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 3ln0_1_A DATA FIRST_RESID 18 DATA SEQUENCE ANPccSNPcQ NRGEcMSTGF DQYKcDcTRT GFYGENcTTP EFLTRIKLLL DATA SEQUENCE KPTPNTVHYI LTHFKGVWNI VNNIPFLRSL IMKYVLTSRS YLIDSPPTYN DATA SEQUENCE VHYGYKSWEA FSNLSYYTRA LPPVADDcPT PMGVKGNKEL PDSKEVLEKV DATA SEQUENCE LLRREFIPDP QGSNMMFAFF AQHFTHQFFK TDHKRGPGFT RGLGHGVDLN DATA SEQUENCE HIYGETLDRQ HKLRLFKDGK LKYQVIGGEV YPPTVKDTQV EMIYPPHIPE DATA SEQUENCE NLQFAVGQEV FGLVPGLMMY ATIWLREHNR VCDILKQEHP EWGDEQLFQT DATA SEQUENCE SRLILIGETI KIVIEDYVQH LSGYHFKLKF DPELLFNQQF QYQNRIASEF DATA SEQUENCE NTLYHWHPLL PDTFNIEDQE YSFKQFLYNN SILLEHGLTQ FVESFTRQIA DATA SEQUENCE GRVAGGRNVP IAVQAVAKAS IDQSREMKYQ SLNEYRKRFS LKPYTSFEEL DATA SEQUENCE TGEKEMAAEL KALYSDIDVM ELYPALLVEK PRPDAIFGET MVELGAPFSL DATA SEQUENCE KGLMGNPICS PQYWKPSTFG GEVGFKIINT ASIQSLIcNN VKGcPFTSFN DATA SEQUENCE VQ 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 18 A HA 0.000 nan 4.320 nan 0.000 0.244 18 A C 0.000 177.629 177.584 0.075 0.000 1.274 18 A CA 0.000 52.077 52.037 0.067 0.000 0.836 18 A CB 0.000 19.047 19.000 0.078 0.000 0.831 19 N N 2.435 121.169 118.700 0.057 0.000 2.365 19 N HA 0.081 4.829 4.740 0.014 0.000 0.265 19 N C -1.570 173.959 175.510 0.032 0.000 1.288 19 N CA -0.455 52.621 53.050 0.043 0.000 0.869 19 N CB 1.166 39.667 38.487 0.024 0.000 1.071 19 N HN 0.252 nan 8.380 nan 0.000 0.480 20 P HA -0.010 nan 4.420 nan 0.000 0.228 20 P C 0.609 177.872 177.300 -0.062 0.000 1.151 20 P CA 0.644 63.783 63.100 0.066 0.000 0.770 20 P CB 0.095 31.902 31.700 0.178 0.000 0.786 21 c N -1.601 116.951 118.600 -0.081 0.000 2.697 21 c HA 0.125 4.703 4.570 0.014 0.000 0.267 21 c C 2.683 176.686 174.090 -0.146 0.000 1.278 21 c CA -0.234 55.989 56.329 -0.177 0.000 1.708 21 c CB -2.191 40.254 42.510 -0.109 0.000 1.860 21 c HN 0.331 nan 8.230 nan 0.000 0.589 22 c N 1.561 120.108 118.600 -0.089 0.000 2.403 22 c HA -0.108 4.470 4.570 0.014 0.000 0.282 22 c C 2.824 176.867 174.090 -0.078 0.000 1.297 22 c CA 2.108 58.401 56.329 -0.061 0.000 1.785 22 c CB -1.302 41.193 42.510 -0.025 0.000 1.963 22 c HN 0.817 nan 8.230 nan 0.000 0.507 23 S N -0.084 115.548 115.700 -0.113 0.000 2.575 23 S HA 0.044 4.522 4.470 0.014 0.000 0.215 23 S C 0.331 174.849 174.600 -0.137 0.000 0.966 23 S CA 0.165 58.301 58.200 -0.106 0.000 0.911 23 S CB -0.517 62.623 63.200 -0.101 0.000 0.780 23 S HN 0.654 nan 8.310 nan 0.000 0.514 24 N N 1.323 119.921 118.700 -0.169 0.000 2.727 24 N HA -0.088 4.660 4.740 0.014 0.000 0.251 24 N C -2.231 173.165 175.510 -0.191 0.000 1.040 24 N CA 0.949 53.895 53.050 -0.173 0.000 0.712 24 N CB -1.770 36.633 38.487 -0.139 0.000 0.912 24 N HN 0.411 nan 8.380 nan 0.000 0.545 25 P HA -0.032 nan 4.420 nan 0.000 0.217 25 P C 0.360 177.572 177.300 -0.147 0.000 1.150 25 P CA 0.938 63.870 63.100 -0.280 0.000 0.832 25 P CB 0.246 31.516 31.700 -0.718 0.000 0.787 26 c N 1.711 120.228 118.600 -0.138 0.000 2.499 26 c HA 0.342 4.920 4.570 0.014 0.000 0.386 26 c C 0.610 174.639 174.090 -0.101 0.000 1.293 26 c CA -0.702 55.588 56.329 -0.065 0.000 1.884 26 c CB -0.461 42.032 42.510 -0.028 0.000 2.509 26 c HN 0.237 nan 8.230 nan 0.000 0.566 27 Q N 1.666 121.395 119.800 -0.118 0.000 2.195 27 Q HA 0.343 4.691 4.340 0.014 0.000 0.250 27 Q C 0.287 176.149 176.000 -0.231 0.000 0.988 27 Q CA -0.452 55.242 55.803 -0.182 0.000 0.911 27 Q CB 0.517 29.122 28.738 -0.221 0.000 1.258 27 Q HN 0.770 nan 8.270 nan 0.000 0.475 28 N N 1.171 119.705 118.700 -0.278 0.000 2.735 28 N HA -0.224 4.524 4.740 0.014 0.000 0.248 28 N C -0.580 174.851 175.510 -0.132 0.000 1.083 28 N CA 0.937 53.810 53.050 -0.295 0.000 0.703 28 N CB -0.389 37.686 38.487 -0.687 0.000 1.005 28 N HN 0.667 nan 8.380 nan 0.000 0.550 29 R N -4.220 116.215 120.500 -0.108 0.000 3.892 29 R HA -0.122 4.226 4.340 0.014 0.000 0.441 29 R C 0.881 177.170 176.300 -0.019 0.000 1.052 29 R CA 1.129 57.194 56.100 -0.059 0.000 1.190 29 R CB -2.243 28.035 30.300 -0.037 0.000 1.808 29 R HN 0.444 nan 8.270 nan 0.000 0.538 30 G N 1.318 110.102 108.800 -0.027 0.000 2.491 30 G HA2 0.228 4.197 3.960 0.014 0.000 0.238 30 G HA3 0.228 4.197 3.960 0.014 0.000 0.238 30 G C -0.021 174.887 174.900 0.013 0.000 1.277 30 G CA -0.219 44.887 45.100 0.010 0.000 0.851 30 G HN 0.203 nan 8.290 nan 0.000 0.573 31 E N 0.011 120.237 120.200 0.044 0.000 2.166 31 E HA 0.279 4.637 4.350 0.014 0.000 0.275 31 E C -0.699 175.935 176.600 0.057 0.000 0.941 31 E CA -0.636 55.797 56.400 0.055 0.000 0.784 31 E CB 1.986 31.743 29.700 0.095 0.000 1.115 31 E HN 0.380 nan 8.360 nan 0.000 0.399 32 c N 4.678 123.295 118.600 0.028 0.000 2.369 32 c HA 0.568 5.146 4.570 0.014 0.000 0.358 32 c C -0.200 173.925 174.090 0.060 0.000 1.274 32 c CA -0.321 56.031 56.329 0.038 0.000 1.935 32 c CB -0.515 41.957 42.510 -0.063 0.000 2.431 32 c HN 0.802 nan 8.230 nan 0.000 0.545 33 M N 5.701 125.358 119.600 0.096 0.000 2.386 33 M HA 0.414 4.903 4.480 0.014 0.000 0.293 33 M C -0.007 176.345 176.300 0.086 0.000 1.120 33 M CA -0.092 55.250 55.300 0.070 0.000 0.909 33 M CB 2.079 34.712 32.600 0.055 0.000 1.661 33 M HN 0.797 nan 8.290 nan 0.000 0.452 34 S N 2.264 117.990 115.700 0.045 0.000 2.564 34 S HA 0.360 4.838 4.470 0.014 0.000 0.278 34 S C 0.336 174.935 174.600 -0.002 0.000 1.333 34 S CA 0.093 58.316 58.200 0.038 0.000 1.048 34 S CB 0.538 63.731 63.200 -0.012 0.000 0.900 34 S HN 0.766 nan 8.310 nan 0.000 0.505 35 T N -1.138 113.415 114.554 -0.001 0.000 3.483 35 T HA 0.651 5.009 4.350 0.014 0.000 0.258 35 T C 0.442 175.114 174.700 -0.047 0.000 1.013 35 T CA -0.127 61.954 62.100 -0.032 0.000 1.078 35 T CB -0.580 68.273 68.868 -0.025 0.000 1.111 35 T HN 1.807 nan 8.240 nan 0.000 0.538 36 G N 0.374 109.117 108.800 -0.095 0.000 2.357 36 G HA2 0.141 4.110 3.960 0.014 0.000 0.643 36 G HA3 0.141 4.110 3.960 0.014 0.000 0.643 36 G C -0.259 174.584 174.900 -0.094 0.000 1.358 36 G CA -0.830 44.207 45.100 -0.106 0.000 0.986 36 G HN 0.087 nan 8.290 nan 0.000 0.620 37 F N -0.077 119.885 119.950 0.020 0.000 2.307 37 F HA 0.085 4.620 4.527 0.013 0.000 0.301 37 F C 1.946 177.766 175.800 0.034 0.000 1.076 37 F CA 1.905 59.919 58.000 0.023 0.000 1.383 37 F CB 0.334 39.344 39.000 0.018 0.000 1.055 37 F HN 0.362 nan 8.300 nan 0.000 0.526 38 D N -1.323 119.194 120.400 0.196 0.000 2.594 38 D HA 0.123 4.772 4.640 0.014 0.000 0.256 38 D C -0.222 176.150 176.300 0.121 0.000 1.393 38 D CA 0.179 54.267 54.000 0.147 0.000 0.797 38 D CB 0.437 41.314 40.800 0.127 0.000 1.110 38 D HN 0.237 nan 8.370 nan 0.000 0.495 39 Q N 0.221 120.080 119.800 0.097 0.000 2.387 39 Q HA 0.565 4.914 4.340 0.014 0.000 0.273 39 Q C -0.848 175.217 176.000 0.109 0.000 1.089 39 Q CA -0.911 54.926 55.803 0.057 0.000 0.824 39 Q CB 2.254 30.987 28.738 -0.010 0.000 1.367 39 Q HN 0.180 nan 8.270 nan 0.000 0.443 40 Y N -1.718 118.583 120.300 0.002 0.000 2.638 40 Y HA 0.859 5.417 4.550 0.014 0.000 0.339 40 Y C -1.340 174.560 175.900 -0.000 0.000 1.084 40 Y CA -1.344 56.754 58.100 -0.004 0.000 1.068 40 Y CB 1.721 40.179 38.460 -0.003 0.000 1.294 40 Y HN 0.575 nan 8.280 nan 0.000 0.480 41 K N 1.108 121.606 120.400 0.164 0.000 2.498 41 K HA 0.735 5.063 4.320 0.014 0.000 0.254 41 K C -2.177 174.547 176.600 0.207 0.000 0.933 41 K CA -0.362 55.968 56.287 0.071 0.000 0.806 41 K CB 1.890 34.396 32.500 0.011 0.000 1.301 41 K HN 0.947 nan 8.250 nan 0.000 0.432 42 c N 2.561 121.267 118.600 0.176 0.000 2.319 42 c HA 0.416 4.994 4.570 0.014 0.000 0.335 42 c C -0.766 173.383 174.090 0.097 0.000 1.274 42 c CA -0.619 55.800 56.329 0.151 0.000 1.806 42 c CB 0.577 43.181 42.510 0.157 0.000 2.329 42 c HN 0.810 nan 8.230 nan 0.000 0.524 43 D N 1.721 122.171 120.400 0.083 0.000 2.396 43 D HA 0.249 4.897 4.640 0.014 0.000 0.225 43 D C 0.241 176.585 176.300 0.074 0.000 1.121 43 D CA -0.325 53.718 54.000 0.071 0.000 0.853 43 D CB 0.719 41.557 40.800 0.063 0.000 1.043 43 D HN 0.635 nan 8.370 nan 0.000 0.500 44 c N 2.893 121.546 118.600 0.088 0.000 2.693 44 c HA 0.171 4.749 4.570 0.014 0.000 0.286 44 c C 0.780 174.934 174.090 0.106 0.000 1.277 44 c CA -0.363 56.031 56.329 0.108 0.000 1.705 44 c CB -1.528 41.073 42.510 0.152 0.000 1.879 44 c HN 0.554 nan 8.230 nan 0.000 0.607 45 T N 1.805 116.406 114.554 0.079 0.000 2.800 45 T HA -0.001 4.358 4.350 0.014 0.000 0.283 45 T C 0.980 175.720 174.700 0.066 0.000 0.999 45 T CA 0.737 62.875 62.100 0.064 0.000 1.176 45 T CB -0.078 68.817 68.868 0.045 0.000 0.973 45 T HN 0.627 nan 8.240 nan 0.000 0.519 46 R N 0.232 120.771 120.500 0.065 0.000 3.863 46 R HA -0.233 4.115 4.340 0.014 0.000 0.313 46 R C 1.726 178.077 176.300 0.085 0.000 1.202 46 R CA 1.211 57.347 56.100 0.060 0.000 0.852 46 R CB -2.191 28.134 30.300 0.040 0.000 1.292 46 R HN 0.942 nan 8.270 nan 0.000 0.519 47 T N -4.923 109.708 114.554 0.128 0.000 3.014 47 T HA 0.191 4.549 4.350 0.014 0.000 0.263 47 T C 1.543 176.412 174.700 0.282 0.000 1.078 47 T CA 1.034 63.251 62.100 0.194 0.000 1.135 47 T CB 0.619 69.614 68.868 0.211 0.000 0.895 47 T HN 0.687 nan 8.240 nan 0.000 0.480 48 G N 0.579 109.485 108.800 0.177 0.000 2.175 48 G HA2 -0.117 3.851 3.960 0.014 0.000 0.244 48 G HA3 -0.117 3.851 3.960 0.014 0.000 0.244 48 G C -0.139 174.631 174.900 -0.217 0.000 0.982 48 G CA -0.040 45.052 45.100 -0.013 0.000 0.641 48 G HN 0.553 nan 8.290 nan 0.000 0.527 49 F N -0.535 119.454 119.950 0.064 0.000 2.640 49 F HA 0.831 5.367 4.527 0.014 0.000 0.324 49 F C 0.300 176.175 175.800 0.126 0.000 1.077 49 F CA -1.164 56.849 58.000 0.021 0.000 0.965 49 F CB 1.271 40.237 39.000 -0.057 0.000 1.351 49 F HN 0.243 nan 8.300 nan 0.000 0.487 50 Y N -1.306 119.123 120.300 0.216 0.000 2.889 50 Y HA 0.937 5.496 4.550 0.015 0.000 0.317 50 Y C 0.040 176.011 175.900 0.118 0.000 1.414 50 Y CA -1.750 56.428 58.100 0.130 0.000 1.091 50 Y CB 1.026 39.532 38.460 0.076 0.000 1.358 50 Y HN 1.067 nan 8.280 nan 0.000 0.487 51 G N 0.078 109.035 108.800 0.261 0.000 2.612 51 G HA2 -0.189 3.779 3.960 0.014 0.000 0.686 51 G HA3 -0.189 3.779 3.960 0.014 0.000 0.686 51 G C 0.168 175.127 174.900 0.098 0.000 1.274 51 G CA -0.103 45.076 45.100 0.133 0.000 0.849 51 G HN 1.143 nan 8.290 nan 0.000 0.595 52 E N -0.331 119.909 120.200 0.067 0.000 2.130 52 E HA -0.174 4.184 4.350 0.014 0.000 0.196 52 E C 1.325 177.984 176.600 0.099 0.000 0.998 52 E CA 1.625 58.055 56.400 0.050 0.000 0.806 52 E CB -0.093 29.617 29.700 0.016 0.000 0.738 52 E HN 0.421 nan 8.360 nan 0.000 0.459 53 N N -0.928 117.823 118.700 0.085 0.000 2.291 53 N HA 0.090 4.838 4.740 0.014 0.000 0.244 53 N C -0.593 174.923 175.510 0.010 0.000 1.216 53 N CA 0.378 53.477 53.050 0.081 0.000 0.879 53 N CB 0.754 39.280 38.487 0.065 0.000 1.167 53 N HN 0.121 nan 8.380 nan 0.000 0.515 54 c N 0.863 119.481 118.600 0.030 0.000 4.365 54 c HA -0.123 4.455 4.570 0.014 0.000 0.299 54 c C 1.843 175.879 174.090 -0.091 0.000 1.409 54 c CA 1.252 57.594 56.329 0.022 0.000 2.007 54 c CB -3.119 39.397 42.510 0.009 0.000 1.264 54 c HN 0.607 nan 8.230 nan 0.000 0.777 55 T N -4.817 109.699 114.554 -0.064 0.000 3.023 55 T HA 0.177 4.535 4.350 0.014 0.000 0.253 55 T C 0.320 175.062 174.700 0.069 0.000 1.038 55 T CA 0.624 62.668 62.100 -0.093 0.000 0.962 55 T CB 0.169 68.989 68.868 -0.080 0.000 1.018 55 T HN 0.561 nan 8.240 nan 0.000 0.521 56 T N 5.779 120.316 114.554 -0.029 0.000 2.727 56 T HA 0.409 4.767 4.350 0.014 0.000 0.298 56 T C -2.701 171.815 174.700 -0.306 0.000 0.942 56 T CA -1.289 60.660 62.100 -0.252 0.000 0.997 56 T CB 1.270 69.739 68.868 -0.664 0.000 0.917 56 T HN 0.215 nan 8.240 nan 0.000 0.487 57 P HA 0.245 nan 4.420 nan 0.000 0.279 57 P C -0.220 176.927 177.300 -0.253 0.000 1.239 57 P CA -0.504 62.292 63.100 -0.507 0.000 0.789 57 P CB 1.054 32.513 31.700 -0.402 0.000 0.933 58 E N 1.115 121.187 120.200 -0.213 0.000 2.373 58 E HA 0.046 4.405 4.350 0.014 0.000 0.263 58 E C 0.799 177.404 176.600 0.010 0.000 1.073 58 E CA -0.402 56.036 56.400 0.063 0.000 0.894 58 E CB 0.216 29.950 29.700 0.056 0.000 1.008 58 E HN 0.364 nan 8.360 nan 0.000 0.420 59 F N 2.596 122.535 119.950 -0.018 0.000 2.032 59 F HA -0.298 4.238 4.527 0.014 0.000 0.297 59 F C 1.827 177.592 175.800 -0.059 0.000 1.125 59 F CA 1.930 59.911 58.000 -0.032 0.000 1.202 59 F CB -0.399 38.592 39.000 -0.016 0.000 0.958 59 F HN 0.488 nan 8.300 nan 0.000 0.491 60 L N 0.226 121.338 121.223 -0.186 0.000 2.187 60 L HA -0.142 4.206 4.340 0.014 0.000 0.213 60 L C 2.060 178.759 176.870 -0.285 0.000 1.100 60 L CA 2.474 57.135 54.840 -0.299 0.000 0.765 60 L CB -1.393 40.620 42.059 -0.076 0.000 0.904 60 L HN 0.284 nan 8.230 nan 0.000 0.437 61 T N -0.116 114.283 114.554 -0.258 0.000 2.821 61 T HA -0.125 4.233 4.350 0.014 0.000 0.267 61 T C 1.878 176.411 174.700 -0.277 0.000 1.046 61 T CA 1.617 63.536 62.100 -0.301 0.000 1.139 61 T CB -0.169 68.386 68.868 -0.522 0.000 0.871 61 T HN 0.473 nan 8.240 nan 0.000 0.454 62 R N 0.462 120.790 120.500 -0.287 0.000 2.075 62 R HA 0.009 4.357 4.340 0.014 0.000 0.232 62 R C 2.197 178.364 176.300 -0.223 0.000 1.126 62 R CA 1.015 56.984 56.100 -0.219 0.000 0.963 62 R CB -0.686 29.503 30.300 -0.185 0.000 0.858 62 R HN 0.299 nan 8.270 nan 0.000 0.435 63 I N 1.857 122.226 120.570 -0.335 0.000 2.076 63 I HA -0.293 3.885 4.170 0.014 0.000 0.237 63 I C 2.211 178.226 176.117 -0.170 0.000 1.059 63 I CA 1.693 62.827 61.300 -0.277 0.000 1.317 63 I CB -0.431 37.360 38.000 -0.348 0.000 1.037 63 I HN 0.026 nan 8.210 nan 0.000 0.398 64 K N 0.142 120.444 120.400 -0.164 0.000 2.127 64 K HA -0.193 4.135 4.320 0.014 0.000 0.208 64 K C 2.097 178.655 176.600 -0.069 0.000 1.047 64 K CA 1.454 57.678 56.287 -0.106 0.000 0.927 64 K CB -0.456 31.982 32.500 -0.104 0.000 0.716 64 K HN 0.302 nan 8.250 nan 0.000 0.450 65 L N 0.266 121.447 121.223 -0.070 0.000 2.083 65 L HA -0.202 4.147 4.340 0.014 0.000 0.209 65 L C 2.143 178.998 176.870 -0.026 0.000 1.083 65 L CA 0.668 55.493 54.840 -0.025 0.000 0.752 65 L CB -0.355 41.700 42.059 -0.007 0.000 0.899 65 L HN 0.129 nan 8.230 nan 0.000 0.433 66 L N -0.834 120.360 121.223 -0.049 0.000 2.056 66 L HA -0.170 4.178 4.340 0.014 0.000 0.207 66 L C 1.882 178.731 176.870 -0.035 0.000 1.078 66 L CA 1.459 56.275 54.840 -0.040 0.000 0.749 66 L CB -0.559 41.468 42.059 -0.053 0.000 0.901 66 L HN 0.163 nan 8.230 nan 0.000 0.433 67 L N -0.912 120.284 121.223 -0.044 0.000 2.612 67 L HA 0.100 4.448 4.340 0.014 0.000 0.230 67 L C 0.872 177.728 176.870 -0.024 0.000 1.140 67 L CA 0.430 55.246 54.840 -0.039 0.000 0.896 67 L CB -1.064 40.964 42.059 -0.051 0.000 1.065 67 L HN 0.088 nan 8.230 nan 0.000 0.447 68 K N 2.426 122.820 120.400 -0.010 0.000 2.264 68 K HA 0.334 4.662 4.320 0.014 0.000 0.277 68 K C -2.242 174.373 176.600 0.024 0.000 1.067 68 K CA -1.609 54.687 56.287 0.014 0.000 0.900 68 K CB 1.165 33.681 32.500 0.026 0.000 1.124 68 K HN -0.075 nan 8.250 nan 0.000 0.469 69 P HA 0.024 nan 4.420 nan 0.000 0.274 69 P C -0.337 177.000 177.300 0.061 0.000 1.231 69 P CA -0.329 62.795 63.100 0.041 0.000 0.790 69 P CB 0.786 32.513 31.700 0.046 0.000 0.951 70 T N -0.699 113.887 114.554 0.054 0.000 2.860 70 T HA 0.154 4.512 4.350 0.014 0.000 0.299 70 T C -1.740 173.015 174.700 0.091 0.000 1.045 70 T CA -1.214 60.922 62.100 0.061 0.000 1.071 70 T CB -0.079 68.815 68.868 0.044 0.000 0.985 70 T HN 0.165 nan 8.240 nan 0.000 0.537 71 P HA -0.067 nan 4.420 nan 0.000 0.218 71 P C 1.437 178.829 177.300 0.153 0.000 1.148 71 P CA 0.832 64.000 63.100 0.114 0.000 0.822 71 P CB 0.003 31.749 31.700 0.076 0.000 0.784 72 N N -1.450 117.330 118.700 0.133 0.000 2.244 72 N HA -0.075 4.673 4.740 0.014 0.000 0.183 72 N C 1.647 177.283 175.510 0.211 0.000 1.016 72 N CA 1.350 54.510 53.050 0.182 0.000 0.866 72 N CB -0.883 37.680 38.487 0.126 0.000 0.980 72 N HN 0.151 nan 8.380 nan 0.000 0.430 73 T N 1.259 115.901 114.554 0.147 0.000 2.701 73 T HA -0.042 4.316 4.350 0.014 0.000 0.263 73 T C 2.219 177.049 174.700 0.216 0.000 1.040 73 T CA 0.919 63.102 62.100 0.138 0.000 1.147 73 T CB -0.269 68.644 68.868 0.076 0.000 0.865 73 T HN -0.058 nan 8.240 nan 0.000 0.426 74 V N 1.336 121.367 119.914 0.195 0.000 2.332 74 V HA -0.244 3.884 4.120 0.014 0.000 0.248 74 V C 2.313 178.551 176.094 0.240 0.000 1.055 74 V CA 1.950 64.371 62.300 0.202 0.000 1.038 74 V CB -0.820 31.115 31.823 0.187 0.000 0.651 74 V HN 0.664 nan 8.190 nan 0.000 0.450 75 H N -1.355 117.817 119.070 0.171 0.000 2.352 75 H HA -0.271 4.293 4.556 0.013 0.000 0.299 75 H C 2.328 177.794 175.328 0.229 0.000 1.097 75 H CA 2.402 58.565 56.048 0.192 0.000 1.311 75 H CB -0.066 29.815 29.762 0.198 0.000 1.377 75 H HN 0.543 nan 8.280 nan 0.000 0.504 76 Y N 1.196 121.534 120.300 0.063 0.000 2.145 76 Y HA -0.203 4.356 4.550 0.015 0.000 0.286 76 Y C 2.512 178.495 175.900 0.138 0.000 1.145 76 Y CA 1.881 59.953 58.100 -0.046 0.000 1.148 76 Y CB -0.413 37.976 38.460 -0.118 0.000 0.981 76 Y HN 0.137 nan 8.280 nan 0.000 0.507 77 I N -0.604 120.208 120.570 0.404 0.000 2.394 77 I HA -0.272 3.906 4.170 0.014 0.000 0.251 77 I C 1.806 178.305 176.117 0.637 0.000 1.136 77 I CA 0.508 62.173 61.300 0.608 0.000 1.425 77 I CB -0.289 37.959 38.000 0.413 0.000 1.079 77 I HN 0.270 nan 8.210 nan 0.000 0.425 78 L N 0.341 121.709 121.223 0.241 0.000 2.240 78 L HA -0.061 4.287 4.340 0.014 0.000 0.211 78 L C 2.359 179.138 176.870 -0.151 0.000 1.106 78 L CA 1.972 56.720 54.840 -0.153 0.000 0.793 78 L CB -1.342 40.352 42.059 -0.609 0.000 0.927 78 L HN 0.399 nan 8.230 nan 0.000 0.446 79 T N -4.968 109.560 114.554 -0.044 0.000 3.092 79 T HA 0.197 4.556 4.350 0.014 0.000 0.258 79 T C 0.456 175.017 174.700 -0.231 0.000 1.031 79 T CA -0.219 61.716 62.100 -0.276 0.000 0.925 79 T CB 0.022 68.668 68.868 -0.370 0.000 1.036 79 T HN 0.171 nan 8.240 nan 0.000 0.544 80 H N -0.553 118.498 119.070 -0.032 0.000 2.949 80 H HA 0.599 5.163 4.556 0.014 0.000 0.310 80 H C -0.487 174.974 175.328 0.222 0.000 1.405 80 H CA -2.035 53.890 56.048 -0.205 0.000 1.253 80 H CB 0.359 29.444 29.762 -1.129 0.000 1.932 80 H HN 0.048 nan 8.280 nan 0.000 0.602 81 F N -0.838 119.265 119.950 0.256 0.000 3.039 81 F HA -0.261 4.274 4.527 0.013 0.000 0.287 81 F C 1.591 177.460 175.800 0.114 0.000 0.956 81 F CA 0.691 58.755 58.000 0.108 0.000 0.971 81 F CB -1.201 37.790 39.000 -0.015 0.000 0.943 81 F HN 0.528 nan 8.300 nan 0.000 0.766 82 K N 1.102 121.551 120.400 0.081 0.000 2.218 82 K HA -0.119 4.209 4.320 0.014 0.000 0.205 82 K C 2.189 178.805 176.600 0.027 0.000 1.046 82 K CA 1.661 57.864 56.287 -0.140 0.000 0.933 82 K CB -0.459 31.660 32.500 -0.635 0.000 0.728 82 K HN 0.589 nan 8.250 nan 0.000 0.454 83 G N -0.008 108.807 108.800 0.025 0.000 2.403 83 G HA2 -0.146 3.822 3.960 0.014 0.000 0.216 83 G HA3 -0.146 3.822 3.960 0.014 0.000 0.216 83 G C 1.408 176.317 174.900 0.016 0.000 1.154 83 G CA 0.674 45.785 45.100 0.019 0.000 0.784 83 G HN 0.185 nan 8.290 nan 0.000 0.538 84 V N -0.311 119.588 119.914 -0.026 0.000 2.307 84 V HA -0.151 3.977 4.120 0.014 0.000 0.245 84 V C 2.404 178.426 176.094 -0.120 0.000 1.045 84 V CA 1.561 63.768 62.300 -0.155 0.000 1.024 84 V CB -0.773 30.831 31.823 -0.365 0.000 0.651 84 V HN 0.578 nan 8.190 nan 0.000 0.449 85 W N 0.358 121.719 121.300 0.101 0.000 2.392 85 W HA -0.155 4.513 4.660 0.013 0.000 0.279 85 W C 2.431 179.016 176.519 0.110 0.000 1.225 85 W CA 1.313 58.745 57.345 0.145 0.000 1.233 85 W CB -0.476 29.119 29.460 0.225 0.000 