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_C 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 0.000 177.627 177.584 0.072 0.000 1.274 18 A CA 0.000 52.076 52.037 0.065 0.000 0.836 18 A CB 0.000 19.046 19.000 0.076 0.000 0.831 19 N N 2.647 121.380 118.700 0.055 0.000 2.374 19 N HA 0.078 4.818 4.740 -0.000 0.000 0.269 19 N C -1.678 173.850 175.510 0.029 0.000 1.310 19 N CA -0.453 52.622 53.050 0.041 0.000 0.877 19 N CB 1.105 39.606 38.487 0.024 0.000 1.096 19 N HN 0.271 nan 8.380 nan 0.000 0.484 20 P HA -0.002 nan 4.420 nan 0.000 0.239 20 P C 0.442 177.707 177.300 -0.059 0.000 1.184 20 P CA 0.523 63.659 63.100 0.061 0.000 0.760 20 P CB 0.015 31.813 31.700 0.164 0.000 0.884 21 c N -1.734 116.817 118.600 -0.082 0.000 2.906 21 c HA 0.151 4.721 4.570 -0.000 0.000 0.274 21 c C 2.607 176.611 174.090 -0.145 0.000 1.257 21 c CA -0.223 56.000 56.329 -0.177 0.000 1.695 21 c CB -2.052 40.393 42.510 -0.109 0.000 1.958 21 c HN 0.335 nan 8.230 nan 0.000 0.619 22 c N 1.438 119.985 118.600 -0.090 0.000 2.410 22 c HA -0.102 4.468 4.570 -0.000 0.000 0.281 22 c C 2.906 176.949 174.090 -0.079 0.000 1.318 22 c CA 2.061 58.352 56.329 -0.062 0.000 1.776 22 c CB -1.283 41.212 42.510 -0.024 0.000 1.942 22 c HN 0.812 nan 8.230 nan 0.000 0.508 23 S N 0.388 116.020 115.700 -0.113 0.000 2.603 23 S HA -0.018 4.451 4.470 -0.000 0.000 0.220 23 S C 0.435 174.953 174.600 -0.137 0.000 0.967 23 S CA 0.408 58.543 58.200 -0.108 0.000 0.920 23 S CB -0.577 62.558 63.200 -0.107 0.000 0.773 23 S HN 0.666 nan 8.310 nan 0.000 0.529 24 N N 1.215 119.813 118.700 -0.170 0.000 2.727 24 N HA -0.091 4.649 4.740 -0.000 0.000 0.251 24 N C -2.201 173.193 175.510 -0.192 0.000 1.040 24 N CA 0.980 53.925 53.050 -0.176 0.000 0.712 24 N CB -1.822 36.580 38.487 -0.142 0.000 0.912 24 N HN 0.416 nan 8.380 nan 0.000 0.545 25 P HA -0.048 nan 4.420 nan 0.000 0.216 25 P C 0.354 177.565 177.300 -0.148 0.000 1.150 25 P CA 0.977 63.910 63.100 -0.279 0.000 0.837 25 P CB 0.235 31.503 31.700 -0.719 0.000 0.786 26 c N 1.674 120.191 118.600 -0.139 0.000 2.415 26 c HA 0.350 4.920 4.570 -0.000 0.000 0.369 26 c C 0.587 174.616 174.090 -0.102 0.000 1.279 26 c CA -0.725 55.564 56.329 -0.066 0.000 1.886 26 c CB -0.433 42.059 42.510 -0.029 0.000 2.468 26 c HN 0.233 nan 8.230 nan 0.000 0.553 27 Q N 1.718 121.446 119.800 -0.120 0.000 2.195 27 Q HA 0.346 4.685 4.340 -0.000 0.000 0.250 27 Q C 0.281 176.140 176.000 -0.235 0.000 0.988 27 Q CA -0.424 55.268 55.803 -0.185 0.000 0.911 27 Q CB 0.557 29.160 28.738 -0.224 0.000 1.258 27 Q HN 0.776 nan 8.270 nan 0.000 0.475 28 N N 1.192 119.724 118.700 -0.279 0.000 2.725 28 N HA -0.220 4.520 4.740 -0.000 0.000 0.249 28 N C -0.594 174.836 175.510 -0.133 0.000 1.103 28 N CA 0.917 53.790 53.050 -0.295 0.000 0.707 28 N CB -0.390 37.687 38.487 -0.683 0.000 1.043 28 N HN 0.676 nan 8.380 nan 0.000 0.553 29 R N -4.135 116.299 120.500 -0.109 0.000 3.892 29 R HA -0.121 4.218 4.340 -0.000 0.000 0.441 29 R C 0.878 177.167 176.300 -0.019 0.000 1.052 29 R CA 1.123 57.187 56.100 -0.060 0.000 1.190 29 R CB -2.239 28.038 30.300 -0.038 0.000 1.808 29 R HN 0.443 nan 8.270 nan 0.000 0.538 30 G N 1.248 110.031 108.800 -0.027 0.000 2.554 30 G HA2 0.241 4.200 3.960 -0.000 0.000 0.238 30 G HA3 0.241 4.200 3.960 -0.000 0.000 0.238 30 G C -0.035 174.873 174.900 0.013 0.000 1.259 30 G CA -0.241 44.864 45.100 0.010 0.000 0.843 30 G HN 0.201 nan 8.290 nan 0.000 0.582 31 E N -0.096 120.130 120.200 0.044 0.000 2.166 31 E HA 0.286 4.636 4.350 -0.000 0.000 0.275 31 E C -0.710 175.924 176.600 0.056 0.000 0.941 31 E CA -0.642 55.792 56.400 0.055 0.000 0.784 31 E CB 2.002 31.759 29.700 0.095 0.000 1.115 31 E HN 0.386 nan 8.360 nan 0.000 0.399 32 c N 4.685 123.302 118.600 0.028 0.000 2.388 32 c HA 0.586 5.156 4.570 -0.000 0.000 0.362 32 c C -0.208 173.917 174.090 0.058 0.000 1.266 32 c CA -0.321 56.030 56.329 0.037 0.000 2.028 32 c CB -0.509 41.963 42.510 -0.065 0.000 2.440 32 c HN 0.815 nan 8.230 nan 0.000 0.547 33 M N 5.627 125.283 119.600 0.094 0.000 2.386 33 M HA 0.425 4.905 4.480 -0.000 0.000 0.293 33 M C -0.043 176.309 176.300 0.086 0.000 1.120 33 M CA -0.094 55.247 55.300 0.068 0.000 0.909 33 M CB 2.127 34.759 32.600 0.054 0.000 1.661 33 M HN 0.794 nan 8.290 nan 0.000 0.452 34 S N 2.141 117.868 115.700 0.044 0.000 2.564 34 S HA 0.376 4.845 4.470 -0.000 0.000 0.278 34 S C 0.312 174.910 174.600 -0.003 0.000 1.333 34 S CA 0.063 58.285 58.200 0.037 0.000 1.048 34 S CB 0.529 63.721 63.200 -0.013 0.000 0.900 34 S HN 0.761 nan 8.310 nan 0.000 0.505 35 T N -1.082 113.471 114.554 -0.001 0.000 3.483 35 T HA 0.653 5.003 4.350 -0.000 0.000 0.258 35 T C 0.452 175.124 174.700 -0.047 0.000 1.013 35 T CA -0.131 61.950 62.100 -0.031 0.000 1.078 35 T CB -0.580 68.274 68.868 -0.024 0.000 1.111 35 T HN 1.794 nan 8.240 nan 0.000 0.538 36 G N 0.393 109.136 108.800 -0.095 0.000 2.357 36 G HA2 0.136 4.096 3.960 -0.000 0.000 0.643 36 G HA3 0.136 4.096 3.960 -0.000 0.000 0.643 36 G C -0.269 174.575 174.900 -0.092 0.000 1.358 36 G CA -0.828 44.209 45.100 -0.105 0.000 0.986 36 G HN 0.092 nan 8.290 nan 0.000 0.620 37 F N -0.075 119.887 119.950 0.020 0.000 2.333 37 F HA 0.102 4.628 4.527 -0.001 0.000 0.300 37 F C 1.938 177.758 175.800 0.033 0.000 1.083 37 F CA 1.860 59.874 58.000 0.023 0.000 1.395 37 F CB 0.346 39.357 39.000 0.017 0.000 1.056 37 F HN 0.356 nan 8.300 nan 0.000 0.529 38 D N -1.307 119.212 120.400 0.198 0.000 2.594 38 D HA 0.124 4.763 4.640 -0.000 0.000 0.256 38 D C -0.219 176.153 176.300 0.121 0.000 1.393 38 D CA 0.185 54.273 54.000 0.147 0.000 0.797 38 D CB 0.442 41.318 40.800 0.127 0.000 1.110 38 D HN 0.236 nan 8.370 nan 0.000 0.495 39 Q N 0.205 120.064 119.800 0.098 0.000 2.387 39 Q HA 0.570 4.910 4.340 -0.000 0.000 0.273 39 Q C -0.846 175.220 176.000 0.111 0.000 1.089 39 Q CA -0.913 54.924 55.803 0.057 0.000 0.824 39 Q CB 2.258 30.990 28.738 -0.010 0.000 1.367 39 Q HN 0.180 nan 8.270 nan 0.000 0.443 40 Y N -1.734 118.568 120.300 0.002 0.000 2.638 40 Y HA 0.860 5.410 4.550 -0.000 0.000 0.339 40 Y C -1.355 174.544 175.900 -0.000 0.000 1.084 40 Y CA -1.341 56.757 58.100 -0.004 0.000 1.068 40 Y CB 1.717 40.175 38.460 -0.003 0.000 1.294 40 Y HN 0.581 nan 8.280 nan 0.000 0.480 41 K N 1.028 121.532 120.400 0.172 0.000 2.498 41 K HA 0.738 5.058 4.320 -0.000 0.000 0.254 41 K C -2.189 174.536 176.600 0.208 0.000 0.933 41 K CA -0.365 55.967 56.287 0.074 0.000 0.806 41 K CB 1.912 34.419 32.500 0.012 0.000 1.301 41 K HN 0.948 nan 8.250 nan 0.000 0.432 42 c N 2.498 121.204 118.600 0.175 0.000 2.319 42 c HA 0.422 4.992 4.570 -0.000 0.000 0.335 42 c C -0.774 173.374 174.090 0.096 0.000 1.274 42 c CA -0.616 55.802 56.329 0.149 0.000 1.806 42 c CB 0.589 43.191 42.510 0.154 0.000 2.329 42 c HN 0.813 nan 8.230 nan 0.000 0.524 43 D N 1.643 122.092 120.400 0.083 0.000 2.396 43 D HA 0.257 4.896 4.640 -0.000 0.000 0.225 43 D C 0.235 176.579 176.300 0.074 0.000 1.121 43 D CA -0.325 53.718 54.000 0.071 0.000 0.853 43 D CB 0.710 41.548 40.800 0.063 0.000 1.043 43 D HN 0.634 nan 8.370 nan 0.000 0.500 44 c N 2.862 121.515 118.600 0.088 0.000 2.693 44 c HA 0.174 4.744 4.570 -0.000 0.000 0.286 44 c C 0.768 174.922 174.090 0.107 0.000 1.277 44 c CA -0.355 56.039 56.329 0.108 0.000 1.705 44 c CB -1.489 41.112 42.510 0.152 0.000 1.879 44 c HN 0.558 nan 8.230 nan 0.000 0.607 45 T N 1.807 116.408 114.554 0.079 0.000 2.800 45 T HA -0.006 4.344 4.350 -0.000 0.000 0.283 45 T C 0.988 175.728 174.700 0.067 0.000 0.999 45 T CA 0.769 62.908 62.100 0.064 0.000 1.176 45 T CB -0.079 68.816 68.868 0.045 0.000 0.973 45 T HN 0.630 nan 8.240 nan 0.000 0.519 46 R N 0.194 120.734 120.500 0.067 0.000 3.946 46 R HA -0.234 4.106 4.340 -0.000 0.000 0.329 46 R C 1.741 178.093 176.300 0.086 0.000 1.209 46 R CA 1.237 57.373 56.100 0.061 0.000 0.909 46 R CB -2.205 28.120 30.300 0.040 0.000 1.355 46 R HN 0.940 nan 8.270 nan 0.000 0.539 47 T N -4.849 109.783 114.554 0.129 0.000 3.014 47 T HA 0.187 4.537 4.350 -0.000 0.000 0.263 47 T C 1.549 176.421 174.700 0.286 0.000 1.078 47 T CA 1.066 63.283 62.100 0.196 0.000 1.135 47 T CB 0.605 69.602 68.868 0.215 0.000 0.895 47 T HN 0.689 nan 8.240 nan 0.000 0.480 48 G N 0.554 109.461 108.800 0.178 0.000 2.176 48 G HA2 -0.118 3.842 3.960 -0.000 0.000 0.232 48 G HA3 -0.118 3.842 3.960 -0.000 0.000 0.232 48 G C -0.136 174.631 174.900 -0.222 0.000 0.986 48 G CA -0.053 45.037 45.100 -0.018 0.000 0.643 48 G HN 0.551 nan 8.290 nan 0.000 0.522 49 F N -0.469 119.519 119.950 0.064 0.000 2.640 49 F HA 0.837 5.363 4.527 -0.000 0.000 0.324 49 F C 0.306 176.180 175.800 0.124 0.000 1.077 49 F CA -1.155 56.857 58.000 0.019 0.000 0.965 49 F CB 1.295 40.259 39.000 -0.060 0.000 1.351 49 F HN 0.249 nan 8.300 nan 0.000 0.487 50 Y N -1.350 119.082 120.300 0.220 0.000 2.889 50 Y HA 0.932 5.482 4.550 -0.000 0.000 0.317 50 Y C 0.020 175.992 175.900 0.119 0.000 1.414 50 Y CA -1.752 56.426 58.100 0.131 0.000 1.091 50 Y CB 1.050 39.557 38.460 0.077 0.000 1.358 50 Y HN 1.065 nan 8.280 nan 0.000 0.487 51 G N 0.083 109.041 108.800 0.262 0.000 2.612 51 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.686 51 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.686 51 G C 0.161 175.119 174.900 0.097 0.000 1.274 51 G CA -0.109 45.071 45.100 0.132 0.000 0.849 51 G HN 1.143 nan 8.290 nan 0.000 0.595 52 E N -0.350 119.890 120.200 0.066 0.000 2.130 52 E HA -0.168 4.181 4.350 -0.000 0.000 0.196 52 E C 1.326 177.984 176.600 0.098 0.000 0.998 52 E CA 1.600 58.030 56.400 0.049 0.000 0.806 52 E CB -0.090 29.619 29.700 0.016 0.000 0.738 52 E HN 0.415 nan 8.360 nan 0.000 0.459 53 N N -0.893 117.857 118.700 0.083 0.000 2.238 53 N HA 0.088 4.828 4.740 -0.000 0.000 0.235 53 N C -0.599 174.916 175.510 0.009 0.000 1.209 53 N CA 0.383 53.481 53.050 0.080 0.000 0.879 53 N CB 0.738 39.263 38.487 0.063 0.000 1.136 53 N HN 0.120 nan 8.380 nan 0.000 0.517 54 c N 0.878 119.494 118.600 0.027 0.000 4.350 54 c HA -0.122 4.448 4.570 -0.000 0.000 0.302 54 c C 1.822 175.853 174.090 -0.098 0.000 1.390 54 c CA 1.218 57.558 56.329 0.019 0.000 2.016 54 c CB -3.131 39.382 42.510 0.006 0.000 1.271 54 c HN 0.605 nan 8.230 nan 0.000 0.760 55 T N -4.806 109.706 114.554 -0.070 0.000 3.023 55 T HA 0.182 4.532 4.350 -0.000 0.000 0.253 55 T C 0.308 175.046 174.700 0.064 0.000 1.038 55 T CA 0.612 62.652 62.100 -0.100 0.000 0.962 55 T CB 0.177 68.994 68.868 -0.084 0.000 1.018 55 T HN 0.562 nan 8.240 nan 0.000 0.521 56 T N 5.788 120.320 114.554 -0.036 0.000 2.727 56 T HA 0.413 4.762 4.350 -0.000 0.000 0.298 56 T C -2.707 171.803 174.700 -0.317 0.000 0.942 56 T CA -1.291 60.650 62.100 -0.264 0.000 0.997 56 T CB 1.270 69.725 68.868 -0.689 0.000 0.917 56 T HN 0.217 nan 8.240 nan 0.000 0.487 57 P HA 0.249 nan 4.420 nan 0.000 0.278 57 P C -0.207 176.944 177.300 -0.248 0.000 1.238 57 P CA -0.511 62.284 63.100 -0.509 0.000 0.794 57 P CB 1.071 32.530 31.700 -0.402 0.000 0.955 58 E N 1.044 121.117 120.200 -0.211 0.000 2.373 58 E HA 0.046 4.396 4.350 -0.000 0.000 0.263 58 E C 0.798 177.404 176.600 0.010 0.000 1.073 58 E CA -0.401 56.038 56.400 0.066 0.000 0.894 58 E CB 0.207 29.939 29.700 0.054 0.000 1.008 58 E HN 0.363 nan 8.360 nan 0.000 0.420 59 F N 2.468 122.407 119.950 -0.018 0.000 2.045 59 F HA -0.292 4.235 4.527 -0.000 0.000 0.297 59 F C 1.828 177.593 175.800 -0.059 0.000 1.114 59 F CA 1.898 59.879 58.000 -0.032 0.000 1.207 59 F CB -0.392 38.598 39.000 -0.016 0.000 0.964 59 F HN 0.482 nan 8.300 nan 0.000 0.486 60 L N 0.220 121.324 121.223 -0.197 0.000 2.191 60 L HA -0.139 4.201 4.340 -0.000 0.000 0.212 60 L C 2.068 178.765 176.870 -0.288 0.000 1.103 60 L CA 2.463 57.119 54.840 -0.306 0.000 0.769 60 L CB -1.387 40.623 42.059 -0.083 0.000 0.908 60 L HN 0.278 nan 8.230 nan 0.000 0.438 61 T N -0.081 114.317 114.554 -0.261 0.000 2.821 61 T HA -0.134 4.215 4.350 -0.000 0.000 0.267 61 T C 1.879 176.413 174.700 -0.278 0.000 1.046 61 T CA 1.670 63.587 62.100 -0.304 0.000 1.139 61 T CB -0.180 68.371 68.868 -0.527 0.000 0.871 61 T HN 0.471 nan 8.240 nan 0.000 0.454 62 R N 0.454 120.782 120.500 -0.287 0.000 2.075 62 R HA 0.008 4.347 4.340 -0.000 0.000 0.232 62 R C 2.202 178.369 176.300 -0.222 0.000 1.126 62 R CA 1.004 56.974 56.100 -0.217 0.000 0.963 62 R CB -0.692 29.499 30.300 -0.182 0.000 0.858 62 R HN 0.300 nan 8.270 nan 0.000 0.435 63 I N 1.863 122.231 120.570 -0.337 0.000 2.076 63 I HA -0.296 3.874 4.170 -0.000 0.000 0.237 63 I C 2.212 178.227 176.117 -0.170 0.000 1.059 63 I CA 1.695 62.829 61.300 -0.276 0.000 1.317 63 I CB -0.439 37.353 38.000 -0.348 0.000 1.037 63 I HN 0.024 nan 8.210 nan 0.000 0.398 64 K N 0.137 120.438 120.400 -0.164 0.000 2.127 64 K HA -0.194 4.126 4.320 -0.000 0.000 0.208 64 K C 2.098 178.656 176.600 -0.069 0.000 1.047 64 K CA 1.462 57.686 56.287 -0.106 0.000 0.927 64 K CB -0.459 31.979 32.500 -0.104 0.000 0.716 64 K HN 0.301 nan 8.250 nan 0.000 0.450 65 L N 0.271 121.453 121.223 -0.070 0.000 2.083 65 L HA -0.201 4.138 4.340 -0.000 0.000 0.209 65 L C 2.144 178.999 176.870 -0.025 0.000 1.083 65 L CA 0.649 55.475 54.840 -0.024 0.000 0.752 65 L CB -0.351 41.704 42.059 -0.007 0.000 0.899 65 L HN 0.128 nan 8.230 nan 0.000 0.433 66 L N -0.821 120.373 121.223 -0.048 0.000 2.056 66 L HA -0.175 4.165 4.340 -0.000 0.000 0.207 66 L C 1.891 178.741 176.870 -0.034 0.000 1.078 66 L CA 1.487 56.303 54.840 -0.039 0.000 0.749 66 L CB -0.586 41.442 42.059 -0.052 0.000 0.901 66 L HN 0.161 nan 8.230 nan 0.000 0.433 67 L N -0.867 120.330 121.223 -0.043 0.000 2.612 67 L HA 0.093 4.432 4.340 -0.000 0.000 0.230 67 L C 0.872 177.728 176.870 -0.023 0.000 1.140 67 L CA 0.447 55.264 54.840 -0.038 0.000 0.896 67 L CB -1.111 40.918 42.059 -0.050 0.000 1.065 67 L HN 0.093 nan 8.230 nan 0.000 0.447 68 K N 2.380 122.774 120.400 -0.010 0.000 2.253 68 K HA 0.338 4.657 4.320 -0.000 0.000 0.277 68 K C -2.251 174.364 176.600 0.024 0.000 1.053 68 K CA -1.604 54.692 56.287 0.015 0.000 0.892 68 K CB 1.198 33.714 32.500 0.027 0.000 1.102 68 K HN -0.076 nan 8.250 nan 0.000 0.469 69 P HA 0.034 nan 4.420 nan 0.000 0.274 69 P C -0.385 176.952 177.300 0.061 0.000 1.231 69 P CA -0.353 62.772 63.100 0.041 0.000 0.790 69 P CB 0.798 32.526 31.700 0.047 0.000 0.951 70 T N -0.940 113.646 114.554 0.055 0.000 2.860 70 T HA 0.160 4.510 4.350 -0.000 0.000 0.299 70 T C -1.734 173.020 174.700 0.091 0.000 1.045 70 T CA -1.250 60.887 62.100 0.061 0.000 1.071 70 T CB -0.063 68.831 68.868 0.044 0.000 0.985 70 T HN 0.161 nan 8.240 nan 0.000 0.537 71 P HA -0.094 nan 4.420 nan 0.000 0.216 71 P C 1.446 178.838 177.300 0.154 0.000 1.150 71 P CA 0.914 64.083 63.100 0.114 0.000 0.843 71 P CB -0.005 31.741 31.700 0.076 0.000 0.787 72 N N -1.464 117.316 118.700 0.133 0.000 2.188 72 N HA -0.079 4.661 4.740 -0.000 0.000 0.184 72 N C 1.659 177.296 175.510 0.212 0.000 1.018 72 N CA 1.369 54.529 53.050 0.182 0.000 0.858 72 N CB -0.925 37.638 38.487 0.126 0.000 0.989 72 N HN 0.159 nan 8.380 nan 0.000 0.426 73 T N 1.281 115.923 114.554 0.148 0.000 2.701 73 T HA -0.047 4.303 4.350 -0.000 0.000 0.263 73 T C 2.220 177.050 174.700 0.217 0.000 1.040 73 T CA 0.959 63.142 62.100 0.139 0.000 1.147 73 T CB -0.296 68.618 68.868 0.077 0.000 0.865 73 T HN -0.054 nan 8.240 nan 0.000 0.426 74 V N 1.338 121.370 119.914 0.196 0.000 2.332 74 V HA -0.245 3.875 4.120 -0.000 0.000 0.248 74 V C 2.320 178.559 176.094 0.240 0.000 1.055 74 V CA 1.952 64.374 62.300 0.203 0.000 1.038 74 V CB -0.820 31.116 31.823 0.188 0.000 0.651 74 V HN 0.664 nan 8.190 nan 0.000 0.450 75 H N -1.392 117.780 119.070 0.171 0.000 2.387 75 H HA -0.264 4.292 4.556 -0.000 0.000 0.299 75 H C 2.320 177.785 175.328 0.228 0.000 1.099 75 H CA 2.347 58.509 56.048 0.191 0.000 1.315 75 H CB -0.047 29.833 29.762 0.196 0.000 1.380 75 H HN 0.548 nan 8.280 nan 0.000 0.513 76 Y N 1.176 121.511 120.300 0.059 0.000 2.145 76 Y HA -0.196 4.354 4.550 -0.000 0.000 0.286 76 Y C 2.495 178.474 175.900 0.131 0.000 1.145 76 Y CA 1.847 59.916 58.100 -0.051 0.000 1.148 76 Y CB -0.393 37.996 38.460 -0.120 0.000 0.981 76 Y HN 0.131 nan 8.280 nan 0.000 0.507 77 I N -0.615 120.197 120.570 0.403 0.000 2.394 77 I HA -0.268 3.902 4.170 -0.000 0.000 0.251 77 I C 1.784 178.279 176.117 0.631 0.000 1.136 77 I CA 0.502 62.170 61.300 0.613 0.000 1.425 77 I CB -0.280 37.971 38.000 0.419 0.000 1.079 77 I HN 0.265 nan 8.210 nan 0.000 0.425 78 L N 0.341 121.702 121.223 0.231 0.000 2.313 78 L HA -0.056 4.284 4.340 -0.000 0.000 0.214 78 L C 2.320 179.090 176.870 -0.166 0.000 1.119 78 L CA 1.928 56.668 54.840 -0.168 0.000 0.809 78 L CB -1.329 40.367 42.059 -0.605 0.000 0.933 78 L HN 0.398 nan 8.230 nan 0.000 0.449 79 T N -4.971 109.552 114.554 -0.053 0.000 3.092 79 T HA 0.208 4.557 4.350 -0.000 0.000 0.258 79 T C 0.438 175.002 174.700 -0.227 0.000 1.031 79 T CA -0.229 61.705 62.100 -0.277 0.000 0.925 79 T CB 0.028 68.675 68.868 -0.369 0.000 1.036 79 T HN 0.168 nan 8.240 nan 0.000 0.544 80 H N -0.533 118.522 119.070 -0.025 0.000 2.949 80 H HA 0.597 5.153 4.556 -0.000 0.000 0.310 80 H C -0.505 174.967 175.328 0.239 0.000 1.405 80 H CA -2.069 53.864 56.048 -0.190 0.000 1.253 80 H CB 0.347 29.446 29.762 -1.105 0.000 1.932 80 H HN 0.048 nan 8.280 nan 0.000 0.602 81 F N -0.787 119.321 119.950 0.263 0.000 3.039 81 F HA -0.260 4.267 4.527 -0.000 0.000 0.287 81 F C 1.586 177.460 175.800 0.123 0.000 0.956 81 F CA 0.691 58.759 58.000 0.113 0.000 0.971 81 F CB -1.184 37.812 39.000 -0.008 0.000 0.943 81 F HN 0.530 nan 8.300 nan 0.000 0.766 82 K N 1.104 121.556 120.400 0.086 0.000 2.218 82 K HA -0.117 4.203 4.320 -0.000 0.000 0.205 82 K C 2.192 178.809 176.600 0.028 0.000 1.046 82 K CA 1.658 57.862 56.287 -0.137 0.000 0.933 82 K CB -0.455 31.665 32.500 -0.633 0.000 0.728 82 K HN 0.592 nan 8.250 nan 0.000 0.454 83 G N -0.031 108.784 108.800 0.025 0.000 2.403 83 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.216 83 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.216 83 G C 1.402 176.310 174.900 0.013 0.000 1.154 83 G CA 0.659 45.770 45.100 0.017 0.000 0.784 83 G HN 0.185 nan 8.290 nan 0.000 0.538 84 V N -0.315 119.581 119.914 -0.029 0.000 2.307 84 V HA -0.141 3.978 4.120 -0.000 0.000 0.245 84 V C 2.404 178.420 176.094 -0.130 0.000 1.045 84 V CA 1.536 63.739 62.300 -0.162 0.000 1.024 84 V CB -0.771 30.828 31.823 -0.374 0.000 0.651 84 V HN 0.577 nan 8.190 nan 0.000 0.449 85 W N 0.393 121.754 121.300 0.102 0.000 2.374 85 W HA -0.163 4.497 4.660 -0.000 0.000 0.288 85 W C 2.434 179.018 176.519 0.109 0.000 1.218 85 W CA 1.351 58.783 57.345 0.146 0.000 1.245 85 W CB -0.502 29.093 29.460 0.226 0.000 1.126 85 W HN 0.269 nan 8.180 nan 0.000 0.545 86 N N 0.493 119.345 118.700 0.253 0.000 2.166 86 N HA -0.169 4.571 4.740 -0.000 0.000 0.186 86 N C 1.502 177.082 175.510 0.116 0.000 1.019 86 N CA 1.692 54.833 53.050 0.152 0.000 0.856 86 N CB -0.250 38.286 38.487 0.082 0.000 0.993 86 N HN 0.047 nan 8.380 nan 0.000 0.426 87 I N -0.751 119.868 120.570 0.081 0.000 2.193 87 I HA -0.193 3.977 4.170 -0.000 0.000 0.240 87 I C 1.924 178.082 176.117 0.069 0.000 1.084 87 I CA 0.561 61.890 61.300 0.048 0.000 1.365 87 I CB -0.276 37.724 38.000 0.001 0.000 1.064 87 I HN -0.005 nan 8.210 nan 0.000 0.410 88 V N 1.460 121.426 119.914 0.087 0.000 2.282 88 V HA -0.313 3.807 4.120 -0.000 0.000 0.249 88 V C 2.063 178.282 176.094 0.208 0.000 1.057 88 V CA 