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 3ntg_1_D 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 0.000 177.632 177.584 0.080 0.000 1.274 18 A CA 0.000 52.077 52.037 0.066 0.000 0.836 18 A CB 0.000 19.045 19.000 0.076 0.000 0.831 19 N N 2.439 121.178 118.700 0.065 0.000 2.434 19 N HA 0.145 4.885 4.740 -0.000 0.000 0.268 19 N C -1.545 173.993 175.510 0.046 0.000 1.256 19 N CA -0.711 52.374 53.050 0.058 0.000 0.914 19 N CB 1.280 39.791 38.487 0.039 0.000 1.088 19 N HN 0.267 nan 8.380 nan 0.000 0.478 20 P HA -0.019 nan 4.420 nan 0.000 0.226 20 P C 0.715 178.000 177.300 -0.025 0.000 1.153 20 P CA 0.620 63.769 63.100 0.081 0.000 0.777 20 P CB 0.109 31.919 31.700 0.183 0.000 0.794 21 c N -0.992 117.578 118.600 -0.049 0.000 2.573 21 c HA 0.079 4.649 4.570 -0.000 0.000 0.273 21 c C 2.574 176.586 174.090 -0.129 0.000 1.346 21 c CA -0.060 56.183 56.329 -0.144 0.000 1.702 21 c CB -2.416 40.044 42.510 -0.083 0.000 1.751 21 c HN 0.349 nan 8.230 nan 0.000 0.583 22 c N 1.012 119.563 118.600 -0.081 0.000 2.456 22 c HA -0.055 4.514 4.570 -0.000 0.000 0.279 22 c C 2.816 176.858 174.090 -0.079 0.000 1.427 22 c CA 1.605 57.897 56.329 -0.061 0.000 1.778 22 c CB -1.359 41.138 42.510 -0.023 0.000 1.842 22 c HN 0.826 nan 8.230 nan 0.000 0.531 23 S N 0.395 116.026 115.700 -0.114 0.000 2.558 23 S HA -0.003 4.467 4.470 -0.000 0.000 0.217 23 S C 0.395 174.911 174.600 -0.141 0.000 0.975 23 S CA 0.273 58.407 58.200 -0.110 0.000 0.912 23 S CB -0.510 62.627 63.200 -0.105 0.000 0.776 23 S HN 0.656 nan 8.310 nan 0.000 0.526 24 N N 1.675 120.268 118.700 -0.178 0.000 2.708 24 N HA -0.083 4.657 4.740 -0.000 0.000 0.255 24 N C -2.027 173.363 175.510 -0.198 0.000 1.046 24 N CA 1.000 53.940 53.050 -0.185 0.000 0.715 24 N CB -1.531 36.862 38.487 -0.156 0.000 0.895 24 N HN 0.467 nan 8.380 nan 0.000 0.545 25 P HA -0.014 nan 4.420 nan 0.000 0.220 25 P C 0.311 177.519 177.300 -0.154 0.000 1.152 25 P CA 0.640 63.591 63.100 -0.248 0.000 0.812 25 P CB 0.114 31.513 31.700 -0.502 0.000 0.792 26 c N 2.921 121.431 118.600 -0.150 0.000 2.651 26 c HA 0.235 4.805 4.570 -0.000 0.000 0.410 26 c C 0.858 174.876 174.090 -0.119 0.000 1.372 26 c CA -0.480 55.799 56.329 -0.084 0.000 1.707 26 c CB -1.218 41.262 42.510 -0.050 0.000 2.501 26 c HN 0.284 nan 8.230 nan 0.000 0.598 27 Q N 1.922 121.639 119.800 -0.138 0.000 2.180 27 Q HA 0.306 4.646 4.340 -0.000 0.000 0.241 27 Q C 0.431 176.277 176.000 -0.256 0.000 0.970 27 Q CA -0.398 55.280 55.803 -0.209 0.000 0.919 27 Q CB 0.461 29.048 28.738 -0.253 0.000 1.222 27 Q HN 0.739 nan 8.270 nan 0.000 0.482 28 N N 1.373 119.886 118.700 -0.311 0.000 2.740 28 N HA -0.220 4.520 4.740 -0.000 0.000 0.248 28 N C -0.678 174.755 175.510 -0.128 0.000 1.062 28 N CA 0.911 53.772 53.050 -0.316 0.000 0.704 28 N CB -0.446 37.584 38.487 -0.761 0.000 0.968 28 N HN 0.654 nan 8.380 nan 0.000 0.547 29 R N -4.246 116.185 120.500 -0.115 0.000 3.963 29 R HA -0.140 4.200 4.340 -0.000 0.000 0.394 29 R C 0.864 177.152 176.300 -0.021 0.000 1.131 29 R CA 1.192 57.252 56.100 -0.068 0.000 1.059 29 R CB -2.292 27.977 30.300 -0.052 0.000 1.614 29 R HN 0.465 nan 8.270 nan 0.000 0.546 30 G N 0.985 109.768 108.800 -0.028 0.000 2.544 30 G HA2 0.296 4.256 3.960 -0.000 0.000 0.242 30 G HA3 0.296 4.256 3.960 -0.000 0.000 0.242 30 G C -0.131 174.774 174.900 0.009 0.000 1.247 30 G CA -0.322 44.783 45.100 0.009 0.000 0.840 30 G HN 0.189 nan 8.290 nan 0.000 0.578 31 E N -0.263 119.961 120.200 0.040 0.000 2.191 31 E HA 0.297 4.646 4.350 -0.000 0.000 0.278 31 E C -0.701 175.926 176.600 0.045 0.000 0.972 31 E CA -0.576 55.855 56.400 0.051 0.000 0.804 31 E CB 1.975 31.733 29.700 0.096 0.000 1.110 31 E HN 0.396 nan 8.360 nan 0.000 0.394 32 c N 4.574 123.183 118.600 0.015 0.000 2.369 32 c HA 0.580 5.150 4.570 -0.000 0.000 0.358 32 c C -0.336 173.782 174.090 0.047 0.000 1.274 32 c CA -0.350 55.989 56.329 0.016 0.000 1.935 32 c CB -0.547 41.920 42.510 -0.073 0.000 2.431 32 c HN 0.778 nan 8.230 nan 0.000 0.545 33 M N 5.707 125.356 119.600 0.082 0.000 2.326 33 M HA 0.387 4.867 4.480 -0.000 0.000 0.292 33 M C -0.018 176.333 176.300 0.086 0.000 1.081 33 M CA -0.082 55.258 55.300 0.067 0.000 0.919 33 M CB 1.973 34.605 32.600 0.053 0.000 1.634 33 M HN 0.783 nan 8.290 nan 0.000 0.451 34 S N 2.339 118.071 115.700 0.053 0.000 2.533 34 S HA 0.240 4.709 4.470 -0.000 0.000 0.282 34 S C 0.577 175.179 174.600 0.003 0.000 1.304 34 S CA 0.083 58.312 58.200 0.048 0.000 1.063 34 S CB 0.360 63.567 63.200 0.012 0.000 0.881 34 S HN 0.772 nan 8.310 nan 0.000 0.493 35 T N -0.556 113.999 114.554 0.002 0.000 3.269 35 T HA 0.625 4.975 4.350 -0.000 0.000 0.269 35 T C 0.617 175.278 174.700 -0.065 0.000 0.993 35 T CA -0.085 61.993 62.100 -0.036 0.000 0.909 35 T CB -0.650 68.200 68.868 -0.031 0.000 1.115 35 T HN 1.612 nan 8.240 nan 0.000 0.543 36 G N 0.118 108.856 108.800 -0.103 0.000 2.359 36 G HA2 0.231 4.191 3.960 -0.000 0.000 0.314 36 G HA3 0.231 4.191 3.960 -0.000 0.000 0.314 36 G C -0.262 174.569 174.900 -0.115 0.000 1.364 36 G CA -0.821 44.185 45.100 -0.157 0.000 0.978 36 G HN 0.043 nan 8.290 nan 0.000 0.615 37 F N -0.066 119.896 119.950 0.020 0.000 2.202 37 F HA 0.043 4.569 4.527 -0.000 0.000 0.301 37 F C 1.977 177.797 175.800 0.033 0.000 1.082 37 F CA 1.918 59.933 58.000 0.024 0.000 1.313 37 F CB 0.319 39.330 39.000 0.018 0.000 1.024 37 F HN 0.326 nan 8.300 nan 0.000 0.495 38 D N -1.368 119.150 120.400 0.197 0.000 2.556 38 D HA 0.124 4.764 4.640 -0.000 0.000 0.237 38 D C -0.186 176.185 176.300 0.118 0.000 1.296 38 D CA 0.179 54.266 54.000 0.145 0.000 0.807 38 D CB 0.431 41.305 40.800 0.124 0.000 1.084 38 D HN 0.260 nan 8.370 nan 0.000 0.510 39 Q N 0.202 120.056 119.800 0.090 0.000 2.351 39 Q HA 0.562 4.902 4.340 -0.000 0.000 0.273 39 Q C -0.814 175.246 176.000 0.100 0.000 1.077 39 Q CA -0.926 54.904 55.803 0.044 0.000 0.843 39 Q CB 2.089 30.809 28.738 -0.031 0.000 1.367 39 Q HN 0.167 nan 8.270 nan 0.000 0.449 40 Y N -1.985 118.316 120.300 0.002 0.000 2.609 40 Y HA 0.815 5.365 4.550 -0.000 0.000 0.342 40 Y C -1.258 174.641 175.900 -0.001 0.000 1.058 40 Y CA -1.316 56.782 58.100 -0.003 0.000 1.055 40 Y CB 1.787 40.246 38.460 -0.002 0.000 1.292 40 Y HN 0.535 nan 8.280 nan 0.000 0.476 41 K N 1.507 121.992 120.400 0.142 0.000 2.468 41 K HA 0.692 5.012 4.320 -0.000 0.000 0.252 41 K C -1.998 174.718 176.600 0.192 0.000 0.932 41 K CA -0.532 55.800 56.287 0.076 0.000 0.794 41 K CB 1.717 34.226 32.500 0.015 0.000 1.241 41 K HN 0.958 nan 8.250 nan 0.000 0.428 42 c N 2.644 121.356 118.600 0.186 0.000 2.307 42 c HA 0.287 4.857 4.570 -0.000 0.000 0.340 42 c C -0.345 173.804 174.090 0.097 0.000 1.275 42 c CA -0.664 55.754 56.329 0.148 0.000 1.811 42 c CB 0.363 42.963 42.510 0.151 0.000 2.372 42 c HN 0.724 nan 8.230 nan 0.000 0.531 43 D N 2.038 122.487 120.400 0.081 0.000 2.411 43 D HA 0.195 4.835 4.640 -0.000 0.000 0.225 43 D C 0.353 176.697 176.300 0.074 0.000 1.156 43 D CA -0.197 53.845 54.000 0.070 0.000 0.874 43 D CB 0.626 41.464 40.800 0.063 0.000 1.034 43 D HN 0.656 nan 8.370 nan 0.000 0.502 44 c N 2.533 121.186 118.600 0.088 0.000 2.697 44 c HA 0.123 4.692 4.570 -0.000 0.000 0.267 44 c C 0.930 175.085 174.090 0.109 0.000 1.278 44 c CA -0.340 56.055 56.329 0.109 0.000 1.708 44 c CB -1.389 41.210 42.510 0.148 0.000 1.860 44 c HN 0.525 nan 8.230 nan 0.000 0.589 45 T N 1.713 116.315 114.554 0.081 0.000 2.819 45 T HA -0.031 4.319 4.350 -0.000 0.000 0.282 45 T C 0.963 175.705 174.700 0.070 0.000 1.013 45 T CA 0.837 62.977 62.100 0.067 0.000 1.159 45 T CB -0.086 68.810 68.868 0.047 0.000 1.007 45 T HN 0.640 nan 8.240 nan 0.000 0.514 46 R N 0.198 120.739 120.500 0.069 0.000 3.875 46 R HA -0.233 4.107 4.340 -0.000 0.000 0.321 46 R C 1.656 178.011 176.300 0.093 0.000 1.196 46 R CA 1.199 57.338 56.100 0.066 0.000 0.868 46 R CB -2.062 28.267 30.300 0.048 0.000 1.333 46 R HN 0.946 nan 8.270 nan 0.000 0.522 47 T N -5.718 108.913 114.554 0.129 0.000 3.031 47 T HA 0.264 4.614 4.350 -0.000 0.000 0.254 47 T C 1.538 176.370 174.700 0.220 0.000 1.060 47 T CA 1.133 63.352 62.100 0.199 0.000 1.135 47 T CB 0.798 69.818 68.868 0.253 0.000 0.896 47 T HN 0.672 nan 8.240 nan 0.000 0.472 48 G N 0.641 109.505 108.800 0.106 0.000 2.213 48 G HA2 -0.108 3.852 3.960 -0.000 0.000 0.226 48 G HA3 -0.108 3.852 3.960 -0.000 0.000 0.226 48 G C -0.115 174.610 174.900 -0.292 0.000 0.992 48 G CA -0.104 44.927 45.100 -0.115 0.000 0.632 48 G HN 0.550 nan 8.290 nan 0.000 0.511 49 F N 0.218 120.194 119.950 0.044 0.000 2.575 49 F HA 0.834 5.360 4.527 -0.000 0.000 0.330 49 F C 0.378 176.228 175.800 0.083 0.000 1.056 49 F CA -1.068 56.921 58.000 -0.019 0.000 0.964 49 F CB 1.357 40.319 39.000 -0.064 0.000 1.258 49 F HN 0.288 nan 8.300 nan 0.000 0.484 50 Y N -1.189 119.240 120.300 0.215 0.000 2.715 50 Y HA 0.923 5.473 4.550 -0.000 0.000 0.331 50 Y C -0.059 175.910 175.900 0.114 0.000 1.197 50 Y CA -1.780 56.398 58.100 0.129 0.000 1.079 50 Y CB 1.127 39.635 38.460 0.079 0.000 1.298 50 Y HN 1.044 nan 8.280 nan 0.000 0.477 51 G N 0.241 109.237 108.800 0.326 0.000 2.603 51 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.686 51 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.686 51 G C 0.271 175.244 174.900 0.121 0.000 1.286 51 G CA -0.029 45.189 45.100 0.195 0.000 0.871 51 G HN 1.203 nan 8.290 nan 0.000 0.568 52 E N -0.363 119.889 120.200 0.087 0.000 2.114 52 E HA -0.198 4.152 4.350 -0.000 0.000 0.199 52 E C 1.520 178.189 176.600 0.116 0.000 1.008 52 E CA 1.840 58.283 56.400 0.072 0.000 0.810 52 E CB -0.091 29.634 29.700 0.042 0.000 0.739 52 E HN 0.399 nan 8.360 nan 0.000 0.456 53 N N -0.753 118.003 118.700 0.094 0.000 2.234 53 N HA 0.087 4.827 4.740 -0.000 0.000 0.227 53 N C -0.656 174.857 175.510 0.006 0.000 1.151 53 N CA 0.545 53.640 53.050 0.074 0.000 0.865 53 N CB 0.452 38.967 38.487 0.047 0.000 1.066 53 N HN 0.178 nan 8.380 nan 0.000 0.515 54 c N 0.817 119.438 118.600 0.035 0.000 4.056 54 c HA -0.115 4.455 4.570 -0.000 0.000 0.302 54 c C 1.674 175.701 174.090 -0.104 0.000 1.356 54 c CA 0.997 57.343 56.329 0.027 0.000 2.074 54 c CB -3.150 39.372 42.510 0.020 0.000 1.328 54 c HN 0.556 nan 8.230 nan 0.000 0.684 55 T N -4.721 109.793 114.554 -0.067 0.000 2.985 55 T HA 0.148 4.498 4.350 -0.000 0.000 0.254 55 T C 0.348 175.073 174.700 0.043 0.000 1.021 55 T CA 0.516 62.550 62.100 -0.110 0.000 0.957 55 T CB 0.206 69.019 68.868 -0.093 0.000 1.047 55 T HN 0.562 nan 8.240 nan 0.000 0.511 56 T N 5.766 120.295 114.554 -0.043 0.000 2.723 56 T HA 0.384 4.734 4.350 -0.000 0.000 0.297 56 T C -2.660 171.831 174.700 -0.347 0.000 0.925 56 T CA -1.193 60.757 62.100 -0.249 0.000 1.030 56 T CB 1.095 69.630 68.868 -0.555 0.000 0.905 56 T HN 0.205 nan 8.240 nan 0.000 0.502 57 P HA 0.258 nan 4.420 nan 0.000 0.279 57 P C 0.052 177.188 177.300 -0.273 0.000 1.239 57 P CA -0.505 62.352 63.100 -0.405 0.000 0.789 57 P CB 1.042 32.548 31.700 -0.323 0.000 0.933 58 E N 0.722 120.812 120.200 -0.183 0.000 2.435 58 E HA -0.040 4.310 4.350 -0.000 0.000 0.256 58 E C 0.808 177.442 176.600 0.057 0.000 1.245 58 E CA -0.175 56.284 56.400 0.098 0.000 0.989 58 E CB 0.018 29.759 29.700 0.069 0.000 0.983 58 E HN 0.398 nan 8.360 nan 0.000 0.480 59 F N 1.043 120.997 119.950 0.006 0.000 2.075 59 F HA -0.160 4.367 4.527 -0.000 0.000 0.297 59 F C 1.767 177.541 175.800 -0.043 0.000 1.113 59 F CA 1.269 59.260 58.000 -0.014 0.000 1.218 59 F CB -0.261 38.741 39.000 0.002 0.000 0.984 59 F HN 0.343 nan 8.300 nan 0.000 0.472 60 L N 0.294 121.394 121.223 -0.205 0.000 2.131 60 L HA -0.195 4.145 4.340 -0.000 0.000 0.210 60 L C 2.362 179.053 176.870 -0.299 0.000 1.092 60 L CA 2.188 56.834 54.840 -0.323 0.000 0.759 60 L CB -1.068 40.922 42.059 -0.115 0.000 0.903 60 L HN 0.217 nan 8.230 nan 0.000 0.435 61 T N -1.610 112.789 114.554 -0.258 0.000 2.867 61 T HA -0.160 4.190 4.350 -0.000 0.000 0.268 61 T C 2.043 176.585 174.700 -0.264 0.000 1.057 61 T CA 1.058 62.979 62.100 -0.300 0.000 1.136 61 T CB -0.137 68.421 68.868 -0.517 0.000 0.874 61 T HN 0.269 nan 8.240 nan 0.000 0.466 62 R N 0.342 120.688 120.500 -0.256 0.000 2.075 62 R HA 0.061 4.401 4.340 -0.000 0.000 0.232 62 R C 2.309 178.492 176.300 -0.196 0.000 1.126 62 R CA 1.116 57.106 56.100 -0.182 0.000 0.963 62 R CB -0.492 29.736 30.300 -0.119 0.000 0.858 62 R HN 0.344 nan 8.270 nan 0.000 0.435 63 I N 1.046 121.426 120.570 -0.317 0.000 2.208 63 I HA -0.307 3.863 4.170 -0.000 0.000 0.245 63 I C 2.074 178.095 176.117 -0.160 0.000 1.097 63 I CA 1.570 62.714 61.300 -0.260 0.000 1.363 63 I CB -0.163 37.624 38.000 -0.355 0.000 1.051 63 I HN 0.059 nan 8.210 nan 0.000 0.413 64 K N 0.461 120.767 120.400 -0.156 0.000 2.032 64 K HA -0.153 4.167 4.320 -0.000 0.000 0.209 64 K C 2.083 178.654 176.600 -0.048 0.000 1.048 64 K CA 1.423 57.656 56.287 -0.090 0.000 0.927 64 K CB -0.390 32.059 32.500 -0.085 0.000 0.712 64 K HN 0.254 nan 8.250 nan 0.000 0.441 65 L N 0.579 121.773 121.223 -0.048 0.000 2.265 65 L HA -0.187 4.153 4.340 -0.000 0.000 0.215 65 L C 1.951 178.815 176.870 -0.009 0.000 1.117 65 L CA 0.465 55.303 54.840 -0.004 0.000 0.782 65 L CB -0.117 41.951 42.059 0.016 0.000 0.914 65 L HN 0.147 nan 8.230 nan 0.000 0.441 66 L N -1.635 119.569 121.223 -0.033 0.000 2.249 66 L HA -0.053 4.287 4.340 -0.000 0.000 0.207 66 L C 1.855 178.710 176.870 -0.025 0.000 1.090 66 L CA 1.161 55.985 54.840 -0.027 0.000 0.802 66 L CB -0.182 41.854 42.059 -0.038 0.000 0.947 66 L HN 0.100 nan 8.230 nan 0.000 0.453 67 L N -1.006 120.198 121.223 -0.032 0.000 2.416 67 L HA 0.096 4.436 4.340 -0.000 0.000 0.216 67 L C 1.073 177.935 176.870 -0.013 0.000 1.098 67 L CA 0.571 55.394 54.840 -0.029 0.000 0.840 67 L CB -0.595 41.438 42.059 -0.044 0.000 0.981 67 L HN 0.051 nan 8.230 nan 0.000 0.462 68 K N 2.109 122.510 120.400 0.002 0.000 2.383 68 K HA 0.195 4.515 4.320 -0.000 0.000 0.286 68 K C -2.151 174.467 176.600 0.030 0.000 1.051 68 K CA -1.395 54.908 56.287 0.027 0.000 0.974 68 K CB 0.657 33.185 32.500 0.048 0.000 0.968 68 K HN -0.058 nan 8.250 nan 0.000 0.475 69 P HA 0.100 nan 4.420 nan 0.000 0.278 69 P C -0.789 176.543 177.300 0.053 0.000 1.258 69 P CA -0.599 62.523 63.100 0.037 0.000 0.811 69 P CB 0.882 32.605 31.700 0.038 0.000 1.063 70 T N -1.908 112.675 114.554 0.048 0.000 2.900 70 T HA 0.146 4.496 4.350 -0.000 0.000 0.307 70 T C -1.784 172.965 174.700 0.080 0.000 1.065 70 T CA -1.111 61.021 62.100 0.053 0.000 1.105 70 T CB -0.319 68.573 68.868 0.039 0.000 0.979 70 T HN 0.183 nan 8.240 nan 0.000 0.544 71 P HA -0.075 nan 4.420 nan 0.000 0.218 71 P C 1.310 178.700 177.300 0.151 0.000 1.148 71 P CA 0.834 64.004 63.100 0.116 0.000 0.822 71 P CB -0.014 31.740 31.700 0.090 0.000 0.784 72 N N -1.462 117.309 118.700 0.118 0.000 2.188 72 N HA -0.079 4.661 4.740 -0.000 0.000 0.184 72 N C 1.620 177.247 175.510 0.195 0.000 1.018 72 N CA 1.394 54.532 53.050 0.147 0.000 0.858 72 N CB -1.199 37.344 38.487 0.093 0.000 0.989 72 N HN 0.148 nan 8.380 nan 0.000 0.426 73 T N 0.759 115.394 114.554 0.135 0.000 2.777 73 T HA -0.025 4.325 4.350 -0.000 0.000 0.266 73 T C 2.152 176.964 174.700 0.187 0.000 1.040 73 T CA 0.801 62.975 62.100 0.124 0.000 1.141 73 T CB -0.263 68.644 68.868 0.064 0.000 0.868 73 T HN -0.031 nan 8.240 nan 0.000 0.444 74 V N 1.384 121.398 119.914 0.167 0.000 2.343 74 V HA -0.208 3.912 4.120 -0.000 0.000 0.247 74 V C 2.390 178.580 176.094 0.161 0.000 1.051 74 V CA 1.701 64.091 62.300 0.151 0.000 1.036 74 V CB -0.766 31.131 31.823 0.123 0.000 0.654 74 V HN 0.628 nan 8.190 nan 0.000 0.451 75 H N -0.853 118.299 119.070 0.137 0.000 2.321 75 H HA -0.249 4.307 4.556 -0.000 0.000 0.300 75 H C 2.340 177.787 175.328 0.198 0.000 1.087 75 H CA 2.462 58.602 56.048 0.154 0.000 1.319 75 H CB -0.236 29.638 29.762 0.186 0.000 1.379 75 H HN 0.524 nan 8.280 nan 0.000 0.501 76 Y N 1.193 121.611 120.300 0.197 0.000 2.114 76 Y HA -0.245 4.305 4.550 -0.000 0.000 0.282 76 Y C 2.699 178.748 175.900 0.248 0.000 1.165 76 Y CA 2.148 60.370 58.100 0.204 0.000 1.148 76 Y CB -0.463 38.062 38.460 0.107 0.000 0.972 76 Y HN 0.136 nan 8.280 nan 0.000 0.504 77 I N -0.413 120.438 120.570 0.468 0.000 2.252 77 I HA -0.306 3.864 4.170 -0.000 0.000 0.245 77 I C 2.043 178.467 176.117 0.511 0.000 1.102 77 I CA 0.762 62.392 61.300 0.549 0.000 1.385 77 I CB -0.369 37.892 38.000 0.435 0.000 1.064 77 I HN 0.294 nan 8.210 nan 0.000 0.414 78 L N 0.550 121.826 121.223 0.088 0.000 2.376 78 L HA -0.086 4.254 4.340 -0.000 0.000 0.219 78 L C 2.178 178.792 176.870 -0.427 0.000 1.133 78 L CA 1.865 56.469 54.840 -0.394 0.000 0.816 78 L CB -1.212 40.169 42.059 -1.130 0.000 0.933 78 L HN 0.456 nan 8.230 nan 0.000 0.449 79 T N -5.412 108.957 114.554 -0.308 0.000 3.092 79 T HA 0.187 4.537 4.350 -0.000 0.000 0.258 79 T C 0.431 174.833 174.700 -0.498 0.000 1.031 79 T CA -0.269 61.507 62.100 -0.540 0.000 0.925 79 T CB 0.110 68.623 68.868 -0.592 0.000 1.036 79 T HN 0.204 nan 8.240 nan 0.000 0.544 80 H N -0.862 118.161 119.070 -0.079 0.000 2.949 80 H HA 0.603 5.159 4.556 -0.000 0.000 0.310 80 H C -0.628 174.843 175.328 0.239 0.000 1.405 80 H CA -1.704 54.254 56.048 -0.151 0.000 1.253 80 H CB 0.638 29.898 29.762 -0.837 0.000 1.932 80 H HN 0.043 nan 8.280 nan 0.000 0.602 81 F N -0.591 119.532 119.950 0.289 0.000 3.071 81 F HA -0.281 4.246 4.527 -0.000 0.000 0.295 81 F C 1.638 177.541 175.800 0.172 0.000 0.919 81 F CA 0.640 58.731 58.000 0.152 0.000 1.050 81 F CB -0.910 38.109 39.000 0.032 0.000 1.040 81 F HN 0.513 nan 8.300 nan 0.000 0.692 82 K N 1.157 121.684 120.400 0.211 0.000 2.063 82 K HA -0.145 4.175 4.320 -0.000 0.000 0.208 82 K C 2.291 178.952 176.600 0.101 0.000 1.048 82 K CA 1.729 58.039 56.287 0.038 0.000 0.928 82 K CB -0.578 31.678 32.500 -0.406 0.000 0.713 82 K HN 0.528 nan 8.250 nan 0.000 0.442 83 G N 0.194 109.034 108.800 0.067 0.000 2.450 83 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.220 83 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.220 83 G C 1.407 176.334 174.900 0.046 0.000 1.130 83 G CA 1.066 46.197 45.100 0.052 0.000 0.760 83 G HN 0.230 nan 8.290 nan 0.000 0.557 84 V N -0.735 119.191 119.914 0.021 0.000 2.407 84 V HA -0.074 4.046 4.120 -0.000 0.000 0.245 84 V C 2.396 178.421 176.094 -0.115 0.000 1.041 84 V CA 1.421 63.649 62.300 -0.120 0.000 1.040 84 V CB -0.657 30.989 31.823 -0.296 0.000 0.671 84 V HN 0.586 nan 8.190 nan 0.000 0.455 85 W N 0.504 121.872 121.300 0.113 0.000 2.363 85 W HA -0.144 4.515 4.660 -0.000 0.000 0.296 85 W C 2.468 179.057 176.519 0.115 0.000 1.212 85 W CA 1.429 58.862 57.345 0.147 0.000 1.260 85 W CB -0.509 29.080 29.460 0.216 0.000 1.131 85 W HN 0.256 nan 8.180 nan 0.000 0.530 86 N N 0.991 119.859 118.700 0.280 0.000 2.137 86 N HA -0.216 4.524 4.740 -0.000 0.000 0.190 86 N C 1.532 177.119 175.510 0.128 0.000 1.017 86 N CA 1.680 54.828 53.050 0.164 0.000 0.859 86 N CB -0.303 38.240 38.487 0.094 0.000 1.002 86 N HN 0.171 nan 8.380 nan 0.000 0.428 87 I N 0.293 120.922 120.570 0.098 0.000 2.353 87 I HA -0.177 3.993 4.170 -0.000 0.000 0.248 87 I C 2.191 178.362 176.117 0.090 0.000 1.119 87 I CA 0.446 61.785 61.300 0.066 0.000 1.417 87 I CB -0.071 37.941 38.000 0.019 0.000 1.078 87 I HN -0.009 nan 8.210 nan 0.000 0.421 88 V N 1.344 121.333 119.914 0.125 0.000 2.295 88 V HA -0.259 3.861 4.120 -0.000 0.000 0.246 88 V C 2.093 178.332 176.094 0.241 0.000 1.049 88 V CA 1.858 64.266 