1.122 85 W HN 0.271 nan 8.180 nan 0.000 0.561 86 N N 0.469 119.322 118.700 0.255 0.000 2.166 86 N HA -0.159 4.590 4.740 0.014 0.000 0.186 86 N C 1.507 177.087 175.510 0.117 0.000 1.019 86 N CA 1.609 54.751 53.050 0.154 0.000 0.856 86 N CB -0.234 38.303 38.487 0.083 0.000 0.993 86 N HN 0.044 nan 8.380 nan 0.000 0.426 87 I N -0.737 119.884 120.570 0.084 0.000 2.193 87 I HA -0.192 3.986 4.170 0.014 0.000 0.240 87 I C 1.918 178.078 176.117 0.071 0.000 1.084 87 I CA 0.565 61.895 61.300 0.050 0.000 1.365 87 I CB -0.281 37.721 38.000 0.003 0.000 1.064 87 I HN -0.009 nan 8.210 nan 0.000 0.410 88 V N 1.459 121.427 119.914 0.089 0.000 2.282 88 V HA -0.314 3.814 4.120 0.014 0.000 0.249 88 V C 2.051 178.271 176.094 0.210 0.000 1.057 88 V CA 2.026 64.405 62.300 0.132 0.000 1.032 88 V CB -0.936 31.015 31.823 0.214 0.000 0.645 88 V HN 0.467 nan 8.190 nan 0.000 0.447 89 N N 0.608 119.468 118.700 0.267 0.000 2.430 89 N HA -0.111 4.637 4.740 0.014 0.000 0.186 89 N C 1.336 176.911 175.510 0.109 0.000 1.032 89 N CA 0.960 54.122 53.050 0.188 0.000 0.893 89 N CB -0.382 38.193 38.487 0.147 0.000 0.957 89 N HN 0.550 nan 8.380 nan 0.000 0.442 90 N N 0.003 118.763 118.700 0.099 0.000 2.205 90 N HA 0.167 4.916 4.740 0.014 0.000 0.201 90 N C -0.297 175.256 175.510 0.072 0.000 1.128 90 N CA 0.024 53.118 53.050 0.073 0.000 0.867 90 N CB 1.252 39.777 38.487 0.063 0.000 0.996 90 N HN 0.206 nan 8.380 nan 0.000 0.503 91 I N 2.125 122.737 120.570 0.070 0.000 2.361 91 I HA 0.206 4.384 4.170 0.014 0.000 0.282 91 I C -1.551 174.603 176.117 0.063 0.000 1.075 91 I CA -1.922 59.418 61.300 0.067 0.000 1.205 91 I CB 1.767 39.778 38.000 0.018 0.000 1.406 91 I HN -0.300 nan 8.210 nan 0.000 0.481 92 P HA -0.281 nan 4.420 nan 0.000 0.218 92 P C 1.590 178.976 177.300 0.144 0.000 1.154 92 P CA 1.798 64.969 63.100 0.120 0.000 0.872 92 P CB 0.004 31.783 31.700 0.132 0.000 0.790 93 F N -1.448 118.546 119.950 0.074 0.000 2.325 93 F HA -0.000 4.535 4.527 0.014 0.000 0.299 93 F C 1.871 177.721 175.800 0.084 0.000 1.090 93 F CA 0.935 58.977 58.000 0.070 0.000 1.392 93 F CB -1.149 37.882 39.000 0.053 0.000 1.053 93 F HN -0.206 nan 8.300 nan 0.000 0.521 94 L N 0.360 121.128 121.223 -0.759 0.000 2.044 94 L HA -0.078 4.270 4.340 0.014 0.000 0.205 94 L C 2.934 179.724 176.870 -0.134 0.000 1.075 94 L CA 1.348 55.799 54.840 -0.648 0.000 0.747 94 L CB -0.534 41.239 42.059 -0.476 0.000 0.903 94 L HN 0.147 nan 8.230 nan 0.000 0.435 95 R N -0.440 120.095 120.500 0.059 0.000 2.103 95 R HA -0.190 4.158 4.340 0.014 0.000 0.242 95 R C 2.327 178.797 176.300 0.283 0.000 1.142 95 R CA 2.022 58.312 56.100 0.316 0.000 0.960 95 R CB -0.128 30.301 30.300 0.215 0.000 0.858 95 R HN 0.235 nan 8.270 nan 0.000 0.439 96 S N 0.909 116.697 115.700 0.146 0.000 2.382 96 S HA -0.129 4.349 4.470 0.014 0.000 0.228 96 S C 1.789 176.462 174.600 0.123 0.000 1.027 96 S CA 1.099 59.379 58.200 0.133 0.000 0.991 96 S CB -0.217 63.055 63.200 0.120 0.000 0.823 96 S HN 0.365 nan 8.310 nan 0.000 0.469 97 L N 1.244 122.511 121.223 0.073 0.000 2.046 97 L HA -0.102 4.247 4.340 0.014 0.000 0.208 97 L C 1.892 178.802 176.870 0.066 0.000 1.077 97 L CA 1.212 56.086 54.840 0.056 0.000 0.747 97 L CB -0.267 41.775 42.059 -0.028 0.000 0.896 97 L HN 0.274 nan 8.230 nan 0.000 0.432 98 I N -0.738 119.852 120.570 0.033 0.000 2.202 98 I HA -0.294 3.884 4.170 0.014 0.000 0.242 98 I C 2.516 178.694 176.117 0.101 0.000 1.091 98 I CA 1.383 62.649 61.300 -0.058 0.000 1.368 98 I CB -0.966 36.710 38.000 -0.539 0.000 1.058 98 I HN 0.402 nan 8.210 nan 0.000 0.410 99 M N 1.308 121.074 119.600 0.275 0.000 2.159 99 M HA -0.201 4.288 4.480 0.014 0.000 0.263 99 M C 2.224 178.617 176.300 0.154 0.000 1.063 99 M CA 1.747 57.236 55.300 0.315 0.000 1.110 99 M CB -0.543 32.253 32.600 0.327 0.000 1.374 99 M HN 0.091 nan 8.290 nan 0.000 0.411 100 K N -1.220 119.256 120.400 0.127 0.000 2.097 100 K HA -0.250 4.079 4.320 0.014 0.000 0.206 100 K C 2.125 178.781 176.600 0.094 0.000 1.049 100 K CA 1.812 58.145 56.287 0.077 0.000 0.933 100 K CB -0.568 31.980 32.500 0.080 0.000 0.717 100 K HN 0.530 nan 8.250 nan 0.000 0.442 101 Y N 1.037 121.349 120.300 0.020 0.000 2.242 101 Y HA -0.160 4.398 4.550 0.013 0.000 0.291 101 Y C 1.866 177.788 175.900 0.037 0.000 1.137 101 Y CA 1.377 59.487 58.100 0.017 0.000 1.181 101 Y CB -0.355 38.098 38.460 -0.013 0.000 0.989 101 Y HN -0.030 nan 8.280 nan 0.000 0.527 102 V N -0.684 119.058 119.914 -0.288 0.000 2.427 102 V HA -0.160 3.968 4.120 0.014 0.000 0.248 102 V C 2.018 178.014 176.094 -0.164 0.000 1.051 102 V CA 1.667 63.764 62.300 -0.340 0.000 1.048 102 V CB -0.815 30.987 31.823 -0.035 0.000 0.666 102 V HN 0.387 nan 8.190 nan 0.000 0.456 103 L N 1.997 123.179 121.223 -0.069 0.000 1.994 103 L HA -0.085 4.263 4.340 0.014 0.000 0.208 103 L C 3.037 179.887 176.870 -0.034 0.000 1.071 103 L CA 2.965 57.776 54.840 -0.048 0.000 0.745 103 L CB -1.526 40.486 42.059 -0.078 0.000 0.892 103 L HN 0.736 nan 8.230 nan 0.000 0.431 104 T N -3.779 110.757 114.554 -0.031 0.000 2.770 104 T HA -0.139 4.220 4.350 0.014 0.000 0.263 104 T C 2.058 176.811 174.700 0.087 0.000 1.039 104 T CA 1.300 63.428 62.100 0.047 0.000 1.142 104 T CB -0.861 68.044 68.868 0.062 0.000 0.868 104 T HN 0.383 nan 8.240 nan 0.000 0.435 105 S N 1.595 117.284 115.700 -0.019 0.000 2.400 105 S HA -0.102 4.377 4.470 0.014 0.000 0.232 105 S C 2.225 176.921 174.600 0.161 0.000 1.025 105 S CA 0.861 59.112 58.200 0.086 0.000 0.993 105 S CB -0.454 62.627 63.200 -0.199 0.000 0.808 105 S HN 0.362 nan 8.310 nan 0.000 0.478 106 R N 1.470 121.972 120.500 0.002 0.000 2.062 106 R HA 0.231 4.579 4.340 0.014 0.000 0.226 106 R C 2.668 178.927 176.300 -0.068 0.000 1.125 106 R CA 1.510 57.583 56.100 -0.044 0.000 0.966 106 R CB -0.876 29.407 30.300 -0.028 0.000 0.861 106 R HN 0.466 nan 8.270 nan 0.000 0.433 107 S N 0.058 115.783 115.700 0.041 0.000 2.447 107 S HA -0.158 4.320 4.470 0.014 0.000 0.233 107 S C 1.487 176.092 174.600 0.010 0.000 1.006 107 S CA 1.103 59.345 58.200 0.069 0.000 0.957 107 S CB -0.383 62.981 63.200 0.274 0.000 0.773 107 S HN 0.562 nan 8.310 nan 0.000 0.507 108 Y N 0.671 120.968 120.300 -0.005 0.000 2.639 108 Y HA 0.159 4.717 4.550 0.013 0.000 0.297 108 Y C 1.446 177.300 175.900 -0.076 0.000 1.151 108 Y CA 0.378 58.459 58.100 -0.032 0.000 1.335 108 Y CB -0.305 38.145 38.460 -0.017 0.000 0.994 108 Y HN 0.091 nan 8.280 nan 0.000 0.548 109 L N 0.886 121.676 121.223 -0.721 0.000 2.492 109 L HA 0.118 4.466 4.340 0.014 0.000 0.223 109 L C 0.253 176.856 176.870 -0.444 0.000 1.132 109 L CA 0.386 54.784 54.840 -0.737 0.000 0.850 109 L CB -0.498 41.164 42.059 -0.660 0.000 0.966 109 L HN 0.254 nan 8.230 nan 0.000 0.454 110 I N 0.290 120.705 120.570 -0.259 0.000 2.359 110 I HA 0.198 4.376 4.170 0.014 0.000 0.294 110 I C -0.145 175.907 176.117 -0.109 0.000 0.987 110 I CA -0.954 60.258 61.300 -0.147 0.000 1.225 110 I CB 1.310 39.266 38.000 -0.074 0.000 1.366 110 I HN -0.113 nan 8.210 nan 0.000 0.466 111 D N 4.204 124.554 120.400 -0.083 0.000 2.371 111 D HA 0.230 4.879 4.640 0.014 0.000 0.256 111 D C 0.046 176.295 176.300 -0.086 0.000 1.193 111 D CA 0.462 54.410 54.000 -0.086 0.000 0.881 111 D CB 1.046 41.788 40.800 -0.097 0.000 1.143 111 D HN 0.398 nan 8.370 nan 0.000 0.473 112 S N 2.434 118.074 115.700 -0.100 0.000 2.689 112 S HA 0.385 4.863 4.470 0.014 0.000 0.274 112 S C -2.724 171.812 174.600 -0.106 0.000 1.176 112 S CA -1.254 56.880 58.200 -0.111 0.000 1.014 112 S CB 0.824 63.926 63.200 -0.162 0.000 1.071 112 S HN 0.027 nan 8.310 nan 0.000 0.478 113 P HA 0.203 nan 4.420 nan 0.000 0.267 113 P C -2.506 174.764 177.300 -0.050 0.000 1.195 113 P CA -0.648 62.436 63.100 -0.027 0.000 0.773 113 P CB -0.174 31.513 31.700 -0.022 0.000 0.837 114 P HA 0.065 nan 4.420 nan 0.000 0.274 114 P C 0.058 177.278 177.300 -0.134 0.000 1.246 114 P CA -0.059 62.987 63.100 -0.090 0.000 0.795 114 P CB 0.812 32.442 31.700 -0.117 0.000 1.006 115 T N -2.024 112.388 114.554 -0.237 0.000 3.409 115 T HA 0.209 4.567 4.350 0.014 0.000 0.188 115 T C 0.624 175.080 174.700 -0.406 0.000 0.929 115 T CA 0.058 61.891 62.100 -0.446 0.000 1.184 115 T CB -0.870 67.504 68.868 -0.824 0.000 1.570 115 T HN 0.267 nan 8.240 nan 0.000 0.367 116 Y N 3.639 123.895 120.300 -0.073 0.000 2.298 116 Y HA 0.570 5.129 4.550 0.014 0.000 0.329 116 Y C 0.895 176.724 175.900 -0.119 0.000 1.293 116 Y CA -0.571 57.474 58.100 -0.092 0.000 1.388 116 Y CB 0.509 38.933 38.460 -0.061 0.000 1.309 116 Y HN 0.735 nan 8.280 nan 0.000 0.544 117 N N -2.425 116.294 118.700 0.033 0.000 3.316 117 N HA 0.123 4.871 4.740 0.014 0.000 0.300 117 N C -0.310 175.151 175.510 -0.081 0.000 1.567 117 N CA -0.720 52.274 53.050 -0.094 0.000 0.821 117 N CB 0.497 38.764 38.487 -0.366 0.000 1.748 117 N HN 0.412 nan 8.380 nan 0.000 0.603 118 V N -0.314 119.525 119.914 -0.124 0.000 2.594 118 V HA -0.155 3.973 4.120 0.014 0.000 0.253 118 V C 1.034 177.100 176.094 -0.046 0.000 1.069 118 V CA 1.914 64.161 62.300 -0.088 0.000 1.082 118 V CB -0.959 30.775 31.823 -0.149 0.000 0.680 118 V HN 0.699 nan 8.190 nan 0.000 0.469 119 H N -2.944 116.069 119.070 -0.094 0.000 2.648 119 H HA 0.245 4.809 4.556 0.014 0.000 0.265 119 H C -0.535 174.418 175.328 -0.625 0.000 0.961 119 H CA -0.069 55.817 56.048 -0.270 0.000 1.185 119 H CB 0.502 30.132 29.762 -0.220 0.000 1.449 119 H HN 0.470 nan 8.280 nan 0.000 0.523 120 Y N -0.188 120.033 120.300 -0.132 0.000 2.332 120 Y HA 0.304 4.863 4.550 0.014 0.000 0.326 120 Y C 0.849 176.620 175.900 -0.215 0.000 0.978 120 Y CA -0.819 57.081 58.100 -0.334 0.000 1.205 120 Y CB 1.887 40.077 38.460 -0.451 0.000 1.131 120 Y HN 0.068 nan 8.280 nan 0.000 0.462 121 G N 2.356 111.082 108.800 -0.123 0.000 3.141 121 G HA2 0.112 4.080 3.960 0.014 0.000 0.218 121 G HA3 0.112 4.080 3.960 0.014 0.000 0.218 121 G C -0.400 174.510 174.900 0.018 0.000 1.170 121 G CA 0.204 45.223 45.100 -0.135 0.000 0.769 121 G HN 0.574 nan 8.290 nan 0.000 0.546 122 Y N -2.098 118.365 120.300 0.272 0.000 2.576 122 Y HA 0.708 5.266 4.550 0.014 0.000 0.346 122 Y C -0.137 175.977 175.900 0.355 0.000 1.018 122 Y CA -2.206 56.100 58.100 0.343 0.000 1.050 122 Y CB 1.068 39.644 38.460 0.195 0.000 1.280 122 Y HN -0.242 nan 8.280 nan 0.000 0.474 123 K N 2.005 122.611 120.400 0.342 0.000 2.382 123 K HA 0.489 4.818 4.320 0.014 0.000 0.275 123 K C -0.425 176.252 176.600 0.129 0.000 1.009 123 K CA 0.159 56.488 56.287 0.070 0.000 0.970 123 K CB 0.658 33.151 32.500 -0.010 0.000 0.934 123 K HN 0.912 nan 8.250 nan 0.000 0.479 124 S N 0.888 116.553 115.700 -0.058 0.000 2.570 124 S HA 0.185 4.663 4.470 0.014 0.000 0.270 124 S C 0.032 174.601 174.600 -0.052 0.000 1.149 124 S CA -1.121 57.053 58.200 -0.044 0.000 0.837 124 S CB 0.650 63.671 63.200 -0.298 0.000 1.124 124 S HN 0.901 nan 8.310 nan 0.000 0.465 125 W N 1.218 122.473 121.300 -0.075 0.000 2.402 125 W HA -0.068 4.601 4.660 0.014 0.000 0.286 125 W C 1.544 178.045 176.519 -0.029 0.000 1.221 125 W CA 2.157 59.506 57.345 0.007 0.000 1.257 125 W CB -0.087 29.387 29.460 0.024 0.000 1.120 125 W HN 1.048 nan 8.180 nan 0.000 0.551 126 E N 0.913 121.053 120.200 -0.100 0.000 2.051 126 E HA -0.162 4.196 4.350 0.014 0.000 0.192 126 E C 2.216 178.595 176.600 -0.368 0.000 0.991 126 E CA 2.428 58.708 56.400 -0.200 0.000 0.799 126 E CB -0.691 28.852 29.700 -0.261 0.000 0.748 126 E HN 0.070 nan 8.360 nan 0.000 0.449 127 A N -0.224 122.245 122.820 -0.586 0.000 1.930 127 A HA -0.073 4.256 4.320 0.014 0.000 0.217 127 A C 2.171 179.528 177.584 -0.378 0.000 1.175 127 A CA 1.274 53.005 52.037 -0.509 0.000 0.627 127 A CB -0.896 17.822 19.000 -0.471 0.000 0.815 127 A HN 0.472 nan 8.150 nan 0.000 0.443 128 F N 2.055 121.704 119.950 -0.502 0.000 2.113 128 F HA -0.169 4.366 4.527 0.014 0.000 0.297 128 F C 2.585 178.047 175.800 -0.563 0.000 1.103 128 F CA 2.141 59.806 58.000 -0.559 0.000 1.248 128 F CB -0.334 38.217 39.000 -0.748 0.000 0.999 128 F HN 0.281 nan 8.300 nan 0.000 0.475 129 S N -0.829 114.358 115.700 -0.854 0.000 2.478 129 S HA -0.004 4.474 4.470 0.014 0.000 0.222 129 S C 0.943 175.299 174.600 -0.406 0.000 1.008 129 S CA 0.058 57.792 58.200 -0.778 0.000 0.928 129 S CB -0.719 62.201 63.200 -0.466 0.000 0.781 129 S HN 0.364 nan 8.310 nan 0.000 0.518 130 N N 2.032 120.596 118.700 -0.228 0.000 2.415 130 N HA 0.231 4.979 4.740 0.014 0.000 0.250 130 N C 0.434 175.959 175.510 0.024 0.000 1.127 130 N CA -0.127 52.929 53.050 0.010 0.000 0.945 130 N CB 0.358 39.011 38.487 0.277 0.000 1.196 130 N HN 0.391 nan 8.380 nan 0.000 0.499 131 L N 1.550 122.753 121.223 -0.033 0.000 2.551 131 L HA -0.010 4.338 4.340 0.014 0.000 0.228 131 L C 1.695 178.659 176.870 0.157 0.000 1.153 131 L CA 0.326 55.170 54.840 0.006 0.000 0.851 131 L CB -0.045 42.007 42.059 -0.011 0.000 0.959 131 L HN 0.390 nan 8.230 nan 0.000 0.451 132 S N -1.578 114.180 115.700 0.096 0.000 2.522 132 S HA 0.026 4.504 4.470 0.014 0.000 0.227 132 S C 0.341 174.944 174.600 0.006 0.000 0.986 132 S CA 0.217 58.440 58.200 0.039 0.000 0.929 132 S CB -0.112 63.107 63.200 0.033 0.000 0.769 132 S HN 0.226 nan 8.310 nan 0.000 0.529 133 Y N 0.479 120.753 120.300 -0.043 0.000 2.299 133 Y HA 0.339 4.897 4.550 0.014 0.000 0.326 133 Y C 0.132 175.948 175.900 -0.139 0.000 1.164 133 Y CA -1.081 56.862 58.100 -0.262 0.000 1.234 133 Y CB 0.334 38.632 38.460 -0.270 0.000 1.219 133 Y HN 0.053 nan 8.280 nan 0.000 0.497 134 Y N 0.907 121.246 120.300 0.065 0.000 2.411 134 Y HA 0.077 4.636 4.550 0.015 0.000 0.333 134 Y C 1.035 176.959 175.900 0.041 0.000 1.186 134 Y CA 0.055 58.208 58.100 0.087 0.000 1.381 134 Y CB 0.536 39.006 38.460 0.017 0.000 1.273 134 Y HN 0.549 nan 8.280 nan 0.000 0.546 135 T N 3.134 117.804 114.554 0.194 0.000 2.770 135 T HA 0.437 4.796 4.350 0.014 0.000 0.281 135 T C -0.363 174.389 174.700 0.087 0.000 0.981 135 T CA -0.705 61.435 62.100 0.067 0.000 0.955 135 T CB 0.351 69.222 68.868 0.006 0.000 1.060 135 T HN 0.431 nan 8.240 nan 0.000 0.531 136 R N 0.965 121.520 120.500 0.091 0.000 2.502 136 R HA 0.529 4.878 4.340 0.014 0.000 0.300 136 R C 0.679 177.101 176.300 0.203 0.000 0.984 136 R CA -0.432 55.740 56.100 0.120 0.000 0.882 136 R CB 1.364 31.724 30.300 0.099 0.000 1.180 136 R HN 0.724 nan 8.270 nan 0.000 0.444 137 A N 3.851 126.838 122.820 0.279 0.000 1.969 137 A HA 0.060 4.389 4.320 0.014 0.000 0.218 137 A C 0.712 178.424 177.584 0.214 0.000 1.169 137 A CA 1.076 53.322 52.037 0.348 0.000 0.635 137 A CB 0.165 19.571 19.000 0.677 0.000 0.810 137 A HN 0.486 nan 8.150 nan 0.000 0.445 138 L N 0.342 121.652 121.223 0.145 0.000 2.386 138 L HA 0.372 4.721 4.340 0.014 0.000 0.271 138 L C -2.493 174.301 176.870 -0.126 0.000 0.993 138 L CA -2.592 52.188 54.840 -0.100 0.000 0.819 138 L CB 2.591 44.365 42.059 -0.475 0.000 1.294 138 L HN 0.010 nan 8.230 nan 0.000 0.414 139 P HA 0.132 nan 4.420 nan 0.000 0.270 139 P C -2.686 174.491 177.300 -0.205 0.000 1.223 139 P CA -1.174 61.684 63.100 -0.404 0.000 0.785 139 P CB -0.365 30.842 31.700 -0.823 0.000 0.923 140 P HA 0.020 nan 4.420 nan 0.000 0.272 140 P C -0.261 177.012 177.300 -0.045 0.000 1.230 140 P CA 0.009 63.092 63.100 -0.029 0.000 0.788 140 P CB 0.327 32.035 31.700 0.014 0.000 0.949 141 V N 1.859 121.774 119.914 0.002 0.000 2.521 141 V HA 0.171 4.300 4.120 0.014 0.000 0.286 141 V C 1.208 177.309 176.094 0.010 0.000 1.034 141 V CA -0.158 62.141 62.300 -0.002 0.000 1.045 141 V CB -0.097 31.743 31.823 0.027 0.000 0.974 141 V HN 0.741 nan 8.190 nan 0.000 0.480 142 A N 3.901 126.721 122.820 0.000 0.000 2.520 142 A HA 0.094 4.422 4.320 0.014 0.000 0.235 142 A C 1.184 178.784 177.584 0.027 0.000 1.065 142 A CA -0.207 51.840 52.037 0.016 0.000 0.764 142 A CB -0.030 18.981 19.000 0.018 0.000 1.002 142 A HN 0.892 nan 8.150 nan 0.000 0.502 143 D N 0.409 120.828 120.400 0.033 0.000 2.218 143 D HA -0.118 4.530 4.640 0.014 0.000 0.204 143 D C 0.838 177.158 176.300 0.034 0.000 0.976 143 D CA 1.760 55.781 54.000 0.036 0.000 0.853 143 D CB 0.042 40.862 40.800 0.034 0.000 0.939 143 D HN 0.762 nan 8.370 nan 0.000 0.481 144 D N -0.435 119.985 120.400 0.034 0.000 2.388 144 D HA -0.019 4.630 4.640 0.014 0.000 0.221 144 D C -0.008 176.312 176.300 0.033 0.000 1.133 144 D CA -0.404 53.618 54.000 0.035 0.000 0.831 144 D CB -0.892 39.934 40.800 0.043 0.000 0.962 144 D HN -0.041 nan 8.370 nan 0.000 0.502 145 c N 2.272 120.889 118.600 0.028 0.000 2.652 145 c HA 0.202 4.781 4.570 0.014 0.000 0.412 145 c C -0.290 173.816 174.090 0.026 0.000 1.294 145 c CA -0.961 55.382 56.329 0.023 0.000 2.127 145 c CB 1.343 43.863 42.510 0.016 0.000 2.691 145 c HN 0.297 nan 8.230 nan 0.000 0.615 146 P HA -0.027 nan 4.420 nan 0.000 0.221 146 P C 0.410 177.727 177.300 0.027 0.000 1.150 146 P CA 1.424 64.539 63.100 0.025 0.000 0.800 146 P CB -0.034 31.680 31.700 0.024 0.000 0.787 147 T N -5.939 108.633 114.554 0.030 0.000 2.916 147 T HA 0.466 4.825 4.350 0.014 0.000 0.292 147 T C -2.415 172.311 174.700 0.044 0.000 1.064 147 T CA -2.196 59.926 62.100 0.037 0.000 1.011 147 T CB 1.964 70.857 68.868 0.041 0.000 1.152 147 T HN -0.344 nan 8.240 nan 0.000 0.510 148 P HA -0.036 nan 4.420 nan 0.000 0.216 148 P C 1.298 178.643 177.300 0.074 0.000 1.150 148 P CA 1.161 64.300 63.100 0.066 0.000 0.843 148 P CB 0.006 31.751 31.700 0.076 0.000 0.787 149 M N -2.663 116.981 119.600 0.074 0.000 2.495 149 M HA 0.291 4.779 4.480 0.014 0.000 0.237 149 M C 1.352 177.672 176.300 0.034 0.000 1.131 149 M CA 0.621 55.963 55.300 0.070 0.000 1.032 149 M CB -0.533 32.117 32.600 0.084 0.000 1.513 149 M HN 0.104 nan 8.290 nan 0.000 0.488 150 G N 0.318 109.134 108.800 0.027 0.000 1.929 150 G HA2 -0.213 3.756 3.960 0.014 0.000 0.219 150 G HA3 -0.213 3.756 3.960 0.014 0.000 0.219 150 G C 0.357 175.261 174.900 0.008 0.000 2.200 150 G CA 0.337 45.440 45.100 0.005 0.000 1.552 150 G HN 0.351 nan 8.290 nan 0.000 0.498 151 V N -1.318 118.600 119.914 0.006 0.000 3.539 151 V HA 0.534 4.663 4.120 0.014 0.000 0.262 151 V C 0.787 176.894 176.094 0.022 0.000 1.381 151 V CA 1.183 63.490 62.300 0.011 0.000 1.060 151 V CB 0.171 31.995 31.823 0.002 0.000 0.842 151 V HN 0.413 nan 8.190 nan 0.000 0.445 152 K N 1.510 121.926 120.400 0.026 0.000 2.126 152 K HA 0.607 4.935 4.320 0.014 0.000 0.257 152 K C 0.698 177.332 176.600 0.057 0.000 1.007 152 K CA 0.626 56.937 56.287 0.040 0.000 0.928 152 K CB 0.908 33.431 32.500 0.040 0.000 1.013 152 K HN 0.726 nan 8.250 nan 0.000 0.473 153 G N 1.170 110.010 108.800 0.067 0.000 2.681 153 G HA2 -0.222 3.746 3.960 0.014 0.000 0.220 153 G HA3 -0.222 3.746 3.960 0.014 0.000 0.220 153 G C -0.810 174.126 174.900 0.059 0.000 1.353 153 G CA -0.800 44.349 45.100 0.082 0.000 0.872 153 G HN 0.614 nan 8.290 nan 0.000 0.557 154 N N 0.238 118.970 118.700 0.054 0.000 2.458 154 N HA 0.347 5.096 4.740 0.014 0.000 0.271 154 N C 1.378 176.906 175.510 0.031 0.000 1.210 154 N CA -0.537 52.533 53.050 0.034 0.000 0.978 154 N CB 0.835 39.333 38.487 0.019 0.000 1.206 154 N HN 0.504 nan 8.380 nan 0.000 0.536 155 K N 0.715 121.128 120.400 0.022 0.000 2.281 155 K HA -0.055 4.274 4.320 0.014 0.000 0.203 155 K C -0.188 176.425 176.600 0.021 0.000 1.046 155 K CA 1.303 57.603 56.287 0.021 0.000 0.938 155 K CB -0.001 32.509 32.500 0.016 0.000 0.737 155 K HN 0.594 nan 8.250 nan 0.000 0.458 156 E N 0.138 120.346 120.200 0.014 0.000 2.292 156 E HA 