2.028 64.406 62.300 0.130 0.000 1.032 88 V CB -0.930 31.021 31.823 0.212 0.000 0.645 88 V HN 0.467 nan 8.190 nan 0.000 0.447 89 N N 0.626 119.485 118.700 0.265 0.000 2.430 89 N HA -0.115 4.625 4.740 -0.000 0.000 0.186 89 N C 1.347 176.922 175.510 0.109 0.000 1.032 89 N CA 0.990 54.153 53.050 0.188 0.000 0.893 89 N CB -0.388 38.188 38.487 0.147 0.000 0.957 89 N HN 0.551 nan 8.380 nan 0.000 0.442 90 N N -0.008 118.751 118.700 0.099 0.000 2.205 90 N HA 0.165 4.905 4.740 -0.000 0.000 0.201 90 N C -0.298 175.255 175.510 0.072 0.000 1.128 90 N CA 0.030 53.123 53.050 0.073 0.000 0.867 90 N CB 1.249 39.773 38.487 0.062 0.000 0.996 90 N HN 0.203 nan 8.380 nan 0.000 0.503 91 I N 2.095 122.707 120.570 0.070 0.000 2.361 91 I HA 0.207 4.376 4.170 -0.000 0.000 0.282 91 I C -1.560 174.595 176.117 0.063 0.000 1.075 91 I CA -1.945 59.396 61.300 0.069 0.000 1.205 91 I CB 1.833 39.850 38.000 0.028 0.000 1.406 91 I HN -0.291 nan 8.210 nan 0.000 0.481 92 P HA -0.290 nan 4.420 nan 0.000 0.219 92 P C 1.583 178.969 177.300 0.144 0.000 1.158 92 P CA 1.842 65.014 63.100 0.120 0.000 0.895 92 P CB -0.007 31.773 31.700 0.133 0.000 0.792 93 F N -1.510 118.485 119.950 0.075 0.000 2.325 93 F HA 0.001 4.527 4.527 -0.000 0.000 0.299 93 F C 1.887 177.737 175.800 0.084 0.000 1.090 93 F CA 0.930 58.972 58.000 0.070 0.000 1.392 93 F CB -1.149 37.883 39.000 0.053 0.000 1.053 93 F HN -0.202 nan 8.300 nan 0.000 0.521 94 L N 0.362 121.124 121.223 -0.769 0.000 2.044 94 L HA -0.079 4.261 4.340 -0.000 0.000 0.205 94 L C 2.934 179.722 176.870 -0.137 0.000 1.075 94 L CA 1.340 55.786 54.840 -0.657 0.000 0.747 94 L CB -0.532 41.237 42.059 -0.482 0.000 0.903 94 L HN 0.150 nan 8.230 nan 0.000 0.435 95 R N -0.445 120.090 120.500 0.059 0.000 2.103 95 R HA -0.191 4.148 4.340 -0.000 0.000 0.242 95 R C 2.324 178.795 176.300 0.285 0.000 1.142 95 R CA 2.028 58.319 56.100 0.318 0.000 0.960 95 R CB -0.130 30.301 30.300 0.219 0.000 0.858 95 R HN 0.233 nan 8.270 nan 0.000 0.439 96 S N 0.884 116.672 115.700 0.147 0.000 2.382 96 S HA -0.124 4.346 4.470 -0.000 0.000 0.228 96 S C 1.782 176.455 174.600 0.122 0.000 1.027 96 S CA 1.064 59.344 58.200 0.134 0.000 0.991 96 S CB -0.204 63.069 63.200 0.121 0.000 0.823 96 S HN 0.363 nan 8.310 nan 0.000 0.469 97 L N 1.229 122.496 121.223 0.073 0.000 2.056 97 L HA -0.098 4.241 4.340 -0.000 0.000 0.207 97 L C 1.884 178.793 176.870 0.065 0.000 1.078 97 L CA 1.199 56.073 54.840 0.056 0.000 0.749 97 L CB -0.261 41.781 42.059 -0.027 0.000 0.901 97 L HN 0.273 nan 8.230 nan 0.000 0.433 98 I N -0.738 119.850 120.570 0.030 0.000 2.202 98 I HA -0.293 3.877 4.170 -0.000 0.000 0.242 98 I C 2.515 178.689 176.117 0.096 0.000 1.091 98 I CA 1.378 62.640 61.300 -0.063 0.000 1.368 98 I CB -0.967 36.697 38.000 -0.559 0.000 1.058 98 I HN 0.402 nan 8.210 nan 0.000 0.410 99 M N 1.321 121.084 119.600 0.272 0.000 2.159 99 M HA -0.200 4.280 4.480 -0.000 0.000 0.263 99 M C 2.227 178.620 176.300 0.154 0.000 1.063 99 M CA 1.751 57.239 55.300 0.314 0.000 1.110 99 M CB -0.562 32.235 32.600 0.328 0.000 1.374 99 M HN 0.091 nan 8.290 nan 0.000 0.411 100 K N -1.221 119.254 120.400 0.126 0.000 2.103 100 K HA -0.253 4.066 4.320 -0.000 0.000 0.207 100 K C 2.133 178.788 176.600 0.092 0.000 1.048 100 K CA 1.856 58.189 56.287 0.077 0.000 0.930 100 K CB -0.584 31.965 32.500 0.080 0.000 0.716 100 K HN 0.530 nan 8.250 nan 0.000 0.444 101 Y N 1.041 121.353 120.300 0.020 0.000 2.242 101 Y HA -0.165 4.385 4.550 -0.000 0.000 0.291 101 Y C 1.879 177.801 175.900 0.038 0.000 1.137 101 Y CA 1.413 59.523 58.100 0.017 0.000 1.181 101 Y CB -0.387 38.065 38.460 -0.013 0.000 0.989 101 Y HN -0.028 nan 8.280 nan 0.000 0.527 102 V N -0.655 119.092 119.914 -0.278 0.000 2.427 102 V HA -0.162 3.958 4.120 -0.000 0.000 0.248 102 V C 2.028 178.024 176.094 -0.163 0.000 1.051 102 V CA 1.687 63.785 62.300 -0.336 0.000 1.048 102 V CB -0.831 30.970 31.823 -0.037 0.000 0.666 102 V HN 0.388 nan 8.190 nan 0.000 0.456 103 L N 1.994 123.176 121.223 -0.068 0.000 1.994 103 L HA -0.088 4.251 4.340 -0.000 0.000 0.208 103 L C 3.032 179.882 176.870 -0.033 0.000 1.071 103 L CA 2.967 57.779 54.840 -0.047 0.000 0.745 103 L CB -1.529 40.483 42.059 -0.078 0.000 0.892 103 L HN 0.735 nan 8.230 nan 0.000 0.431 104 T N -3.773 110.763 114.554 -0.030 0.000 2.770 104 T HA -0.140 4.210 4.350 -0.000 0.000 0.263 104 T C 2.066 176.819 174.700 0.089 0.000 1.039 104 T CA 1.292 63.421 62.100 0.047 0.000 1.142 104 T CB -0.880 68.025 68.868 0.062 0.000 0.868 104 T HN 0.385 nan 8.240 nan 0.000 0.435 105 S N 1.689 117.380 115.700 -0.015 0.000 2.383 105 S HA -0.127 4.343 4.470 -0.000 0.000 0.229 105 S C 2.231 176.932 174.600 0.168 0.000 1.030 105 S CA 0.922 59.176 58.200 0.089 0.000 1.002 105 S CB -0.470 62.613 63.200 -0.196 0.000 0.829 105 S HN 0.357 nan 8.310 nan 0.000 0.467 106 R N 1.466 121.969 120.500 0.006 0.000 2.062 106 R HA 0.216 4.556 4.340 -0.000 0.000 0.229 106 R C 2.714 178.976 176.300 -0.063 0.000 1.128 106 R CA 1.563 57.639 56.100 -0.040 0.000 0.960 106 R CB -0.927 29.358 30.300 -0.025 0.000 0.855 106 R HN 0.477 nan 8.270 nan 0.000 0.432 107 S N 0.038 115.766 115.700 0.046 0.000 2.419 107 S HA -0.166 4.303 4.470 -0.000 0.000 0.233 107 S C 1.528 176.137 174.600 0.015 0.000 1.016 107 S CA 1.183 59.428 58.200 0.075 0.000 0.974 107 S CB -0.407 62.959 63.200 0.278 0.000 0.786 107 S HN 0.567 nan 8.310 nan 0.000 0.492 108 Y N 0.722 121.022 120.300 -0.001 0.000 2.639 108 Y HA 0.140 4.689 4.550 -0.000 0.000 0.297 108 Y C 1.463 177.320 175.900 -0.071 0.000 1.151 108 Y CA 0.389 58.472 58.100 -0.028 0.000 1.335 108 Y CB -0.312 38.140 38.460 -0.014 0.000 0.994 108 Y HN 0.093 nan 8.280 nan 0.000 0.548 109 L N 0.813 121.610 121.223 -0.711 0.000 2.492 109 L HA 0.114 4.454 4.340 -0.000 0.000 0.223 109 L C 0.315 176.922 176.870 -0.439 0.000 1.132 109 L CA 0.389 54.787 54.840 -0.738 0.000 0.850 109 L CB -0.499 41.168 42.059 -0.652 0.000 0.966 109 L HN 0.251 nan 8.230 nan 0.000 0.454 110 I N 0.300 120.718 120.570 -0.253 0.000 2.359 110 I HA 0.188 4.358 4.170 -0.000 0.000 0.294 110 I C -0.116 175.936 176.117 -0.107 0.000 0.987 110 I CA -0.931 60.283 61.300 -0.142 0.000 1.225 110 I CB 1.277 39.236 38.000 -0.069 0.000 1.366 110 I HN -0.103 nan 8.210 nan 0.000 0.466 111 D N 4.170 124.521 120.400 -0.082 0.000 2.343 111 D HA 0.221 4.861 4.640 -0.000 0.000 0.255 111 D C 0.031 176.280 176.300 -0.085 0.000 1.187 111 D CA 0.436 54.384 54.000 -0.086 0.000 0.875 111 D CB 1.068 41.809 40.800 -0.098 0.000 1.136 111 D HN 0.386 nan 8.370 nan 0.000 0.469 112 S N 2.468 118.109 115.700 -0.100 0.000 2.706 112 S HA 0.379 4.849 4.470 -0.000 0.000 0.270 112 S C -2.731 171.805 174.600 -0.105 0.000 1.163 112 S CA -1.252 56.882 58.200 -0.110 0.000 1.042 112 S CB 0.823 63.926 63.200 -0.162 0.000 1.079 112 S HN 0.027 nan 8.310 nan 0.000 0.474 113 P HA 0.207 nan 4.420 nan 0.000 0.266 113 P C -2.481 174.790 177.300 -0.049 0.000 1.193 113 P CA -0.662 62.424 63.100 -0.025 0.000 0.770 113 P CB -0.170 31.521 31.700 -0.015 0.000 0.836 114 P HA 0.049 nan 4.420 nan 0.000 0.274 114 P C 0.082 177.301 177.300 -0.135 0.000 1.256 114 P CA -0.020 63.025 63.100 -0.092 0.000 0.795 114 P CB 0.753 32.381 31.700 -0.120 0.000 1.038 115 T N -2.071 112.342 114.554 -0.235 0.000 3.257 115 T HA 0.211 4.560 4.350 -0.000 0.000 0.176 115 T C 0.605 175.068 174.700 -0.395 0.000 0.892 115 T CA 0.043 61.880 62.100 -0.439 0.000 1.147 115 T CB -0.837 67.536 68.868 -0.825 0.000 1.840 115 T HN 0.273 nan 8.240 nan 0.000 0.375 116 Y N 3.595 123.851 120.300 -0.074 0.000 2.298 116 Y HA 0.581 5.130 4.550 -0.001 0.000 0.329 116 Y C 0.869 176.698 175.900 -0.118 0.000 1.293 116 Y CA -0.613 57.431 58.100 -0.092 0.000 1.388 116 Y CB 0.541 38.964 38.460 -0.061 0.000 1.309 116 Y HN 0.731 nan 8.280 nan 0.000 0.544 117 N N -2.402 116.318 118.700 0.034 0.000 3.316 117 N HA 0.126 4.866 4.740 -0.000 0.000 0.300 117 N C -0.340 175.122 175.510 -0.081 0.000 1.567 117 N CA -0.747 52.246 53.050 -0.094 0.000 0.821 117 N CB 0.524 38.789 38.487 -0.369 0.000 1.748 117 N HN 0.411 nan 8.380 nan 0.000 0.603 118 V N -0.348 119.492 119.914 -0.123 0.000 2.720 118 V HA -0.142 3.978 4.120 -0.000 0.000 0.256 118 V C 0.950 177.011 176.094 -0.054 0.000 1.082 118 V CA 1.886 64.132 62.300 -0.089 0.000 1.101 118 V CB -0.984 30.750 31.823 -0.149 0.000 0.693 118 V HN 0.702 nan 8.190 nan 0.000 0.479 119 H N -2.913 116.098 119.070 -0.099 0.000 2.705 119 H HA 0.254 4.810 4.556 -0.001 0.000 0.269 119 H C -0.566 174.380 175.328 -0.635 0.000 0.998 119 H CA -0.098 55.784 56.048 -0.276 0.000 1.193 119 H CB 0.530 30.155 29.762 -0.228 0.000 1.485 119 H HN 0.469 nan 8.280 nan 0.000 0.521 120 Y N -0.160 120.059 120.300 -0.135 0.000 2.332 120 Y HA 0.308 4.858 4.550 -0.000 0.000 0.326 120 Y C 0.848 176.616 175.900 -0.220 0.000 0.978 120 Y CA -0.817 57.080 58.100 -0.338 0.000 1.205 120 Y CB 1.880 40.068 38.460 -0.453 0.000 1.131 120 Y HN 0.075 nan 8.280 nan 0.000 0.462 121 G N 2.332 111.054 108.800 -0.129 0.000 3.141 121 G HA2 0.110 4.070 3.960 -0.000 0.000 0.218 121 G HA3 0.110 4.070 3.960 -0.000 0.000 0.218 121 G C -0.410 174.494 174.900 0.006 0.000 1.170 121 G CA 0.190 45.203 45.100 -0.144 0.000 0.769 121 G HN 0.572 nan 8.290 nan 0.000 0.546 122 Y N -2.016 118.440 120.300 0.260 0.000 2.545 122 Y HA 0.706 5.256 4.550 -0.000 0.000 0.348 122 Y C -0.116 175.992 175.900 0.348 0.000 1.002 122 Y CA -2.203 56.099 58.100 0.336 0.000 1.039 122 Y CB 1.076 39.651 38.460 0.191 0.000 1.271 122 Y HN -0.241 nan 8.280 nan 0.000 0.467 123 K N 2.068 122.673 120.400 0.343 0.000 2.382 123 K HA 0.474 4.794 4.320 -0.000 0.000 0.275 123 K C -0.410 176.265 176.600 0.124 0.000 1.009 123 K CA 0.250 56.581 56.287 0.073 0.000 0.970 123 K CB 0.595 33.091 32.500 -0.007 0.000 0.934 123 K HN 0.920 nan 8.250 nan 0.000 0.479 124 S N 0.809 116.473 115.700 -0.060 0.000 2.570 124 S HA 0.181 4.651 4.470 -0.000 0.000 0.270 124 S C 0.004 174.572 174.600 -0.053 0.000 1.149 124 S CA -1.124 57.048 58.200 -0.048 0.000 0.837 124 S CB 0.624 63.642 63.200 -0.305 0.000 1.124 124 S HN 0.898 nan 8.310 nan 0.000 0.465 125 W N 1.194 122.447 121.300 -0.078 0.000 2.425 125 W HA -0.060 4.600 4.660 -0.000 0.000 0.277 125 W C 1.530 178.031 176.519 -0.030 0.000 1.231 125 W CA 2.127 59.474 57.345 0.003 0.000 1.248 125 W CB -0.066 29.406 29.460 0.021 0.000 1.117 125 W HN 1.048 nan 8.180 nan 0.000 0.568 126 E N 0.899 121.035 120.200 -0.106 0.000 2.047 126 E HA -0.154 4.196 4.350 -0.000 0.000 0.191 126 E C 2.218 178.601 176.600 -0.363 0.000 0.987 126 E CA 2.364 58.643 56.400 -0.202 0.000 0.799 126 E CB -0.669 28.871 29.700 -0.267 0.000 0.752 126 E HN 0.066 nan 8.360 nan 0.000 0.449 127 A N -0.130 122.342 122.820 -0.580 0.000 1.898 127 A HA -0.082 4.237 4.320 -0.000 0.000 0.216 127 A C 2.184 179.543 177.584 -0.376 0.000 1.181 127 A CA 1.319 53.056 52.037 -0.501 0.000 0.620 127 A CB -0.931 17.794 19.000 -0.457 0.000 0.819 127 A HN 0.476 nan 8.150 nan 0.000 0.442 128 F N 2.090 121.740 119.950 -0.500 0.000 2.102 128 F HA -0.175 4.351 4.527 -0.000 0.000 0.298 128 F C 2.585 178.053 175.800 -0.554 0.000 1.105 128 F CA 2.155 59.822 58.000 -0.555 0.000 1.239 128 F CB -0.345 38.203 39.000 -0.752 0.000 0.991 128 F HN 0.283 nan 8.300 nan 0.000 0.474 129 S N -0.846 114.357 115.700 -0.828 0.000 2.458 129 S HA -0.006 4.464 4.470 -0.000 0.000 0.223 129 S C 0.938 175.305 174.600 -0.388 0.000 1.019 129 S CA 0.078 57.830 58.200 -0.747 0.000 0.937 129 S CB -0.702 62.233 63.200 -0.441 0.000 0.788 129 S HN 0.369 nan 8.310 nan 0.000 0.511 130 N N 1.988 120.558 118.700 -0.216 0.000 2.415 130 N HA 0.247 4.986 4.740 -0.000 0.000 0.250 130 N C 0.417 175.944 175.510 0.028 0.000 1.127 130 N CA -0.159 52.900 53.050 0.016 0.000 0.945 130 N CB 0.401 39.056 38.487 0.279 0.000 1.196 130 N HN 0.381 nan 8.380 nan 0.000 0.499 131 L N 1.537 122.742 121.223 -0.031 0.000 2.551 131 L HA -0.011 4.329 4.340 -0.000 0.000 0.228 131 L C 1.692 178.654 176.870 0.154 0.000 1.153 131 L CA 0.322 55.169 54.840 0.011 0.000 0.851 131 L CB -0.055 42.000 42.059 -0.007 0.000 0.959 131 L HN 0.390 nan 8.230 nan 0.000 0.451 132 S N -1.601 114.155 115.700 0.094 0.000 2.489 132 S HA 0.023 4.493 4.470 -0.000 0.000 0.228 132 S C 0.371 174.973 174.600 0.004 0.000 0.995 132 S CA 0.221 58.443 58.200 0.037 0.000 0.934 132 S CB -0.108 63.109 63.200 0.029 0.000 0.771 132 S HN 0.227 nan 8.310 nan 0.000 0.522 133 Y N 0.494 120.771 120.300 -0.039 0.000 2.301 133 Y HA 0.326 4.875 4.550 -0.000 0.000 0.325 133 Y C 0.126 175.941 175.900 -0.142 0.000 1.203 133 Y CA -1.039 56.906 58.100 -0.259 0.000 1.255 133 Y CB 0.327 38.630 38.460 -0.262 0.000 1.232 133 Y HN 0.057 nan 8.280 nan 0.000 0.501 134 Y N 0.930 121.270 120.300 0.067 0.000 2.411 134 Y HA 0.070 4.620 4.550 -0.001 0.000 0.333 134 Y C 1.041 176.967 175.900 0.043 0.000 1.186 134 Y CA 0.035 58.189 58.100 0.090 0.000 1.381 134 Y CB 0.515 38.986 38.460 0.019 0.000 1.273 134 Y HN 0.555 nan 8.280 nan 0.000 0.546 135 T N 3.191 117.859 114.554 0.191 0.000 2.770 135 T HA 0.421 4.770 4.350 -0.000 0.000 0.281 135 T C -0.334 174.419 174.700 0.088 0.000 0.981 135 T CA -0.673 61.467 62.100 0.066 0.000 0.955 135 T CB 0.339 69.209 68.868 0.003 0.000 1.060 135 T HN 0.443 nan 8.240 nan 0.000 0.531 136 R N 0.871 121.426 120.500 0.091 0.000 2.502 136 R HA 0.527 4.867 4.340 -0.000 0.000 0.300 136 R C 0.675 177.098 176.300 0.205 0.000 0.984 136 R CA -0.419 55.754 56.100 0.122 0.000 0.882 136 R CB 1.365 31.726 30.300 0.102 0.000 1.180 136 R HN 0.721 nan 8.270 nan 0.000 0.444 137 A N 3.817 126.806 122.820 0.281 0.000 1.969 137 A HA 0.067 4.387 4.320 -0.000 0.000 0.218 137 A C 0.707 178.422 177.584 0.219 0.000 1.169 137 A CA 1.079 53.326 52.037 0.351 0.000 0.635 137 A CB 0.169 19.576 19.000 0.678 0.000 0.810 137 A HN 0.485 nan 8.150 nan 0.000 0.445 138 L N 0.206 121.520 121.223 0.153 0.000 2.381 138 L HA 0.380 4.720 4.340 -0.000 0.000 0.268 138 L C -2.522 174.277 176.870 -0.118 0.000 0.997 138 L CA -2.581 52.206 54.840 -0.089 0.000 0.818 138 L CB 2.651 44.436 42.059 -0.456 0.000 1.310 138 L HN 0.003 nan 8.230 nan 0.000 0.416 139 P HA 0.172 nan 4.420 nan 0.000 0.272 139 P C -2.712 174.465 177.300 -0.206 0.000 1.230 139 P CA -1.351 61.508 63.100 -0.402 0.000 0.788 139 P CB -0.242 30.959 31.700 -0.832 0.000 0.949 140 P HA 0.032 nan 4.420 nan 0.000 0.272 140 P C -0.249 177.024 177.300 -0.045 0.000 1.230 140 P CA -0.022 63.059 63.100 -0.031 0.000 0.788 140 P CB 0.352 32.060 31.700 0.013 0.000 0.949 141 V N 1.853 121.768 119.914 0.001 0.000 2.529 141 V HA 0.157 4.276 4.120 -0.000 0.000 0.292 141 V C 1.219 177.319 176.094 0.009 0.000 1.028 141 V CA -0.115 62.184 62.300 -0.002 0.000 1.074 141 V CB -0.109 31.731 31.823 0.027 0.000 0.958 141 V HN 0.743 nan 8.190 nan 0.000 0.481 142 A N 3.889 126.709 122.820 -0.001 0.000 2.520 142 A HA 0.092 4.411 4.320 -0.000 0.000 0.235 142 A C 1.180 178.780 177.584 0.027 0.000 1.065 142 A CA -0.201 51.845 52.037 0.016 0.000 0.764 142 A CB -0.037 18.974 19.000 0.017 0.000 1.002 142 A HN 0.896 nan 8.150 nan 0.000 0.502 143 D N 0.386 120.806 120.400 0.033 0.000 2.218 143 D HA -0.117 4.522 4.640 -0.000 0.000 0.204 143 D C 0.865 177.186 176.300 0.034 0.000 0.976 143 D CA 1.769 55.791 54.000 0.036 0.000 0.853 143 D CB 0.040 40.860 40.800 0.034 0.000 0.939 143 D HN 0.761 nan 8.370 nan 0.000 0.481 144 D N -0.450 119.971 120.400 0.034 0.000 2.388 144 D HA -0.019 4.620 4.640 -0.000 0.000 0.221 144 D C -0.037 176.283 176.300 0.033 0.000 1.133 144 D CA -0.393 53.628 54.000 0.035 0.000 0.831 144 D CB -0.888 39.937 40.800 0.043 0.000 0.962 144 D HN -0.038 nan 8.370 nan 0.000 0.502 145 c N 2.294 120.911 118.600 0.028 0.000 2.652 145 c HA 0.211 4.781 4.570 -0.000 0.000 0.412 145 c C -0.318 173.787 174.090 0.026 0.000 1.294 145 c CA -0.979 55.364 56.329 0.023 0.000 2.127 145 c CB 1.384 43.903 42.510 0.016 0.000 2.691 145 c HN 0.293 nan 8.230 nan 0.000 0.615 146 P HA -0.029 nan 4.420 nan 0.000 0.221 146 P C 0.428 177.745 177.300 0.027 0.000 1.150 146 P CA 1.415 64.530 63.100 0.025 0.000 0.800 146 P CB -0.038 31.676 31.700 0.023 0.000 0.787 147 T N -5.851 108.721 114.554 0.030 0.000 2.916 147 T HA 0.467 4.816 4.350 -0.000 0.000 0.292 147 T C -2.386 172.340 174.700 0.044 0.000 1.064 147 T CA -2.211 59.911 62.100 0.037 0.000 1.011 147 T CB 1.938 70.831 68.868 0.041 0.000 1.152 147 T HN -0.337 nan 8.240 nan 0.000 0.510 148 P HA -0.027 nan 4.420 nan 0.000 0.216 148 P C 1.277 178.621 177.300 0.074 0.000 1.150 148 P CA 1.135 64.275 63.100 0.066 0.000 0.843 148 P CB 0.010 31.756 31.700 0.076 0.000 0.787 149 M N -2.664 116.980 119.600 0.074 0.000 2.428 149 M HA 0.295 4.775 4.480 -0.000 0.000 0.239 149 M C 1.342 177.662 176.300 0.034 0.000 1.121 149 M CA 0.606 55.948 55.300 0.069 0.000 1.019 149 M CB -0.469 32.181 32.600 0.083 0.000 1.485 149 M HN 0.101 nan 8.290 nan 0.000 0.484 150 G N 0.390 109.206 108.800 0.027 0.000 1.929 150 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.219 150 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.219 150 G C 0.362 175.267 174.900 0.008 0.000 2.200 150 G CA 0.345 45.447 45.100 0.004 0.000 1.552 150 G HN 0.351 nan 8.290 nan 0.000 0.498 151 V N -1.315 118.602 119.914 0.006 0.000 3.539 151 V HA 0.535 4.655 4.120 -0.000 0.000 0.262 151 V C 0.782 176.889 176.094 0.022 0.000 1.381 151 V CA 1.195 63.502 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 0.416 nan 8.190 nan 0.000 0.445 152 K N 1.519 121.935 120.400 0.026 0.000 2.126 152 K HA 0.610 4.930 4.320 -0.000 0.000 0.257 152 K C 0.696 177.330 176.600 0.058 0.000 1.007 152 K CA 0.607 56.918 56.287 0.040 0.000 0.928 152 K CB 0.960 33.483 32.500 0.039 0.000 1.013 152 K HN 0.715 nan 8.250 nan 0.000 0.473 153 G N 1.255 110.096 108.800 0.067 0.000 2.681 153 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.220 153 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.220 153 G C -0.803 174.132 174.900 0.058 0.000 1.353 153 G CA -0.790 44.359 45.100 0.081 0.000 0.872 153 G HN 0.616 nan 8.290 nan 0.000 0.557 154 N N 0.252 118.984 118.700 0.053 0.000 2.458 154 N HA 0.353 5.093 4.740 -0.000 0.000 0.271 154 N C 1.357 176.886 175.510 0.031 0.000 1.210 154 N CA -0.544 52.526 53.050 0.033 0.000 0.978 154 N CB 0.859 39.357 38.487 0.019 0.000 1.206 154 N HN 0.502 nan 8.380 nan 0.000 0.536 155 K N 0.717 121.130 120.400 0.022 0.000 2.281 155 K HA -0.052 4.268 4.320 -0.000 0.000 0.203 155 K C -0.191 176.421 176.600 0.021 0.000 1.046 155 K CA 1.296 57.596 56.287 0.021 0.000 0.938 155 K CB 0.001 32.510 32.500 0.016 0.000 0.737 155 K HN 0.592 nan 8.250 nan 0.000 0.458 156 E N 0.155 120.364 120.200 0.014 0.000 2.292 156 E HA 0.220 4.569 4.350 -0.000 0.000 0.272 156 E C -1.064 175.535 176.600 -0.002 0.000 0.881 156 E CA -0.769 55.636 56.400 0.008 0.000 0.754 156 E CB 1.711 31.409 29.700 -0.003 0.000 1.201 156 E HN -0.220 nan 8.360 nan 0.000 0.425 157 L N 3.250 124.476 121.223 0.005 0.000 2.482 157 L HA 0.222 4.562 4.340 -0.000 0.000 0.273 157 L C -1.837 174.974 176.870 -0.099 0.000 1.228 157 L CA -1.631 53.197 54.840 -0.019 0.000 0.827 157 L CB -0.743 41.340 42.059 0.040 0.000 1.099 157 L HN 0.468 nan 8.230 nan 0.000 0.494 158 P HA -0.025 nan 4.420 nan 0.000 0.269 158 P C -0.501 176.707 177.300 -0.153 0.000 1.215 158 P CA -0.432 62.511 63.100 -0.261 0.000 0.780 158 P CB 0.316 31.700 