62.300 0.180 0.000 1.024 88 V CB -0.840 31.143 31.823 0.268 0.000 0.648 88 V HN 0.452 nan 8.190 nan 0.000 0.447 89 N N 0.894 119.756 118.700 0.270 0.000 2.272 89 N HA -0.135 4.605 4.740 -0.000 0.000 0.185 89 N C 1.444 177.018 175.510 0.106 0.000 1.014 89 N CA 1.138 54.290 53.050 0.170 0.000 0.870 89 N CB -0.501 38.058 38.487 0.121 0.000 0.975 89 N HN 0.514 nan 8.380 nan 0.000 0.433 90 N N 0.255 119.017 118.700 0.104 0.000 2.398 90 N HA 0.100 4.840 4.740 -0.000 0.000 0.188 90 N C -0.208 175.355 175.510 0.089 0.000 1.122 90 N CA 0.155 53.253 53.050 0.080 0.000 0.866 90 N CB 0.843 39.370 38.487 0.068 0.000 0.970 90 N HN 0.272 nan 8.380 nan 0.000 0.462 91 I N 1.938 122.573 120.570 0.108 0.000 2.347 91 I HA 0.193 4.363 4.170 -0.000 0.000 0.283 91 I C -1.600 174.598 176.117 0.135 0.000 1.058 91 I CA -1.952 59.424 61.300 0.127 0.000 1.202 91 I CB 1.914 39.991 38.000 0.129 0.000 1.386 91 I HN -0.275 nan 8.210 nan 0.000 0.475 92 P HA -0.250 nan 4.420 nan 0.000 0.216 92 P C 1.676 179.072 177.300 0.160 0.000 1.153 92 P CA 1.458 64.637 63.100 0.132 0.000 0.858 92 P CB 0.047 31.820 31.700 0.123 0.000 0.789 93 F N -0.269 119.719 119.950 0.063 0.000 2.161 93 F HA -0.145 4.381 4.527 -0.000 0.000 0.300 93 F C 1.934 177.777 175.800 0.072 0.000 1.089 93 F CA 1.360 59.395 58.000 0.059 0.000 1.282 93 F CB -1.071 37.955 39.000 0.044 0.000 1.010 93 F HN -0.217 nan 8.300 nan 0.000 0.485 94 L N 0.098 121.040 121.223 -0.468 0.000 2.068 94 L HA -0.085 4.255 4.340 -0.000 0.000 0.204 94 L C 2.900 179.711 176.870 -0.099 0.000 1.076 94 L CA 1.238 55.795 54.840 -0.471 0.000 0.753 94 L CB -0.542 41.367 42.059 -0.249 0.000 0.910 94 L HN 0.115 nan 8.230 nan 0.000 0.439 95 R N -0.553 120.003 120.500 0.092 0.000 2.096 95 R HA -0.200 4.139 4.340 -0.000 0.000 0.240 95 R C 2.328 178.773 176.300 0.242 0.000 1.139 95 R CA 2.093 58.372 56.100 0.299 0.000 0.952 95 R CB -0.179 30.238 30.300 0.196 0.000 0.854 95 R HN 0.251 nan 8.270 nan 0.000 0.436 96 S N 0.996 116.759 115.700 0.106 0.000 2.356 96 S HA -0.153 4.317 4.470 -0.000 0.000 0.223 96 S C 1.846 176.478 174.600 0.053 0.000 1.032 96 S CA 1.249 59.496 58.200 0.079 0.000 1.005 96 S CB -0.283 62.957 63.200 0.067 0.000 0.867 96 S HN 0.354 nan 8.310 nan 0.000 0.449 97 L N 1.427 122.629 121.223 -0.034 0.000 2.042 97 L HA -0.136 4.204 4.340 -0.000 0.000 0.210 97 L C 1.993 178.862 176.870 -0.001 0.000 1.076 97 L CA 1.400 56.205 54.840 -0.058 0.000 0.749 97 L CB -0.285 41.639 42.059 -0.225 0.000 0.893 97 L HN 0.313 nan 8.230 nan 0.000 0.432 98 I N -1.180 119.385 120.570 -0.009 0.000 2.286 98 I HA -0.285 3.885 4.170 -0.000 0.000 0.245 98 I C 2.499 178.669 176.117 0.089 0.000 1.104 98 I CA 1.238 62.510 61.300 -0.046 0.000 1.397 98 I CB -0.555 37.250 38.000 -0.325 0.000 1.072 98 I HN 0.408 nan 8.210 nan 0.000 0.417 99 M N 1.293 121.033 119.600 0.232 0.000 2.213 99 M HA -0.189 4.291 4.480 -0.000 0.000 0.263 99 M C 2.191 178.573 176.300 0.136 0.000 1.062 99 M CA 1.726 57.185 55.300 0.265 0.000 1.105 99 M CB -0.537 32.226 32.600 0.272 0.000 1.385 99 M HN 0.019 nan 8.290 nan 0.000 0.417 100 K N -1.388 119.071 120.400 0.098 0.000 2.057 100 K HA -0.233 4.087 4.320 -0.000 0.000 0.207 100 K C 2.118 178.769 176.600 0.085 0.000 1.049 100 K CA 1.624 57.945 56.287 0.057 0.000 0.931 100 K CB -0.485 32.046 32.500 0.051 0.000 0.714 100 K HN 0.460 nan 8.250 nan 0.000 0.440 101 Y N 1.560 121.863 120.300 0.006 0.000 2.242 101 Y HA -0.203 4.346 4.550 -0.000 0.000 0.291 101 Y C 1.942 177.865 175.900 0.038 0.000 1.137 101 Y CA 1.533 59.639 58.100 0.009 0.000 1.181 101 Y CB -0.194 38.256 38.460 -0.017 0.000 0.989 101 Y HN -0.000 nan 8.280 nan 0.000 0.527 102 V N -1.895 118.058 119.914 0.064 0.000 2.295 102 V HA -0.246 3.873 4.120 -0.000 0.000 0.246 102 V C 2.135 178.219 176.094 -0.017 0.000 1.049 102 V CA 1.746 64.058 62.300 0.021 0.000 1.024 102 V CB -1.232 30.678 31.823 0.146 0.000 0.648 102 V HN 0.336 nan 8.190 nan 0.000 0.447 103 L N 1.820 123.049 121.223 0.010 0.000 2.017 103 L HA -0.090 4.250 4.340 -0.000 0.000 0.208 103 L C 3.013 179.891 176.870 0.015 0.000 1.073 103 L CA 2.830 57.673 54.840 0.005 0.000 0.745 103 L CB -1.535 40.491 42.059 -0.056 0.000 0.894 103 L HN 0.757 nan 8.230 nan 0.000 0.432 104 T N -3.849 110.689 114.554 -0.026 0.000 2.770 104 T HA -0.144 4.205 4.350 -0.000 0.000 0.263 104 T C 2.074 176.772 174.700 -0.002 0.000 1.039 104 T CA 1.327 63.440 62.100 0.022 0.000 1.142 104 T CB -0.873 67.997 68.868 0.003 0.000 0.868 104 T HN 0.369 nan 8.240 nan 0.000 0.435 105 S N 1.365 116.938 115.700 -0.211 0.000 2.399 105 S HA -0.071 4.399 4.470 -0.000 0.000 0.231 105 S C 2.265 176.901 174.600 0.059 0.000 1.022 105 S CA 0.807 58.897 58.200 -0.183 0.000 0.983 105 S CB -0.454 62.299 63.200 -0.746 0.000 0.803 105 S HN 0.364 nan 8.310 nan 0.000 0.480 106 R N 1.369 121.866 120.500 -0.004 0.000 2.062 106 R HA 0.231 4.571 4.340 -0.000 0.000 0.226 106 R C 2.676 178.985 176.300 0.015 0.000 1.125 106 R CA 1.525 57.636 56.100 0.017 0.000 0.966 106 R CB -0.926 29.393 30.300 0.030 0.000 0.861 106 R HN 0.477 nan 8.270 nan 0.000 0.433 107 S N -0.074 115.674 115.700 0.081 0.000 2.383 107 S HA -0.207 4.263 4.470 -0.000 0.000 0.229 107 S C 1.638 176.248 174.600 0.016 0.000 1.030 107 S CA 1.465 59.713 58.200 0.081 0.000 1.002 107 S CB -0.496 62.855 63.200 0.252 0.000 0.829 107 S HN 0.597 nan 8.310 nan 0.000 0.467 108 Y N 1.182 121.452 120.300 -0.050 0.000 2.569 108 Y HA 0.075 4.625 4.550 -0.000 0.000 0.293 108 Y C 1.540 177.379 175.900 -0.101 0.000 1.144 108 Y CA 0.572 58.628 58.100 -0.073 0.000 1.321 108 Y CB -0.282 38.145 38.460 -0.056 0.000 0.982 108 Y HN 0.090 nan 8.280 nan 0.000 0.558 109 L N 1.144 122.001 121.223 -0.609 0.000 2.551 109 L HA 0.035 4.375 4.340 -0.000 0.000 0.228 109 L C 0.162 176.773 176.870 -0.433 0.000 1.153 109 L CA 0.594 55.053 54.840 -0.634 0.000 0.851 109 L CB -0.673 41.109 42.059 -0.462 0.000 0.959 109 L HN 0.293 nan 8.230 nan 0.000 0.451 110 I N 0.217 120.626 120.570 -0.268 0.000 2.354 110 I HA 0.187 4.357 4.170 -0.000 0.000 0.292 110 I C -0.127 175.906 176.117 -0.141 0.000 0.989 110 I CA -1.061 60.138 61.300 -0.168 0.000 1.188 110 I CB 1.375 39.317 38.000 -0.097 0.000 1.342 110 I HN -0.130 nan 8.210 nan 0.000 0.457 111 D N 4.314 124.645 120.400 -0.115 0.000 2.434 111 D HA 0.139 4.779 4.640 -0.000 0.000 0.252 111 D C 0.142 176.379 176.300 -0.104 0.000 1.185 111 D CA 0.649 54.581 54.000 -0.113 0.000 0.886 111 D CB 0.791 41.516 40.800 -0.125 0.000 1.148 111 D HN 0.387 nan 8.370 nan 0.000 0.483 112 S N 2.491 118.121 115.700 -0.116 0.000 2.706 112 S HA 0.378 4.848 4.470 -0.000 0.000 0.270 112 S C -2.714 171.819 174.600 -0.112 0.000 1.163 112 S CA -1.252 56.876 58.200 -0.120 0.000 1.042 112 S CB 0.773 63.870 63.200 -0.171 0.000 1.079 112 S HN 0.030 nan 8.310 nan 0.000 0.474 113 P HA 0.251 nan 4.420 nan 0.000 0.268 113 P C -2.499 174.765 177.300 -0.060 0.000 1.208 113 P CA -0.756 62.322 63.100 -0.037 0.000 0.777 113 P CB -0.067 31.610 31.700 -0.038 0.000 0.875 114 P HA 0.069 nan 4.420 nan 0.000 0.274 114 P C -0.005 177.214 177.300 -0.135 0.000 1.256 114 P CA -0.048 62.995 63.100 -0.094 0.000 0.795 114 P CB 0.803 32.436 31.700 -0.112 0.000 1.038 115 T N -2.549 111.862 114.554 -0.239 0.000 3.364 115 T HA 0.212 4.561 4.350 -0.000 0.000 0.179 115 T C 0.593 175.074 174.700 -0.365 0.000 0.939 115 T CA 0.021 61.865 62.100 -0.426 0.000 1.094 115 T CB -0.839 67.544 68.868 -0.809 0.000 1.532 115 T HN 0.267 nan 8.240 nan 0.000 0.346 116 Y N 3.657 123.915 120.300 -0.069 0.000 2.298 116 Y HA 0.571 5.121 4.550 -0.000 0.000 0.329 116 Y C 0.906 176.737 175.900 -0.114 0.000 1.293 116 Y CA -0.609 57.440 58.100 -0.085 0.000 1.388 116 Y CB 0.555 38.980 38.460 -0.058 0.000 1.309 116 Y HN 0.720 nan 8.280 nan 0.000 0.544 117 N N -2.277 116.441 118.700 0.030 0.000 3.387 117 N HA 0.149 4.889 4.740 -0.000 0.000 0.322 117 N C -0.178 175.289 175.510 -0.072 0.000 1.588 117 N CA -0.720 52.280 53.050 -0.083 0.000 0.778 117 N CB 0.371 38.650 38.487 -0.348 0.000 1.883 117 N HN 0.399 nan 8.380 nan 0.000 0.628 118 V N -0.313 119.537 119.914 -0.107 0.000 2.469 118 V HA -0.203 3.916 4.120 -0.000 0.000 0.251 118 V C 1.136 177.161 176.094 -0.115 0.000 1.064 118 V CA 2.008 64.242 62.300 -0.111 0.000 1.066 118 V CB -0.928 30.785 31.823 -0.185 0.000 0.667 118 V HN 0.697 nan 8.190 nan 0.000 0.461 119 H N -3.123 115.897 119.070 -0.082 0.000 2.622 119 H HA 0.244 4.800 4.556 -0.000 0.000 0.269 119 H C -0.539 174.407 175.328 -0.636 0.000 0.977 119 H CA -0.042 55.847 56.048 -0.265 0.000 1.179 119 H CB 0.424 30.058 29.762 -0.214 0.000 1.458 119 H HN 0.474 nan 8.280 nan 0.000 0.531 120 Y N -0.222 119.992 120.300 -0.143 0.000 2.349 120 Y HA 0.307 4.856 4.550 -0.000 0.000 0.324 120 Y C 0.764 176.519 175.900 -0.243 0.000 1.005 120 Y CA -0.854 57.033 58.100 -0.354 0.000 1.240 120 Y CB 1.886 40.094 38.460 -0.420 0.000 1.117 120 Y HN 0.072 nan 8.280 nan 0.000 0.463 121 G N 2.628 111.326 108.800 -0.170 0.000 3.371 121 G HA2 0.191 4.151 3.960 -0.000 0.000 0.248 121 G HA3 0.191 4.151 3.960 -0.000 0.000 0.248 121 G C -0.566 174.347 174.900 0.022 0.000 1.161 121 G CA 0.153 45.160 45.100 -0.156 0.000 0.796 121 G HN 0.553 nan 8.290 nan 0.000 0.539 122 Y N -2.792 117.666 120.300 0.265 0.000 2.588 122 Y HA 0.690 5.239 4.550 -0.000 0.000 0.343 122 Y C -0.259 175.842 175.900 0.335 0.000 1.065 122 Y CA -2.253 56.040 58.100 0.322 0.000 1.038 122 Y CB 1.019 39.592 38.460 0.190 0.000 1.297 122 Y HN -0.228 nan 8.280 nan 0.000 0.467 123 K N 2.011 122.649 120.400 0.397 0.000 2.368 123 K HA 0.520 4.840 4.320 -0.000 0.000 0.282 123 K C -0.499 176.216 176.600 0.192 0.000 1.035 123 K CA 0.103 56.466 56.287 0.127 0.000 0.973 123 K CB 0.693 33.204 32.500 0.019 0.000 0.957 123 K HN 0.890 nan 8.250 nan 0.000 0.474 124 S N 1.248 116.952 115.700 0.007 0.000 2.579 124 S HA 0.190 4.660 4.470 -0.000 0.000 0.272 124 S C 0.179 174.763 174.600 -0.027 0.000 1.141 124 S CA -1.115 57.090 58.200 0.009 0.000 0.843 124 S CB 0.664 63.744 63.200 -0.200 0.000 1.122 124 S HN 0.894 nan 8.310 nan 0.000 0.468 125 W N 1.327 122.592 121.300 -0.059 0.000 2.374 125 W HA -0.116 4.544 4.660 -0.000 0.000 0.288 125 W C 1.534 178.045 176.519 -0.015 0.000 1.218 125 W CA 2.317 59.672 57.345 0.017 0.000 1.245 125 W CB -0.100 29.378 29.460 0.029 0.000 1.126 125 W HN 1.044 nan 8.180 nan 0.000 0.545 126 E N 0.804 120.938 120.200 -0.109 0.000 2.072 126 E HA -0.150 4.200 4.350 -0.000 0.000 0.191 126 E C 2.224 178.604 176.600 -0.368 0.000 0.985 126 E CA 2.312 58.584 56.400 -0.213 0.000 0.801 126 E CB -0.705 28.827 29.700 -0.281 0.000 0.750 126 E HN 0.078 nan 8.360 nan 0.000 0.452 127 A N -0.059 122.431 122.820 -0.551 0.000 1.898 127 A HA -0.107 4.213 4.320 -0.000 0.000 0.216 127 A C 2.198 179.571 177.584 -0.352 0.000 1.181 127 A CA 1.424 53.176 52.037 -0.474 0.000 0.620 127 A CB -0.955 17.798 19.000 -0.412 0.000 0.819 127 A HN 0.479 nan 8.150 nan 0.000 0.442 128 F N 2.075 121.733 119.950 -0.487 0.000 2.113 128 F HA -0.167 4.360 4.527 -0.000 0.000 0.297 128 F C 2.615 178.084 175.800 -0.551 0.000 1.103 128 F CA 2.168 59.841 58.000 -0.544 0.000 1.248 128 F CB -0.429 38.135 39.000 -0.727 0.000 0.999 128 F HN 0.279 nan 8.300 nan 0.000 0.475 129 S N -0.722 114.432 115.700 -0.909 0.000 2.446 129 S HA -0.022 4.448 4.470 -0.000 0.000 0.225 129 S C 0.916 175.265 174.600 -0.418 0.000 1.016 129 S CA 0.143 57.849 58.200 -0.824 0.000 0.943 129 S CB -0.725 62.173 63.200 -0.504 0.000 0.786 129 S HN 0.385 nan 8.310 nan 0.000 0.508 130 N N 1.597 120.153 118.700 -0.240 0.000 2.415 130 N HA 0.278 5.018 4.740 -0.000 0.000 0.246 130 N C 0.170 175.688 175.510 0.013 0.000 1.078 130 N CA -0.202 52.844 53.050 -0.006 0.000 0.942 130 N CB 0.630 39.252 38.487 0.226 0.000 1.140 130 N HN 0.329 nan 8.380 nan 0.000 0.501 131 L N 1.844 123.058 121.223 -0.015 0.000 2.558 131 L HA 0.102 4.442 4.340 -0.000 0.000 0.225 131 L C 1.719 178.689 176.870 0.167 0.000 1.128 131 L CA 0.152 55.010 54.840 0.030 0.000 0.868 131 L CB 0.094 42.154 42.059 0.002 0.000 1.006 131 L HN 0.407 nan 8.230 nan 0.000 0.454 132 S N -1.266 114.488 115.700 0.090 0.000 2.522 132 S HA 0.016 4.486 4.470 -0.000 0.000 0.227 132 S C 0.304 174.890 174.600 -0.024 0.000 0.986 132 S CA 0.331 58.549 58.200 0.031 0.000 0.929 132 S CB -0.163 63.060 63.200 0.039 0.000 0.769 132 S HN 0.222 nan 8.310 nan 0.000 0.529 133 Y N 0.472 120.736 120.300 -0.060 0.000 2.299 133 Y HA 0.327 4.876 4.550 -0.000 0.000 0.326 133 Y C 0.164 175.983 175.900 -0.135 0.000 1.164 133 Y CA -1.070 56.870 58.100 -0.266 0.000 1.234 133 Y CB 0.350 38.662 38.460 -0.247 0.000 1.219 133 Y HN 0.050 nan 8.280 nan 0.000 0.497 134 Y N 1.016 121.365 120.300 0.082 0.000 2.480 134 Y HA 0.056 4.606 4.550 -0.000 0.000 0.338 134 Y C 1.051 176.981 175.900 0.050 0.000 1.220 134 Y CA 0.040 58.204 58.100 0.107 0.000 1.430 134 Y CB 0.478 38.959 38.460 0.036 0.000 1.311 134 Y HN 0.553 nan 8.280 nan 0.000 0.575 135 T N 3.187 117.861 114.554 0.200 0.000 2.770 135 T HA 0.454 4.804 4.350 -0.000 0.000 0.281 135 T C -0.369 174.379 174.700 0.079 0.000 0.981 135 T CA -0.677 61.463 62.100 0.066 0.000 0.955 135 T CB 0.341 69.211 68.868 0.003 0.000 1.060 135 T HN 0.441 nan 8.240 nan 0.000 0.531 136 R N 0.647 121.196 120.500 0.082 0.000 2.538 136 R HA 0.532 4.872 4.340 -0.000 0.000 0.292 136 R C 0.675 177.092 176.300 0.197 0.000 1.008 136 R CA -0.435 55.727 56.100 0.105 0.000 0.896 136 R CB 1.411 31.763 30.300 0.087 0.000 1.187 136 R HN 0.711 nan 8.270 nan 0.000 0.440 137 A N 3.765 126.746 122.820 0.268 0.000 1.930 137 A HA 0.061 4.381 4.320 -0.000 0.000 0.217 137 A C 0.740 178.472 177.584 0.247 0.000 1.175 137 A CA 1.079 53.326 52.037 0.349 0.000 0.627 137 A CB 0.106 19.514 19.000 0.680 0.000 0.815 137 A HN 0.484 nan 8.150 nan 0.000 0.443 138 L N 0.507 121.861 121.223 0.218 0.000 2.346 138 L HA 0.375 4.715 4.340 -0.000 0.000 0.274 138 L C -2.440 174.366 176.870 -0.106 0.000 1.007 138 L CA -2.597 52.211 54.840 -0.053 0.000 0.818 138 L CB 2.339 44.144 42.059 -0.424 0.000 1.284 138 L HN 0.046 nan 8.230 nan 0.000 0.424 139 P HA 0.134 nan 4.420 nan 0.000 0.269 139 P C -2.659 174.508 177.300 -0.221 0.000 1.215 139 P CA -1.228 61.622 63.100 -0.417 0.000 0.780 139 P CB -0.219 30.971 31.700 -0.849 0.000 0.898 140 P HA -0.009 nan 4.420 nan 0.000 0.270 140 P C -0.190 177.077 177.300 -0.057 0.000 1.223 140 P CA 0.059 63.132 63.100 -0.044 0.000 0.785 140 P CB 0.286 31.984 31.700 -0.003 0.000 0.923 141 V N 1.577 121.485 119.914 -0.010 0.000 2.585 141 V HA 0.156 4.276 4.120 -0.000 0.000 0.296 141 V C 1.225 177.321 176.094 0.002 0.000 1.035 141 V CA -0.086 62.208 62.300 -0.010 0.000 1.084 141 V CB -0.217 31.618 31.823 0.020 0.000 0.953 141 V HN 0.745 nan 8.190 nan 0.000 0.483 142 A N 3.659 126.477 122.820 -0.003 0.000 2.483 142 A HA 0.141 4.461 4.320 -0.000 0.000 0.238 142 A C 1.225 178.825 177.584 0.027 0.000 1.070 142 A CA -0.302 51.743 52.037 0.014 0.000 0.770 142 A CB -0.028 18.985 19.000 0.021 0.000 1.008 142 A HN 0.912 nan 8.150 nan 0.000 0.497 143 D N 0.838 121.258 120.400 0.034 0.000 2.190 143 D HA -0.168 4.472 4.640 -0.000 0.000 0.200 143 D C 0.989 177.310 176.300 0.035 0.000 0.992 143 D CA 1.963 55.986 54.000 0.037 0.000 0.854 143 D CB -0.036 40.787 40.800 0.038 0.000 0.936 143 D HN 0.783 nan 8.370 nan 0.000 0.462 144 D N -0.318 120.104 120.400 0.036 0.000 2.328 144 D HA -0.034 4.606 4.640 -0.000 0.000 0.221 144 D C 0.210 176.529 176.300 0.032 0.000 1.072 144 D CA -0.268 53.753 54.000 0.036 0.000 0.850 144 D CB -0.799 40.027 40.800 0.044 0.000 0.922 144 D HN 0.052 nan 8.370 nan 0.000 0.516 145 c N 2.678 121.295 118.600 0.027 0.000 2.662 145 c HA 0.146 4.716 4.570 -0.000 0.000 0.420 145 c C -0.255 173.849 174.090 0.023 0.000 1.314 145 c CA -0.986 55.356 56.329 0.022 0.000 1.963 145 c CB 1.095 43.614 42.510 0.014 0.000 2.686 145 c HN 0.268 nan 8.230 nan 0.000 0.609 146 P HA -0.031 nan 4.420 nan 0.000 0.221 146 P C 0.449 177.763 177.300 0.023 0.000 1.150 146 P CA 1.429 64.542 63.100 0.022 0.000 0.800 146 P CB -0.070 31.642 31.700 0.020 0.000 0.787 147 T N -5.905 108.665 114.554 0.026 0.000 2.916 147 T HA 0.465 4.815 4.350 -0.000 0.000 0.292 147 T C -2.378 172.345 174.700 0.038 0.000 1.055 147 T CA -2.257 59.862 62.100 0.032 0.000 1.009 147 T CB 2.019 70.909 68.868 0.035 0.000 1.118 147 T HN -0.338 nan 8.240 nan 0.000 0.497 148 P HA -0.055 nan 4.420 nan 0.000 0.216 148 P C 1.421 178.761 177.300 0.067 0.000 1.150 148 P CA 1.157 64.292 63.100 0.058 0.000 0.843 148 P CB -0.005 31.734 31.700 0.066 0.000 0.787 149 M N -2.631 117.010 119.600 0.069 0.000 2.556 149 M HA 0.242 4.722 4.480 -0.000 0.000 0.245 149 M C 1.391 177.708 176.300 0.027 0.000 1.128 149 M CA 0.832 56.170 55.300 0.063 0.000 1.069 149 M CB -0.831 31.816 32.600 0.078 0.000 1.469 149 M HN 0.098 nan 8.290 nan 0.000 0.494 150 G N 0.103 108.916 108.800 0.022 0.000 1.674 150 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.192 150 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.192 150 G C 0.320 175.224 174.900 0.007 0.000 1.551 150 G CA 0.303 45.403 45.100 0.001 0.000 1.320 150 G HN 0.324 nan 8.290 nan 0.000 0.432 151 V N -1.190 118.726 119.914 0.003 0.000 3.572 151 V HA 0.538 4.658 4.120 -0.000 0.000 0.260 151 V C 0.837 176.942 176.094 0.019 0.000 1.324 151 V CA 1.289 63.595 62.300 0.009 0.000 1.068 151 V CB 0.104 31.928 31.823 0.001 0.000 0.837 151 V HN 0.389 nan 8.190 nan 0.000 0.450 152 K N 1.570 121.984 120.400 0.022 0.000 2.237 152 K HA 0.567 4.887 4.320 -0.000 0.000 0.270 152 K C 0.666 177.298 176.600 0.053 0.000 1.015 152 K CA 0.997 57.305 56.287 0.036 0.000 0.949 152 K CB 0.821 33.342 32.500 0.035 0.000 0.976 152 K HN 0.795 nan 8.250 nan 0.000 0.472 153 G N 1.687 110.523 108.800 0.061 0.000 2.660 153 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.215 153 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.215 153 G C -0.748 174.183 174.900 0.051 0.000 1.345 153 G CA -0.848 44.296 45.100 0.074 0.000 0.877 153 G HN 0.616 nan 8.290 nan 0.000 0.549 154 N N 0.111 118.837 118.700 0.045 0.000 2.405 154 N HA 0.331 5.071 4.740 -0.000 0.000 0.269 154 N C 1.431 176.954 175.510 0.022 0.000 1.249 154 N CA -0.386 52.679 53.050 0.025 0.000 0.974 154 N CB 0.581 39.073 38.487 0.009 0.000 1.204 154 N HN 0.487 nan 8.380 nan 0.000 0.565 155 K N 0.887 121.295 120.400 0.014 0.000 2.097 155 K HA 0.030 4.350 4.320 -0.000 0.000 0.205 155 K C 0.019 176.626 176.600 0.012 0.000 1.050 155 K CA 1.205 57.501 56.287 0.014 0.000 0.938 155 K CB 0.042 32.548 32.500 0.010 0.000 0.718 155 K HN 0.584 nan 8.250 nan 0.000 0.442 156 E N 0.694 120.896 120.200 0.002 0.000 2.195 156 E HA 0.218 4.568 4.350 -0.000 0.000 0.271 156 E C -0.761 175.828 176.600 -0.017 0.000 0.923 156 E CA -0.854 55.543 56.400 -0.004 0.000 0.790 156 E CB 1.561 31.253 29.700 -0.013 0.000 1.155 156 E HN -0.188 nan 8.360 nan 0.000 0.402 157 L N 3.247 124.460 121.223 -0.015 0.000 2.464 157 L HA 0.239 4.579 4.340 -0.000 0.000 0.264 157 L C -1.923 174.874 176.870 -0.122 0.000 1.199 157 L CA -1.797 53.014 54.840 -0.048 0.000 0.818 157 L CB -0.546 41.520 42.059 0.012 0.000 1.102 157 L HN 0.419 nan 8.230 nan 0.000 0.473 158 P HA -0.002 nan 4.420 nan 0.000 0.271 158 P C -0.710 176.487 177.300 -0.170 0.000 1.216 158 P CA -0.511 62.425 63.100 -0.274 0.000 0.776 158 P CB 0.321 