0.224 4.582 4.350 0.014 0.000 0.272 156 E C -1.069 175.530 176.600 -0.002 0.000 0.881 156 E CA -0.777 55.628 56.400 0.008 0.000 0.754 156 E CB 1.718 31.416 29.700 -0.003 0.000 1.201 156 E HN -0.220 nan 8.360 nan 0.000 0.425 157 L N 3.250 124.475 121.223 0.004 0.000 2.473 157 L HA 0.232 4.580 4.340 0.014 0.000 0.268 157 L C -1.829 174.980 176.870 -0.102 0.000 1.215 157 L CA -1.674 53.153 54.840 -0.021 0.000 0.823 157 L CB -0.762 41.320 42.059 0.038 0.000 1.099 157 L HN 0.467 nan 8.230 nan 0.000 0.483 158 P HA -0.032 nan 4.420 nan 0.000 0.268 158 P C -0.481 176.725 177.300 -0.156 0.000 1.208 158 P CA -0.420 62.520 63.100 -0.266 0.000 0.777 158 P CB 0.318 31.697 31.700 -0.535 0.000 0.875 159 D N 1.210 121.543 120.400 -0.112 0.000 2.581 159 D HA -0.072 4.577 4.640 0.014 0.000 0.238 159 D C 1.220 177.489 176.300 -0.052 0.000 1.145 159 D CA 0.500 54.460 54.000 -0.066 0.000 0.866 159 D CB 0.697 41.464 40.800 -0.054 0.000 1.151 159 D HN 0.314 nan 8.370 nan 0.000 0.500 160 S N 4.060 119.746 115.700 -0.024 0.000 2.402 160 S HA -0.211 4.268 4.470 0.014 0.000 0.229 160 S C 1.786 176.393 174.600 0.012 0.000 1.021 160 S CA 0.881 59.084 58.200 0.006 0.000 0.974 160 S CB -0.061 63.147 63.200 0.014 0.000 0.800 160 S HN 0.644 nan 8.310 nan 0.000 0.484 161 K N 1.186 121.585 120.400 -0.002 0.000 2.103 161 K HA -0.166 4.162 4.320 0.014 0.000 0.207 161 K C 2.130 178.729 176.600 -0.002 0.000 1.048 161 K CA 1.657 57.945 56.287 0.000 0.000 0.930 161 K CB -0.193 32.303 32.500 -0.006 0.000 0.716 161 K HN 0.354 nan 8.250 nan 0.000 0.444 162 E N 0.080 120.270 120.200 -0.015 0.000 2.072 162 E HA -0.109 4.249 4.350 0.014 0.000 0.191 162 E C 1.820 178.414 176.600 -0.010 0.000 0.985 162 E CA 1.060 57.446 56.400 -0.023 0.000 0.801 162 E CB 0.078 29.749 29.700 -0.048 0.000 0.750 162 E HN 0.119 nan 8.360 nan 0.000 0.452 163 V N 1.049 120.965 119.914 0.002 0.000 2.307 163 V HA -0.239 3.889 4.120 0.014 0.000 0.245 163 V C 2.401 178.525 176.094 0.051 0.000 1.045 163 V CA 1.632 63.960 62.300 0.047 0.000 1.024 163 V CB -0.586 31.299 31.823 0.103 0.000 0.651 163 V HN 0.372 nan 8.190 nan 0.000 0.449 164 L N 0.036 121.290 121.223 0.052 0.000 1.978 164 L HA -0.298 4.051 4.340 0.014 0.000 0.218 164 L C 2.675 179.564 176.870 0.032 0.000 1.075 164 L CA 2.412 57.284 54.840 0.053 0.000 0.767 164 L CB -0.411 41.676 42.059 0.047 0.000 0.890 164 L HN 0.447 nan 8.230 nan 0.000 0.434 165 E N -0.645 119.566 120.200 0.018 0.000 2.106 165 E HA -0.213 4.145 4.350 0.014 0.000 0.192 165 E C 2.172 178.775 176.600 0.005 0.000 0.984 165 E CA 1.068 57.474 56.400 0.009 0.000 0.806 165 E CB 0.100 29.801 29.700 0.002 0.000 0.750 165 E HN 0.516 nan 8.360 nan 0.000 0.458 166 K N 0.248 120.650 120.400 0.003 0.000 2.116 166 K HA -0.049 4.279 4.320 0.014 0.000 0.203 166 K C 2.027 178.626 176.600 -0.001 0.000 1.052 166 K CA 1.431 57.716 56.287 -0.003 0.000 0.952 166 K CB 0.458 32.952 32.500 -0.011 0.000 0.729 166 K HN 0.134 nan 8.250 nan 0.000 0.446 167 V N -2.954 116.964 119.914 0.008 0.000 3.451 167 V HA 0.174 4.302 4.120 0.014 0.000 0.288 167 V C 1.283 177.376 176.094 -0.001 0.000 1.502 167 V CA -0.042 62.259 62.300 0.002 0.000 1.026 167 V CB -0.071 31.756 31.823 0.006 0.000 0.840 167 V HN 0.053 nan 8.190 nan 0.000 0.437 168 L N 0.017 121.247 121.223 0.011 0.000 2.362 168 L HA 0.407 4.755 4.340 0.014 0.000 0.204 168 L C 0.926 177.811 176.870 0.026 0.000 1.060 168 L CA 0.275 55.125 54.840 0.016 0.000 0.827 168 L CB 0.172 42.254 42.059 0.039 0.000 1.027 168 L HN 0.198 nan 8.230 nan 0.000 0.474 169 L N 1.625 122.863 121.223 0.025 0.000 2.416 169 L HA 0.103 4.451 4.340 0.014 0.000 0.272 169 L C 0.755 177.638 176.870 0.021 0.000 1.161 169 L CA 0.023 54.878 54.840 0.025 0.000 0.845 169 L CB 0.441 42.510 42.059 0.017 0.000 1.119 169 L HN 0.214 nan 8.230 nan 0.000 0.464 170 R N 3.296 123.815 120.500 0.032 0.000 2.442 170 R HA 0.112 4.460 4.340 0.014 0.000 0.291 170 R C 0.596 176.914 176.300 0.031 0.000 1.069 170 R CA -0.395 55.727 56.100 0.036 0.000 1.022 170 R CB 0.723 31.066 30.300 0.071 0.000 0.976 170 R HN 0.625 nan 8.270 nan 0.000 0.443 171 R N 3.125 123.639 120.500 0.023 0.000 2.039 171 R HA 0.082 4.430 4.340 0.014 0.000 0.218 171 R C 0.244 176.566 176.300 0.038 0.000 1.220 171 R CA 0.679 56.792 56.100 0.022 0.000 0.993 171 R CB -0.504 29.802 30.300 0.010 0.000 0.881 171 R HN 0.645 nan 8.270 nan 0.000 0.450 172 E N 0.716 120.938 120.200 0.035 0.000 2.179 172 E HA 0.182 4.540 4.350 0.014 0.000 0.275 172 E C -1.262 175.388 176.600 0.085 0.000 0.945 172 E CA -0.739 55.698 56.400 0.061 0.000 0.792 172 E CB 1.132 30.853 29.700 0.035 0.000 1.125 172 E HN 0.010 nan 8.360 nan 0.000 0.397 173 F N 5.102 125.043 119.950 -0.015 0.000 2.602 173 F HA 0.107 4.643 4.527 0.015 0.000 0.385 173 F C -0.505 175.280 175.800 -0.025 0.000 1.063 173 F CA 0.229 58.218 58.000 -0.019 0.000 1.233 173 F CB 0.275 39.260 39.000 -0.026 0.000 1.067 173 F HN 0.356 nan 8.300 nan 0.000 0.564 174 I N 9.366 129.528 120.570 -0.680 0.000 2.330 174 I HA 0.260 4.439 4.170 0.014 0.000 0.286 174 I C -2.056 173.500 176.117 -0.935 0.000 1.025 174 I CA -2.188 58.754 61.300 -0.597 0.000 1.197 174 I CB 0.946 38.753 38.000 -0.322 0.000 1.358 174 I HN 0.437 nan 8.210 nan 0.000 0.467 175 P HA 0.036 nan 4.420 nan 0.000 0.274 175 P C -0.774 176.334 177.300 -0.319 0.000 1.231 175 P CA -0.274 62.503 63.100 -0.538 0.000 0.790 175 P CB 0.822 32.430 31.700 -0.153 0.000 0.951 176 D N 2.766 123.029 120.400 -0.227 0.000 2.371 176 D HA 0.050 4.698 4.640 0.014 0.000 0.256 176 D C -1.190 175.006 176.300 -0.173 0.000 1.193 176 D CA -2.003 51.868 54.000 -0.216 0.000 0.881 176 D CB 0.357 41.026 40.800 -0.219 0.000 1.143 176 D HN 0.155 nan 8.370 nan 0.000 0.473 177 P HA -0.157 nan 4.420 nan 0.000 0.222 177 P C 0.768 177.981 177.300 -0.145 0.000 1.147 177 P CA 0.997 64.011 63.100 -0.142 0.000 0.790 177 P CB 0.262 31.878 31.700 -0.140 0.000 0.780 178 Q N -0.961 118.718 119.800 -0.203 0.000 2.482 178 Q HA 0.148 4.496 4.340 0.014 0.000 0.209 178 Q C 1.176 177.126 176.000 -0.083 0.000 0.961 178 Q CA 0.557 56.232 55.803 -0.213 0.000 0.945 178 Q CB -0.405 28.087 28.738 -0.410 0.000 1.012 178 Q HN 0.277 nan 8.270 nan 0.000 0.515 179 G N 1.018 109.776 108.800 -0.070 0.000 2.153 179 G HA2 -0.277 3.691 3.960 0.014 0.000 0.252 179 G HA3 -0.277 3.691 3.960 0.014 0.000 0.252 179 G C 0.051 174.947 174.900 -0.006 0.000 0.994 179 G CA 0.279 45.371 45.100 -0.012 0.000 0.698 179 G HN 0.305 nan 8.290 nan 0.000 0.521 180 S N 0.981 116.653 115.700 -0.046 0.000 2.573 180 S HA 0.330 4.809 4.470 0.014 0.000 0.297 180 S C 0.875 175.468 174.600 -0.012 0.000 1.280 180 S CA 0.715 58.829 58.200 -0.143 0.000 1.061 180 S CB 0.553 63.562 63.200 -0.318 0.000 0.812 180 S HN 1.014 nan 8.310 nan 0.000 0.500 181 N N 1.754 120.496 118.700 0.069 0.000 2.813 181 N HA 0.391 5.139 4.740 0.014 0.000 0.320 181 N C 0.488 176.119 175.510 0.201 0.000 1.315 181 N CA -0.892 52.245 53.050 0.144 0.000 0.871 181 N CB -0.052 38.531 38.487 0.159 0.000 1.241 181 N HN 0.266 nan 8.380 nan 0.000 0.602 182 M N -0.448 119.245 119.600 0.156 0.000 2.419 182 M HA 0.153 4.641 4.480 0.014 0.000 0.264 182 M C 1.409 177.819 176.300 0.183 0.000 1.082 182 M CA 0.827 56.125 55.300 -0.003 0.000 1.119 182 M CB -1.011 31.467 32.600 -0.204 0.000 1.398 182 M HN 0.507 nan 8.290 nan 0.000 0.453 183 M N -0.917 118.920 119.600 0.395 0.000 2.117 183 M HA -0.178 4.311 4.480 0.014 0.000 0.262 183 M C 2.247 178.998 176.300 0.752 0.000 1.065 183 M CA 1.516 57.172 55.300 0.594 0.000 1.114 183 M CB -1.369 31.522 32.600 0.485 0.000 1.361 183 M HN 0.223 nan 8.290 nan 0.000 0.408 184 F N 1.102 121.330 119.950 0.463 0.000 2.084 184 F HA -0.092 4.443 4.527 0.014 0.000 0.296 184 F C 2.346 178.276 175.800 0.217 0.000 1.111 184 F CA 1.724 59.843 58.000 0.198 0.000 1.224 184 F CB -0.487 38.491 39.000 -0.036 0.000 0.991 184 F HN 0.111 nan 8.300 nan 0.000 0.471 185 A N 0.259 123.170 122.820 0.152 0.000 1.892 185 A HA -0.221 4.108 4.320 0.014 0.000 0.218 185 A C 2.042 179.554 177.584 -0.121 0.000 1.188 185 A CA 2.070 54.072 52.037 -0.058 0.000 0.631 185 A CB -1.578 17.299 19.000 -0.206 0.000 0.822 185 A HN 0.453 nan 8.150 nan 0.000 0.447 186 F N -1.976 118.074 119.950 0.166 0.000 2.456 186 F HA 0.072 4.607 4.527 0.015 0.000 0.298 186 F C 1.848 177.732 175.800 0.139 0.000 1.104 186 F CA 0.276 58.388 58.000 0.186 0.000 1.435 186 F CB -0.686 38.469 39.000 0.259 0.000 1.078 186 F HN 0.337 nan 8.300 nan 0.000 0.546 187 F N 0.608 120.628 119.950 0.117 0.000 2.146 187 F HA -0.101 4.434 4.527 0.014 0.000 0.298 187 F C 2.330 178.023 175.800 -0.180 0.000 1.096 187 F CA 1.283 59.087 58.000 -0.327 0.000 1.275 187 F CB -0.396 38.505 39.000 -0.167 0.000 1.008 187 F HN -0.079 nan 8.300 nan 0.000 0.480 188 A N -0.223 122.634 122.820 0.061 0.000 1.873 188 A HA -0.245 4.083 4.320 0.014 0.000 0.215 188 A C 2.211 179.767 177.584 -0.048 0.000 1.186 188 A CA 1.747 53.853 52.037 0.115 0.000 0.616 188 A CB -1.043 18.073 19.000 0.192 0.000 0.823 188 A HN 0.564 nan 8.150 nan 0.000 0.442 189 Q N -1.267 118.488 119.800 -0.076 0.000 2.050 189 Q HA -0.254 4.094 4.340 0.014 0.000 0.202 189 Q C 2.176 177.937 176.000 -0.398 0.000 0.980 189 Q CA 1.783 57.424 55.803 -0.271 0.000 0.840 189 Q CB -0.354 28.267 28.738 -0.196 0.000 0.898 189 Q HN 0.883 nan 8.270 nan 0.000 0.424 190 H N -0.537 118.294 119.070 -0.399 0.000 2.293 190 H HA -0.171 4.393 4.556 0.014 0.000 0.300 190 H C 2.021 177.166 175.328 -0.304 0.000 1.082 190 H CA 1.824 57.603 56.048 -0.448 0.000 1.308 190 H CB -0.388 29.104 29.762 -0.449 0.000 1.375 190 H HN 0.354 nan 8.280 nan 0.000 0.495 191 F N 2.123 121.705 119.950 -0.614 0.000 2.069 191 F HA -0.222 4.313 4.527 0.014 0.000 0.298 191 F C 2.806 178.028 175.800 -0.963 0.000 1.113 191 F CA 2.622 60.155 58.000 -0.778 0.000 1.214 191 F CB -0.939 37.539 39.000 -0.870 0.000 0.978 191 F HN 0.263 nan 8.300 nan 0.000 0.474 192 T N -2.915 110.958 114.554 -1.134 0.000 2.995 192 T HA -0.170 4.188 4.350 0.014 0.000 0.269 192 T C 1.405 175.192 174.700 -1.521 0.000 1.091 192 T CA 1.500 62.516 62.100 -1.808 0.000 1.128 192 T CB -0.898 67.232 68.868 -1.231 0.000 0.891 192 T HN 0.396 nan 8.240 nan 0.000 0.492 193 H N 1.620 120.139 119.070 -0.917 0.000 2.553 193 H HA 0.176 4.740 4.556 0.014 0.000 0.269 193 H C 2.308 177.282 175.328 -0.591 0.000 1.011 193 H CA 0.668 56.410 56.048 -0.511 0.000 1.150 193 H CB -0.215 29.515 29.762 -0.053 0.000 1.339 193 H HN 0.767 nan 8.280 nan 0.000 0.604 194 Q N -0.215 119.031 119.800 -0.924 0.000 2.302 194 Q HA -0.041 4.307 4.340 0.014 0.000 0.202 194 Q C 0.841 176.463 176.000 -0.631 0.000 0.936 194 Q CA 0.936 56.245 55.803 -0.823 0.000 0.886 194 Q CB -0.077 27.952 28.738 -1.182 0.000 0.986 194 Q HN 0.571 nan 8.270 nan 0.000 0.487 195 F N -2.690 116.853 119.950 -0.678 0.000 2.746 195 F HA 0.485 5.020 4.527 0.014 0.000 0.313 195 F C -0.214 175.350 175.800 -0.392 0.000 1.095 195 F CA -1.142 56.522 58.000 -0.561 0.000 1.224 195 F CB 0.503 39.147 39.000 -0.594 0.000 1.060 195 F HN -0.232 nan 8.300 nan 0.000 0.584 196 F N 3.779 123.489 119.950 -0.400 0.000 2.335 196 F HA 0.501 5.036 4.527 0.014 0.000 0.365 196 F C -0.070 175.519 175.800 -0.351 0.000 1.122 196 F CA -1.640 56.174 58.000 -0.310 0.000 1.151 196 F CB 0.717 39.384 39.000 -0.555 0.000 1.282 196 F HN -0.013 nan 8.300 nan 0.000 0.513 197 K N 2.145 122.552 120.400 0.012 0.000 2.950 197 K HA 0.182 4.510 4.320 0.014 0.000 0.199 197 K C -0.523 176.013 176.600 -0.107 0.000 1.144 197 K CA -0.323 55.900 56.287 -0.107 0.000 0.983 197 K CB 1.213 33.609 32.500 -0.173 0.000 1.187 197 K HN 0.337 nan 8.250 nan 0.000 0.595 198 T N 1.395 115.890 114.554 -0.100 0.000 2.916 198 T HA -0.036 4.322 4.350 0.014 0.000 0.303 198 T C 0.124 174.566 174.700 -0.430 0.000 1.025 198 T CA 0.334 62.312 62.100 -0.202 0.000 1.142 198 T CB 0.428 69.140 68.868 -0.260 0.000 0.947 198 T HN 0.252 nan 8.240 nan 0.000 0.544 199 D N 1.648 121.883 120.400 -0.276 0.000 2.483 199 D HA 0.036 4.685 4.640 0.014 0.000 0.220 199 D C 1.169 177.358 176.300 -0.184 0.000 1.173 199 D CA -0.311 53.561 54.000 -0.213 0.000 0.964 199 D CB 0.067 40.779 40.800 -0.147 0.000 1.046 199 D HN 0.532 nan 8.370 nan 0.000 0.517 200 H N 2.363 121.431 119.070 -0.004 0.000 2.543 200 H HA -0.045 4.519 4.556 0.014 0.000 0.286 200 H C 1.366 176.677 175.328 -0.028 0.000 1.037 200 H CA 0.708 56.757 56.048 0.001 0.000 1.250 200 H CB 0.549 30.312 29.762 0.002 0.000 1.373 200 H HN 0.465 nan 8.280 nan 0.000 0.580 201 K N 0.718 121.130 120.400 0.020 0.000 2.155 201 K HA -0.029 4.300 4.320 0.014 0.000 0.203 201 K C 2.021 178.557 176.600 -0.108 0.000 1.052 201 K CA 0.615 56.880 56.287 -0.037 0.000 0.948 201 K CB 0.264 32.724 32.500 -0.065 0.000 0.728 201 K HN 0.292 nan 8.250 nan 0.000 0.448 202 R N 0.140 120.529 120.500 -0.184 0.000 2.123 202 R HA 0.109 4.457 4.340 0.014 0.000 0.209 202 R C 0.790 176.992 176.300 -0.162 0.000 1.078 202 R CA 0.653 56.513 56.100 -0.400 0.000 1.028 202 R CB 0.639 30.378 30.300 -0.935 0.000 0.939 202 R HN 0.241 nan 8.270 nan 0.000 0.463 203 G N -0.275 108.565 108.800 0.067 0.000 2.359 203 G HA2 -0.069 3.899 3.960 0.014 0.000 0.314 203 G HA3 -0.069 3.899 3.960 0.014 0.000 0.314 203 G C -2.580 172.470 174.900 0.250 0.000 1.364 203 G CA -0.929 44.299 45.100 0.214 0.000 0.978 203 G HN -0.211 nan 8.290 nan 0.000 0.615 204 P HA 0.034 nan 4.420 nan 0.000 0.225 204 P C 1.556 178.950 177.300 0.156 0.000 1.148 204 P CA 1.656 64.830 63.100 0.124 0.000 0.779 204 P CB 0.053 31.783 31.700 0.051 0.000 0.780 205 G N -1.905 106.966 108.800 0.118 0.000 3.141 205 G HA2 0.154 4.122 3.960 0.014 0.000 0.218 205 G HA3 0.154 4.122 3.960 0.014 0.000 0.218 205 G C -0.083 174.667 174.900 -0.250 0.000 1.170 205 G CA -0.104 44.991 45.100 -0.008 0.000 0.769 205 G HN 0.143 nan 8.290 nan 0.000 0.546 206 F N -0.649 119.292 119.950 -0.015 0.000 2.522 206 F HA 0.639 5.174 4.527 0.014 0.000 0.324 206 F C 0.329 175.845 175.800 -0.473 0.000 1.077 206 F CA -0.799 57.037 58.000 -0.272 0.000 0.944 206 F CB 2.561 41.389 39.000 -0.287 0.000 1.175 206 F HN -0.172 nan 8.300 nan 0.000 0.468 207 T N 0.802 115.069 114.554 -0.478 0.000 2.907 207 T HA 0.432 4.790 4.350 0.014 0.000 0.292 207 T C 0.565 175.063 174.700 -0.337 0.000 1.043 207 T CA -0.577 61.147 62.100 -0.626 0.000 1.003 207 T CB 1.285 69.484 68.868 -1.115 0.000 1.084 207 T HN 0.713 nan 8.240 nan 0.000 0.483 208 R N 1.659 121.991 120.500 -0.280 0.000 2.312 208 R HA 0.249 4.597 4.340 0.014 0.000 0.205 208 R C 1.234 177.403 176.300 -0.220 0.000 0.904 208 R CA -0.008 55.966 56.100 -0.209 0.000 1.052 208 R CB 0.452 30.651 30.300 -0.168 0.000 1.014 208 R HN 0.586 nan 8.270 nan 0.000 0.503 209 G N 1.014 109.642 108.800 -0.287 0.000 2.807 209 G HA2 0.208 4.177 3.960 0.014 0.000 0.316 209 G HA3 0.208 4.177 3.960 0.014 0.000 0.316 209 G C 0.564 175.249 174.900 -0.358 0.000 0.900 209 G CA -0.411 44.521 45.100 -0.279 0.000 1.499 209 G HN 0.134 nan 8.290 nan 0.000 0.484 210 L N 2.005 123.102 121.223 -0.211 0.000 2.478 210 L HA 0.078 4.427 4.340 0.014 0.000 0.223 210 L C 2.614 179.494 176.870 0.017 0.000 1.140 210 L CA 0.645 55.423 54.840 -0.103 0.000 0.842 210 L CB 0.242 42.273 42.059 -0.046 0.000 0.953 210 L HN 0.553 nan 8.230 nan 0.000 0.452 211 G N -2.224 106.549 108.800 -0.046 0.000 2.650 211 G HA2 -0.153 3.816 3.960 0.014 0.000 0.214 211 G HA3 -0.153 3.816 3.960 0.014 0.000 0.214 211 G C 0.610 175.546 174.900 0.060 0.000 1.136 211 G CA -0.167 44.938 45.100 0.009 0.000 0.789 211 G HN 0.552 nan 8.290 nan 0.000 0.536 212 H N -0.396 118.632 119.070 -0.069 0.000 2.655 212 H HA -0.178 4.386 4.556 0.014 0.000 0.313 212 H C 1.186 176.441 175.328 -0.122 0.000 1.141 212 H CA 1.120 57.124 56.048 -0.074 0.000 1.138 212 H CB -1.313 28.402 29.762 -0.077 0.000 1.446 212 H HN 0.749 nan 8.280 nan 0.000 0.415 213 G N -1.672 107.088 108.800 -0.067 0.000 2.399 213 G HA2 0.209 4.177 3.960 0.014 0.000 0.256 213 G HA3 0.209 4.177 3.960 0.014 0.000 0.256 213 G C -0.813 174.067 174.900 -0.035 0.000 1.236 213 G CA -0.242 44.763 45.100 -0.159 0.000 0.914 213 G HN 0.146 nan 8.290 nan 0.000 0.482 214 V N 2.502 122.404 119.914 -0.020 0.000 2.223 214 V HA 0.288 4.416 4.120 0.014 0.000 0.249 214 V C 0.344 176.458 176.094 0.034 0.000 1.233 214 V CA 0.824 63.140 62.300 0.027 0.000 1.131 214 V CB 0.195 32.089 31.823 0.117 0.000 1.298 214 V HN 0.753 nan 8.190 nan 0.000 0.498 215 D N 2.771 123.177 120.400 0.009 0.000 2.433 215 D HA 0.064 4.713 4.640 0.014 0.000 0.211 215 D C 0.958 177.326 176.300 0.114 0.000 1.114 215 D CA -0.354 53.676 54.000 0.051 0.000 0.837 215 D CB 0.101 40.918 40.800 0.029 0.000 0.984 215 D HN 0.326 nan 8.370 nan 0.000 0.505 216 L N 0.692 121.976 121.223 0.102 0.000 4.001 216 L HA -0.351 3.997 4.340 0.014 0.000 0.413 216 L C 0.932 177.973 176.870 0.284 0.000 1.185 216 L CA 0.715 55.707 54.840 0.252 0.000 0.963 216 L CB -2.534 39.684 42.059 0.265 0.000 1.976 216 L HN 0.297 nan 8.230 nan 0.000 0.939 217 N N 0.238 119.029 118.700 0.150 0.000 2.348 217 N HA -0.215 4.533 4.740 0.014 0.000 0.185 217 N C 1.726 177.244 175.510 0.014 0.000 1.019 217 N CA 1.781 54.878 53.050 0.078 0.000 0.880 217 N CB -0.236 38.238 38.487 -0.021 0.000 0.965 217 N HN 0.738 nan 8.380 nan 0.000 0.437 218 H N -0.901 118.015 119.070 -0.256 0.000 2.555 218 H HA 0.153 4.717 4.556 0.014 0.000 0.269 218 H C 1.369 176.541 175.328 -0.260 0.000 0.988 218 H CA 0.547 56.369 56.048 -0.377 0.000 1.178 218 H CB -0.260 29.238 29.762 -0.440 0.000 1.373 218 H HN 0.432 nan 8.280 nan 0.000 0.588 219 I N -1.009 119.301 120.570 -0.434 0.000 3.300 219 I HA -0.040 4.138 4.170 0.014 0.000 0.279 219 I C 1.188 177.046 176.117 -0.432 0.000 1.172 219 I CA 0.146 61.120 61.300 -0.544 0.000 1.431 219 I CB 0.141 37.604 38.000 -0.894 0.000 1.240 219 I HN -0.028 nan 8.210 nan 0.000 0.453 220 Y N 1.322 121.604 120.300 -0.030 0.000 2.478 220 Y HA 0.463 5.022 4.550 0.014 0.000 0.261 220 Y C 1.160 177.072 175.900 0.020 0.000 1.127 220 Y CA 0.080 58.204 58.100 0.041 0.000 1.288 220 Y CB 0.054 38.585 38.460 0.117 0.000 1.084 220 Y HN 0.127 nan 8.280 nan 0.000 0.530 221 G N 0.526 109.378 108.800 0.087 0.000 2.712 221 G HA2 -0.183 3.785 3.960 0.014 0.000 0.686 221 G HA3 -0.183 3.785 3.960 0.014 0.000 0.686 221 G C 0.252 175.163 174.900 0.018 0.000 1.181 221 G CA -0.398 44.715 45.100 0.021 0.000 0.762 221 G HN 0.015 nan 8.290 nan 0.000 0.641 222 E N -0.443 119.736 120.200 -0.035 0.000 2.077 222 E HA -0.018 4.341 4.350 0.014 0.000 0.193 222 E C 1.966 178.546 176.600 -0.032 0.000 0.989 222 E CA 1.999 58.373 56.400 -0.045 0.000 0.800 222 E CB -0.130 29.525 29.700 -0.075 0.000 0.746 222 E HN 1.066 nan 8.360 nan 0.000 0.452 223 T N -2.516 112.015 114.554 -0.038 0.000 2.940 223 T HA 0.334 4.693 4.350 0.014 0.000 0.288 223 T C 1.306 175.962 174.700 -0.075 0.000 1.033 223 T CA -0.774 61.295 62.100 -0.052 0.000 1.033 223 T CB 1.466 70.300 68.868 -0.057 0.000 1.079 223 T HN -0.050 nan 8.240 nan 0.000 0.496 224 L N 0.282 121.431 121.223 -0.124 0.000 2.046 224 L HA -0.099 4.249 4.340 0.014 0.000 0.208 224 L C 2.294 178.959 176.870 -0.342 0.000 1.077 224 L CA 1.848 56.528 54.840 -0.268 0.000 0.747 224 L CB -0.426 41.457 42.059 -0.293 0.000 0.896 224 L HN 0.862 nan 8.230 nan 0.000 0.432 225 D N -0.372 119.918 120.400 -0.183 0.000 2.097 225 D HA -0.254 4.394 4.640 0.014 0.000 0.195 225 D C 2.184 178.469 176.300 -0.024 0.000 0.989 225 D CA 1.228 55.175 54.000 -0.090 0.000 0.827 225 D CB 0.118 40.889 40.800 -0.049 0.000 0.966 225 D HN 0.268 nan 8.370 nan 0.000 0.456 226 R N 0.731 121.213 120.500 -0.030 0.000 2.081 226 R HA -0.133 4.215 4.340 0.014 0.000 0.235 226 R C 2.392 178.706 176.300 0.023 0.000 1.131 226 R CA 1.319 57.418 56.100 -0.001 0.000 0.960 226 R CB -0.152 30.138 30.300 -0.016 0.000 0.856 226 R HN 0.183 nan 8.270 nan 0.000 0.436 227 Q N -0.251 119.555 119.800 0.009 0.000 2.061 227 Q HA -0.240 4.108 4.340 0.014 0.000 0.204 227 Q C 1.692 177.736 176.000 0.073 0.000 0.984 227 Q CA 1.976 57.806 55.803 0.046 0.000 0.846 227 Q CB -0.168 28.589 28.738 0.032 0.000 0.902 227 Q HN 0.669 nan 8.270 nan 0.000 0.421 228 H N -0.489 118.566 119.070 -0.026 0.000 2.389 228 H HA -0.057 4.507 4.556 0.014 0.000 0.299 228 H C 2.021 177.413 175.328 0.106 0.000 1.081 228 H CA 0.993 57.083 56.048 0.069 0.000 1.345 228 H CB 0.287 30.181 29.762 0.219 0.000 1.393 228 H HN 0.204 nan 8.280 nan 0.000 0.520 229 K N 0.570 121.080 120.400 0.184 0.000 2.209 229 K HA -0.080 4.249 4.320 0.014 0.000 0.204 229 K C 1.813 178.456 176.600 0.071 0.000 1.048 229 K CA 0.698 57.057 56.287 0.120 0.000 0.940 229 K CB 0.160 32.707 32.500 0.079 0.000 0.729 229 K HN 0.249 nan 8.250 nan 0.000 0.451 230 L N 0.231 121.477 121.223 0.038 0.000 2.446 230 L HA 0.015 4.363 4.340 0.014 0.000 0.219 230 L C 0.674 177.522 176.870 -0.037 0.000 1.116 230 L CA 0.208 55.058 54.840 0.016 0.000 0.844 230 L CB 0.060 42.137 42.059 0.030 0.000 0.970 230 L HN 0.026 nan 8.230 nan 0.000 0.457 231 R N -0.217 120.186 120.500 -0.161 0.000 2.457 231 R HA 0.156 4.504 4.340 0.014 0.000 0.284 231 R C 0.674 176.801 176.300 -0.287 0.000 1.024 231 R CA -0.496 55.371 56.100 -0.388 0.000 1.025 231 R CB 1.548 31.245 30.300 -1.006 0.000 1.063 231 R HN -0.093 nan 8.270 nan 0.000 0.493 232 L N 2.352 123.469 121.223 -0.178 0.000 2.270 232 L HA 0.151 4.499 4.340 0.014 0.000 0.210 232 L C 0.189 177.124 176.870 0.108 0.000 1.104 232 L CA 1.198 56.041 54.840 0.005 0.000 0.804 232 L CB -0.146 41.957 42.059 0.075 0.000 0.937 232 L HN 0.821 nan 8.230 nan 0.000 0.450 233 F N -0.658 119.286 119.950 -0.010 0.000 3.018 233 F HA -0.300 4.235 4.527 0.014 0.000 0.287 233 F C 0.297 176.105 175.800 0.013 0.000 0.813 233 F CA 0.738 58.716 58.000 -0.037 0.000 1.209 233 F CB -1.656 37.292 39.000 -0.087 0.000 1.321 233 F HN 0.128 nan 8.300 nan 0.000 0.477 234 K N 0.239 120.735 120.400 0.159 0.000 2.443 234 K HA 0.342 4.670 4.320 0.014 0.000 0.252 234 K C 0.124 176.813 176.600 0.148 0.000 0.933 234 K CA -0.807 55.566 56.287 0.144 0.000 0.792 234 K CB 1.836 34.411 32.500 0.124 0.000 1.185 234 K HN -0.029 nan 8.250 nan 0.000 0.425 235 D N 1.112 121.602 120.400 0.151 0.000 3.039 235 D HA -0.200 4.448 4.640 0.014 0.000 0.222 235 D C 0.789 177.204 176.300 0.192 0.000 1.179 235 D CA 1.944 56.041 54.000 0.161 0.000 0.880 235 D CB -0.905 39.979 40.800 0.141 0.000 1.115 235 D HN 1.130 nan 8.370 nan 0.000 0.416 236 G N -0.393 108.534 108.800 0.211 0.000 2.157 236 G HA2 -0.354 3.614 3.960 0.014 0.000 0.248 236 G HA3 -0.354 3.614 3.960 0.014 0.000 0.248 236 G C 0.329 175.510 174.900 0.468 0.000 0.979 236 G CA 0.743 46.029 45.100 0.311 0.000 0.650 236 G HN 0.472 nan 8.290 nan 0.000 0.529 237 K N -0.603 119.994 120.400 0.328 0.000 2.107 237 K HA 0.642 4.970 4.320 0.014 0.000 0.251 237 K C 0.046 176.816 176.600 0.284 0.000 1.012 237 K CA -0.877 55.642 56.287 0.387 0.000 0.920 237 K CB 0.766 33.439 32.500 0.288 0.000 1.033 237 K HN 0.009 nan 8.250 nan 0.000 0.478 238 L N 2.191 123.585 121.223 0.285 0.000 2.325 238 L HA 0.241 4.589 4.340 0.014 0.000 0.279 238 L C 0.088 177.082 176.870 0.207 0.000 1.054 238 L CA -0.092 54.837 54.840 0.147 0.000 0.804 238 L CB 1.064 43.169 42.059 0.077 0.000 1.200 238 L HN 0.453 nan 8.230 nan 0.000 0.436 239 K N 2.997 123.466 120.400 0.116 0.000 2.440 239 K HA 0.237 4.565 4.320 0.014 0.000 0.270 239 K C -1.104 175.611 176.600 0.191 0.000 0.980 239 K CA 0.621 56.964 56.287 0.093 0.000 0.953 239 K CB 0.336 32.851 32.500 0.024 0.000 0.925 239 K HN 0.579 nan 8.250 nan 0.000 0.497 240 Y N -2.222 118.086 120.300 0.014 0.000 2.689 240 Y HA 0.272 4.830 4.550 0.014 0.000 0.333 240 Y C -1.442 174.460 175.900 0.003 0.000 1.208 240 Y CA -1.394 56.703 58.100 -0.006 0.000 1.055 240 Y CB 1.019 39.470 38.460 -0.015 0.000 1.304 240 Y HN 0.608 nan 8.280 nan 0.000 0.455 241 Q N 0.758 120.630 119.800 0.120 0.000 2.458 241 Q HA 0.848 5.196 4.340 0.014 0.000 0.282 241 Q C -2.006 174.118 176.000 0.207 0.000 1.106 241 Q CA -1.339 54.499 55.803 0.059 0.000 0.814 241 Q CB 3.074 31.841 28.738 0.049 0.000 1.425 241 Q HN 0.606 nan 8.270 nan 0.000 0.437 242 V N 2.442 122.448 119.914 0.153 0.000 2.409 242 V HA 0.490 4.619 4.120 0.014 0.000 0.291 242 V C -0.582 175.600 176.094 0.147 0.000 1.020 242 V CA -0.514 61.886 62.300 0.167 0.000 0.848 242 V CB 1.193 33.103 31.823 0.144 0.000 0.990 242 V HN 0.673 nan 8.190 nan 0.000 0.430 243 I N 3.627 124.324 120.570 0.211 0.000 2.439 243 I HA 0.554 4.733 4.170 0.014 0.000 0.285 243 I C 1.050 177.268 176.117 0.169 0.000 1.021 243 I CA -0.500 60.905 61.300 0.175 0.000 1.091 243 I CB 1.793 39.888 38.000 0.159 0.000 1.242 243 I HN 0.820 nan 8.210 nan 0.000 0.439 244 G N 4.265 113.124 108.800 0.098 0.000 2.283 244 G HA2 -0.150 3.819 3.960 0.014 0.000 0.280 244 G HA3 -0.150 3.819 3.960 0.014 0.000 0.280 244 G C 0.998 175.941 174.900 0.071 0.000 1.029 244 G CA 0.685 45.831 45.100 0.076 0.000 0.840 244 G HN 1.548 nan 8.290 nan 0.000 0.505 245 G N -1.961 106.878 108.800 0.066 0.000 2.179 245 G HA2 -0.224 3.744 3.960 0.014 0.000 0.260 245 G HA3 -0.224 3.744 3.960 0.014 0.000 0.260 245 G C 0.045 174.956 174.900 0.018 0.000 0.977 245 G CA 0.867 45.991 45.100 0.040 0.000 0.641 245 G HN 0.938 nan 8.290 nan 0.000 0.533 246 E N -0.217 120.004 120.200 0.035 0.000 2.195 246 E HA 0.547 4.905 4.350 0.014 0.000 0.271 246 E C -0.071 176.429 176.600 -0.166 0.000 0.923 246 E CA -0.774 55.568 56.400 -0.096 0.000 0.790 246 E CB 2.409 32.038 29.700 -0.118 0.000 1.155 246 E HN 0.092 nan 8.360 nan 0.000 0.402 247 V N 3.801 123.524 119.914 -0.319 0.000 2.432 247 V HA 0.187 4.316 4.120 0.014 0.000 0.271 247 V C -0.676 175.095 176.094 -0.539 0.000 1.046 247 V CA 0.084 62.225 62.300 -0.266 0.000 0.945 247 V CB -0.370 31.277 31.823 -0.293 0.000 0.992 247 V HN 0.514 nan 8.190 nan 0.000 0.471 248 Y N 4.986 125.219 120.300 -0.112 0.000 2.633 248 Y HA 0.518 5.076 4.550 0.014 0.000 0.339 248 Y C -2.209 173.522 175.900 -0.282 0.000 1.045 248 Y CA -2.727 55.190 58.100 -0.305 0.000 1.098 248 Y CB 1.945 40.094 38.460 -0.518 0.000 1.296 248 Y HN 0.425 nan 8.280 nan 0.000 0.494 249 P HA 0.053 nan 4.420 nan 0.000 0.271 249 P C -2.515 174.718 177.300 -0.111 0.000 1.233 249 P CA -0.840 62.176 63.100 -0.140 0.000 0.789 249 P CB 0.010 31.637 31.700 -0.121 0.000 0.951 250 P HA 0.078 nan 4.420 nan 0.000 0.277 250 P C -0.426 176.958 177.300 0.140 0.000 1.276 250 P CA 0.009 63.144 63.100 0.059 0.000 0.788 250 P CB 0.052 31.780 31.700 0.045 0.000 1.114 251 T N -3.664 110.967 114.554 0.128 0.000 2.927 251 T HA 0.236 4.595 4.350 0.014 0.000 0.281 251 T C 1.408 176.165 174.700 0.095 0.000 0.998 251 T CA -0.707 61.476 62.100 0.139 0.000 1.019 251 T CB 0.239 69.153 68.868 0.076 0.000 1.061 251 T HN 0.056 nan 8.240 nan 0.000 0.518 252 V N 1.393 121.356 119.914 0.082 0.000 2.407 252 V HA -0.129 4.000 4.120 0.014 0.000 0.248 252 V C 2.796 178.912 176.094 0.036 0.000 1.055 252 V CA 2.237 64.578 62.300 0.068 0.000 1.049 252 V CB -0.883 30.983 31.823 0.070 0.000 0.662 252 V HN 1.040 nan 8.190 nan 0.000 0.455 253 K N 0.258 120.668 120.400 0.017 0.000 2.057 253 K HA -0.251 4.077 4.320 0.014 0.000 0.206 253 K C 1.892 178.500 176.600 0.013 0.000 1.050 253 K CA 2.089 58.380 56.287 0.006 0.000 0.935 253 K CB -0.256 32.239 32.500 -0.009 0.000 0.715 253 K HN 0.473 nan 8.250 nan 0.000 0.439 254 D N -0.569 119.844 120.400 0.021 0.000 2.183 254 D HA -0.100 4.548 4.640 0.014 0.000 0.203 254 D C 1.703 178.018 176.300 0.026 0.000 0.969 254 D CA 1.753 55.764 54.000 0.018 0.000 0.842 254 D CB 0.156 40.966 40.800 0.017 0.000 0.957 254 D HN 0.443 nan 8.370 nan 0.000 0.484 255 T N -4.463 110.113 114.554 0.037 0.000 2.990 255 T HA 0.132 4.490 4.350 0.014 0.000 0.249 255 T C 0.863 175.588 174.700 0.041 0.000 1.039 255 T CA 0.265 62.391 62.100 0.043 0.000 1.036 255 T CB 0.195 69.095 68.868 0.052 0.000 0.994 255 T HN -0.019 nan 8.240 nan 0.000 0.489 256 Q N 0.257 120.079 119.800 0.036 0.000 2.460 256 Q HA -0.126 4.222 4.340 0.014 0.000 0.248 256 Q C 0.036 176.056 176.000 0.033 0.000 0.847 256 Q CA 0.817 56.639 55.803 0.031 0.000 1.214 256 Q CB -2.648 26.106 28.738 0.025 0.000 1.523 256 Q HN 0.894 nan 8.270 nan 0.000 0.602 257 V N -1.072 118.867 119.914 0.042 0.000 2.546 257 V HA 0.379 4.507 4.120 0.014 0.000 0.284 257 V C 0.540 176.658 176.094 0.039 0.000 1.050 257 V CA -0.566 61.756 62.300 0.036 0.000 0.981 257 V CB 1.447 33.293 31.823 0.038 0.000 0.990 257 V HN 0.214 nan 8.190 nan 0.000 0.474 258 E N 6.304 126.515 120.200 0.020 0.000 2.344 258 E HA 0.331 4.690 4.350 0.014 0.000 0.270 258 E C -0.543 176.064 176.600 0.011 0.000 1.021 258 E CA -0.118 56.292 56.400 0.016 0.000 0.887 258 E CB 0.926 30.623 29.700 -0.005 0.000 0.997 258 E HN 0.625 nan 8.360 nan 0.000 0.429 259 M N 2.300 121.919 119.600 0.033 0.000 2.550 259 M HA 0.419 4.907 4.480 0.014 0.000 0.292 259 M C -0.487 175.766 176.300 -0.079 0.000 1.221 259 M CA -0.810 54.476 55.300 -0.023 0.000 0.873 259 M CB 1.793 34.450 32.600 0.094 0.000 1.727 259 M HN 0.405 nan 8.290 nan 0.000 0.459 260 I N 2.282 122.715 120.570 -0.229 0.000 2.301 260 I HA 0.297 4.475 4.170 0.014 0.000 0.292 260 I C -1.307 174.573 176.117 -0.396 0.000 1.046 260 I CA -0.121 61.058 61.300 -0.202 0.000 1.282 260 I CB 0.233 38.152 38.000 -0.135 0.000 1.409 260 I HN 0.494 nan 8.210 nan 0.000 0.484 261 Y N 6.550 126.810 120.300 -0.068 0.000 2.504 261 Y HA 0.401 4.959 4.550 0.014 0.000 0.344 261 Y C -2.078 173.696 175.900 -0.210 0.000 1.023 261 Y CA -2.119 55.902 58.100 -0.132 0.000 1.020 261 Y CB 1.997 40.375 38.460 -0.136 0.000 1.282 261 Y HN 0.427 nan 8.280 nan 0.000 0.454 262 P HA 0.084 nan 4.420 nan 0.000 0.269 262 P C -2.275 174.894 177.300 -0.219 0.000 1.215 262 P CA -1.277 61.664 63.100 -0.265 0.000 0.780 262 P CB 0.748 32.165 31.700 -0.472 0.000 0.898 263 P HA -0.161 nan 4.420 nan 0.000 0.225 263 P C 1.167 178.439 177.300 -0.047 0.000 1.148 263 P CA 1.497 64.567 63.100 -0.051 0.000 0.779 263 P CB -0.448 31.251 31.700 -0.002 0.000 0.780 264 H N -1.649 117.385 119.070 -0.060 0.000 2.539 264 H HA 0.117 4.681 4.556 0.014 0.000 0.267 264 H C 0.482 175.767 175.328 -0.071 0.000 0.982 264 H CA -0.315 55.700 56.048 -0.055 0.000 1.146 264 H CB -0.211 29.526 29.762 -0.041 0.000 1.382 264 H HN 0.014 nan 8.280 nan 0.000 0.577 265 I N 5.245 125.569 120.570 -0.411 0.000 2.452 265 I HA 0.122 4.301 4.170 0.014 0.000 0.287 265 I C -2.062 173.898 176.117 -0.262 0.000 1.079 265 I CA -2.508 58.578 61.300 -0.357 0.000 1.387 265 I CB 0.630 38.367 38.000 -0.439 0.000 1.404 265 I HN 0.052 nan 8.210 nan 0.000 0.522 266 P HA 0.113 nan 4.420 nan 0.000 0.271 266 P C 0.526 177.688 177.300 -0.230 0.000 1.216 266 P CA -0.138 62.858 63.100 -0.175 0.000 0.771 266 P CB 0.961 32.578 31.700 -0.138 0.000 0.864 267 E N 1.865 121.962 120.200 -0.173 0.000 2.219 267 E HA -0.217 4.141 4.350 0.014 0.000 0.198 267 E C 1.557 178.053 176.600 -0.174 0.000 0.998 267 E CA 1.137 57.436 56.400 -0.169 0.000 0.818 267 E CB -0.110 29.532 29.700 -0.098 0.000 0.741 267 E HN 0.574 nan 8.360 nan 0.000 0.477 268 N N 0.456 119.061 118.700 -0.158 0.000 2.461 268 N HA -0.106 4.642 4.740 0.014 0.000 0.188 268 N C 1.255 176.633 175.510 -0.219 0.000 1.134 268 N CA 0.480 53.456 53.050 -0.124 0.000 0.878 268 N CB 0.216 38.653 38.487 -0.084 0.000 0.972 268 N HN 0.236 nan 8.380 nan 0.000 0.456 269 L N -0.077 120.916 121.223 -0.384 0.000 2.766 269 L HA 0.216 4.565 4.340 0.014 0.000 0.242 269 L C 0.211 176.530 176.870 -0.920 0.000 1.136 269 L CA -0.025 54.410 54.840 -0.675 0.000 0.933 269 L CB 0.324 42.071 42.059 -0.520 0.000 1.241 269 L HN 0.004 nan 8.230 nan 0.000 0.522 270 Q N 1.086 120.456 119.800 -0.716 0.000 2.664 270 Q HA 0.203 4.551 4.340 0.014 0.000 0.223 270 Q C -0.677 175.200 176.000 -0.205 0.000 1.298 270 Q CA -0.104 55.175 55.803 -0.874 0.000 0.965 270 Q CB -0.012 28.349 28.738 -0.628 0.000 1.510 270 Q HN 0.231 nan 8.270 nan 0.000 0.567 271 F N 1.021 120.947 119.950 -0.041 0.000 2.529 271 F HA 0.224 4.760 4.527 0.014 0.000 0.365 271 F C 0.831 176.752 175.800 0.201 0.000 1.102 271 F CA -0.946 57.112 58.000 0.097 0.000 1.271 271 F CB 0.682 39.746 39.000 0.106 0.000 1.120 271 F HN 0.372 nan 8.300 nan 0.000 0.579 272 A N 4.223 127.241 122.820 0.331 0.000 2.271 272 A HA 0.714 5.043 4.320 0.014 0.000 0.317 272 A C -0.597 177.075 177.584 0.147 0.000 1.245 272 A CA -0.494 51.669 52.037 0.209 0.000 0.857 272 A CB 0.765 19.850 19.000 0.143 0.000 1.175 272 A HN 0.667 nan 8.150 nan 0.000 0.512 273 V N -0.100 119.882 119.914 0.113 0.000 3.182 273 V HA 0.865 4.994 4.120 0.014 0.000 0.308 273 V C 1.126 177.205 176.094 -0.026 0.000 1.240 273 V CA -0.068 62.269 62.300 0.062 0.000 1.063 273 V CB 0.977 32.883 31.823 0.137 0.000 1.076 273 V HN 1.053 nan 8.190 nan 0.000 0.446 274 G N -0.699 108.051 108.800 -0.083 0.000 2.469 274 G HA2 -0.126 3.843 3.960 0.014 0.000 0.219 274 G HA3 -0.126 3.843 3.960 0.014 0.000 0.219 274 G C 0.721 175.486 174.900 -0.225 0.000 1.150 274 G CA 0.940 45.958 45.100 -0.136 0.000 0.763 274 G HN 0.698 nan 8.290 nan 0.000 0.561 275 Q N 0.522 120.064 119.800 -0.429 0.000 2.340 275 Q HA 0.176 4.524 4.340 0.014 0.000 0.259 275 Q C 1.312 177.026 176.000 -0.476 0.000 0.964 275 Q CA -0.157 55.232 55.803 -0.689 0.000 0.900 275 Q CB 1.541 29.249 28.738 -1.717 0.000 1.228 275 Q HN 0.764 nan 8.270 nan 0.000 0.449 276 E N 1.880 121.908 120.200 -0.286 0.000 2.333 276 E HA -0.126 4.232 4.350 0.014 0.000 0.198 276 E C 1.020 177.524 176.600 -0.161 0.000 1.007 276 E CA 0.709 57.005 56.400 -0.173 0.000 0.845 276 E CB 0.153 29.778 29.700 -0.124 0.000 0.766 276 E HN 0.261 nan 8.360 nan 0.000 0.507 277 V N 0.127 119.956 119.914 -0.142 0.000 3.647 277 V HA 0.023 4.151 4.120 0.014 0.000 0.279 277 V C 0.530 176.730 176.094 0.177 0.000 1.314 277 V CA 0.067 62.369 62.300 0.003 0.000 1.125 277 V CB -0.425 31.452 31.823 0.090 0.000 0.907 277 V HN 0.231 nan 8.190 nan 0.000 0.434 278 F N 0.944 120.863 119.950 -0.053 0.000 2.748 278 F HA 0.233 4.769 4.527 0.014 0.000 0.299 278 F C 2.183 177.969 175.800 -0.023 0.000 1.154 278 F CA 0.553 58.549 58.000 -0.007 0.000 1.446 278 F CB -1.045 37.983 39.000 0.047 0.000 1.112 278 F HN 0.304 nan 8.300 nan 0.000 0.584 279 G N -0.747 108.081 108.800 0.047 0.000 2.920 279 G HA2 -0.049 3.920 3.960 0.014 0.000 0.208 279 G HA3 -0.049 3.920 3.960 0.014 0.000 0.208 279 G C 1.556 176.467 174.900 0.018 0.000 1.159 279 G CA 0.059 45.161 45.100 0.004 0.000 0.784 279 G HN 0.223 nan 8.290 nan 0.000 0.535 280 L N 0.668 121.896 121.223 0.008 0.000 2.375 280 L HA 0.312 4.660 4.340 0.014 0.000 0.215 280 L C 0.002 176.796 176.870 -0.127 0.000 1.108 280 L CA 1.027 55.897 54.840 0.049 0.000 0.830 280 L CB 0.149 42.271 42.059 0.104 0.000 0.959 280 L HN -0.014 nan 8.230 nan 0.000 0.457 281 V N -0.196 119.628 119.914 -0.151 0.000 2.612 281 V HA 0.283 4.411 4.120 0.014 0.000 0.301 281 V C -1.751 174.104 176.094 -0.398 0.000 1.059 281 V CA -0.972 61.140 62.300 -0.313 0.000 0.886 281 V CB 1.575 33.312 31.823 -0.144 0.000 1.007 281 V HN -0.136 nan 8.190 nan 0.000 0.426 282 P HA -0.114 nan 4.420 nan 0.000 0.217 282 P C 1.632 178.759 177.300 -0.289 0.000 1.148 282 P CA 1.707 64.536 63.100 -0.452 0.000 0.828 282 P CB 0.296 31.642 31.700 -0.592 0.000 0.783 283 G N -0.538 107.949 108.800 -0.521 0.000 2.422 283 G HA2 -0.215 3.753 3.960 0.014 0.000 0.218 283 G HA3 -0.215 3.753 3.960 0.014 0.000 0.218 283 G C 1.345 175.961 174.900 -0.473 0.000 1.146 283 G CA 0.435 44.993 45.100 -0.903 0.000 0.769 283 G HN 0.143 nan 8.290 nan 0.000 0.547 284 L N -0.159 120.841 121.223 -0.372 0.000 2.027 284 L HA 0.114 4.462 4.340 0.014 0.000 0.206 284 L C 2.722 179.490 176.870 -0.171 0.000 1.074 284 L CA 1.459 56.141 54.840 -0.263 0.000 0.745 284 L CB -0.820 41.019 42.059 -0.368 0.000 0.898 284 L HN 0.209 nan 8.230 nan 0.000 0.433 285 M N -1.474 118.057 119.600 -0.116 0.000 2.279 285 M HA -0.193 4.295 4.480 0.014 0.000 0.264 285 M C 2.139 178.396 176.300 -0.072 0.000 1.062 285 M CA 1.416 56.713 55.300 -0.004 0.000 1.099 285 M CB -0.476 32.160 32.600 0.061 0.000 1.394 285 M HN 0.279 nan 8.290 nan 0.000 0.426 286 M N -1.545 117.952 119.600 -0.173 0.000 2.086 286 M HA -0.257 4.231 4.480 0.014 0.000 0.261 286 M C 1.582 177.740 176.300 -0.237 0.000 1.067 286 M CA 1.904 57.061 55.300 -0.237 0.000 1.116 286 M CB -0.328 32.144 32.600 -0.213 0.000 1.348 286 M HN 0.247 nan 8.290 nan 0.000 0.407 287 Y N 0.244 120.415 120.300 -0.214 0.000 2.314 287 Y HA -0.009 4.549 4.550 0.014 0.000 0.293 287 Y C 2.619 178.356 175.900 -0.273 0.000 1.129 287 Y CA 1.315 59.208 58.100 -0.344 0.000 1.201 287 Y CB -0.917 37.127 38.460 -0.693 0.000 0.999 287 Y HN 0.385 nan 8.280 nan 0.000 0.541 288 A N -0.776 122.030 122.820 -0.023 0.000 1.940 288 A HA -0.196 4.132 4.320 0.014 0.000 0.219 288 A C 2.289 179.932 177.584 0.098 0.000 1.176 288 A CA 2.344 54.492 52.037 0.185 0.000 0.631 288 A CB -1.094 18.061 19.000 0.258 0.000 0.814 288 A HN 0.397 nan 8.150 nan 0.000 0.446 289 T N 0.017 114.571 114.554 -0.001 0.000 2.812 289 T HA -0.002 4.357 4.350 0.014 0.000 0.264 289 T C 1.809 176.449 174.700 -0.101 0.000 1.042 289 T CA 1.266 63.320 62.100 -0.076 0.000 1.140 289 T CB -0.346 68.442 68.868 -0.135 0.000 0.870 289 T HN 0.407 nan 8.240 nan 0.000 0.445 290 I N -0.527 119.967 120.570 -0.126 0.000 2.163 290 I HA -0.210 3.968 4.170 0.014 0.000 0.243 290 I C 2.183 178.210 176.117 -0.149 0.000 1.085 290 I CA 1.582 62.766 61.300 -0.194 0.000 1.347 290 I CB -0.262 37.573 38.000 -0.275 0.000 1.044 290 I HN 0.348 nan 8.210 nan 0.000 0.408 291 W N 0.318 121.612 121.300 -0.010 0.000 2.436 291 W HA -0.087 4.582 4.660 0.014 0.000 0.284 291 W C 2.446 178.958 176.519 -0.010 0.000 1.225 291 W CA 0.421 57.773 57.345 0.011 0.000 1.271 291 W CB -0.183 29.282 29.460 0.009 0.000 1.114 291 W HN 0.094 nan 8.180 nan 0.000 0.559 292 L N 0.623 121.945 121.223 0.166 0.000 2.012 292 L HA -0.262 4.087 4.340 0.014 0.000 0.210 292 L C 2.506 179.421 176.870 0.075 0.000 1.073 292 L CA 1.712 56.602 54.840 0.084 0.000 0.748 292 L CB -0.324 41.748 42.059 0.021 0.000 0.891 292 L HN -0.057 nan 8.230 nan 0.000 0.431 293 R N -0.283 120.209 120.500 -0.013 0.000 2.081 293 R HA -0.244 4.105 4.340 0.014 0.000 0.235 293 R C 2.180 178.474 176.300 -0.010 0.000 1.131 293 R CA 1.713 57.770 56.100 -0.072 0.000 0.960 293 R CB -0.276 29.938 30.300 -0.145 0.000 0.856 293 R HN 0.341 nan 8.270 nan 0.000 0.436 294 E N -0.332 119.886 120.200 0.029 0.000 2.085 294 E HA -0.246 4.112 4.350 0.014 0.000 0.194 294 E C 1.709 178.401 176.600 0.153 0.000 0.994 294 E CA 1.892 58.331 56.400 0.066 0.000 0.801 294 E CB -0.216 29.530 29.700 