31.700 -0.528 0.000 0.898 159 D N 1.290 121.624 120.400 -0.110 0.000 2.581 159 D HA -0.074 4.566 4.640 -0.000 0.000 0.238 159 D C 1.210 177.479 176.300 -0.051 0.000 1.145 159 D CA 0.507 54.468 54.000 -0.064 0.000 0.866 159 D CB 0.708 41.475 40.800 -0.053 0.000 1.151 159 D HN 0.318 nan 8.370 nan 0.000 0.500 160 S N 4.022 119.708 115.700 -0.023 0.000 2.402 160 S HA -0.205 4.265 4.470 -0.000 0.000 0.229 160 S C 1.782 176.390 174.600 0.012 0.000 1.021 160 S CA 0.843 59.047 58.200 0.006 0.000 0.974 160 S CB -0.039 63.168 63.200 0.013 0.000 0.800 160 S HN 0.642 nan 8.310 nan 0.000 0.484 161 K N 1.186 121.585 120.400 -0.002 0.000 2.097 161 K HA -0.159 4.161 4.320 -0.000 0.000 0.206 161 K C 2.139 178.739 176.600 -0.002 0.000 1.049 161 K CA 1.641 57.928 56.287 0.000 0.000 0.933 161 K CB -0.199 32.296 32.500 -0.007 0.000 0.717 161 K HN 0.347 nan 8.250 nan 0.000 0.442 162 E N 0.129 120.320 120.200 -0.015 0.000 2.072 162 E HA -0.117 4.233 4.350 -0.000 0.000 0.191 162 E C 1.829 178.423 176.600 -0.009 0.000 0.985 162 E CA 1.118 57.505 56.400 -0.023 0.000 0.801 162 E CB 0.048 29.719 29.700 -0.048 0.000 0.750 162 E HN 0.121 nan 8.360 nan 0.000 0.452 163 V N 1.072 120.988 119.914 0.003 0.000 2.295 163 V HA -0.247 3.873 4.120 -0.000 0.000 0.246 163 V C 2.404 178.529 176.094 0.052 0.000 1.049 163 V CA 1.681 64.010 62.300 0.048 0.000 1.024 163 V CB -0.598 31.288 31.823 0.105 0.000 0.648 163 V HN 0.377 nan 8.190 nan 0.000 0.447 164 L N 0.016 121.271 121.223 0.053 0.000 1.978 164 L HA -0.294 4.045 4.340 -0.000 0.000 0.218 164 L C 2.676 179.566 176.870 0.032 0.000 1.075 164 L CA 2.410 57.282 54.840 0.054 0.000 0.767 164 L CB -0.425 41.662 42.059 0.046 0.000 0.890 164 L HN 0.452 nan 8.230 nan 0.000 0.434 165 E N -0.612 119.599 120.200 0.018 0.000 2.106 165 E HA -0.215 4.134 4.350 -0.000 0.000 0.192 165 E C 2.173 178.777 176.600 0.005 0.000 0.984 165 E CA 1.084 57.489 56.400 0.009 0.000 0.806 165 E CB 0.089 29.790 29.700 0.002 0.000 0.750 165 E HN 0.519 nan 8.360 nan 0.000 0.458 166 K N 0.267 120.669 120.400 0.003 0.000 2.116 166 K HA -0.056 4.264 4.320 -0.000 0.000 0.203 166 K C 2.050 178.649 176.600 -0.001 0.000 1.052 166 K CA 1.452 57.737 56.287 -0.003 0.000 0.952 166 K CB 0.431 32.925 32.500 -0.011 0.000 0.729 166 K HN 0.137 nan 8.250 nan 0.000 0.446 167 V N -3.081 116.838 119.914 0.008 0.000 3.485 167 V HA 0.165 4.285 4.120 -0.000 0.000 0.280 167 V C 1.329 177.422 176.094 -0.001 0.000 1.495 167 V CA -0.042 62.260 62.300 0.002 0.000 1.018 167 V CB -0.073 31.755 31.823 0.008 0.000 0.818 167 V HN 0.051 nan 8.190 nan 0.000 0.436 168 L N 0.062 121.292 121.223 0.012 0.000 2.362 168 L HA 0.400 4.740 4.340 -0.000 0.000 0.204 168 L C 0.945 177.830 176.870 0.026 0.000 1.060 168 L CA 0.292 55.142 54.840 0.016 0.000 0.827 168 L CB 0.154 42.237 42.059 0.041 0.000 1.027 168 L HN 0.199 nan 8.230 nan 0.000 0.474 169 L N 1.594 122.832 121.223 0.025 0.000 2.453 169 L HA 0.088 4.428 4.340 -0.000 0.000 0.272 169 L C 0.774 177.657 176.870 0.021 0.000 1.182 169 L CA 0.032 54.887 54.840 0.025 0.000 0.858 169 L CB 0.391 42.460 42.059 0.017 0.000 1.120 169 L HN 0.219 nan 8.230 nan 0.000 0.474 170 R N 3.194 123.713 120.500 0.031 0.000 2.489 170 R HA 0.098 4.437 4.340 -0.000 0.000 0.287 170 R C 0.600 176.917 176.300 0.029 0.000 1.053 170 R CA -0.371 55.749 56.100 0.034 0.000 1.036 170 R CB 0.723 31.064 30.300 0.068 0.000 0.966 170 R HN 0.623 nan 8.270 nan 0.000 0.432 171 R N 3.122 123.635 120.500 0.021 0.000 2.024 171 R HA 0.082 4.422 4.340 -0.000 0.000 0.216 171 R C 0.247 176.569 176.300 0.037 0.000 1.259 171 R CA 0.649 56.762 56.100 0.021 0.000 1.001 171 R CB -0.573 29.733 30.300 0.009 0.000 0.881 171 R HN 0.649 nan 8.270 nan 0.000 0.459 172 E N 0.756 120.976 120.200 0.034 0.000 2.179 172 E HA 0.174 4.523 4.350 -0.000 0.000 0.275 172 E C -1.233 175.415 176.600 0.080 0.000 0.945 172 E CA -0.718 55.718 56.400 0.059 0.000 0.792 172 E CB 1.067 30.787 29.700 0.033 0.000 1.125 172 E HN 0.019 nan 8.360 nan 0.000 0.397 173 F N 5.130 125.071 119.950 -0.016 0.000 2.602 173 F HA 0.105 4.631 4.527 -0.000 0.000 0.385 173 F C -0.504 175.280 175.800 -0.026 0.000 1.063 173 F CA 0.216 58.204 58.000 -0.020 0.000 1.233 173 F CB 0.268 39.252 39.000 -0.026 0.000 1.067 173 F HN 0.352 nan 8.300 nan 0.000 0.564 174 I N 9.354 129.517 120.570 -0.679 0.000 2.328 174 I HA 0.263 4.433 4.170 -0.000 0.000 0.287 174 I C -2.048 173.496 176.117 -0.956 0.000 1.012 174 I CA -2.188 58.752 61.300 -0.600 0.000 1.195 174 I CB 0.974 38.778 38.000 -0.326 0.000 1.350 174 I HN 0.439 nan 8.210 nan 0.000 0.464 175 P HA 0.042 nan 4.420 nan 0.000 0.274 175 P C -0.796 176.312 177.300 -0.319 0.000 1.231 175 P CA -0.285 62.496 63.100 -0.531 0.000 0.790 175 P CB 0.818 32.429 31.700 -0.149 0.000 0.951 176 D N 2.744 123.008 120.400 -0.227 0.000 2.371 176 D HA 0.049 4.689 4.640 -0.000 0.000 0.256 176 D C -1.183 175.013 176.300 -0.173 0.000 1.193 176 D CA -1.978 51.892 54.000 -0.217 0.000 0.881 176 D CB 0.365 41.032 40.800 -0.221 0.000 1.143 176 D HN 0.158 nan 8.370 nan 0.000 0.473 177 P HA -0.152 nan 4.420 nan 0.000 0.222 177 P C 0.742 177.954 177.300 -0.146 0.000 1.147 177 P CA 0.974 63.989 63.100 -0.142 0.000 0.790 177 P CB 0.265 31.881 31.700 -0.139 0.000 0.780 178 Q N -0.918 118.759 119.800 -0.204 0.000 2.482 178 Q HA 0.153 4.493 4.340 -0.000 0.000 0.209 178 Q C 1.180 177.130 176.000 -0.084 0.000 0.961 178 Q CA 0.542 56.216 55.803 -0.214 0.000 0.945 178 Q CB -0.406 28.086 28.738 -0.410 0.000 1.012 178 Q HN 0.274 nan 8.270 nan 0.000 0.515 179 G N 0.976 109.733 108.800 -0.070 0.000 2.153 179 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.252 179 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.252 179 G C 0.068 174.962 174.900 -0.010 0.000 0.994 179 G CA 0.286 45.378 45.100 -0.013 0.000 0.698 179 G HN 0.307 nan 8.290 nan 0.000 0.521 180 S N 1.012 116.681 115.700 -0.052 0.000 2.558 180 S HA 0.336 4.806 4.470 -0.000 0.000 0.293 180 S C 0.886 175.472 174.600 -0.024 0.000 1.292 180 S CA 0.683 58.791 58.200 -0.154 0.000 1.063 180 S CB 0.553 63.547 63.200 -0.343 0.000 0.831 180 S HN 1.000 nan 8.310 nan 0.000 0.499 181 N N 1.835 120.567 118.700 0.054 0.000 2.813 181 N HA 0.383 5.123 4.740 -0.000 0.000 0.320 181 N C 0.521 176.141 175.510 0.183 0.000 1.315 181 N CA -0.861 52.268 53.050 0.131 0.000 0.871 181 N CB -0.058 38.517 38.487 0.147 0.000 1.241 181 N HN 0.267 nan 8.380 nan 0.000 0.602 182 M N -0.487 119.199 119.600 0.142 0.000 2.419 182 M HA 0.150 4.630 4.480 -0.000 0.000 0.264 182 M C 1.410 177.811 176.300 0.168 0.000 1.082 182 M CA 0.846 56.138 55.300 -0.014 0.000 1.119 182 M CB -1.014 31.463 32.600 -0.205 0.000 1.398 182 M HN 0.504 nan 8.290 nan 0.000 0.453 183 M N -0.920 118.908 119.600 0.379 0.000 2.159 183 M HA -0.173 4.307 4.480 -0.000 0.000 0.263 183 M C 2.240 178.957 176.300 0.696 0.000 1.063 183 M CA 1.491 57.138 55.300 0.579 0.000 1.110 183 M CB -1.375 31.523 32.600 0.496 0.000 1.374 183 M HN 0.223 nan 8.290 nan 0.000 0.411 184 F N 1.075 121.254 119.950 0.382 0.000 2.084 184 F HA -0.082 4.445 4.527 -0.000 0.000 0.296 184 F C 2.333 178.224 175.800 0.152 0.000 1.111 184 F CA 1.697 59.741 58.000 0.074 0.000 1.224 184 F CB -0.468 38.462 39.000 -0.118 0.000 0.991 184 F HN 0.110 nan 8.300 nan 0.000 0.471 185 A N 0.253 123.149 122.820 0.127 0.000 1.892 185 A HA -0.215 4.105 4.320 -0.000 0.000 0.218 185 A C 2.035 179.536 177.584 -0.139 0.000 1.188 185 A CA 2.047 54.041 52.037 -0.071 0.000 0.631 185 A CB -1.566 17.301 19.000 -0.222 0.000 0.822 185 A HN 0.452 nan 8.150 nan 0.000 0.447 186 F N -1.967 118.069 119.950 0.143 0.000 2.456 186 F HA 0.071 4.598 4.527 -0.000 0.000 0.298 186 F C 1.852 177.724 175.800 0.120 0.000 1.104 186 F CA 0.284 58.385 58.000 0.169 0.000 1.435 186 F CB -0.698 38.450 39.000 0.247 0.000 1.078 186 F HN 0.337 nan 8.300 nan 0.000 0.546 187 F N 0.614 120.610 119.950 0.077 0.000 2.146 187 F HA -0.101 4.426 4.527 -0.000 0.000 0.298 187 F C 2.327 178.000 175.800 -0.213 0.000 1.096 187 F CA 1.269 59.044 58.000 -0.376 0.000 1.275 187 F CB -0.373 38.471 39.000 -0.259 0.000 1.008 187 F HN -0.078 nan 8.300 nan 0.000 0.480 188 A N -0.245 122.599 122.820 0.040 0.000 1.898 188 A HA -0.240 4.080 4.320 -0.000 0.000 0.216 188 A C 2.211 179.762 177.584 -0.056 0.000 1.181 188 A CA 1.723 53.821 52.037 0.101 0.000 0.620 188 A CB -1.011 18.107 19.000 0.196 0.000 0.819 188 A HN 0.563 nan 8.150 nan 0.000 0.442 189 Q N -1.258 118.492 119.800 -0.083 0.000 2.050 189 Q HA -0.251 4.088 4.340 -0.000 0.000 0.202 189 Q C 2.174 177.936 176.000 -0.397 0.000 0.980 189 Q CA 1.753 57.396 55.803 -0.268 0.000 0.840 189 Q CB -0.354 28.265 28.738 -0.198 0.000 0.898 189 Q HN 0.883 nan 8.270 nan 0.000 0.424 190 H N -0.546 118.280 119.070 -0.406 0.000 2.293 190 H HA -0.165 4.391 4.556 -0.001 0.000 0.300 190 H C 2.007 177.146 175.328 -0.316 0.000 1.082 190 H CA 1.765 57.539 56.048 -0.456 0.000 1.308 190 H CB -0.326 29.163 29.762 -0.456 0.000 1.375 190 H HN 0.348 nan 8.280 nan 0.000 0.495 191 F N 2.118 121.694 119.950 -0.624 0.000 2.075 191 F HA -0.206 4.321 4.527 -0.000 0.000 0.297 191 F C 2.772 177.990 175.800 -0.969 0.000 1.113 191 F CA 2.520 60.045 58.000 -0.792 0.000 1.218 191 F CB -0.921 37.546 39.000 -0.889 0.000 0.984 191 F HN 0.238 nan 8.300 nan 0.000 0.472 192 T N -2.952 110.918 114.554 -1.141 0.000 2.995 192 T HA -0.160 4.190 4.350 -0.000 0.000 0.269 192 T C 1.363 175.141 174.700 -1.536 0.000 1.091 192 T CA 1.464 62.465 62.100 -1.832 0.000 1.128 192 T CB -0.886 67.217 68.868 -1.275 0.000 0.891 192 T HN 0.389 nan 8.240 nan 0.000 0.492 193 H N 1.578 120.091 119.070 -0.929 0.000 2.547 193 H HA 0.184 4.740 4.556 -0.001 0.000 0.274 193 H C 2.306 177.282 175.328 -0.587 0.000 1.024 193 H CA 0.594 56.334 56.048 -0.514 0.000 1.155 193 H CB -0.189 29.541 29.762 -0.054 0.000 1.344 193 H HN 0.760 nan 8.280 nan 0.000 0.598 194 Q N -0.185 119.062 119.800 -0.921 0.000 2.250 194 Q HA -0.048 4.292 4.340 -0.000 0.000 0.200 194 Q C 0.882 176.509 176.000 -0.621 0.000 0.941 194 Q CA 0.979 56.290 55.803 -0.820 0.000 0.872 194 Q CB -0.108 27.920 28.738 -1.184 0.000 0.965 194 Q HN 0.574 nan 8.270 nan 0.000 0.480 195 F N -2.617 116.926 119.950 -0.678 0.000 2.746 195 F HA 0.483 5.010 4.527 -0.000 0.000 0.313 195 F C -0.203 175.360 175.800 -0.395 0.000 1.095 195 F CA -1.139 56.522 58.000 -0.565 0.000 1.224 195 F CB 0.500 39.140 39.000 -0.601 0.000 1.060 195 F HN -0.230 nan 8.300 nan 0.000 0.584 196 F N 3.751 123.472 119.950 -0.382 0.000 2.335 196 F HA 0.498 5.025 4.527 -0.001 0.000 0.365 196 F C -0.089 175.497 175.800 -0.356 0.000 1.122 196 F CA -1.654 56.160 58.000 -0.309 0.000 1.151 196 F CB 0.720 39.384 39.000 -0.561 0.000 1.282 196 F HN -0.015 nan 8.300 nan 0.000 0.513 197 K N 2.106 122.507 120.400 0.002 0.000 2.950 197 K HA 0.182 4.502 4.320 -0.000 0.000 0.199 197 K C -0.529 176.003 176.600 -0.115 0.000 1.144 197 K CA -0.321 55.898 56.287 -0.113 0.000 0.983 197 K CB 1.203 33.598 32.500 -0.176 0.000 1.187 197 K HN 0.332 nan 8.250 nan 0.000 0.595 198 T N 1.415 115.902 114.554 -0.112 0.000 2.888 198 T HA -0.038 4.312 4.350 -0.000 0.000 0.301 198 T C 0.113 174.549 174.700 -0.439 0.000 1.001 198 T CA 0.332 62.305 62.100 -0.212 0.000 1.147 198 T CB 0.420 69.128 68.868 -0.266 0.000 0.931 198 T HN 0.253 nan 8.240 nan 0.000 0.541 199 D N 1.682 121.918 120.400 -0.272 0.000 2.483 199 D HA 0.035 4.675 4.640 -0.000 0.000 0.220 199 D C 1.161 177.359 176.300 -0.170 0.000 1.173 199 D CA -0.321 53.554 54.000 -0.208 0.000 0.964 199 D CB 0.090 40.801 40.800 -0.148 0.000 1.046 199 D HN 0.532 nan 8.370 nan 0.000 0.517 200 H N 2.461 121.527 119.070 -0.006 0.000 2.521 200 H HA -0.042 4.514 4.556 -0.000 0.000 0.286 200 H C 1.351 176.662 175.328 -0.029 0.000 1.034 200 H CA 0.711 56.759 56.048 -0.000 0.000 1.278 200 H CB 0.551 30.314 29.762 0.001 0.000 1.386 200 H HN 0.469 nan 8.280 nan 0.000 0.567 201 K N 0.706 121.121 120.400 0.026 0.000 2.217 201 K HA -0.024 4.295 4.320 -0.000 0.000 0.202 201 K C 2.021 178.558 176.600 -0.105 0.000 1.051 201 K CA 0.586 56.853 56.287 -0.035 0.000 0.952 201 K CB 0.281 32.744 32.500 -0.063 0.000 0.736 201 K HN 0.289 nan 8.250 nan 0.000 0.453 202 R N 0.161 120.553 120.500 -0.180 0.000 2.123 202 R HA 0.107 4.446 4.340 -0.000 0.000 0.209 202 R C 0.794 176.999 176.300 -0.159 0.000 1.078 202 R CA 0.673 56.540 56.100 -0.389 0.000 1.028 202 R CB 0.610 30.368 30.300 -0.904 0.000 0.939 202 R HN 0.239 nan 8.270 nan 0.000 0.463 203 G N -0.320 108.518 108.800 0.063 0.000 2.347 203 G HA2 -0.063 3.896 3.960 -0.000 0.000 0.321 203 G HA3 -0.063 3.896 3.960 -0.000 0.000 0.321 203 G C -2.592 172.458 174.900 0.251 0.000 1.412 203 G CA -0.938 44.290 45.100 0.213 0.000 0.990 203 G HN -0.211 nan 8.290 nan 0.000 0.637 204 P HA 0.036 nan 4.420 nan 0.000 0.225 204 P C 1.556 178.951 177.300 0.158 0.000 1.148 204 P CA 1.610 64.786 63.100 0.127 0.000 0.779 204 P CB 0.064 31.795 31.700 0.052 0.000 0.780 205 G N -1.894 106.980 108.800 0.123 0.000 3.088 205 G HA2 0.141 4.101 3.960 -0.000 0.000 0.212 205 G HA3 0.141 4.101 3.960 -0.000 0.000 0.212 205 G C -0.051 174.722 174.900 -0.212 0.000 1.173 205 G CA -0.094 45.005 45.100 -0.002 0.000 0.779 205 G HN 0.146 nan 8.290 nan 0.000 0.540 206 F N -0.649 119.296 119.950 -0.008 0.000 2.522 206 F HA 0.637 5.164 4.527 -0.000 0.000 0.324 206 F C 0.331 175.850 175.800 -0.467 0.000 1.077 206 F CA -0.793 57.046 58.000 -0.268 0.000 0.944 206 F CB 2.554 41.384 39.000 -0.284 0.000 1.175 206 F HN -0.174 nan 8.300 nan 0.000 0.468 207 T N 0.759 115.034 114.554 -0.464 0.000 2.907 207 T HA 0.433 4.782 4.350 -0.000 0.000 0.292 207 T C 0.550 175.050 174.700 -0.334 0.000 1.043 207 T CA -0.580 61.149 62.100 -0.618 0.000 1.003 207 T CB 1.281 69.495 68.868 -1.090 0.000 1.084 207 T HN 0.713 nan 8.240 nan 0.000 0.483 208 R N 1.662 121.995 120.500 -0.280 0.000 2.312 208 R HA 0.251 4.591 4.340 -0.000 0.000 0.205 208 R C 1.233 177.401 176.300 -0.220 0.000 0.904 208 R CA -0.020 55.955 56.100 -0.210 0.000 1.052 208 R CB 0.467 30.665 30.300 -0.170 0.000 1.014 208 R HN 0.587 nan 8.270 nan 0.000 0.503 209 G N 1.035 109.663 108.800 -0.287 0.000 2.977 209 G HA2 0.203 4.163 3.960 -0.000 0.000 0.306 209 G HA3 0.203 4.163 3.960 -0.000 0.000 0.306 209 G C 0.575 175.258 174.900 -0.362 0.000 0.885 209 G CA -0.413 44.518 45.100 -0.281 0.000 1.649 209 G HN 0.136 nan 8.290 nan 0.000 0.514 210 L N 1.939 123.034 121.223 -0.215 0.000 2.552 210 L HA 0.073 4.413 4.340 -0.000 0.000 0.227 210 L C 2.589 179.466 176.870 0.010 0.000 1.146 210 L CA 0.655 55.432 54.840 -0.105 0.000 0.858 210 L CB 0.237 42.267 42.059 -0.049 0.000 0.969 210 L HN 0.551 nan 8.230 nan 0.000 0.451 211 G N -2.306 106.465 108.800 -0.050 0.000 2.650 211 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.214 211 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.214 211 G C 0.619 175.551 174.900 0.054 0.000 1.136 211 G CA -0.180 44.923 45.100 0.005 0.000 0.789 211 G HN 0.547 nan 8.290 nan 0.000 0.536 212 H N -0.456 118.571 119.070 -0.072 0.000 2.655 212 H HA -0.181 4.375 4.556 -0.000 0.000 0.313 212 H C 1.193 176.445 175.328 -0.127 0.000 1.141 212 H CA 1.149 57.149 56.048 -0.079 0.000 1.138 212 H CB -1.301 28.413 29.762 -0.081 0.000 1.446 212 H HN 0.746 nan 8.280 nan 0.000 0.415 213 G N -1.668 107.090 108.800 -0.071 0.000 2.441 213 G HA2 0.218 4.178 3.960 -0.000 0.000 0.225 213 G HA3 0.218 4.178 3.960 -0.000 0.000 0.225 213 G C -0.851 174.031 174.900 -0.031 0.000 1.200 213 G CA -0.214 44.792 45.100 -0.157 0.000 0.947 213 G HN 0.142 nan 8.290 nan 0.000 0.484 214 V N 2.545 122.450 119.914 -0.014 0.000 2.222 214 V HA 0.300 4.420 4.120 -0.000 0.000 0.253 214 V C 0.277 176.392 176.094 0.035 0.000 1.210 214 V CA 0.744 63.062 62.300 0.030 0.000 1.079 214 V CB 0.270 32.164 31.823 0.119 0.000 1.265 214 V HN 0.755 nan 8.190 nan 0.000 0.494 215 D N 2.790 123.196 120.400 0.009 0.000 2.433 215 D HA 0.062 4.701 4.640 -0.000 0.000 0.211 215 D C 0.961 177.331 176.300 0.116 0.000 1.114 215 D CA -0.342 53.688 54.000 0.051 0.000 0.837 215 D CB 0.110 40.927 40.800 0.028 0.000 0.984 215 D HN 0.324 nan 8.370 nan 0.000 0.505 216 L N 0.766 122.051 121.223 0.103 0.000 3.843 216 L HA -0.347 3.993 4.340 -0.000 0.000 0.411 216 L C 0.874 177.917 176.870 0.288 0.000 1.205 216 L CA 0.705 55.699 54.840 0.256 0.000 0.945 216 L CB -2.519 39.699 42.059 0.265 0.000 1.929 216 L HN 0.293 nan 8.230 nan 0.000 0.934 217 N N 0.138 118.930 118.700 0.154 0.000 2.430 217 N HA -0.211 4.529 4.740 -0.000 0.000 0.186 217 N C 1.706 177.225 175.510 0.016 0.000 1.032 217 N CA 1.759 54.857 53.050 0.081 0.000 0.893 217 N CB -0.227 38.248 38.487 -0.021 0.000 0.957 217 N HN 0.736 nan 8.380 nan 0.000 0.442 218 H N -0.979 117.938 119.070 -0.256 0.000 2.555 218 H HA 0.174 4.730 4.556 -0.000 0.000 0.269 218 H C 1.356 176.525 175.328 -0.264 0.000 0.988 218 H CA 0.462 56.283 56.048 -0.378 0.000 1.178 218 H CB -0.252 29.245 29.762 -0.442 0.000 1.373 218 H HN 0.423 nan 8.280 nan 0.000 0.588 219 I N -0.991 119.313 120.570 -0.442 0.000 3.300 219 I HA -0.038 4.131 4.170 -0.000 0.000 0.279 219 I C 1.196 177.057 176.117 -0.425 0.000 1.172 219 I CA 0.157 61.130 61.300 -0.545 0.000 1.431 219 I CB 0.131 37.590 38.000 -0.903 0.000 1.240 219 I HN -0.030 nan 8.210 nan 0.000 0.453 220 Y N 1.330 121.611 120.300 -0.032 0.000 2.478 220 Y HA 0.464 5.014 4.550 -0.000 0.000 0.261 220 Y C 1.158 177.072 175.900 0.024 0.000 1.127 220 Y CA 0.069 58.194 58.100 0.041 0.000 1.288 220 Y CB 0.041 38.570 38.460 0.116 0.000 1.084 220 Y HN 0.130 nan 8.280 nan 0.000 0.530 221 G N 0.538 109.393 108.800 0.092 0.000 2.712 221 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.686 221 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.686 221 G C 0.256 175.168 174.900 0.020 0.000 1.181 221 G CA -0.395 44.719 45.100 0.024 0.000 0.762 221 G HN 0.014 nan 8.290 nan 0.000 0.641 222 E N -0.430 119.750 120.200 -0.033 0.000 2.077 222 E HA -0.028 4.322 4.350 -0.000 0.000 0.193 222 E C 1.973 178.555 176.600 -0.031 0.000 0.989 222 E CA 2.018 58.392 56.400 -0.044 0.000 0.800 222 E CB -0.142 29.513 29.700 -0.075 0.000 0.746 222 E HN 1.072 nan 8.360 nan 0.000 0.452 223 T N -2.535 111.997 114.554 -0.036 0.000 2.940 223 T HA 0.335 4.685 4.350 -0.000 0.000 0.288 223 T C 1.315 175.972 174.700 -0.071 0.000 1.033 223 T CA -0.776 61.294 62.100 -0.050 0.000 1.033 223 T CB 1.459 70.294 68.868 -0.055 0.000 1.079 223 T HN -0.046 nan 8.240 nan 0.000 0.496 224 L N 0.271 121.422 121.223 -0.120 0.000 2.046 224 L HA -0.099 4.241 4.340 -0.000 0.000 0.208 224 L C 2.308 178.979 176.870 -0.331 0.000 1.077 224 L CA 1.838 56.522 54.840 -0.261 0.000 0.747 224 L CB -0.429 41.456 42.059 -0.290 0.000 0.896 224 L HN 0.863 nan 8.230 nan 0.000 0.432 225 D N -0.372 119.921 120.400 -0.177 0.000 2.097 225 D HA -0.256 4.383 4.640 -0.000 0.000 0.195 225 D C 2.180 178.468 176.300 -0.020 0.000 0.989 225 D CA 1.245 55.194 54.000 -0.086 0.000 0.827 225 D CB 0.116 40.888 40.800 -0.047 0.000 0.966 225 D HN 0.267 nan 8.370 nan 0.000 0.456 226 R N 0.743 121.227 120.500 -0.025 0.000 2.081 226 R HA -0.137 4.203 4.340 -0.000 0.000 0.235 226 R C 2.392 178.710 176.300 0.029 0.000 1.131 226 R CA 1.334 57.436 56.100 0.003 0.000 0.960 226 R CB -0.152 30.140 30.300 -0.013 0.000 0.856 226 R HN 0.188 nan 8.270 nan 0.000 0.436 