31.710 31.700 -0.518 0.000 0.881 159 D N 1.898 122.230 120.400 -0.113 0.000 2.661 159 D HA -0.096 4.544 4.640 -0.000 0.000 0.244 159 D C 1.350 177.621 176.300 -0.049 0.000 1.196 159 D CA 0.593 54.554 54.000 -0.065 0.000 0.881 159 D CB 0.484 41.253 40.800 -0.052 0.000 1.141 159 D HN 0.303 nan 8.370 nan 0.000 0.530 160 S N 4.102 119.788 115.700 -0.024 0.000 2.383 160 S HA -0.303 4.167 4.470 -0.000 0.000 0.229 160 S C 1.808 176.418 174.600 0.017 0.000 1.030 160 S CA 1.478 59.684 58.200 0.009 0.000 1.002 160 S CB -0.276 62.933 63.200 0.015 0.000 0.829 160 S HN 0.672 nan 8.310 nan 0.000 0.467 161 K N 1.113 121.514 120.400 0.003 0.000 2.152 161 K HA -0.171 4.149 4.320 -0.000 0.000 0.206 161 K C 2.088 178.689 176.600 0.003 0.000 1.048 161 K CA 1.695 57.985 56.287 0.004 0.000 0.933 161 K CB -0.213 32.285 32.500 -0.004 0.000 0.721 161 K HN 0.356 nan 8.250 nan 0.000 0.447 162 E N 0.241 120.435 120.200 -0.010 0.000 2.046 162 E HA -0.081 4.268 4.350 -0.000 0.000 0.190 162 E C 1.876 178.476 176.600 -0.000 0.000 0.982 162 E CA 1.052 57.443 56.400 -0.015 0.000 0.800 162 E CB -0.040 29.637 29.700 -0.038 0.000 0.756 162 E HN 0.128 nan 8.360 nan 0.000 0.449 163 V N 1.324 121.245 119.914 0.012 0.000 2.287 163 V HA -0.272 3.848 4.120 -0.000 0.000 0.248 163 V C 2.413 178.542 176.094 0.060 0.000 1.053 163 V CA 1.719 64.056 62.300 0.062 0.000 1.027 163 V CB -0.567 31.330 31.823 0.124 0.000 0.646 163 V HN 0.367 nan 8.190 nan 0.000 0.447 164 L N -0.114 121.143 121.223 0.057 0.000 1.970 164 L HA -0.247 4.093 4.340 -0.000 0.000 0.212 164 L C 2.656 179.547 176.870 0.035 0.000 1.071 164 L CA 2.343 57.218 54.840 0.058 0.000 0.751 164 L CB -0.478 41.613 42.059 0.053 0.000 0.889 164 L HN 0.448 nan 8.230 nan 0.000 0.432 165 E N -0.417 119.796 120.200 0.022 0.000 2.072 165 E HA -0.241 4.109 4.350 -0.000 0.000 0.191 165 E C 2.189 178.794 176.600 0.008 0.000 0.985 165 E CA 1.256 57.663 56.400 0.012 0.000 0.801 165 E CB 0.062 29.765 29.700 0.004 0.000 0.750 165 E HN 0.476 nan 8.360 nan 0.000 0.452 166 K N 0.168 120.571 120.400 0.006 0.000 2.062 166 K HA -0.087 4.233 4.320 -0.000 0.000 0.205 166 K C 1.980 178.580 176.600 0.001 0.000 1.051 166 K CA 1.548 57.835 56.287 -0.000 0.000 0.941 166 K CB 0.309 32.805 32.500 -0.006 0.000 0.719 166 K HN 0.134 nan 8.250 nan 0.000 0.440 167 V N -2.851 117.068 119.914 0.008 0.000 3.398 167 V HA 0.207 4.327 4.120 -0.000 0.000 0.298 167 V C 1.034 177.126 176.094 -0.003 0.000 1.496 167 V CA -0.075 62.225 62.300 0.000 0.000 1.044 167 V CB -0.029 31.795 31.823 0.001 0.000 0.880 167 V HN 0.073 nan 8.190 nan 0.000 0.443 168 L N -0.192 121.037 121.223 0.010 0.000 2.526 168 L HA 0.432 4.772 4.340 -0.000 0.000 0.210 168 L C 0.933 177.819 176.870 0.026 0.000 1.048 168 L CA 0.131 54.978 54.840 0.013 0.000 0.852 168 L CB 0.188 42.266 42.059 0.031 0.000 1.128 168 L HN 0.178 nan 8.230 nan 0.000 0.482 169 L N 1.540 122.780 121.223 0.027 0.000 2.485 169 L HA 0.052 4.392 4.340 -0.000 0.000 0.275 169 L C 0.772 177.657 176.870 0.025 0.000 1.207 169 L CA 0.106 54.963 54.840 0.029 0.000 0.855 169 L CB 0.249 42.320 42.059 0.020 0.000 1.114 169 L HN 0.203 nan 8.230 nan 0.000 0.485 170 R N 2.727 123.249 120.500 0.036 0.000 2.401 170 R HA 0.076 4.416 4.340 -0.000 0.000 0.299 170 R C 0.719 177.039 176.300 0.033 0.000 1.064 170 R CA -0.390 55.735 56.100 0.042 0.000 1.000 170 R CB 0.625 30.971 30.300 0.077 0.000 0.973 170 R HN 0.595 nan 8.270 nan 0.000 0.438 171 R N 2.829 123.344 120.500 0.024 0.000 2.062 171 R HA 0.057 4.397 4.340 -0.000 0.000 0.218 171 R C 0.307 176.629 176.300 0.036 0.000 1.161 171 R CA 0.838 56.952 56.100 0.022 0.000 0.994 171 R CB -0.307 30.000 30.300 0.010 0.000 0.888 171 R HN 0.648 nan 8.270 nan 0.000 0.442 172 E N 0.284 120.506 120.200 0.037 0.000 2.238 172 E HA 0.196 4.545 4.350 -0.000 0.000 0.267 172 E C -1.401 175.251 176.600 0.087 0.000 0.887 172 E CA -0.766 55.670 56.400 0.061 0.000 0.769 172 E CB 1.483 31.203 29.700 0.034 0.000 1.187 172 E HN -0.013 nan 8.360 nan 0.000 0.416 173 F N 5.109 125.052 119.950 -0.011 0.000 2.571 173 F HA 0.179 4.705 4.527 -0.000 0.000 0.390 173 F C -0.517 175.271 175.800 -0.020 0.000 1.043 173 F CA 0.130 58.121 58.000 -0.015 0.000 1.164 173 F CB 0.259 39.245 39.000 -0.023 0.000 1.049 173 F HN 0.362 nan 8.300 nan 0.000 0.552 174 I N 9.453 129.650 120.570 -0.622 0.000 2.304 174 I HA 0.248 4.418 4.170 -0.000 0.000 0.291 174 I C -1.994 173.549 176.117 -0.957 0.000 1.018 174 I CA -2.169 58.789 61.300 -0.570 0.000 1.260 174 I CB 0.970 38.785 38.000 -0.308 0.000 1.390 174 I HN 0.441 nan 8.210 nan 0.000 0.475 175 P HA 0.053 nan 4.420 nan 0.000 0.275 175 P C -0.830 176.286 177.300 -0.308 0.000 1.228 175 P CA -0.319 62.462 63.100 -0.531 0.000 0.786 175 P CB 0.764 32.369 31.700 -0.158 0.000 0.927 176 D N 3.477 123.748 120.400 -0.214 0.000 2.401 176 D HA 0.025 4.665 4.640 -0.000 0.000 0.254 176 D C -1.178 175.027 176.300 -0.158 0.000 1.192 176 D CA -1.792 52.090 54.000 -0.197 0.000 0.885 176 D CB 0.363 41.050 40.800 -0.188 0.000 1.147 176 D HN 0.182 nan 8.370 nan 0.000 0.478 177 P HA -0.123 nan 4.420 nan 0.000 0.223 177 P C 0.720 177.944 177.300 -0.126 0.000 1.151 177 P CA 0.900 63.922 63.100 -0.130 0.000 0.787 177 P CB 0.283 31.907 31.700 -0.127 0.000 0.788 178 Q N -0.779 118.914 119.800 -0.177 0.000 2.472 178 Q HA 0.165 4.505 4.340 -0.000 0.000 0.208 178 Q C 1.134 177.111 176.000 -0.038 0.000 0.958 178 Q CA 0.603 56.307 55.803 -0.165 0.000 0.932 178 Q CB -0.333 28.197 28.738 -0.347 0.000 1.007 178 Q HN 0.275 nan 8.270 nan 0.000 0.508 179 G N 0.985 109.757 108.800 -0.048 0.000 2.137 179 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.237 179 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.237 179 G C -0.023 174.872 174.900 -0.007 0.000 1.002 179 G CA 0.159 45.255 45.100 -0.006 0.000 0.702 179 G HN 0.276 nan 8.290 nan 0.000 0.515 180 S N 0.859 116.538 115.700 -0.035 0.000 2.558 180 S HA 0.389 4.859 4.470 -0.000 0.000 0.288 180 S C 0.792 175.408 174.600 0.027 0.000 1.318 180 S CA 0.665 58.806 58.200 -0.099 0.000 1.056 180 S CB 0.697 63.754 63.200 -0.238 0.000 0.853 180 S HN 1.019 nan 8.310 nan 0.000 0.505 181 N N 1.270 120.040 118.700 0.116 0.000 2.815 181 N HA 0.398 5.138 4.740 -0.000 0.000 0.315 181 N C 0.382 176.031 175.510 0.231 0.000 1.320 181 N CA -0.933 52.220 53.050 0.171 0.000 0.846 181 N CB -0.062 38.528 38.487 0.171 0.000 1.344 181 N HN 0.250 nan 8.380 nan 0.000 0.593 182 M N -0.341 119.360 119.600 0.168 0.000 2.419 182 M HA 0.144 4.624 4.480 -0.000 0.000 0.264 182 M C 1.454 177.908 176.300 0.257 0.000 1.082 182 M CA 0.890 56.205 55.300 0.025 0.000 1.119 182 M CB -1.069 31.394 32.600 -0.229 0.000 1.398 182 M HN 0.513 nan 8.290 nan 0.000 0.453 183 M N -0.907 118.961 119.600 0.447 0.000 2.108 183 M HA -0.190 4.290 4.480 -0.000 0.000 0.261 183 M C 2.276 179.051 176.300 0.790 0.000 1.066 183 M CA 1.590 57.273 55.300 0.638 0.000 1.107 183 M CB -1.393 31.503 32.600 0.494 0.000 1.356 183 M HN 0.231 nan 8.290 nan 0.000 0.406 184 F N 1.093 121.358 119.950 0.526 0.000 2.084 184 F HA -0.101 4.425 4.527 -0.000 0.000 0.296 184 F C 2.359 178.324 175.800 0.275 0.000 1.111 184 F CA 1.794 59.982 58.000 0.313 0.000 1.224 184 F CB -0.470 38.570 39.000 0.067 0.000 0.991 184 F HN 0.109 nan 8.300 nan 0.000 0.471 185 A N -0.124 122.787 122.820 0.150 0.000 1.902 185 A HA -0.165 4.155 4.320 -0.000 0.000 0.217 185 A C 1.999 179.505 177.584 -0.130 0.000 1.181 185 A CA 1.750 53.751 52.037 -0.059 0.000 0.623 185 A CB -1.468 17.456 19.000 -0.126 0.000 0.818 185 A HN 0.443 nan 8.150 nan 0.000 0.443 186 F N -1.979 118.084 119.950 0.189 0.000 2.456 186 F HA 0.081 4.607 4.527 -0.000 0.000 0.298 186 F C 1.817 177.722 175.800 0.175 0.000 1.104 186 F CA 0.255 58.388 58.000 0.223 0.000 1.435 186 F CB -0.650 38.540 39.000 0.317 0.000 1.078 186 F HN 0.336 nan 8.300 nan 0.000 0.546 187 F N 0.595 120.628 119.950 0.138 0.000 2.186 187 F HA -0.100 4.427 4.527 -0.000 0.000 0.299 187 F C 2.324 178.050 175.800 -0.124 0.000 1.090 187 F CA 1.191 59.017 58.000 -0.291 0.000 1.307 187 F CB -0.329 38.622 39.000 -0.083 0.000 1.019 187 F HN -0.073 nan 8.300 nan 0.000 0.489 188 A N -0.289 122.604 122.820 0.123 0.000 1.898 188 A HA -0.244 4.076 4.320 -0.000 0.000 0.216 188 A C 2.193 179.759 177.584 -0.030 0.000 1.181 188 A CA 1.767 53.910 52.037 0.177 0.000 0.620 188 A CB -0.967 18.146 19.000 0.189 0.000 0.819 188 A HN 0.561 nan 8.150 nan 0.000 0.442 189 Q N -1.348 118.412 119.800 -0.067 0.000 2.046 189 Q HA -0.232 4.108 4.340 -0.000 0.000 0.200 189 Q C 2.179 177.968 176.000 -0.353 0.000 0.975 189 Q CA 1.550 57.216 55.803 -0.228 0.000 0.836 189 Q CB -0.361 28.271 28.738 -0.176 0.000 0.896 189 Q HN 0.865 nan 8.270 nan 0.000 0.428 190 H N -0.327 118.533 119.070 -0.351 0.000 2.293 190 H HA -0.178 4.378 4.556 -0.000 0.000 0.300 190 H C 1.964 177.136 175.328 -0.259 0.000 1.082 190 H CA 1.866 57.688 56.048 -0.376 0.000 1.308 190 H CB -0.407 29.121 29.762 -0.389 0.000 1.375 190 H HN 0.362 nan 8.280 nan 0.000 0.495 191 F N 2.127 121.772 119.950 -0.509 0.000 2.075 191 F HA -0.213 4.314 4.527 -0.000 0.000 0.297 191 F C 2.792 178.046 175.800 -0.911 0.000 1.113 191 F CA 2.650 60.246 58.000 -0.673 0.000 1.218 191 F CB -0.942 37.631 39.000 -0.712 0.000 0.984 191 F HN 0.272 nan 8.300 nan 0.000 0.472 192 T N -2.798 111.089 114.554 -1.111 0.000 2.915 192 T HA -0.185 4.165 4.350 -0.000 0.000 0.269 192 T C 1.474 175.239 174.700 -1.558 0.000 1.071 192 T CA 1.599 62.589 62.100 -1.851 0.000 1.132 192 T CB -0.918 67.177 68.868 -1.288 0.000 0.878 192 T HN 0.387 nan 8.240 nan 0.000 0.479 193 H N 1.827 120.341 119.070 -0.925 0.000 2.556 193 H HA 0.130 4.686 4.556 -0.000 0.000 0.268 193 H C 2.386 177.325 175.328 -0.649 0.000 0.996 193 H CA 0.807 56.524 56.048 -0.550 0.000 1.157 193 H CB -0.328 29.374 29.762 -0.100 0.000 1.355 193 H HN 0.764 nan 8.280 nan 0.000 0.597 194 Q N -0.033 119.198 119.800 -0.948 0.000 2.245 194 Q HA -0.078 4.262 4.340 -0.000 0.000 0.201 194 Q C 0.860 176.494 176.000 -0.610 0.000 0.955 194 Q CA 1.202 56.504 55.803 -0.834 0.000 0.870 194 Q CB -0.182 27.874 28.738 -1.137 0.000 0.945 194 Q HN 0.591 nan 8.270 nan 0.000 0.461 195 F N -2.814 116.741 119.950 -0.658 0.000 2.724 195 F HA 0.468 4.995 4.527 -0.000 0.000 0.306 195 F C -0.139 175.452 175.800 -0.347 0.000 1.100 195 F CA -1.100 56.575 58.000 -0.542 0.000 1.255 195 F CB 0.480 39.134 39.000 -0.576 0.000 1.072 195 F HN -0.216 nan 8.300 nan 0.000 0.589 196 F N 3.748 123.487 119.950 -0.352 0.000 2.303 196 F HA 0.483 5.010 4.527 -0.000 0.000 0.368 196 F C -0.180 175.432 175.800 -0.314 0.000 1.105 196 F CA -1.697 56.151 58.000 -0.254 0.000 1.153 196 F CB 0.718 39.429 39.000 -0.481 0.000 1.362 196 F HN -0.037 nan 8.300 nan 0.000 0.511 197 K N 1.930 122.338 120.400 0.014 0.000 2.827 197 K HA 0.230 4.549 4.320 -0.000 0.000 0.186 197 K C -0.422 176.109 176.600 -0.116 0.000 1.093 197 K CA -0.359 55.861 56.287 -0.111 0.000 0.993 197 K CB 1.205 33.602 32.500 -0.173 0.000 1.199 197 K HN 0.273 nan 8.250 nan 0.000 0.598 198 T N 1.581 116.071 114.554 -0.106 0.000 2.853 198 T HA -0.035 4.314 4.350 -0.000 0.000 0.298 198 T C 0.055 174.491 174.700 -0.441 0.000 0.978 198 T CA 0.263 62.245 62.100 -0.195 0.000 1.152 198 T CB 0.356 69.104 68.868 -0.200 0.000 0.914 198 T HN 0.269 nan 8.240 nan 0.000 0.539 199 D N 1.967 122.195 120.400 -0.286 0.000 2.402 199 D HA 0.022 4.662 4.640 -0.000 0.000 0.235 199 D C 1.094 177.259 176.300 -0.226 0.000 1.226 199 D CA -0.250 53.610 54.000 -0.233 0.000 0.918 199 D CB 0.271 40.978 40.800 -0.155 0.000 1.043 199 D HN 0.543 nan 8.370 nan 0.000 0.506 200 H N 2.630 121.686 119.070 -0.024 0.000 2.524 200 H HA -0.012 4.544 4.556 -0.000 0.000 0.282 200 H C 1.380 176.677 175.328 -0.051 0.000 1.016 200 H CA 0.653 56.689 56.048 -0.020 0.000 1.270 200 H CB 0.560 30.314 29.762 -0.013 0.000 1.394 200 H HN 0.439 nan 8.280 nan 0.000 0.568 201 K N 0.579 120.979 120.400 0.000 0.000 2.148 201 K HA -0.054 4.266 4.320 -0.000 0.000 0.204 201 K C 2.220 178.736 176.600 -0.140 0.000 1.050 201 K CA 0.882 57.134 56.287 -0.059 0.000 0.942 201 K CB 0.267 32.719 32.500 -0.079 0.000 0.724 201 K HN 0.227 nan 8.250 nan 0.000 0.446 202 R N -0.535 119.819 120.500 -0.243 0.000 2.074 202 R HA 0.146 4.486 4.340 -0.000 0.000 0.218 202 R C 0.729 176.844 176.300 -0.309 0.000 1.137 202 R CA 0.703 56.490 56.100 -0.522 0.000 0.998 202 R CB 0.518 30.151 30.300 -1.112 0.000 0.895 202 R HN 0.225 nan 8.270 nan 0.000 0.442 203 G N -0.693 108.093 108.800 -0.025 0.000 2.352 203 G HA2 -0.041 3.919 3.960 -0.000 0.000 0.302 203 G HA3 -0.041 3.919 3.960 -0.000 0.000 0.302 203 G C -2.562 172.504 174.900 0.277 0.000 1.370 203 G CA -0.900 44.317 45.100 0.196 0.000 0.918 203 G HN -0.187 nan 8.290 nan 0.000 0.610 204 P HA -0.013 nan 4.420 nan 0.000 0.221 204 P C 1.614 179.032 177.300 0.197 0.000 1.145 204 P CA 1.708 64.901 63.100 0.154 0.000 0.795 204 P CB 0.007 31.753 31.700 0.077 0.000 0.775 205 G N -1.931 106.970 108.800 0.168 0.000 2.920 205 G HA2 0.101 4.061 3.960 -0.000 0.000 0.208 205 G HA3 0.101 4.061 3.960 -0.000 0.000 0.208 205 G C -0.010 174.767 174.900 -0.204 0.000 1.159 205 G CA -0.082 45.033 45.100 0.026 0.000 0.784 205 G HN 0.164 nan 8.290 nan 0.000 0.535 206 F N -0.777 119.162 119.950 -0.018 0.000 2.522 206 F HA 0.641 5.168 4.527 -0.000 0.000 0.324 206 F C 0.291 175.800 175.800 -0.485 0.000 1.077 206 F CA -0.811 57.021 58.000 -0.281 0.000 0.944 206 F CB 2.568 41.403 39.000 -0.276 0.000 1.175 206 F HN -0.166 nan 8.300 nan 0.000 0.468 207 T N 0.732 114.996 114.554 -0.484 0.000 2.907 207 T HA 0.449 4.799 4.350 -0.000 0.000 0.292 207 T C 0.493 174.995 174.700 -0.331 0.000 1.043 207 T CA -0.586 61.151 62.100 -0.606 0.000 1.003 207 T CB 1.368 69.595 68.868 -1.068 0.000 1.084 207 T HN 0.720 nan 8.240 nan 0.000 0.483 208 R N 1.575 121.910 120.500 -0.275 0.000 2.290 208 R HA 0.253 4.593 4.340 -0.000 0.000 0.197 208 R C 1.364 177.530 176.300 -0.223 0.000 0.913 208 R CA 0.034 56.009 56.100 -0.208 0.000 1.040 208 R CB 0.357 30.555 30.300 -0.170 0.000 0.992 208 R HN 0.607 nan 8.270 nan 0.000 0.500 209 G N 1.254 109.882 108.800 -0.286 0.000 2.821 209 G HA2 0.132 4.091 3.960 -0.000 0.000 0.289 209 G HA3 0.132 4.091 3.960 -0.000 0.000 0.289 209 G C 0.626 175.301 174.900 -0.375 0.000 0.771 209 G CA -0.305 44.624 45.100 -0.285 0.000 1.908 209 G HN 0.156 nan 8.290 nan 0.000 0.539 210 L N 1.799 122.887 121.223 -0.224 0.000 2.395 210 L HA 0.077 4.417 4.340 -0.000 0.000 0.218 210 L C 2.591 179.459 176.870 -0.003 0.000 1.130 210 L CA 0.717 55.482 54.840 -0.124 0.000 0.826 210 L CB 0.250 42.273 42.059 -0.061 0.000 0.941 210 L HN 0.541 nan 8.230 nan 0.000 0.451 211 G N -2.576 106.198 108.800 -0.043 0.000 2.920 211 G HA2 -0.110 3.850 3.960 -0.000 0.000 0.208 211 G HA3 -0.110 3.850 3.960 -0.000 0.000 0.208 211 G C 0.511 175.452 174.900 0.069 0.000 1.159 211 G CA -0.249 44.862 45.100 0.019 0.000 0.784 211 G HN 0.518 nan 8.290 nan 0.000 0.535 212 H N -0.542 118.499 119.070 -0.048 0.000 2.557 212 H HA -0.180 4.376 4.556 -0.000 0.000 0.319 212 H C 1.168 176.447 175.328 -0.081 0.000 1.102 212 H CA 1.242 57.264 56.048 -0.044 0.000 1.126 212 H CB -1.274 28.457 29.762 -0.050 0.000 1.498 212 H HN 0.761 nan 8.280 nan 0.000 0.411 213 G N -1.722 107.062 108.800 -0.026 0.000 2.399 213 G HA2 0.184 4.144 3.960 -0.000 0.000 0.256 213 G HA3 0.184 4.144 3.960 -0.000 0.000 0.256 213 G C -0.784 174.105 174.900 -0.018 0.000 1.236 213 G CA -0.283 44.748 45.100 -0.115 0.000 0.914 213 G HN 0.158 nan 8.290 nan 0.000 0.482 214 V N 2.432 122.344 119.914 -0.004 0.000 2.229 214 V HA 0.260 4.380 4.120 -0.000 0.000 0.245 214 V C 0.588 176.712 176.094 0.051 0.000 1.243 214 V CA 1.006 63.336 62.300 0.050 0.000 1.176 214 V CB 0.099 32.012 31.823 0.150 0.000 1.323 214 V HN 0.762 nan 8.190 nan 0.000 0.499 215 D N 2.964 123.377 120.400 0.022 0.000 2.398 215 D HA 0.049 4.689 4.640 -0.000 0.000 0.210 215 D C 0.929 177.298 176.300 0.115 0.000 1.094 215 D CA -0.301 53.733 54.000 0.057 0.000 0.839 215 D CB 0.011 40.831 40.800 0.035 0.000 0.963 215 D HN 0.349 nan 8.370 nan 0.000 0.506 216 L N 0.638 121.913 121.223 0.085 0.000 3.843 216 L HA -0.335 4.005 4.340 -0.000 0.000 0.411 216 L C 0.765 177.787 176.870 0.253 0.000 1.205 216 L CA 0.627 55.594 54.840 0.211 0.000 0.945 216 L CB -2.640 39.537 42.059 0.198 0.000 1.929 216 L HN 0.294 nan 8.230 nan 0.000 0.934 217 N N 0.092 118.866 118.700 0.124 0.000 2.443 217 N HA -0.199 4.540 4.740 -0.000 0.000 0.184 217 N C 1.730 177.246 175.510 0.010 0.000 1.037 217 N CA 1.618 54.707 53.050 0.064 0.000 0.896 217 N CB -0.217 38.252 38.487 -0.030 0.000 0.959 217 N HN 0.737 nan 8.380 nan 0.000 0.442 218 H N -0.804 118.108 119.070 -0.264 0.000 2.555 218 H HA 0.149 4.705 4.556 -0.000 0.000 0.269 218 H C 1.344 176.518 175.328 -0.256 0.000 0.988 218 H CA 0.549 56.371 56.048 -0.376 0.000 1.178 218 H CB -0.298 29.200 29.762 -0.439 0.000 1.373 218 H HN 0.427 nan 8.280 nan 0.000 0.588 219 I N -1.008 119.343 120.570 -0.365 0.000 3.194 219 I HA -0.048 4.122 4.170 -0.000 0.000 0.271 219 I C 1.251 177.131 176.117 -0.395 0.000 1.150 219 I CA 0.152 61.147 61.300 -0.510 0.000 1.440 219 I CB 0.061 37.535 38.000 -0.877 0.000 1.276 219 I HN -0.031 nan 8.210 nan 0.000 0.457 220 Y N 1.448 121.736 120.300 -0.020 0.000 2.500 220 Y HA 0.441 4.991 4.550 -0.000 0.000 0.270 220 Y C 1.159 177.069 175.900 0.017 0.000 1.134 220 Y CA 0.097 58.223 58.100 0.044 0.000 1.293 220 Y CB -0.136 38.398 38.460 0.123 0.000 1.063 220 Y HN 0.163 nan 8.280 nan 0.000 0.534 221 G N 0.455 109.305 108.800 0.084 0.000 2.712 221 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.686 221 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.686 221 G C 0.186 175.091 174.900 0.008 0.000 1.181 221 G CA -0.300 44.808 45.100 0.013 0.000 0.762 221 G HN 0.020 nan 8.290 nan 0.000 0.641 222 E N -0.405 119.770 120.200 -0.042 0.000 2.072 222 E HA 0.043 4.393 4.350 -0.000 0.000 0.191 222 E C 2.018 178.593 176.600 -0.042 0.000 0.985 222 E CA 2.018 58.386 56.400 -0.053 0.000 0.801 222 E CB -0.167 29.483 29.700 -0.083 0.000 0.750 222 E HN 1.158 nan 8.360 nan 0.000 0.452 223 T N -2.552 111.972 114.554 -0.050 0.000 2.940 223 T HA 0.312 4.662 4.350 -0.000 0.000 0.288 223 T C 1.400 176.043 174.700 -0.095 0.000 1.033 223 T CA -0.753 61.309 62.100 -0.063 0.000 1.033 223 T CB 1.157 69.987 68.868 -0.064 0.000 1.079 223 T HN 0.008 nan 8.240 nan 0.000 0.496 224 L N 0.318 121.458 121.223 -0.138 0.000 2.083 224 L HA -0.087 4.253 4.340 -0.000 0.000 0.209 224 L C 2.144 178.752 176.870 -0.436 0.000 1.083 224 L CA 2.101 56.766 54.840 -0.292 0.000 0.752 224 L CB -0.510 41.387 42.059 -0.271 0.000 0.899 224 L HN 0.903 nan 8.230 nan 0.000 0.433 225 D N -0.722 119.540 120.400 -0.230 0.000 2.144 225 D HA -0.227 4.413 4.640 -0.000 0.000 0.200 225 D C 2.333 178.595 176.300 -0.063 0.000 0.978 225 D CA 0.902 54.824 54.000 -0.129 0.000 0.833 225 D CB 0.121 40.890 40.800 -0.052 0.000 0.961 225 D HN 0.083 nan 8.370 nan 0.000 0.470 226 R N 0.131 120.594 120.500 -0.063 0.000 2.092 226 R HA -0.118 4.222 4.340 -0.000 0.000 0.231 226 R C 2.257 178.549 176.300 -0.012 0.000 1.119 226 R CA 1.096 57.180 56.100 -0.025 0.000 0.970 226 R CB -0.091 30.190 30.300 -0.032 0.000 0.864 226 R HN 0.257 nan 8.270 nan 0.000 0.440 227 Q N -0.309 119.461 