0.076 0.000 0.743 294 E HN 0.498 nan 8.360 nan 0.000 0.453 295 H N -0.213 118.950 119.070 0.154 0.000 2.319 295 H HA -0.049 4.515 4.556 0.014 0.000 0.299 295 H C 1.632 177.036 175.328 0.127 0.000 1.092 295 H CA 2.252 58.407 56.048 0.179 0.000 1.302 295 H CB -0.138 29.753 29.762 0.216 0.000 1.373 295 H HN 0.138 nan 8.280 nan 0.000 0.497 296 N N 0.260 119.070 118.700 0.183 0.000 2.244 296 N HA -0.126 4.622 4.740 0.014 0.000 0.183 296 N C 1.977 177.485 175.510 -0.003 0.000 1.016 296 N CA 0.864 53.968 53.050 0.090 0.000 0.866 296 N CB -0.348 38.163 38.487 0.040 0.000 0.980 296 N HN 0.418 nan 8.380 nan 0.000 0.430 297 R N 0.796 121.288 120.500 -0.013 0.000 2.073 297 R HA -0.045 4.303 4.340 0.014 0.000 0.234 297 R C 1.674 177.966 176.300 -0.014 0.000 1.134 297 R CA 1.158 57.244 56.100 -0.022 0.000 0.952 297 R CB -0.281 30.003 30.300 -0.025 0.000 0.850 297 R HN -0.013 nan 8.270 nan 0.000 0.433 298 V N 0.423 120.327 119.914 -0.016 0.000 2.407 298 V HA -0.305 3.824 4.120 0.014 0.000 0.248 298 V C 2.576 178.660 176.094 -0.016 0.000 1.055 298 V CA 1.611 63.908 62.300 -0.006 0.000 1.049 298 V CB -0.480 31.351 31.823 0.013 0.000 0.662 298 V HN 0.532 nan 8.190 nan 0.000 0.455 299 C N 0.148 119.405 119.300 -0.072 0.000 2.413 299 C HA -0.190 4.278 4.460 0.014 0.000 0.276 299 C C 2.536 177.552 174.990 0.043 0.000 1.236 299 C CA 1.160 60.173 59.018 -0.008 0.000 1.735 299 C CB -1.052 26.690 27.740 0.002 0.000 2.031 299 C HN 0.607 nan 8.230 nan 0.000 0.474 300 D N 0.575 120.990 120.400 0.024 0.000 2.117 300 D HA -0.075 4.574 4.640 0.014 0.000 0.197 300 D C 1.918 178.228 176.300 0.017 0.000 0.987 300 D CA 1.133 55.148 54.000 0.025 0.000 0.829 300 D CB -0.385 40.420 40.800 0.008 0.000 0.961 300 D HN 0.480 nan 8.370 nan 0.000 0.460 301 I N 0.524 121.102 120.570 0.013 0.000 2.179 301 I HA -0.230 3.948 4.170 0.014 0.000 0.242 301 I C 2.447 178.566 176.117 0.004 0.000 1.088 301 I CA 0.702 62.004 61.300 0.005 0.000 1.357 301 I CB -0.115 37.893 38.000 0.012 0.000 1.051 301 I HN -0.033 nan 8.210 nan 0.000 0.409 302 L N 0.519 121.770 121.223 0.047 0.000 2.083 302 L HA -0.226 4.123 4.340 0.014 0.000 0.209 302 L C 2.601 179.493 176.870 0.037 0.000 1.083 302 L CA 1.344 56.230 54.840 0.078 0.000 0.752 302 L CB -0.512 41.669 42.059 0.203 0.000 0.899 302 L HN 0.234 nan 8.230 nan 0.000 0.433 303 K N 0.238 120.678 120.400 0.066 0.000 2.097 303 K HA -0.275 4.053 4.320 0.014 0.000 0.206 303 K C 2.172 178.763 176.600 -0.014 0.000 1.049 303 K CA 1.596 57.921 56.287 0.064 0.000 0.933 303 K CB 0.033 32.583 32.500 0.082 0.000 0.717 303 K HN 0.152 nan 8.250 nan 0.000 0.442 304 Q N 0.481 120.258 119.800 -0.038 0.000 2.119 304 Q HA -0.143 4.205 4.340 0.014 0.000 0.201 304 Q C 1.430 177.338 176.000 -0.154 0.000 0.972 304 Q CA 1.557 57.317 55.803 -0.071 0.000 0.847 304 Q CB 0.196 28.902 28.738 -0.054 0.000 0.903 304 Q HN 0.271 nan 8.270 nan 0.000 0.433 305 E N -0.468 119.588 120.200 -0.239 0.000 2.230 305 E HA -0.037 4.321 4.350 0.014 0.000 0.192 305 E C 0.062 176.182 176.600 -0.800 0.000 0.987 305 E CA 0.683 56.791 56.400 -0.487 0.000 0.841 305 E CB 0.352 29.720 29.700 -0.554 0.000 0.783 305 E HN 0.453 nan 8.360 nan 0.000 0.481 306 H N 0.050 118.894 119.070 -0.377 0.000 2.429 306 H HA 0.162 4.727 4.556 0.014 0.000 0.231 306 H C -1.851 173.339 175.328 -0.231 0.000 1.416 306 H CA -1.493 54.234 56.048 -0.535 0.000 1.443 306 H CB 1.260 30.183 29.762 -1.398 0.000 1.591 306 H HN -0.015 nan 8.280 nan 0.000 0.507 307 P HA -0.130 nan 4.420 nan 0.000 0.225 307 P C 0.675 178.031 177.300 0.092 0.000 1.148 307 P CA 0.970 64.087 63.100 0.029 0.000 0.779 307 P CB 0.450 32.151 31.700 0.002 0.000 0.780 308 E N -2.130 118.135 120.200 0.109 0.000 2.427 308 E HA -0.058 4.301 4.350 0.014 0.000 0.196 308 E C 0.402 177.204 176.600 0.336 0.000 1.028 308 E CA 0.265 56.776 56.400 0.186 0.000 0.864 308 E CB -0.647 29.170 29.700 0.194 0.000 0.813 308 E HN 0.261 nan 8.360 nan 0.000 0.514 309 W N 1.571 122.918 121.300 0.079 0.000 2.251 309 W HA 0.583 5.251 4.660 0.014 0.000 0.329 309 W C 1.098 177.649 176.519 0.054 0.000 1.234 309 W CA -1.062 56.313 57.345 0.049 0.000 1.228 309 W CB 0.664 30.148 29.460 0.039 0.000 1.135 309 W HN -0.017 nan 8.180 nan 0.000 0.576 310 G N 0.838 109.755 108.800 0.195 0.000 2.535 310 G HA2 0.112 4.080 3.960 0.014 0.000 0.303 310 G HA3 0.112 4.080 3.960 0.014 0.000 0.303 310 G C 0.322 175.300 174.900 0.129 0.000 1.237 310 G CA -0.218 44.959 45.100 0.128 0.000 0.986 310 G HN 0.480 nan 8.290 nan 0.000 0.494 311 D N -0.962 119.514 120.400 0.127 0.000 2.116 311 D HA -0.162 4.486 4.640 0.014 0.000 0.193 311 D C 2.052 178.436 176.300 0.141 0.000 0.998 311 D CA 1.512 55.601 54.000 0.148 0.000 0.836 311 D CB 0.186 41.080 40.800 0.158 0.000 0.951 311 D HN 0.296 nan 8.370 nan 0.000 0.449 312 E N 0.115 120.372 120.200 0.094 0.000 2.058 312 E HA -0.234 4.124 4.350 0.014 0.000 0.194 312 E C 2.036 178.672 176.600 0.060 0.000 0.997 312 E CA 0.992 57.445 56.400 0.088 0.000 0.801 312 E CB -0.421 29.301 29.700 0.037 0.000 0.746 312 E HN 0.541 nan 8.360 nan 0.000 0.450 313 Q N -0.015 119.729 119.800 -0.094 0.000 2.167 313 Q HA -0.065 4.284 4.340 0.014 0.000 0.202 313 Q C 2.389 178.268 176.000 -0.202 0.000 0.970 313 Q CA 0.703 56.305 55.803 -0.335 0.000 0.855 313 Q CB 0.015 28.271 28.738 -0.804 0.000 0.911 313 Q HN 0.219 nan 8.270 nan 0.000 0.438 314 L N -0.348 120.914 121.223 0.064 0.000 2.056 314 L HA -0.128 4.220 4.340 0.014 0.000 0.207 314 L C 2.234 179.212 176.870 0.181 0.000 1.078 314 L CA 1.056 56.038 54.840 0.236 0.000 0.749 314 L CB -0.443 41.782 42.059 0.277 0.000 0.901 314 L HN 0.316 nan 8.230 nan 0.000 0.433 315 F N 0.474 120.472 119.950 0.079 0.000 2.102 315 F HA -0.238 4.298 4.527 0.014 0.000 0.298 315 F C 2.709 178.554 175.800 0.075 0.000 1.105 315 F CA 1.539 59.615 58.000 0.128 0.000 1.239 315 F CB -0.169 38.867 39.000 0.062 0.000 0.991 315 F HN 0.023 nan 8.300 nan 0.000 0.474 316 Q N 0.001 119.810 119.800 0.014 0.000 2.079 316 Q HA -0.127 4.221 4.340 0.014 0.000 0.200 316 Q C 2.222 178.143 176.000 -0.132 0.000 0.974 316 Q CA 2.163 57.894 55.803 -0.120 0.000 0.840 316 Q CB -1.077 27.663 28.738 0.003 0.000 0.898 316 Q HN 0.436 nan 8.270 nan 0.000 0.430 317 T N 0.870 115.390 114.554 -0.057 0.000 2.777 317 T HA -0.070 4.288 4.350 0.014 0.000 0.266 317 T C 2.191 176.949 174.700 0.098 0.000 1.040 317 T CA 1.358 63.490 62.100 0.053 0.000 1.141 317 T CB -0.159 68.804 68.868 0.159 0.000 0.868 317 T HN 0.179 nan 8.240 nan 0.000 0.444 318 S N 1.020 116.732 115.700 0.019 0.000 2.370 318 S HA -0.131 4.347 4.470 0.014 0.000 0.226 318 S C 2.096 176.722 174.600 0.043 0.000 1.033 318 S CA 1.194 59.384 58.200 -0.017 0.000 1.011 318 S CB -0.290 62.737 63.200 -0.288 0.000 0.852 318 S HN 0.464 nan 8.310 nan 0.000 0.457 319 R N 0.993 121.413 120.500 -0.134 0.000 2.091 319 R HA -0.058 4.291 4.340 0.014 0.000 0.238 319 R C 2.133 178.468 176.300 0.057 0.000 1.136 319 R CA 1.252 57.243 56.100 -0.182 0.000 0.959 319 R CB -0.392 29.425 30.300 -0.804 0.000 0.856 319 R HN 0.361 nan 8.270 nan 0.000 0.437 320 L N 0.305 121.590 121.223 0.103 0.000 2.083 320 L HA -0.171 4.177 4.340 0.014 0.000 0.209 320 L C 2.471 179.583 176.870 0.402 0.000 1.083 320 L CA 1.192 56.205 54.840 0.289 0.000 0.752 320 L CB -0.336 41.924 42.059 0.336 0.000 0.899 320 L HN 0.295 nan 8.230 nan 0.000 0.433 321 I N -0.563 120.215 120.570 0.347 0.000 2.179 321 I HA -0.307 3.871 4.170 0.014 0.000 0.242 321 I C 2.339 178.603 176.117 0.244 0.000 1.088 321 I CA 1.131 62.590 61.300 0.264 0.000 1.357 321 I CB -0.125 38.011 38.000 0.226 0.000 1.051 321 I HN 0.182 nan 8.210 nan 0.000 0.409 322 L N 0.270 121.656 121.223 0.272 0.000 2.131 322 L HA -0.174 4.174 4.340 0.014 0.000 0.210 322 L C 2.282 179.279 176.870 0.212 0.000 1.092 322 L CA 1.692 56.719 54.840 0.311 0.000 0.759 322 L CB -0.529 41.752 42.059 0.370 0.000 0.903 322 L HN 0.170 nan 8.230 nan 0.000 0.435 323 I N -0.984 119.713 120.570 0.212 0.000 2.179 323 I HA -0.257 3.922 4.170 0.014 0.000 0.242 323 I C 2.502 178.732 176.117 0.188 0.000 1.088 323 I CA 1.484 62.892 61.300 0.180 0.000 1.357 323 I CB -0.931 37.193 38.000 0.208 0.000 1.051 323 I HN 0.351 nan 8.210 nan 0.000 0.409 324 G N 0.325 109.277 108.800 0.254 0.000 2.421 324 G HA2 -0.227 3.741 3.960 0.014 0.000 0.216 324 G HA3 -0.227 3.741 3.960 0.014 0.000 0.216 324 G C 1.497 176.521 174.900 0.207 0.000 1.171 324 G CA 0.598 45.870 45.100 0.287 0.000 0.775 324 G HN 0.419 nan 8.290 nan 0.000 0.543 325 E N -0.075 120.264 120.200 0.231 0.000 2.085 325 E HA -0.120 4.239 4.350 0.014 0.000 0.194 325 E C 2.746 179.507 176.600 0.268 0.000 0.994 325 E CA 1.468 58.030 56.400 0.270 0.000 0.801 325 E CB -0.305 29.628 29.700 0.388 0.000 0.743 325 E HN 0.349 nan 8.360 nan 0.000 0.453 326 T N 1.528 116.219 114.554 0.229 0.000 2.708 326 T HA -0.117 4.241 4.350 0.014 0.000 0.266 326 T C 2.028 176.729 174.700 0.002 0.000 1.037 326 T CA 0.949 63.145 62.100 0.161 0.000 1.146 326 T CB -0.173 68.700 68.868 0.007 0.000 0.865 326 T HN 0.114 nan 8.240 nan 0.000 0.435 327 I N 0.795 121.289 120.570 -0.127 0.000 2.315 327 I HA -0.140 4.038 4.170 0.014 0.000 0.248 327 I C 2.542 178.319 176.117 -0.567 0.000 1.117 327 I CA 1.049 62.116 61.300 -0.388 0.000 1.404 327 I CB -0.291 37.344 38.000 -0.607 0.000 1.071 327 I HN 0.132 nan 8.210 nan 0.000 0.419 328 K N 1.933 122.041 120.400 -0.487 0.000 2.032 328 K HA -0.150 4.178 4.320 0.014 0.000 0.209 328 K C 1.851 178.451 176.600 0.000 0.000 1.048 328 K CA 1.838 58.039 56.287 -0.143 0.000 0.927 328 K CB -0.391 32.209 32.500 0.167 0.000 0.712 328 K HN 0.259 nan 8.250 nan 0.000 0.441 329 I N -0.091 120.508 120.570 0.048 0.000 2.353 329 I HA -0.210 3.968 4.170 0.014 0.000 0.248 329 I C 2.022 178.176 176.117 0.063 0.000 1.119 329 I CA 0.650 62.005 61.300 0.090 0.000 1.417 329 I CB -0.111 38.000 38.000 0.184 0.000 1.078 329 I HN -0.038 nan 8.210 nan 0.000 0.421 330 V N 1.173 121.066 119.914 -0.035 0.000 2.343 330 V HA -0.279 3.849 4.120 0.014 0.000 0.247 330 V C 2.268 178.416 176.094 0.091 0.000 1.051 330 V CA 1.921 64.162 62.300 -0.099 0.000 1.036 330 V CB -0.335 31.253 31.823 -0.392 0.000 0.654 330 V HN 0.321 nan 8.190 nan 0.000 0.451 331 I N -0.443 120.150 120.570 0.038 0.000 2.193 331 I HA -0.163 4.015 4.170 0.014 0.000 0.240 331 I C 2.421 178.611 176.117 0.121 0.000 1.084 331 I CA 1.559 62.919 61.300 0.100 0.000 1.365 331 I CB -0.284 37.766 38.000 0.084 0.000 1.064 331 I HN 0.326 nan 8.210 nan 0.000 0.410 332 E N 0.077 120.341 120.200 0.106 0.000 2.385 332 E HA -0.091 4.267 4.350 0.014 0.000 0.194 332 E C 0.924 177.584 176.600 0.100 0.000 1.013 332 E CA 0.531 56.985 56.400 0.090 0.000 0.866 332 E CB 0.293 30.043 29.700 0.083 0.000 0.832 332 E HN 0.486 nan 8.360 nan 0.000 0.500 333 D N -0.592 119.901 120.400 0.156 0.000 2.995 333 D HA -0.045 4.604 4.640 0.014 0.000 0.289 333 D C 1.540 178.085 176.300 0.409 0.000 1.116 333 D CA 0.274 54.413 54.000 0.233 0.000 0.994 333 D CB -0.350 40.563 40.800 0.187 0.000 1.209 333 D HN 0.047 nan 8.370 nan 0.000 0.458 334 Y N 2.304 122.736 120.300 0.220 0.000 2.092 334 Y HA -0.171 4.388 4.550 0.014 0.000 0.282 334 Y C 2.204 178.204 175.900 0.167 0.000 1.126 334 Y CA 1.518 59.649 58.100 0.051 0.000 1.111 334 Y CB -0.355 38.003 38.460 -0.169 0.000 0.987 334 Y HN -0.263 nan 8.280 nan 0.000 0.489 335 V N 0.680 120.788 119.914 0.323 0.000 2.515 335 V HA -0.271 3.857 4.120 0.014 0.000 0.250 335 V C 2.262 178.368 176.094 0.020 0.000 1.058 335 V CA 1.971 64.381 62.300 0.183 0.000 1.064 335 V CB -0.762 31.206 31.823 0.241 0.000 0.675 335 V HN 0.425 nan 8.190 nan 0.000 0.461 336 Q N 0.560 120.397 119.800 0.062 0.000 2.061 336 Q HA -0.271 4.077 4.340 0.014 0.000 0.204 336 Q C 2.136 178.100 176.000 -0.060 0.000 0.984 336 Q CA 2.592 58.394 55.803 -0.002 0.000 0.846 336 Q CB -0.542 28.227 28.738 0.051 0.000 0.902 336 Q HN 0.848 nan 8.270 nan 0.000 0.421 337 H N -0.907 118.118 119.070 -0.074 0.000 2.321 337 H HA -0.094 4.470 4.556 0.014 0.000 0.300 337 H C 1.526 176.681 175.328 -0.288 0.000 1.087 337 H CA 1.737 57.697 56.048 -0.145 0.000 1.319 337 H CB -0.372 29.337 29.762 -0.088 0.000 1.379 337 H HN 0.314 nan 8.280 nan 0.000 0.501 338 L N 0.748 121.672 121.223 -0.499 0.000 2.083 338 L HA -0.150 4.198 4.340 0.014 0.000 0.209 338 L C 2.761 179.334 176.870 -0.494 0.000 1.083 338 L CA 2.011 56.501 54.840 -0.584 0.000 0.752 338 L CB -1.208 40.707 42.059 -0.240 0.000 0.899 338 L HN 0.617 nan 8.230 nan 0.000 0.433 339 S N -0.983 114.436 115.700 -0.469 0.000 2.402 339 S HA -0.014 4.465 4.470 0.014 0.000 0.229 339 S C 1.781 176.059 174.600 -0.537 0.000 1.021 339 S CA 0.766 58.543 58.200 -0.704 0.000 0.974 339 S CB -0.761 61.613 63.200 -1.376 0.000 0.800 339 S HN 0.597 nan 8.310 nan 0.000 0.484 340 G N 0.088 108.628 108.800 -0.433 0.000 2.166 340 G HA2 -0.271 3.698 3.960 0.014 0.000 0.260 340 G HA3 -0.271 3.698 3.960 0.014 0.000 0.260 340 G C -0.133 174.620 174.900 -0.245 0.000 0.986 340 G CA 0.534 45.447 45.100 -0.312 0.000 0.683 340 G HN 0.547 nan 8.290 nan 0.000 0.527 341 Y N -0.253 119.903 120.300 -0.241 0.000 2.397 341 Y HA 0.396 4.954 4.550 0.013 0.000 0.335 341 Y C 1.721 177.417 175.900 -0.341 0.000 1.213 341 Y CA -0.219 57.696 58.100 -0.309 0.000 1.391 341 Y CB 0.333 38.687 38.460 -0.176 0.000 1.293 341 Y HN 0.323 nan 8.280 nan 0.000 0.557 342 H N 0.909 119.902 119.070 -0.129 0.000 2.512 342 H HA 0.002 4.566 4.556 0.014 0.000 0.279 342 H C 0.091 175.329 175.328 -0.149 0.000 0.999 342 H CA -0.146 55.834 56.048 -0.113 0.000 1.283 342 H CB 0.190 29.957 29.762 0.008 0.000 1.421 342 H HN 0.424 nan 8.280 nan 0.000 0.554 343 F N 2.740 122.351 119.950 -0.564 0.000 2.529 343 F HA 0.088 4.624 4.527 0.014 0.000 0.365 343 F C 0.406 176.157 175.800 -0.081 0.000 1.102 343 F CA -0.535 57.210 58.000 -0.425 0.000 1.271 343 F CB 0.464 38.944 39.000 -0.866 0.000 1.120 343 F HN -0.210 nan 8.300 nan 0.000 0.579 344 K N 7.990 127.923 120.400 -0.778 0.000 2.250 344 K HA 0.297 4.625 4.320 0.014 0.000 0.280 344 K C -0.559 175.534 176.600 -0.845 0.000 1.098 344 K CA -0.447 55.498 56.287 -0.569 0.000 0.916 344 K CB 0.200 32.521 32.500 -0.298 0.000 1.209 344 K HN 0.709 nan 8.250 nan 0.000 0.461 345 L N 3.303 124.263 121.223 -0.438 0.000 2.483 345 L HA 0.117 4.465 4.340 0.014 0.000 0.275 345 L C 0.369 177.177 176.870 -0.104 0.000 1.220 345 L CA 0.461 55.185 54.840 -0.194 0.000 0.833 345 L CB 0.302 42.384 42.059 0.039 0.000 1.102 345 L HN 0.521 nan 8.230 nan 0.000 0.490 346 K N 1.812 122.214 120.400 0.003 0.000 2.427 346 K HA 0.341 4.669 4.320 0.014 0.000 0.252 346 K C -1.360 175.323 176.600 0.137 0.000 0.931 346 K CA -0.730 55.587 56.287 0.049 0.000 0.793 346 K CB 1.626 34.138 32.500 0.020 0.000 1.211 346 K HN 0.286 nan 8.250 nan 0.000 0.426 347 F N 4.544 124.486 119.950 -0.013 0.000 2.368 347 F HA 0.330 4.865 4.527 0.014 0.000 0.362 347 F C -0.918 174.837 175.800 -0.075 0.000 1.137 347 F CA -0.772 57.205 58.000 -0.039 0.000 1.161 347 F CB 0.499 39.494 39.000 -0.008 0.000 1.265 347 F HN 0.452 nan 8.300 nan 0.000 0.530 348 D N 8.456 128.603 120.400 -0.422 0.000 2.337 348 D HA 0.301 4.950 4.640 0.014 0.000 0.238 348 D C -2.252 173.666 176.300 -0.637 0.000 1.331 348 D CA -1.862 51.819 54.000 -0.532 0.000 0.967 348 D CB 1.791 42.460 40.800 -0.219 0.000 1.382 348 D HN 0.165 nan 8.370 nan 0.000 0.549 349 P HA -0.158 nan 4.420 nan 0.000 0.217 349 P C 0.932 177.571 177.300 -1.102 0.000 1.151 349 P CA 1.146 63.673 63.100 -0.954 0.000 0.849 349 P CB 0.353 31.201 31.700 -1.421 0.000 0.787 350 E N -0.591 118.949 120.200 -1.100 0.000 2.209 350 E HA -0.153 4.206 4.350 0.014 0.000 0.196 350 E C 1.873 178.067 176.600 -0.676 0.000 0.993 350 E CA 0.744 56.392 56.400 -1.253 0.000 0.819 350 E CB -0.660 28.826 29.700 -0.356 0.000 0.745 350 E HN 0.340 nan 8.360 nan 0.000 0.477 351 L N 0.430 121.403 121.223 -0.418 0.000 2.265 351 L HA -0.159 4.190 4.340 0.014 0.000 0.215 351 L C 2.102 178.882 176.870 -0.149 0.000 1.117 351 L CA 0.759 55.483 54.840 -0.192 0.000 0.782 351 L CB -0.162 41.817 42.059 -0.133 0.000 0.914 351 L HN 0.177 nan 8.230 nan 0.000 0.441 352 L N -2.318 118.770 121.223 -0.225 0.000 2.616 352 L HA 0.062 4.410 4.340 0.014 0.000 0.229 352 L C 1.993 178.992 176.870 0.215 0.000 1.110 352 L CA -0.003 54.797 54.840 -0.066 0.000 0.884 352 L CB -0.075 41.852 42.059 -0.220 0.000 1.115 352 L HN 0.174 nan 8.230 nan 0.000 0.481 353 F N 1.526 121.540 119.950 0.107 0.000 2.269 353 F HA -0.170 4.366 4.527 0.014 0.000 0.301 353 F C 1.846 177.725 175.800 0.131 0.000 1.082 353 F CA 0.513 58.604 58.000 0.152 0.000 1.360 353 F CB -0.014 39.068 39.000 0.138 0.000 1.041 353 F HN 0.399 nan 8.300 nan 0.000 0.512 354 N N -0.119 118.752 118.700 0.284 0.000 2.279 354 N HA 0.049 4.797 4.740 0.014 0.000 0.226 354 N C -0.341 175.261 175.510 0.153 0.000 1.126 354 N CA 0.042 53.206 53.050 0.191 0.000 0.846 354 N CB 0.097 38.675 38.487 0.152 0.000 1.050 354 N HN 0.217 nan 8.380 nan 0.000 0.502 355 Q N 0.282 120.185 119.800 0.171 0.000 2.399 355 Q HA 0.378 4.726 4.340 0.014 0.000 0.276 355 Q C -1.093 175.003 176.000 0.160 0.000 1.098 355 Q CA -0.545 55.341 55.803 0.138 0.000 0.827 355 Q CB 1.878 30.679 28.738 0.105 0.000 1.386 355 Q HN 0.207 nan 8.270 nan 0.000 0.443 356 Q N 1.554 121.435 119.800 0.135 0.000 2.293 356 Q HA 0.495 4.844 4.340 0.014 0.000 0.263 356 Q C -1.237 174.874 176.000 0.184 0.000 1.002 356 Q CA 0.112 55.992 55.803 0.128 0.000 0.910 356 Q CB 0.653 29.440 28.738 0.082 0.000 1.185 356 Q HN 0.498 nan 8.270 nan 0.000 0.401 357 F N 1.378 121.282 119.950 -0.077 0.000 2.652 357 F HA 0.132 4.667 4.527 0.014 0.000 0.320 357 F C -1.583 174.029 175.800 -0.315 0.000 1.115 357 F CA -0.812 57.068 58.000 -0.200 0.000 1.053 357 F CB 1.579 40.411 39.000 -0.280 0.000 1.297 357 F HN 0.300 nan 8.300 nan 0.000 0.471 358 Q N 5.647 124.872 119.800 -0.959 0.000 2.331 358 Q HA 0.201 4.549 4.340 0.014 0.000 0.257 358 Q C -1.171 174.376 176.000 -0.755 0.000 0.957 358 Q CA -0.267 55.156 55.803 -0.634 0.000 0.923 358 Q CB 1.000 29.496 28.738 -0.404 0.000 1.212 358 Q HN 0.695 nan 8.270 nan 0.000 0.443 359 Y N 3.120 123.352 120.300 -0.113 0.000 2.734 359 Y HA 0.027 4.586 4.550 0.014 0.000 0.353 359 Y C 0.829 176.711 175.900 -0.029 0.000 1.244 359 Y CA -0.079 58.037 58.100 0.027 0.000 1.950 359 Y CB 0.081 38.625 38.460 0.140 0.000 2.028 359 Y HN 0.440 nan 8.280 nan 0.000 0.421 360 Q N 0.082 119.867 119.800 -0.024 0.000 2.687 360 Q HA 0.546 4.895 4.340 0.014 0.000 0.295 360 Q C -2.022 173.933 176.000 -0.074 0.000 0.920 360 Q CA -1.301 54.487 55.803 -0.025 0.000 0.766 360 Q CB 2.125 30.843 28.738 -0.033 0.000 1.467 360 Q HN 0.298 nan 8.270 nan 0.000 0.415 361 N N -0.553 118.112 118.700 -0.059 0.000 2.745 361 N HA 0.559 5.307 4.740 0.014 0.000 0.256 361 N C -2.274 173.187 175.510 -0.082 0.000 1.268 361 N CA -0.490 52.523 53.050 -0.063 0.000 0.887 361 N CB 2.354 40.818 38.487 -0.037 0.000 1.575 361 N HN 0.622 nan 8.380 nan 0.000 0.496 362 R N 2.602 123.053 120.500 -0.081 0.000 2.532 362 R HA 0.528 4.876 4.340 0.014 0.000 0.297 362 R C -1.030 175.328 176.300 0.098 0.000 0.984 362 R CA -0.593 55.425 56.100 -0.137 0.000 0.884 362 R CB 0.630 30.776 30.300 -0.257 0.000 1.182 362 R HN 0.546 nan 8.270 nan 0.000 0.442 363 I N 3.705 124.514 120.570 0.399 