227 Q N -0.268 119.542 119.800 0.017 0.000 2.061 227 Q HA -0.236 4.103 4.340 -0.000 0.000 0.204 227 Q C 1.682 177.732 176.000 0.084 0.000 0.984 227 Q CA 1.933 57.770 55.803 0.056 0.000 0.846 227 Q CB -0.161 28.603 28.738 0.044 0.000 0.902 227 Q HN 0.669 nan 8.270 nan 0.000 0.421 228 H N -0.459 118.598 119.070 -0.021 0.000 2.389 228 H HA -0.058 4.498 4.556 -0.001 0.000 0.299 228 H C 2.020 177.415 175.328 0.112 0.000 1.081 228 H CA 1.002 57.094 56.048 0.074 0.000 1.345 228 H CB 0.293 30.186 29.762 0.217 0.000 1.393 228 H HN 0.205 nan 8.280 nan 0.000 0.520 229 K N 0.576 121.089 120.400 0.188 0.000 2.209 229 K HA -0.080 4.240 4.320 -0.000 0.000 0.204 229 K C 1.837 178.482 176.600 0.074 0.000 1.048 229 K CA 0.708 57.068 56.287 0.122 0.000 0.940 229 K CB 0.154 32.703 32.500 0.081 0.000 0.729 229 K HN 0.246 nan 8.250 nan 0.000 0.451 230 L N 0.250 121.498 121.223 0.042 0.000 2.418 230 L HA 0.012 4.352 4.340 -0.000 0.000 0.218 230 L C 0.684 177.534 176.870 -0.033 0.000 1.125 230 L CA 0.214 55.066 54.840 0.020 0.000 0.835 230 L CB 0.048 42.128 42.059 0.035 0.000 0.953 230 L HN 0.031 nan 8.230 nan 0.000 0.454 231 R N -0.239 120.167 120.500 -0.158 0.000 2.457 231 R HA 0.153 4.492 4.340 -0.000 0.000 0.284 231 R C 0.685 176.811 176.300 -0.291 0.000 1.024 231 R CA -0.497 55.370 56.100 -0.388 0.000 1.025 231 R CB 1.515 31.207 30.300 -1.014 0.000 1.063 231 R HN -0.094 nan 8.270 nan 0.000 0.493 232 L N 2.288 123.401 121.223 -0.182 0.000 2.209 232 L HA 0.151 4.491 4.340 -0.000 0.000 0.207 232 L C 0.209 177.138 176.870 0.098 0.000 1.094 232 L CA 1.229 56.069 54.840 0.001 0.000 0.790 232 L CB -0.144 41.960 42.059 0.074 0.000 0.932 232 L HN 0.826 nan 8.230 nan 0.000 0.447 233 F N -0.745 119.199 119.950 -0.009 0.000 2.988 233 F HA -0.296 4.230 4.527 -0.001 0.000 0.287 233 F C 0.301 176.109 175.800 0.013 0.000 0.781 233 F CA 0.725 58.702 58.000 -0.037 0.000 1.221 233 F CB -1.664 37.283 39.000 -0.088 0.000 1.392 233 F HN 0.121 nan 8.300 nan 0.000 0.425 234 K N 0.314 120.808 120.400 0.157 0.000 2.397 234 K HA 0.352 4.671 4.320 -0.000 0.000 0.253 234 K C 0.140 176.828 176.600 0.146 0.000 0.932 234 K CA -0.769 55.603 56.287 0.142 0.000 0.795 234 K CB 1.819 34.393 32.500 0.123 0.000 1.159 234 K HN -0.022 nan 8.250 nan 0.000 0.424 235 D N 1.117 121.607 120.400 0.149 0.000 3.077 235 D HA -0.198 4.442 4.640 -0.000 0.000 0.217 235 D C 0.783 177.196 176.300 0.188 0.000 1.162 235 D CA 1.937 56.033 54.000 0.159 0.000 0.943 235 D CB -0.904 39.980 40.800 0.139 0.000 1.122 235 D HN 1.128 nan 8.370 nan 0.000 0.413 236 G N -0.314 108.611 108.800 0.208 0.000 2.157 236 G HA2 -0.349 3.611 3.960 -0.000 0.000 0.248 236 G HA3 -0.349 3.611 3.960 -0.000 0.000 0.248 236 G C 0.310 175.486 174.900 0.460 0.000 0.979 236 G CA 0.726 46.010 45.100 0.307 0.000 0.650 236 G HN 0.468 nan 8.290 nan 0.000 0.529 237 K N -0.610 119.984 120.400 0.324 0.000 2.090 237 K HA 0.648 4.968 4.320 -0.000 0.000 0.250 237 K C 0.058 176.834 176.600 0.294 0.000 1.004 237 K CA -0.901 55.618 56.287 0.388 0.000 0.919 237 K CB 0.780 33.453 32.500 0.287 0.000 1.045 237 K HN 0.006 nan 8.250 nan 0.000 0.471 238 L N 2.188 123.590 121.223 0.298 0.000 2.334 238 L HA 0.238 4.578 4.340 -0.000 0.000 0.277 238 L C 0.121 177.121 176.870 0.216 0.000 1.075 238 L CA -0.071 54.864 54.840 0.158 0.000 0.804 238 L CB 1.022 43.132 42.059 0.084 0.000 1.174 238 L HN 0.454 nan 8.230 nan 0.000 0.438 239 K N 2.976 123.449 120.400 0.122 0.000 2.440 239 K HA 0.241 4.561 4.320 -0.000 0.000 0.270 239 K C -1.102 175.614 176.600 0.193 0.000 0.980 239 K CA 0.599 56.944 56.287 0.097 0.000 0.953 239 K CB 0.352 32.868 32.500 0.026 0.000 0.925 239 K HN 0.583 nan 8.250 nan 0.000 0.497 240 Y N -2.240 118.068 120.300 0.014 0.000 2.689 240 Y HA 0.268 4.817 4.550 -0.000 0.000 0.333 240 Y C -1.498 174.404 175.900 0.003 0.000 1.208 240 Y CA -1.392 56.704 58.100 -0.006 0.000 1.055 240 Y CB 1.022 39.474 38.460 -0.015 0.000 1.304 240 Y HN 0.606 nan 8.280 nan 0.000 0.455 241 Q N 0.791 120.660 119.800 0.114 0.000 2.433 241 Q HA 0.839 5.179 4.340 -0.000 0.000 0.279 241 Q C -2.035 174.086 176.000 0.201 0.000 1.105 241 Q CA -1.333 54.503 55.803 0.054 0.000 0.815 241 Q CB 3.088 31.853 28.738 0.044 0.000 1.403 241 Q HN 0.610 nan 8.270 nan 0.000 0.435 242 V N 2.623 122.626 119.914 0.149 0.000 2.384 242 V HA 0.482 4.602 4.120 -0.000 0.000 0.287 242 V C -0.563 175.620 176.094 0.148 0.000 1.020 242 V CA -0.502 61.898 62.300 0.167 0.000 0.850 242 V CB 1.155 33.063 31.823 0.143 0.000 0.987 242 V HN 0.672 nan 8.190 nan 0.000 0.436 243 I N 3.692 124.390 120.570 0.214 0.000 2.439 243 I HA 0.555 4.725 4.170 -0.000 0.000 0.285 243 I C 1.041 177.261 176.117 0.171 0.000 1.021 243 I CA -0.496 60.908 61.300 0.174 0.000 1.091 243 I CB 1.775 39.866 38.000 0.152 0.000 1.242 243 I HN 0.816 nan 8.210 nan 0.000 0.439 244 G N 4.276 113.135 108.800 0.098 0.000 2.305 244 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.287 244 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.287 244 G C 0.995 175.938 174.900 0.072 0.000 1.036 244 G CA 0.656 45.802 45.100 0.077 0.000 0.887 244 G HN 1.541 nan 8.290 nan 0.000 0.505 245 G N -1.918 106.921 108.800 0.066 0.000 2.179 245 G HA2 -0.230 3.729 3.960 -0.000 0.000 0.260 245 G HA3 -0.230 3.729 3.960 -0.000 0.000 0.260 245 G C 0.060 174.972 174.900 0.020 0.000 0.977 245 G CA 0.905 46.030 45.100 0.041 0.000 0.641 245 G HN 0.951 nan 8.290 nan 0.000 0.533 246 E N -0.234 119.989 120.200 0.038 0.000 2.195 246 E HA 0.544 4.894 4.350 -0.000 0.000 0.271 246 E C -0.050 176.452 176.600 -0.163 0.000 0.923 246 E CA -0.778 55.566 56.400 -0.092 0.000 0.790 246 E CB 2.403 32.031 29.700 -0.120 0.000 1.155 246 E HN 0.092 nan 8.360 nan 0.000 0.402 247 V N 3.771 123.497 119.914 -0.314 0.000 2.455 247 V HA 0.190 4.310 4.120 -0.000 0.000 0.273 247 V C -0.673 175.111 176.094 -0.517 0.000 1.045 247 V CA 0.077 62.224 62.300 -0.256 0.000 0.976 247 V CB -0.366 31.286 31.823 -0.286 0.000 0.993 247 V HN 0.514 nan 8.190 nan 0.000 0.475 248 Y N 4.866 125.102 120.300 -0.107 0.000 2.602 248 Y HA 0.513 5.062 4.550 -0.000 0.000 0.342 248 Y C -2.219 173.515 175.900 -0.277 0.000 1.029 248 Y CA -2.740 55.181 58.100 -0.299 0.000 1.080 248 Y CB 1.965 40.120 38.460 -0.507 0.000 1.284 248 Y HN 0.427 nan 8.280 nan 0.000 0.485 249 P HA 0.035 nan 4.420 nan 0.000 0.270 249 P C -2.519 174.710 177.300 -0.118 0.000 1.223 249 P CA -0.787 62.228 63.100 -0.142 0.000 0.785 249 P CB -0.015 31.610 31.700 -0.126 0.000 0.923 250 P HA 0.081 nan 4.420 nan 0.000 0.277 250 P C -0.450 176.930 177.300 0.134 0.000 1.276 250 P CA -0.017 63.116 63.100 0.055 0.000 0.788 250 P CB 0.094 31.820 31.700 0.044 0.000 1.114 251 T N -3.537 111.092 114.554 0.125 0.000 2.934 251 T HA 0.229 4.579 4.350 -0.000 0.000 0.283 251 T C 1.415 176.171 174.700 0.093 0.000 1.005 251 T CA -0.703 61.478 62.100 0.136 0.000 1.041 251 T CB 0.244 69.158 68.868 0.077 0.000 1.042 251 T HN 0.062 nan 8.240 nan 0.000 0.505 252 V N 1.486 121.450 119.914 0.082 0.000 2.407 252 V HA -0.132 3.988 4.120 -0.000 0.000 0.248 252 V C 2.788 178.904 176.094 0.036 0.000 1.055 252 V CA 2.233 64.574 62.300 0.068 0.000 1.049 252 V CB -0.885 30.981 31.823 0.071 0.000 0.662 252 V HN 1.041 nan 8.190 nan 0.000 0.455 253 K N 0.238 120.648 120.400 0.017 0.000 2.097 253 K HA -0.245 4.075 4.320 -0.000 0.000 0.205 253 K C 1.887 178.495 176.600 0.013 0.000 1.050 253 K CA 2.040 58.331 56.287 0.006 0.000 0.938 253 K CB -0.240 32.254 32.500 -0.009 0.000 0.718 253 K HN 0.466 nan 8.250 nan 0.000 0.442 254 D N -0.552 119.860 120.400 0.021 0.000 2.194 254 D HA -0.094 4.546 4.640 -0.000 0.000 0.204 254 D C 1.674 177.990 176.300 0.026 0.000 0.964 254 D CA 1.689 55.700 54.000 0.018 0.000 0.846 254 D CB 0.183 40.993 40.800 0.016 0.000 0.962 254 D HN 0.438 nan 8.370 nan 0.000 0.490 255 T N -4.408 110.168 114.554 0.037 0.000 2.990 255 T HA 0.128 4.478 4.350 -0.000 0.000 0.249 255 T C 0.857 175.582 174.700 0.042 0.000 1.039 255 T CA 0.219 62.346 62.100 0.044 0.000 1.036 255 T CB 0.182 69.082 68.868 0.053 0.000 0.994 255 T HN -0.031 nan 8.240 nan 0.000 0.489 256 Q N 0.337 120.159 119.800 0.037 0.000 2.489 256 Q HA -0.127 4.212 4.340 -0.000 0.000 0.259 256 Q C 0.018 176.038 176.000 0.033 0.000 0.934 256 Q CA 0.806 56.627 55.803 0.031 0.000 1.131 256 Q CB -2.629 26.124 28.738 0.026 0.000 1.472 256 Q HN 0.891 nan 8.270 nan 0.000 0.560 257 V N -1.211 118.728 119.914 0.042 0.000 2.546 257 V HA 0.386 4.506 4.120 -0.000 0.000 0.284 257 V C 0.526 176.644 176.094 0.039 0.000 1.050 257 V CA -0.581 61.741 62.300 0.036 0.000 0.981 257 V CB 1.486 33.332 31.823 0.038 0.000 0.990 257 V HN 0.220 nan 8.190 nan 0.000 0.474 258 E N 6.265 126.477 120.200 0.020 0.000 2.344 258 E HA 0.334 4.683 4.350 -0.000 0.000 0.270 258 E C -0.558 176.048 176.600 0.010 0.000 1.021 258 E CA -0.145 56.264 56.400 0.016 0.000 0.887 258 E CB 0.928 30.625 29.700 -0.005 0.000 0.997 258 E HN 0.617 nan 8.360 nan 0.000 0.429 259 M N 2.278 121.897 119.600 0.031 0.000 2.572 259 M HA 0.425 4.905 4.480 -0.000 0.000 0.299 259 M C -0.464 175.787 176.300 -0.081 0.000 1.205 259 M CA -0.834 54.451 55.300 -0.026 0.000 0.876 259 M CB 1.771 34.428 32.600 0.095 0.000 1.728 259 M HN 0.407 nan 8.290 nan 0.000 0.458 260 I N 2.191 122.622 120.570 -0.231 0.000 2.301 260 I HA 0.302 4.472 4.170 -0.000 0.000 0.292 260 I C -1.304 174.569 176.117 -0.407 0.000 1.046 260 I CA -0.148 61.029 61.300 -0.206 0.000 1.282 260 I CB 0.265 38.183 38.000 -0.137 0.000 1.409 260 I HN 0.495 nan 8.210 nan 0.000 0.484 261 Y N 6.529 126.788 120.300 -0.068 0.000 2.504 261 Y HA 0.415 4.965 4.550 -0.000 0.000 0.344 261 Y C -2.067 173.708 175.900 -0.208 0.000 1.023 261 Y CA -2.097 55.924 58.100 -0.132 0.000 1.020 261 Y CB 1.981 40.359 38.460 -0.137 0.000 1.282 261 Y HN 0.425 nan 8.280 nan 0.000 0.454 262 P HA 0.096 nan 4.420 nan 0.000 0.272 262 P C -2.296 174.877 177.300 -0.210 0.000 1.223 262 P CA -1.309 61.637 63.100 -0.257 0.000 0.784 262 P CB 0.759 32.187 31.700 -0.454 0.000 0.923 263 P HA -0.150 nan 4.420 nan 0.000 0.225 263 P C 1.165 178.440 177.300 -0.042 0.000 1.148 263 P CA 1.450 64.522 63.100 -0.047 0.000 0.779 263 P CB -0.431 31.270 31.700 0.000 0.000 0.780 264 H N -1.565 117.469 119.070 -0.060 0.000 2.539 264 H HA 0.114 4.670 4.556 -0.001 0.000 0.267 264 H C 0.469 175.754 175.328 -0.072 0.000 0.982 264 H CA -0.300 55.714 56.048 -0.055 0.000 1.146 264 H CB -0.220 29.517 29.762 -0.042 0.000 1.382 264 H HN 0.013 nan 8.280 nan 0.000 0.577 265 I N 5.272 125.591 120.570 -0.419 0.000 2.436 265 I HA 0.120 4.289 4.170 -0.000 0.000 0.289 265 I C -2.047 173.910 176.117 -0.266 0.000 1.083 265 I CA -2.454 58.627 61.300 -0.366 0.000 1.372 265 I CB 0.613 38.346 38.000 -0.446 0.000 1.408 265 I HN 0.053 nan 8.210 nan 0.000 0.516 266 P HA 0.100 nan 4.420 nan 0.000 0.268 266 P C 0.518 177.678 177.300 -0.233 0.000 1.205 266 P CA -0.121 62.872 63.100 -0.177 0.000 0.771 266 P CB 0.957 32.573 31.700 -0.140 0.000 0.858 267 E N 1.734 121.829 120.200 -0.174 0.000 2.267 267 E HA -0.205 4.144 4.350 -0.000 0.000 0.197 267 E C 1.551 178.046 176.600 -0.174 0.000 0.998 267 E CA 1.044 57.342 56.400 -0.170 0.000 0.830 267 E CB -0.105 29.535 29.700 -0.099 0.000 0.751 267 E HN 0.569 nan 8.360 nan 0.000 0.491 268 N N 0.436 119.040 118.700 -0.160 0.000 2.461 268 N HA -0.102 4.638 4.740 -0.000 0.000 0.188 268 N C 1.272 176.652 175.510 -0.217 0.000 1.134 268 N CA 0.468 53.444 53.050 -0.124 0.000 0.878 268 N CB 0.219 38.656 38.487 -0.085 0.000 0.972 268 N HN 0.234 nan 8.380 nan 0.000 0.456 269 L N -0.083 120.910 121.223 -0.383 0.000 2.766 269 L HA 0.217 4.557 4.340 -0.000 0.000 0.242 269 L C 0.200 176.522 176.870 -0.914 0.000 1.136 269 L CA -0.019 54.415 54.840 -0.677 0.000 0.933 269 L CB 0.322 42.068 42.059 -0.522 0.000 1.241 269 L HN 0.001 nan 8.230 nan 0.000 0.522 270 Q N 1.093 120.468 119.800 -0.709 0.000 2.664 270 Q HA 0.204 4.544 4.340 -0.000 0.000 0.223 270 Q C -0.674 175.205 176.000 -0.201 0.000 1.298 270 Q CA -0.114 55.166 55.803 -0.872 0.000 0.965 270 Q CB -0.001 28.356 28.738 -0.636 0.000 1.510 270 Q HN 0.227 nan 8.270 nan 0.000 0.567 271 F N 1.038 120.963 119.950 -0.041 0.000 2.529 271 F HA 0.202 4.729 4.527 -0.000 0.000 0.365 271 F C 0.844 176.765 175.800 0.201 0.000 1.102 271 F CA -0.940 57.119 58.000 0.099 0.000 1.271 271 F CB 0.662 39.726 39.000 0.107 0.000 1.120 271 F HN 0.379 nan 8.300 nan 0.000 0.579 272 A N 4.358 127.373 122.820 0.326 0.000 2.271 272 A HA 0.693 5.013 4.320 -0.000 0.000 0.317 272 A C -0.564 177.107 177.584 0.144 0.000 1.245 272 A CA -0.494 51.666 52.037 0.206 0.000 0.857 272 A CB 0.664 19.748 19.000 0.140 0.000 1.175 272 A HN 0.660 nan 8.150 nan 0.000 0.512 273 V N 0.012 119.993 119.914 0.112 0.000 3.167 273 V HA 0.869 4.988 4.120 -0.000 0.000 0.310 273 V C 1.159 177.235 176.094 -0.029 0.000 1.207 273 V CA -0.069 62.267 62.300 0.060 0.000 1.059 273 V CB 0.970 32.874 31.823 0.134 0.000 1.079 273 V HN 1.023 nan 8.190 nan 0.000 0.446 274 G N -0.670 108.079 108.800 -0.085 0.000 2.476 274 G HA2 -0.134 3.825 3.960 -0.000 0.000 0.218 274 G HA3 -0.134 3.825 3.960 -0.000 0.000 0.218 274 G C 0.728 175.490 174.900 -0.230 0.000 1.164 274 G CA 0.957 45.974 45.100 -0.139 0.000 0.768 274 G HN 0.702 nan 8.290 nan 0.000 0.560 275 Q N 0.493 120.032 119.800 -0.436 0.000 2.340 275 Q HA 0.179 4.519 4.340 -0.000 0.000 0.259 275 Q C 1.314 177.028 176.000 -0.476 0.000 0.964 275 Q CA -0.157 55.230 55.803 -0.694 0.000 0.900 275 Q CB 1.578 29.274 28.738 -1.737 0.000 1.228 275 Q HN 0.761 nan 8.270 nan 0.000 0.449 276 E N 1.914 121.942 120.200 -0.288 0.000 2.333 276 E HA -0.121 4.228 4.350 -0.000 0.000 0.198 276 E C 1.032 177.534 176.600 -0.163 0.000 1.007 276 E CA 0.688 56.983 56.400 -0.175 0.000 0.845 276 E CB 0.152 29.777 29.700 -0.125 0.000 0.766 276 E HN 0.263 nan 8.360 nan 0.000 0.507 277 V N 0.154 119.982 119.914 -0.144 0.000 3.647 277 V HA 0.020 4.140 4.120 -0.000 0.000 0.279 277 V C 0.515 176.715 176.094 0.177 0.000 1.314 277 V CA 0.104 62.406 62.300 0.003 0.000 1.125 277 V CB -0.432 31.445 31.823 0.091 0.000 0.907 277 V HN 0.234 nan 8.190 nan 0.000 0.434 278 F N 0.882 120.798 119.950 -0.056 0.000 2.802 278 F HA 0.250 4.777 4.527 -0.001 0.000 0.300 278 F C 2.163 177.949 175.800 -0.023 0.000 1.168 278 F CA 0.499 58.493 58.000 -0.010 0.000 1.433 278 F CB -1.009 38.017 39.000 0.043 0.000 1.115 278 F HN 0.298 nan 8.300 nan 0.000 0.582 279 G N -0.757 108.072 108.800 0.048 0.000 2.985 279 G HA2 -0.047 3.912 3.960 -0.000 0.000 0.209 279 G HA3 -0.047 3.912 3.960 -0.000 0.000 0.209 279 G C 1.572 176.485 174.900 0.023 0.000 1.165 279 G CA 0.058 45.162 45.100 0.007 0.000 0.776 279 G HN 0.219 nan 8.290 nan 0.000 0.541 280 L N 0.682 121.912 121.223 0.010 0.000 2.341 280 L HA 0.298 4.638 4.340 -0.000 0.000 0.214 280 L C 0.042 176.840 176.870 -0.120 0.000 1.115 280 L CA 1.060 55.935 54.840 0.058 0.000 0.820 280 L CB 0.115 42.240 42.059 0.109 0.000 0.944 280 L HN -0.014 nan 8.230 nan 0.000 0.452 281 V N -0.134 119.694 119.914 -0.144 0.000 2.569 281 V HA 0.281 4.401 4.120 -0.000 0.000 0.301 281 V C -1.749 174.112 176.094 -0.388 0.000 1.044 281 V CA -0.972 61.147 62.300 -0.302 0.000 0.874 281 V CB 1.561 33.302 31.823 -0.137 0.000 1.002 281 V HN -0.125 nan 8.190 nan 0.000 0.424 282 P HA -0.103 nan 4.420 nan 0.000 0.219 282 P C 1.608 178.745 177.300 -0.273 0.000 1.146 282 P CA 1.608 64.444 63.100 -0.441 0.000 0.808 282 P CB 0.306 31.655 31.700 -0.585 0.000 0.779 283 G N -0.633 107.861 108.800 -0.509 0.000 2.408 283 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.217 283 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.217 283 G C 1.330 175.939 174.900 -0.485 0.000 1.150 283 G CA 0.396 44.951 45.100 -0.908 0.000 0.776 283 G HN 0.144 nan 8.290 nan 0.000 0.542 284 L N -0.147 120.850 121.223 -0.377 0.000 2.027 284 L HA 0.144 4.484 4.340 -0.000 0.000 0.206 284 L C 2.706 179.471 176.870 -0.175 0.000 1.074 284 L CA 1.414 56.093 54.840 -0.269 0.000 0.745 284 L CB -0.781 41.054 42.059 -0.373 0.000 0.898 284 L HN 0.207 nan 8.230 nan 0.000 0.433 285 M N -1.467 118.064 119.600 -0.116 0.000 2.296 285 M HA -0.190 4.290 4.480 -0.000 0.000 0.265 285 M C 2.129 178.386 176.300 -0.073 0.000 1.064 285 M CA 1.403 56.701 55.300 -0.004 0.000 1.109 285 M CB -0.459 32.179 32.600 0.064 0.000 1.396 285 M HN 0.279 nan 8.290 nan 0.000 0.430 286 M N -1.535 117.960 119.600 -0.176 0.000 2.086 286 M HA -0.255 4.225 4.480 -0.000 0.000 0.261 286 M C 1.553 177.705 176.300 -0.246 0.000 1.067 286 M CA 1.900 57.054 55.300 -0.243 0.000 1.116 286 M CB -0.317 32.150 32.600 -0.221 0.000 1.348 286 M HN 0.250 nan 8.290 nan 0.000 0.407 287 Y N 0.240 120.409 120.300 -0.219 0.000 2.314 287 Y HA 0.001 4.551 4.550 -0.000 0.000 0.293 287 Y C 2.611 178.343 175.900 -0.280 0.000 1.129 287 Y CA 1.269 59.160 58.100 -0.349 0.000 1.201 287 Y CB -0.913 37.124 38.460 -0.705 0.000 0.999 287 Y HN 0.383 nan 8.280 nan 0.000 0.541 288 A N -0.706 122.095 122.820 -0.031 0.000 1.908 288 A HA -0.203 4.117 4.320 -0.000 0.000 0.218 288 A C 2.289 179.930 177.584 0.094 0.000 1.181 288 A CA 2.389 54.534 52.037 0.180 0.000 0.627 288 A CB -1.113 18.036 19.000 0.248 0.000 0.818 288 A HN 0.398 nan 8.150 nan 0.000 0.445 289 T N 0.005 114.556 114.554 -0.006 0.000 2.812 289 T HA 0.001 4.350 4.350 -0.000 0.000 0.264 289 T C 1.811 176.448 174.700 -0.106 0.000 1.042 289 T CA 1.278 63.331 62.100 -0.080 0.000 1.140 289 T CB -0.345 68.440 68.868 -0.139 0.000 0.870 289 T HN 0.404 nan 8.240 nan 0.000 0.445 290 I N -0.542 119.949 120.570 -0.132 0.000 2.163 290 I HA -0.196 3.974 4.170 -0.000 0.000 0.243 290 I C 2.180 178.198 176.117 -0.165 0.000 1.085 290 I CA 1.533 62.712 61.300 -0.201 0.000 1.347 290 I CB -0.254 37.580 38.000 -0.277 0.000 1.044 290 I HN 0.340 nan 8.210 nan 0.000 0.408 291 W N 0.335 121.626 121.300 -0.014 0.000 2.418 291 W HA -0.093 4.567 4.660 -0.001 0.000 0.292 291 W C 2.443 178.952 176.519 -0.015 0.000 1.213 291 W CA 0.477 57.826 57.345 0.006 0.000 1.283 291 W CB -0.241 29.220 29.460 0.002 0.000 1.119 291 W HN 0.082 nan 8.180 nan 0.000 0.542 292 L N 0.623 121.940 121.223 0.156 0.000 2.012 292 L HA -0.270 4.069 4.340 -0.000 0.000 0.210 292 L C 2.511 179.422 176.870 0.069 0.000 1.073 292 L CA 1.720 56.606 54.840 0.076 0.000 0.748 292 L CB -0.320 41.749 42.059 0.017 0.000 0.891 292 L HN -0.054 nan 8.230 nan 0.000 0.431 293 R N -0.327 120.162 120.500 -0.018 0.000 2.081 293 R HA -0.238 4.102 4.340 -0.000 0.000 0.235 293 R C 2.175 178.466 176.300 -0.016 0.000 1.131 293 R CA 1.647 57.700 56.100 -0.077 0.000 0.960 293 R CB -0.259 29.952 30.300 -0.149 0.000 0.856 293 R HN 0.337 nan 8.270 nan 0.000 0.436 294 E N -0.335 119.878 120.200 0.022 0.000 2.085 294 E HA -0.246 4.104 4.350 -0.000 0.000 0.194 294 E C 1.700 178.391 176.600 0.152 0.000 0.994 294 E CA 1.890 58.326 56.400 0.060 0.000 0.801 294 E CB -0.208 29.528 29.700 0.060 0.000 0.743 294 E HN 0.501 nan 8.360 nan 0.000 0.453 295 H N -0.235 118.923 119.070 0.146 0.000 2.293 295 H HA -0.044 4.512 4.556 -0.000 0.000 0.300 295 H C 1.644 177.046 175.328 0.123 0.000 1.082 295 H CA 2.234 58.387 56.048 0.174 0.000 1.308 295 H CB -0.138 29.751 29.762 0.213 0.000 1.375 295 H HN 0.134 nan 8.280 nan 0.000 0.495 296 N N 0.274 119.085 118.700 0.186 0.000 2.244 296 N HA -0.129 4.611 4.740 -0.000 0.000 