124 0.000 2.396 370 I HA 0.046 4.216 4.170 0.000 0.000 0.289 370 I C 1.023 177.205 176.117 0.108 0.000 1.056 370 I CA -0.226 61.098 61.300 0.040 0.000 1.365 370 I CB 0.193 38.192 38.000 -0.001 0.000 1.407 370 I HN 0.430 nan 8.210 nan 0.000 0.509 371 S N 3.891 119.624 115.700 0.056 0.000 2.634 371 S HA 0.071 4.541 4.470 0.000 0.000 0.261 371 S C 0.859 175.497 174.600 0.063 0.000 1.271 371 S CA -0.500 57.727 58.200 0.046 0.000 0.985 371 S CB 1.040 64.227 63.200 -0.022 0.000 0.968 371 S HN 0.741 nan 8.310 nan 0.000 0.568 372 D N -0.681 119.749 120.400 0.050 0.000 2.349 372 D HA -0.032 4.608 4.640 0.000 0.000 0.224 372 D C 0.364 176.722 176.300 0.097 0.000 1.029 372 D CA -0.049 53.999 54.000 0.079 0.000 0.879 372 D CB -0.346 40.490 40.800 0.060 0.000 0.906 372 D HN 0.430 nan 8.370 nan 0.000 0.528 373 R N 0.423 120.941 120.500 0.029 0.000 2.679 373 R HA 0.168 4.508 4.340 0.000 0.000 0.268 373 R C 0.289 176.673 176.300 0.140 0.000 1.044 373 R CA -0.020 56.071 56.100 -0.015 0.000 1.105 373 R CB 0.364 30.601 30.300 -0.106 0.000 0.989 373 R HN 0.363 nan 8.270 nan 0.000 0.447 374 H N -0.044 119.022 119.070 -0.006 0.000 2.607 374 H HA 0.182 4.738 4.556 0.000 0.000 0.367 374 H C 1.314 176.627 175.328 -0.025 0.000 1.181 374 H CA -0.137 55.912 56.048 0.001 0.000 1.402 374 H CB 0.951 30.729 29.762 0.027 0.000 1.474 374 H HN 0.837 nan 8.280 nan 0.000 0.596 375 G N 0.677 109.518 108.800 0.068 0.000 2.596 375 G HA2 -0.352 3.608 3.960 0.000 0.000 0.295 375 G HA3 -0.352 3.608 3.960 0.000 0.000 0.295 375 G C 0.948 175.735 174.900 -0.189 0.000 1.240 375 G CA 0.500 45.577 45.100 -0.037 0.000 0.985 375 G HN 0.578 nan 8.290 nan 0.000 0.555 376 L N 1.799 122.956 121.223 -0.109 0.000 2.275 376 L HA 0.248 4.588 4.340 0.000 0.000 0.215 376 L C 2.516 179.448 176.870 0.104 0.000 1.119 376 L CA 1.322 56.142 54.840 -0.034 0.000 0.790 376 L CB -0.730 41.404 42.059 0.125 0.000 0.919 376 L HN 2.088 nan 8.230 nan 0.000 0.443 377 G N -0.561 108.221 108.800 -0.030 0.000 2.137 377 G HA2 -0.286 3.674 3.960 0.000 0.000 0.237 377 G HA3 -0.286 3.674 3.960 0.000 0.000 0.237 377 G C -0.123 174.455 174.900 -0.536 0.000 1.002 377 G CA -0.254 44.709 45.100 -0.229 0.000 0.702 377 G HN 0.199 nan 8.290 nan 0.000 0.515 378 F N 0.234 120.154 119.950 -0.049 0.000 2.588 378 F HA 0.746 5.273 4.527 0.000 0.000 0.314 378 F C 0.544 176.367 175.800 0.037 0.000 1.069 378 F CA -0.089 57.854 58.000 -0.096 0.000 0.931 378 F CB 2.379 41.076 39.000 -0.506 0.000 1.260 378 F HN 0.249 nan 8.300 nan 0.000 0.465 379 T N 0.116 114.873 114.554 0.337 0.000 2.887 379 T HA 0.702 5.052 4.350 0.000 0.000 0.288 379 T C -0.715 174.206 174.700 0.369 0.000 1.021 379 T CA -0.922 61.347 