0.000 2.587 363 I HA 0.186 4.365 4.170 0.014 0.000 0.284 363 I C 0.556 176.869 176.117 0.326 0.000 1.134 363 I CA 0.006 61.512 61.300 0.343 0.000 1.410 363 I CB 0.424 38.673 38.000 0.415 0.000 1.392 363 I HN 0.706 nan 8.210 nan 0.000 0.545 364 A N 4.914 127.795 122.820 0.101 0.000 2.363 364 A HA 0.240 4.568 4.320 0.014 0.000 0.270 364 A C 1.348 178.835 177.584 -0.162 0.000 1.121 364 A CA -0.061 51.934 52.037 -0.070 0.000 0.800 364 A CB 0.654 19.399 19.000 -0.424 0.000 1.052 364 A HN 0.821 nan 8.150 nan 0.000 0.493 365 S N 1.363 116.981 115.700 -0.136 0.000 2.374 365 S HA -0.204 4.275 4.470 0.014 0.000 0.227 365 S C 1.579 176.036 174.600 -0.239 0.000 1.037 365 S CA 2.397 60.422 58.200 -0.292 0.000 1.024 365 S CB -0.351 62.832 63.200 -0.027 0.000 0.861 365 S HN 0.796 nan 8.310 nan 0.000 0.456 366 E N 0.067 120.152 120.200 -0.192 0.000 2.150 366 E HA -0.021 4.337 4.350 0.014 0.000 0.193 366 E C 1.588 178.082 176.600 -0.176 0.000 0.985 366 E CA 0.941 57.246 56.400 -0.159 0.000 0.814 366 E CB -0.334 29.270 29.700 -0.160 0.000 0.752 366 E HN 0.600 nan 8.360 nan 0.000 0.466 367 F N 1.985 121.544 119.950 -0.651 0.000 2.134 367 F HA -0.152 4.383 4.527 0.013 0.000 0.299 367 F C 1.929 177.510 175.800 -0.365 0.000 1.097 367 F CA 1.227 58.949 58.000 -0.463 0.000 1.264 367 F CB -0.427 38.216 39.000 -0.595 0.000 1.001 367 F HN 0.021 nan 8.300 nan 0.000 0.479 368 N N -0.031 118.193 118.700 -0.793 0.000 2.084 368 N HA -0.166 4.582 4.740 0.014 0.000 0.190 368 N C 1.703 176.832 175.510 -0.635 0.000 1.030 368 N CA 2.187 54.338 53.050 -1.498 0.000 0.849 368 N CB -0.533 37.177 38.487 -1.295 0.000 1.012 368 N HN 0.288 nan 8.380 nan 0.000 0.423 369 T N 1.893 116.227 114.554 -0.366 0.000 2.708 369 T HA -0.129 4.229 4.350 0.014 0.000 0.266 369 T C 1.915 176.600 174.700 -0.023 0.000 1.037 369 T CA 1.609 63.554 62.100 -0.259 0.000 1.146 369 T CB -0.321 68.453 68.868 -0.156 0.000 0.865 369 T HN 0.414 nan 8.240 nan 0.000 0.435 370 L N -1.256 119.974 121.223 0.013 0.000 2.275 370 L HA 0.169 4.517 4.340 0.014 0.000 0.215 370 L C 1.857 178.776 176.870 0.082 0.000 1.119 370 L CA 1.414 56.323 54.840 0.115 0.000 0.790 370 L CB -1.116 41.017 42.059 0.124 0.000 0.919 370 L HN 0.133 nan 8.230 nan 0.000 0.443 371 Y N 0.145 120.284 120.300 -0.268 0.000 2.471 371 Y HA 0.152 4.711 4.550 0.015 0.000 0.286 371 Y C 0.806 176.308 175.900 -0.663 0.000 1.188 371 Y CA -0.133 57.484 58.100 -0.806 0.000 1.286 371 Y CB -0.220 37.773 38.460 -0.778 0.000 1.072 371 Y HN 0.278 nan 8.280 nan 0.000 0.517 372 H N 0.051 119.038 119.070 -0.139 0.000 3.198 372 H HA -0.079 4.486 4.556 0.014 0.000 0.255 372 H C -0.526 174.942 175.328 0.234 0.000 1.729 372 H CA -0.102 55.955 56.048 0.014 0.000 1.495 372 H CB -0.310 29.561 29.762 0.181 0.000 1.807 372 H HN 0.400 nan 8.280 nan 0.000 0.554 373 W N 1.782 123.057 121.300 -0.041 0.000 2.960 373 W HA 0.126 4.795 4.660 0.014 0.000 0.442 373 W C 0.787 177.326 176.519 0.033 0.000 0.774 373 W CA -0.978 56.398 57.345 0.051 0.000 2.207 373 W CB -1.075 28.454 29.460 0.114 0.000 1.159 373 W HN 0.665 nan 8.180 nan 0.000 0.845 374 H N 0.388 119.699 119.070 0.403 0.000 2.489 374 H HA -0.094 4.470 4.556 0.014 0.000 0.293 374 H C -0.554 174.931 175.328 0.262 0.000 1.066 374 H CA 1.371 57.605 56.048 0.310 0.000 1.305 374 H CB -1.101 28.829 29.762 0.281 0.000 1.386 374 H HN -0.006 nan 8.280 nan 0.000 0.551 375 P HA -0.138 nan 4.420 nan 0.000 0.226 375 P C 1.013 178.428 177.300 0.190 0.000 1.146 375 P CA 0.998 64.224 63.100 0.210 0.000 0.773 375 P CB -0.006 31.768 31.700 0.125 0.000 0.772 376 L N -1.790 119.562 121.223 0.215 0.000 2.191 376 L HA -0.104 4.244 4.340 0.014 0.000 0.212 376 L C 1.140 178.119 176.870 0.182 0.000 1.103 376 L CA 0.535 55.487 54.840 0.187 0.000 0.769 376 L CB -0.639 41.556 42.059 0.226 0.000 0.908 376 L HN 0.007 nan 8.230 nan 0.000 0.438 377 L N 1.365 122.719 121.223 0.219 0.000 2.416 377 L HA 0.146 4.494 4.340 0.014 0.000 0.272 377 L C -1.867 175.070 176.870 0.113 0.000 1.161 377 L CA -1.636 53.305 54.840 0.169 0.000 0.845 377 L CB 0.036 42.336 42.059 0.402 0.000 1.119 377 L HN -0.120 nan 8.230 nan 0.000 0.464 378 P HA 0.123 nan 4.420 nan 0.000 0.279 378 P C -0.447 176.632 177.300 -0.369 0.000 1.276 378 P CA -0.459 62.364 63.100 -0.462 0.000 0.801 378 P CB 1.113 32.404 31.700 -0.682 0.000 1.127 379 D N -1.160 119.012 120.400 -0.380 0.000 2.183 379 D HA -0.018 4.631 4.640 0.014 0.000 0.203 379 D C 0.852 177.054 176.300 -0.163 0.000 0.969 379 D CA 1.602 55.528 54.000 -0.125 0.000 0.842 379 D CB -0.047 40.681 40.800 -0.121 0.000 0.957 379 D HN 0.531 nan 8.370 nan 0.000 0.484 380 T N -2.338 111.977 114.554 -0.398 0.000 2.896 380 T HA 0.567 4.925 4.350 0.014 0.000 0.297 380 T C -0.733 173.576 174.700 -0.652 0.000 1.108 380 T CA -0.921 60.947 62.100 -0.386 0.000 1.004 380 T CB 1.354 70.122 68.868 -0.167 0.000 1.159 380 T HN -0.220 nan 8.240 nan 0.000 0.499 381 F N 2.097 121.874 119.950 -0.288 0.000 2.391 381 F HA 0.454 4.989 4.527 0.014 0.000 0.359 381 F C 0.450 176.183 175.800 -0.111 0.000 1.122 381 F CA -1.026 56.779 58.000 -0.326 0.000 1.120 381 F CB 0.888 39.303 39.000 -0.975 0.000 1.142 381 F HN 0.425 nan 8.300 nan 0.000 0.483 382 N N 5.388 124.115 118.700 0.045 0.000 2.485 382 N HA 0.424 5.173 4.740 0.014 0.000 0.243 382 N C -0.822 174.624 175.510 -0.108 0.000 0.987 382 N CA -0.202 52.826 53.050 -0.037 0.000 0.940 382 N CB 1.368 39.811 38.487 -0.074 0.000 1.122 382 N HN 0.498 nan 8.380 nan 0.000 0.509 383 I N 1.306 121.769 120.570 -0.178 0.000 2.382 383 I HA 0.154 4.333 4.170 0.014 0.000 0.286 383 I C 0.971 176.884 176.117 -0.340 0.000 1.002 383 I CA -0.318 60.723 61.300 -0.432 0.000 1.135 383 I CB 0.988 38.525 38.000 -0.770 0.000 1.288 383 I HN 0.484 nan 8.210 nan 0.000 0.448 384 E N 2.899 122.960 120.200 -0.232 0.000 3.213 384 E HA -0.299 4.059 4.350 0.014 0.000 0.374 384 E C 0.056 176.620 176.600 -0.059 0.000 1.500 384 E CA 1.900 58.250 56.400 -0.084 0.000 1.497 384 E CB -0.462 29.261 29.700 0.039 0.000 1.692 384 E HN 0.733 nan 8.360 nan 0.000 0.494 385 D N 0.684 121.077 120.400 -0.012 0.000 2.350 385 D HA 0.029 4.677 4.640 0.014 0.000 0.213 385 D C 0.111 176.364 176.300 -0.077 0.000 1.031 385 D CA 0.588 54.571 54.000 -0.029 0.000 0.861 385 D CB 0.160 40.961 40.800 0.002 0.000 0.926 385 D HN 0.082 nan 8.370 nan 0.000 0.520 386 Q N 0.568 120.298 119.800 -0.116 0.000 2.227 386 Q HA 0.352 4.701 4.340 0.014 0.000 0.245 386 Q C -0.214 175.569 176.000 -0.363 0.000 0.926 386 Q CA 0.099 55.716 55.803 -0.311 0.000 0.895 386 Q CB 1.615 30.058 28.738 -0.492 0.000 1.230 386 Q HN 0.123 nan 8.270 nan 0.000 0.450 387 E N 1.958 121.901 120.200 -0.428 0.000 2.331 387 E HA 0.247 4.605 4.350 0.014 0.000 0.243 387 E C -1.165 175.276 176.600 -0.265 0.000 0.925 387 E CA -0.257 55.983 56.400 -0.267 0.000 0.760 387 E CB 0.869 30.473 29.700 -0.160 0.000 1.254 387 E HN 0.389 nan 8.360 nan 0.000 0.419 388 Y N 1.029 121.363 120.300 0.057 0.000 2.304 388 Y HA 0.129 4.688 4.550 0.014 0.000 0.328 388 Y C 1.238 177.234 175.900 0.161 0.000 1.123 388 Y CA -0.596 57.591 58.100 0.145 0.000 1.218 388 Y CB 1.050 39.664 38.460 0.258 0.000 1.207 388 Y HN 0.336 nan 8.280 nan 0.000 0.495 389 S N 1.509 117.408 115.700 0.332 0.000 2.614 389 S HA 0.165 4.643 4.470 0.014 0.000 0.265 389 S C 0.807 175.673 174.600 0.444 0.000 1.303 389 S CA -0.570 57.825 58.200 0.326 0.000 1.000 389 S CB 0.382 63.741 63.200 0.266 0.000 0.935 389 S HN 0.573 nan 8.310 nan 0.000 0.551 390 F N 1.147 121.307 119.950 0.349 0.000 2.091 390 F HA -0.074 4.462 4.527 0.014 0.000 0.299 390 F C 2.710 178.664 175.800 0.257 0.000 1.103 390 F CA 1.900 60.128 58.000 0.380 0.000 1.228 390 F CB -0.384 38.786 39.000 0.284 0.000 0.984 390 F HN 0.576 nan 8.300 nan 0.000 0.477 391 K N 0.616 121.260 120.400 0.407 0.000 2.074 391 K HA -0.231 4.098 4.320 0.014 0.000 0.209 391 K C 1.890 178.642 176.600 0.253 0.000 1.048 391 K CA 1.973 58.430 56.287 0.283 0.000 0.926 391 K CB -0.432 32.206 32.500 0.230 0.000 0.713 391 K HN 0.464 nan 8.250 nan 0.000 0.444 392 Q N -1.609 118.364 119.800 0.287 0.000 2.269 392 Q HA -0.069 4.279 4.340 0.014 0.000 0.201 392 Q C 1.946 178.080 176.000 0.224 0.000 0.946 392 Q CA 0.711 56.680 55.803 0.277 0.000 0.877 392 Q CB -0.083 28.884 28.738 0.381 0.000 0.963 392 Q HN 0.175 nan 8.270 nan 0.000 0.472 393 F N 1.438 121.405 119.950 0.028 0.000 2.187 393 F HA 0.075 4.610 4.527 0.014 0.000 0.295 393 F C 0.836 176.493 175.800 -0.238 0.000 1.091 393 F CA 0.258 58.152 58.000 -0.177 0.000 1.308 393 F CB 0.177 38.952 39.000 -0.374 0.000 1.030 393 F HN -0.113 nan 8.300 nan 0.000 0.487 394 L N 1.232 122.342 121.223 -0.189 0.000 2.485 394 L HA -0.103 4.245 4.340 0.014 0.000 0.275 394 L C 0.361 176.908 176.870 -0.539 0.000 1.207 394 L CA -0.052 54.442 54.840 -0.577 0.000 0.855 394 L CB -0.572 40.960 42.059 -0.878 0.000 1.114 394 L HN 0.474 nan 8.230 nan 0.000 0.485 395 Y N 0.523 120.786 120.300 -0.062 0.000 3.875 395 Y HA -0.288 4.270 4.550 0.014 0.000 0.216 395 Y C 0.536 176.394 175.900 -0.070 0.000 1.148 395 Y CA 0.208 58.292 58.100 -0.027 0.000 1.629 395 Y CB -2.045 36.435 38.460 0.033 0.000 1.506 395 Y HN 0.649 nan 8.280 nan 0.000 0.629 396 N N 1.355 119.993 118.700 -0.103 0.000 2.898 396 N HA 0.204 4.952 4.740 0.014 0.000 0.245 396 N C 0.330 175.711 175.510 -0.215 0.000 1.185 396 N CA -0.303 52.672 53.050 -0.126 0.000 0.879 396 N CB 0.187 38.600 38.487 -0.122 0.000 1.157 396 N HN 0.241 nan 8.380 nan 0.000 0.503 397 N N 0.007 118.585 118.700 -0.203 0.000 2.512 397 N HA -0.059 4.690 4.740 0.014 0.000 0.183 397 N C 1.118 176.496 175.510 -0.220 0.000 1.073 397 N CA 0.431 53.335 53.050 -0.243 0.000 0.911 397 N CB 0.254 38.508 38.487 -0.387 0.000 0.964 397 N HN 0.411 nan 8.380 nan 0.000 0.447 398 S N 0.883 116.473 115.700 -0.183 0.000 2.399 398 S HA -0.028 4.450 4.470 0.014 0.000 0.231 398 S C 2.020 176.573 174.600 -0.078 0.000 1.022 398 S CA 0.582 58.703 58.200 -0.132 0.000 0.983 398 S CB -0.184 62.963 63.200 -0.088 0.000 0.803 398 S HN 0.314 nan 8.310 nan 0.000 0.480 399 I N 0.924 121.454 120.570 -0.067 0.000 2.252 399 I HA -0.140 4.038 4.170 0.014 0.000 0.245 399 I C 2.381 178.650 176.117 0.252 0.000 1.102 399 I CA 0.798 62.138 61.300 0.066 0.000 1.385 399 I CB -0.356 37.581 38.000 -0.105 0.000 1.064 399 I HN 0.239 nan 8.210 nan 0.000 0.414 400 L N 0.817 122.038 121.223 -0.003 0.000 2.017 400 L HA -0.168 4.180 4.340 0.014 0.000 0.208 400 L C 2.286 179.087 176.870 -0.116 0.000 1.073 400 L CA 1.850 56.505 54.840 -0.307 0.000 0.745 400 L CB -0.501 41.292 42.059 -0.445 0.000 0.894 400 L HN 0.128 nan 8.230 nan 0.000 0.432 401 L N -0.654 120.489 121.223 -0.133 0.000 2.083 401 L HA -0.194 4.155 4.340 0.014 0.000 0.209 401 L C 2.534 179.377 176.870 -0.044 0.000 1.083 401 L CA 1.422 56.175 54.840 -0.144 0.000 0.752 401 L CB -0.553 41.389 42.059 -0.194 0.000 0.899 401 L HN 0.403 nan 8.230 nan 0.000 0.433 402 E N -0.051 120.122 120.200 -0.045 0.000 2.017 402 E HA -0.234 4.125 4.350 0.014 0.000 0.193 402 E C 2.119 178.634 176.600 -0.142 0.000 0.997 402 E CA 1.682 58.004 56.400 -0.130 0.000 0.804 402 E CB -0.023 29.546 29.700 -0.218 0.000 0.757 402 E HN 0.473 nan 8.360 nan 0.000 0.448 403 H N -0.816 118.346 119.070 0.153 0.000 2.520 403 H HA 0.279 4.843 4.556 0.014 0.000 0.279 403 H C 1.048 176.470 175.328 0.157 0.000 0.990 403 H CA 0.704 56.858 56.048 0.177 0.000 1.288 403 H CB 0.420 30.336 29.762 0.257 0.000 1.446 403 H HN 0.317 nan 8.280 nan 0.000 0.538 404 G N 1.161 110.106 108.800 0.242 0.000 2.758 404 G HA2 -0.224 3.744 3.960 0.014 0.000 0.686 404 G HA3 -0.224 3.744 3.960 0.014 0.000 0.686 404 G C 0.578 175.549 174.900 0.118 0.000 1.389 404 G CA -0.201 44.993 45.100 0.157 0.000 0.845 404 G HN 0.144 nan 8.290 nan 0.000 0.572 405 L N 0.831 122.061 121.223 0.012 0.000 2.042 405 L HA -0.104 4.244 4.340 0.014 0.000 0.210 405 L C 3.234 180.123 176.870 0.032 0.000 1.076 405 L CA 3.076 57.889 54.840 -0.044 0.000 0.749 405 L CB -1.787 40.193 42.059 -0.133 0.000 0.893 405 L HN 0.873 nan 8.230 nan 0.000 0.432 406 T N -0.978 113.591 114.554 0.025 0.000 2.684 406 T HA -0.270 4.088 4.350 0.014 0.000 0.267 406 T C 1.814 176.548 174.700 0.056 0.000 1.036 406 T CA 1.684 63.800 62.100 0.026 0.000 1.148 406 T CB -0.128 68.750 68.868 0.018 0.000 0.863 406 T HN 0.191 nan 8.240 nan 0.000 0.436 407 Q N 0.042 119.899 119.800 0.096 0.000 2.119 407 Q HA 0.010 4.358 4.340 0.014 0.000 0.201 407 Q C 1.819 177.820 176.000 0.003 0.000 0.972 407 Q CA 1.350 57.198 55.803 0.074 0.000 0.847 407 Q CB -0.621 28.202 28.738 0.141 0.000 0.903 407 Q HN 0.482 nan 8.270 nan 0.000 0.433 408 F N -0.852 118.999 119.950 -0.165 0.000 2.095 408 F HA -0.205 4.331 4.527 0.014 0.000 0.298 408 F C 2.192 177.846 175.800 -0.244 0.000 1.104 408 F CA 1.249 59.042 58.000 -0.345 0.000 1.232 408 F CB -0.650 38.209 39.000 -0.234 0.000 0.987 408 F HN -0.052 nan 8.300 nan 0.000 0.475 409 V N -0.248 119.719 119.914 0.089 0.000 2.295 409 V HA -0.287 3.842 4.120 0.014 0.000 0.246 409 V C 2.173 178.312 176.094 0.076 0.000 1.049 409 V CA 2.096 64.447 62.300 0.084 0.000 1.024 409 V CB -0.617 31.221 31.823 0.025 0.000 0.648 409 V HN 0.316 nan 8.190 nan 0.000 0.447 410 E N 0.043 120.265 120.200 0.036 0.000 2.051 410 E HA -0.183 4.176 4.350 0.014 0.000 0.192 410 E C 2.418 179.035 176.600 0.027 0.000 0.991 410 E CA 1.708 58.134 56.400 0.044 0.000 0.799 410 E CB -0.213 29.503 29.700 0.026 0.000 0.748 410 E HN 0.530 nan 8.360 nan 0.000 0.449 411 S N 0.369 116.027 115.700 -0.070 0.000 2.355 411 S HA -0.087 4.391 4.470 0.014 0.000 0.222 411 S C 1.624 176.263 174.600 0.063 0.000 1.031 411 S CA 0.775 58.910 58.200 -0.108 0.000 0.993 411 S CB -0.214 62.776 63.200 -0.350 0.000 0.859 411 S HN 0.169 nan 8.310 nan 0.000 0.453 412 F N 2.310 122.279 119.950 0.031 0.000 2.365 412 F HA -0.003 4.532 4.527 0.014 0.000 0.300 412 F C 2.594 178.472 175.800 0.131 0.000 1.090 412 F CA 0.481 58.547 58.000 0.109 0.000 1.408 412 F CB -1.592 37.528 39.000 0.200 0.000 1.060 412 F HN 0.157 nan 8.300 nan 0.000 0.534 413 T N -0.747 113.980 114.554 0.289 0.000 2.951 413 T HA -0.087 4.272 4.350 0.014 0.000 0.268 413 T C 2.100 176.906 174.700 0.176 0.000 1.073 413 T CA 0.882 63.111 62.100 0.216 0.000 1.134 413 T CB -0.036 68.945 68.868 0.189 0.000 0.884 413 T HN 0.218 nan 8.240 nan 0.000 0.479 414 R N 0.581 121.170 120.500 0.148 0.000 2.210 414 R HA 0.171 4.519 4.340 0.014 0.000 0.203 414 R C 1.276 177.630 176.300 0.091 0.000 1.010 414 R CA 0.140 56.299 56.100 0.097 0.000 1.008 414 R CB 0.180 30.514 30.300 0.057 0.000 0.923 414 R HN 0.378 nan 8.270 nan 0.000 0.469 415 Q N 1.750 121.626 119.800 0.128 0.000 2.294 415 Q HA 0.199 4.547 4.340 0.014 0.000 0.257 415 Q C -0.708 175.345 176.000 0.088 0.000 0.955 415 Q CA -0.226 55.632 55.803 0.092 0.000 0.936 415 Q CB 0.959 29.767 28.738 0.117 0.000 1.188 415 Q HN 0.118 nan 8.270 nan 0.000 0.420 416 I N 3.238 123.852 120.570 0.074 0.000 2.638 416 I HA 0.341 4.519 4.170 0.014 0.000 0.286 416 I C -0.378 175.837 176.117 0.165 0.000 1.088 416 I CA 0.079 61.446 61.300 0.111 0.000 1.397 416 I CB 0.899 38.977 38.000 0.130 0.000 1.414 416 I HN 0.824 nan 8.210 nan 0.000 0.566 417 A N 5.177 128.093 122.820 0.159 0.000 2.269 417 A HA 0.727 5.055 4.320 0.014 0.000 0.319 417 A C 0.164 177.880 177.584 0.221 0.000 1.110 417 A CA -0.166 51.986 52.037 0.190 0.000 0.847 417 A CB 0.557 19.633 19.000 0.126 0.000 1.161 417 A HN 0.859 nan 8.150 nan 0.000 0.497 418 G N -0.269 108.666 108.800 0.224 0.000 2.503 418 G HA2 0.450 4.419 3.960 0.014 0.000 0.257 418 G HA3 0.450 4.419 3.960 0.014 0.000 0.257 418 G C 0.196 175.002 174.900 -0.158 0.000 1.214 418 G CA -0.549 44.495 45.100 -0.094 0.000 0.839 418 G HN 0.871 nan 8.290 nan 0.000 0.559 419 R N 0.846 121.185 120.500 -0.270 0.000 2.590 419 R HA 0.222 4.570 4.340 0.014 0.000 0.274 419 R C 0.791 176.993 176.300 -0.164 0.000 1.061 419 R CA -0.455 55.501 56.100 -0.240 0.000 1.081 419 R CB 0.832 30.986 30.300 -0.244 0.000 0.984 419 R HN 0.264 nan 8.270 nan 0.000 0.448 420 V N 3.468 123.279 119.914 -0.172 0.000 2.403 420 V HA 0.098 4.226 4.120 0.014 0.000 0.239 420 V C 1.005 177.078 176.094 -0.034 0.000 1.041 420 V CA 1.420 63.679 62.300 -0.069 0.000 1.051 420 V CB -0.370 31.412 31.823 -0.067 0.000 0.704 420 V HN 0.917 nan 8.190 nan 0.000 0.472 421 A N -0.506 122.301 122.820 -0.022 0.000 2.267 421 A HA 0.523 4.851 4.320 0.014 0.000 0.271 421 A C 1.525 179.072 177.584 -0.063 0.000 1.131 421 A CA 0.604 52.625 52.037 -0.027 0.000 0.818 421 A CB -0.269 18.736 19.000 0.008 0.000 1.118 421 A HN 1.411 nan 8.150 nan 0.000 0.501 422 G N -2.095 106.669 108.800 -0.060 0.000 2.213 422 G HA2 0.364 4.332 3.960 0.014 0.000 0.236 422 G HA3 0.364 4.332 3.960 0.014 0.000 0.236 422 G C 1.596 176.459 174.900 -0.062 0.000 0.991 422 G CA 0.625 45.685 45.100 -0.066 0.000 0.629 422 G HN 3.079 nan 8.290 nan 0.000 0.517 423 G N -0.620 108.145 108.800 -0.059 0.000 2.690 423 G HA2 0.322 4.290 3.960 0.014 0.000 0.686 423 G HA3 0.322 4.290 3.960 0.014 0.000 0.686 423 G C 0.217 175.092 174.900 -0.042 0.000 1.277 423 G CA 0.276 45.346 45.100 -0.049 0.000 0.799 423 G HN 1.654 nan 8.290 nan 0.000 0.613 424 R N -0.737 119.748 120.500 -0.026 0.000 3.225 424 R HA -0.229 4.120 4.340 0.014 0.000 0.245 424 R C 0.481 176.773 176.300 -0.013 0.000 0.928 424 R CA 1.081 57.172 56.100 -0.014 0.000 0.632 424 R CB -1.122 29.167 30.300 -0.017 0.000 1.038 424 R HN 0.668 nan 8.270 nan 0.000 0.461 425 N N -0.600 118.099 118.700 -0.002 0.000 2.232 425 N HA 0.093 4.842 4.740 0.014 0.000 0.240 425 N C -0.919 174.633 175.510 0.069 0.000 1.307 425 N CA -0.049 53.006 53.050 0.007 0.000 0.859 425 N CB 1.158 39.613 38.487 -0.053 0.000 1.260 425 N HN 0.062 nan 8.380 nan 0.000 0.501 426 V N 2.795 122.756 119.914 0.079 0.000 2.455 426 V HA 0.342 4.470 4.120 0.014 0.000 0.273 426 V C -1.994 174.154 176.094 0.091 0.000 1.045 426 V CA -1.361 61.010 62.300 0.119 0.000 0.976 426 V CB 0.974 32.870 31.823 0.121 0.000 0.993 426 V HN 0.117 nan 8.190 nan 0.000 0.475 427 P HA 0.181 nan 4.420 nan 0.000 0.268 427 P C 1.013 178.278 177.300 -0.058 0.000 1.204 427 P CA 0.103 63.224 63.100 0.035 0.000 0.768 427 P CB 0.667 32.397 31.700 0.050 0.000 0.842 428 I N 2.275 122.801 120.570 -0.073 0.000 2.361 428 I HA -0.275 3.903 4.170 0.014 0.000 0.251 428 I C 2.168 178.192 176.117 -0.156 0.000 1.133 428 I CA 1.529 62.781 61.300 -0.080 0.000 1.413 428 I CB -0.486 37.484 38.000 -0.049 0.000 1.073 428 I HN 0.383 nan 8.210 nan 0.000 0.424 429 A N -0.408 122.221 122.820 -0.317 0.000 2.076 429 A HA -0.144 4.184 4.320 0.014 0.000 0.220 429 A C 2.036 179.421 177.584 -0.332 0.000 1.160 429 A CA 1.560 53.321 52.037 -0.459 0.000 0.653 429 A CB -0.359 17.928 19.000 -1.188 0.000 0.801 429 A HN 0.311 nan 8.150 nan 0.000 0.455 430 V N 0.337 120.096 119.914 -0.258 0.000 3.078 430 V HA 0.027 4.156 4.120 0.014 0.000 0.344 430 V C 1.727 177.762 176.094 -0.098 0.000 1.409 430 V CA 0.577 62.783 62.300 -0.156 0.000 1.146 430 V CB -0.047 31.697 31.823 -0.132 0.000 1.126 430 V HN 0.871 nan 8.190 nan 0.000 0.513 431 Q N 0.502 120.260 119.800 -0.070 0.000 2.170 431 Q HA -0.111 4.237 4.340 0.014 0.000 0.203 431 Q C 1.928 177.916 176.000 -0.020 0.000 0.976 431 Q CA 1.989 57.776 55.803 -0.026 0.000 0.858 431 Q CB -0.347 28.379 