119.800 -0.050 0.000 2.096 227 Q HA -0.223 4.117 4.340 -0.000 0.000 0.204 227 Q C 1.519 177.520 176.000 0.001 0.000 0.982 227 Q CA 1.902 57.688 55.803 -0.028 0.000 0.850 227 Q CB -0.079 28.619 28.738 -0.067 0.000 0.901 227 Q HN 0.667 nan 8.270 nan 0.000 0.422 228 H N -0.598 118.461 119.070 -0.018 0.000 2.428 228 H HA -0.029 4.527 4.556 -0.000 0.000 0.296 228 H C 1.950 177.349 175.328 0.117 0.000 1.062 228 H CA 0.839 56.940 56.048 0.089 0.000 1.350 228 H CB 0.315 30.215 29.762 0.230 0.000 1.403 228 H HN 0.177 nan 8.280 nan 0.000 0.533 229 K N 0.588 121.096 120.400 0.180 0.000 2.211 229 K HA -0.067 4.253 4.320 -0.000 0.000 0.203 229 K C 1.647 178.294 176.600 0.078 0.000 1.050 229 K CA 0.767 57.127 56.287 0.122 0.000 0.945 229 K CB 0.196 32.742 32.500 0.077 0.000 0.732 229 K HN 0.265 nan 8.250 nan 0.000 0.451 230 L N 0.170 121.418 121.223 0.042 0.000 2.529 230 L HA 0.054 4.394 4.340 -0.000 0.000 0.223 230 L C 0.600 177.456 176.870 -0.024 0.000 1.113 230 L CA 0.047 54.901 54.840 0.023 0.000 0.861 230 L CB 0.125 42.203 42.059 0.032 0.000 1.012 230 L HN -0.002 nan 8.230 nan 0.000 0.461 231 R N 0.056 120.467 120.500 -0.148 0.000 2.357 231 R HA 0.126 4.466 4.340 -0.000 0.000 0.296 231 R C 0.806 176.945 176.300 -0.268 0.000 1.052 231 R CA -0.445 55.434 56.100 -0.369 0.000 0.988 231 R CB 1.550 31.260 30.300 -0.983 0.000 1.025 231 R HN -0.072 nan 8.270 nan 0.000 0.469 232 L N 3.227 124.373 121.223 -0.127 0.000 2.109 232 L HA 0.007 4.347 4.340 -0.000 0.000 0.207 232 L C 0.312 177.255 176.870 0.122 0.000 1.086 232 L CA 1.635 56.495 54.840 0.033 0.000 0.760 232 L CB -0.219 41.904 42.059 0.107 0.000 0.910 232 L HN 0.862 nan 8.230 nan 0.000 0.437 233 F N -1.542 118.422 119.950 0.022 0.000 2.884 233 F HA -0.290 4.237 4.527 -0.000 0.000 0.294 233 F C 0.566 176.388 175.800 0.036 0.000 0.723 233 F CA 0.720 58.717 58.000 -0.005 0.000 1.294 233 F CB -1.805 37.160 39.000 -0.058 0.000 1.551 233 F HN 0.093 nan 8.300 nan 0.000 0.363 234 K N 0.706 121.210 120.400 0.172 0.000 2.292 234 K HA 0.347 4.667 4.320 -0.000 0.000 0.257 234 K C 0.137 176.830 176.600 0.155 0.000 0.940 234 K CA -0.708 55.671 56.287 0.153 0.000 0.811 234 K CB 1.327 33.908 32.500 0.136 0.000 1.120 234 K HN -0.005 nan 8.250 nan 0.000 0.428 235 D N 1.607 122.099 120.400 0.153 0.000 2.882 235 D HA -0.212 4.428 4.640 -0.000 0.000 0.229 235 D C 0.828 177.239 176.300 0.184 0.000 1.167 235 D CA 1.797 55.892 54.000 0.159 0.000 0.759 235 D CB -1.242 39.640 40.800 0.137 0.000 1.088 235 D HN 1.094 nan 8.370 nan 0.000 0.425 236 G N -1.076 107.850 108.800 0.210 0.000 2.179 236 G HA2 -0.390 3.570 3.960 -0.000 0.000 0.260 236 G HA3 -0.390 3.570 3.960 -0.000 0.000 0.260 236 G C 0.427 175.596 174.900 0.449 0.000 0.977 236 G CA 0.790 46.072 45.100 0.303 0.000 0.641 236 G HN 0.529 nan 8.290 nan 0.000 0.533 237 K N -0.481 120.111 120.400 0.320 0.000 2.107 237 K HA 0.629 4.949 4.320 -0.000 0.000 0.251 237 K C 0.089 176.873 176.600 0.308 0.000 1.012 237 K CA -0.800 55.717 56.287 0.382 0.000 0.920 237 K CB 0.709 33.372 32.500 0.271 0.000 1.033 237 K HN 0.029 nan 8.250 nan 0.000 0.478 238 L N 1.921 123.335 121.223 0.317 0.000 2.357 238 L HA 0.249 4.589 4.340 -0.000 0.000 0.273 238 L C 0.266 177.275 176.870 0.231 0.000 1.080 238 L CA -0.060 54.886 54.840 0.177 0.000 0.803 238 L CB 0.874 42.998 42.059 0.108 0.000 1.174 238 L HN 0.413 nan 8.230 nan 0.000 0.443 239 K N 2.289 122.781 120.400 0.154 0.000 2.469 239 K HA 0.259 4.579 4.320 -0.000 0.000 0.274 239 K C -1.134 175.613 176.600 0.244 0.000 0.983 239 K CA 0.483 56.861 56.287 0.152 0.000 0.974 239 K CB 0.377 32.915 32.500 0.064 0.000 0.913 239 K HN 0.598 nan 8.250 nan 0.000 0.493 240 Y N -1.810 118.508 120.300 0.030 0.000 2.638 240 Y HA 0.280 4.830 4.550 -0.000 0.000 0.335 240 Y C -1.258 174.659 175.900 0.028 0.000 1.155 240 Y CA -1.404 56.705 58.100 0.014 0.000 1.046 240 Y CB 1.027 39.487 38.460 -0.001 0.000 1.303 240 Y HN 0.573 nan 8.280 nan 0.000 0.460 241 Q N 0.761 120.619 119.800 0.096 0.000 2.416 241 Q HA 0.845 5.185 4.340 -0.000 0.000 0.279 241 Q C -1.862 174.250 176.000 0.188 0.000 1.101 241 Q CA -1.363 54.466 55.803 0.044 0.000 0.830 241 Q CB 3.006 31.791 28.738 0.080 0.000 1.402 241 Q HN 0.583 nan 8.270 nan 0.000 0.445 242 V N 2.303 122.300 119.914 0.138 0.000 2.378 242 V HA 0.444 4.564 4.120 -0.000 0.000 0.288 242 V C -0.635 175.553 176.094 0.156 0.000 1.016 242 V CA -0.498 61.903 62.300 0.168 0.000 0.840 242 V CB 1.108 33.013 31.823 0.136 0.000 0.994 242 V HN 0.669 nan 8.190 nan 0.000 0.431 243 I N 3.997 124.705 120.570 0.229 0.000 2.411 243 I HA 0.565 4.735 4.170 -0.000 0.000 0.284 243 I C 1.003 177.224 176.117 0.174 0.000 1.012 243 I CA -0.365 61.045 61.300 0.182 0.000 1.119 243 I CB 1.662 39.761 38.000 0.166 0.000 1.261 243 I HN 0.838 nan 8.210 nan 0.000 0.448 244 G N 4.327 113.188 108.800 0.102 0.000 2.295 244 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.287 244 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.287 244 G C 0.958 175.902 174.900 0.074 0.000 1.055 244 G CA 0.454 45.602 45.100 0.080 0.000 0.922 244 G HN 1.450 nan 8.290 nan 0.000 0.503 245 G N -1.706 107.134 108.800 0.067 0.000 2.168 245 G HA2 -0.236 3.723 3.960 -0.000 0.000 0.263 245 G HA3 -0.236 3.723 3.960 -0.000 0.000 0.263 245 G C 0.078 174.996 174.900 0.029 0.000 0.977 245 G CA 1.048 46.176 45.100 0.046 0.000 0.659 245 G HN 1.019 nan 8.290 nan 0.000 0.533 246 E N -0.394 119.835 120.200 0.048 0.000 2.212 246 E HA 0.543 4.892 4.350 -0.000 0.000 0.268 246 E C -0.179 176.343 176.600 -0.131 0.000 0.902 246 E CA -0.780 55.581 56.400 -0.064 0.000 0.779 246 E CB 2.426 32.108 29.700 -0.030 0.000 1.172 246 E HN 0.081 nan 8.360 nan 0.000 0.409 247 V N 3.872 123.606 119.914 -0.301 0.000 2.461 247 V HA 0.265 4.385 4.120 -0.000 0.000 0.275 247 V C -0.738 175.051 176.094 -0.508 0.000 1.047 247 V CA -0.030 62.134 62.300 -0.227 0.000 0.955 247 V CB -0.180 31.506 31.823 -0.229 0.000 0.988 247 V HN 0.534 nan 8.190 nan 0.000 0.471 248 Y N 4.591 124.842 120.300 -0.081 0.000 2.609 248 Y HA 0.498 5.048 4.550 -0.000 0.000 0.342 248 Y C -2.312 173.418 175.900 -0.282 0.000 1.058 248 Y CA -2.701 55.219 58.100 -0.299 0.000 1.055 248 Y CB 2.218 40.405 38.460 -0.456 0.000 1.292 248 Y HN 0.426 nan 8.280 nan 0.000 0.476 249 P HA 0.037 nan 4.420 nan 0.000 0.269 249 P C -2.512 174.755 177.300 -0.055 0.000 1.215 249 P CA -0.808 62.193 63.100 -0.164 0.000 0.780 249 P CB -0.011 31.572 31.700 -0.194 0.000 0.898 250 P HA 0.059 nan 4.420 nan 0.000 0.277 250 P C -0.381 177.035 177.300 0.193 0.000 1.276 250 P CA 0.043 63.210 63.100 0.112 0.000 0.788 250 P CB 0.065 31.809 31.700 0.074 0.000 1.114 251 T N -3.622 111.018 114.554 0.144 0.000 2.927 251 T HA 0.256 4.605 4.350 -0.000 0.000 0.281 251 T C 1.417 176.159 174.700 0.069 0.000 0.998 251 T CA -0.736 61.432 62.100 0.113 0.000 1.019 251 T CB 0.287 69.178 68.868 0.038 0.000 1.061 251 T HN 0.064 nan 8.240 nan 0.000 0.518 252 V N 1.353 121.290 119.914 0.038 0.000 2.343 252 V HA -0.123 3.997 4.120 -0.000 0.000 0.247 252 V C 2.831 178.931 176.094 0.011 0.000 1.051 252 V CA 2.094 64.413 62.300 0.033 0.000 1.036 252 V CB -0.868 30.968 31.823 0.022 0.000 0.654 252 V HN 1.033 nan 8.190 nan 0.000 0.451 253 K N 0.086 120.479 120.400 -0.012 0.000 2.152 253 K HA -0.276 4.044 4.320 -0.000 0.000 0.206 253 K C 1.794 178.394 176.600 -0.000 0.000 1.048 253 K CA 2.069 58.347 56.287 -0.015 0.000 0.933 253 K CB -0.169 32.312 32.500 -0.032 0.000 0.721 253 K HN 0.544 nan 8.250 nan 0.000 0.447 254 D N -0.966 119.441 120.400 0.011 0.000 2.327 254 D HA -0.056 4.584 4.640 -0.000 0.000 0.205 254 D C 1.438 177.753 176.300 0.025 0.000 0.989 254 D CA 1.353 55.362 54.000 0.015 0.000 0.873 254 D CB 0.346 41.156 40.800 0.017 0.000 0.955 254 D HN 0.346 nan 8.370 nan 0.000 0.515 255 T N -4.239 110.335 114.554 0.034 0.000 2.959 255 T HA 0.140 4.490 4.350 -0.000 0.000 0.254 255 T C 0.752 175.476 174.700 0.039 0.000 1.003 255 T CA 0.073 62.199 62.100 0.043 0.000 0.950 255 T CB 0.170 69.070 68.868 0.054 0.000 1.090 255 T HN -0.063 nan 8.240 nan 0.000 0.503 256 Q N 0.644 120.462 119.800 0.031 0.000 2.468 256 Q HA -0.140 4.200 4.340 -0.000 0.000 0.256 256 Q C 0.144 176.161 176.000 0.029 0.000 0.984 256 Q CA 0.855 56.673 55.803 0.025 0.000 1.110 256 Q CB -2.656 26.094 28.738 0.020 0.000 1.527 256 Q HN 0.899 nan 8.270 nan 0.000 0.535 257 V N -1.607 118.329 119.914 0.038 0.000 2.546 257 V HA 0.334 4.454 4.120 -0.000 0.000 0.284 257 V C 0.541 176.658 176.094 0.038 0.000 1.050 257 V CA -0.590 61.731 62.300 0.034 0.000 0.981 257 V CB 1.552 33.398 31.823 0.038 0.000 0.990 257 V HN 0.219 nan 8.190 nan 0.000 0.474 258 E N 6.003 126.216 120.200 0.022 0.000 2.344 258 E HA 0.344 4.694 4.350 -0.000 0.000 0.270 258 E C -0.529 176.089 176.600 0.031 0.000 1.021 258 E CA -0.138 56.276 56.400 0.023 0.000 0.887 258 E CB 0.958 30.659 29.700 0.002 0.000 0.997 258 E HN 0.644 nan 8.360 nan 0.000 0.429 259 M N 2.566 122.207 119.600 0.068 0.000 2.518 259 M HA 0.395 4.874 4.480 -0.000 0.000 0.300 259 M C -0.407 175.905 176.300 0.021 0.000 1.175 259 M CA -0.780 54.558 55.300 0.063 0.000 0.890 259 M CB 1.670 34.413 32.600 0.239 0.000 1.710 259 M HN 0.399 nan 8.290 nan 0.000 0.453 260 I N 2.908 123.409 120.570 -0.114 0.000 2.294 260 I HA 0.193 4.363 4.170 -0.000 0.000 0.295 260 I C -1.137 174.790 176.117 -0.316 0.000 1.098 260 I CA 0.010 61.229 61.300 -0.135 0.000 1.277 260 I CB -0.251 37.686 38.000 -0.106 0.000 1.434 260 I HN 0.466 nan 8.210 nan 0.000 0.498 261 Y N 6.557 126.819 120.300 -0.063 0.000 2.499 261 Y HA 0.495 5.045 4.550 -0.000 0.000 0.347 261 Y C -1.964 173.823 175.900 -0.187 0.000 0.987 261 Y CA -2.262 55.765 58.100 -0.122 0.000 1.044 261 Y CB 1.483 39.867 38.460 -0.125 0.000 1.245 261 Y HN 0.404 nan 8.280 nan 0.000 0.461 262 P HA 0.156 nan 4.420 nan 0.000 0.274 262 P C -2.240 174.979 177.300 -0.134 0.000 1.231 262 P CA -1.569 61.426 63.100 -0.175 0.000 0.790 262 P CB 0.733 32.269 31.700 -0.274 0.000 0.951 263 P HA -0.163 nan 4.420 nan 0.000 0.223 263 P C 1.203 178.484 177.300 -0.031 0.000 1.151 263 P CA 1.420 64.504 63.100 -0.027 0.000 0.787 263 P CB -0.362 31.344 31.700 0.010 0.000 0.788 264 H N -1.241 117.804 119.070 -0.042 0.000 2.555 264 H HA 0.078 4.634 4.556 -0.000 0.000 0.269 264 H C 0.592 175.891 175.328 -0.049 0.000 0.988 264 H CA -0.138 55.888 56.048 -0.037 0.000 1.178 264 H CB -0.412 29.336 29.762 -0.023 0.000 1.373 264 H HN 0.045 nan 8.280 nan 0.000 0.588 265 I N 4.909 125.215 120.570 -0.439 0.000 2.496 265 I HA 0.109 4.278 4.170 -0.000 0.000 0.285 265 I C -1.793 174.173 176.117 -0.252 0.000 1.080 265 I CA -1.999 59.083 61.300 -0.363 0.000 1.404 265 I CB 0.936 38.703 38.000 -0.389 0.000 1.403 265 I HN 0.124 nan 8.210 nan 0.000 0.539 266 P HA 0.164 nan 4.420 nan 0.000 0.274 266 P C 0.138 177.293 177.300 -0.242 0.000 1.237 266 P CA -0.252 62.739 63.100 -0.182 0.000 0.793 266 P CB 1.087 32.699 31.700 -0.147 0.000 0.977 267 E N 0.268 120.355 120.200 -0.188 0.000 2.427 267 E HA -0.107 4.243 4.350 -0.000 0.000 0.196 267 E C 1.648 178.129 176.600 -0.197 0.000 1.028 267 E CA 0.379 56.664 56.400 -0.192 0.000 0.864 267 E CB -0.168 29.458 29.700 -0.123 0.000 0.813 267 E HN 0.498 nan 8.360 nan 0.000 0.514 268 N N 0.558 119.143 118.700 -0.191 0.000 2.457 268 N HA -0.132 4.608 4.740 -0.000 0.000 0.180 268 N C 1.230 176.540 175.510 -0.333 0.000 1.050 268 N CA 0.727 53.665 53.050 -0.187 0.000 0.906 268 N CB 0.141 38.545 38.487 -0.139 0.000 0.968 268 N HN 0.245 nan 8.380 nan 0.000 0.445 269 L N -0.043 120.910 121.223 -0.450 0.000 2.808 269 L HA 0.233 4.573 4.340 -0.000 0.000 0.246 269 L C 0.193 176.539 176.870 -0.874 0.000 1.153 269 L CA -0.078 54.342 54.840 -0.700 0.000 0.956 269 L CB 0.243 42.000 42.059 -0.504 0.000 1.270 269 L HN -0.036 nan 8.230 nan 0.000 0.528 270 Q N 1.014 120.369 119.800 -0.741 0.000 2.490 270 Q HA 0.273 4.613 4.340 -0.000 0.000 0.226 270 Q C -0.753 175.063 176.000 -0.306 0.000 1.132 270 Q CA -0.183 55.094 55.803 -0.876 0.000 0.928 270 Q CB 0.379 28.725 28.738 -0.654 0.000 1.299 270 Q HN 0.223 nan 8.270 nan 0.000 0.528 271 F N 0.992 120.891 119.950 -0.085 0.000 2.443 271 F HA 0.331 4.858 4.527 -0.000 0.000 0.353 271 F C 0.748 176.644 175.800 0.160 0.000 1.101 271 F CA -0.975 57.062 58.000 0.062 0.000 1.226 271 F CB 0.860 39.915 39.000 0.090 0.000 1.140 271 F HN 0.397 nan 8.300 nan 0.000 0.557 272 A N 4.170 127.178 122.820 0.312 0.000 2.260 272 A HA 0.701 5.021 4.320 -0.000 0.000 0.314 272 A C -0.600 177.071 177.584 0.145 0.000 1.257 272 A CA -0.491 51.666 52.037 0.200 0.000 0.871 272 A CB 0.657 19.736 19.000 0.133 0.000 1.166 272 A HN 0.669 nan 8.150 nan 0.000 0.522 273 V N 0.093 120.077 119.914 0.115 0.000 3.167 273 V HA 0.873 4.993 4.120 -0.000 0.000 0.310 273 V C 1.162 177.241 176.094 -0.025 0.000 1.207 273 V CA -0.051 62.285 62.300 0.062 0.000 1.059 273 V CB 0.964 32.870 31.823 0.139 0.000 1.079 273 V HN 1.066 nan 8.190 nan 0.000 0.446 274 G N -0.561 108.191 108.800 -0.081 0.000 2.529 274 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.219 274 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.219 274 G C 0.737 175.500 174.900 -0.228 0.000 1.177 274 G CA 1.014 46.034 45.100 -0.133 0.000 0.773 274 G HN 0.738 nan 8.290 nan 0.000 0.573 275 Q N 0.630 120.158 119.800 -0.453 0.000 2.296 275 Q HA 0.168 4.508 4.340 -0.000 0.000 0.257 275 Q C 1.452 177.158 176.000 -0.489 0.000 0.942 275 Q CA -0.077 55.302 55.803 -0.708 0.000 0.939 275 Q CB 1.535 29.241 28.738 -1.720 0.000 1.198 275 Q HN 0.778 nan 8.270 nan 0.000 0.429 276 E N 2.085 122.112 120.200 -0.288 0.000 2.268 276 E HA -0.118 4.231 4.350 -0.000 0.000 0.195 276 E C 1.126 177.644 176.600 -0.138 0.000 0.995 276 E CA 0.680 56.986 56.400 -0.156 0.000 0.836 276 E CB 0.104 29.741 29.700 -0.105 0.000 0.763 276 E HN 0.289 nan 8.360 nan 0.000 0.491 277 V N 0.252 120.087 119.914 -0.131 0.000 3.623 277 V HA -0.010 4.110 4.120 -0.000 0.000 0.271 277 V C 0.639 176.826 176.094 0.155 0.000 1.248 277 V CA 0.277 62.578 62.300 0.003 0.000 1.156 277 V CB -0.563 31.314 31.823 0.092 0.000 0.870 277 V HN 0.234 nan 8.190 nan 0.000 0.453 278 F N 0.979 120.888 119.950 -0.068 0.000 2.699 278 F HA 0.214 4.741 4.527 -0.000 0.000 0.298 278 F C 2.202 177.972 175.800 -0.050 0.000 1.154 278 F CA 0.510 58.489 58.000 -0.034 0.000 1.457 278 F CB -1.147 37.863 39.000 0.016 0.000 1.106 278 F HN 0.306 nan 8.300 nan 0.000 0.585 279 G N -0.220 108.578 108.800 -0.003 0.000 2.744 279 G HA2 -0.112 3.848 3.960 -0.000 0.000 0.211 279 G HA3 -0.112 3.848 3.960 -0.000 0.000 0.211 279 G C 1.742 176.597 174.900 -0.075 0.000 1.143 279 G CA 0.059 45.086 45.100 -0.121 0.000 0.788 279 G HN 0.262 nan 8.290 nan 0.000 0.534 280 L N 0.749 121.954 121.223 -0.030 0.000 2.079 280 L HA 0.065 4.405 4.340 -0.000 0.000 0.210 280 L C 0.271 177.058 176.870 -0.139 0.000 1.081 280 L CA 1.617 56.477 54.840 0.033 0.000 0.752 280 L CB -0.526 41.585 42.059 0.088 0.000 0.896 280 L HN 0.027 nan 8.230 nan 0.000 0.433 281 V N 0.080 119.899 119.914 -0.158 0.000 2.623 281 V HA 0.272 4.392 4.120 -0.000 0.000 0.304 281 V C -1.725 174.132 176.094 -0.395 0.000 1.054 281 V CA -0.917 61.195 62.300 -0.313 0.000 0.882 281 V CB 1.540 33.278 31.823 -0.141 0.000 1.002 281 V HN -0.076 nan 8.190 nan 0.000 0.424 282 P HA -0.062 nan 4.420 nan 0.000 0.222 282 P C 1.543 178.680 177.300 -0.272 0.000 1.147 282 P CA 1.362 64.200 63.100 -0.436 0.000 0.790 282 P CB 0.326 31.722 31.700 -0.508 0.000 0.780 283 G N -0.529 107.980 108.800 -0.486 0.000 2.403 283 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.216 283 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.216 283 G C 1.322 175.993 174.900 -0.381 0.000 1.154 283 G CA 0.337 44.964 45.100 -0.788 0.000 0.784 283 G HN 0.128 nan 8.290 nan 0.000 0.538 284 L N -0.017 121.017 121.223 -0.315 0.000 2.017 284 L HA 0.081 4.421 4.340 -0.000 0.000 0.208 284 L C 2.734 179.483 176.870 -0.201 0.000 1.073 284 L CA 1.553 56.223 54.840 -0.284 0.000 0.745 284 L CB -0.796 40.977 42.059 -0.477 0.000 0.894 284 L HN 0.226 nan 8.230 nan 0.000 0.432 285 M N -1.556 117.955 119.600 -0.148 0.000 2.296 285 M HA -0.181 4.299 4.480 -0.000 0.000 0.265 285 M C 2.150 178.380 176.300 -0.117 0.000 1.064 285 M CA 1.401 56.674 55.300 -0.045 0.000 1.109 285 M CB -0.430 32.187 32.600 0.029 0.000 1.396 285 M HN 0.276 nan 8.290 nan 0.000 0.430 286 M N -1.373 118.095 119.600 -0.220 0.000 2.080 286 M HA -0.270 4.210 4.480 -0.000 0.000 0.260 286 M C 1.599 177.733 176.300 -0.276 0.000 1.068 286 M CA 1.966 57.090 55.300 -0.295 0.000 1.109 286 M CB -0.340 32.096 32.600 -0.273 0.000 1.342 286 M HN 0.271 nan 8.290 nan 0.000 0.405 287 Y N 0.214 120.390 120.300 -0.208 0.000 2.263 287 Y HA -0.022 4.527 4.550 -0.000 0.000 0.292 287 Y C 2.668 178.402 175.900 -0.277 0.000 1.130 287 Y CA 1.382 59.274 58.100 -0.347 0.000 1.179 287 Y CB -1.058 36.974 38.460 -0.715 0.000 0.998 287 Y HN 0.384 nan 8.280 nan 0.000 0.532 288 A N -0.544 122.278 122.820 0.003 0.000 1.892 288 A HA -0.250 4.070 4.320 -0.000 0.000 0.218 288 A C 2.320 179.956 177.584 0.087 0.000 1.188 288 A CA 2.566 54.727 52.037 0.206 0.000 0.631 288 A CB -1.289 17.866 19.000 0.259 0.000 0.822 288 A HN 0.416 nan 8.150 nan 0.000 0.447 289 T N 0.055 114.595 114.554 -0.022 0.000 2.777 289 T HA -0.054 4.295 4.350 -0.000 0.000 0.266 289 T C 1.780 176.410 174.700 -0.116 0.000 1.040 289 T CA 1.474 63.514 62.100 -0.100 0.000 1.141 289 T CB -0.381 68.390 68.868 -0.162 0.000 0.868 289 T HN 0.437 nan 8.240 nan 0.000 0.444 290 I N -0.881 119.610 120.570 -0.132 0.000 2.315 290 I HA -0.135 4.035 4.170 -0.000 0.000 0.248 290 I C 2.114 178.149 176.117 -0.136 0.000 1.117 290 I CA 1.296 62.482 61.300 -0.190 0.000 1.404 290 I CB -0.245 37.593 38.000 -0.270 0.000 1.071 290 I HN 0.334 nan 8.210 nan 0.000 0.419 291 W N 0.356 121.630 121.300 -0.045 0.000 2.418 291 W HA -0.069 4.590 4.660 -0.000 0.000 0.292 291 W C 2.430 178.929 176.519 -0.034 0.000 1.213 291 W CA 0.333 57.665 57.345 -0.022 0.000 1.283 291 W CB -0.185 29.253 29.460 -0.035 0.000 1.119 291 W HN 0.031 nan 8.180 nan 0.000 0.542 292 L N 0.572 121.879 121.223 0.140 0.000 1.997 292 L HA -0.331 4.009 4.340 -0.000 0.000 0.216 292 L C 2.528 179.433 176.870 0.059 0.000 1.074 292 L CA 1.871 56.748 54.840 0.063 0.000 0.763 292 L CB -0.491 41.568 42.059 0.000 0.000 0.890 292 L HN -0.009 nan 8.230 nan 0.000 0.434 293 R N -0.368 120.115 120.500 -0.028 0.000 2.083 293 R HA -0.253 4.087 4.340 -0.000 0.000 0.237 293 R C 2.147 178.430 176.300 -0.029 0.000 1.137 293 R CA 1.803 57.851 56.100 -0.086 0.000 0.951 293 R CB -0.289 29.918 30.300 -0.154 0.000 0.851 293 R HN 0.322 nan 8.270 nan 0.000 0.434 294 E N -0.463 119.743 120.200 0.009 0.000 2.085 294 E HA -0.248 4.102 4.350 -0.000 0.000 0.194 294 E C 1.701 178.383 176.600 0.138 0.000 0.994 294 E CA 1.911 58.340 56.400 0.049 0.000 0.801 294 E CB -0.218 29.509 29.700 0.046 0.000 0.743 294 E HN 0.498 nan 8.360 nan 0.000 0.453 295 H N -0.211 118.941 119.070 0.138 0.000 2.293 295 H HA -0.040 4.516 4.556 -0.000 0.000 0.300 295 H C 1.615 177.014 175.328 0.118 0.000 1.082 295 H CA 2.258 58.408 56.048 0.170 0.000 1.308 295 H CB -0.160 29.729 29.762 0.210 0.000 1.375 295 H HN 0.137 nan 8.280 nan 0.000 0.495 296 N N 0.208 118.994 118.700 0.143 0.000 2.309 296 N HA -0.122 4.618 4.740 -0.000 0.000 0.182 296 N C 1.967 177.457 175.510 -0.033 0.000 1.018 296 N CA 0.838 53.915 53.050 0.044 0.000 0.876 296 N CB -0.322 38.157 38.487 -0.013 0.000 0.972 296 N HN 0.417 nan 8.380 nan 0.000 0.434 297 R N 0.798 121.277 120.500 -0.035 0.000 2.066 297 R HA -0.019 4.321 4.340 -0.000 0.000 0.232 297 R C 1.583 177.868 176.300 -0.025 0.000 1.131 297 R CA 1.048 57.125 56.100 -0.038 0.000 0.955 297 R CB -0.268 30.007 30.300 -0.040 0.000 0.851 297 R HN -0.018 nan 8.270 nan 0.000 0.432 298 V N 0.552 120.452 119.914 -0.023 0.000 2.490 298 V HA -0.304 3.816 4.120 -0.000 0.000 0.250 298 V C 2.526 178.606 176.094 -0.024 0.000 1.061 298 V CA 1.559 63.853 62.300 -0.010 0.000 1.064 298 V CB -0.532 31.297 31.823 0.011 0.000 0.670 298 V HN 0.516 nan 8.190 nan 0.000 0.461 299 C N -0.001 119.252 119.300 -0.079 0.000 2.429 299 C HA -0.139 4.321 4.460 -0.000 0.000 0.277 299 C C 2.516 177.525 174.990 0.032 0.000 1.262 299 C CA 0.859 59.864 59.018 -0.022 0.000 1.733 299 C CB -0.967 26.757 27.740 -0.027 0.000 2.010 299 C HN 0.604 nan 8.230 nan 0.000 0.483 300 D N 0.774 121.182 120.400 0.013 0.000 2.117 300 D HA -0.064 4.575 4.640 -0.000 0.000 0.198 300 D C 1.927 178.235 176.300 0.013 0.000 0.982 300 D CA 1.115 55.126 54.000 0.018 0.000 0.828 300 D CB -0.370 40.431 40.800 0.001 0.000 0.967 300 D HN 0.453 nan 8.370 nan 0.000 0.464 301 I N 0.732 121.307 120.570 0.008 0.000 2.163 301 I HA -0.249 3.921 4.170 -0.000 0.000 0.243 301 I C 2.473 178.594 176.117 0.007 0.000 1.085 301 I CA 0.805 62.107 61.300 0.003 0.000 1.347 301 I CB -0.125 37.882 38.000 0.010 0.000 1.044 301 I HN -0.034 nan 8.210 nan 0.000 0.408 302 L N 0.293 121.544 121.223 0.046 0.000 2.093 302 L HA -0.222 4.117 4.340 -0.000 0.000 0.208 302 L C 2.588 179.488 176.870 0.049 0.000 1.085 302 L CA 1.277 56.164 54.840 0.079 0.000 0.755 302 L CB -0.537 41.630 42.059 0.179 0.000 0.904 302 L HN 0.235 nan 8.230 nan 0.000 0.435 303 K N -0.044 120.395 120.400 0.066 0.000 2.097 303 K HA -0.264 4.056 4.320 -0.000 0.000 0.206 303 K C 2.178 178.773 176.600 -0.009 0.000 1.049 303 K CA 1.437 57.761 56.287 0.061 0.000 0.933 303 K CB 0.092 32.638 32.500 0.076 0.000 0.717 303 K HN 0.098 nan 8.250 nan 0.000 0.442 304 Q N 0.989 120.769 119.800 -0.032 0.000 2.061 304 Q HA -0.178 4.162 4.340 -0.000 0.000 0.204 304 Q C 1.710 177.623 176.000 -0.145 0.000 0.984 304 Q CA 1.847 57.610 55.803 -0.067 0.000 0.846 304 Q CB 0.029 28.733 28.738 -0.055 0.000 0.902 304 Q HN 0.241 nan 8.270 nan 0.000 0.421 305 E N -0.485 119.585 120.200 -0.216 0.000 2.150 305 E HA -0.103 4.247 4.350 -0.000 0.000 0.193 305 E C 0.200 176.362 176.600 -0.730 0.000 0.985 305 E CA 0.944 57.069 56.400 -0.458 0.000 0.814 305 E CB 0.070 29.454 29.700 -0.526 0.000 0.752 305 E HN 0.481 nan 8.360 nan 0.000 0.466 306 H N -0.206 118.650 119.070 -0.357 0.000 2.379 306 H HA 0.159 4.715 4.556 -0.000 0.000 0.229 306 H C -1.765 173.432 175.328 -0.218 0.000 1.423 306 H CA -1.483 54.256 56.048 -0.514 0.000 1.375 306 H CB 1.096 30.070 29.762 -1.314 0.000 1.592 306 H HN 0.019 nan 8.280 nan 0.000 0.507 307 P HA -0.149 nan 4.420 nan 0.000 0.223 307 P C 0.705 178.061 177.300 0.092 0.000 1.144 307 P CA 1.032 64.149 63.100 0.030 0.000 0.783 307 P CB 0.443 32.144 31.700 0.001 0.000 0.771 308 E N -2.065 118.203 120.200 0.114 0.000 2.358 308 E HA -0.069 4.281 4.350 -0.000 0.000 0.195 308 E C 0.438 177.240 176.600 0.337 0.000 1.010 308 E CA 0.286 56.803 56.400 0.194 0.000 0.856 308 E CB -0.741 29.083 29.700 0.207 0.000 0.795 308 E HN 0.263 nan 8.360 nan 0.000 0.504 309 W N 1.821 123.168 121.300 0.079 0.000 2.218 309 W HA 0.548 5.208 4.660 -0.000 0.000 0.326 309 W C 1.159 177.710 176.519 0.053 0.000 1.276 309 W CA -0.944 56.431 57.345 0.049 0.000 1.210 309 W CB 0.528 30.010 29.460 0.036 0.000 1.143 309 W HN -0.006 nan 8.180 nan 0.000 0.563 310 G N 1.220 110.131 108.800 0.186 0.000 2.557 310 G HA2 0.061 4.021 3.960 -0.000 0.000 0.292 310 G HA3 0.061 4.021 3.960 -0.000 0.000 0.292 310 G C 0.427 175.404 174.900 0.128 0.000 1.237 310 G CA -0.169 45.005 45.100 0.123 0.000 0.978 310 G HN 0.470 nan 8.290 nan 0.000 0.498 311 D N -0.911 119.565 120.400 0.127 0.000 2.106 311 D HA -0.162 4.478 4.640 -0.000 0.000 0.191 311 D C 2.109 178.495 176.300 0.144 0.000 0.997 311 D CA 1.547 55.638 54.000 0.151 0.000 0.834 311 D CB 0.144 41.047 40.800 0.171 0.000 0.956 311 D HN 0.313 nan 8.370 nan 0.000 0.448 312 E N 0.029 120.288 120.200 0.097 0.000 2.058 312 E HA -0.227 4.123 4.350 -0.000 0.000 0.194 312 E C 2.056 178.687 176.600 0.051 0.000 0.997 312 E CA 0.941 57.395 56.400 0.090 0.000 0.801 312 E CB -0.378 29.345 29.700 0.038 0.000 0.746 312 E HN 0.538 nan 8.360 nan 0.000 0.450 313 Q N 0.096 119.834 119.800 -0.104 0.000 2.119 313 Q HA -0.083 4.257 4.340 -0.000 0.000 0.201 313 Q C 2.460 178.338 176.000 -0.204 0.000 0.972 313 Q CA 0.799 56.390 55.803 -0.353 0.000 0.847 313 Q CB -0.021 28.210 28.738 -0.845 0.000 0.903 313 Q HN 0.206 nan 8.270 nan 0.000 0.433 314 L N -0.202 121.058 121.223 0.062 0.000 2.012 314 L HA -0.184 4.156 4.340 -0.000 0.000 0.210 314 L C 2.305 179.278 176.870 0.172 0.000 1.073 314 L CA 1.403 56.383 54.840 0.234 0.000 0.748 314 L CB -0.550 41.670 42.059 0.268 0.000 0.891 314 L HN 0.316 nan 8.230 nan 0.000 0.431 315 F N 0.404 120.400 119.950 0.076 0.000 2.075 315 F HA -0.244 4.283 4.527 -0.000 0.000 0.297 315 F C 2.725 178.565 175.800 0.066 0.000 1.113 315 F CA 1.581 59.655 58.000 0.123 0.000 1.218 315 F CB -0.218 38.814 39.000 0.054 0.000 0.984 315 F HN 0.032 nan 8.300 nan 0.000 0.472 316 Q N -0.057 119.750 119.800 0.012 0.000 2.079 316 Q HA -0.129 4.211 4.340 -0.000 0.000 0.200 316 Q C 2.252 178.173 176.000 -0.131 0.000 0.974 316 Q CA 2.131 57.861 55.803 -0.122 0.000 0.840 316 Q CB -1.105 27.629 28.738 -0.007 0.000 0.898 316 Q HN 0.423 nan 8.270 nan 0.000 0.430 317 T N 1.046 115.566 114.554 -0.058 0.000 2.777 317 T HA -0.075 4.275 4.350 -0.000 0.000 0.266 317 T C 2.136 176.898 174.700 0.102 0.000 1.040 317 T CA 1.451 63.582 62.100 0.051 0.000 1.141 317 T CB -0.143 68.837 68.868 0.187 0.000 0.868 317 T HN 0.217 nan 8.240 nan 0.000 0.444 318 S N 0.902 116.621 115.700 0.031 0.000 2.399 318 S HA -0.089 4.380 4.470 -0.000 0.000 0.231 318 S C 2.032 176.677 174.600 0.074 0.000 1.022 318 S CA 0.934 59.139 58.200 0.008 0.000 0.983 318 S CB -0.221 62.828 63.200 -0.251 0.000 0.803 318 S HN 0.443 nan 8.310 nan 0.000 0.480 319 R N 1.176 121.611 120.500 -0.107 0.000 2.066 319 R HA 0.014 4.354 4.340 -0.000 0.000 0.232 319 R C 2.103 178.458 176.300 0.091 0.000 1.131 319 R CA 1.145 57.150 56.100 -0.158 0.000 0.955 319 R CB -0.392 29.465 30.300 -0.739 0.000 0.851 319 R HN 0.342 nan 8.270 nan 0.000 0.432 320 L N 0.472 121.769 121.223 0.122 0.000 2.131 320 L HA -0.180 4.160 4.340 -0.000 0.000 0.210 320 L C 2.407 179.571 176.870 0.489 0.000 1.092 320 L CA 1.129 56.157 54.840 0.313 0.000 0.759 320 L CB -0.327 41.904 42.059 0.286 0.000 0.903 320 L HN 0.294 nan 8.230 nan 0.000 0.435 321 I N -0.708 120.113 120.570 0.418 0.000 2.202 321 I HA -0.291 3.879 4.170 -0.000 0.000 0.242 321 I C 2.300 178.586 176.117 0.282 0.000 1.091 321 I CA 1.101 62.601 61.300 0.333 0.000 1.368 321 I CB -0.144 38.016 38.000 0.268 0.000 1.058 321 I HN 0.148 nan 8.210 nan 0.000 0.410 322 L N 0.251 121.658 121.223 0.305 0.000 2.131 322 L HA -0.182 4.158 4.340 -0.000 0.000 0.210 322 L C 2.272 179.283 176.870 0.235 0.000 1.092 322 L CA 1.696 56.741 54.840 0.342 0.000 0.759 322 L CB -0.507 41.791 42.059 0.399 0.000 0.903 322 L HN 0.174 nan 8.230 nan 0.000 0.435 323 I N -1.022 119.690 120.570 0.237 0.000 2.142 323 I HA -0.253 3.917 4.170 -0.000 0.000 0.240 323 I C 2.538 178.780 176.117 0.208 0.000 1.078 323 I CA 1.523 62.943 61.300 0.200 0.000 1.343 323 I CB -0.963 37.173 38.000 0.226 0.000 1.046 323 I HN 0.337 nan 8.210 nan 0.000 0.405 324 G N 0.232 109.203 108.800 0.285 0.000 2.476 324 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.218 324 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.218 324 G C 1.506 176.522 174.900 0.193 0.000 1.164 324 G CA 0.780 46.057 45.100 0.296 0.000 0.768 324 G HN 0.427 nan 8.290 nan 0.000 0.560 325 E N -0.199 120.137 120.200 0.227 0.000 2.118 325 E HA -0.112 4.238 4.350 -0.000 0.000 0.195 325 E C 2.758 179.527 176.600 0.281 0.000 0.992 325 E CA 1.414 57.973 56.400 0.265 0.000 0.804 325 E CB -0.227 29.707 29.700 0.389 0.000 0.741 325 E HN 0.373 nan 8.360 nan 0.000 0.458 326 T N 1.448 116.148 114.554 0.243 0.000 2.737 326 T HA -0.102 4.248 4.350 -0.000 0.000 0.265 326 T C 2.010 176.722 174.700 0.020 0.000 1.038 326 T CA 0.879 63.091 62.100 0.187 0.000 1.144 326 T CB -0.144 68.735 68.868 0.018 0.000 0.866 326 T HN 0.125 nan 8.240 nan 0.000 0.434 327 I N 0.889 121.383 120.570 -0.127 0.000 2.315 327 I HA -0.145 4.025 4.170 -0.000 0.000 0.248 327 I C 2.559 178.340 176.117 -0.561 0.000 1.117 327 I CA 1.059 62.129 61.300 -0.384 0.000 1.404 327 I CB -0.345 37.274 38.000 -0.635 0.000 1.071 327 I HN 0.148 nan 8.210 nan 0.000 0.419 328 K N 2.036 122.129 120.400 -0.512 0.000 2.009 328 K HA -0.158 4.162 4.320 -0.000 0.000 0.210 328 K C 1.856 178.454 176.600 -0.005 0.000 1.049 328 K CA 1.855 58.047 56.287 -0.158 0.000 0.929 328 K CB -0.455 32.126 32.500 0.135 0.000 0.714 328 K HN 0.237 nan 8.250 nan 0.000 0.440 329 I N 0.018 120.615 120.570 0.046 0.000 2.252 329 I HA -0.235 3.935 4.170 -0.000 0.000 0.245 329 I C 2.046 178.195 176.117 0.053 0.000 1.102 329 I CA 0.837 62.187 61.300 0.083 0.000 1.385 329 I CB -0.155 37.946 38.000 0.168 0.000 1.064 329 I HN -0.039 nan 8.210 nan 0.000 0.414 330 V N 1.067 120.954 119.914 -0.045 0.000 2.392 330 V HA -0.290 3.830 4.120 -0.000 0.000 0.249 330 V C 2.225 178.377 176.094 0.095 0.000 1.059 330 V CA 1.875 64.100 62.300 -0.124 0.000 1.051 330 V CB -0.422 31.151 31.823 -0.417 0.000 0.658 330 V HN 0.347 nan 8.190 nan 0.000 0.455 331 I N -0.475 120.129 120.570 0.058 0.000 2.235 331 I HA -0.123 4.047 4.170 -0.000 0.000 0.241 331 I C 2.295 178.491 176.117 0.131 0.000 1.085 331 I CA 1.428 62.797 61.300 0.116 0.000 1.378 331 I CB -0.246 37.819 38.000 0.107 0.000 1.076 331 I HN 0.311 nan 8.210 nan 0.000 0.415 332 E N 0.104 120.373 120.200 0.116 0.000 2.474 332 E HA -0.063 4.286 4.350 -0.000 0.000 0.194 332 E C 0.645 177.313 176.600 0.113 0.000 1.041 332 E CA 0.316 56.774 56.400 0.096 0.000 0.874 332 E CB 0.394 30.143 29.700 0.082 0.000 0.914 332 E HN 0.461 nan 8.360 nan 0.000 0.498 333 D N -0.883 119.625 120.400 0.181 0.000 2.932 333 D HA -0.040 4.600 4.640 -0.000 0.000 0.294 333 D C 1.349 177.952 176.300 0.506 0.000 1.119 333 D CA 0.175 54.341 54.000 0.276 0.000 0.980 333 D CB -0.257 40.654 40.800 0.185 0.000 1.361 333 D HN 0.052 nan 8.370 nan 0.000 0.466 334 Y N 2.403 122.868 120.300 0.276 0.000 2.114 334 Y HA -0.153 4.397 4.550 -0.000 0.000 0.284 334 Y C 2.226 178.214 175.900 0.147 0.000 1.119 334 Y CA 1.523 59.640 58.100 0.028 0.000 1.108 334 Y CB -0.370 37.974 38.460 -0.193 0.000 0.995 334 Y HN -0.274 nan 8.280 nan 0.000 0.491 335 V N 0.807 120.924 119.914 0.337 0.000 2.407 335 V HA -0.317 3.803 4.120 -0.000 0.000 0.248 335 V C 2.317 178.428 176.094 0.027 0.000 1.055 335 V CA 2.123 64.527 62.300 0.174 0.000 1.049 335 V CB -0.904 31.057 31.823 0.230 0.000 0.662 335 V HN 0.447 nan 8.190 nan 0.000 0.455 336 Q N 0.522 120.369 119.800 0.078 0.000 2.077 336 Q HA -0.299 4.041 4.340 -0.000 0.000 0.206 336 Q C 2.142 178.127 176.000 -0.025 0.000 0.989 336 Q CA 2.749 58.568 55.803 0.026 0.000 0.853 336 Q CB -0.569 28.211 28.738 0.071 0.000 0.907 336 Q HN 0.870 nan 8.270 nan 0.000 0.418 337 H N -1.093 117.943 119.070 -0.055 0.000 2.357 337 H HA -0.057 4.498 4.556 -0.000 0.000 0.301 337 H C 1.555 176.706 175.328 -0.294 0.000 1.082 337 H CA 1.548 57.512 56.048 -0.140 0.000 1.342 337 H CB -0.331 29.379 29.762 -0.087 0.000 1.389 337 H HN 0.333 nan 8.280 nan 0.000 0.511 338 L N 0.704 121.589 121.223 -0.563 0.000 2.093 338 L HA -0.110 4.230 4.340 -0.000 0.000 0.208 338 L C 2.612 179.157 176.870 -0.543 0.000 1.085 338 L CA 1.896 56.327 54.840 -0.682 0.000 0.755 338 L CB -0.996 40.852 42.059 -0.353 0.000 0.904 338 L HN 0.591 nan 8.230 nan 0.000 0.435 339 S N -1.230 114.192 115.700 -0.464 0.000 2.387 339 S HA 0.061 4.530 4.470 -0.000 0.000 0.226 339 S C 1.750 176.018 174.600 -0.553 0.000 1.026 339 S CA 0.702 58.512 58.200 -0.650 0.000 0.972 339 S CB -0.594 61.958 63.200 -1.079 0.000 0.814 339 S HN 0.625 nan 8.310 nan 0.000 0.477 340 G N -0.154 108.393 108.800 -0.421 0.000 2.159 340 G HA2 -0.235 3.724 3.960 -0.000 0.000 0.256 340 G HA3 -0.235 3.724 3.960 -0.000 0.000 0.256 340 G C -0.203 174.557 174.900 -0.234 0.000 0.977 340 G CA 0.282 45.202 45.100 -0.299 0.000 0.652 340 G HN 0.499 nan 8.290 nan 0.000 0.531 341 Y N 0.482 120.593 120.300 -0.316 0.000 2.359 341 Y HA 0.415 4.965 4.550 -0.000 0.000 0.330 341 Y C 1.718 177.409 175.900 -0.348 0.000 1.143 341 Y CA -0.475 57.389 58.100 -0.392 0.000 1.318 341 Y CB 0.376 38.686 38.460 -0.249 0.000 1.234 341 Y HN 0.345 nan 8.280 nan 0.000 0.522 342 H N 1.582 120.532 119.070 -0.200 0.000 2.547 342 H HA -0.035 4.521 4.556 -0.000 0.000 0.272 342 H C 0.114 175.338 175.328 -0.175 0.000 0.989 342 H CA -0.170 55.781 56.048 -0.161 0.000 1.214 342 H CB 0.172 29.898 29.762 -0.059 0.000 1.389 342 H HN 0.388 nan 8.280 nan 0.000 0.577 343 F N 2.757 122.397 119.950 -0.517 0.000 2.495 343 F HA 0.091 4.617 4.527 -0.000 0.000 0.365 343 F C 0.483 176.243 175.800 -0.067 0.000 1.090 343 F CA -0.806 56.986 58.000 -0.346 0.000 1.235 343 F CB 0.477 39.090 39.000 -0.646 0.000 1.119 343 F HN -0.195 nan 8.300 nan 0.000 0.562 344 K N 7.908 127.881 120.400 -0.712 0.000 2.273 344 K HA 0.308 4.628 4.320 -0.000 0.000 0.287 344 K C -0.603 175.510 176.600 -0.812 0.000 1.089 344 K CA -0.394 55.568 56.287 -0.541 0.000 0.909 344 K CB 0.138 32.467 32.500 -0.285 0.000 1.123 344 K HN 0.729 nan 8.250 nan 0.000 0.473 345 L N 3.206 124.173 121.223 -0.428 0.000 2.472 345 L HA 0.239 4.578 4.340 -0.000 0.000 0.260 345 L C 0.162 176.966 176.870 -0.109 0.000 1.209 345 L CA -0.000 54.709 54.840 -0.218 0.000 0.817 345 L CB 0.468 42.537 42.059 0.016 0.000 1.106 345 L HN 0.563 nan 8.230 nan 0.000 0.479 346 K N 1.008 121.407 120.400 -0.002 0.000 2.482 346 K HA 0.330 4.650 4.320 -0.000 0.000 0.251 346 K C -1.418 175.253 176.600 0.118 0.000 0.936 346 K CA -0.635 55.673 56.287 0.036 0.000 0.791 346 K CB 1.479 33.977 32.500 -0.003 0.000 1.213 346 K HN 0.281 nan 8.250 nan 0.000 0.428 347 F N 4.591 124.526 119.950 -0.024 0.000 2.368 347 F HA 0.375 4.902 4.527 -0.000 0.000 0.362 347 F C -0.973 174.764 175.800 -0.106 0.000 1.137 347 F CA -0.648 57.321 58.000 -0.052 0.000 1.161 347 F CB 0.577 39.570 39.000 -0.011 0.000 1.265 347 F HN 0.529 nan 8.300 nan 0.000 0.530 348 D N 8.282 128.357 120.400 -0.540 0.000 2.337 348 D HA 0.307 4.947 4.640 -0.000 0.000 0.238 348 D C -2.321 173.532 176.300 -0.745 0.000 1.331 348 D CA -1.818 51.790 54.000 -0.654 0.000 0.967 348 D CB 1.761 42.383 40.800 -0.297 0.000 1.382 348 D HN 0.158 nan 8.370 nan 0.000 0.549 349 P HA -0.147 nan 4.420 nan 0.000 0.217 349 P C 0.869 177.457 177.300 -1.188 0.000 1.148 349 P CA 1.100 63.594 63.100 -1.010 0.000 0.828 349 P CB 0.349 31.222 31.700 -1.379 0.000 0.783 350 E N -0.721 118.748 120.200 -1.219 0.000 2.267 350 E HA -0.151 4.199 4.350 -0.000 0.000 0.197 350 E C 1.847 178.036 176.600 -0.684 0.000 0.998 350 E CA 0.633 56.262 56.400 -1.286 0.000 0.830 350 E CB -0.613 28.823 29.700 -0.441 0.000 0.751 350 E HN 0.300 nan 8.360 nan 0.000 0.491 351 L N 0.255 121.204 121.223 -0.458 0.000 2.127 351 L HA -0.205 4.135 4.340 -0.000 0.000 0.211 351 L C 2.084 178.844 176.870 -0.184 0.000 1.089 351 L CA 0.960 55.660 54.840 -0.233 0.000 0.757 351 L CB -0.264 41.689 42.059 -0.176 0.000 0.899 351 L HN 0.203 nan 8.230 nan 0.000 0.434 352 L N -2.171 118.900 121.223 -0.254 0.000 2.585 352 L HA 0.037 4.377 4.340 -0.000 0.000 0.226 352 L C 2.087 179.083 176.870 0.211 0.000 1.113 352 L CA 0.060 54.849 54.840 -0.085 0.000 0.876 352 L CB -0.211 41.696 42.059 -0.252 0.000 1.072 352 L HN 0.153 nan 8.230 nan 0.000 0.468 353 F N 1.475 121.472 119.950 0.079 0.000 2.269 353 F HA -0.170 4.357 4.527 -0.000 0.000 0.301 353 F C 1.764 177.632 175.800 0.113 0.000 1.082 353 F CA 0.462 58.538 58.000 0.127 0.000 1.360 353 F CB -0.096 38.974 39.000 0.117 0.000 1.041 353 F HN 0.400 nan 8.300 nan 0.000 0.512 354 N N -0.089 118.770 118.700 0.266 0.000 2.321 354 N HA 0.085 4.825 4.740 -0.000 0.000 0.242 354 N C -0.538 175.055 175.510 0.138 0.000 1.141 354 N CA 0.022 53.178 53.050 0.178 0.000 0.864 354 N CB 0.221 38.795 38.487 0.144 0.000 1.100 354 N HN 0.202 nan 8.380 nan 0.000 0.510 355 Q N 0.123 120.014 119.800 0.153 0.000 2.451 355 Q HA 0.379 4.719 4.340 -0.000 0.000 0.281 355 Q C -1.155 174.935 176.000 0.150 0.000 1.099 355 Q CA -0.519 55.358 55.803 0.122 0.000 0.806 355 Q CB 2.119 30.910 28.738 0.089 0.000 1.419 355 Q HN 0.218 nan 8.270 nan 0.000 0.427 356 Q N 1.477 121.352 119.800 0.126 0.000 2.293 356 Q HA 0.488 4.828 4.340 -0.000 0.000 0.263 356 Q C -1.205 174.905 176.000 0.183 0.000 1.002 356 Q CA 0.217 56.093 55.803 0.122 0.000 0.910 356 Q CB 0.570 29.350 28.738 0.071 0.000 1.185 356 Q HN 0.474 nan 8.270 nan 0.000 0.401 357 F N 1.185 121.091 119.950 -0.073 0.000 2.672 357 F HA 0.161 4.688 4.527 -0.000 0.000 0.311 357 F C -1.549 174.081 175.800 -0.283 0.000 1.113 357 F CA -0.820 57.066 58.000 -0.189 0.000 0.996 357 F CB 1.743 40.581 39.000 -0.270 0.000 1.286 357 F HN 0.284 nan 8.300 nan 0.000 0.441 358 Q N 5.262 124.530 119.800 -0.886 0.000 2.372 358 Q HA 0.222 4.562 4.340 -0.000 0.000 0.259 358 Q C -1.301 174.332 176.000 -0.611 0.000 0.993 358 Q CA -0.400 55.074 55.803 -0.548 0.000 0.854 358 Q CB 1.156 29.671 28.738 -0.372 0.000 1.231 358 Q HN 0.673 nan 8.270 nan 0.000 0.462 359 Y N 3.248 123.550 120.300 0.004 0.000 2.604 359 Y HA 0.017 4.567 4.550 -0.000 0.000 0.341 359 Y C 0.766 176.679 175.900 0.021 0.000 1.249 359 Y CA 0.028 58.192 58.100 0.106 0.000 1.926 359 Y CB 0.007 38.575 38.460 0.180 0.000 1.941 359 Y HN 0.406 nan 8.280 nan 0.000 0.426 360 Q N 0.267 120.084 119.800 0.029 0.000 2.721 360 Q HA 0.468 4.808 4.340 -0.000 0.000 0.282 360 Q C -2.155 173.817 176.000 -0.046 0.000 0.932 360 Q CA -1.194 54.615 55.803 0.009 0.000 0.816 360 Q CB 1.717 30.454 28.738 -0.002 0.000 1.506 360 Q HN 0.324 nan 8.270 nan 0.000 0.399 361 N N -0.193 118.486 118.700 -0.035 0.000 2.405 361 N HA 0.633 5.373 4.740 -0.000 0.000 0.274 361 N C -2.173 173.295 175.510 -0.070 0.000 1.170 361 N CA -0.550 52.471 53.050 -0.047 0.000 0.848 361 N CB 2.454 40.926 38.487 -0.025 0.000 1.629 361 N HN 0.615 nan 8.380 nan 0.000 0.481 362 R N 2.694 123.144 120.500 -0.083 0.000 2.532 362 R HA 0.519 4.859 4.340 -0.000 0.000 0.297 362 R C -1.053 175.288 176.300 0.068 0.000 0.984 362 R CA -0.568 55.438 56.100 -0.156 0.000 0.884 362 R CB 0.576 30.707 30.300 -0.281 0.000 1.182 362 R HN 0.520 nan 8.270 nan 0.000 0.442 363 I N 3.707 124.491 120.570 0.356 0.000 2.533 363 I HA 0.230 4.400 4.170 -0.000 0.000 0.284 363 I C 0.572 176.885 176.117 0.326 0.000 1.109 363 I CA -0.019 61.493 61.300 0.353 0.000 1.412 363 I CB 0.555 38.838 38.000 0.471 0.000 1.396 363 I HN 0.721 nan 8.210 nan 0.000 0.543 364 A N 4.760 127.634 122.820 0.090 0.000 2.316 364 A HA 0.295 4.615 4.320 -0.000 0.000 0.284 364 A C 1.218 