0.183 296 N C 1.977 177.485 175.510 -0.004 0.000 1.016 296 N CA 0.876 53.979 53.050 0.088 0.000 0.866 296 N CB -0.349 38.158 38.487 0.034 0.000 0.980 296 N HN 0.420 nan 8.380 nan 0.000 0.430 297 R N 0.776 121.268 120.500 -0.013 0.000 2.073 297 R HA -0.039 4.300 4.340 -0.000 0.000 0.234 297 R C 1.650 177.942 176.300 -0.013 0.000 1.134 297 R CA 1.110 57.196 56.100 -0.023 0.000 0.952 297 R CB -0.240 30.044 30.300 -0.026 0.000 0.850 297 R HN -0.009 nan 8.270 nan 0.000 0.433 298 V N 0.354 120.259 119.914 -0.016 0.000 2.427 298 V HA -0.291 3.828 4.120 -0.000 0.000 0.248 298 V C 2.557 178.641 176.094 -0.017 0.000 1.051 298 V CA 1.554 63.850 62.300 -0.006 0.000 1.048 298 V CB -0.448 31.384 31.823 0.015 0.000 0.666 298 V HN 0.524 nan 8.190 nan 0.000 0.456 299 C N 0.135 119.391 119.300 -0.072 0.000 2.413 299 C HA -0.185 4.275 4.460 -0.000 0.000 0.276 299 C C 2.536 177.550 174.990 0.040 0.000 1.248 299 C CA 1.119 60.130 59.018 -0.012 0.000 1.742 299 C CB -1.035 26.701 27.740 -0.006 0.000 2.017 299 C HN 0.606 nan 8.230 nan 0.000 0.481 300 D N 0.606 121.019 120.400 0.022 0.000 2.117 300 D HA -0.078 4.562 4.640 -0.000 0.000 0.197 300 D C 1.918 178.228 176.300 0.016 0.000 0.987 300 D CA 1.158 55.172 54.000 0.023 0.000 0.829 300 D CB -0.380 40.424 40.800 0.007 0.000 0.961 300 D HN 0.478 nan 8.370 nan 0.000 0.460 301 I N 0.568 121.145 120.570 0.012 0.000 2.179 301 I HA -0.234 3.936 4.170 -0.000 0.000 0.242 301 I C 2.473 178.591 176.117 0.003 0.000 1.088 301 I CA 0.704 62.007 61.300 0.004 0.000 1.357 301 I CB -0.131 37.877 38.000 0.012 0.000 1.051 301 I HN -0.034 nan 8.210 nan 0.000 0.409 302 L N 0.528 121.777 121.223 0.045 0.000 2.083 302 L HA -0.234 4.106 4.340 -0.000 0.000 0.209 302 L C 2.609 179.495 176.870 0.028 0.000 1.083 302 L CA 1.388 56.272 54.840 0.073 0.000 0.752 302 L CB -0.519 41.658 42.059 0.197 0.000 0.899 302 L HN 0.239 nan 8.230 nan 0.000 0.433 303 K N 0.206 120.642 120.400 0.059 0.000 2.097 303 K HA -0.276 4.044 4.320 -0.000 0.000 0.206 303 K C 2.175 178.763 176.600 -0.020 0.000 1.049 303 K CA 1.599 57.921 56.287 0.057 0.000 0.933 303 K CB 0.023 32.570 32.500 0.078 0.000 0.717 303 K HN 0.145 nan 8.250 nan 0.000 0.442 304 Q N 0.560 120.335 119.800 -0.041 0.000 2.124 304 Q HA -0.162 4.178 4.340 -0.000 0.000 0.202 304 Q C 1.498 177.405 176.000 -0.156 0.000 0.977 304 Q CA 1.688 57.447 55.803 -0.073 0.000 0.850 304 Q CB 0.151 28.855 28.738 -0.056 0.000 0.901 304 Q HN 0.277 nan 8.270 nan 0.000 0.429 305 E N -0.457 119.598 120.200 -0.242 0.000 2.216 305 E HA -0.048 4.301 4.350 -0.000 0.000 0.192 305 E C 0.098 176.214 176.600 -0.807 0.000 0.988 305 E CA 0.730 56.837 56.400 -0.489 0.000 0.834 305 E CB 0.301 29.672 29.700 -0.548 0.000 0.772 305 E HN 0.464 nan 8.360 nan 0.000 0.479 306 H N 0.053 118.893 119.070 -0.383 0.000 2.380 306 H HA 0.166 4.722 4.556 -0.000 0.000 0.231 306 H C -1.842 173.347 175.328 -0.232 0.000 1.415 306 H CA -1.532 54.190 56.048 -0.543 0.000 1.433 306 H CB 1.245 30.142 29.762 -1.441 0.000 1.544 306 H HN -0.009 nan 8.280 nan 0.000 0.503 307 P HA -0.121 nan 4.420 nan 0.000 0.225 307 P C 0.668 178.023 177.300 0.092 0.000 1.148 307 P CA 0.925 64.041 63.100 0.027 0.000 0.779 307 P CB 0.458 32.158 31.700 -0.000 0.000 0.780 308 E N -2.086 118.180 120.200 0.110 0.000 2.427 308 E HA -0.057 4.293 4.350 -0.000 0.000 0.196 308 E C 0.408 177.212 176.600 0.339 0.000 1.028 308 E CA 0.266 56.779 56.400 0.189 0.000 0.864 308 E CB -0.652 29.166 29.700 0.198 0.000 0.813 308 E HN 0.254 nan 8.360 nan 0.000 0.514 309 W N 1.625 122.974 121.300 0.082 0.000 2.251 309 W HA 0.578 5.237 4.660 -0.001 0.000 0.329 309 W C 1.111 177.663 176.519 0.056 0.000 1.234 309 W CA -1.054 56.323 57.345 0.053 0.000 1.228 309 W CB 0.613 30.101 29.460 0.046 0.000 1.135 309 W HN -0.016 nan 8.180 nan 0.000 0.576 310 G N 0.856 109.774 108.800 0.198 0.000 2.535 310 G HA2 0.104 4.064 3.960 -0.000 0.000 0.303 310 G HA3 0.104 4.064 3.960 -0.000 0.000 0.303 310 G C 0.349 175.329 174.900 0.133 0.000 1.237 310 G CA -0.204 44.974 45.100 0.129 0.000 0.986 310 G HN 0.482 nan 8.290 nan 0.000 0.494 311 D N -0.945 119.533 120.400 0.128 0.000 2.116 311 D HA -0.165 4.474 4.640 -0.000 0.000 0.193 311 D C 2.055 178.439 176.300 0.141 0.000 0.998 311 D CA 1.544 55.633 54.000 0.148 0.000 0.836 311 D CB 0.177 41.072 40.800 0.157 0.000 0.951 311 D HN 0.300 nan 8.370 nan 0.000 0.449 312 E N 0.102 120.359 120.200 0.094 0.000 2.038 312 E HA -0.236 4.114 4.350 -0.000 0.000 0.195 312 E C 2.045 178.683 176.600 0.063 0.000 1.000 312 E CA 1.003 57.456 56.400 0.089 0.000 0.803 312 E CB -0.431 29.292 29.700 0.039 0.000 0.750 312 E HN 0.544 nan 8.360 nan 0.000 0.448 313 Q N 0.030 119.776 119.800 -0.090 0.000 2.167 313 Q HA -0.077 4.263 4.340 -0.000 0.000 0.202 313 Q C 2.409 178.297 176.000 -0.186 0.000 0.970 313 Q CA 0.790 56.397 55.803 -0.327 0.000 0.855 313 Q CB -0.008 28.254 28.738 -0.794 0.000 0.911 313 Q HN 0.220 nan 8.270 nan 0.000 0.438 314 L N -0.318 120.949 121.223 0.073 0.000 2.056 314 L HA -0.134 4.205 4.340 -0.000 0.000 0.207 314 L C 2.254 179.233 176.870 0.183 0.000 1.078 314 L CA 1.088 56.074 54.840 0.243 0.000 0.749 314 L CB -0.447 41.780 42.059 0.280 0.000 0.901 314 L HN 0.320 nan 8.230 nan 0.000 0.433 315 F N 0.425 120.422 119.950 0.078 0.000 2.113 315 F HA -0.230 4.297 4.527 -0.000 0.000 0.297 315 F C 2.704 178.550 175.800 0.077 0.000 1.103 315 F CA 1.508 59.585 58.000 0.128 0.000 1.248 315 F CB -0.160 38.880 39.000 0.066 0.000 0.999 315 F HN 0.019 nan 8.300 nan 0.000 0.475 316 Q N 0.045 119.861 119.800 0.026 0.000 2.079 316 Q HA -0.128 4.212 4.340 -0.000 0.000 0.200 316 Q C 2.230 178.157 176.000 -0.122 0.000 0.974 316 Q CA 2.190 57.931 55.803 -0.103 0.000 0.840 316 Q CB -1.088 27.658 28.738 0.014 0.000 0.898 316 Q HN 0.432 nan 8.270 nan 0.000 0.430 317 T N 0.941 115.466 114.554 -0.049 0.000 2.777 317 T HA -0.077 4.273 4.350 -0.000 0.000 0.266 317 T C 2.193 176.952 174.700 0.098 0.000 1.040 317 T CA 1.411 63.547 62.100 0.060 0.000 1.141 317 T CB -0.173 68.796 68.868 0.170 0.000 0.868 317 T HN 0.182 nan 8.240 nan 0.000 0.444 318 S N 0.983 116.692 115.700 0.015 0.000 2.370 318 S HA -0.123 4.346 4.470 -0.000 0.000 0.226 318 S C 2.091 176.718 174.600 0.044 0.000 1.033 318 S CA 1.164 59.352 58.200 -0.020 0.000 1.011 318 S CB -0.286 62.732 63.200 -0.303 0.000 0.852 318 S HN 0.461 nan 8.310 nan 0.000 0.457 319 R N 1.025 121.445 120.500 -0.132 0.000 2.091 319 R HA -0.056 4.284 4.340 -0.000 0.000 0.238 319 R C 2.127 178.464 176.300 0.062 0.000 1.136 319 R CA 1.271 57.264 56.100 -0.177 0.000 0.959 319 R CB -0.401 29.426 30.300 -0.788 0.000 0.856 319 R HN 0.359 nan 8.270 nan 0.000 0.437 320 L N 0.307 121.594 121.223 0.107 0.000 2.083 320 L HA -0.168 4.172 4.340 -0.000 0.000 0.209 320 L C 2.454 179.568 176.870 0.406 0.000 1.083 320 L CA 1.138 56.155 54.840 0.295 0.000 0.752 320 L CB -0.319 41.947 42.059 0.346 0.000 0.899 320 L HN 0.300 nan 8.230 nan 0.000 0.433 321 I N -0.610 120.168 120.570 0.346 0.000 2.202 321 I HA -0.298 3.872 4.170 -0.000 0.000 0.242 321 I C 2.332 178.595 176.117 0.244 0.000 1.091 321 I CA 1.080 62.539 61.300 0.265 0.000 1.368 321 I CB -0.110 38.027 38.000 0.227 0.000 1.058 321 I HN 0.177 nan 8.210 nan 0.000 0.410 322 L N 0.323 121.711 121.223 0.276 0.000 2.131 322 L HA -0.186 4.154 4.340 -0.000 0.000 0.210 322 L C 2.289 179.292 176.870 0.222 0.000 1.092 322 L CA 1.732 56.764 54.840 0.320 0.000 0.759 322 L CB -0.539 41.748 42.059 0.380 0.000 0.903 322 L HN 0.173 nan 8.230 nan 0.000 0.435 323 I N -1.043 119.656 120.570 0.215 0.000 2.226 323 I HA -0.248 3.922 4.170 -0.000 0.000 0.245 323 I C 2.498 178.727 176.117 0.187 0.000 1.100 323 I CA 1.432 62.841 61.300 0.181 0.000 1.374 323 I CB -0.921 37.204 38.000 0.209 0.000 1.057 323 I HN 0.349 nan 8.210 nan 0.000 0.413 324 G N 0.368 109.318 108.800 0.250 0.000 2.421 324 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.216 324 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.216 324 G C 1.495 176.515 174.900 0.201 0.000 1.171 324 G CA 0.582 45.849 45.100 0.279 0.000 0.775 324 G HN 0.412 nan 8.290 nan 0.000 0.543 325 E N -0.069 120.267 120.200 0.227 0.000 2.085 325 E HA -0.127 4.222 4.350 -0.000 0.000 0.194 325 E C 2.753 179.511 176.600 0.264 0.000 0.994 325 E CA 1.505 58.065 56.400 0.265 0.000 0.801 325 E CB -0.328 29.602 29.700 0.384 0.000 0.743 325 E HN 0.349 nan 8.360 nan 0.000 0.453 326 T N 1.543 116.236 114.554 0.231 0.000 2.708 326 T HA -0.125 4.224 4.350 -0.000 0.000 0.266 326 T C 2.034 176.734 174.700 0.001 0.000 1.037 326 T CA 1.001 63.198 62.100 0.162 0.000 1.146 326 T CB -0.195 68.676 68.868 0.005 0.000 0.865 326 T HN 0.115 nan 8.240 nan 0.000 0.435 327 I N 0.829 121.322 120.570 -0.127 0.000 2.315 327 I HA -0.148 4.022 4.170 -0.000 0.000 0.248 327 I C 2.535 178.313 176.117 -0.566 0.000 1.117 327 I CA 1.059 62.127 61.300 -0.388 0.000 1.404 327 I CB -0.300 37.337 38.000 -0.604 0.000 1.071 327 I HN 0.133 nan 8.210 nan 0.000 0.419 328 K N 1.939 122.048 120.400 -0.485 0.000 2.032 328 K HA -0.153 4.167 4.320 -0.000 0.000 0.209 328 K C 1.855 178.454 176.600 -0.003 0.000 1.048 328 K CA 1.858 58.058 56.287 -0.145 0.000 0.927 328 K CB -0.395 32.202 32.500 0.161 0.000 0.712 328 K HN 0.262 nan 8.250 nan 0.000 0.441 329 I N -0.080 120.517 120.570 0.044 0.000 2.353 329 I HA -0.204 3.966 4.170 -0.000 0.000 0.248 329 I C 2.018 178.171 176.117 0.061 0.000 1.119 329 I CA 0.637 61.987 61.300 0.083 0.000 1.417 329 I CB -0.093 38.011 38.000 0.173 0.000 1.078 329 I HN -0.034 nan 8.210 nan 0.000 0.421 330 V N 1.160 121.057 119.914 -0.029 0.000 2.343 330 V HA -0.272 3.848 4.120 -0.000 0.000 0.247 330 V C 2.255 178.413 176.094 0.106 0.000 1.051 330 V CA 1.880 64.132 62.300 -0.081 0.000 1.036 330 V CB -0.315 31.280 31.823 -0.380 0.000 0.654 330 V HN 0.320 nan 8.190 nan 0.000 0.451 331 I N -0.452 120.148 120.570 0.049 0.000 2.193 331 I HA -0.156 4.014 4.170 -0.000 0.000 0.240 331 I C 2.411 178.605 176.117 0.128 0.000 1.084 331 I CA 1.531 62.896 61.300 0.109 0.000 1.365 331 I CB -0.275 37.781 38.000 0.092 0.000 1.064 331 I HN 0.316 nan 8.210 nan 0.000 0.410 332 E N 0.085 120.350 120.200 0.108 0.000 2.385 332 E HA -0.091 4.259 4.350 -0.000 0.000 0.194 332 E C 0.928 177.585 176.600 0.095 0.000 1.013 332 E CA 0.533 56.986 56.400 0.089 0.000 0.866 332 E CB 0.300 30.049 29.700 0.081 0.000 0.832 332 E HN 0.482 nan 8.360 nan 0.000 0.500 333 D N -0.619 119.870 120.400 0.147 0.000 2.995 333 D HA -0.045 4.595 4.640 -0.000 0.000 0.289 333 D C 1.539 178.095 176.300 0.426 0.000 1.116 333 D CA 0.258 54.380 54.000 0.203 0.000 0.994 333 D CB -0.335 40.529 40.800 0.107 0.000 1.209 333 D HN 0.044 nan 8.370 nan 0.000 0.458 334 Y N 2.347 122.821 120.300 0.289 0.000 2.092 334 Y HA -0.175 4.375 4.550 -0.000 0.000 0.282 334 Y C 2.200 178.236 175.900 0.228 0.000 1.126 334 Y CA 1.534 59.738 58.100 0.173 0.000 1.111 334 Y CB -0.355 38.058 38.460 -0.078 0.000 0.987 334 Y HN -0.262 nan 8.280 nan 0.000 0.489 335 V N 0.649 120.771 119.914 0.346 0.000 2.515 335 V HA -0.264 3.856 4.120 -0.000 0.000 0.250 335 V C 2.255 178.370 176.094 0.035 0.000 1.058 335 V CA 1.931 64.350 62.300 0.199 0.000 1.064 335 V CB -0.762 31.215 31.823 0.257 0.000 0.675 335 V HN 0.418 nan 8.190 nan 0.000 0.461 336 Q N 0.640 120.486 119.800 0.077 0.000 2.061 336 Q HA -0.276 4.064 4.340 -0.000 0.000 0.204 336 Q C 2.152 178.121 176.000 -0.051 0.000 0.984 336 Q CA 2.619 58.426 55.803 0.006 0.000 0.846 336 Q CB -0.558 28.213 28.738 0.055 0.000 0.902 336 Q HN 0.840 nan 8.270 nan 0.000 0.421 337 H N -0.903 118.135 119.070 -0.054 0.000 2.321 337 H HA -0.101 4.455 4.556 -0.000 0.000 0.300 337 H C 1.531 176.696 175.328 -0.271 0.000 1.087 337 H CA 1.753 57.725 56.048 -0.126 0.000 1.319 337 H CB -0.366 29.367 29.762 -0.049 0.000 1.379 337 H HN 0.319 nan 8.280 nan 0.000 0.501 338 L N 0.711 121.654 121.223 -0.468 0.000 2.083 338 L HA -0.146 4.194 4.340 -0.000 0.000 0.209 338 L C 2.749 179.328 176.870 -0.485 0.000 1.083 338 L CA 1.994 56.497 54.840 -0.562 0.000 0.752 338 L CB -1.184 40.743 42.059 -0.220 0.000 0.899 338 L HN 0.614 nan 8.230 nan 0.000 0.433 339 S N -1.037 114.387 115.700 -0.461 0.000 2.402 339 S HA -0.001 4.469 4.470 -0.000 0.000 0.229 339 S C 1.779 176.054 174.600 -0.541 0.000 1.021 339 S CA 0.743 58.524 58.200 -0.699 0.000 0.974 339 S CB -0.723 61.647 63.200 -1.384 0.000 0.800 339 S HN 0.588 nan 8.310 nan 0.000 0.484 340 G N 0.106 108.645 108.800 -0.435 0.000 2.166 340 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.260 340 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.260 340 G C -0.128 174.621 174.900 -0.252 0.000 0.986 340 G CA 0.511 45.422 45.100 -0.314 0.000 0.683 340 G HN 0.543 nan 8.290 nan 0.000 0.527 341 Y N -0.256 119.898 120.300 -0.244 0.000 2.480 341 Y HA 0.389 4.939 4.550 -0.000 0.000 0.338 341 Y C 1.724 177.419 175.900 -0.342 0.000 1.220 341 Y CA -0.145 57.768 58.100 -0.311 0.000 1.430 341 Y CB 0.312 38.664 38.460 -0.179 0.000 1.311 341 Y HN 0.324 nan 8.280 nan 0.000 0.575 342 H N 0.824 119.817 119.070 -0.129 0.000 2.525 342 H HA 0.011 4.566 4.556 -0.000 0.000 0.275 342 H C 0.079 175.322 175.328 -0.142 0.000 0.984 342 H CA -0.183 55.799 56.048 -0.111 0.000 1.264 342 H CB 0.201 29.970 29.762 0.010 0.000 1.432 342 H HN 0.423 nan 8.280 nan 0.000 0.549 343 F N 2.757 122.380 119.950 -0.545 0.000 2.529 343 F HA 0.089 4.616 4.527 -0.000 0.000 0.365 343 F C 0.400 176.154 175.800 -0.077 0.000 1.102 343 F CA -0.514 57.239 58.000 -0.411 0.000 1.271 343 F CB 0.466 38.951 39.000 -0.858 0.000 1.120 343 F HN -0.211 nan 8.300 nan 0.000 0.579 344 K N 8.014 127.933 120.400 -0.801 0.000 2.250 344 K HA 0.301 4.620 4.320 -0.000 0.000 0.280 344 K C -0.562 175.534 176.600 -0.840 0.000 1.098 344 K CA -0.456 55.487 56.287 -0.574 0.000 0.916 344 K CB 0.203 32.525 32.500 -0.296 0.000 1.209 344 K HN 0.709 nan 8.250 nan 0.000 0.461 345 L N 3.247 124.207 121.223 -0.439 0.000 2.483 345 L HA 0.110 4.450 4.340 -0.000 0.000 0.275 345 L C 0.366 177.176 176.870 -0.100 0.000 1.220 345 L CA 0.479 55.203 54.840 -0.193 0.000 0.833 345 L CB 0.285 42.369 42.059 0.040 0.000 1.102 345 L HN 0.519 nan 8.230 nan 0.000 0.490 346 K N 1.824 122.228 120.400 0.007 0.000 2.427 346 K HA 0.332 4.652 4.320 -0.000 0.000 0.252 346 K C -1.348 175.335 176.600 0.138 0.000 0.931 346 K CA -0.728 55.590 56.287 0.051 0.000 0.793 346 K CB 1.596 34.109 32.500 0.022 0.000 1.211 346 K HN 0.286 nan 8.250 nan 0.000 0.426 347 F N 4.578 124.521 119.950 -0.012 0.000 2.368 347 F HA 0.325 4.852 4.527 -0.000 0.000 0.362 347 F C -0.906 174.849 175.800 -0.075 0.000 1.137 347 F CA -0.718 57.259 58.000 -0.038 0.000 1.161 347 F CB 0.476 39.472 39.000 -0.007 0.000 1.265 347 F HN 0.445 nan 8.300 nan 0.000 0.530 348 D N 8.437 128.582 120.400 -0.425 0.000 2.323 348 D HA 0.306 4.946 4.640 -0.000 0.000 0.242 348 D C -2.266 173.649 176.300 -0.641 0.000 1.347 348 D CA -1.876 51.803 54.000 -0.536 0.000 0.988 348 D CB 1.895 42.562 40.800 -0.222 0.000 1.314 348 D HN 0.165 nan 8.370 nan 0.000 0.564 349 P HA -0.136 nan 4.420 nan 0.000 0.217 349 P C 0.915 177.556 177.300 -1.098 0.000 1.148 349 P CA 1.077 63.609 63.100 -0.947 0.000 0.828 349 P CB 0.366 31.231 31.700 -1.393 0.000 0.783 350 E N -0.533 119.005 120.200 -1.102 0.000 2.209 350 E HA -0.149 4.201 4.350 -0.000 0.000 0.196 350 E C 1.866 178.060 176.600 -0.676 0.000 0.993 350 E CA 0.736 56.373 56.400 -1.271 0.000 0.819 350 E CB -0.658 28.820 29.700 -0.369 0.000 0.745 350 E HN 0.336 nan 8.360 nan 0.000 0.477 351 L N 0.442 121.415 121.223 -0.416 0.000 2.261 351 L HA -0.162 4.177 4.340 -0.000 0.000 0.216 351 L C 2.110 178.893 176.870 -0.146 0.000 1.114 351 L CA 0.781 55.506 54.840 -0.191 0.000 0.777 351 L CB -0.177 41.803 42.059 -0.132 0.000 0.910 351 L HN 0.181 nan 8.230 nan 0.000 0.440 352 L N -2.239 118.852 121.223 -0.220 0.000 2.616 352 L HA 0.058 4.397 4.340 -0.000 0.000 0.229 352 L C 1.988 178.993 176.870 0.225 0.000 1.110 352 L CA 0.007 54.811 54.840 -0.060 0.000 0.884 352 L CB -0.087 41.844 42.059 -0.214 0.000 1.115 352 L HN 0.181 nan 8.230 nan 0.000 0.481 353 F N 1.467 121.482 119.950 0.108 0.000 2.293 353 F HA -0.157 4.370 4.527 -0.000 0.000 0.300 353 F C 1.817 177.696 175.800 0.132 0.000 1.086 353 F CA 0.444 58.535 58.000 0.152 0.000 1.375 353 F CB -0.002 39.081 39.000 0.139 0.000 1.045 353 F HN 0.396 nan 8.300 nan 0.000 0.516 354 N N -0.104 118.766 118.700 0.283 0.000 2.279 354 N HA 0.053 4.793 4.740 -0.000 0.000 0.226 354 N C -0.368 175.234 175.510 0.153 0.000 1.126 354 N CA 0.033 53.198 53.050 0.191 0.000 0.846 354 N CB 0.106 38.684 38.487 0.152 0.000 1.050 354 N HN 0.213 nan 8.380 nan 0.000 0.502 355 Q N 0.262 120.166 119.800 0.172 0.000 2.399 355 Q HA 0.378 4.718 4.340 -0.000 0.000 0.276 355 Q C -1.114 174.983 176.000 0.162 0.000 1.098 355 Q CA -0.540 55.347 55.803 0.139 0.000 0.827 355 Q CB 1.914 30.716 28.738 0.107 0.000 1.386 355 Q HN 0.208 nan 8.270 nan 0.000 0.443 356 Q N 1.603 121.485 119.800 0.137 0.000 2.295 356 Q HA 0.500 4.840 4.340 -0.000 0.000 0.259 356 Q C -1.247 174.865 176.000 0.186 0.000 0.976 356 Q CA 0.098 55.979 55.803 0.130 0.000 0.923 356 Q CB 0.662 29.450 28.738 0.084 0.000 1.185 356 Q HN 0.499 nan 8.270 nan 0.000 0.410 357 F N 1.380 121.287 119.950 -0.072 0.000 2.652 357 F HA 0.133 4.660 4.527 -0.000 0.000 0.320 357 F C -1.599 174.017 175.800 -0.306 0.000 1.115 357 F CA -0.813 57.071 58.000 -0.193 0.000 1.053 357 F CB 1.575 40.411 39.000 -0.273 0.000 1.297 357 F HN 0.299 nan 8.300 nan 0.000 0.471 358 Q N 5.593 124.809 119.800 -0.973 0.000 2.331 358 Q HA 0.205 4.545 4.340 -0.000 0.000 0.257 358 Q C -1.182 174.350 176.000 -0.781 0.000 0.957 358 Q CA -0.278 55.136 55.803 -0.648 0.000 0.923 358 Q CB 1.022 29.517 28.738 -0.407 0.000 1.212 358 Q HN 0.693 nan 8.270 nan 0.000 0.443 359 Y N 3.130 123.360 120.300 -0.116 0.000 2.603 359 Y HA 0.032 4.581 4.550 -0.000 0.000 0.341 359 Y C 0.828 176.710 175.900 -0.031 0.000 1.272 359 Y CA -0.076 58.040 58.100 0.026 0.000 1.891 359 Y CB 0.074 38.618 38.460 0.140 0.000 1.910 359 Y HN 0.440 nan 8.280 nan 0.000 0.432 360 Q N 0.124 119.909 119.800 -0.026 0.000 2.756 360 Q HA 0.536 4.875 4.340 -0.000 0.000 0.295 360 Q C -2.040 173.914 176.000 -0.076 0.000 0.903 360 Q CA -1.293 54.495 55.803 -0.026 0.000 0.768 360 Q CB 2.076 30.794 28.738 -0.034 0.000 1.472 360 Q HN 0.306 nan 8.270 nan 0.000 0.416 361 N N -0.551 118.113 118.700 -0.061 0.000 2.745 361 N HA 0.571 5.311 4.740 -0.000 0.000 0.256 361 N C -2.268 173.190 175.510 -0.088 0.000 1.268 361 N CA -0.492 52.519 53.050 -0.066 0.000 0.887 361 N CB 2.363 40.827 38.487 -0.039 0.000 1.575 361 N HN 0.623 nan 8.380 nan 0.000 0.496 362 R N 2.574 123.020 120.500 -0.090 0.000 2.532 362 R HA 0.530 4.870 4.340 -0.000 0.000 0.297 362 R C -1.026 175.324 176.300 0.083 0.000 0.984 362 R CA -0.597 55.411 56.100 -0.155 0.000 0.884 362 R CB 0.645 30.782 30.300 -0.272 0.000 1.182 362 R HN 0.547 nan 8.270 nan 0.000 0.442 363 I N 3.612 124.416 120.570 0.391 0.000 2.598 363 I HA 0.196 4.365 4.170 -0.000 0.000 0.284 363 I C 0.524 176.833 176.117 0.319 0.000 1.140 363 I CA 0.013 61.516 61.300 0.337 0.000 1.420 363 I CB 0.485 38.731 38.000 0.410 0.000 1.387 363 I HN 0.703 nan 8.210 nan 0.000 0.553 364 A N 4.867 127.745 122.820 0.097 0.000 2.331 364 A HA 0.273 4.593 4.320 -0.000 