62.100 0.282 0.000 1.000 379 T CB 1.241 70.213 68.868 0.174 0.000 1.034 379 T HN 0.492 nan 8.240 nan 0.000 0.467 380 L N 3.118 124.515 121.223 0.289 0.000 2.416 380 L HA 0.389 4.729 4.340 0.000 0.000 0.272 380 L C 1.274 178.210 176.870 0.110 0.000 1.161 380 L CA -0.567 54.399 54.840 0.210 0.000 0.845 380 L CB 0.807 42.957 42.059 0.152 0.000 1.119 380 L HN 1.002 nan 8.230 nan 0.000 0.464 381 S N 1.023 116.739 115.700 0.026 0.000 2.693 381 S HA 0.134 4.604 4.470 0.000 0.000 0.276 381 S C 0.828 175.383 174.600 -0.075 0.000 1.192 381 S CA -0.628 57.557 58.200 -0.024 0.000 0.994 381 S CB 1.611 64.770 63.200 -0.069 0.000 1.012 381 S HN 0.753 nan 8.310 nan 0.000 0.550 382 E N 0.006 120.151 120.200 -0.091 0.000 2.077 382 E HA -0.264 4.086 4.350 0.000 0.000 0.193 382 E C 1.881 178.357 176.600 -0.207 0.000 0.989 382 E CA 1.366 57.698 56.400 -0.114 0.000 0.800 382 E CB -0.237 29.400 29.700 -0.104 0.000 0.746 382 E HN 0.711 nan 8.360 nan 0.000 0.452 383 Q N 0.575 120.184 119.800 -0.318 0.000 2.135 383 Q HA -0.133 4.207 4.340 0.000 0.000 0.204 383 Q C 1.884 177.549 176.000 -0.558 0.000 0.981 383 Q CA 2.001 57.434 55.803 -0.616 0.000 0.856 383 Q CB -0.529 27.718 28.738 -0.819 0.000 0.902 383 Q HN 0.379 nan 8.270 nan 0.000 0.425 384 A N 0.356 122.999 122.820 -0.295 0.000 1.908 384 A HA -0.224 4.096 4.320 0.000 0.000 0.218 384 A C 1.976 179.533 177.584 -0.045 0.000 1.181 384 A CA 1.661 53.630 52.037 -0.113 0.000 0.627 384 A CB -0.452 18.473 19.000 -0.123 0.000 0.818 384 A HN 0.257 nan 8.150 nan 0.000 0.445 385 R N -0.408 120.048 120.500 -0.074 0.000 2.090 385 R HA -0.006 4.334 4.340 0.000 0.000 0.228 385 R C 2.184 178.465 176.300 -0.032 0.000 1.110 385 R CA 1.339 57.422 56.100 -0.028 0.000 0.973 385 R CB -0.685 29.601 30.300 -0.025 0.000 0.869 385 R HN 0.591 nan 8.270 nan 0.000 0.440 386 R N -0.473 119.956 120.500 -0.118 0.000 2.096 386 R HA -0.101 4.239 4.340 0.000 0.000 0.235 386 R C 1.717 178.040 176.300 0.037 0.000 1.127 386 R CA 1.104 57.137 56.100 -0.112 0.000 0.968 386 R CB -0.093 30.043 30.300 -0.273 0.000 0.861 386 R HN 0.254 nan 8.270 nan 0.000 0.440 387 W N 0.953 122.234 121.300 -0.031 0.000 3.180 387 W HA 0.107 4.767 4.660 -0.000 0.000 0.254 387 W C 0.127 176.640 176.519 -0.010 0.000 1.318 387 W CA 0.066 57.400 57.345 -0.019 0.000 1.608 387 W CB -0.559 28.878 29.460 -0.040 0.000 1.124 387 W HN -0.139 nan 8.180 nan 0.000 0.694 388 T N 1.441 116.095 114.554 0.167 0.000 2.834 388 T HA 0.068 4.418 4.350 0.000 0.000 0.298 388 T C 1.187 175.928 174.700 0.069 0.000 0.966 388 T CA 0.366 62.511 62.100 0.075 0.000 1.141 388 T CB 1.493 70.383 68.868 0.037 0.000 0.905 388 T HN 0.133 nan 8.240 nan 0.000 0.535 389 Q N 