178.702 177.584 -0.166 0.000 1.115 364 A CA -0.202 51.792 52.037 -0.072 0.000 0.812 364 A CB 0.796 19.573 19.000 -0.372 0.000 1.064 364 A HN 0.784 nan 8.150 nan 0.000 0.489 365 S N 0.659 116.259 115.700 -0.168 0.000 2.399 365 S HA -0.142 4.328 4.470 -0.000 0.000 0.231 365 S C 1.436 175.881 174.600 -0.258 0.000 1.022 365 S CA 2.143 60.147 58.200 -0.327 0.000 0.983 365 S CB -0.317 62.841 63.200 -0.070 0.000 0.803 365 S HN 0.762 nan 8.310 nan 0.000 0.480 366 E N 0.113 120.160 120.200 -0.255 0.000 2.158 366 E HA 0.056 4.406 4.350 -0.000 0.000 0.191 366 E C 1.476 177.950 176.600 -0.210 0.000 0.982 366 E CA 0.642 56.902 56.400 -0.232 0.000 0.823 366 E CB -0.318 29.190 29.700 -0.319 0.000 0.766 366 E HN 0.565 nan 8.360 nan 0.000 0.468 367 F N 2.140 121.722 119.950 -0.613 0.000 2.102 367 F HA -0.196 4.331 4.527 -0.000 0.000 0.298 367 F C 1.985 177.606 175.800 -0.299 0.000 1.105 367 F CA 1.317 59.070 58.000 -0.412 0.000 1.239 367 F CB -0.539 38.157 39.000 -0.506 0.000 0.991 367 F HN 0.010 nan 8.300 nan 0.000 0.474 368 N N 0.095 118.359 118.700 -0.727 0.000 2.018 368 N HA -0.200 4.540 4.740 -0.000 0.000 0.196 368 N C 1.794 176.887 175.510 -0.696 0.000 1.043 368 N CA 2.499 54.663 53.050 -1.477 0.000 0.856 368 N CB -0.821 36.914 38.487 -1.252 0.000 1.042 368 N HN 0.329 nan 8.380 nan 0.000 0.423 369 T N 1.837 116.120 114.554 -0.450 0.000 2.652 369 T HA -0.164 4.186 4.350 -0.000 0.000 0.267 369 T C 1.959 176.576 174.700 -0.138 0.000 1.039 369 T CA 1.883 63.761 62.100 -0.370 0.000 1.153 369 T CB -0.496 68.268 68.868 -0.173 0.000 0.863 369 T HN 0.459 nan 8.240 nan 0.000 0.428 370 L N -1.124 120.070 121.223 -0.049 0.000 2.265 370 L HA 0.075 4.415 4.340 -0.000 0.000 0.215 370 L C 1.894 178.798 176.870 0.056 0.000 1.117 370 L CA 1.542 56.419 54.840 0.061 0.000 0.782 370 L CB -1.100 40.996 42.059 0.062 0.000 0.914 370 L HN 0.200 nan 8.230 nan 0.000 0.441 371 Y N 0.019 120.158 120.300 -0.269 0.000 2.462 371 Y HA 0.150 4.700 4.550 -0.000 0.000 0.293 371 Y C 0.734 176.299 175.900 -0.558 0.000 1.195 371 Y CA -0.244 57.429 58.100 -0.713 0.000 1.276 371 Y CB -0.219 37.847 38.460 -0.657 0.000 1.082 371 Y HN 0.285 nan 8.280 nan 0.000 0.514 372 H N 0.207 119.214 119.070 -0.105 0.000 3.198 372 H HA -0.069 4.487 4.556 -0.000 0.000 0.255 372 H C -0.559 174.931 175.328 0.269 0.000 1.729 372 H CA -0.258 55.828 56.048 0.062 0.000 1.495 372 H CB -0.278 29.634 29.762 0.250 0.000 1.807 372 H HN 0.408 nan 8.280 nan 0.000 0.554 373 W N 1.769 123.094 121.300 0.042 0.000 2.708 373 W HA 0.116 4.776 4.660 -0.000 0.000 0.440 373 W C 0.638 177.175 176.519 0.030 0.000 0.688 373 W CA -0.957 56.450 57.345 0.103 0.000 2.213 373 W CB -1.158 28.418 29.460 0.193 0.000 1.209 373 W HN 0.648 nan 8.180 nan 0.000 0.783 374 H N 0.330 119.639 119.070 0.398 0.000 2.491 374 H HA -0.083 4.473 4.556 -0.000 0.000 0.290 374 H C -0.576 174.914 175.328 0.270 0.000 1.050 374 H CA 1.282 57.511 56.048 0.303 0.000 1.309 374 H CB -1.106 28.814 29.762 0.264 0.000 1.392 374 H HN 0.026 nan 8.280 nan 0.000 0.554 375 P HA -0.125 nan 4.420 nan 0.000 0.225 375 P C 1.113 178.541 177.300 0.213 0.000 1.148 375 P CA 0.943 64.181 63.100 0.231 0.000 0.779 375 P CB 0.036 31.825 31.700 0.149 0.000 0.780 376 L N -1.665 119.696 121.223 0.229 0.000 2.127 376 L HA -0.137 4.203 4.340 -0.000 0.000 0.211 376 L C 1.173 178.158 176.870 0.191 0.000 1.089 376 L CA 0.698 55.658 54.840 0.201 0.000 0.757 376 L CB -0.810 41.391 42.059 0.236 0.000 0.899 376 L HN 0.018 nan 8.230 nan 0.000 0.434 377 L N 0.699 122.049 121.223 0.211 0.000 2.453 377 L HA 0.113 4.453 4.340 -0.000 0.000 0.272 377 L C -1.936 174.996 176.870 0.104 0.000 1.182 377 L CA -1.579 53.355 54.840 0.157 0.000 0.858 377 L CB -0.001 42.285 42.059 0.378 0.000 1.120 377 L HN -0.115 nan 8.230 nan 0.000 0.474 378 P HA 0.198 nan 4.420 nan 0.000 0.297 378 P C -0.432 176.678 177.300 -0.317 0.000 1.307 378 P CA -0.498 62.332 63.100 -0.450 0.000 0.773 378 P CB 0.839 32.083 31.700 -0.760 0.000 1.265 379 D N -1.614 118.593 120.400 -0.322 0.000 2.194 379 D HA 0.001 4.641 4.640 -0.000 0.000 0.204 379 D C 0.704 176.915 176.300 -0.148 0.000 0.964 379 D CA 1.464 55.418 54.000 -0.076 0.000 0.846 379 D CB -0.171 40.586 40.800 -0.071 0.000 0.962 379 D HN 0.490 nan 8.370 nan 0.000 0.490 380 T N -2.263 112.047 114.554 -0.408 0.000 2.901 380 T HA 0.609 4.959 4.350 -0.000 0.000 0.293 380 T C -0.693 173.581 174.700 -0.710 0.000 1.084 380 T CA -0.899 60.967 62.100 -0.391 0.000 1.008 380 T CB 1.518 70.269 68.868 -0.194 0.000 1.170 380 T HN -0.213 nan 8.240 nan 0.000 0.509 381 F N 1.716 121.493 119.950 -0.288 0.000 2.402 381 F HA 0.460 4.987 4.527 -0.000 0.000 0.355 381 F C 0.169 175.887 175.800 -0.138 0.000 1.123 381 F CA -1.011 56.783 58.000 -0.344 0.000 1.021 381 F CB 1.295 39.733 39.000 -0.937 0.000 1.160 381 F HN 0.426 nan 8.300 nan 0.000 0.451 382 N N 5.415 124.134 118.700 0.030 0.000 2.527 382 N HA 0.412 5.152 4.740 -0.000 0.000 0.236 382 N C -0.825 174.653 175.510 -0.053 0.000 0.999 382 N CA -0.150 52.879 53.050 -0.035 0.000 0.935 382 N CB 1.043 39.489 38.487 -0.067 0.000 1.132 382 N HN 0.487 nan 8.380 nan 0.000 0.511 383 I N 1.051 121.541 120.570 -0.132 0.000 2.382 383 I HA 0.160 4.330 4.170 -0.000 0.000 0.285 383 I C 0.997 176.917 176.117 -0.327 0.000 1.007 383 I CA -0.418 60.678 61.300 -0.340 0.000 1.142 383 I CB 1.013 38.700 38.000 -0.522 0.000 1.289 383 I HN 0.554 nan 8.210 nan 0.000 0.453 384 E N 3.704 123.766 120.200 -0.229 0.000 3.211 384 E HA -0.317 4.032 4.350 -0.000 0.000 0.393 384 E C -0.076 176.479 176.600 -0.076 0.000 1.515 384 E CA 2.211 58.546 56.400 -0.108 0.000 1.385 384 E CB -0.432 29.248 29.700 -0.032 0.000 1.616 384 E HN 0.767 nan 8.360 nan 0.000 0.489 385 D N 0.646 121.026 120.400 -0.034 0.000 2.349 385 D HA 0.080 4.720 4.640 -0.000 0.000 0.214 385 D C -0.077 176.172 176.300 -0.086 0.000 1.063 385 D CA 0.430 54.406 54.000 -0.040 0.000 0.847 385 D CB 0.230 41.027 40.800 -0.005 0.000 0.933 385 D HN 0.103 nan 8.370 nan 0.000 0.513 386 Q N 0.603 120.315 119.800 -0.147 0.000 2.222 386 Q HA 0.367 4.707 4.340 -0.000 0.000 0.252 386 Q C -0.248 175.514 176.000 -0.396 0.000 0.926 386 Q CA -0.056 55.547 55.803 -0.333 0.000 0.899 386 Q CB 2.042 30.452 28.738 -0.547 0.000 1.250 386 Q HN 0.144 nan 8.270 nan 0.000 0.441 387 E N 2.213 122.171 120.200 -0.403 0.000 2.207 387 E HA 0.241 4.591 4.350 -0.000 0.000 0.250 387 E C -1.165 175.294 176.600 -0.236 0.000 0.890 387 E CA -0.315 55.929 56.400 -0.261 0.000 0.749 387 E CB 0.861 30.470 29.700 -0.152 0.000 1.193 387 E HN 0.374 nan 8.360 nan 0.000 0.423 388 Y N 1.369 121.695 120.300 0.044 0.000 2.316 388 Y HA 0.075 4.625 4.550 -0.000 0.000 0.331 388 Y C 1.237 177.213 175.900 0.127 0.000 1.083 388 Y CA -0.599 57.575 58.100 0.122 0.000 1.206 388 Y CB 0.942 39.533 38.460 0.219 0.000 1.195 388 Y HN 0.355 nan 8.280 nan 0.000 0.497 389 S N 1.798 117.685 115.700 0.312 0.000 2.589 389 S HA 0.071 4.541 4.470 -0.000 0.000 0.265 389 S C 0.954 175.805 174.600 0.418 0.000 1.342 389 S CA -0.541 57.845 58.200 0.310 0.000 1.005 389 S CB 0.337 63.693 63.200 0.261 0.000 0.909 389 S HN 0.569 nan 8.310 nan 0.000 0.555 390 F N 1.184 121.322 119.950 0.314 0.000 2.063 390 F HA -0.108 4.419 4.527 -0.000 0.000 0.298 390 F C 2.705 178.656 175.800 0.251 0.000 1.109 390 F CA 2.098 60.307 58.000 0.349 0.000 1.212 390 F CB -0.370 38.785 39.000 0.258 0.000 0.973 390 F HN 0.588 nan 8.300 nan 0.000 0.480 391 K N 0.539 121.179 120.400 0.401 0.000 2.152 391 K HA -0.206 4.114 4.320 -0.000 0.000 0.206 391 K C 1.910 178.656 176.600 0.243 0.000 1.048 391 K CA 1.625 58.076 56.287 0.274 0.000 0.933 391 K CB -0.307 32.328 32.500 0.226 0.000 0.721 391 K HN 0.440 nan 8.250 nan 0.000 0.447 392 Q N -1.388 118.580 119.800 0.281 0.000 2.187 392 Q HA -0.076 4.263 4.340 -0.000 0.000 0.199 392 Q C 1.842 177.967 176.000 0.207 0.000 0.957 392 Q CA 0.888 56.855 55.803 0.273 0.000 0.857 392 Q CB -0.030 28.944 28.738 0.392 0.000 0.929 392 Q HN 0.177 nan 8.270 nan 0.000 0.453 393 F N 0.992 120.952 119.950 0.017 0.000 2.179 393 F HA 0.066 4.593 4.527 -0.000 0.000 0.292 393 F C 0.704 176.375 175.800 -0.215 0.000 1.089 393 F CA 0.295 58.192 58.000 -0.171 0.000 1.295 393 F CB 0.126 38.970 39.000 -0.262 0.000 1.041 393 F HN -0.109 nan 8.300 nan 0.000 0.487 394 L N 1.395 122.521 121.223 -0.162 0.000 2.540 394 L HA -0.124 4.216 4.340 -0.000 0.000 0.276 394 L C 0.088 176.659 176.870 -0.498 0.000 1.212 394 L CA 0.235 54.741 54.840 -0.557 0.000 0.893 394 L CB -0.554 40.983 42.059 -0.870 0.000 1.138 394 L HN 0.478 nan 8.230 nan 0.000 0.491 395 Y N 1.026 121.286 120.300 -0.067 0.000 3.825 395 Y HA -0.274 4.276 4.550 -0.000 0.000 0.221 395 Y C 0.455 176.328 175.900 -0.045 0.000 1.195 395 Y CA 0.077 58.164 58.100 -0.021 0.000 1.699 395 Y CB -1.849 36.636 38.460 0.041 0.000 1.531 395 Y HN 0.669 nan 8.280 nan 0.000 0.640 396 N N 1.227 119.881 118.700 -0.078 0.000 2.851 396 N HA 0.231 4.971 4.740 -0.000 0.000 0.248 396 N C 0.276 175.676 175.510 -0.185 0.000 1.221 396 N CA -0.369 52.615 53.050 -0.109 0.000 0.847 396 N CB 0.266 38.682 38.487 -0.120 0.000 1.150 396 N HN 0.210 nan 8.380 nan 0.000 0.507 397 N N 0.044 118.647 118.700 -0.162 0.000 2.512 397 N HA -0.048 4.692 4.740 -0.000 0.000 0.183 397 N C 1.305 176.693 175.510 -0.203 0.000 1.073 397 N CA 0.328 53.261 53.050 -0.194 0.000 0.911 397 N CB 0.263 38.572 38.487 -0.296 0.000 0.964 397 N HN 0.311 nan 8.380 nan 0.000 0.447 398 S N 1.204 116.794 115.700 -0.183 0.000 2.374 398 S HA -0.073 4.397 4.470 -0.000 0.000 0.227 398 S C 1.952 176.503 174.600 -0.082 0.000 1.037 398 S CA 0.800 58.919 58.200 -0.135 0.000 1.024 398 S CB -0.125 63.020 63.200 -0.092 0.000 0.861 398 S HN 0.299 nan 8.310 nan 0.000 0.456 399 I N 0.647 121.179 120.570 -0.062 0.000 2.226 399 I HA -0.189 3.981 4.170 -0.000 0.000 0.245 399 I C 2.261 178.503 176.117 0.210 0.000 1.100 399 I CA 0.779 62.126 61.300 0.078 0.000 1.374 399 I CB -0.352 37.611 38.000 -0.061 0.000 1.057 399 I HN 0.264 nan 8.210 nan 0.000 0.413 400 L N 0.761 121.970 121.223 -0.024 0.000 2.017 400 L HA -0.194 4.146 4.340 -0.000 0.000 0.208 400 L C 2.315 179.127 176.870 -0.098 0.000 1.073 400 L CA 1.879 56.559 54.840 -0.267 0.000 0.745 400 L CB -0.562 41.263 42.059 -0.389 0.000 0.894 400 L HN 0.135 nan 8.230 nan 0.000 0.432 401 L N -0.780 120.363 121.223 -0.134 0.000 2.083 401 L HA -0.207 4.133 4.340 -0.000 0.000 0.209 401 L C 2.562 179.404 176.870 -0.048 0.000 1.083 401 L CA 1.381 56.131 54.840 -0.151 0.000 0.752 401 L CB -0.447 41.487 42.059 -0.208 0.000 0.899 401 L HN 0.353 nan 8.230 nan 0.000 0.433 402 E N -0.514 119.652 120.200 -0.057 0.000 2.051 402 E HA -0.220 4.130 4.350 -0.000 0.000 0.192 402 E C 2.134 178.650 176.600 -0.140 0.000 0.991 402 E CA 1.578 57.896 56.400 -0.136 0.000 0.799 402 E CB 0.046 29.600 29.700 -0.242 0.000 0.748 402 E HN 0.465 nan 8.360 nan 0.000 0.449 403 H N -1.160 117.992 119.070 0.136 0.000 2.486 403 H HA 0.298 4.854 4.556 -0.000 0.000 0.287 403 H C 0.991 176.403 175.328 0.140 0.000 1.010 403 H CA 0.923 57.068 56.048 0.161 0.000 1.324 403 H CB 0.434 30.345 29.762 0.249 0.000 1.446 403 H HN 0.257 nan 8.280 nan 0.000 0.537 404 G N 0.860 109.802 108.800 0.238 0.000 2.712 404 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.686 404 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.686 404 G C 0.558 175.526 174.900 0.114 0.000 1.321 404 G CA -0.201 44.996 45.100 0.162 0.000 0.813 404 G HN 0.147 nan 8.290 nan 0.000 0.599 405 L N 0.856 122.083 121.223 0.006 0.000 2.046 405 L HA -0.098 4.242 4.340 -0.000 0.000 0.208 405 L C 3.228 180.100 176.870 0.003 0.000 1.077 405 L CA 2.899 57.700 54.840 -0.066 0.000 0.747 405 L CB -1.681 40.282 42.059 -0.160 0.000 0.896 405 L HN 0.866 nan 8.230 nan 0.000 0.432 406 T N -0.807 113.748 114.554 0.002 0.000 2.635 406 T HA -0.292 4.057 4.350 -0.000 0.000 0.267 406 T C 1.835 176.553 174.700 0.030 0.000 1.040 406 T CA 1.796 63.900 62.100 0.006 0.000 1.156 406 T CB -0.166 68.707 68.868 0.007 0.000 0.863 406 T HN 0.168 nan 8.240 nan 0.000 0.430 407 Q N -0.048 119.791 119.800 0.065 0.000 2.119 407 Q HA 0.001 4.341 4.340 -0.000 0.000 0.201 407 Q C 1.850 177.827 176.000 -0.037 0.000 0.972 407 Q CA 1.348 57.177 55.803 0.043 0.000 0.847 407 Q CB -0.654 28.146 28.738 0.104 0.000 0.903 407 Q HN 0.503 nan 8.270 nan 0.000 0.433 408 F N -0.899 118.922 119.950 -0.215 0.000 2.069 408 F HA -0.230 4.297 4.527 -0.000 0.000 0.298 408 F C 2.185 177.758 175.800 -0.378 0.000 1.113 408 F CA 1.383 59.112 58.000 -0.451 0.000 1.214 408 F CB -0.664 38.108 39.000 -0.380 0.000 0.978 408 F HN -0.063 nan 8.300 nan 0.000 0.474 409 V N -0.171 119.746 119.914 0.006 0.000 2.287 409 V HA -0.313 3.807 4.120 -0.000 0.000 0.248 409 V C 2.180 178.294 176.094 0.033 0.000 1.053 409 V CA 2.218 64.532 62.300 0.023 0.000 1.027 409 V CB -0.736 31.079 31.823 -0.013 0.000 0.646 409 V HN 0.327 nan 8.190 nan 0.000 0.447 410 E N 0.269 120.474 120.200 0.008 0.000 2.038 410 E HA -0.192 4.158 4.350 -0.000 0.000 0.195 410 E C 2.422 179.035 176.600 0.023 0.000 1.000 410 E CA 1.760 58.178 56.400 0.031 0.000 0.803 410 E CB -0.269 29.442 29.700 0.019 0.000 0.750 410 E HN 0.543 nan 8.360 nan 0.000 0.448 411 S N 0.407 116.063 115.700 -0.072 0.000 2.368 411 S HA -0.113 4.357 4.470 -0.000 0.000 0.225 411 S C 1.651 176.315 174.600 0.106 0.000 1.030 411 S CA 0.909 59.060 58.200 -0.081 0.000 0.999 411 S CB -0.218 62.808 63.200 -0.290 0.000 0.844 411 S HN 0.171 nan 8.310 nan 0.000 0.459 412 F N 2.104 122.066 119.950 0.021 0.000 2.325 412 F HA 0.030 4.556 4.527 -0.000 0.000 0.299 412 F C 2.667 178.546 175.800 0.131 0.000 1.090 412 F CA 0.360 58.425 58.000 0.107 0.000 1.392 412 F CB -1.714 37.404 39.000 0.196 0.000 1.053 412 F HN 0.137 nan 8.300 nan 0.000 0.521 413 T N -0.304 114.421 114.554 0.286 0.000 2.833 413 T HA -0.145 4.205 4.350 -0.000 0.000 0.269 413 T C 2.141 176.949 174.700 0.180 0.000 1.054 413 T CA 1.126 63.350 62.100 0.208 0.000 1.135 413 T CB -0.094 68.874 68.868 0.165 0.000 0.869 413 T HN 0.208 nan 8.240 nan 0.000 0.466 414 R N 0.603 121.196 120.500 0.155 0.000 2.200 414 R HA 0.142 4.482 4.340 -0.000 0.000 0.208 414 R C 1.299 177.657 176.300 0.096 0.000 1.033 414 R CA 0.192 56.356 56.100 0.107 0.000 1.000 414 R CB 0.113 30.455 30.300 0.071 0.000 0.906 414 R HN 0.403 nan 8.270 nan 0.000 0.462 415 Q N 1.775 121.651 119.800 0.127 0.000 2.314 415 Q HA 0.201 4.541 4.340 -0.000 0.000 0.257 415 Q C -0.627 175.422 176.000 0.081 0.000 0.975 415 Q CA -0.200 55.654 55.803 0.085 0.000 0.933 415 Q CB 0.848 29.645 28.738 0.098 0.000 1.195 415 Q HN 0.143 nan 8.270 nan 0.000 0.426 416 I N 3.143 123.755 120.570 0.070 0.000 2.696 416 I HA 0.281 4.450 4.170 -0.000 0.000 0.284 416 I C -0.226 175.986 176.117 0.158 0.000 1.129 416 I CA 0.066 61.432 61.300 0.110 0.000 1.410 416 I CB 0.813 38.889 38.000 0.127 0.000 1.399 416 I HN 0.838 nan 8.210 nan 0.000 0.579 417 A N 5.091 128.014 122.820 0.172 0.000 2.269 417 A HA 0.755 5.075 4.320 -0.000 0.000 0.327 417 A C 0.028 177.765 177.584 0.254 0.000 1.112 417 A CA -0.197 51.967 52.037 0.213 0.000 0.865 417 A CB 0.723 19.815 19.000 0.154 0.000 1.227 417 A HN 0.823 nan 8.150 nan 0.000 0.498 418 G N -0.451 108.492 108.800 0.238 0.000 2.448 418 G HA2 0.487 4.447 3.960 -0.000 0.000 0.285 418 G HA3 0.487 4.447 3.960 -0.000 0.000 0.285 418 G C 0.035 174.862 174.900 -0.122 0.000 1.176 418 G CA -0.648 44.419 45.100 -0.055 0.000 0.852 418 G HN 0.833 nan 8.290 nan 0.000 0.530 419 R N 1.135 121.493 120.500 -0.237 0.000 2.489 419 R HA 0.158 4.498 4.340 -0.000 0.000 0.287 419 R C 0.890 177.114 176.300 -0.127 0.000 1.053 419 R CA -0.370 55.605 56.100 -0.208 0.000 1.036 419 R CB 0.751 30.919 30.300 -0.220 0.000 0.966 419 R HN 0.266 nan 8.270 nan 0.000 0.432 420 V N 3.919 123.761 119.914 -0.120 0.000 2.374 420 V HA 0.027 4.147 4.120 -0.000 0.000 0.241 420 V C 1.089 177.182 176.094 -0.002 0.000 1.034 420 V CA 1.668 63.959 62.300 -0.016 0.000 1.037 420 V CB -0.357 31.466 31.823 0.001 0.000 0.682 420 V HN 0.907 nan 8.190 nan 0.000 0.463 421 A N -0.746 122.072 122.820 -0.003 0.000 2.257 421 A HA 0.556 4.876 4.320 -0.000 0.000 0.290 421 A C 1.539 179.088 177.584 -0.058 0.000 1.201 421 A CA 0.495 52.520 52.037 -0.021 0.000 0.863 421 A CB -0.087 18.917 19.000 0.008 0.000 1.256 421 A HN 1.319 nan 8.150 nan 0.000 0.506 422 G N -2.188 106.576 108.800 -0.060 0.000 2.217 422 G HA2 0.330 4.290 3.960 -0.000 0.000 0.246 422 G HA3 0.330 4.290 3.960 -0.000 0.000 0.246 422 G C 1.654 176.517 174.900 -0.062 0.000 0.990 422 G CA 0.692 45.752 45.100 -0.067 0.000 0.627 422 G HN 3.064 nan 8.290 nan 0.000 0.522 423 G N -0.802 107.964 108.800 -0.057 0.000 2.712 423 G HA2 0.305 4.265 3.960 -0.000 0.000 0.686 423 G HA3 0.305 4.265 3.960 -0.000 0.000 0.686 423 G C 0.219 175.096 174.900 -0.039 0.000 1.321 423 G CA 0.367 45.439 45.100 -0.047 0.000 0.813 423 G HN 1.648 nan 8.290 nan 0.000 0.599 424 R N -0.928 119.558 120.500 -0.024 0.000 3.333 424 R HA -0.212 4.128 4.340 -0.000 0.000 0.256 424 R C 0.522 176.817 176.300 -0.008 0.000 1.010 424 R CA 1.078 57.171 56.100 -0.012 0.000 0.680 424 R CB -1.218 29.072 30.300 -0.017 0.000 1.102 424 R HN 0.715 nan 8.270 nan 0.000 0.440 425 N N -0.706 117.998 118.700 0.005 0.000 2.217 425 N HA 0.097 4.837 4.740 -0.000 0.000 0.239 425 N C -0.923 174.636 175.510 0.082 0.000 1.330 425 N CA -0.028 53.034 53.050 0.019 0.000 0.838 425 N CB 1.174 39.638 38.487 -0.038 0.000 1.287 425 N HN 0.049 nan 8.380 nan 0.000 0.498 426 V N 2.876 122.844 119.914 0.089 0.000 2.455 426 V HA 0.340 4.460 4.120 -0.000 0.000 0.273 426 V C -2.001 174.153 176.094 0.099 0.000 1.045 426 V CA -1.353 61.024 62.300 0.128 0.000 0.976 426 V CB 0.809 32.707 31.823 0.126 0.000 0.993 426 V HN 0.120 nan 8.190 nan 0.000 0.475 427 P HA 0.200 nan 4.420 nan 0.000 0.268 427 P C 1.047 178.319 177.300 -0.048 0.000 1.204 427 P CA 0.017 63.148 63.100 0.051 0.000 0.768 427 P CB 0.751 32.498 31.700 0.078 0.000 0.842 428 I N 2.152 122.685 120.570 -0.061 0.000 2.264 428 I HA -0.304 3.866 4.170 -0.000 0.000 0.248 428 I C 2.216 178.242 176.117 -0.151 0.000 1.111 428 I CA 1.746 63.001 61.300 -0.074 0.000 1.382 428 I CB -0.521 37.453 38.000 -0.043 0.000 1.060 428 I HN 0.383 nan 8.210 nan 0.000 0.418 429 A N -0.437 122.198 122.820 -0.308 0.000 2.076 429 A HA -0.151 4.169 4.320 -0.000 0.000 0.220 429 A C 2.042 179.424 177.584 -0.337 0.000 1.160 429 A CA 1.558 53.330 52.037 -0.442 0.000 0.653 429 A CB -0.432 17.935 19.000 -1.056 0.000 0.801 429 A HN 0.313 nan 8.150 nan 0.000 0.455 430 V N 0.718 120.473 119.914 -0.266 0.000 3.006 430 V HA 0.054 4.174 4.120 -0.000 0.000 0.357 430 V C 1.660 177.695 176.094 -0.097 0.000 1.377 430 V CA 0.606 62.813 62.300 -0.154 0.000 1.198 430 V CB -0.313 31.437 31.823 -0.121 0.000 1.216 430 V HN 0.852 nan 8.190 nan 0.000 0.520 431 Q N 0.530 120.288 119.800 -0.071 0.000 2.170 431 Q HA -0.089 4.251 4.340 -0.000 0.000 0.203 431 Q C 1.939 177.926 176.000 -0.022 0.000 0.976 431 Q CA 1.960 57.746 55.803 -0.027 0.000 0.858 431 Q CB -0.380 28.346 28.738 -0.019 0.000 0.907 431 Q HN 0.571 nan 8.270 nan 0.000 0.433 432 A N 1.007 123.806 122.820 -0.035 0.000 1.972 432 A HA -0.076 4.244 4.320 -0.000 0.000 0.219 432 A C 2.277 179.837 177.584 -0.040 0.000 1.169 432 A CA 1.408 53.428 52.037 -0.030 0.000 0.635 432 A CB -0.566 