0.000 0.283 364 A C 1.305 178.793 177.584 -0.160 0.000 1.142 364 A CA -0.134 51.862 52.037 -0.068 0.000 0.812 364 A CB 0.767 19.528 19.000 -0.398 0.000 1.074 364 A HN 0.816 nan 8.150 nan 0.000 0.497 365 S N 1.360 116.982 115.700 -0.129 0.000 2.374 365 S HA -0.209 4.260 4.470 -0.000 0.000 0.227 365 S C 1.584 176.044 174.600 -0.234 0.000 1.037 365 S CA 2.443 60.473 58.200 -0.284 0.000 1.024 365 S CB -0.353 62.836 63.200 -0.019 0.000 0.861 365 S HN 0.798 nan 8.310 nan 0.000 0.456 366 E N 0.049 120.138 120.200 -0.184 0.000 2.150 366 E HA -0.032 4.318 4.350 -0.000 0.000 0.193 366 E C 1.605 178.099 176.600 -0.177 0.000 0.985 366 E CA 0.989 57.298 56.400 -0.152 0.000 0.814 366 E CB -0.334 29.272 29.700 -0.156 0.000 0.752 366 E HN 0.597 nan 8.360 nan 0.000 0.466 367 F N 2.074 121.628 119.950 -0.659 0.000 2.134 367 F HA -0.172 4.355 4.527 -0.000 0.000 0.299 367 F C 1.954 177.541 175.800 -0.355 0.000 1.097 367 F CA 1.287 59.006 58.000 -0.468 0.000 1.264 367 F CB -0.490 38.157 39.000 -0.587 0.000 1.001 367 F HN 0.023 nan 8.300 nan 0.000 0.479 368 N N 0.000 118.237 118.700 -0.772 0.000 2.069 368 N HA -0.174 4.566 4.740 -0.000 0.000 0.191 368 N C 1.701 176.831 175.510 -0.633 0.000 1.031 368 N CA 2.259 54.407 53.050 -1.502 0.000 0.852 368 N CB -0.566 37.149 38.487 -1.287 0.000 1.018 368 N HN 0.303 nan 8.380 nan 0.000 0.423 369 T N 1.962 116.302 114.554 -0.356 0.000 2.708 369 T HA -0.132 4.218 4.350 -0.000 0.000 0.266 369 T C 1.940 176.635 174.700 -0.008 0.000 1.037 369 T CA 1.643 63.598 62.100 -0.242 0.000 1.146 369 T CB -0.366 68.411 68.868 -0.152 0.000 0.865 369 T HN 0.418 nan 8.240 nan 0.000 0.435 370 L N -1.091 120.145 121.223 0.022 0.000 2.275 370 L HA 0.119 4.458 4.340 -0.000 0.000 0.215 370 L C 1.888 178.818 176.870 0.100 0.000 1.119 370 L CA 1.471 56.384 54.840 0.122 0.000 0.790 370 L CB -1.190 40.947 42.059 0.130 0.000 0.919 370 L HN 0.149 nan 8.230 nan 0.000 0.443 371 Y N 0.121 120.271 120.300 -0.251 0.000 2.471 371 Y HA 0.145 4.694 4.550 -0.000 0.000 0.286 371 Y C 0.813 176.311 175.900 -0.669 0.000 1.188 371 Y CA -0.123 57.501 58.100 -0.792 0.000 1.286 371 Y CB -0.223 37.769 38.460 -0.780 0.000 1.072 371 Y HN 0.281 nan 8.280 nan 0.000 0.517 372 H N 0.039 119.030 119.070 -0.133 0.000 3.216 372 H HA -0.076 4.480 4.556 -0.001 0.000 0.263 372 H C -0.508 174.958 175.328 0.229 0.000 1.601 372 H CA -0.128 55.928 56.048 0.014 0.000 1.509 372 H CB -0.295 29.581 29.762 0.191 0.000 1.759 372 H HN 0.399 nan 8.280 nan 0.000 0.533 373 W N 1.782 123.054 121.300 -0.046 0.000 2.960 373 W HA 0.118 4.778 4.660 -0.001 0.000 0.442 373 W C 0.773 177.306 176.519 0.023 0.000 0.774 373 W CA -0.939 56.432 57.345 0.043 0.000 2.207 373 W CB -1.102 28.422 29.460 0.106 0.000 1.159 373 W HN 0.666 nan 8.180 nan 0.000 0.845 374 H N 0.265 119.576 119.070 0.402 0.000 2.489 374 H HA -0.088 4.467 4.556 -0.000 0.000 0.293 374 H C -0.589 174.894 175.328 0.259 0.000 1.066 374 H CA 1.233 57.466 56.048 0.308 0.000 1.305 374 H CB -1.037 28.893 29.762 0.280 0.000 1.386 374 H HN 0.006 nan 8.280 nan 0.000 0.551 375 P HA -0.131 nan 4.420 nan 0.000 0.225 375 P C 1.073 178.486 177.300 0.189 0.000 1.148 375 P CA 0.966 64.190 63.100 0.207 0.000 0.779 375 P CB 0.028 31.801 31.700 0.121 0.000 0.780 376 L N -1.693 119.655 121.223 0.209 0.000 2.127 376 L HA -0.122 4.218 4.340 -0.000 0.000 0.211 376 L C 1.133 178.109 176.870 0.177 0.000 1.089 376 L CA 0.613 55.561 54.840 0.180 0.000 0.757 376 L CB -0.704 41.486 42.059 0.218 0.000 0.899 376 L HN 0.008 nan 8.230 nan 0.000 0.434 377 L N 1.372 122.723 121.223 0.212 0.000 2.416 377 L HA 0.132 4.472 4.340 -0.000 0.000 0.272 377 L C -1.836 175.096 176.870 0.103 0.000 1.161 377 L CA -1.611 53.326 54.840 0.161 0.000 0.845 377 L CB 0.018 42.314 42.059 0.396 0.000 1.119 377 L HN -0.111 nan 8.230 nan 0.000 0.464 378 P HA 0.115 nan 4.420 nan 0.000 0.277 378 P C -0.444 176.638 177.300 -0.364 0.000 1.271 378 P CA -0.440 62.382 63.100 -0.463 0.000 0.795 378 P CB 1.075 32.365 31.700 -0.684 0.000 1.101 379 D N -1.280 118.890 120.400 -0.382 0.000 2.194 379 D HA -0.007 4.633 4.640 -0.000 0.000 0.204 379 D C 0.801 177.007 176.300 -0.157 0.000 0.964 379 D CA 1.529 55.454 54.000 -0.124 0.000 0.846 379 D CB -0.019 40.709 40.800 -0.119 0.000 0.962 379 D HN 0.527 nan 8.370 nan 0.000 0.490 380 T N -2.312 112.006 114.554 -0.394 0.000 2.883 380 T HA 0.561 4.911 4.350 -0.000 0.000 0.301 380 T C -0.785 173.541 174.700 -0.624 0.000 1.158 380 T CA -0.918 60.956 62.100 -0.375 0.000 1.007 380 T CB 1.303 70.074 68.868 -0.161 0.000 1.186 380 T HN -0.224 nan 8.240 nan 0.000 0.499 381 F N 2.117 121.902 119.950 -0.274 0.000 2.391 381 F HA 0.459 4.986 4.527 -0.000 0.000 0.359 381 F C 0.454 176.193 175.800 -0.102 0.000 1.122 381 F CA -1.011 56.801 58.000 -0.312 0.000 1.120 381 F CB 0.906 39.336 39.000 -0.949 0.000 1.142 381 F HN 0.426 nan 8.300 nan 0.000 0.483 382 N N 5.426 124.154 118.700 0.047 0.000 2.485 382 N HA 0.421 5.161 4.740 -0.000 0.000 0.243 382 N C -0.820 174.624 175.510 -0.109 0.000 0.987 382 N CA -0.205 52.823 53.050 -0.037 0.000 0.940 382 N CB 1.407 39.849 38.487 -0.075 0.000 1.122 382 N HN 0.497 nan 8.380 nan 0.000 0.509 383 I N 1.267 121.729 120.570 -0.180 0.000 2.389 383 I HA 0.154 4.324 4.170 -0.000 0.000 0.288 383 I C 1.002 176.915 176.117 -0.340 0.000 0.999 383 I CA -0.325 60.714 61.300 -0.435 0.000 1.129 383 I CB 1.005 38.544 38.000 -0.768 0.000 1.288 383 I HN 0.478 nan 8.210 nan 0.000 0.444 384 E N 2.912 122.971 120.200 -0.236 0.000 3.213 384 E HA -0.302 4.048 4.350 -0.000 0.000 0.374 384 E C 0.060 176.624 176.600 -0.060 0.000 1.500 384 E CA 1.909 58.257 56.400 -0.086 0.000 1.497 384 E CB -0.455 29.267 29.700 0.036 0.000 1.692 384 E HN 0.735 nan 8.360 nan 0.000 0.494 385 D N 0.655 121.048 120.400 -0.012 0.000 2.350 385 D HA 0.028 4.667 4.640 -0.000 0.000 0.213 385 D C 0.100 176.354 176.300 -0.076 0.000 1.031 385 D CA 0.585 54.569 54.000 -0.028 0.000 0.861 385 D CB 0.158 40.960 40.800 0.003 0.000 0.926 385 D HN 0.082 nan 8.370 nan 0.000 0.520 386 Q N 0.574 120.305 119.800 -0.115 0.000 2.227 386 Q HA 0.350 4.690 4.340 -0.000 0.000 0.245 386 Q C -0.215 175.564 176.000 -0.367 0.000 0.926 386 Q CA 0.108 55.724 55.803 -0.313 0.000 0.895 386 Q CB 1.591 30.029 28.738 -0.500 0.000 1.230 386 Q HN 0.124 nan 8.270 nan 0.000 0.450 387 E N 1.992 121.933 120.200 -0.432 0.000 2.331 387 E HA 0.245 4.595 4.350 -0.000 0.000 0.243 387 E C -1.152 175.289 176.600 -0.265 0.000 0.925 387 E CA -0.259 55.980 56.400 -0.269 0.000 0.760 387 E CB 0.854 30.458 29.700 -0.160 0.000 1.254 387 E HN 0.388 nan 8.360 nan 0.000 0.419 388 Y N 1.017 121.354 120.300 0.063 0.000 2.299 388 Y HA 0.128 4.678 4.550 -0.001 0.000 0.326 388 Y C 1.251 177.250 175.900 0.165 0.000 1.164 388 Y CA -0.568 57.622 58.100 0.150 0.000 1.234 388 Y CB 1.040 39.658 38.460 0.264 0.000 1.219 388 Y HN 0.337 nan 8.280 nan 0.000 0.497 389 S N 1.455 117.355 115.700 0.333 0.000 2.624 389 S HA 0.178 4.648 4.470 -0.000 0.000 0.263 389 S C 0.804 175.671 174.600 0.446 0.000 1.287 389 S CA -0.564 57.833 58.200 0.329 0.000 0.990 389 S CB 0.382 63.742 63.200 0.267 0.000 0.950 389 S HN 0.569 nan 8.310 nan 0.000 0.561 390 F N 1.125 121.283 119.950 0.347 0.000 2.091 390 F HA -0.065 4.462 4.527 -0.001 0.000 0.299 390 F C 2.716 178.667 175.800 0.253 0.000 1.103 390 F CA 1.889 60.115 58.000 0.375 0.000 1.228 390 F CB -0.382 38.787 39.000 0.281 0.000 0.984 390 F HN 0.571 nan 8.300 nan 0.000 0.477 391 K N 0.632 121.274 120.400 0.404 0.000 2.074 391 K HA -0.231 4.089 4.320 -0.000 0.000 0.209 391 K C 1.888 178.638 176.600 0.250 0.000 1.048 391 K CA 1.974 58.429 56.287 0.280 0.000 0.926 391 K CB -0.435 32.202 32.500 0.228 0.000 0.713 391 K HN 0.465 nan 8.250 nan 0.000 0.444 392 Q N -1.601 118.369 119.800 0.284 0.000 2.245 392 Q HA -0.071 4.268 4.340 -0.000 0.000 0.201 392 Q C 1.952 178.083 176.000 0.218 0.000 0.955 392 Q CA 0.726 56.693 55.803 0.273 0.000 0.870 392 Q CB -0.090 28.875 28.738 0.379 0.000 0.945 392 Q HN 0.177 nan 8.270 nan 0.000 0.461 393 F N 1.452 121.418 119.950 0.025 0.000 2.187 393 F HA 0.075 4.602 4.527 -0.000 0.000 0.295 393 F C 0.845 176.501 175.800 -0.239 0.000 1.091 393 F CA 0.255 58.147 58.000 -0.180 0.000 1.308 393 F CB 0.170 38.943 39.000 -0.378 0.000 1.030 393 F HN -0.112 nan 8.300 nan 0.000 0.487 394 L N 1.274 122.380 121.223 -0.195 0.000 2.514 394 L HA -0.110 4.230 4.340 -0.000 0.000 0.280 394 L C 0.348 176.899 176.870 -0.532 0.000 1.223 394 L CA -0.027 54.467 54.840 -0.576 0.000 0.864 394 L CB -0.587 40.944 42.059 -0.880 0.000 1.118 394 L HN 0.479 nan 8.230 nan 0.000 0.494 395 Y N 0.556 120.818 120.300 -0.062 0.000 3.875 395 Y HA -0.287 4.263 4.550 -0.000 0.000 0.216 395 Y C 0.539 176.395 175.900 -0.072 0.000 1.148 395 Y CA 0.212 58.295 58.100 -0.028 0.000 1.629 395 Y CB -2.036 36.444 38.460 0.034 0.000 1.506 395 Y HN 0.645 nan 8.280 nan 0.000 0.629 396 N N 1.314 119.950 118.700 -0.106 0.000 2.898 396 N HA 0.203 4.943 4.740 -0.000 0.000 0.245 396 N C 0.334 175.713 175.510 -0.218 0.000 1.185 396 N CA -0.308 52.665 53.050 -0.129 0.000 0.879 396 N CB 0.162 38.574 38.487 -0.126 0.000 1.157 396 N HN 0.243 nan 8.380 nan 0.000 0.503 397 N N -0.057 118.520 118.700 -0.206 0.000 2.512 397 N HA -0.062 4.678 4.740 -0.000 0.000 0.183 397 N C 1.119 176.497 175.510 -0.220 0.000 1.073 397 N CA 0.442 53.346 53.050 -0.243 0.000 0.911 397 N CB 0.248 38.506 38.487 -0.383 0.000 0.964 397 N HN 0.402 nan 8.380 nan 0.000 0.447 398 S N 0.936 116.525 115.700 -0.185 0.000 2.399 398 S HA -0.035 4.435 4.470 -0.000 0.000 0.231 398 S C 2.024 176.576 174.600 -0.080 0.000 1.022 398 S CA 0.594 58.713 58.200 -0.134 0.000 0.983 398 S CB -0.188 62.958 63.200 -0.090 0.000 0.803 398 S HN 0.320 nan 8.310 nan 0.000 0.480 399 I N 0.922 121.450 120.570 -0.069 0.000 2.252 399 I HA -0.145 4.025 4.170 -0.000 0.000 0.245 399 I C 2.390 178.656 176.117 0.249 0.000 1.102 399 I CA 0.818 62.156 61.300 0.063 0.000 1.385 399 I CB -0.370 37.563 38.000 -0.111 0.000 1.064 399 I HN 0.240 nan 8.210 nan 0.000 0.414 400 L N 0.861 122.086 121.223 0.003 0.000 2.017 400 L HA -0.174 4.166 4.340 -0.000 0.000 0.208 400 L C 2.304 179.107 176.870 -0.112 0.000 1.073 400 L CA 1.850 56.511 54.840 -0.299 0.000 0.745 400 L CB -0.533 41.265 42.059 -0.434 0.000 0.894 400 L HN 0.127 nan 8.230 nan 0.000 0.432 401 L N -0.634 120.511 121.223 -0.130 0.000 2.083 401 L HA -0.210 4.130 4.340 -0.000 0.000 0.209 401 L C 2.550 179.395 176.870 -0.042 0.000 1.083 401 L CA 1.505 56.261 54.840 -0.140 0.000 0.752 401 L CB -0.593 41.350 42.059 -0.192 0.000 0.899 401 L HN 0.405 nan 8.230 nan 0.000 0.433 402 E N -0.036 120.136 120.200 -0.046 0.000 2.023 402 E HA -0.240 4.109 4.350 -0.000 0.000 0.196 402 E C 2.125 178.640 176.600 -0.142 0.000 1.003 402 E CA 1.732 58.053 56.400 -0.131 0.000 0.809 402 E CB -0.042 29.523 29.700 -0.225 0.000 0.755 402 E HN 0.478 nan 8.360 nan 0.000 0.449 403 H N -0.812 118.349 119.070 0.153 0.000 2.520 403 H HA 0.276 4.832 4.556 -0.000 0.000 0.279 403 H C 1.061 176.483 175.328 0.157 0.000 0.990 403 H CA 0.710 56.864 56.048 0.177 0.000 1.288 403 H CB 0.378 30.293 29.762 0.256 0.000 1.446 403 H HN 0.320 nan 8.280 nan 0.000 0.538 404 G N 1.158 110.103 108.800 0.242 0.000 2.758 404 G HA2 -0.224 3.735 3.960 -0.000 0.000 0.686 404 G HA3 -0.224 3.735 3.960 -0.000 0.000 0.686 404 G C 0.591 175.558 174.900 0.113 0.000 1.389 404 G CA -0.200 44.992 45.100 0.154 0.000 0.845 404 G HN 0.141 nan 8.290 nan 0.000 0.572 405 L N 0.843 122.069 121.223 0.005 0.000 2.012 405 L HA -0.116 4.224 4.340 -0.000 0.000 0.210 405 L C 3.245 180.134 176.870 0.031 0.000 1.073 405 L CA 3.109 57.919 54.840 -0.050 0.000 0.748 405 L CB -1.806 40.170 42.059 -0.138 0.000 0.891 405 L HN 0.878 nan 8.230 nan 0.000 0.431 406 T N -0.963 113.605 114.554 0.024 0.000 2.684 406 T HA -0.277 4.073 4.350 -0.000 0.000 0.267 406 T C 1.818 176.552 174.700 0.056 0.000 1.036 406 T CA 1.737 63.853 62.100 0.026 0.000 1.148 406 T CB -0.140 68.740 68.868 0.019 0.000 0.863 406 T HN 0.199 nan 8.240 nan 0.000 0.436 407 Q N 0.032 119.890 119.800 0.096 0.000 2.119 407 Q HA 0.004 4.344 4.340 -0.000 0.000 0.201 407 Q C 1.824 177.827 176.000 0.005 0.000 0.972 407 Q CA 1.363 57.211 55.803 0.075 0.000 0.847 407 Q CB -0.626 28.197 28.738 0.142 0.000 0.903 407 Q HN 0.484 nan 8.270 nan 0.000 0.433 408 F N -0.855 118.995 119.950 -0.166 0.000 2.095 408 F HA -0.208 4.318 4.527 -0.001 0.000 0.298 408 F C 2.192 177.848 175.800 -0.240 0.000 1.104 408 F CA 1.239 59.032 58.000 -0.345 0.000 1.232 408 F CB -0.661 38.202 39.000 -0.229 0.000 0.987 408 F HN -0.049 nan 8.300 nan 0.000 0.475 409 V N -0.244 119.724 119.914 0.090 0.000 2.295 409 V HA -0.287 3.832 4.120 -0.000 0.000 0.246 409 V C 2.183 178.318 176.094 0.069 0.000 1.049 409 V CA 2.109 64.459 62.300 0.083 0.000 1.024 409 V CB -0.619 31.218 31.823 0.023 0.000 0.648 409 V HN 0.308 nan 8.190 nan 0.000 0.447 410 E N 0.035 120.254 120.200 0.033 0.000 2.058 410 E HA -0.191 4.159 4.350 -0.000 0.000 0.194 410 E C 2.412 179.026 176.600 0.025 0.000 0.997 410 E CA 1.736 58.161 56.400 0.041 0.000 0.801 410 E CB -0.212 29.505 29.700 0.028 0.000 0.746 410 E HN 0.524 nan 8.360 nan 0.000 0.450 411 S N 0.249 115.906 115.700 -0.071 0.000 2.357 411 S HA -0.074 4.395 4.470 -0.000 0.000 0.221 411 S C 1.598 176.232 174.600 0.056 0.000 1.031 411 S CA 0.714 58.847 58.200 -0.111 0.000 0.982 411 S CB -0.177 62.813 63.200 -0.350 0.000 0.853 411 S HN 0.169 nan 8.310 nan 0.000 0.458 412 F N 2.304 122.270 119.950 0.026 0.000 2.365 412 F HA 0.011 4.537 4.527 -0.001 0.000 0.300 412 F C 2.588 178.460 175.800 0.120 0.000 1.090 412 F CA 0.463 58.523 58.000 0.101 0.000 1.408 412 F CB -1.576 37.538 39.000 0.190 0.000 1.060 412 F HN 0.150 nan 8.300 nan 0.000 0.534 413 T N -0.692 114.027 114.554 0.276 0.000 2.951 413 T HA -0.093 4.257 4.350 -0.000 0.000 0.268 413 T C 2.098 176.897 174.700 0.166 0.000 1.073 413 T CA 0.917 63.134 62.100 0.196 0.000 1.134 413 T CB -0.044 68.913 68.868 0.147 0.000 0.884 413 T HN 0.217 nan 8.240 nan 0.000 0.479 414 R N 0.558 121.144 120.500 0.144 0.000 2.210 414 R HA 0.174 4.513 4.340 -0.000 0.000 0.203 414 R C 1.265 177.619 176.300 0.091 0.000 1.010 414 R CA 0.118 56.278 56.100 0.100 0.000 1.008 414 R CB 0.188 30.527 30.300 0.064 0.000 0.923 414 R HN 0.380 nan 8.270 nan 0.000 0.469 415 Q N 1.753 121.627 119.800 0.124 0.000 2.294 415 Q HA 0.197 4.537 4.340 -0.000 0.000 0.257 415 Q C -0.702 175.347 176.000 0.082 0.000 0.955 415 Q CA -0.225 55.630 55.803 0.088 0.000 0.936 415 Q CB 0.960 29.765 28.738 0.112 0.000 1.188 415 Q HN 0.117 nan 8.270 nan 0.000 0.420 416 I N 3.236 123.847 120.570 0.068 0.000 2.638 416 I HA 0.337 4.507 4.170 -0.000 0.000 0.286 416 I C -0.394 175.817 176.117 0.156 0.000 1.088 416 I CA 0.087 61.450 61.300 0.105 0.000 1.397 416 I CB 0.895 38.971 38.000 0.127 0.000 1.414 416 I HN 0.822 nan 8.210 nan 0.000 0.566 417 A N 5.198 128.107 122.820 0.149 0.000 2.269 417 A HA 0.726 5.045 4.320 -0.000 0.000 0.319 417 A C 0.160 177.874 177.584 0.217 0.000 1.110 417 A CA -0.177 51.967 52.037 0.179 0.000 0.847 417 A CB 0.579 19.648 19.000 0.114 0.000 1.161 417 A HN 0.860 nan 8.150 nan 0.000 0.497 418 G N -0.209 108.729 108.800 0.230 0.000 2.503 418 G HA2 0.445 4.405 3.960 -0.000 0.000 0.257 418 G HA3 0.445 4.405 3.960 -0.000 0.000 0.257 418 G C 0.213 175.021 174.900 -0.153 0.000 1.214 418 G CA -0.525 44.528 45.100 -0.079 0.000 0.839 418 G HN 0.875 nan 8.290 nan 0.000 0.559 419 R N 0.939 121.279 120.500 -0.266 0.000 2.590 419 R HA 0.224 4.564 4.340 -0.000 0.000 0.274 419 R C 0.789 176.990 176.300 -0.166 0.000 1.061 419 R CA -0.465 55.491 56.100 -0.240 0.000 1.081 419 R CB 0.828 30.982 30.300 -0.244 0.000 0.984 419 R HN 0.266 nan 8.270 nan 0.000 0.448 420 V N 3.415 123.225 119.914 -0.174 0.000 2.403 420 V HA 0.105 4.224 4.120 -0.000 0.000 0.239 420 V C 0.997 177.068 176.094 -0.038 0.000 1.041 420 V CA 1.404 63.662 62.300 -0.071 0.000 1.051 420 V CB -0.363 31.420 31.823 -0.065 0.000 0.704 420 V HN 0.915 nan 8.190 nan 0.000 0.472 421 A N -0.499 122.304 122.820 -0.028 0.000 2.267 421 A HA 0.528 4.848 4.320 -0.000 0.000 0.271 421 A C 1.522 179.067 177.584 -0.065 0.000 1.131 421 A CA 0.595 52.614 52.037 -0.030 0.000 0.818 421 A CB -0.242 18.761 19.000 0.005 0.000 1.118 421 A HN 1.406 nan 8.150 nan 0.000 0.501 422 G N -2.097 106.666 108.800 -0.061 0.000 2.213 422 G HA2 0.362 4.322 3.960 -0.000 0.000 0.236 422 G HA3 0.362 4.322 3.960 -0.000 0.000 0.236 422 G C 1.600 176.462 174.900 -0.063 0.000 0.991 422 G CA 0.629 45.689 45.100 -0.067 0.000 0.629 422 G HN 3.079 nan 8.290 nan 0.000 0.517 423 G N -0.650 108.114 108.800 -0.060 0.000 2.690 423 G HA2 0.322 4.282 3.960 -0.000 0.000 0.686 423 G HA3 0.322 4.282 3.960 -0.000 0.000 0.686 423 G C 0.211 175.085 174.900 -0.043 0.000 1.277 423 G CA 0.269 45.340 45.100 -0.049 0.000 0.799 423 G HN 1.649 nan 8.290 nan 0.000 0.613 424 R N -0.749 119.734 120.500 -0.027 0.000 3.225 424 R HA -0.229 4.111 4.340 -0.000 0.000 0.245 424 R C 0.495 176.786 176.300 -0.015 0.000 0.928 424 R CA 1.075 57.165 56.100 -0.015 0.000 0.632 424 R CB -1.113 29.176 30.300 -0.018 0.000 1.038 424 R HN 0.673 nan 8.270 nan 0.000 0.461 425 N N -0.609 118.088 118.700 -0.004 0.000 2.232 425 N HA 0.086 4.826 4.740 -0.000 0.000 0.240 425 N C -0.897 174.653 175.510 0.067 0.000 1.307 425 N CA -0.040 53.013 53.050 0.005 0.000 0.859 425 N CB 1.157 39.611 38.487 -0.055 0.000 1.260 425 N HN 0.065 nan 8.380 nan 0.000 0.501 426 V N 2.964 122.925 119.914 0.077 0.000 2.427 426 V HA 0.323 4.443 4.120 -0.000 0.000 0.268 426 V C -1.991 174.157 176.094 0.090 0.000 1.046 426 V CA -1.355 61.015 62.300 0.117 0.000 0.970 426 V CB 0.859 32.755 31.823 0.121 0.000 1.001 426 V HN 0.121 nan 8.190 nan 0.000 0.476 427 P HA 0.133 nan 4.420 nan 0.000 0.265 427 P C 1.052 178.317 177.300 -0.058 0.000 1.193 427 P CA 0.194 63.315 63.100 0.035 0.000 0.765 427 P CB 0.626 32.356 31.700 0.049 0.000 0.823 428 I N 2.369 122.895 120.570 -0.073 0.000 2.361 428 I HA -0.287 3.883 4.170 -0.000 0.000 0.251 428 I C 2.175 178.199 176.117 -0.156 0.000 1.133 428 I CA 1.599 62.850 61.300 -0.081 0.000 1.413 428 I CB -0.503 37.467 38.000 -0.051 0.000 1.073 428 I HN 0.386 nan 8.210 nan 0.000 0.424 429 A N -0.422 122.208 122.820 -0.318 0.000 2.076 429 A HA -0.146 4.174 4.320 -0.000 0.000 0.220 429 A C 2.057 179.442 177.584 -0.332 0.000 1.160 429 A CA 1.588 53.347 52.037 -0.464 0.000 0.653 429 A CB -0.360 17.908 19.000 -1.220 0.000 0.801 429 A HN 0.317 nan 8.150 nan 0.000 0.455 430 V N 0.266 120.028 119.914 -0.253 0.000 3.078 430 V HA 0.019 4.139 4.120 -0.000 0.000 0.344 430 V C 1.765 177.801 176.094 -0.097 0.000 1.409 430 V CA 0.600 62.809 62.300 -0.153 0.000 1.146 430 V CB -0.050 31.697 31.823 -0.126 0.000 1.126 430 V HN 0.870 nan 8.190 nan 0.000 0.513 431 Q N 0.545 120.303 119.800 -0.070 0.000 2.170 431 Q HA -0.130 4.210 4.340 -0.000 0.000 0.203 431 Q C 1.936 177.923 176.000 -0.021 0.000 0.976 431 Q CA 2.049 57.836 55.803 -0.026 0.000 0.858 431 Q CB -0.386 28.340 28.738 -0.020 0.000 0.907 431 Q HN 0.552 nan 8.270 nan 0.000 0.433 432 A N 1.062 123.861 122.820 -0.035 0.000 1.969 432 A HA -0.068 4.252 4.320 -0.000 0.000 0.218 432 A C 2.308 179.869 177.584 -0.038 0.000 1.169 432 A CA 1.341 53.360 52.037 -0.029 0.000 0.635 432 A CB -0.586 