28.738 -0.020 0.000 0.907 431 Q HN 0.550 nan 8.270 nan 0.000 0.433 432 A N 1.050 123.850 122.820 -0.033 0.000 1.969 432 A HA -0.067 4.262 4.320 0.014 0.000 0.218 432 A C 2.296 179.858 177.584 -0.036 0.000 1.169 432 A CA 1.341 53.361 52.037 -0.027 0.000 0.635 432 A CB -0.574 18.412 19.000 -0.023 0.000 0.810 432 A HN 0.261 nan 8.150 nan 0.000 0.445 433 V N -0.211 119.668 119.914 -0.059 0.000 2.358 433 V HA -0.207 3.921 4.120 0.014 0.000 0.246 433 V C 3.024 179.096 176.094 -0.037 0.000 1.047 433 V CA 1.820 64.077 62.300 -0.071 0.000 1.035 433 V CB -1.258 30.438 31.823 -0.212 0.000 0.658 433 V HN 0.586 nan 8.190 nan 0.000 0.452 434 A N -0.303 122.522 122.820 0.008 0.000 1.933 434 A HA -0.244 4.084 4.320 0.014 0.000 0.218 434 A C 2.361 179.978 177.584 0.056 0.000 1.175 434 A CA 2.099 54.206 52.037 0.116 0.000 0.628 434 A CB -0.459 18.655 19.000 0.191 0.000 0.814 434 A HN 0.500 nan 8.150 nan 0.000 0.444 435 K N -0.372 120.041 120.400 0.021 0.000 2.057 435 K HA -0.051 4.278 4.320 0.014 0.000 0.206 435 K C 2.150 178.720 176.600 -0.051 0.000 1.050 435 K CA 1.063 57.353 56.287 0.006 0.000 0.935 435 K CB -0.287 32.214 32.500 0.001 0.000 0.715 435 K HN 0.375 nan 8.250 nan 0.000 0.439 436 A N 0.582 123.357 122.820 -0.076 0.000 1.933 436 A HA -0.124 4.204 4.320 0.014 0.000 0.218 436 A C 2.110 179.566 177.584 -0.212 0.000 1.175 436 A CA 1.929 53.902 52.037 -0.107 0.000 0.628 436 A CB -0.488 18.467 19.000 -0.074 0.000 0.814 436 A HN 0.330 nan 8.150 nan 0.000 0.444 437 S N -0.079 115.413 115.700 -0.346 0.000 2.368 437 S HA -0.117 4.362 4.470 0.014 0.000 0.225 437 S C 1.790 176.030 174.600 -0.601 0.000 1.030 437 S CA 1.490 59.260 58.200 -0.716 0.000 0.999 437 S CB -0.467 61.910 63.200 -1.370 0.000 0.844 437 S HN 0.570 nan 8.310 nan 0.000 0.459 438 I N 1.693 122.070 120.570 -0.321 0.000 2.163 438 I HA -0.178 4.001 4.170 0.014 0.000 0.240 438 I C 2.023 178.070 176.117 -0.116 0.000 1.081 438 I CA 1.204 62.450 61.300 -0.091 0.000 1.353 438 I CB -0.437 37.607 38.000 0.073 0.000 1.054 438 I HN 0.168 nan 8.210 nan 0.000 0.407 439 D N 0.465 120.802 120.400 -0.105 0.000 2.144 439 D HA -0.177 4.471 4.640 0.014 0.000 0.200 439 D C 2.235 178.471 176.300 -0.106 0.000 0.978 439 D CA 1.223 55.177 54.000 -0.077 0.000 0.833 439 D CB -0.193 40.575 40.800 -0.053 0.000 0.961 439 D HN 0.439 nan 8.370 nan 0.000 0.470 440 Q N 0.074 119.776 119.800 -0.163 0.000 2.187 440 Q HA 0.007 4.356 4.340 0.014 0.000 0.199 440 Q C 2.252 178.090 176.000 -0.270 0.000 0.957 440 Q CA 0.557 56.258 55.803 -0.169 0.000 0.857 440 Q CB 0.173 28.814 28.738 -0.163 0.000 0.929 440 Q HN 0.053 nan 8.270 nan 0.000 0.453 441 S N 0.740 116.189 115.700 -0.417 0.000 2.359 441 S HA -0.170 4.308 4.470 0.014 0.000 0.224 441 S C 1.777 176.169 174.600 -0.347 0.000 1.035 441 S CA 1.247 59.027 58.200 -0.699 0.000 1.018 441 S CB -0.108 62.703 63.200 -0.648 0.000 0.876 441 S HN 0.330 nan 8.310 nan 0.000 0.448 442 R N 0.852 121.262 120.500 -0.151 0.000 2.092 442 R HA 0.006 4.355 4.340 0.014 0.000 0.231 442 R C 2.432 178.733 176.300 0.001 0.000 1.119 442 R CA 1.061 57.147 56.100 -0.023 0.000 0.970 442 R CB -0.242 30.058 30.300 0.001 0.000 0.864 442 R HN 0.473 nan 8.270 nan 0.000 0.440 443 E N 0.779 120.963 120.200 -0.027 0.000 2.118 443 E HA -0.171 4.187 4.350 0.014 0.000 0.195 443 E C 1.486 178.112 176.600 0.045 0.000 0.992 443 E CA 1.131 57.538 56.400 0.011 0.000 0.804 443 E CB 0.107 29.807 29.700 -0.000 0.000 0.741 443 E HN 0.290 nan 8.360 nan 0.000 0.458 444 M N 0.275 119.892 119.600 0.029 0.000 2.563 444 M HA 0.027 4.515 4.480 0.014 0.000 0.231 444 M C -0.365 176.062 176.300 0.210 0.000 1.136 444 M CA 0.200 55.569 55.300 0.115 0.000 1.026 444 M CB 0.571 33.250 32.600 0.132 0.000 1.597 444 M HN -0.175 nan 8.290 nan 0.000 0.495 445 K N -0.156 120.344 120.400 0.166 0.000 3.150 445 K HA -0.193 4.136 4.320 0.014 0.000 0.267 445 K C -1.268 175.496 176.600 0.274 0.000 1.028 445 K CA 0.672 57.063 56.287 0.174 0.000 0.753 445 K CB -2.621 29.949 32.500 0.116 0.000 1.288 445 K HN 0.294 nan 8.250 nan 0.000 0.473 446 Y N 1.277 121.630 120.300 0.089 0.000 2.610 446 Y HA -0.009 4.549 4.550 0.013 0.000 0.332 446 Y C 1.851 177.858 175.900 0.178 0.000 1.201 446 Y CA -0.027 58.174 58.100 0.168 0.000 1.465 446 Y CB 0.474 39.027 38.460 0.155 0.000 1.283 446 Y HN 0.180 nan 8.280 nan 0.000 0.563 447 Q N 1.099 121.062 119.800 0.270 0.000 2.584 447 Q HA 0.202 4.550 4.340 0.014 0.000 0.218 447 Q C 0.369 176.543 176.000 0.290 0.000 1.079 447 Q CA -0.240 55.648 55.803 0.142 0.000 1.008 447 Q CB 0.402 29.063 28.738 -0.128 0.000 1.267 447 Q HN 0.793 nan 8.270 nan 0.000 0.586 448 S N -0.252 115.549 115.700 0.169 0.000 2.608 448 S HA 0.027 4.506 4.470 0.014 0.000 0.261 448 S C 0.931 175.686 174.600 0.259 0.000 1.314 448 S CA -0.612 57.698 58.200 0.184 0.000 0.992 448 S CB 0.498 63.753 63.200 0.092 0.000 0.935 448 S HN 0.648 nan 8.310 nan 0.000 0.564 449 L N 1.175 122.510 121.223 0.187 0.000 2.013 449 L HA -0.140 4.209 4.340 0.014 0.000 0.212 449 L C 1.946 178.910 176.870 0.157 0.000 1.073 449 L CA 2.080 57.028 54.840 0.179 0.000 0.753 449 L CB -1.222 40.894 42.059 0.095 0.000 0.890 449 L HN 0.724 nan 8.230 nan 0.000 0.432 450 N N -0.425 118.323 118.700 0.079 0.000 2.270 450 N HA -0.132 4.616 4.740 0.014 0.000 0.181 450 N C 1.747 177.259 175.510 0.004 0.000 1.016 450 N CA 1.038 54.100 53.050 0.020 0.000 0.870 450 N CB -0.193 38.285 38.487 -0.016 0.000 0.979 450 N HN 0.444 nan 8.380 nan 0.000 0.431 451 E N 0.083 120.281 120.200 -0.004 0.000 2.077 451 E HA -0.135 4.223 4.350 0.014 0.000 0.193 451 E C 1.743 178.276 176.600 -0.111 0.000 0.989 451 E CA 0.902 57.243 56.400 -0.099 0.000 0.800 451 E CB -0.446 29.149 29.700 -0.174 0.000 0.746 451 E HN 0.483 nan 8.360 nan 0.000 0.452 452 Y N 0.970 121.296 120.300 0.043 0.000 2.242 452 Y HA -0.102 4.456 4.550 0.013 0.000 0.291 452 Y C 2.575 178.562 175.900 0.145 0.000 1.137 452 Y CA 1.172 59.343 58.100 0.117 0.000 1.181 452 Y CB -0.107 38.414 38.460 0.103 0.000 0.989 452 Y HN -0.025 nan 8.280 nan 0.000 0.527 453 R N 0.134 120.743 120.500 0.181 0.000 2.073 453 R HA -0.180 4.168 4.340 0.014 0.000 0.234 453 R C 2.129 178.461 176.300 0.053 0.000 1.134 453 R CA 1.766 57.912 56.100 0.077 0.000 0.952 453 R CB -0.232 30.035 30.300 -0.056 0.000 0.850 453 R HN 0.254 nan 8.270 nan 0.000 0.433 454 K N -0.019 120.380 120.400 -0.002 0.000 2.057 454 K HA -0.185 4.144 4.320 0.014 0.000 0.207 454 K C 2.057 178.626 176.600 -0.052 0.000 1.049 454 K CA 1.381 57.639 56.287 -0.047 0.000 0.931 454 K CB -0.116 32.332 32.500 -0.086 0.000 0.714 454 K HN -0.080 nan 8.250 nan 0.000 0.440 455 R N 0.404 120.879 120.500 -0.041 0.000 2.152 455 R HA -0.086 4.262 4.340 0.014 0.000 0.232 455 R C 0.533 176.639 176.300 -0.323 0.000 1.117 455 R CA 1.469 57.473 56.100 -0.160 0.000 0.981 455 R CB -0.198 30.020 30.300 -0.137 0.000 0.870 455 R HN 0.127 nan 8.270 nan 0.000 0.451 456 F N 0.167 120.074 119.950 -0.072 0.000 2.772 456 F HA 0.322 4.857 4.527 0.013 0.000 0.302 456 F C 0.296 176.049 175.800 -0.078 0.000 1.136 456 F CA -0.165 57.773 58.000 -0.104 0.000 1.322 456 F CB 0.490 39.426 39.000 -0.107 0.000 0.967 456 F HN -0.097 nan 8.300 nan 0.000 0.513 457 S N 0.832 116.549 115.700 0.027 0.000 3.635 457 S HA -0.183 4.295 4.470 0.014 0.000 0.328 457 S C -0.142 174.475 174.600 0.028 0.000 1.135 457 S CA 0.300 58.517 58.200 0.029 0.000 0.942 457 S CB -2.007 61.234 63.200 0.068 0.000 0.930 457 S HN 0.309 nan 8.310 nan 0.000 0.512 458 L N 0.133 121.361 121.223 0.008 0.000 2.330 458 L HA 0.538 4.887 4.340 0.014 0.000 0.271 458 L C 0.485 177.301 176.870 -0.090 0.000 1.013 458 L CA -0.886 53.930 54.840 -0.041 0.000 0.816 458 L CB 1.095 43.117 42.059 -0.061 0.000 1.287 458 L HN -0.022 nan 8.230 nan 0.000 0.435 459 K N 1.979 122.302 120.400 -0.129 0.000 2.339 459 K HA 0.265 4.593 4.320 0.014 0.000 0.286 459 K C -2.317 174.141 176.600 -0.236 0.000 1.050 459 K CA -1.554 54.647 56.287 -0.143 0.000 0.956 459 K CB 0.866 33.298 32.500 -0.113 0.000 0.990 459 K HN 0.200 nan 8.250 nan 0.000 0.475 460 P HA -0.099 nan 4.420 nan 0.000 0.265 460 P C -1.013 176.183 177.300 -0.172 0.000 1.187 460 P CA 0.384 63.384 63.100 -0.167 0.000 0.766 460 P CB 0.222 31.869 31.700 -0.089 0.000 0.820 461 Y N 0.605 120.861 120.300 -0.074 0.000 2.425 461 Y HA 0.067 4.625 4.550 0.012 0.000 0.331 461 Y C 2.095 177.921 175.900 -0.122 0.000 1.157 461 Y CA 0.303 58.344 58.100 -0.098 0.000 1.372 461 Y CB 0.459 38.840 38.460 -0.132 0.000 1.253 461 Y HN 0.398 nan 8.280 nan 0.000 0.536 462 T N -2.500 112.106 114.554 0.085 0.000 3.040 462 T HA 0.209 4.567 4.350 0.014 0.000 0.250 462 T C 0.129 174.808 174.700 -0.035 0.000 1.058 462 T CA 0.296 62.399 62.100 0.005 0.000 0.988 462 T CB -0.066 68.811 68.868 0.017 0.000 0.993 462 T HN 0.511 nan 8.240 nan 0.000 0.519 463 S N -0.951 114.709 115.700 -0.066 0.000 2.587 463 S HA 0.565 5.043 4.470 0.014 0.000 0.269 463 S C -0.210 174.266 174.600 -0.206 0.000 1.154 463 S CA -0.937 57.199 58.200 -0.107 0.000 0.824 463 S CB 0.189 63.393 63.200 0.007 0.000 1.118 463 S HN -0.069 nan 8.310 nan 0.000 0.462 464 F N 1.077 120.996 119.950 -0.050 0.000 2.234 464 F HA 0.100 4.630 4.527 0.005 0.000 0.299 464 F C 2.529 178.253 175.800 -0.126 0.000 1.087 464 F CA 1.362 59.303 58.000 -0.098 0.000 1.340 464 F CB -0.240 38.726 39.000 -0.056 0.000 1.031 464 F HN 0.692 nan 8.300 nan 0.000 0.500 465 E N 0.005 120.254 120.200 0.081 0.000 2.150 465 E HA -0.227 4.132 4.350 0.014 0.000 0.193 465 E C 2.077 178.645 176.600 -0.053 0.000 0.985 465 E CA 0.966 57.376 56.400 0.016 0.000 0.814 465 E CB -0.199 29.519 29.700 0.031 0.000 0.752 465 E HN 0.502 nan 8.360 nan 0.000 0.466 466 E N 0.754 120.908 120.200 -0.076 0.000 2.110 466 E HA -0.204 4.154 4.350 0.014 0.000 0.193 466 E C 2.159 178.551 176.600 -0.346 0.000 0.988 466 E CA 0.567 56.910 56.400 -0.094 0.000 0.804 466 E CB 0.070 29.788 29.700 0.031 0.000 0.745 466 E HN 0.101 nan 8.360 nan 0.000 0.458 467 L N 0.704 121.567 121.223 -0.601 0.000 2.027 467 L HA -0.133 4.215 4.340 0.014 0.000 0.206 467 L C 2.479 179.087 176.870 -0.437 0.000 1.074 467 L CA 2.668 56.932 54.840 -0.961 0.000 0.745 467 L CB -0.869 40.763 42.059 -0.712 0.000 0.898 467 L HN 0.264 nan 8.230 nan 0.000 0.433 468 T N -4.169 110.252 114.554 -0.222 0.000 3.035 468 T HA 0.259 4.617 4.350 0.014 0.000 0.259 468 T C 1.580 176.230 174.700 -0.084 0.000 1.078 468 T CA 0.471 62.500 62.100 -0.119 0.000 1.132 468 T CB -0.365 68.467 68.868 -0.061 0.000 0.900 468 T HN 0.726 nan 8.240 nan 0.000 0.480 469 G N 1.839 110.592 108.800 -0.078 0.000 2.155 469 G HA2 -0.182 3.786 3.960 0.014 0.000 0.257 469 G HA3 -0.182 3.786 3.960 0.014 0.000 0.257 469 G C -0.138 174.746 174.900 -0.026 0.000 0.983 469 G CA 0.717 45.793 45.100 -0.040 0.000 0.676 469 G HN 1.009 nan 8.290 nan 0.000 0.528 470 E N -2.217 117.967 120.200 -0.027 0.000 2.415 470 E HA 0.814 5.173 4.350 0.014 0.000 0.255 470 E C 0.804 177.398 176.600 -0.009 0.000 0.936 470 E CA -0.821 55.568 56.400 -0.017 0.000 0.876 470 E CB 0.258 29.945 29.700 -0.022 0.000 1.696 470 E HN -0.022 nan 8.360 nan 0.000 0.435 471 K N -0.503 119.892 120.400 -0.008 0.000 2.367 471 K HA 0.132 4.461 4.320 0.014 0.000 0.198 471 K C 1.610 178.205 176.600 -0.009 0.000 1.132 471 K CA 0.469 56.754 56.287 -0.003 0.000 0.941 471 K CB 0.468 32.967 32.500 -0.003 0.000 1.052 471 K HN 0.610 nan 8.250 nan 0.000 0.507 472 E N 1.601 121.793 120.200 -0.014 0.000 2.028 472 E HA -0.051 4.307 4.350 0.014 0.000 0.190 472 E C 2.034 178.619 176.600 -0.025 0.000 0.984 472 E CA 0.860 57.248 56.400 -0.019 0.000 0.800 472 E CB 0.129 29.819 29.700 -0.018 0.000 0.758 472 E HN 0.103 nan 8.360 nan 0.000 0.448 473 M N 0.398 119.984 119.600 -0.024 0.000 2.175 473 M HA -0.101 4.387 4.480 0.014 0.000 0.264 473 M C 2.454 178.735 176.300 -0.032 0.000 1.063 473 M CA 1.277 56.562 55.300 -0.026 0.000 1.119 473 M CB -0.164 32.422 32.600 -0.022 0.000 1.377 473 M HN 0.220 nan 8.290 nan 0.000 0.415 474 A N 0.625 123.437 122.820 -0.014 0.000 1.908 474 A HA -0.131 4.197 4.320 0.014 0.000 0.218 474 A C 2.363 179.904 177.584 -0.071 0.000 1.181 474 A CA 2.126 54.171 52.037 0.013 0.000 0.627 474 A CB -0.915 18.117 19.000 0.053 0.000 0.818 474 A HN 0.511 nan 8.150 nan 0.000 0.445 475 A N -0.748 122.036 122.820 -0.060 0.000 1.930 475 A HA -0.095 4.234 4.320 0.014 0.000 0.217 475 A C 1.952 179.462 177.584 -0.123 0.000 1.175 475 A CA 1.528 53.516 52.037 -0.081 0.000 0.627 475 A CB -0.370 18.604 19.000 -0.043 0.000 0.815 475 A HN 0.466 nan 8.150 nan 0.000 0.443 476 E N 0.180 120.320 120.200 -0.100 0.000 2.077 476 E HA -0.145 4.214 4.350 0.014 0.000 0.193 476 E C 2.042 178.556 176.600 -0.145 0.000 0.989 476 E CA 1.005 57.347 56.400 -0.096 0.000 0.800 476 E CB -0.434 29.232 29.700 -0.056 0.000 0.746 476 E HN 0.668 nan 8.360 nan 0.000 0.452 477 L N 0.737 121.841 121.223 -0.198 0.000 2.093 477 L HA -0.170 4.179 4.340 0.014 0.000 0.208 477 L C 2.639 179.075 176.870 -0.724 0.000 1.085 477 L CA 1.259 55.932 54.840 -0.278 0.000 0.755 477 L CB -0.325 41.592 42.059 -0.238 0.000 0.904 477 L HN 0.074 nan 8.230 nan 0.000 0.435 478 K N 0.630 120.467 120.400 -0.938 0.000 2.057 478 K HA -0.141 4.187 4.320 0.014 0.000 0.206 478 K C 2.076 178.479 176.600 -0.328 0.000 1.050 478 K CA 1.350 57.101 56.287 -0.894 0.000 0.935 478 K CB -0.130 32.129 32.500 -0.403 0.000 0.715 478 K HN 0.201 nan 8.250 nan 0.000 0.439 479 A N 0.870 123.558 122.820 -0.220 0.000 1.969 479 A HA -0.039 4.290 4.320 0.014 0.000 0.218 479 A C 2.060 179.573 177.584 -0.118 0.000 1.169 479 A CA 1.155 53.120 52.037 -0.121 0.000 0.635 479 A CB -0.453 18.491 19.000 -0.094 0.000 0.810 479 A HN 0.341 nan 8.150 nan 0.000 0.445 480 L N -2.892 118.240 121.223 -0.151 0.000 2.068 480 L HA -0.063 4.286 4.340 0.014 0.000 0.204 480 L C 2.285 179.008 176.870 -0.245 0.000 1.076 480 L CA 1.173 55.890 54.840 -0.204 0.000 0.753 480 L CB -0.297 41.615 42.059 -0.244 0.000 0.910 480 L HN 0.476 nan 8.230 nan 0.000 0.439 481 Y N -1.572 118.674 120.300 -0.090 0.000 2.507 481 Y HA 0.029 4.586 4.550 0.011 0.000 0.263 481 Y C 1.980 177.949 175.900 0.116 0.000 1.093 481 Y CA 0.488 58.623 58.100 0.057 0.000 1.285 481 Y CB 0.590 39.181 38.460 0.218 0.000 1.115 481 Y HN 0.086 nan 8.280 nan 0.000 0.533 482 S N -0.981 114.838 115.700 0.198 0.000 1.703 482 S HA -0.276 4.203 4.470 0.014 0.000 0.232 482 S C -0.035 174.760 174.600 0.325 0.000 0.865 482 S CA 1.758 60.070 58.200 0.188 0.000 1.462 482 S CB -1.194 62.079 63.200 0.122 0.000 1.879 482 S HN 0.526 nan 8.310 nan 0.000 0.532 483 D N 0.186 120.810 120.400 0.373 0.000 2.375 483 D HA 0.591 5.239 4.640 0.014 0.000 0.247 483 D C 0.586 177.002 176.300 0.194 0.000 1.061 483 D CA -0.580 53.576 54.000 0.260 0.000 0.834 483 D CB 1.334 42.227 40.800 0.155 0.000 1.247 483 D HN 0.075 nan 8.370 nan 0.000 0.489 484 I N 2.750 123.230 120.570 -0.150 0.000 2.361 484 I HA -0.153 4.026 4.170 0.014 0.000 0.251 484 I C 1.082 177.053 176.117 -0.242 0.000 1.133 484 I CA 1.380 62.314 61.300 -0.609 0.000 1.413 484 I CB -0.025 37.601 38.000 -0.623 0.000 1.073 484 I HN 0.363 nan 8.210 nan 0.000 0.424 485 D N -0.405 119.943 120.400 -0.087 0.000 2.378 485 D HA -0.000 4.648 4.640 0.014 0.000 0.227 485 D C 1.945 178.256 176.300 0.018 0.000 1.012 485 D CA 0.627 54.608 54.000 -0.031 0.000 0.905 485 D CB 0.285 41.077 40.800 -0.012 0.000 0.895 485 D HN 0.281 nan 8.370 nan 0.000 0.532 486 V N 0.389 120.338 119.914 0.060 0.000 3.643 486 V HA 0.099 4.227 4.120 0.014 0.000 0.280 486 V C 0.738 176.910 176.094 0.130 0.000 1.351 486 V CA -0.184 62.203 62.300 0.144 0.000 1.073 486 V CB 0.014 31.976 31.823 0.231 0.000 0.863 486 V HN 0.089 nan 8.190 nan 0.000 0.436 487 M N 1.430 120.992 119.600 -0.063 0.000 2.252 487 M HA 0.149 4.637 4.480 0.014 0.000 0.333 487 M C 0.181 176.402 176.300 -0.133 0.000 1.111 487 M CA 0.546 55.631 55.300 -0.358 0.000 1.140 487 M CB -0.050 32.359 32.600 -0.317 0.000 1.538 487 M HN 0.272 nan 8.290 nan 0.000 0.448 488 E N 3.062 123.178 120.200 -0.141 0.000 2.242 488 E HA 0.163 4.521 4.350 0.014 0.000 0.275 488 E C 0.462 177.100 176.600 0.064 0.000 1.002 488 E CA -0.637 55.805 56.400 0.070 0.000 0.841 488 E CB 1.222 31.025 29.700 0.171 0.000 1.109 488 E HN 0.768 nan 8.360 nan 0.000 0.394 489 L N 3.078 124.379 121.223 0.130 0.000 1.989 489 L HA -0.232 4.116 4.340 0.014 0.000 0.211 489 L C 2.068 178.979 176.870 0.067 0.000 1.071 489 L CA 1.935 56.829 54.840 0.089 0.000 0.749 489 L CB -0.651 41.437 42.059 0.047 0.000 0.890 489 L HN 0.724 nan 8.230 nan 0.000 0.431 490 Y N 1.009 121.305 120.300 -0.007 0.000 2.114 490 Y HA -0.083 4.476 4.550 0.015 0.000 0.284 490 Y C -0.614 175.289 175.900 0.005 0.000 1.143 490 Y CA 1.695 59.779 58.100 -0.027 0.000 1.135 490 Y CB -1.893 36.514 38.460 -0.089 0.000 0.980 490 Y HN 0.249 nan 8.280 nan 0.000 0.499 491 P HA -0.142 nan 4.420 nan 0.000 0.217 491 P C 1.427 178.611 177.300 -0.192 0.000 1.150 491 P CA 2.385 65.332 63.100 -0.254 0.000 0.832 491 P CB -0.369 31.335 31.700 0.008 0.000 0.787 492 A N -0.492 122.258 122.820 -0.118 0.000 1.933 492 A HA -0.145 4.183 4.320 0.014 0.000 0.218 492 A C 2.221 179.751 177.584 -0.090 0.000 1.175 492 A CA 1.309 53.295 52.037 -0.085 0.000 0.628 492 A CB -1.631 17.347 19.000 -0.036 0.000 0.814 492 A HN 0.129 nan 8.150 nan 0.000 0.444 493 L N -0.736 120.418 121.223 -0.116 0.000 2.093 493 L HA -0.107 4.241 4.340 0.014 0.000 0.208 493 L C 2.129 178.934 176.870 -0.108 0.000 1.085 493 L CA 0.874 55.658 54.840 -0.094 0.000 0.755 493 L CB -0.327 41.685 42.059 -0.077 0.000 0.904 493 L HN 0.354 nan 8.230 nan 0.000 0.435 494 L N -1.514 119.602 121.223 -0.178 0.000 2.558 494 L HA -0.010 4.338 4.340 0.014 0.000 0.225 494 L C 1.725 178.537 176.870 -0.096 0.000 1.128 494 L CA 0.083 54.842 54.840 -0.134 0.000 0.868 494 L CB 0.294 42.234 42.059 -0.197 0.000 1.006 494 L HN 0.071 nan 8.230 nan 0.000 0.454 495 V N -1.057 118.799 119.914 -0.097 0.000 3.604 495 V HA 0.058 4.186 4.120 0.014 0.000 0.277 495 V C 1.038 177.086 176.094 -0.076 0.000 1.399 495 V CA -0.054 62.201 62.300 -0.075 0.000 1.034 495 V CB 0.710 32.494 31.823 -0.066 0.000 0.824 495 V HN 0.304 nan 8.190 nan 0.000 0.439 496 E N 1.859 122.014 120.200 -0.075 0.000 2.415 496 E HA -0.014 4.344 4.350 0.014 0.000 0.262 496 E C 0.361 176.926 176.600 -0.058 0.000 1.038 496 E CA -0.227 56.127 56.400 -0.077 0.000 0.921 496 E CB 0.457 30.141 29.700 -0.026 0.000 0.950 496 E HN 0.277 nan 8.360 nan 0.000 0.438 497 K N 5.073 125.433 120.400 -0.066 0.000 2.453 497 K HA 0.081 4.410 4.320 0.014 0.000 0.280 497 K C -2.284 174.312 176.600 -0.006 0.000 1.045 497 K CA -1.249 55.016 56.287 -0.036 0.000 1.059 497 K CB 0.346 32.828 32.500 -0.030 0.000 0.901 497 K HN 0.243 nan 8.250 nan 0.000 0.475 498 P HA 0.109 nan 4.420 nan 0.000 0.272 498 P C -0.717 176.594 177.300 0.018 0.000 1.230 498 P CA -0.394 62.698 63.100 -0.013 0.000 0.788 498 P CB 0.549 32.218 31.700 -0.051 0.000 0.949 499 R N 2.417 122.938 120.500 0.035 0.000 2.811 499 R HA 0.147 4.496 4.340 0.014 0.000 0.265 499 R C -1.965 174.377 176.300 0.069 0.000 1.026 499 R CA -1.125 55.037 56.100 0.104 0.000 1.142 499 R CB -1.488 28.938 30.300 0.210 0.000 1.027 499 R HN 0.390 nan 8.270 nan 0.000 0.465 500 P HA -0.051 nan 4.420 nan 0.000 0.262 500 P C -0.886 176.413 177.300 -0.003 0.000 1.199 500 P CA 0.607 63.736 63.100 0.048 0.000 0.763 500 P CB 0.309 32.059 31.700 0.084 0.000 0.790 501 D N -0.039 120.339 120.400 -0.038 0.000 2.911 501 D HA -0.205 4.443 4.640 0.014 0.000 0.227 501 D C 0.203 176.431 176.300 -0.119 0.000 1.164 501 D CA 1.433 55.386 54.000 -0.079 0.000 0.782 501 D CB -1.098 39.657 40.800 -0.076 0.000 1.094 501 D HN 0.480 nan 8.370 nan 0.000 0.425 502 A N -0.152 122.599 122.820 -0.115 0.000 2.299 502 A HA 0.694 5.022 4.320 0.014 0.000 0.332 502 A C 1.201 178.621 177.584 -0.273 0.000 1.131 502 A CA -0.508 51.417 52.037 -0.185 0.000 0.844 502 A CB 1.254 20.198 19.000 -0.094 0.000 1.251 502 A HN 0.132 nan 8.150 nan 0.000 0.486 503 I N -0.860 119.425 120.570 -0.476 0.000 2.617 503 I HA 0.144 4.322 4.170 0.014 0.000 0.256 503 I C -0.719 175.057 176.117 -0.569 0.000 1.167 503 I CA 0.700 61.607 61.300 -0.655 0.000 1.469 503 I CB -0.080 37.283 38.000 -1.063 0.000 1.098 503 I HN 0.468 nan 8.210 nan 0.000 0.436 504 F N -0.399 119.390 119.950 -0.269 0.000 2.593 504 F HA 0.631 5.166 4.527 0.013 0.000 0.320 504 F C 0.743 176.444 175.800 -0.164 0.000 1.060 504 F CA -1.294 56.560 58.000 -0.244 0.000 0.940 504 F CB 0.665 39.500 39.000 -0.275 0.000 1.268 504 F HN -0.259 nan 8.300 nan 0.000 0.475 505 G N -0.375 108.483 108.800 0.097 0.000 2.531 505 G HA2 0.276 4.245 3.960 0.014 0.000 0.313 505 G HA3 0.276 4.245 3.960 0.014 0.000 0.313 505 G C 0.613 175.521 174.900 0.013 0.000 1.238 505 G CA -0.356 44.768 45.100 0.040 0.000 0.994 505 G HN 0.746 nan 8.290 nan 0.000 0.493 506 E N -1.011 119.202 120.200 0.022 0.000 2.097 506 E HA -0.185 4.173 4.350 0.014 0.000 0.196 506 E C 2.227 178.811 176.600 -0.027 0.000 1.000 506 E CA 1.894 58.289 56.400 -0.007 0.000 0.804 506 E CB -0.133 29.585 29.700 0.030 0.000 0.740 506 E HN 0.461 nan 8.360 nan 0.000 0.454 507 T N 0.746 115.298 114.554 -0.003 0.000 2.821 507 T HA -0.164 4.195 4.350 0.014 0.000 0.267 507 T C 1.695 176.337 174.700 -0.096 0.000 1.046 507 T CA 1.368 63.446 62.100 -0.037 0.000 1.139 507 T CB -0.217 68.663 68.868 0.020 0.000 0.871 507 T HN 0.162 nan 8.240 nan 0.000 0.454 508 M N 1.306 120.839 119.600 -0.113 0.000 2.080 508 M HA -0.061 4.427 4.480 0.014 0.000 0.260 508 M C 2.084 178.276 176.300 -0.179 0.000 1.068 508 M CA 1.503 56.680 55.300 -0.205 0.000 1.109 508 M CB -0.578 31.754 32.600 -0.447 0.000 1.342 508 M HN 0.062 nan 8.290 nan 0.000 0.405 509 V N -0.065 119.771 119.914 -0.131 0.000 2.379 509 V HA -0.168 3.961 4.120 0.014 0.000 0.245 509 V C 2.325 178.383 176.094 -0.060 0.000 1.044 509 V CA 1.621 63.885 62.300 -0.060 0.000 1.036 509 V CB -0.857 30.939 31.823 -0.044 0.000 0.664 509 V HN 0.404 nan 8.190 nan 0.000 0.453 510 E N 0.079 120.224 120.200 -0.092 0.000 2.274 510 E HA -0.026 4.332 4.350 0.014 0.000 0.194 510 E C 2.104 178.544 176.600 -0.266 0.000 0.996 510 E CA 0.805 57.146 56.400 -0.098 0.000 0.840 510 E CB -0.004 29.667 29.700 -0.048 0.000 0.772 510 E HN 0.509 nan 8.360 nan 0.000 0.491 511 L N -0.914 120.053 121.223 -0.427 0.000 2.168 511 L HA 0.129 4.477 4.340 0.014 0.000 0.203 511 L C 2.371 178.998 176.870 -0.406 0.000 1.078 511 L CA 1.045 55.368 54.840 -0.861 0.000 0.780 511 L CB -0.830 40.799 42.059 -0.716 0.000 0.939 511 L HN 0.110 nan 8.230 nan 0.000 0.451 512 G N 0.219 108.989 108.800 -0.049 0.000 2.408 512 G HA2 -0.169 3.800 3.960 0.014 0.000 0.217 512 G HA3 -0.169 3.800 3.960 0.014 0.000 0.217 512 G C 1.801 176.786 174.900 0.141 0.000 1.150 512 G CA 0.858 46.104 45.100 0.243 0.000 0.776 512 G HN 0.403 nan 8.290 nan 0.000 0.542 513 A N 1.726 124.576 122.820 0.049 0.000 1.858 513 A HA 0.059 4.387 4.320 0.014 0.000 0.216 513 A C 0.786 178.366 177.584 -0.007 0.000 1.190 513 A CA 2.012 54.090 52.037 0.068 0.000 0.617 513 A CB -1.189 17.849 19.000 0.063 0.000 0.827 513 A HN 0.373 nan 8.150 nan 0.000 0.443 514 P HA -0.143 nan 4.420 nan 0.000 0.214 514 P C 1.274 178.467 177.300 -0.177 0.000 1.163 514 P CA 1.156 64.162 63.100 -0.156 0.000 0.883 514 P CB -0.268 31.303 31.700 -0.215 0.000 0.788 515 F N -0.473 119.322 119.950 -0.259 0.000 2.126 515 F HA -0.210 4.325 4.527 0.014 0.000 0.299 515 F C 2.757 178.173 175.800 -0.641 0.000 1.096 515 F CA 1.417 59.069 58.000 -0.581 0.000 1.255 515 F CB -0.810 37.475 39.000 -1.191 0.000 0.997 515 F HN -0.016 nan 8.300 nan 0.000 0.479 516 S N 0.594 116.130 115.700 -0.273 0.000 2.335 516 S HA -0.117 4.361 4.470 0.014 0.000 0.217 516 S C 2.019 176.663 174.600 0.073 0.000 1.032 516 S CA 0.963 59.168 58.200 0.008 0.000 0.985 516 S CB -0.517 62.873 63.200 0.317 0.000 0.896 516 S HN 0.279 nan 8.310 nan 0.000 0.445 517 L N 1.116 122.389 121.223 0.083 0.000 2.127 517 L HA -0.078 4.270 4.340 0.014 0.000 0.211 517 L C 2.879 179.824 176.870 0.126 0.000 1.089 517 L CA 1.128 56.031 54.840 0.104 0.000 0.757 517 L CB -0.517 41.595 42.059 0.089 0.000 0.899 517 L HN 0.260 nan 8.230 nan 0.000 0.434 518 K N 0.612 121.073 120.400 0.103 0.000 2.057 518 K HA -0.100 4.228 4.320 0.014 0.000 0.207 518 K C 2.001 178.667 176.600 0.110 0.000 1.049 518 K CA 1.498 57.872 56.287 0.145 0.000 0.931 518 K CB -0.484 32.044 32.500 0.046 0.000 0.714 518 K HN 0.363 nan 8.250 nan 0.000 0.440 519 G N 0.598 109.409 108.800 0.019 0.000 2.421 519 G HA2 -0.143 3.825 3.960 0.014 0.000 0.217 519 G HA3 -0.143 3.825 3.960 0.014 0.000 0.217 519 G C 1.462 176.383 174.900 0.035 0.000 1.143 519 G CA 0.096 45.173 45.100 -0.038 0.000 0.784 519 G HN 0.115 nan 8.290 nan 0.000 0.541 520 L N 0.468 121.743 121.223 0.087 0.000 2.007 520 L HA 0.141 4.489 4.340 0.014 0.000 0.205 520 L C 2.820 179.783 176.870 0.154 0.000 1.073 520 L CA 1.305 56.209 54.840 0.106 0.000 0.744 520 L CB -0.745 41.371 42.059 0.095 0.000 0.898 520 L HN 0.139 nan 8.230 nan 0.000 0.435 521 M N -1.093 118.627 119.600 0.200 0.000 2.419 521 M HA 0.093 4.581 4.480 0.014 0.000 0.264 521 M C 2.052 178.638 176.300 0.478 0.000 1.082 521 M CA 0.946 56.389 55.300 0.239 0.000 1.119 521 M CB -1.683 30.914 32.600 -0.004 0.000 1.398 521 M HN 0.296 nan 8.290 nan 0.000 0.453 522 G N 0.648 109.724 108.800 0.460 0.000 2.598 522 G HA2 -0.138 3.831 3.960 0.014 0.000 0.215 522 G HA3 -0.138 3.831 3.960 0.014 0.000 0.215 522 G C 0.838 175.932 174.900 0.323 0.000 1.131 522 G CA -0.117 45.221 45.100 0.397 0.000 0.785 522 G HN 0.431 nan 8.290 nan 0.000 0.539 523 N N 1.112 119.965 118.700 0.256 0.000 2.454 523 N HA 0.029 4.778 4.740 0.014 0.000 0.254 523 N C -1.033 174.557 175.510 0.134 0.000 1.228 523 N CA -1.118 52.029 53.050 0.161 0.000 0.900 523 N CB 1.913 40.490 38.487 0.150 0.000 1.089 523 N HN -0.048 nan 8.380 nan 0.000 0.449 524 P HA -0.144 nan 4.420 nan 0.000 0.220 524 P C 1.487 178.564 177.300 -0.371 0.000 1.148 524 P CA 1.195 64.119 63.100 -0.294 0.000 0.803 524 P CB -0.156 31.215 31.700 -0.548 0.000 0.782 525 I N -3.363 117.158 120.570 -0.082 0.000 2.916 525 I HA -0.093 4.085 4.170 0.014 0.000 0.267 525 I C 1.516 177.921 176.117 0.480 0.000 1.263 525 I CA 1.221 62.698 61.300 0.296 0.000 1.471 525 I CB -1.092 37.256 38.000 0.580 0.000 1.089 525 I HN -0.165 nan 8.210 nan 0.000 0.468 526 C N 1.368 120.819 119.300 0.251 0.000 2.696 526 C HA 0.198 4.666 4.460 0.014 0.000 0.264 526 C C 1.739 176.767 174.990 0.063 0.000 1.288 526 C CA 0.228 59.348 59.018 0.170 0.000 1.717 526 C CB -1.615 26.264 27.740 0.231 0.000 1.893 526 C HN 0.706 nan 8.230 nan 0.000 0.577 527 S N 1.800 117.375 115.700 -0.208 0.000 2.592 527 S HA 0.215 4.693 4.470 0.014 0.000 0.271 527 S C -1.657 172.916 174.600 -0.045 0.000 1.326 527 S CA -0.622 57.229 58.200 -0.581 0.000 1.024 527 S CB 0.773 63.626 63.200 -0.577 0.000 0.921 527 S HN 0.060 nan 8.310 nan 0.000 0.527 528 P HA -0.129 nan 4.420 nan 0.000 0.216 528 P C 1.475 178.713 177.300 -0.103 0.000 1.153 528 P CA 1.198 64.029 63.100 -0.449 0.000 0.858 528 P CB 0.036 31.336 31.700 -0.668 0.000 0.789 529 Q N -2.364 117.414 119.800 -0.035 0.000 2.369 529 Q HA -0.066 4.282 4.340 0.014 0.000 0.206 529 Q C 1.784 177.759 176.000 -0.043 0.000 0.963 529 Q CA 1.237 57.018 55.803 -0.037 0.000 0.894 529 Q CB -0.433 28.279 28.738 -0.043 0.000 0.965 529 Q HN 0.483 nan 8.270 nan 0.000 0.475 530 Y N -2.046 118.249 120.300 -0.009 0.000 2.479 530 Y HA 0.009 4.568 4.550 0.014 0.000 0.283 530 Y C 1.109 177.069 175.900 0.101 0.000 1.109 530 Y CA -0.232 57.872 58.100 0.006 0.000 1.239 530 Y CB 0.369 38.877 38.460 0.079 0.000 1.108 530 Y HN 0.164 nan 8.280 nan 0.000 0.548 531 W N 5.069 126.510 121.300 0.235 0.000 1.606 531 W HA 0.216 4.885 4.660 0.014 0.000 0.455 531 W C -0.745 175.876 176.519 0.170 0.000 0.711 531 W CA 0.107 57.669 57.345 0.361 0.000 1.876 531 W CB -0.503 29.262 29.460 0.508 0.000 1.776 531 W HN 0.078 nan 8.180 nan 0.000 0.229 532 K N 2.489 122.699 120.400 -0.316 0.000 2.556 532 K HA 0.412 4.740 4.320 0.014 0.000 0.274 532 K C -2.652 173.455 176.600 -0.823 0.000 0.966 532 K CA -1.591 54.360 56.287 -0.561 0.000 0.865 532 K CB 1.557 33.904 32.500 -0.254 0.000 1.444 532 K HN -0.289 nan 8.250 nan 0.000 0.433 533 P HA -0.248 nan 4.420 nan 0.000 0.216 533 P C 1.205 178.369 177.300 -0.227 0.000 1.153 533 P CA 1.923 64.706 63.100 -0.529 0.000 0.858 533 P CB 0.046 31.618 31.700 -0.214 0.000 0.789 534 S N -1.912 113.657 115.700 -0.218 0.000 2.419 534 S HA -0.137 4.341 4.470 0.014 0.000 0.233 534 S C 1.846 176.326 174.600 -0.199 0.000 1.016 534 S CA 1.774 59.897 58.200 -0.127 0.000 0.974 534 S CB -1.986 61.147 63.200 -0.112 0.000 0.786 534 S HN 0.124 nan 8.310 nan 0.000 0.492 535 T N 1.507 115.796 114.554 -0.441 0.000 2.803 535 T HA 0.026 4.385 4.350 0.014 0.000 0.269 535 T C 0.520 174.861 174.700 -0.599 0.000 1.052 535 T CA 1.155 62.855 62.100 -0.668 0.000 1.136 535 T CB -0.480 67.715 68.868 -1.122 0.000 0.864 535 T HN 0.625 nan 8.240 nan 0.000 0.467 536 F N 0.132 120.080 119.950 -0.003 0.000 2.772 536 F HA 0.488 5.023 4.527 0.014 0.000 0.302 536 F C 1.579 177.476 175.800 0.161 0.000 1.136 536 F CA -0.534 57.524 58.000 0.098 0.000 1.322 536 F CB 0.160 39.235 39.000 0.124 0.000 0.967 536 F HN 0.177 nan 8.300 nan 0.000 0.513 537 G N 0.249 109.222 108.800 0.287 0.000 2.148 537 G HA2 0.082 4.051 3.960 0.014 0.000 0.254 537 G HA3 0.082 4.051 3.960 0.014 0.000 0.254 537 G C 0.583 175.664 174.900 0.302 0.000 0.981 537 G CA 0.017 45.330 45.100 0.355 0.000 0.670 537 G HN 1.246 nan 8.290 nan 0.000 0.528 538 G N -1.487 107.430 108.800 0.195 0.000 2.434 538 G HA2 0.248 4.216 3.960 0.014 0.000 0.671 538 G HA3 0.248 4.216 3.960 0.014 0.000 0.671 538 G C 0.333 175.321 174.900 0.147 0.000 1.280 538 G CA 0.503 45.681 45.100 0.130 0.000 0.975 538 G HN 0.489 nan 8.290 nan 0.000 0.510 539 E N -0.668 119.599 120.200 0.112 0.000 2.204 539 E HA -0.089 4.269 4.350 0.014 0.000 0.195 539 E C 2.768 179.453 176.600 0.141 0.000 0.990 539 E CA 1.523 58.014 56.400 0.153 0.000 0.821 539 E CB -0.182 29.575 29.700 0.096 0.000 0.750 539 E HN 0.417 nan 8.360 nan 0.000 0.477 540 V N 0.548 120.518 119.914 0.093 0.000 2.323 540 V HA -0.126 4.003 4.120 0.014 0.000 0.244 540 V C 2.409 178.563 176.094 0.101 0.000 1.041 540 V CA 1.879 64.217 62.300 0.064 0.000 1.025 540 V CB -0.917 30.913 31.823 0.013 0.000 0.656 540 V HN 0.306 nan 8.190 nan 0.000 0.451 541 G N -0.896 107.998 108.800 0.157 0.000 2.408 541 G HA2 -0.273 3.695 3.960 0.014 0.000 0.217 541 G HA3 -0.273 3.695 3.960 0.014 0.000 0.217 541 G C 1.545 176.580 174.900 0.224 0.000 1.150 541 G CA 0.688 45.912 45.100 0.206 0.000 0.776 541 G HN 0.402 nan 8.290 nan 0.000 0.542 542 F N 1.724 121.697 119.950 0.039 0.000 2.171 542 F HA 0.006 4.542 4.527 0.014 0.000 0.300 542 F C 2.497 178.227 175.800 -0.116 0.000 1.090 542 F CA 1.444 59.377 58.000 -0.111 0.000 1.293 542 F CB -0.284 38.679 39.000 -0.062 0.000 1.013 542 F HN 0.202 nan 8.300 nan 0.000 0.486 543 K N 0.428 120.837 120.400 0.015 0.000 2.148 543 K HA -0.119 4.209 4.320 0.014 0.000 0.204 543 K C 2.107 178.679 176.600 -0.048 0.000 1.050 543 K CA 1.491 57.736 56.287 -0.070 0.000 0.942 543 K CB -0.333 32.160 32.500 -0.012 0.000 0.724 543 K HN 0.341 nan 8.250 nan 0.000 0.446 544 I N 0.752 121.323 120.570 0.002 0.000 2.208 544 I HA -0.306 3.872 4.170 0.014 0.000 0.245 544 I C 2.066 178.199 176.117 0.028 0.000 1.097 544 I CA 1.277 62.592 61.300 0.026 0.000 1.363 544 I CB -0.236 37.800 38.000 0.060 0.000 1.051 544 I HN 0.198 nan 8.210 nan 0.000 0.413 545 I N 0.589 121.153 120.570 -0.010 0.000 2.163 545 I HA -0.257 3.921 4.170 0.014 0.000 0.240 545 I C 1.854 178.011 176.117 0.066 0.000 1.081 545 I CA 1.295 62.621 61.300 0.044 0.000 1.353 545 I CB -0.475 37.514 38.000 -0.018 0.000 1.054 545 I HN 0.267 nan 8.210 nan 0.000 0.407 546 N N 0.373 119.024 118.700 -0.081 0.000 2.521 546 N HA -0.058 4.690 4.740 0.014 0.000 0.188 546 N C 1.252 176.756 175.510 -0.010 0.000 1.146 546 N CA 1.402 54.413 53.050 -0.065 0.000 0.893 546 N CB -0.011 38.312 38.487 -0.272 0.000 0.975 546 N HN 0.485 nan 8.380 nan 0.000 0.451 547 T N -3.522 111.033 114.554 0.000 0.000 3.091 547 T HA 0.462 4.821 4.350 0.014 0.000 0.277 547 T C 0.564 175.280 174.700 0.026 0.000 0.996 547 T CA -0.553 61.552 62.100 0.009 0.000 0.897 547 T CB 0.359 69.222 68.868 -0.008 0.000 1.109 547 T HN 0.071 nan 8.240 nan 0.000 0.534 548 A N 1.962 124.816 122.820 0.057 0.000 2.445 548 A HA 0.657 4.985 4.320 0.014 0.000 0.242 548 A C 0.625 178.235 177.584 0.044 0.000 1.075 548 A CA -0.065 52.010 52.037 0.063 0.000 0.777 548 A CB 0.056 19.130 19.000 0.122 0.000 1.013 548 A HN 1.079 nan 8.150 nan 0.000 0.493 549 S N 0.978 116.681 115.700 0.004 0.000 2.596 549 S HA 0.440 4.918 4.470 0.014 0.000 0.270 549 S C 0.393 174.940 174.600 -0.088 0.000 1.155 549 S CA -0.128 58.052 58.200 -0.033 0.000 0.827 549 S CB 0.552 63.717 63.200 -0.060 0.000 1.130 549 S HN 1.091 nan 8.310 nan 0.000 0.467 550 I N 1.284 121.755 120.570 -0.165 0.000 2.286 550 I HA -0.073 4.105 4.170 0.014 0.000 0.248 550 I C 2.432 178.387 176.117 -0.270 0.000 1.115 550 I CA 2.024 63.164 61.300 -0.267 0.000 1.392 550 I CB -0.579 37.038 38.000 -0.638 0.000 1.065 550 I HN 0.924 nan 8.210 nan 0.000 0.418 551 Q N 0.323 119.959 119.800 -0.274 0.000 2.083 551 Q HA -0.158 4.190 4.340 0.014 0.000 0.198 551 Q C 2.398 178.291 176.000 -0.178 0.000 0.969 551 Q CA 2.319 57.964 55.803 -0.263 0.000 0.838 551 Q CB -0.456 28.118 28.738 -0.274 0.000 0.900 551 Q HN 0.657 nan 8.270 nan 0.000 0.436 552 S N -0.456 115.163 115.700 -0.135 0.000 2.406 552 S HA -0.117 4.362 4.470 0.014 0.000 0.228 552 S C 1.873 176.401 174.600 -0.119 0.000 1.020 552 S CA 0.908 59.047 58.200 -0.101 0.000 0.965 552 S CB -0.566 62.594 63.200 -0.066 0.000 0.798 552 S HN 0.409 nan 8.310 nan 0.000 0.488 553 L N 1.018 122.153 121.223 -0.147 0.000 2.012 553 L HA 0.054 4.403 4.340 0.014 0.000 0.210 553 L C 2.120 178.864 176.870 -0.211 0.000 1.073 553 L CA 1.652 56.364 54.840 -0.214 0.000 0.748 553 L CB -0.696 41.182 42.059 -0.302 0.000 0.891 553 L HN 0.261 nan 8.230 nan 0.000 0.431 554 I N -1.254 119.204 120.570 -0.187 0.000 2.353 554 I HA -0.239 3.940 4.170 0.014 0.000 0.248 554 I C 2.691 178.726 176.117 -0.137 0.000 1.119 554 I CA 1.185 62.385 61.300 -0.167 0.000 1.417 554 I CB -0.910 36.993 38.000 -0.160 0.000 1.078 554 I HN 0.473 nan 8.210 nan 0.000 0.421 555 c N 1.061 119.586 118.600 -0.125 0.000 2.440 555 c HA -0.085 4.494 4.570 0.014 0.000 0.278 555 c C 2.533 176.571 174.090 -0.085 0.000 1.295 555 c CA 0.871 57.144 56.329 -0.094 0.000 1.738 555 c CB -1.260 41.201 42.510 -0.082 0.000 1.987 555 c HN 0.509 nan 8.230 nan 0.000 0.492 556 N N 1.066 119.709 118.700 -0.095 0.000 2.463 556 N HA 0.018 4.766 4.740 0.014 0.000 0.181 556 N C 0.963 176.415 175.510 -0.098 0.000 1.078 556 N CA 0.765 53.764 53.050 -0.084 0.000 0.902 556 N CB -0.362 38.080 38.487 -0.076 0.000 0.970 556 N HN 0.653 nan 8.380 nan 0.000 0.451 557 N N -0.397 118.230 118.700 -0.121 0.000 2.168 557 N HA 0.106 4.854 4.740 0.014 0.000 0.216 557 N C -0.598 174.825 175.510 -0.146 0.000 1.259 557 N CA 0.162 53.128 53.050 -0.140 0.000 0.902 557 N CB 2.029 40.412 38.487 -0.172 0.000 1.079 557 N HN -0.108 nan 8.380 nan 0.000 0.507 558 V N 1.735 121.573 119.914 -0.127 0.000 2.540 558 V HA 0.245 4.374 4.120 0.014 0.000 0.302 558 V C 0.378 176.422 176.094 -0.084 0.000 1.035 558 V CA -1.174 61.057 62.300 -0.115 0.000 0.873 558 V CB 2.673 34.430 31.823 -0.110 0.000 0.992 558 V HN -0.041 nan 8.190 nan 0.000 0.428 559 K N 2.541 122.895 120.400 -0.076 0.000 2.484 559 K HA 0.321 4.650 4.320 0.014 0.000 0.280 559 K C 1.207 177.787 176.600 -0.033 0.000 1.013 559 K CA 1.273 57.528 56.287 -0.053 0.000 1.029 559 K CB 0.161 32.633 32.500 -0.047 0.000 0.902 559 K HN 1.192 nan 8.250 nan 0.000 0.481 560 G N 2.886 111.670 108.800 -0.027 0.000 2.195 560 G HA2 -0.326 3.643 3.960 0.014 0.000 0.246 560 G HA3 -0.326 3.643 3.960 0.014 0.000 0.246 560 G C 0.385 175.278 174.900 -0.012 0.000 0.984 560 G CA -0.114 44.978 45.100 -0.013 0.000 0.633 560 G HN 1.163 nan 8.290 nan 0.000 0.525 561 c N 1.096 119.680 118.600 -0.027 0.000 3.349 561 c HA -0.087 4.492 4.570 0.014 0.000 0.275 561 c C -0.263 173.822 174.090 -0.008 0.000 1.322 561 c CA -0.044 56.266 56.329 -0.031 0.000 2.261 561 c CB -1.823 40.671 42.510 -0.027 0.000 1.446 561 c HN 0.807 nan 8.230 nan 0.000 0.533 562 P HA 0.184 nan 4.420 nan 0.000 0.268 562 P C -0.079 177.250 177.300 0.047 0.000 1.208 562 P CA 0.074 63.196 63.100 0.036 0.000 0.777 562 P CB 0.362 32.077 31.700 0.024 0.000 0.875 563 F N 1.583 121.514 119.950 -0.031 0.000 2.471 563 F HA 0.383 4.918 4.527 0.014 0.000 0.353 563 F C 0.409 176.184 175.800 -0.040 0.000 1.113 563 F CA 0.957 58.935 58.000 -0.037 0.000 1.262 563 F CB 0.799 39.781 39.000 -0.030 0.000 1.146 563 F HN 0.305 nan 8.300 nan 0.000 0.578 564 T N 3.593 117.546 114.554 -1.002 0.000 2.816 564 T HA 0.599 4.958 4.350 0.014 0.000 0.299 564 T C -1.539 172.628 174.700 -0.889 0.000 1.230 564 T CA -0.402 61.301 62.100 -0.662 0.000 1.007 564 T CB 1.437 70.118 68.868 -0.311 0.000 1.289 564 T HN 0.875 nan 8.240 nan 0.000 0.508 565 S N 0.171 115.594 115.700 -0.463 0.000 2.611 565 S HA 0.486 4.965 4.470 0.014 0.000 0.270 565 S C -0.909 173.547 174.600 -0.239 0.000 1.131 565 S CA -0.588 57.390 58.200 -0.370 0.000 0.826 565 S CB 0.551 63.689 63.200 -0.104 0.000 1.095 565 S HN 0.646 nan 8.310 nan 0.000 0.461 566 F N 1.871 121.737 119.950 -0.140 0.000 2.765 566 F HA 0.237 4.772 4.527 0.014 0.000 0.302 566 F C 0.867 176.395 175.800 -0.455 0.000 1.111 566 F CA -0.396 57.476 58.000 -0.214 0.000 1.359 566 F CB 0.226 39.079 39.000 -0.245 0.000 1.097 566 F HN 0.598 nan 8.300 nan 0.000 0.577 567 N N -1.500 117.126 118.700 -0.123 0.000 2.240 567 N HA 0.353 5.101 4.740 0.014 0.000 0.302 567 N C -1.053 174.482 175.510 0.043 0.000 1.106 567 N CA -0.739 52.261 53.050 -0.084 0.000 0.778 567 N CB 1.251 39.720 38.487 -0.030 0.000 1.431 567 N HN -0.267 nan 8.380 nan 0.000 0.479 568 V N 1.530 121.472 119.914 0.046 0.000 2.673 568 V HA 0.005 4.133 4.120 0.014 0.000 0.303 568 V C 0.597 176.724 176.094 0.056 0.000 1.046 568 V CA 0.038 62.376 62.300 0.063 0.000 1.126 568 V CB 0.459 32.311 31.823 0.047 0.000 0.934 568 V HN 0.648 nan 8.190 nan 0.000 0.487 569 Q N 0.000 119.831 119.800 0.052 0.000 2.315 569 Q HA 0.000 4.348 4.340 0.014 0.000 0.214 569 Q CA 0.000 55.808 55.803 0.009 0.000 1.022 569 Q CB 0.000 28.701 28.738 -0.062 0.000 1.108 569 Q HN 0.000 nan 8.270 nan 0.000 0.481