18.419 19.000 -0.026 0.000 0.810 432 A HN 0.267 nan 8.150 nan 0.000 0.446 433 V N -0.310 119.564 119.914 -0.067 0.000 2.323 433 V HA -0.173 3.947 4.120 -0.000 0.000 0.244 433 V C 3.035 179.102 176.094 -0.045 0.000 1.041 433 V CA 1.681 63.930 62.300 -0.086 0.000 1.025 433 V CB -1.273 30.412 31.823 -0.231 0.000 0.656 433 V HN 0.590 nan 8.190 nan 0.000 0.451 434 A N 0.079 122.900 122.820 0.001 0.000 1.883 434 A HA -0.305 4.015 4.320 -0.000 0.000 0.217 434 A C 2.355 179.987 177.584 0.079 0.000 1.186 434 A CA 2.426 54.545 52.037 0.136 0.000 0.624 434 A CB -0.554 18.558 19.000 0.187 0.000 0.822 434 A HN 0.510 nan 8.150 nan 0.000 0.444 435 K N -0.467 119.955 120.400 0.037 0.000 2.057 435 K HA -0.096 4.224 4.320 -0.000 0.000 0.207 435 K C 2.158 178.732 176.600 -0.043 0.000 1.049 435 K CA 1.221 57.516 56.287 0.014 0.000 0.931 435 K CB -0.327 32.176 32.500 0.006 0.000 0.714 435 K HN 0.382 nan 8.250 nan 0.000 0.440 436 A N 0.599 123.380 122.820 -0.065 0.000 1.902 436 A HA -0.132 4.188 4.320 -0.000 0.000 0.217 436 A C 2.152 179.628 177.584 -0.181 0.000 1.181 436 A CA 1.982 53.965 52.037 -0.091 0.000 0.623 436 A CB -0.614 18.349 19.000 -0.062 0.000 0.818 436 A HN 0.359 nan 8.150 nan 0.000 0.443 437 S N -0.032 115.489 115.700 -0.298 0.000 2.370 437 S HA -0.171 4.299 4.470 -0.000 0.000 0.226 437 S C 1.788 176.046 174.600 -0.570 0.000 1.033 437 S CA 1.672 59.485 58.200 -0.646 0.000 1.011 437 S CB -0.544 61.896 63.200 -1.266 0.000 0.852 437 S HN 0.567 nan 8.310 nan 0.000 0.457 438 I N 1.678 122.062 120.570 -0.309 0.000 2.163 438 I HA -0.188 3.981 4.170 -0.000 0.000 0.240 438 I C 2.081 178.128 176.117 -0.117 0.000 1.081 438 I CA 1.210 62.458 61.300 -0.087 0.000 1.353 438 I CB -0.498 37.550 38.000 0.080 0.000 1.054 438 I HN 0.147 nan 8.210 nan 0.000 0.407 439 D N 0.570 120.910 120.400 -0.101 0.000 2.149 439 D HA -0.203 4.437 4.640 -0.000 0.000 0.198 439 D C 2.258 178.492 176.300 -0.109 0.000 0.990 439 D CA 1.328 55.281 54.000 -0.078 0.000 0.839 439 D CB -0.262 40.505 40.800 -0.055 0.000 0.948 439 D HN 0.458 nan 8.370 nan 0.000 0.460 440 Q N 0.027 119.729 119.800 -0.163 0.000 2.187 440 Q HA 0.005 4.345 4.340 -0.000 0.000 0.199 440 Q C 2.293 178.120 176.000 -0.288 0.000 0.957 440 Q CA 0.623 56.323 55.803 -0.171 0.000 0.857 440 Q CB 0.136 28.778 28.738 -0.160 0.000 0.929 440 Q HN 0.050 nan 8.270 nan 0.000 0.453 441 S N 0.631 116.061 115.700 -0.450 0.000 2.353 441 S HA -0.182 4.287 4.470 -0.000 0.000 0.222 441 S C 1.782 176.159 174.600 -0.372 0.000 1.035 441 S CA 1.252 58.993 58.200 -0.764 0.000 1.025 441 S CB -0.122 62.668 63.200 -0.683 0.000 0.902 441 S HN 0.324 nan 8.310 nan 0.000 0.440 442 R N 0.904 121.304 120.500 -0.167 0.000 2.080 442 R HA -0.128 4.211 4.340 -0.000 0.000 0.236 442 R C 2.480 178.775 176.300 -0.008 0.000 1.137 442 R CA 1.571 57.649 56.100 -0.036 0.000 0.943 442 R CB -0.475 29.818 30.300 -0.012 0.000 0.846 442 R HN 0.519 nan 8.270 nan 0.000 0.431 443 E N 0.800 120.984 120.200 -0.027 0.000 2.147 443 E HA -0.221 4.129 4.350 -0.000 0.000 0.199 443 E C 1.565 178.187 176.600 0.037 0.000 1.005 443 E CA 1.388 57.792 56.400 0.008 0.000 0.810 443 E CB 0.032 29.732 29.700 0.000 0.000 0.736 443 E HN 0.317 nan 8.360 nan 0.000 0.460 444 M N 0.313 119.927 119.600 0.022 0.000 2.628 444 M HA 0.027 4.507 4.480 -0.000 0.000 0.232 444 M C -0.313 176.110 176.300 0.206 0.000 1.128 444 M CA 0.224 55.591 55.300 0.112 0.000 1.040 444 M CB 0.474 33.165 32.600 0.151 0.000 1.608 444 M HN -0.148 nan 8.290 nan 0.000 0.507 445 K N 0.198 120.692 120.400 0.156 0.000 3.278 445 K HA -0.199 4.121 4.320 -0.000 0.000 0.270 445 K C -1.249 175.511 176.600 0.265 0.000 0.955 445 K CA 0.740 57.126 56.287 0.164 0.000 0.723 445 K CB -2.495 30.066 32.500 0.103 0.000 1.382 445 K HN 0.296 nan 8.250 nan 0.000 0.461 446 Y N 1.215 121.565 120.300 0.082 0.000 2.620 446 Y HA -0.010 4.540 4.550 -0.000 0.000 0.330 446 Y C 1.826 177.826 175.900 0.166 0.000 1.186 446 Y CA -0.076 58.122 58.100 0.164 0.000 1.467 446 Y CB 0.467 39.023 38.460 0.160 0.000 1.262 446 Y HN 0.199 nan 8.280 nan 0.000 0.550 447 Q N 1.163 121.105 119.800 0.237 0.000 2.651 447 Q HA 0.155 4.495 4.340 -0.000 0.000 0.224 447 Q C 0.433 176.575 176.000 0.236 0.000 1.094 447 Q CA -0.110 55.745 55.803 0.087 0.000 1.018 447 Q CB 0.389 29.004 28.738 -0.205 0.000 1.292 447 Q HN 0.807 nan 8.270 nan 0.000 0.588 448 S N -0.118 115.661 115.700 0.131 0.000 2.596 448 S HA -0.004 4.466 4.470 -0.000 0.000 0.260 448 S C 0.970 175.715 174.600 0.242 0.000 1.336 448 S CA -0.565 57.735 58.200 0.167 0.000 0.993 448 S CB 0.472 63.721 63.200 0.081 0.000 0.923 448 S HN 0.647 nan 8.310 nan 0.000 0.567 449 L N 1.402 122.740 121.223 0.191 0.000 1.997 449 L HA -0.171 4.169 4.340 -0.000 0.000 0.216 449 L C 2.072 179.029 176.870 0.145 0.000 1.074 449 L CA 2.172 57.120 54.840 0.181 0.000 0.763 449 L CB -1.416 40.702 42.059 0.098 0.000 0.890 449 L HN 0.758 nan 8.230 nan 0.000 0.434 450 N N -0.253 118.485 118.700 0.062 0.000 2.149 450 N HA -0.172 4.568 4.740 -0.000 0.000 0.188 450 N C 1.754 177.255 175.510 -0.016 0.000 1.019 450 N CA 1.364 54.414 53.050 0.001 0.000 0.857 450 N CB -0.248 38.220 38.487 -0.032 0.000 0.997 450 N HN 0.497 nan 8.380 nan 0.000 0.426 451 E N -0.018 120.162 120.200 -0.034 0.000 2.077 451 E HA -0.132 4.218 4.350 -0.000 0.000 0.193 451 E C 1.813 178.328 176.600 -0.143 0.000 0.989 451 E CA 0.816 57.134 56.400 -0.137 0.000 0.800 451 E CB -0.435 29.124 29.700 -0.235 0.000 0.746 451 E HN 0.507 nan 8.360 nan 0.000 0.452 452 Y N 1.007 121.332 120.300 0.043 0.000 2.242 452 Y HA -0.083 4.467 4.550 -0.000 0.000 0.291 452 Y C 2.541 178.533 175.900 0.153 0.000 1.137 452 Y CA 1.050 59.227 58.100 0.128 0.000 1.181 452 Y CB -0.150 38.381 38.460 0.119 0.000 0.989 452 Y HN -0.028 nan 8.280 nan 0.000 0.527 453 R N 0.270 120.874 120.500 0.173 0.000 2.073 453 R HA -0.174 4.165 4.340 -0.000 0.000 0.234 453 R C 2.093 178.418 176.300 0.041 0.000 1.134 453 R CA 1.795 57.935 56.100 0.066 0.000 0.952 453 R CB -0.244 30.012 30.300 -0.074 0.000 0.850 453 R HN 0.301 nan 8.270 nan 0.000 0.433 454 K N -0.045 120.346 120.400 -0.015 0.000 2.057 454 K HA -0.166 4.154 4.320 -0.000 0.000 0.207 454 K C 2.095 178.653 176.600 -0.070 0.000 1.049 454 K CA 1.220 57.470 56.287 -0.062 0.000 0.931 454 K CB -0.135 32.303 32.500 -0.104 0.000 0.714 454 K HN -0.081 nan 8.250 nan 0.000 0.440 455 R N 0.812 121.278 120.500 -0.058 0.000 2.127 455 R HA -0.097 4.243 4.340 -0.000 0.000 0.238 455 R C 0.676 176.791 176.300 -0.308 0.000 1.134 455 R CA 1.532 57.531 56.100 -0.168 0.000 0.975 455 R CB -0.313 29.912 30.300 -0.125 0.000 0.865 455 R HN 0.143 nan 8.270 nan 0.000 0.447 456 F N 0.249 120.158 119.950 -0.068 0.000 2.750 456 F HA 0.319 4.846 4.527 -0.000 0.000 0.297 456 F C 0.238 175.988 175.800 -0.083 0.000 1.138 456 F CA -0.117 57.825 58.000 -0.096 0.000 1.346 456 F CB 0.394 39.344 39.000 -0.085 0.000 0.965 456 F HN -0.111 nan 8.300 nan 0.000 0.514 457 S N 1.051 116.762 115.700 0.018 0.000 3.812 457 S HA -0.171 4.299 4.470 -0.000 0.000 0.341 457 S C -0.351 174.259 174.600 0.016 0.000 1.057 457 S CA 0.209 58.415 58.200 0.010 0.000 1.015 457 S CB -1.895 61.321 63.200 0.026 0.000 0.893 457 S HN 0.312 nan 8.310 nan 0.000 0.476 458 L N 0.366 121.585 121.223 -0.007 0.000 2.362 458 L HA 0.518 4.857 4.340 -0.000 0.000 0.271 458 L C 0.377 177.188 176.870 -0.098 0.000 1.002 458 L CA -0.803 54.006 54.840 -0.052 0.000 0.818 458 L CB 1.459 43.477 42.059 -0.070 0.000 1.298 458 L HN 0.040 nan 8.230 nan 0.000 0.420 459 K N 2.835 123.163 120.400 -0.119 0.000 2.412 459 K HA 0.205 4.525 4.320 -0.000 0.000 0.281 459 K C -2.300 174.169 176.600 -0.219 0.000 1.027 459 K CA -1.347 54.861 56.287 -0.131 0.000 0.989 459 K CB 0.745 33.185 32.500 -0.100 0.000 0.935 459 K HN 0.196 nan 8.250 nan 0.000 0.475 460 P HA -0.032 nan 4.420 nan 0.000 0.271 460 P C -1.002 176.194 177.300 -0.174 0.000 1.216 460 P CA 0.145 63.133 63.100 -0.186 0.000 0.776 460 P CB 0.221 31.859 31.700 -0.104 0.000 0.881 461 Y N 0.580 120.830 120.300 -0.084 0.000 2.620 461 Y HA -0.029 4.520 4.550 -0.000 0.000 0.330 461 Y C 2.129 177.949 175.900 -0.133 0.000 1.186 461 Y CA 0.241 58.274 58.100 -0.110 0.000 1.467 461 Y CB 0.067 38.438 38.460 -0.149 0.000 1.262 461 Y HN 0.417 nan 8.280 nan 0.000 0.550 462 T N -2.152 112.445 114.554 0.072 0.000 3.081 462 T HA 0.166 4.516 4.350 -0.000 0.000 0.250 462 T C 0.177 174.852 174.700 -0.042 0.000 1.100 462 T CA 0.344 62.443 62.100 -0.002 0.000 1.038 462 T CB -0.109 68.765 68.868 0.010 0.000 0.962 462 T HN 0.511 nan 8.240 nan 0.000 0.516 463 S N -0.981 114.673 115.700 -0.077 0.000 2.587 463 S HA 0.563 5.033 4.470 -0.000 0.000 0.269 463 S C -0.227 174.242 174.600 -0.218 0.000 1.154 463 S CA -0.999 57.131 58.200 -0.118 0.000 0.824 463 S CB 0.195 63.398 63.200 0.004 0.000 1.118 463 S HN -0.059 nan 8.310 nan 0.000 0.462 464 F N 1.040 120.955 119.950 -0.059 0.000 2.259 464 F HA 0.130 4.657 4.527 -0.000 0.000 0.298 464 F C 2.511 178.229 175.800 -0.136 0.000 1.088 464 F CA 1.102 59.036 58.000 -0.109 0.000 1.358 464 F CB -0.322 38.637 39.000 -0.068 0.000 1.040 464 F HN 0.682 nan 8.300 nan 0.000 0.505 465 E N 0.181 120.430 120.200 0.081 0.000 2.110 465 E HA -0.257 4.093 4.350 -0.000 0.000 0.193 465 E C 2.055 178.613 176.600 -0.070 0.000 0.988 465 E CA 1.254 57.658 56.400 0.006 0.000 0.804 465 E CB -0.238 29.474 29.700 0.020 0.000 0.745 465 E HN 0.509 nan 8.360 nan 0.000 0.458 466 E N 0.567 120.705 120.200 -0.104 0.000 2.150 466 E HA -0.184 4.166 4.350 -0.000 0.000 0.193 466 E C 2.135 178.476 176.600 -0.431 0.000 0.985 466 E CA 0.397 56.713 56.400 -0.140 0.000 0.814 466 E CB 0.095 29.790 29.700 -0.009 0.000 0.752 466 E HN 0.092 nan 8.360 nan 0.000 0.466 467 L N 0.729 121.542 121.223 -0.684 0.000 2.005 467 L HA -0.146 4.194 4.340 -0.000 0.000 0.207 467 L C 2.516 179.124 176.870 -0.436 0.000 1.072 467 L CA 2.711 56.961 54.840 -0.984 0.000 0.744 467 L CB -1.049 40.587 42.059 -0.704 0.000 0.895 467 L HN 0.213 nan 8.230 nan 0.000 0.433 468 T N -3.660 110.755 114.554 -0.231 0.000 2.896 468 T HA 0.216 4.566 4.350 -0.000 0.000 0.263 468 T C 1.630 176.271 174.700 -0.097 0.000 1.050 468 T CA 0.702 62.727 62.100 -0.127 0.000 1.140 468 T CB -0.570 68.257 68.868 -0.068 0.000 0.877 468 T HN 0.822 nan 8.240 nan 0.000 0.457 469 G N 1.638 110.383 108.800 -0.091 0.000 2.159 469 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.256 469 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.256 469 G C -0.142 174.736 174.900 -0.036 0.000 0.977 469 G CA 0.536 45.604 45.100 -0.054 0.000 0.652 469 G HN 1.048 nan 8.290 nan 0.000 0.531 470 E N -2.105 118.074 120.200 -0.035 0.000 2.442 470 E HA 0.791 5.141 4.350 -0.000 0.000 0.271 470 E C 0.556 177.145 176.600 -0.017 0.000 1.002 470 E CA -0.881 55.505 56.400 -0.025 0.000 0.864 470 E CB 0.206 29.890 29.700 -0.028 0.000 1.573 470 E HN 0.002 nan 8.360 nan 0.000 0.456 471 K N -0.469 119.922 120.400 -0.014 0.000 2.399 471 K HA 0.143 4.463 4.320 -0.000 0.000 0.196 471 K C 1.462 178.054 176.600 -0.013 0.000 1.117 471 K CA 0.344 56.626 56.287 -0.008 0.000 0.965 471 K CB 0.478 32.974 32.500 -0.006 0.000 0.983 471 K HN 0.575 nan 8.250 nan 0.000 0.531 472 E N 1.566 121.755 120.200 -0.018 0.000 2.016 472 E HA -0.074 4.276 4.350 -0.000 0.000 0.190 472 E C 1.997 178.580 176.600 -0.028 0.000 0.985 472 E CA 0.930 57.317 56.400 -0.022 0.000 0.802 472 E CB 0.120 29.808 29.700 -0.020 0.000 0.762 472 E HN 0.107 nan 8.360 nan 0.000 0.448 473 M N 0.427 120.011 119.600 -0.027 0.000 2.149 473 M HA -0.181 4.299 4.480 -0.000 0.000 0.261 473 M C 2.387 178.665 176.300 -0.037 0.000 1.064 473 M CA 1.477 56.759 55.300 -0.030 0.000 1.102 473 M CB -0.193 32.391 32.600 -0.027 0.000 1.369 473 M HN 0.231 nan 8.290 nan 0.000 0.408 474 A N 0.340 123.147 122.820 -0.021 0.000 1.902 474 A HA -0.086 4.234 4.320 -0.000 0.000 0.217 474 A C 2.355 179.897 177.584 -0.069 0.000 1.181 474 A CA 1.973 54.011 52.037 0.002 0.000 0.623 474 A CB -0.894 18.131 19.000 0.042 0.000 0.818 474 A HN 0.509 nan 8.150 nan 0.000 0.443 475 A N -0.440 122.346 122.820 -0.058 0.000 1.898 475 A HA -0.123 4.197 4.320 -0.000 0.000 0.216 475 A C 1.930 179.444 177.584 -0.116 0.000 1.181 475 A CA 1.529 53.520 52.037 -0.076 0.000 0.620 475 A CB -0.424 18.551 19.000 -0.042 0.000 0.819 475 A HN 0.493 nan 8.150 nan 0.000 0.442 476 E N 0.117 120.260 120.200 -0.095 0.000 2.085 476 E HA -0.177 4.173 4.350 -0.000 0.000 0.194 476 E C 2.021 178.541 176.600 -0.133 0.000 0.994 476 E CA 1.158 57.504 56.400 -0.090 0.000 0.801 476 E CB -0.403 29.265 29.700 -0.054 0.000 0.743 476 E HN 0.680 nan 8.360 nan 0.000 0.453 477 L N 0.656 121.757 121.223 -0.203 0.000 2.109 477 L HA -0.123 4.216 4.340 -0.000 0.000 0.207 477 L C 2.676 179.158 176.870 -0.647 0.000 1.086 477 L CA 1.002 55.671 54.840 -0.286 0.000 0.760 477 L CB -0.312 41.565 42.059 -0.304 0.000 0.910 477 L HN 0.055 nan 8.230 nan 0.000 0.437 478 K N 0.679 120.583 120.400 -0.826 0.000 2.057 478 K HA -0.184 4.136 4.320 -0.000 0.000 0.207 478 K C 2.099 178.543 176.600 -0.260 0.000 1.049 478 K CA 1.396 57.283 56.287 -0.666 0.000 0.931 478 K CB -0.095 32.210 32.500 -0.325 0.000 0.714 478 K HN 0.246 nan 8.250 nan 0.000 0.440 479 A N 0.830 123.539 122.820 -0.185 0.000 1.969 479 A HA -0.061 4.259 4.320 -0.000 0.000 0.218 479 A C 2.018 179.540 177.584 -0.103 0.000 1.169 479 A CA 1.140 53.114 52.037 -0.106 0.000 0.635 479 A CB -0.369 18.581 19.000 -0.083 0.000 0.810 479 A HN 0.318 nan 8.150 nan 0.000 0.445 480 L N -2.943 118.204 121.223 -0.127 0.000 2.084 480 L HA -0.033 4.307 4.340 -0.000 0.000 0.202 480 L C 2.407 179.141 176.870 -0.227 0.000 1.074 480 L CA 1.087 55.820 54.840 -0.179 0.000 0.757 480 L CB -0.426 41.513 42.059 -0.200 0.000 0.918 480 L HN 0.431 nan 8.230 nan 0.000 0.444 481 Y N -0.979 119.260 120.300 -0.102 0.000 2.436 481 Y HA -0.025 4.525 4.550 -0.000 0.000 0.288 481 Y C 2.045 177.993 175.900 0.080 0.000 1.112 481 Y CA 0.592 58.709 58.100 0.028 0.000 1.220 481 Y CB 0.386 38.944 38.460 0.164 0.000 1.073 481 Y HN 0.135 nan 8.280 nan 0.000 0.552 482 S N -1.282 114.514 115.700 0.159 0.000 1.476 482 S HA -0.268 4.202 4.470 -0.000 0.000 0.242 482 S C 0.003 174.795 174.600 0.321 0.000 0.711 482 S CA 1.493 59.792 58.200 0.165 0.000 1.268 482 S CB -1.311 61.957 63.200 0.113 0.000 1.523 482 S HN 0.530 nan 8.310 nan 0.000 0.510 483 D N 0.694 121.311 120.400 0.361 0.000 2.278 483 D HA 0.563 5.203 4.640 -0.000 0.000 0.245 483 D C 0.691 177.134 176.300 0.238 0.000 1.052 483 D CA -0.515 53.647 54.000 0.270 0.000 0.834 483 D CB 1.394 42.287 40.800 0.154 0.000 1.194 483 D HN 0.139 nan 8.370 nan 0.000 0.481 484 I N 2.851 123.356 120.570 -0.109 0.000 2.361 484 I HA -0.185 3.984 4.170 -0.000 0.000 0.251 484 I C 1.162 177.134 176.117 -0.242 0.000 1.133 484 I CA 1.386 62.322 61.300 -0.606 0.000 1.413 484 I CB -0.016 37.619 38.000 -0.608 0.000 1.073 484 I HN 0.375 nan 8.210 nan 0.000 0.424 485 D N -0.450 119.902 120.400 -0.080 0.000 2.371 485 D HA -0.013 4.627 4.640 -0.000 0.000 0.221 485 D C 1.875 178.192 176.300 0.027 0.000 0.986 485 D CA 0.586 54.569 54.000 -0.027 0.000 0.899 485 D CB 0.304 41.096 40.800 -0.013 0.000 0.902 485 D HN 0.265 nan 8.370 nan 0.000 0.530 486 V N 0.676 120.640 119.914 0.083 0.000 3.578 486 V HA 0.101 4.221 4.120 -0.000 0.000 0.290 486 V C 0.479 176.685 176.094 0.187 0.000 1.376 486 V CA -0.156 62.243 62.300 0.165 0.000 1.083 486 V CB 0.139 32.096 31.823 0.224 0.000 0.911 486 V HN 0.051 nan 8.190 nan 0.000 0.433 487 M N 1.460 121.060 119.600 0.000 0.000 2.239 487 M HA 0.184 4.664 4.480 -0.000 0.000 0.348 487 M C 0.250 176.495 176.300 -0.091 0.000 1.239 487 M CA 0.470 55.597 55.300 -0.287 0.000 1.114 487 M CB 0.046 32.489 32.600 -0.262 0.000 1.641 487 M HN 0.263 nan 8.290 nan 0.000 0.453 488 E N 3.412 123.563 120.200 -0.082 0.000 2.319 488 E HA 0.123 4.473 4.350 -0.000 0.000 0.268 488 E C 0.563 177.215 176.600 0.087 0.000 1.050 488 E CA -0.552 55.913 56.400 0.107 0.000 0.878 488 E CB 1.025 30.846 29.700 0.202 0.000 1.066 488 E HN 0.780 nan 8.360 nan 0.000 0.406 489 L N 3.098 124.415 121.223 0.157 0.000 1.994 489 L HA -0.225 4.115 4.340 -0.000 0.000 0.208 489 L C 2.084 179.004 176.870 0.084 0.000 1.071 489 L CA 1.879 56.791 54.840 0.119 0.000 0.745 489 L CB -0.645 41.478 42.059 0.105 0.000 0.892 489 L HN 0.720 nan 8.230 nan 0.000 0.431 490 Y N 1.140 121.440 120.300 0.001 0.000 2.114 490 Y HA -0.094 4.456 4.550 -0.000 0.000 0.284 490 Y C -0.621 175.283 175.900 0.006 0.000 1.143 490 Y CA 1.797 59.881 58.100 -0.027 0.000 1.135 490 Y CB -1.900 36.506 38.460 -0.091 0.000 0.980 490 Y HN 0.252 nan 8.280 nan 0.000 0.499 491 P HA -0.127 nan 4.420 nan 0.000 0.218 491 P C 1.463 178.655 177.300 -0.181 0.000 1.149 491 P CA 2.306 65.256 63.100 -0.249 0.000 0.817 491 P CB -0.366 31.329 31.700 -0.009 0.000 0.785 492 A N 0.010 122.766 122.820 -0.107 0.000 1.883 492 A HA -0.186 4.134 4.320 -0.000 0.000 0.217 492 A C 2.248 179.783 177.584 -0.083 0.000 1.186 492 A CA 1.559 53.551 52.037 -0.074 0.000 0.624 492 A CB -1.731 17.259 19.000 -0.017 0.000 0.822 492 A HN 0.109 nan 8.150 nan 0.000 0.444 493 L N -0.727 120.438 121.223 -0.096 0.000 2.081 493 L HA -0.221 4.119 4.340 -0.000 0.000 0.212 493 L C 2.301 179.107 176.870 -0.106 0.000 1.080 493 L CA 1.272 56.056 54.840 -0.092 0.000 0.754 493 L CB -0.474 41.537 42.059 -0.081 0.000 0.893 493 L HN 0.399 nan 8.230 nan 0.000 0.433 494 L N -0.905 120.216 121.223 -0.170 0.000 2.446 494 L HA -0.010 4.330 4.340 -0.000 0.000 0.219 494 L C 1.950 178.764 176.870 -0.093 0.000 1.116 494 L CA 0.191 54.953 54.840 -0.131 0.000 0.844 494 L CB -0.074 41.866 42.059 -0.199 0.000 0.970 494 L HN 0.229 nan 8.230 nan 0.000 0.457 495 V N -4.282 115.575 119.914 -0.095 0.000 3.578 495 V HA 0.161 4.281 4.120 -0.000 0.000 0.290 495 V C 0.881 176.928 176.094 -0.077 0.000 1.376 495 V CA -0.337 61.919 62.300 -0.074 0.000 1.083 495 V CB -0.115 31.670 31.823 -0.063 0.000 0.911 495 V HN 0.256 nan 8.190 nan 0.000 0.433 496 E N 2.265 122.419 120.200 -0.076 0.000 2.413 496 E HA 0.072 4.422 4.350 -0.000 0.000 0.263 496 E C 0.224 176.784 176.600 -0.067 0.000 1.015 496 E CA -0.388 55.965 56.400 -0.079 0.000 0.916 496 E CB 0.549 30.232 29.700 -0.029 0.000 0.947 496 E HN 0.482 nan 8.360 nan 0.000 0.440 497 K N 5.112 125.463 120.400 -0.081 0.000 2.437 497 K HA 0.045 4.364 4.320 -0.000 0.000 0.277 497 K C -2.269 174.308 176.600 -0.038 0.000 1.073 497 K CA -1.160 55.092 56.287 -0.058 0.000 1.105 497 K CB 0.301 32.768 32.500 -0.054 0.000 0.881 497 K HN 0.271 nan 8.250 nan 0.000 0.475 498 P HA 0.082 nan 4.420 nan 0.000 0.270 498 P C -0.617 176.648 177.300 -0.059 0.000 1.223 498 P CA -0.354 62.711 63.100 -0.058 0.000 0.785 498 P CB 0.573 32.227 31.700 -0.078 0.000 0.923 499 R N 2.353 122.796 120.500 -0.096 0.000 2.863 499 R HA 0.185 4.525 4.340 -0.000 0.000 0.273 499 R C -1.973 174.305 176.300 -0.037 0.000 1.057 499 R CA -1.313 54.721 56.100 -0.110 0.000 1.191 499 R CB -1.534 28.574 30.300 -0.320 0.000 1.104 499 R HN 0.379 nan 8.270 nan 0.000 0.519 500 P HA 0.024 nan 4.420 nan 0.000 0.266 500 P C -0.974 176.328 177.300 0.003 0.000 1.215 500 P CA 0.468 63.590 63.100 0.037 0.000 0.763 500 P CB 0.361 32.122 31.700 0.102 0.000 0.806 501 D N 0.152 120.530 120.400 -0.037 0.000 2.837 501 D HA -0.198 4.442 4.640 -0.000 