1.898 121.724 119.800 0.043 0.000 2.402 389 Q HA 0.340 4.680 4.340 0.000 0.000 0.231 389 Q C -0.045 175.940 176.000 -0.025 0.000 0.888 389 Q CA 0.441 56.274 55.803 0.049 0.000 0.938 389 Q CB 0.573 29.398 28.738 0.144 0.000 1.086 389 Q HN 0.528 nan 8.270 nan 0.000 0.543 390 L N -0.352 120.789 121.223 -0.138 0.000 2.434 390 L HA 0.595 4.935 4.340 0.000 0.000 0.260 390 L C -0.699 176.071 176.870 -0.167 0.000 0.983 390 L CA -0.609 54.121 54.840 -0.185 0.000 0.820 390 L CB 2.634 44.467 42.059 -0.377 0.000 1.361 390 L HN -0.215 nan 8.230 nan 0.000 0.410 391 T N 0.719 115.299 114.554 0.043 0.000 2.853 391 T HA 0.731 5.081 4.350 0.000 0.000 0.311 391 T C -1.598 173.200 174.700 0.163 0.000 1.307 391 T CA -0.418 61.766 62.100 0.139 0.000 1.019 391 T CB 1.389 70.303 68.868 0.076 0.000 1.264 391 T HN 0.908 nan 8.240 nan 0.000 0.497 392 C N 1.690 121.058 119.300 0.114 0.000 3.239 392 C HA 0.937 5.397 4.460 0.000 0.000 0.317 392 C C -1.161 173.685 174.990 -0.240 0.000 1.310 392 C CA -0.829 58.139 59.018 -0.084 0.000 1.371 392 C CB 1.049 28.723 27.740 -0.110 0.000 1.714 392 C HN 1.000 nan 8.230 nan 0.000 0.473 393 E N -0.019 119.882 120.200 -0.498 0.000 2.393 393 E HA 0.786 5.136 4.350 0.000 0.000 0.273 393 E C -1.772 174.305 176.600 -0.872 0.000 0.918 393 E CA -0.352 55.741 56.400 -0.511 0.000 0.773 393 E CB 2.457 32.084 29.700 -0.123 0.000 1.275 393 E HN 0.616 nan 8.360 nan 0.000 0.451 394 F N 0.077 119.897 119.950 -0.218 0.000 2.588 394 F HA 0.609 5.137 4.527 0.001 0.000 0.310 394 F C 0.800 176.585 175.800 -0.025 0.000 1.082 394 F CA -0.026 57.911 58.000 -0.104 0.000 0.929 394 F CB 2.179 41.100 39.000 -0.131 0.000 1.254 394 F HN 0.725 nan 8.300 nan 0.000 0.455 395 G N 2.134 111.074 108.800 0.233 0.000 2.553 395 G HA2 -0.134 3.826 3.960 0.000 0.000 0.242 395 G HA3 -0.134 3.826 3.960 0.000 0.000 0.242 395 G C -1.145 173.943 174.900 0.315 0.000 1.277 395 G CA -0.265 44.981 45.100 0.244 0.000 0.910 395 G HN 0.867 nan 8.290 nan 0.000 0.576 396 K N 0.160 120.760 120.400 0.333 0.000 2.535 396 K HA 0.474 4.794 4.320 0.000 0.000 0.251 396 K C 0.189 176.844 176.600 0.093 0.000 0.942 396 K CA -0.818 55.603 56.287 0.223 0.000 0.798 396 K CB 1.136 33.699 32.500 0.104 0.000 1.267 396 K HN 0.673 nan 8.250 nan 0.000 0.434 397 R N 3.831 124.190 120.500 -0.234 0.000 2.486 397 R HA 0.035 4.375 4.340 0.000 0.000 0.303 397 R C -2.007 174.179 176.300 -0.190 0.000 0.958 397 R CA -0.975 54.838 56.100 -0.478 0.000 1.077 397 R CB -0.300 29.582 30.300 -0.695 0.000 0.921 397 R HN 0.429 nan 8.270 nan 0.000 0.406 398 P HA 0.000 nan 4.420 nan 0.000 0.216 398 P CA 0.000 63.066 63.100 -0.056 0.000 0.800 398 P CB 0.000 31.689 31.700 -0.018 0.000 0.726