18.399 19.000 -0.024 0.000 0.810 432 A HN 0.260 nan 8.150 nan 0.000 0.445 433 V N -0.185 119.692 119.914 -0.062 0.000 2.358 433 V HA -0.218 3.902 4.120 -0.000 0.000 0.246 433 V C 3.031 179.100 176.094 -0.041 0.000 1.047 433 V CA 1.843 64.098 62.300 -0.074 0.000 1.035 433 V CB -1.255 30.439 31.823 -0.215 0.000 0.658 433 V HN 0.592 nan 8.190 nan 0.000 0.452 434 A N -0.311 122.512 122.820 0.004 0.000 1.902 434 A HA -0.249 4.070 4.320 -0.000 0.000 0.217 434 A C 2.361 179.973 177.584 0.047 0.000 1.181 434 A CA 2.121 54.225 52.037 0.111 0.000 0.623 434 A CB -0.472 18.640 19.000 0.186 0.000 0.818 434 A HN 0.498 nan 8.150 nan 0.000 0.443 435 K N -0.385 120.025 120.400 0.016 0.000 2.057 435 K HA -0.067 4.253 4.320 -0.000 0.000 0.206 435 K C 2.141 178.706 176.600 -0.058 0.000 1.050 435 K CA 1.093 57.380 56.287 0.000 0.000 0.935 435 K CB -0.287 32.211 32.500 -0.002 0.000 0.715 435 K HN 0.382 nan 8.250 nan 0.000 0.439 436 A N 0.499 123.270 122.820 -0.081 0.000 1.972 436 A HA -0.116 4.204 4.320 -0.000 0.000 0.219 436 A C 2.101 179.553 177.584 -0.221 0.000 1.169 436 A CA 1.879 53.849 52.037 -0.112 0.000 0.635 436 A CB -0.444 18.509 19.000 -0.077 0.000 0.810 436 A HN 0.320 nan 8.150 nan 0.000 0.446 437 S N -0.099 115.387 115.700 -0.357 0.000 2.382 437 S HA -0.102 4.367 4.470 -0.000 0.000 0.228 437 S C 1.786 176.014 174.600 -0.620 0.000 1.027 437 S CA 1.454 59.218 58.200 -0.728 0.000 0.991 437 S CB -0.452 61.911 63.200 -1.394 0.000 0.823 437 S HN 0.573 nan 8.310 nan 0.000 0.469 438 I N 1.699 122.062 120.570 -0.345 0.000 2.163 438 I HA -0.175 3.995 4.170 -0.000 0.000 0.240 438 I C 2.016 178.059 176.117 -0.123 0.000 1.081 438 I CA 1.185 62.420 61.300 -0.107 0.000 1.353 438 I CB -0.438 37.599 38.000 0.063 0.000 1.054 438 I HN 0.161 nan 8.210 nan 0.000 0.407 439 D N 0.502 120.835 120.400 -0.111 0.000 2.144 439 D HA -0.179 4.461 4.640 -0.000 0.000 0.200 439 D C 2.241 178.475 176.300 -0.110 0.000 0.978 439 D CA 1.229 55.180 54.000 -0.080 0.000 0.833 439 D CB -0.216 40.550 40.800 -0.057 0.000 0.961 439 D HN 0.434 nan 8.370 nan 0.000 0.470 440 Q N 0.091 119.791 119.800 -0.166 0.000 2.187 440 Q HA 0.001 4.341 4.340 -0.000 0.000 0.199 440 Q C 2.250 178.086 176.000 -0.274 0.000 0.957 440 Q CA 0.602 56.302 55.803 -0.172 0.000 0.857 440 Q CB 0.150 28.789 28.738 -0.166 0.000 0.929 440 Q HN 0.057 nan 8.270 nan 0.000 0.453 441 S N 0.677 116.125 115.700 -0.420 0.000 2.370 441 S HA -0.162 4.308 4.470 -0.000 0.000 0.226 441 S C 1.775 176.167 174.600 -0.347 0.000 1.033 441 S CA 1.211 58.991 58.200 -0.700 0.000 1.011 441 S CB -0.093 62.720 63.200 -0.645 0.000 0.852 441 S HN 0.328 nan 8.310 nan 0.000 0.457 442 R N 0.881 121.290 120.500 -0.151 0.000 2.075 442 R HA -0.001 4.339 4.340 -0.000 0.000 0.232 442 R C 2.431 178.731 176.300 0.001 0.000 1.126 442 R CA 1.093 57.180 56.100 -0.023 0.000 0.963 442 R CB -0.256 30.044 30.300 0.000 0.000 0.858 442 R HN 0.469 nan 8.270 nan 0.000 0.435 443 E N 0.786 120.969 120.200 -0.028 0.000 2.118 443 E HA -0.175 4.175 4.350 -0.000 0.000 0.195 443 E C 1.496 178.122 176.600 0.043 0.000 0.992 443 E CA 1.147 57.553 56.400 0.010 0.000 0.804 443 E CB 0.102 29.801 29.700 -0.002 0.000 0.741 443 E HN 0.294 nan 8.360 nan 0.000 0.458 444 M N 0.260 119.877 119.600 0.028 0.000 2.563 444 M HA 0.027 4.507 4.480 -0.000 0.000 0.231 444 M C -0.358 176.070 176.300 0.212 0.000 1.136 444 M CA 0.203 55.572 55.300 0.115 0.000 1.026 444 M CB 0.568 33.247 32.600 0.131 0.000 1.597 444 M HN -0.175 nan 8.290 nan 0.000 0.495 445 K N -0.181 120.319 120.400 0.168 0.000 3.150 445 K HA -0.192 4.128 4.320 -0.000 0.000 0.267 445 K C -1.274 175.491 176.600 0.274 0.000 1.028 445 K CA 0.669 57.061 56.287 0.175 0.000 0.753 445 K CB -2.637 29.932 32.500 0.115 0.000 1.288 445 K HN 0.296 nan 8.250 nan 0.000 0.473 446 Y N 1.294 121.647 120.300 0.088 0.000 2.610 446 Y HA -0.004 4.545 4.550 -0.000 0.000 0.332 446 Y C 1.848 177.854 175.900 0.176 0.000 1.201 446 Y CA -0.006 58.194 58.100 0.167 0.000 1.465 446 Y CB 0.486 39.038 38.460 0.153 0.000 1.283 446 Y HN 0.175 nan 8.280 nan 0.000 0.563 447 Q N 1.116 121.075 119.800 0.266 0.000 2.584 447 Q HA 0.204 4.544 4.340 -0.000 0.000 0.218 447 Q C 0.381 176.550 176.000 0.282 0.000 1.079 447 Q CA -0.247 55.639 55.803 0.138 0.000 1.008 447 Q CB 0.420 29.080 28.738 -0.130 0.000 1.267 447 Q HN 0.796 nan 8.270 nan 0.000 0.586 448 S N -0.261 115.537 115.700 0.164 0.000 2.608 448 S HA 0.028 4.498 4.470 -0.000 0.000 0.261 448 S C 0.932 175.688 174.600 0.259 0.000 1.314 448 S CA -0.603 57.707 58.200 0.183 0.000 0.992 448 S CB 0.478 63.733 63.200 0.091 0.000 0.935 448 S HN 0.647 nan 8.310 nan 0.000 0.564 449 L N 1.132 122.467 121.223 0.187 0.000 2.013 449 L HA -0.127 4.213 4.340 -0.000 0.000 0.212 449 L C 1.944 178.908 176.870 0.157 0.000 1.073 449 L CA 2.071 57.019 54.840 0.181 0.000 0.753 449 L CB -1.243 40.874 42.059 0.097 0.000 0.890 449 L HN 0.719 nan 8.230 nan 0.000 0.432 450 N N -0.404 118.343 118.700 0.079 0.000 2.270 450 N HA -0.132 4.608 4.740 -0.000 0.000 0.181 450 N C 1.743 177.253 175.510 0.001 0.000 1.016 450 N CA 1.041 54.103 53.050 0.020 0.000 0.870 450 N CB -0.192 38.286 38.487 -0.015 0.000 0.979 450 N HN 0.443 nan 8.380 nan 0.000 0.431 451 E N 0.112 120.306 120.200 -0.009 0.000 2.051 451 E HA -0.142 4.208 4.350 -0.000 0.000 0.192 451 E C 1.770 178.301 176.600 -0.116 0.000 0.991 451 E CA 0.925 57.263 56.400 -0.103 0.000 0.799 451 E CB -0.477 29.116 29.700 -0.179 0.000 0.748 451 E HN 0.482 nan 8.360 nan 0.000 0.449 452 Y N 1.003 121.329 120.300 0.044 0.000 2.224 452 Y HA -0.115 4.435 4.550 -0.000 0.000 0.289 452 Y C 2.591 178.578 175.900 0.147 0.000 1.146 452 Y CA 1.235 59.406 58.100 0.119 0.000 1.182 452 Y CB -0.138 38.386 38.460 0.107 0.000 0.983 452 Y HN -0.022 nan 8.280 nan 0.000 0.524 453 R N 0.120 120.728 120.500 0.180 0.000 2.073 453 R HA -0.183 4.157 4.340 -0.000 0.000 0.234 453 R C 2.127 178.457 176.300 0.050 0.000 1.134 453 R CA 1.763 57.910 56.100 0.078 0.000 0.952 453 R CB -0.226 30.041 30.300 -0.054 0.000 0.850 453 R HN 0.265 nan 8.270 nan 0.000 0.433 454 K N -0.046 120.351 120.400 -0.005 0.000 2.057 454 K HA -0.181 4.138 4.320 -0.000 0.000 0.207 454 K C 2.057 178.622 176.600 -0.058 0.000 1.049 454 K CA 1.361 57.618 56.287 -0.050 0.000 0.931 454 K CB -0.114 32.333 32.500 -0.089 0.000 0.714 454 K HN -0.081 nan 8.250 nan 0.000 0.440 455 R N 0.449 120.918 120.500 -0.052 0.000 2.159 455 R HA -0.091 4.248 4.340 -0.000 0.000 0.237 455 R C 0.574 176.668 176.300 -0.343 0.000 1.131 455 R CA 1.503 57.496 56.100 -0.177 0.000 0.982 455 R CB -0.230 29.978 30.300 -0.153 0.000 0.868 455 R HN 0.125 nan 8.270 nan 0.000 0.453 456 F N 0.288 120.193 119.950 -0.075 0.000 2.772 456 F HA 0.321 4.848 4.527 -0.000 0.000 0.302 456 F C 0.305 176.057 175.800 -0.080 0.000 1.136 456 F CA -0.133 57.804 58.000 -0.105 0.000 1.322 456 F CB 0.446 39.381 39.000 -0.107 0.000 0.967 456 F HN -0.092 nan 8.300 nan 0.000 0.513 457 S N 0.803 116.516 115.700 0.022 0.000 3.635 457 S HA -0.189 4.281 4.470 -0.000 0.000 0.328 457 S C -0.126 174.490 174.600 0.027 0.000 1.135 457 S CA 0.319 58.535 58.200 0.027 0.000 0.942 457 S CB -2.024 61.216 63.200 0.067 0.000 0.930 457 S HN 0.312 nan 8.310 nan 0.000 0.512 458 L N 0.103 121.331 121.223 0.008 0.000 2.330 458 L HA 0.538 4.878 4.340 -0.000 0.000 0.271 458 L C 0.474 177.290 176.870 -0.090 0.000 1.013 458 L CA -0.882 53.933 54.840 -0.041 0.000 0.816 458 L CB 1.103 43.125 42.059 -0.062 0.000 1.287 458 L HN -0.023 nan 8.230 nan 0.000 0.435 459 K N 2.002 122.325 120.400 -0.129 0.000 2.339 459 K HA 0.270 4.590 4.320 -0.000 0.000 0.286 459 K C -2.319 174.141 176.600 -0.233 0.000 1.050 459 K CA -1.558 54.644 56.287 -0.141 0.000 0.956 459 K CB 0.880 33.312 32.500 -0.112 0.000 0.990 459 K HN 0.201 nan 8.250 nan 0.000 0.475 460 P HA -0.098 nan 4.420 nan 0.000 0.266 460 P C -1.005 176.196 177.300 -0.165 0.000 1.195 460 P CA 0.380 63.383 63.100 -0.163 0.000 0.768 460 P CB 0.225 31.873 31.700 -0.086 0.000 0.838 461 Y N 0.597 120.853 120.300 -0.073 0.000 2.425 461 Y HA 0.068 4.618 4.550 -0.000 0.000 0.331 461 Y C 2.091 177.918 175.900 -0.122 0.000 1.157 461 Y CA 0.309 58.351 58.100 -0.097 0.000 1.372 461 Y CB 0.460 38.842 38.460 -0.130 0.000 1.253 461 Y HN 0.399 nan 8.280 nan 0.000 0.536 462 T N -2.537 112.069 114.554 0.087 0.000 3.040 462 T HA 0.213 4.562 4.350 -0.000 0.000 0.250 462 T C 0.120 174.799 174.700 -0.034 0.000 1.058 462 T CA 0.289 62.393 62.100 0.006 0.000 0.988 462 T CB -0.044 68.835 68.868 0.018 0.000 0.993 462 T HN 0.511 nan 8.240 nan 0.000 0.519 463 S N -0.931 114.730 115.700 -0.065 0.000 2.587 463 S HA 0.567 5.037 4.470 -0.000 0.000 0.269 463 S C -0.230 174.253 174.600 -0.195 0.000 1.154 463 S CA -0.927 57.211 58.200 -0.103 0.000 0.824 463 S CB 0.200 63.406 63.200 0.010 0.000 1.118 463 S HN -0.067 nan 8.310 nan 0.000 0.462 464 F N 1.077 120.996 119.950 -0.052 0.000 2.293 464 F HA 0.109 4.635 4.527 -0.000 0.000 0.300 464 F C 2.511 178.236 175.800 -0.125 0.000 1.086 464 F CA 1.309 59.250 58.000 -0.099 0.000 1.375 464 F CB -0.216 38.751 39.000 -0.056 0.000 1.045 464 F HN 0.691 nan 8.300 nan 0.000 0.516 465 E N 0.002 120.252 120.200 0.084 0.000 2.150 465 E HA -0.222 4.127 4.350 -0.000 0.000 0.193 465 E C 2.066 178.634 176.600 -0.053 0.000 0.985 465 E CA 0.933 57.343 56.400 0.016 0.000 0.814 465 E CB -0.190 29.529 29.700 0.031 0.000 0.752 465 E HN 0.501 nan 8.360 nan 0.000 0.466 466 E N 0.770 120.924 120.200 -0.077 0.000 2.110 466 E HA -0.205 4.145 4.350 -0.000 0.000 0.193 466 E C 2.163 178.552 176.600 -0.352 0.000 0.988 466 E CA 0.571 56.913 56.400 -0.098 0.000 0.804 466 E CB 0.067 29.782 29.700 0.026 0.000 0.745 466 E HN 0.099 nan 8.360 nan 0.000 0.458 467 L N 0.731 121.589 121.223 -0.608 0.000 1.994 467 L HA -0.145 4.195 4.340 -0.000 0.000 0.208 467 L C 2.510 179.123 176.870 -0.429 0.000 1.071 467 L CA 2.709 56.977 54.840 -0.954 0.000 0.745 467 L CB -0.920 40.719 42.059 -0.700 0.000 0.892 467 L HN 0.273 nan 8.230 nan 0.000 0.431 468 T N -4.074 110.349 114.554 -0.218 0.000 3.035 468 T HA 0.249 4.599 4.350 -0.000 0.000 0.259 468 T C 1.587 176.238 174.700 -0.082 0.000 1.078 468 T CA 0.515 62.545 62.100 -0.116 0.000 1.132 468 T CB -0.378 68.454 68.868 -0.059 0.000 0.900 468 T HN 0.756 nan 8.240 nan 0.000 0.480 469 G N 1.774 110.529 108.800 -0.076 0.000 2.148 469 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.254 469 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.254 469 G C -0.138 174.747 174.900 -0.026 0.000 0.981 469 G CA 0.690 45.766 45.100 -0.039 0.000 0.670 469 G HN 1.012 nan 8.290 nan 0.000 0.528 470 E N -2.161 118.023 120.200 -0.026 0.000 2.415 470 E HA 0.817 5.167 4.350 -0.000 0.000 0.255 470 E C 0.802 177.397 176.600 -0.009 0.000 0.936 470 E CA -0.813 55.577 56.400 -0.017 0.000 0.876 470 E CB 0.255 29.942 29.700 -0.022 0.000 1.696 470 E HN -0.020 nan 8.360 nan 0.000 0.435 471 K N -0.517 119.878 120.400 -0.008 0.000 2.403 471 K HA 0.134 4.454 4.320 -0.000 0.000 0.199 471 K C 1.620 178.215 176.600 -0.010 0.000 1.199 471 K CA 0.460 56.745 56.287 -0.004 0.000 0.924 471 K CB 0.466 32.964 32.500 -0.003 0.000 1.137 471 K HN 0.607 nan 8.250 nan 0.000 0.510 472 E N 1.617 121.809 120.200 -0.015 0.000 2.028 472 E HA -0.056 4.293 4.350 -0.000 0.000 0.190 472 E C 2.030 178.615 176.600 -0.026 0.000 0.984 472 E CA 0.896 57.284 56.400 -0.020 0.000 0.800 472 E CB 0.122 29.811 29.700 -0.019 0.000 0.758 472 E HN 0.105 nan 8.360 nan 0.000 0.448 473 M N 0.395 119.981 119.600 -0.024 0.000 2.175 473 M HA -0.105 4.375 4.480 -0.000 0.000 0.264 473 M C 2.448 178.728 176.300 -0.033 0.000 1.063 473 M CA 1.279 56.563 55.300 -0.026 0.000 1.119 473 M CB -0.164 32.423 32.600 -0.022 0.000 1.377 473 M HN 0.220 nan 8.290 nan 0.000 0.415 474 A N 0.653 123.463 122.820 -0.016 0.000 1.908 474 A HA -0.135 4.185 4.320 -0.000 0.000 0.218 474 A C 2.371 179.909 177.584 -0.076 0.000 1.181 474 A CA 2.148 54.191 52.037 0.010 0.000 0.627 474 A CB -0.945 18.085 19.000 0.050 0.000 0.818 474 A HN 0.508 nan 8.150 nan 0.000 0.445 475 A N -0.753 122.030 122.820 -0.062 0.000 1.930 475 A HA -0.102 4.218 4.320 -0.000 0.000 0.217 475 A C 1.955 179.465 177.584 -0.124 0.000 1.175 475 A CA 1.558 53.545 52.037 -0.082 0.000 0.627 475 A CB -0.382 18.591 19.000 -0.044 0.000 0.815 475 A HN 0.473 nan 8.150 nan 0.000 0.443 476 E N 0.192 120.331 120.200 -0.101 0.000 2.051 476 E HA -0.154 4.196 4.350 -0.000 0.000 0.192 476 E C 2.058 178.570 176.600 -0.147 0.000 0.991 476 E CA 1.052 57.394 56.400 -0.097 0.000 0.799 476 E CB -0.468 29.198 29.700 -0.057 0.000 0.748 476 E HN 0.668 nan 8.360 nan 0.000 0.449 477 L N 0.759 121.863 121.223 -0.198 0.000 2.083 477 L HA -0.183 4.156 4.340 -0.000 0.000 0.209 477 L C 2.654 179.099 176.870 -0.707 0.000 1.083 477 L CA 1.350 56.024 54.840 -0.276 0.000 0.752 477 L CB -0.349 41.565 42.059 -0.242 0.000 0.899 477 L HN 0.082 nan 8.230 nan 0.000 0.433 478 K N 0.573 120.411 120.400 -0.937 0.000 2.097 478 K HA -0.144 4.176 4.320 -0.000 0.000 0.205 478 K C 2.077 178.482 176.600 -0.324 0.000 1.050 478 K CA 1.328 57.083 56.287 -0.886 0.000 0.938 478 K CB -0.125 32.132 32.500 -0.404 0.000 0.718 478 K HN 0.209 nan 8.250 nan 0.000 0.442 479 A N 0.909 123.598 122.820 -0.219 0.000 1.969 479 A HA -0.051 4.268 4.320 -0.000 0.000 0.218 479 A C 2.067 179.580 177.584 -0.119 0.000 1.169 479 A CA 1.211 53.175 52.037 -0.122 0.000 0.635 479 A CB -0.467 18.476 19.000 -0.095 0.000 0.810 479 A HN 0.341 nan 8.150 nan 0.000 0.445 480 L N -2.924 118.208 121.223 -0.153 0.000 2.095 480 L HA -0.064 4.276 4.340 -0.000 0.000 0.204 480 L C 2.288 179.009 176.870 -0.248 0.000 1.080 480 L CA 1.166 55.881 54.840 -0.207 0.000 0.759 480 L CB -0.288 41.623 42.059 -0.247 0.000 0.914 480 L HN 0.478 nan 8.230 nan 0.000 0.439 481 Y N -1.637 118.610 120.300 -0.089 0.000 2.507 481 Y HA 0.034 4.583 4.550 -0.000 0.000 0.263 481 Y C 1.975 177.945 175.900 0.116 0.000 1.093 481 Y CA 0.485 58.621 58.100 0.060 0.000 1.285 481 Y CB 0.608 39.203 38.460 0.224 0.000 1.115 481 Y HN 0.080 nan 8.280 nan 0.000 0.533 482 S N -0.972 114.846 115.700 0.196 0.000 1.703 482 S HA -0.274 4.196 4.470 -0.000 0.000 0.232 482 S C -0.062 174.734 174.600 0.327 0.000 0.865 482 S CA 1.762 60.074 58.200 0.187 0.000 1.462 482 S CB -1.177 62.096 63.200 0.121 0.000 1.879 482 S HN 0.519 nan 8.310 nan 0.000 0.532 483 D N 0.131 120.759 120.400 0.379 0.000 2.502 483 D HA 0.594 5.234 4.640 -0.000 0.000 0.249 483 D C 0.564 176.980 176.300 0.192 0.000 1.092 483 D CA -0.575 53.584 54.000 0.264 0.000 0.839 483 D CB 1.335 42.228 40.800 0.155 0.000 1.264 483 D HN 0.074 nan 8.370 nan 0.000 0.511 484 I N 2.776 123.254 120.570 -0.153 0.000 2.361 484 I HA -0.156 4.013 4.170 -0.000 0.000 0.251 484 I C 1.072 177.041 176.117 -0.247 0.000 1.133 484 I CA 1.413 62.340 61.300 -0.621 0.000 1.413 484 I CB -0.018 37.602 38.000 -0.634 0.000 1.073 484 I HN 0.363 nan 8.210 nan 0.000 0.424 485 D N -0.389 119.957 120.400 -0.090 0.000 2.378 485 D HA -0.004 4.636 4.640 -0.000 0.000 0.227 485 D C 1.925 178.235 176.300 0.017 0.000 1.012 485 D CA 0.625 54.606 54.000 -0.032 0.000 0.905 485 D CB 0.274 41.066 40.800 -0.013 0.000 0.895 485 D HN 0.286 nan 8.370 nan 0.000 0.532 486 V N 0.349 120.298 119.914 0.058 0.000 3.643 486 V HA 0.104 4.223 4.120 -0.000 0.000 0.280 486 V C 0.715 176.886 176.094 0.129 0.000 1.351 486 V CA -0.193 62.192 62.300 0.142 0.000 1.073 486 V CB 0.050 32.012 31.823 0.231 0.000 0.863 486 V HN 0.086 nan 8.190 nan 0.000 0.436 487 M N 1.404 120.968 119.600 -0.060 0.000 2.252 487 M HA 0.157 4.637 4.480 -0.000 0.000 0.333 487 M C 0.166 176.387 176.300 -0.132 0.000 1.111 487 M CA 0.594 55.682 55.300 -0.353 0.000 1.140 487 M CB -0.013 32.397 32.600 -0.317 0.000 1.538 487 M HN 0.264 nan 8.290 nan 0.000 0.448 488 E N 3.036 123.150 120.200 -0.143 0.000 2.242 488 E HA 0.167 4.517 4.350 -0.000 0.000 0.275 488 E C 0.444 177.084 176.600 0.066 0.000 1.002 488 E CA -0.646 55.796 56.400 0.069 0.000 0.841 488 E CB 1.269 31.070 29.700 0.169 0.000 1.109 488 E HN 0.766 nan 8.360 nan 0.000 0.394 489 L N 3.202 124.506 121.223 0.134 0.000 1.970 489 L HA -0.241 4.099 4.340 -0.000 0.000 0.212 489 L C 2.080 178.995 176.870 0.074 0.000 1.071 489 L CA 1.958 56.855 54.840 0.095 0.000 0.751 489 L CB -0.687 41.404 42.059 0.053 0.000 0.889 489 L HN 0.732 nan 8.230 nan 0.000 0.432 490 Y N 1.005 121.302 120.300 -0.005 0.000 2.114 490 Y HA -0.111 4.439 4.550 -0.000 0.000 0.284 490 Y C -0.604 175.300 175.900 0.006 0.000 1.143 490 Y CA 1.856 59.941 58.100 -0.025 0.000 1.135 490 Y CB -1.897 36.512 38.460 -0.086 0.000 0.980 490 Y HN 0.257 nan 8.280 nan 0.000 0.499 491 P HA -0.138 nan 4.420 nan 0.000 0.217 491 P C 1.429 178.618 177.300 -0.184 0.000 1.150 491 P CA 2.372 65.331 63.100 -0.235 0.000 0.832 491 P CB -0.369 31.343 31.700 0.020 0.000 0.787 492 A N -0.454 122.299 122.820 -0.112 0.000 1.933 492 A HA -0.147 4.172 4.320 -0.000 0.000 0.218 492 A C 2.220 179.751 177.584 -0.087 0.000 1.175 492 A CA 1.317 53.306 52.037 -0.081 0.000 0.628 492 A CB -1.641 17.339 19.000 -0.033 0.000 0.814 492 A HN 0.125 nan 8.150 nan 0.000 0.444 493 L N -0.719 120.437 121.223 -0.112 0.000 2.083 493 L HA -0.123 4.217 4.340 -0.000 0.000 0.209 493 L C 2.148 178.953 176.870 -0.109 0.000 1.083 493 L CA 0.920 55.704 54.840 -0.093 0.000 0.752 493 L CB -0.345 41.667 42.059 -0.078 0.000 0.899 493 L HN 0.356 nan 8.230 nan 0.000 0.433 494 L N -1.526 119.590 121.223 -0.179 0.000 2.558 494 L HA -0.009 4.330 4.340 -0.000 0.000 0.225 494 L C 1.744 178.555 176.870 -0.098 0.000 1.128 494 L CA 0.077 54.834 54.840 -0.138 0.000 0.868 494 L CB 0.288 42.224 42.059 -0.205 0.000 1.006 494 L HN 0.071 nan 8.230 nan 0.000 0.454 495 V N -0.991 118.865 119.914 -0.097 0.000 3.645 495 V HA 0.053 4.173 4.120 -0.000 0.000 0.275 495 V C 1.046 177.096 176.094 -0.074 0.000 1.356 495 V CA -0.041 62.214 62.300 -0.074 0.000 1.051 495 V CB 0.654 32.440 31.823 -0.063 0.000 0.828 495 V HN 0.306 nan 8.190 nan 0.000 0.441 496 E N 1.867 122.023 120.200 -0.073 0.000 2.415 496 E HA -0.019 4.331 4.350 -0.000 0.000 0.262 496 E C 0.379 176.945 176.600 -0.056 0.000 1.038 496 E CA -0.216 56.140 56.400 -0.073 0.000 0.921 496 E CB 0.448 30.134 29.700 -0.023 0.000 0.950 496 E HN 0.280 nan 8.360 nan 0.000 0.438 497 K N 5.203 125.564 120.400 -0.064 0.000 2.453 497 K HA 0.077 4.397 4.320 -0.000 0.000 0.280 497 K C -2.281 174.315 176.600 -0.006 0.000 1.045 497 K CA -1.241 55.025 56.287 -0.035 0.000 1.059 497 K CB 0.335 32.818 32.500 -0.029 0.000 0.901 497 K HN 0.242 nan 8.250 nan 0.000 0.475 498 P HA 0.109 nan 4.420 nan 0.000 0.272 498 P C -0.699 176.610 177.300 0.015 0.000 1.223 498 P CA -0.394 62.697 63.100 -0.014 0.000 0.784 498 P CB 0.557 32.225 31.700 -0.054 0.000 0.923 499 R N 2.608 123.127 120.500 0.032 0.000 2.811 499 R HA 0.135 4.475 4.340 -0.000 0.000 0.265 499 R C -1.958 174.382 176.300 0.067 0.000 1.026 499 R CA -1.098 55.062 56.100 0.100 0.000 1.142 499 R CB -1.519 28.902 30.300 0.202 0.000 1.027 499 R HN 0.391 nan 8.270 nan 0.000 0.465 500 P HA -0.046 nan 4.420 nan 0.000 0.262 500 P C -0.882 176.417 177.300 -0.003 0.000 1.199 500 P CA 0.619 63.748 63.100 0.047 0.000 0.763 500 P CB 0.308 32.058 31.700 0.084 0.000 0.790 501 D N -0.060 120.318 120.400 -0.038 0.000 2.911 501 D HA -0.204 4.435 4.640 -0.000 