0.000 0.230 501 D C 0.142 176.375 176.300 -0.112 0.000 1.152 501 D CA 1.516 55.473 54.000 -0.071 0.000 0.736 501 D CB -1.351 39.413 40.800 -0.061 0.000 1.084 501 D HN 0.469 nan 8.370 nan 0.000 0.429 502 A N -0.389 122.355 122.820 -0.127 0.000 2.350 502 A HA 0.729 5.049 4.320 -0.000 0.000 0.318 502 A C 1.161 178.577 177.584 -0.281 0.000 1.132 502 A CA -0.573 51.344 52.037 -0.199 0.000 0.811 502 A CB 1.240 20.150 19.000 -0.150 0.000 1.313 502 A HN 0.107 nan 8.150 nan 0.000 0.454 503 I N -0.761 119.529 120.570 -0.467 0.000 2.617 503 I HA 0.100 4.270 4.170 -0.000 0.000 0.256 503 I C -0.653 175.147 176.117 -0.529 0.000 1.167 503 I CA 0.839 61.757 61.300 -0.636 0.000 1.469 503 I CB -0.067 37.299 38.000 -1.056 0.000 1.098 503 I HN 0.485 nan 8.210 nan 0.000 0.436 504 F N -0.525 119.260 119.950 -0.274 0.000 2.593 504 F HA 0.593 5.119 4.527 -0.000 0.000 0.320 504 F C 0.763 176.450 175.800 -0.190 0.000 1.060 504 F CA -1.333 56.518 58.000 -0.248 0.000 0.940 504 F CB 0.586 39.426 39.000 -0.266 0.000 1.268 504 F HN -0.265 nan 8.300 nan 0.000 0.475 505 G N -0.237 108.610 108.800 0.079 0.000 2.547 505 G HA2 0.245 4.205 3.960 -0.000 0.000 0.291 505 G HA3 0.245 4.205 3.960 -0.000 0.000 0.291 505 G C 0.697 175.597 174.900 -0.000 0.000 1.211 505 G CA -0.284 44.823 45.100 0.011 0.000 0.950 505 G HN 0.772 nan 8.290 nan 0.000 0.504 506 E N -0.810 119.391 120.200 0.002 0.000 2.049 506 E HA -0.207 4.143 4.350 -0.000 0.000 0.198 506 E C 2.354 178.944 176.600 -0.017 0.000 1.007 506 E CA 2.030 58.428 56.400 -0.004 0.000 0.809 506 E CB -0.305 29.407 29.700 0.020 0.000 0.749 506 E HN 0.472 nan 8.360 nan 0.000 0.450 507 T N 1.014 115.567 114.554 -0.003 0.000 2.720 507 T HA -0.239 4.111 4.350 -0.000 0.000 0.268 507 T C 1.743 176.382 174.700 -0.102 0.000 1.037 507 T CA 1.753 63.830 62.100 -0.040 0.000 1.144 507 T CB -0.304 68.569 68.868 0.008 0.000 0.864 507 T HN 0.197 nan 8.240 nan 0.000 0.444 508 M N 1.121 120.645 119.600 -0.127 0.000 2.080 508 M HA -0.061 4.419 4.480 -0.000 0.000 0.260 508 M C 2.108 178.286 176.300 -0.204 0.000 1.068 508 M CA 1.430 56.584 55.300 -0.243 0.000 1.109 508 M CB -0.593 31.704 32.600 -0.505 0.000 1.342 508 M HN 0.079 nan 8.290 nan 0.000 0.405 509 V N 0.074 119.921 119.914 -0.113 0.000 2.379 509 V HA -0.179 3.941 4.120 -0.000 0.000 0.245 509 V C 2.337 178.413 176.094 -0.031 0.000 1.044 509 V CA 1.696 63.983 62.300 -0.023 0.000 1.036 509 V CB -0.850 31.001 31.823 0.046 0.000 0.664 509 V HN 0.415 nan 8.190 nan 0.000 0.453 510 E N 0.022 120.188 120.200 -0.057 0.000 2.208 510 E HA -0.050 4.300 4.350 -0.000 0.000 0.193 510 E C 2.147 178.606 176.600 -0.235 0.000 0.988 510 E CA 0.834 57.197 56.400 -0.063 0.000 0.828 510 E CB -0.032 29.659 29.700 -0.015 0.000 0.763 510 E HN 0.503 nan 8.360 nan 0.000 0.478 511 L N -0.584 120.395 121.223 -0.406 0.000 2.145 511 L HA 0.081 4.421 4.340 -0.000 0.000 0.201 511 L C 2.435 179.081 176.870 -0.374 0.000 1.075 511 L CA 1.151 55.503 54.840 -0.814 0.000 0.773 511 L CB -0.858 40.819 42.059 -0.637 0.000 0.936 511 L HN 0.134 nan 8.230 nan 0.000 0.451 512 G N -0.049 108.718 108.800 -0.056 0.000 2.408 512 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.217 512 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.217 512 G C 1.780 176.789 174.900 0.183 0.000 1.150 512 G CA 0.829 46.063 45.100 0.224 0.000 0.776 512 G HN 0.419 nan 8.290 nan 0.000 0.542 513 A N 1.614 124.472 122.820 0.064 0.000 1.877 513 A HA 0.093 4.413 4.320 -0.000 0.000 0.216 513 A C 0.749 178.343 177.584 0.017 0.000 1.186 513 A CA 1.829 53.918 52.037 0.086 0.000 0.620 513 A CB -1.098 17.952 19.000 0.083 0.000 0.822 513 A HN 0.356 nan 8.150 nan 0.000 0.443 514 P HA -0.135 nan 4.420 nan 0.000 0.215 514 P C 1.187 178.370 177.300 -0.195 0.000 1.157 514 P CA 1.139 64.147 63.100 -0.153 0.000 0.868 514 P CB -0.229 31.347 31.700 -0.207 0.000 0.788 515 F N -0.673 119.151 119.950 -0.210 0.000 2.134 515 F HA -0.160 4.367 4.527 -0.000 0.000 0.299 515 F C 2.752 178.172 175.800 -0.632 0.000 1.097 515 F CA 1.282 58.933 58.000 -0.583 0.000 1.264 515 F CB -0.872 37.379 39.000 -1.248 0.000 1.001 515 F HN -0.042 nan 8.300 nan 0.000 0.479 516 S N 0.710 116.323 115.700 -0.143 0.000 2.345 516 S HA -0.141 4.329 4.470 -0.000 0.000 0.220 516 S C 1.990 176.674 174.600 0.140 0.000 1.031 516 S CA 1.158 59.459 58.200 0.169 0.000 0.996 516 S CB -0.479 62.992 63.200 0.452 0.000 0.882 516 S HN 0.307 nan 8.310 nan 0.000 0.445 517 L N 0.791 122.088 121.223 0.123 0.000 2.141 517 L HA 0.021 4.360 4.340 -0.000 0.000 0.209 517 L C 2.853 179.814 176.870 0.151 0.000 1.094 517 L CA 0.906 55.830 54.840 0.140 0.000 0.763 517 L CB -0.411 41.726 42.059 0.129 0.000 0.908 517 L HN 0.207 nan 8.230 nan 0.000 0.437 518 K N 0.618 121.082 120.400 0.106 0.000 2.097 518 K HA -0.075 4.244 4.320 -0.000 0.000 0.205 518 K C 2.042 178.695 176.600 0.088 0.000 1.050 518 K CA 1.308 57.665 56.287 0.118 0.000 0.938 518 K CB -0.575 31.936 32.500 0.018 0.000 0.718 518 K HN 0.342 nan 8.250 nan 0.000 0.442 519 G N 1.070 109.877 108.800 0.013 0.000 2.440 519 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.218 519 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.218 519 G C 1.432 176.363 174.900 0.052 0.000 1.154 519 G CA 0.481 45.554 45.100 -0.045 0.000 0.767 519 G HN 0.142 nan 8.290 nan 0.000 0.552 520 L N 0.048 121.342 121.223 0.119 0.000 2.049 520 L HA 0.194 4.534 4.340 -0.000 0.000 0.203 520 L C 2.819 179.806 176.870 0.195 0.000 1.074 520 L CA 1.101 56.026 54.840 0.142 0.000 0.749 520 L CB -0.827 41.308 42.059 0.126 0.000 0.907 520 L HN 0.138 nan 8.230 nan 0.000 0.439 521 M N -0.894 118.851 119.600 0.241 0.000 2.447 521 M HA 0.123 4.603 4.480 -0.000 0.000 0.264 521 M C 2.093 178.705 176.300 0.520 0.000 1.095 521 M CA 0.875 56.348 55.300 0.289 0.000 1.125 521 M CB -1.751 30.896 32.600 0.079 0.000 1.389 521 M HN 0.271 nan 8.290 nan 0.000 0.459 522 G N 0.709 109.790 108.800 0.468 0.000 2.559 522 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.216 522 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.216 522 G C 0.860 175.970 174.900 0.350 0.000 1.126 522 G CA -0.028 45.301 45.100 0.383 0.000 0.778 522 G HN 0.431 nan 8.290 nan 0.000 0.543 523 N N 1.069 119.944 118.700 0.293 0.000 2.458 523 N HA 0.047 4.787 4.740 -0.000 0.000 0.258 523 N C -1.064 174.553 175.510 0.179 0.000 1.219 523 N CA -1.265 51.904 53.050 0.198 0.000 0.902 523 N CB 1.941 40.537 38.487 0.181 0.000 1.076 523 N HN -0.049 nan 8.380 nan 0.000 0.455 524 P HA -0.155 nan 4.420 nan 0.000 0.219 524 P C 1.532 178.636 177.300 -0.326 0.000 1.146 524 P CA 1.164 64.134 63.100 -0.217 0.000 0.808 524 P CB -0.151 31.289 31.700 -0.433 0.000 0.779 525 I N -3.027 117.489 120.570 -0.090 0.000 2.700 525 I HA -0.153 4.017 4.170 -0.000 0.000 0.261 525 I C 1.544 177.969 176.117 0.514 0.000 1.219 525 I CA 1.429 62.897 61.300 0.280 0.000 1.463 525 I CB -1.202 37.120 38.000 0.538 0.000 1.092 525 I HN -0.143 nan 8.210 nan 0.000 0.452 526 C N 1.500 120.982 119.300 0.303 0.000 2.618 526 C HA 0.172 4.632 4.460 -0.000 0.000 0.264 526 C C 1.785 176.812 174.990 0.063 0.000 1.334 526 C CA 0.249 59.398 59.018 0.218 0.000 1.731 526 C CB -1.681 26.215 27.740 0.261 0.000 1.852 526 C HN 0.706 nan 8.230 nan 0.000 0.566 527 S N 1.904 117.449 115.700 -0.259 0.000 2.585 527 S HA 0.189 4.659 4.470 -0.000 0.000 0.273 527 S C -1.626 172.900 174.600 -0.123 0.000 1.339 527 S CA -0.603 57.194 58.200 -0.671 0.000 1.028 527 S CB 0.600 63.451 63.200 -0.582 0.000 0.906 527 S HN 0.076 nan 8.310 nan 0.000 0.528 528 P HA -0.134 nan 4.420 nan 0.000 0.216 528 P C 1.438 178.645 177.300 -0.155 0.000 1.150 528 P CA 1.220 63.962 63.100 -0.596 0.000 0.843 528 P CB 0.039 31.305 31.700 -0.723 0.000 0.787 529 Q N -2.444 117.320 119.800 -0.059 0.000 2.378 529 Q HA -0.048 4.292 4.340 -0.000 0.000 0.205 529 Q C 1.825 177.789 176.000 -0.060 0.000 0.954 529 Q CA 1.164 56.937 55.803 -0.050 0.000 0.901 529 Q CB -0.376 28.325 28.738 -0.062 0.000 0.981 529 Q HN 0.470 nan 8.270 nan 0.000 0.483 530 Y N -1.772 118.531 120.300 0.005 0.000 2.389 530 Y HA -0.012 4.538 4.550 -0.000 0.000 0.292 530 Y C 1.149 177.140 175.900 0.151 0.000 1.117 530 Y CA -0.088 58.028 58.100 0.026 0.000 1.195 530 Y CB 0.350 38.861 38.460 0.085 0.000 1.076 530 Y HN 0.168 nan 8.280 nan 0.000 0.548 531 W N 5.010 126.485 121.300 0.292 0.000 1.836 531 W HA 0.228 4.888 4.660 -0.000 0.000 0.449 531 W C -0.730 175.940 176.519 0.252 0.000 0.787 531 W CA 0.143 57.752 57.345 0.441 0.000 1.729 531 W CB -0.519 29.262 29.460 0.535 0.000 1.802 531 W HN 0.083 nan 8.180 nan 0.000 0.257 532 K N 2.901 123.179 120.400 -0.204 0.000 2.575 532 K HA 0.379 4.699 4.320 -0.000 0.000 0.279 532 K C -2.623 173.531 176.600 -0.743 0.000 0.969 532 K CA -1.503 54.486 56.287 -0.497 0.000 0.868 532 K CB 1.489 33.863 32.500 -0.209 0.000 1.457 532 K HN -0.285 nan 8.250 nan 0.000 0.426 533 P HA -0.264 nan 4.420 nan 0.000 0.216 533 P C 1.190 178.359 177.300 -0.218 0.000 1.150 533 P CA 1.981 64.704 63.100 -0.628 0.000 0.843 533 P CB 0.019 31.528 31.700 -0.318 0.000 0.787 534 S N -2.243 113.339 115.700 -0.197 0.000 2.447 534 S HA -0.102 4.368 4.470 -0.000 0.000 0.233 534 S C 1.789 176.294 174.600 -0.159 0.000 1.006 534 S CA 1.554 59.691 58.200 -0.105 0.000 0.957 534 S CB -1.829 61.315 63.200 -0.095 0.000 0.773 534 S HN 0.127 nan 8.310 nan 0.000 0.507 535 T N 1.416 115.762 114.554 -0.348 0.000 2.833 535 T HA 0.084 4.434 4.350 -0.000 0.000 0.269 535 T C 0.567 174.923 174.700 -0.574 0.000 1.054 535 T CA 1.081 62.827 62.100 -0.591 0.000 1.135 535 T CB -0.423 67.856 68.868 -0.981 0.000 0.869 535 T HN 0.615 nan 8.240 nan 0.000 0.466 536 F N 0.076 120.039 119.950 0.023 0.000 2.668 536 F HA 0.476 5.003 4.527 -0.000 0.000 0.301 536 F C 1.628 177.524 175.800 0.160 0.000 1.106 536 F CA -0.414 57.654 58.000 0.112 0.000 1.289 536 F CB 0.360 39.447 39.000 0.145 0.000 1.006 536 F HN 0.204 nan 8.300 nan 0.000 0.535 537 G N 0.195 109.163 108.800 0.280 0.000 2.141 537 G HA2 0.124 4.084 3.960 -0.000 0.000 0.242 537 G HA3 0.124 4.084 3.960 -0.000 0.000 0.242 537 G C 0.580 175.640 174.900 0.267 0.000 0.982 537 G CA -0.105 45.181 45.100 0.311 0.000 0.662 537 G HN 1.187 nan 8.290 nan 0.000 0.527 538 G N -1.155 107.751 108.800 0.176 0.000 2.483 538 G HA2 0.202 4.161 3.960 -0.000 0.000 0.521 538 G HA3 0.202 4.161 3.960 -0.000 0.000 0.521 538 G C 0.390 175.371 174.900 0.135 0.000 1.278 538 G CA 0.528 45.695 45.100 0.112 0.000 0.965 538 G HN 0.558 nan 8.290 nan 0.000 0.504 539 E N -0.592 119.671 120.200 0.104 0.000 2.150 539 E HA -0.067 4.283 4.350 -0.000 0.000 0.193 539 E C 2.818 179.506 176.600 0.148 0.000 0.985 539 E CA 1.488 57.980 56.400 0.154 0.000 0.814 539 E CB -0.228 29.530 29.700 0.097 0.000 0.752 539 E HN 0.422 nan 8.360 nan 0.000 0.466 540 V N 0.877 120.846 119.914 0.093 0.000 2.307 540 V HA -0.153 3.966 4.120 -0.000 0.000 0.245 540 V C 2.446 178.600 176.094 0.100 0.000 1.045 540 V CA 2.005 64.344 62.300 0.065 0.000 1.024 540 V CB -1.047 30.787 31.823 0.018 0.000 0.651 540 V HN 0.319 nan 8.190 nan 0.000 0.449 541 G N -1.093 107.799 108.800 0.153 0.000 2.422 541 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.218 541 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.218 541 G C 1.536 176.557 174.900 0.200 0.000 1.146 541 G CA 0.707 45.925 45.100 0.197 0.000 0.769 541 G HN 0.418 nan 8.290 nan 0.000 0.547 542 F N 1.473 121.427 119.950 0.006 0.000 2.146 542 F HA 0.085 4.612 4.527 -0.000 0.000 0.298 542 F C 2.492 178.212 175.800 -0.134 0.000 1.096 542 F CA 1.441 59.352 58.000 -0.148 0.000 1.275 542 F CB -0.214 38.727 39.000 -0.099 0.000 1.008 542 F HN 0.156 nan 8.300 nan 0.000 0.480 543 K N 0.446 120.836 120.400 -0.017 0.000 2.097 543 K HA -0.148 4.172 4.320 -0.000 0.000 0.205 543 K C 2.193 178.754 176.600 -0.066 0.000 1.050 543 K CA 1.614 57.847 56.287 -0.090 0.000 0.938 543 K CB -0.319 32.169 32.500 -0.020 0.000 0.718 543 K HN 0.321 nan 8.250 nan 0.000 0.442 544 I N 1.140 121.702 120.570 -0.014 0.000 2.194 544 I HA -0.337 3.833 4.170 -0.000 0.000 0.246 544 I C 2.180 178.305 176.117 0.013 0.000 1.093 544 I CA 1.348 62.655 61.300 0.012 0.000 1.355 544 I CB -0.221 37.808 38.000 0.048 0.000 1.046 544 I HN 0.223 nan 8.210 nan 0.000 0.413 545 I N 0.416 120.969 120.570 -0.030 0.000 2.193 545 I HA -0.246 3.924 4.170 -0.000 0.000 0.240 545 I C 2.016 178.163 176.117 0.051 0.000 1.084 545 I CA 1.234 62.544 61.300 0.017 0.000 1.365 545 I CB -0.479 37.474 38.000 -0.079 0.000 1.064 545 I HN 0.265 nan 8.210 nan 0.000 0.410 546 N N 0.391 119.038 118.700 -0.089 0.000 2.459 546 N HA -0.090 4.649 4.740 -0.000 0.000 0.181 546 N C 1.531 177.037 175.510 -0.007 0.000 1.046 546 N CA 1.636 54.651 53.050 -0.058 0.000 0.904 546 N CB -0.175 38.160 38.487 -0.253 0.000 0.964 546 N HN 0.464 nan 8.380 nan 0.000 0.444 547 T N -2.988 111.560 114.554 -0.011 0.000 3.092 547 T HA 0.469 4.819 4.350 -0.000 0.000 0.258 547 T C 0.623 175.334 174.700 0.018 0.000 1.031 547 T CA -0.533 61.568 62.100 0.002 0.000 0.925 547 T CB 0.215 69.075 68.868 -0.012 0.000 1.036 547 T HN 0.090 nan 8.240 nan 0.000 0.544 548 A N 1.971 124.818 122.820 0.046 0.000 2.462 548 A HA 0.625 4.945 4.320 -0.000 0.000 0.243 548 A C 0.638 178.243 177.584 0.035 0.000 1.076 548 A CA -0.230 51.837 52.037 0.051 0.000 0.773 548 A CB 0.072 19.136 19.000 0.106 0.000 1.010 548 A HN 0.884 nan 8.150 nan 0.000 0.493 549 S N 1.261 116.957 115.700 -0.007 0.000 2.638 549 S HA 0.485 4.955 4.470 -0.000 0.000 0.274 549 S C 0.479 175.018 174.600 -0.101 0.000 1.157 549 S CA -0.203 57.971 58.200 -0.043 0.000 0.826 549 S CB 0.642 63.803 63.200 -0.064 0.000 1.139 549 S HN 0.954 nan 8.310 nan 0.000 0.474 550 I N 1.161 121.621 120.570 -0.182 0.000 2.286 550 I HA -0.066 4.103 4.170 -0.000 0.000 0.248 550 I C 2.470 178.419 176.117 -0.280 0.000 1.115 550 I CA 1.904 63.031 61.300 -0.289 0.000 1.392 550 I CB -0.635 36.975 38.000 -0.650 0.000 1.065 550 I HN 0.911 nan 8.210 nan 0.000 0.418 551 Q N 0.434 120.070 119.800 -0.273 0.000 2.046 551 Q HA -0.185 4.155 4.340 -0.000 0.000 0.200 551 Q C 2.460 178.357 176.000 -0.173 0.000 0.975 551 Q CA 2.542 58.195 55.803 -0.250 0.000 0.836 551 Q CB -0.536 28.066 28.738 -0.226 0.000 0.896 551 Q HN 0.664 nan 8.270 nan 0.000 0.428 552 S N -0.457 115.163 115.700 -0.133 0.000 2.383 552 S HA -0.138 4.332 4.470 -0.000 0.000 0.227 552 S C 1.901 176.424 174.600 -0.128 0.000 1.026 552 S CA 1.013 59.151 58.200 -0.104 0.000 0.981 552 S CB -0.621 62.537 63.200 -0.069 0.000 0.818 552 S HN 0.418 nan 8.310 nan 0.000 0.472 553 L N 0.798 121.923 121.223 -0.163 0.000 2.042 553 L HA 0.006 4.346 4.340 -0.000 0.000 0.210 553 L C 2.100 178.834 176.870 -0.227 0.000 1.076 553 L CA 1.642 56.337 54.840 -0.241 0.000 0.749 553 L CB -0.659 41.194 42.059 -0.343 0.000 0.893 553 L HN 0.276 nan 8.230 nan 0.000 0.432 554 I N -1.357 119.097 120.570 -0.194 0.000 2.233 554 I HA -0.226 3.944 4.170 -0.000 0.000 0.243 554 I C 2.714 178.747 176.117 -0.140 0.000 1.093 554 I CA 1.219 62.416 61.300 -0.171 0.000 1.380 554 I CB -1.117 36.783 38.000 -0.166 0.000 1.067 554 I HN 0.456 nan 8.210 nan 0.000 0.413 555 c N 1.275 119.801 118.600 -0.124 0.000 2.413 555 c HA -0.183 4.387 4.570 -0.000 0.000 0.276 555 c C 2.681 176.719 174.090 -0.086 0.000 1.248 555 c CA 1.295 57.569 56.329 -0.091 0.000 1.742 555 c CB -1.285 41.179 42.510 -0.075 0.000 2.017 555 c HN 0.523 nan 8.230 nan 0.000 0.481 556 N N 0.937 119.579 118.700 -0.096 0.000 2.409 556 N HA -0.009 4.731 4.740 -0.000 0.000 0.179 556 N C 1.069 176.520 175.510 -0.100 0.000 1.032 556 N CA 0.947 53.945 53.050 -0.087 0.000 0.898 556 N CB -0.426 38.012 38.487 -0.082 0.000 0.971 556 N HN 0.668 nan 8.380 nan 0.000 0.441 557 N N -0.374 118.251 118.700 -0.125 0.000 2.181 557 N HA 0.102 4.842 4.740 -0.000 0.000 0.207 557 N C -0.570 174.850 175.510 -0.150 0.000 1.182 557 N CA 0.132 53.096 53.050 -0.143 0.000 0.893 557 N CB 1.947 40.331 38.487 -0.173 0.000 1.032 557 N HN -0.097 nan 8.380 nan 0.000 0.513 558 V N 1.669 121.505 119.914 -0.131 0.000 2.495 558 V HA 0.229 4.348 4.120 -0.000 0.000 0.298 558 V C 0.397 176.438 176.094 -0.088 0.000 1.031 558 V CA -1.155 61.072 62.300 -0.122 0.000 0.871 558 V CB 2.642 34.394 31.823 -0.119 0.000 0.988 558 V HN -0.045 nan 8.190 nan 0.000 0.432 559 K N 2.611 122.963 120.400 -0.080 0.000 2.484 559 K HA 0.319 4.639 4.320 -0.000 0.000 0.280 559 K C 1.222 177.800 176.600 -0.036 0.000 1.013 559 K CA 1.255 57.508 56.287 -0.055 0.000 1.029 559 K CB 0.191 32.662 32.500 -0.047 0.000 0.902 559 K HN 1.171 nan 8.250 nan 0.000 0.481 560 G N 2.889 111.672 108.800 -0.029 0.000 2.176 560 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.253 560 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.253 560 G C 0.396 175.287 174.900 -0.014 0.000 0.979 560 G CA -0.092 44.998 45.100 -0.016 0.000 0.641 560 G HN 1.120 nan 8.290 nan 0.000 0.530 561 c N 0.907 119.490 118.600 -0.028 0.000 3.727 561 c HA -0.088 4.482 4.570 -0.000 0.000 0.293 561 c C -0.301 173.785 174.090 -0.007 0.000 1.339 561 c CA -0.049 56.262 56.329 -0.030 0.000 2.150 561 c CB -1.805 40.690 42.510 -0.025 0.000 1.383 561 c HN 0.832 nan 8.230 nan 0.000 0.614 562 P HA 0.203 nan 4.420 nan 0.000 0.269 562 P C -0.027 177.299 177.300 0.044 0.000 1.209 562 P CA -0.003 63.117 63.100 0.032 0.000 0.776 562 P CB 0.364 32.074 31.700 0.017 0.000 0.876 563 F N 2.333 122.263 119.950 -0.033 0.000 2.572 563 F HA 0.255 4.782 4.527 -0.000 0.000 0.370 563 F C 0.507 176.284 175.800 -0.039 0.000 1.103 563 F CA 1.162 59.139 58.000 -0.038 0.000 1.286 563 F CB 0.488 39.470 39.000 -0.031 0.000 1.105 563 F HN 0.317 nan 8.300 nan 0.000 0.583 564 T N 3.899 117.859 114.554 -0.990 0.000 2.841 564 T HA 0.648 4.998 4.350 -0.000 0.000 0.296 564 T C -1.391 172.686 174.700 -1.038 0.000 1.166 564 T CA -0.313 61.322 62.100 -0.775 0.000 1.007 564 T CB 1.450 70.109 68.868 -0.348 0.000 1.253 564 T HN 0.877 nan 8.240 nan 0.000 0.511 565 S N 0.228 115.587 115.700 -0.569 0.000 2.597 565 S HA 0.437 4.907 4.470 -0.000 0.000 0.274 565 S C -0.652 173.802 174.600 -0.243 0.000 1.132 565 S CA -0.608 57.330 58.200 -0.437 0.000 0.835 565 S CB 0.424 63.505 63.200 -0.198 0.000 1.092 565 S HN 0.647 nan 8.310 nan 0.000 0.457 566 F N 1.952 121.815 119.950 -0.144 0.000 2.780 566 F HA 0.182 4.709 4.527 -0.000 0.000 0.299 566 F C 1.115 176.672 175.800 -0.404 0.000 1.146 566 F CA -0.002 57.893 58.000 -0.175 0.000 1.428 566 F CB 0.142 39.030 39.000 -0.187 0.000 1.115 566 F HN 0.658 nan 8.300 nan 0.000 0.583 567 N N -1.594 117.009 118.700 -0.162 0.000 2.328 567 N HA 0.427 5.167 4.740 -0.000 0.000 0.299 567 N C -1.176 174.352 175.510 0.029 0.000 1.179 567 N CA -0.808 52.162 53.050 -0.132 0.000 0.793 567 N CB 1.420 39.829 38.487 -0.129 0.000 1.366 567 N HN -0.277 nan 8.380 nan 0.000 0.493 568 V N 1.361 121.299 119.914 0.040 0.000 2.637 568 V HA 0.063 4.183 4.120 -0.000 0.000 0.296 568 V C 0.451 176.583 176.094 0.064 0.000 1.046 568 V CA -0.190 62.151 62.300 0.069 0.000 1.066 568 V CB 0.787 32.642 31.823 0.053 0.000 0.968 568 V HN 0.670 nan 8.190 nan 0.000 0.483 569 Q N 0.000 119.842 119.800 0.071 0.000 2.315 569 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 569 Q CA 0.000 55.816 55.803 0.021 0.000 1.022 569 Q CB 0.000 28.712 28.738 -0.043 0.000 1.108 569 Q HN 0.000 nan 8.270 nan 0.000 0.481