0.000 0.227 501 D C 0.227 176.455 176.300 -0.120 0.000 1.164 501 D CA 1.458 55.411 54.000 -0.079 0.000 0.782 501 D CB -1.134 39.621 40.800 -0.076 0.000 1.094 501 D HN 0.481 nan 8.370 nan 0.000 0.425 502 A N -0.154 122.596 122.820 -0.117 0.000 2.299 502 A HA 0.695 5.015 4.320 -0.000 0.000 0.332 502 A C 1.243 178.661 177.584 -0.276 0.000 1.131 502 A CA -0.476 51.449 52.037 -0.187 0.000 0.844 502 A CB 1.194 20.137 19.000 -0.095 0.000 1.251 502 A HN 0.127 nan 8.150 nan 0.000 0.486 503 I N -0.911 119.373 120.570 -0.477 0.000 2.617 503 I HA 0.132 4.302 4.170 -0.000 0.000 0.256 503 I C -0.678 175.097 176.117 -0.570 0.000 1.167 503 I CA 0.717 61.622 61.300 -0.659 0.000 1.469 503 I CB -0.066 37.290 38.000 -1.073 0.000 1.098 503 I HN 0.471 nan 8.210 nan 0.000 0.436 504 F N -0.368 119.420 119.950 -0.270 0.000 2.593 504 F HA 0.624 5.151 4.527 -0.001 0.000 0.320 504 F C 0.765 176.466 175.800 -0.165 0.000 1.060 504 F CA -1.289 56.564 58.000 -0.245 0.000 0.940 504 F CB 0.639 39.474 39.000 -0.276 0.000 1.268 504 F HN -0.252 nan 8.300 nan 0.000 0.475 505 G N -0.352 108.505 108.800 0.095 0.000 2.535 505 G HA2 0.261 4.221 3.960 -0.000 0.000 0.303 505 G HA3 0.261 4.221 3.960 -0.000 0.000 0.303 505 G C 0.643 175.551 174.900 0.013 0.000 1.237 505 G CA -0.340 44.783 45.100 0.039 0.000 0.986 505 G HN 0.750 nan 8.290 nan 0.000 0.494 506 E N -1.037 119.175 120.200 0.020 0.000 2.097 506 E HA -0.188 4.161 4.350 -0.000 0.000 0.196 506 E C 2.245 178.828 176.600 -0.028 0.000 1.000 506 E CA 1.915 58.309 56.400 -0.009 0.000 0.804 506 E CB -0.152 29.564 29.700 0.028 0.000 0.740 506 E HN 0.457 nan 8.360 nan 0.000 0.454 507 T N 0.731 115.283 114.554 -0.004 0.000 2.821 507 T HA -0.161 4.189 4.350 -0.000 0.000 0.267 507 T C 1.688 176.331 174.700 -0.095 0.000 1.046 507 T CA 1.364 63.442 62.100 -0.036 0.000 1.139 507 T CB -0.214 68.667 68.868 0.021 0.000 0.871 507 T HN 0.165 nan 8.240 nan 0.000 0.454 508 M N 1.288 120.822 119.600 -0.111 0.000 2.080 508 M HA -0.063 4.417 4.480 -0.000 0.000 0.260 508 M C 2.074 178.266 176.300 -0.179 0.000 1.068 508 M CA 1.518 56.696 55.300 -0.203 0.000 1.109 508 M CB -0.566 31.769 32.600 -0.440 0.000 1.342 508 M HN 0.062 nan 8.290 nan 0.000 0.405 509 V N -0.068 119.767 119.914 -0.130 0.000 2.379 509 V HA -0.165 3.955 4.120 -0.000 0.000 0.245 509 V C 2.319 178.377 176.094 -0.060 0.000 1.044 509 V CA 1.614 63.879 62.300 -0.059 0.000 1.036 509 V CB -0.868 30.929 31.823 -0.043 0.000 0.664 509 V HN 0.402 nan 8.190 nan 0.000 0.453 510 E N 0.109 120.254 120.200 -0.091 0.000 2.274 510 E HA -0.024 4.326 4.350 -0.000 0.000 0.194 510 E C 2.105 178.539 176.600 -0.276 0.000 0.996 510 E CA 0.803 57.143 56.400 -0.099 0.000 0.840 510 E CB -0.009 29.663 29.700 -0.047 0.000 0.772 510 E HN 0.510 nan 8.360 nan 0.000 0.491 511 L N -0.901 120.061 121.223 -0.435 0.000 2.168 511 L HA 0.131 4.471 4.340 -0.000 0.000 0.203 511 L C 2.374 178.989 176.870 -0.425 0.000 1.078 511 L CA 1.042 55.354 54.840 -0.881 0.000 0.780 511 L CB -0.847 40.777 42.059 -0.724 0.000 0.939 511 L HN 0.109 nan 8.230 nan 0.000 0.451 512 G N 0.272 109.038 108.800 -0.057 0.000 2.402 512 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.216 512 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.216 512 G C 1.808 176.790 174.900 0.138 0.000 1.162 512 G CA 0.869 46.113 45.100 0.240 0.000 0.777 512 G HN 0.402 nan 8.290 nan 0.000 0.539 513 A N 1.716 124.566 122.820 0.050 0.000 1.883 513 A HA 0.047 4.366 4.320 -0.000 0.000 0.217 513 A C 0.790 178.372 177.584 -0.003 0.000 1.186 513 A CA 2.061 54.141 52.037 0.071 0.000 0.624 513 A CB -1.201 17.838 19.000 0.066 0.000 0.822 513 A HN 0.380 nan 8.150 nan 0.000 0.444 514 P HA -0.133 nan 4.420 nan 0.000 0.214 514 P C 1.267 178.463 177.300 -0.173 0.000 1.163 514 P CA 1.119 64.127 63.100 -0.153 0.000 0.883 514 P CB -0.260 31.311 31.700 -0.215 0.000 0.788 515 F N -0.487 119.309 119.950 -0.256 0.000 2.126 515 F HA -0.208 4.319 4.527 -0.000 0.000 0.299 515 F C 2.751 178.170 175.800 -0.634 0.000 1.096 515 F CA 1.400 59.053 58.000 -0.579 0.000 1.255 515 F CB -0.821 37.463 39.000 -1.193 0.000 0.997 515 F HN -0.021 nan 8.300 nan 0.000 0.479 516 S N 0.556 116.101 115.700 -0.259 0.000 2.345 516 S HA -0.112 4.358 4.470 -0.000 0.000 0.219 516 S C 2.004 176.656 174.600 0.086 0.000 1.031 516 S CA 0.946 59.163 58.200 0.028 0.000 0.984 516 S CB -0.478 62.921 63.200 0.332 0.000 0.874 516 S HN 0.280 nan 8.310 nan 0.000 0.451 517 L N 1.014 122.291 121.223 0.090 0.000 2.131 517 L HA -0.046 4.294 4.340 -0.000 0.000 0.210 517 L C 2.853 179.801 176.870 0.131 0.000 1.092 517 L CA 1.034 55.940 54.840 0.110 0.000 0.759 517 L CB -0.471 41.644 42.059 0.093 0.000 0.903 517 L HN 0.248 nan 8.230 nan 0.000 0.435 518 K N 0.610 121.075 120.400 0.107 0.000 2.097 518 K HA -0.082 4.237 4.320 -0.000 0.000 0.205 518 K C 1.990 178.658 176.600 0.112 0.000 1.050 518 K CA 1.436 57.812 56.287 0.149 0.000 0.938 518 K CB -0.428 32.102 32.500 0.051 0.000 0.718 518 K HN 0.344 nan 8.250 nan 0.000 0.442 519 G N 0.599 109.413 108.800 0.023 0.000 2.464 519 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.217 519 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.217 519 G C 1.446 176.370 174.900 0.039 0.000 1.138 519 G CA 0.091 45.171 45.100 -0.034 0.000 0.793 519 G HN 0.115 nan 8.290 nan 0.000 0.539 520 L N 0.424 121.703 121.223 0.094 0.000 2.007 520 L HA 0.156 4.495 4.340 -0.000 0.000 0.205 520 L C 2.800 179.765 176.870 0.158 0.000 1.073 520 L CA 1.281 56.189 54.840 0.113 0.000 0.744 520 L CB -0.716 41.405 42.059 0.103 0.000 0.898 520 L HN 0.137 nan 8.230 nan 0.000 0.435 521 M N -1.126 118.596 119.600 0.204 0.000 2.447 521 M HA 0.102 4.582 4.480 -0.000 0.000 0.264 521 M C 2.073 178.662 176.300 0.481 0.000 1.095 521 M CA 0.942 56.388 55.300 0.243 0.000 1.125 521 M CB -1.703 30.897 32.600 -0.001 0.000 1.389 521 M HN 0.286 nan 8.290 nan 0.000 0.459 522 G N 0.685 109.762 108.800 0.462 0.000 2.598 522 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.215 522 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.215 522 G C 0.852 175.944 174.900 0.321 0.000 1.131 522 G CA -0.098 45.237 45.100 0.392 0.000 0.785 522 G HN 0.439 nan 8.290 nan 0.000 0.539 523 N N 1.155 120.008 118.700 0.255 0.000 2.412 523 N HA 0.022 4.762 4.740 -0.000 0.000 0.254 523 N C -1.029 174.566 175.510 0.142 0.000 1.232 523 N CA -1.070 52.079 53.050 0.164 0.000 0.880 523 N CB 1.877 40.456 38.487 0.155 0.000 1.076 523 N HN -0.035 nan 8.380 nan 0.000 0.458 524 P HA -0.142 nan 4.420 nan 0.000 0.220 524 P C 1.492 178.575 177.300 -0.362 0.000 1.148 524 P CA 1.150 64.081 63.100 -0.281 0.000 0.803 524 P CB -0.152 31.228 31.700 -0.534 0.000 0.782 525 I N -3.284 117.245 120.570 -0.069 0.000 2.916 525 I HA -0.100 4.069 4.170 -0.000 0.000 0.267 525 I C 1.515 177.934 176.117 0.504 0.000 1.263 525 I CA 1.230 62.720 61.300 0.316 0.000 1.471 525 I CB -1.106 37.249 38.000 0.592 0.000 1.089 525 I HN -0.163 nan 8.210 nan 0.000 0.468 526 C N 1.399 120.864 119.300 0.276 0.000 2.618 526 C HA 0.189 4.648 4.460 -0.000 0.000 0.264 526 C C 1.766 176.806 174.990 0.083 0.000 1.334 526 C CA 0.228 59.360 59.018 0.190 0.000 1.731 526 C CB -1.669 26.218 27.740 0.246 0.000 1.852 526 C HN 0.708 nan 8.230 nan 0.000 0.566 527 S N 1.819 117.406 115.700 -0.190 0.000 2.592 527 S HA 0.212 4.682 4.470 -0.000 0.000 0.271 527 S C -1.681 172.891 174.600 -0.047 0.000 1.326 527 S CA -0.610 57.245 58.200 -0.575 0.000 1.024 527 S CB 0.745 63.613 63.200 -0.555 0.000 0.921 527 S HN 0.056 nan 8.310 nan 0.000 0.527 528 P HA -0.115 nan 4.420 nan 0.000 0.216 528 P C 1.500 178.739 177.300 -0.102 0.000 1.153 528 P CA 1.156 63.990 63.100 -0.443 0.000 0.858 528 P CB 0.036 31.342 31.700 -0.657 0.000 0.789 529 Q N -2.286 117.491 119.800 -0.038 0.000 2.369 529 Q HA -0.075 4.264 4.340 -0.000 0.000 0.206 529 Q C 1.798 177.765 176.000 -0.055 0.000 0.963 529 Q CA 1.283 57.061 55.803 -0.042 0.000 0.894 529 Q CB -0.466 28.243 28.738 -0.047 0.000 0.965 529 Q HN 0.479 nan 8.270 nan 0.000 0.475 530 Y N -2.050 118.245 120.300 -0.008 0.000 2.441 530 Y HA 0.006 4.555 4.550 -0.000 0.000 0.288 530 Y C 1.116 177.078 175.900 0.102 0.000 1.118 530 Y CA -0.213 57.891 58.100 0.008 0.000 1.215 530 Y CB 0.347 38.858 38.460 0.085 0.000 1.118 530 Y HN 0.165 nan 8.280 nan 0.000 0.547 531 W N 5.058 126.500 121.300 0.238 0.000 1.606 531 W HA 0.214 4.873 4.660 -0.001 0.000 0.455 531 W C -0.733 175.890 176.519 0.173 0.000 0.711 531 W CA 0.120 57.685 57.345 0.367 0.000 1.876 531 W CB -0.513 29.253 29.460 0.512 0.000 1.776 531 W HN 0.079 nan 8.180 nan 0.000 0.229 532 K N 2.481 122.689 120.400 -0.319 0.000 2.556 532 K HA 0.411 4.731 4.320 -0.000 0.000 0.274 532 K C -2.650 173.458 176.600 -0.820 0.000 0.966 532 K CA -1.586 54.367 56.287 -0.556 0.000 0.865 532 K CB 1.576 33.924 32.500 -0.254 0.000 1.444 532 K HN -0.287 nan 8.250 nan 0.000 0.433 533 P HA -0.258 nan 4.420 nan 0.000 0.216 533 P C 1.234 178.394 177.300 -0.233 0.000 1.153 533 P CA 1.993 64.774 63.100 -0.531 0.000 0.858 533 P CB 0.039 31.605 31.700 -0.223 0.000 0.789 534 S N -1.892 113.676 115.700 -0.220 0.000 2.419 534 S HA -0.144 4.326 4.470 -0.000 0.000 0.233 534 S C 1.845 176.320 174.600 -0.208 0.000 1.016 534 S CA 1.812 59.933 58.200 -0.131 0.000 0.974 534 S CB -2.002 61.129 63.200 -0.115 0.000 0.786 534 S HN 0.127 nan 8.310 nan 0.000 0.492 535 T N 1.516 115.801 114.554 -0.448 0.000 2.803 535 T HA 0.014 4.364 4.350 -0.000 0.000 0.269 535 T C 0.539 174.876 174.700 -0.605 0.000 1.052 535 T CA 1.198 62.896 62.100 -0.671 0.000 1.136 535 T CB -0.487 67.710 68.868 -1.119 0.000 0.864 535 T HN 0.631 nan 8.240 nan 0.000 0.467 536 F N 0.151 120.100 119.950 -0.002 0.000 2.772 536 F HA 0.493 5.020 4.527 -0.001 0.000 0.302 536 F C 1.565 177.460 175.800 0.159 0.000 1.136 536 F CA -0.538 57.521 58.000 0.099 0.000 1.322 536 F CB 0.160 39.236 39.000 0.128 0.000 0.967 536 F HN 0.180 nan 8.300 nan 0.000 0.513 537 G N 0.246 109.215 108.800 0.281 0.000 2.148 537 G HA2 0.091 4.051 3.960 -0.000 0.000 0.254 537 G HA3 0.091 4.051 3.960 -0.000 0.000 0.254 537 G C 0.579 175.657 174.900 0.296 0.000 0.981 537 G CA 0.015 45.321 45.100 0.343 0.000 0.670 537 G HN 1.249 nan 8.290 nan 0.000 0.528 538 G N -1.460 107.455 108.800 0.192 0.000 2.434 538 G HA2 0.234 4.194 3.960 -0.000 0.000 0.671 538 G HA3 0.234 4.194 3.960 -0.000 0.000 0.671 538 G C 0.336 175.324 174.900 0.147 0.000 1.280 538 G CA 0.499 45.677 45.100 0.130 0.000 0.975 538 G HN 0.497 nan 8.290 nan 0.000 0.510 539 E N -0.665 119.603 120.200 0.113 0.000 2.204 539 E HA -0.080 4.270 4.350 -0.000 0.000 0.195 539 E C 2.768 179.455 176.600 0.146 0.000 0.990 539 E CA 1.484 57.977 56.400 0.155 0.000 0.821 539 E CB -0.171 29.588 29.700 0.099 0.000 0.750 539 E HN 0.415 nan 8.360 nan 0.000 0.477 540 V N 0.564 120.536 119.914 0.097 0.000 2.323 540 V HA -0.129 3.990 4.120 -0.000 0.000 0.244 540 V C 2.413 178.570 176.094 0.105 0.000 1.041 540 V CA 1.894 64.234 62.300 0.067 0.000 1.025 540 V CB -0.940 30.893 31.823 0.016 0.000 0.656 540 V HN 0.305 nan 8.190 nan 0.000 0.451 541 G N -0.865 108.031 108.800 0.159 0.000 2.418 541 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.217 541 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.217 541 G C 1.551 176.587 174.900 0.227 0.000 1.158 541 G CA 0.750 45.976 45.100 0.210 0.000 0.771 541 G HN 0.404 nan 8.290 nan 0.000 0.545 542 F N 1.703 121.680 119.950 0.045 0.000 2.171 542 F HA 0.012 4.539 4.527 -0.001 0.000 0.300 542 F C 2.492 178.226 175.800 -0.111 0.000 1.090 542 F CA 1.429 59.367 58.000 -0.103 0.000 1.293 542 F CB -0.264 38.703 39.000 -0.055 0.000 1.013 542 F HN 0.203 nan 8.300 nan 0.000 0.486 543 K N 0.423 120.836 120.400 0.021 0.000 2.148 543 K HA -0.112 4.207 4.320 -0.000 0.000 0.204 543 K C 2.112 178.685 176.600 -0.045 0.000 1.050 543 K CA 1.464 57.712 56.287 -0.065 0.000 0.942 543 K CB -0.316 32.179 32.500 -0.008 0.000 0.724 543 K HN 0.333 nan 8.250 nan 0.000 0.446 544 I N 0.777 121.349 120.570 0.004 0.000 2.208 544 I HA -0.308 3.862 4.170 -0.000 0.000 0.245 544 I C 2.079 178.213 176.117 0.028 0.000 1.097 544 I CA 1.286 62.602 61.300 0.026 0.000 1.363 544 I CB -0.240 37.796 38.000 0.060 0.000 1.051 544 I HN 0.201 nan 8.210 nan 0.000 0.413 545 I N 0.606 121.170 120.570 -0.009 0.000 2.163 545 I HA -0.257 3.913 4.170 -0.000 0.000 0.240 545 I C 1.869 178.025 176.117 0.066 0.000 1.081 545 I CA 1.287 62.612 61.300 0.043 0.000 1.353 545 I CB -0.469 37.516 38.000 -0.025 0.000 1.054 545 I HN 0.271 nan 8.210 nan 0.000 0.407 546 N N 0.351 119.004 118.700 -0.079 0.000 2.521 546 N HA -0.062 4.677 4.740 -0.000 0.000 0.188 546 N C 1.278 176.784 175.510 -0.007 0.000 1.146 546 N CA 1.428 54.440 53.050 -0.063 0.000 0.893 546 N CB -0.023 38.303 38.487 -0.269 0.000 0.975 546 N HN 0.482 nan 8.380 nan 0.000 0.451 547 T N -3.557 110.999 114.554 0.003 0.000 3.091 547 T HA 0.469 4.819 4.350 -0.000 0.000 0.277 547 T C 0.542 175.258 174.700 0.027 0.000 0.996 547 T CA -0.554 61.553 62.100 0.012 0.000 0.897 547 T CB 0.335 69.200 68.868 -0.004 0.000 1.109 547 T HN 0.070 nan 8.240 nan 0.000 0.534 548 A N 1.939 124.793 122.820 0.057 0.000 2.445 548 A HA 0.660 4.980 4.320 -0.000 0.000 0.242 548 A C 0.621 178.231 177.584 0.043 0.000 1.075 548 A CA -0.045 52.029 52.037 0.063 0.000 0.777 548 A CB 0.058 19.129 19.000 0.119 0.000 1.013 548 A HN 1.121 nan 8.150 nan 0.000 0.493 549 S N 0.935 116.638 115.700 0.006 0.000 2.588 549 S HA 0.432 4.902 4.470 -0.000 0.000 0.269 549 S C 0.374 174.922 174.600 -0.087 0.000 1.157 549 S CA -0.130 58.049 58.200 -0.034 0.000 0.824 549 S CB 0.549 63.715 63.200 -0.057 0.000 1.126 549 S HN 1.100 nan 8.310 nan 0.000 0.464 550 I N 1.296 121.766 120.570 -0.167 0.000 2.335 550 I HA -0.077 4.092 4.170 -0.000 0.000 0.251 550 I C 2.424 178.388 176.117 -0.254 0.000 1.129 550 I CA 2.007 63.155 61.300 -0.253 0.000 1.402 550 I CB -0.558 37.087 38.000 -0.593 0.000 1.069 550 I HN 0.917 nan 8.210 nan 0.000 0.424 551 Q N 0.431 120.078 119.800 -0.256 0.000 2.046 551 Q HA -0.162 4.177 4.340 -0.000 0.000 0.200 551 Q C 2.397 178.302 176.000 -0.158 0.000 0.975 551 Q CA 2.519 58.179 55.803 -0.238 0.000 0.836 551 Q CB -0.485 28.119 28.738 -0.224 0.000 0.896 551 Q HN 0.664 nan 8.270 nan 0.000 0.428 552 S N 0.026 115.655 115.700 -0.117 0.000 2.383 552 S HA -0.156 4.314 4.470 -0.000 0.000 0.227 552 S C 1.894 176.426 174.600 -0.113 0.000 1.026 552 S CA 1.078 59.224 58.200 -0.089 0.000 0.981 552 S CB -0.775 62.390 63.200 -0.057 0.000 0.818 552 S HN 0.418 nan 8.310 nan 0.000 0.472 553 L N 0.874 122.013 121.223 -0.140 0.000 2.043 553 L HA 0.004 4.343 4.340 -0.000 0.000 0.212 553 L C 2.056 178.802 176.870 -0.208 0.000 1.075 553 L CA 1.639 56.353 54.840 -0.210 0.000 0.752 553 L CB -0.571 41.315 42.059 -0.288 0.000 0.891 553 L HN 0.272 nan 8.230 nan 0.000 0.432 554 I N -1.791 118.675 120.570 -0.174 0.000 2.400 554 I HA -0.181 3.989 4.170 -0.000 0.000 0.248 554 I C 2.621 178.662 176.117 -0.128 0.000 1.109 554 I CA 1.099 62.305 61.300 -0.157 0.000 1.425 554 I CB -0.632 37.279 38.000 -0.149 0.000 1.094 554 I HN 0.448 nan 8.210 nan 0.000 0.425 555 c N 1.146 119.679 118.600 -0.113 0.000 2.413 555 c HA -0.184 4.386 4.570 -0.000 0.000 0.276 555 c C 2.712 176.754 174.090 -0.079 0.000 1.236 555 c CA 1.342 57.623 56.329 -0.081 0.000 1.735 555 c CB -1.214 41.257 42.510 -0.065 0.000 2.031 555 c HN 0.516 nan 8.230 nan 0.000 0.474 556 N N 0.968 119.614 118.700 -0.089 0.000 2.396 556 N HA -0.019 4.721 4.740 -0.000 0.000 0.180 556 N C 0.999 176.450 175.510 -0.098 0.000 1.028 556 N CA 0.978 53.978 53.050 -0.082 0.000 0.893 556 N CB -0.413 38.029 38.487 -0.076 0.000 0.967 556 N HN 0.684 nan 8.380 nan 0.000 0.440 557 N N -0.406 118.220 118.700 -0.123 0.000 2.159 557 N HA 0.098 4.838 4.740 -0.000 0.000 0.217 557 N C -0.588 174.832 175.510 -0.149 0.000 1.223 557 N CA 0.108 53.073 53.050 -0.143 0.000 0.896 557 N CB 1.971 40.354 38.487 -0.174 0.000 1.064 557 N HN -0.105 nan 8.380 nan 0.000 0.518 558 V N 1.570 121.408 119.914 -0.127 0.000 2.555 558 V HA 0.237 4.357 4.120 -0.000 0.000 0.302 558 V C 0.369 176.413 176.094 -0.083 0.000 1.038 558 V CA -1.134 61.097 62.300 -0.115 0.000 0.887 558 V CB 2.657 34.417 31.823 -0.104 0.000 0.991 558 V HN -0.037 nan 8.190 nan 0.000 0.434 559 K N 2.576 122.930 120.400 -0.077 0.000 2.451 559 K HA 0.359 4.679 4.320 -0.000 0.000 0.280 559 K C 1.176 177.757 176.600 -0.032 0.000 1.020 559 K CA 1.223 57.478 56.287 -0.053 0.000 1.008 559 K CB 0.176 32.648 32.500 -0.046 0.000 0.917 559 K HN 1.167 nan 8.250 nan 0.000 0.478 560 G N 2.929 111.714 108.800 -0.025 0.000 2.176 560 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.253 560 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.253 560 G C 0.411 175.306 174.900 -0.009 0.000 0.979 560 G CA -0.097 44.996 45.100 -0.011 0.000 0.641 560 G HN 1.256 nan 8.290 nan 0.000 0.530 561 c N 0.844 119.431 118.600 -0.023 0.000 3.563 561 c HA -0.089 4.481 4.570 -0.000 0.000 0.284 561 c C -0.229 173.861 174.090 0.001 0.000 1.356 561 c CA -0.054 56.261 56.329 -0.023 0.000 2.166 561 c CB -1.806 40.692 42.510 -0.020 0.000 1.399 561 c HN 0.813 nan 8.230 nan 0.000 0.583 562 P HA 0.213 nan 4.420 nan 0.000 0.269 562 P C -0.087 177.248 177.300 0.059 0.000 1.215 562 P CA 0.045 63.171 63.100 0.042 0.000 0.780 562 P CB 0.369 32.086 31.700 0.028 0.000 0.898 563 F N 1.398 121.332 119.950 -0.027 0.000 2.459 563 F HA 0.435 4.962 4.527 -0.000 0.000 0.346 563 F C 0.374 176.154 175.800 -0.033 0.000 1.128 563 F CA 0.906 58.886 58.000 -0.034 0.000 1.268 563 F CB 0.887 39.870 39.000 -0.029 0.000 1.161 563 F HN 0.345 nan 8.300 nan 0.000 0.583 564 T N 3.043 116.923 114.554 -1.124 0.000 2.769 564 T HA 0.601 4.951 4.350 -0.000 0.000 0.306 564 T C -1.280 172.811 174.700 -1.015 0.000 1.400 564 T CA 0.051 61.669 62.100 -0.804 0.000 1.007 564 T CB 1.159 69.821 68.868 -0.344 0.000 1.392 564 T HN 1.130 nan 8.240 nan 0.000 0.500 565 S N 0.427 115.785 115.700 -0.571 0.000 2.656 565 S HA 0.493 4.963 4.470 -0.000 0.000 0.265 565 S C -0.962 173.447 174.600 -0.318 0.000 1.132 565 S CA -0.651 57.250 58.200 -0.499 0.000 0.819 565 S CB 0.064 63.092 63.200 -0.287 0.000 1.119 565 S HN 0.612 nan 8.310 nan 0.000 0.476 566 F N 1.561 121.406 119.950 -0.174 0.000 2.727 566 F HA 0.299 4.826 4.527 -0.001 0.000 0.302 566 F C 0.791 176.287 175.800 -0.507 0.000 1.097 566 F CA -0.487 57.360 58.000 -0.254 0.000 1.330 566 F CB 0.257 39.079 39.000 -0.296 0.000 1.084 566 F HN 0.688 nan 8.300 nan 0.000 0.578 567 N N -1.046 117.551 118.700 -0.171 0.000 2.284 567 N HA 0.373 5.113 4.740 -0.000 0.000 0.300 567 N C -1.094 174.429 175.510 0.022 0.000 1.047 567 N CA -0.686 52.298 53.050 -0.110 0.000 0.821 567 N CB 1.611 40.088 38.487 -0.017 0.000 1.337 567 N HN -0.251 nan 8.380 nan 0.000 0.482 568 V N 2.794 122.729 119.914 0.035 0.000 2.540 568 V HA -0.030 4.089 4.120 -0.000 0.000 0.297 568 V C 0.950 177.081 176.094 0.062 0.000 1.024 568 V CA -0.345 61.993 62.300 0.063 0.000 1.105 568 V CB 0.018 31.871 31.823 0.051 0.000 0.938 568 V HN 0.803 nan 8.190 nan 0.000 0.482 569 Q N 0.000 119.849 119.800 0.081 0.000 2.315 569 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 569 Q CA 0.000 55.838 55.803 0.059 0.000 1.022 569 Q CB 0.000 28.750 28.738 0.020 0.000 1.108 569 Q HN 0.000 nan 8.270 nan 0.000 0.481