REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 3ln0_1_B 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 0.000 177.628 177.584 0.074 0.000 1.274 18 A CA 0.000 52.077 52.037 0.066 0.000 0.836 18 A CB 0.000 19.047 19.000 0.079 0.000 0.831 19 N N 2.583 121.316 118.700 0.055 0.000 2.414 19 N HA 0.103 4.843 4.740 0.001 0.000 0.268 19 N C -1.644 173.884 175.510 0.030 0.000 1.286 19 N CA -0.630 52.444 53.050 0.042 0.000 0.896 19 N CB 1.155 39.656 38.487 0.023 0.000 1.093 19 N HN 0.263 nan 8.380 nan 0.000 0.480 20 P HA 0.000 nan 4.420 nan 0.000 0.239 20 P C 0.452 177.725 177.300 -0.044 0.000 1.184 20 P CA 0.503 63.642 63.100 0.065 0.000 0.760 20 P CB 0.048 31.845 31.700 0.161 0.000 0.884 21 c N -1.682 116.875 118.600 -0.073 0.000 2.906 21 c HA 0.156 4.726 4.570 0.001 0.000 0.274 21 c C 2.596 176.599 174.090 -0.144 0.000 1.257 21 c CA -0.194 56.032 56.329 -0.171 0.000 1.695 21 c CB -2.036 40.411 42.510 -0.104 0.000 1.958 21 c HN 0.334 nan 8.230 nan 0.000 0.619 22 c N 1.477 120.024 118.600 -0.088 0.000 2.410 22 c HA -0.095 4.475 4.570 0.001 0.000 0.281 22 c C 2.885 176.928 174.090 -0.077 0.000 1.318 22 c CA 2.021 58.313 56.329 -0.061 0.000 1.776 22 c CB -1.304 41.192 42.510 -0.023 0.000 1.942 22 c HN 0.821 nan 8.230 nan 0.000 0.508 23 S N 0.318 115.951 115.700 -0.111 0.000 2.562 23 S HA -0.015 4.456 4.470 0.001 0.000 0.221 23 S C 0.423 174.943 174.600 -0.135 0.000 0.975 23 S CA 0.410 58.546 58.200 -0.106 0.000 0.918 23 S CB -0.526 62.614 63.200 -0.101 0.000 0.772 23 S HN 0.675 nan 8.310 nan 0.000 0.531 24 N N 1.211 119.808 118.700 -0.171 0.000 2.727 24 N HA -0.087 4.654 4.740 0.001 0.000 0.251 24 N C -2.245 173.150 175.510 -0.193 0.000 1.040 24 N CA 0.942 53.886 53.050 -0.176 0.000 0.712 24 N CB -1.875 36.526 38.487 -0.143 0.000 0.912 24 N HN 0.410 nan 8.380 nan 0.000 0.545 25 P HA -0.041 nan 4.420 nan 0.000 0.217 25 P C 0.364 177.574 177.300 -0.150 0.000 1.150 25 P CA 0.955 63.886 63.100 -0.282 0.000 0.832 25 P CB 0.248 31.512 31.700 -0.725 0.000 0.787 26 c N 1.664 120.180 118.600 -0.140 0.000 2.415 26 c HA 0.344 4.915 4.570 0.001 0.000 0.369 26 c C 0.595 174.623 174.090 -0.103 0.000 1.279 26 c CA -0.710 55.578 56.329 -0.068 0.000 1.886 26 c CB -0.439 42.053 42.510 -0.031 0.000 2.468 26 c HN 0.234 nan 8.230 nan 0.000 0.553 27 Q N 1.705 121.432 119.800 -0.122 0.000 2.195 27 Q HA 0.347 4.687 4.340 0.001 0.000 0.250 27 Q C 0.290 176.148 176.000 -0.237 0.000 0.988 27 Q CA -0.430 55.261 55.803 -0.186 0.000 0.911 27 Q CB 0.551 29.154 28.738 -0.225 0.000 1.258 27 Q HN 0.776 nan 8.270 nan 0.000 0.475 28 N N 1.167 119.698 118.700 -0.281 0.000 2.725 28 N HA -0.220 4.521 4.740 0.001 0.000 0.249 28 N C -0.585 174.844 175.510 -0.135 0.000 1.103 28 N CA 0.915 53.786 53.050 -0.298 0.000 0.707 28 N CB -0.378 37.694 38.487 -0.693 0.000 1.043 28 N HN 0.671 nan 8.380 nan 0.000 0.553 29 R N -4.145 116.289 120.500 -0.110 0.000 3.804 29 R HA -0.120 4.221 4.340 0.001 0.000 0.459 29 R C 0.871 177.159 176.300 -0.021 0.000 1.009 29 R CA 1.123 57.186 56.100 -0.061 0.000 1.210 29 R CB -2.232 28.045 30.300 -0.038 0.000 1.860 29 R HN 0.441 nan 8.270 nan 0.000 0.526 30 G N 1.330 110.113 108.800 -0.029 0.000 2.491 30 G HA2 0.233 4.194 3.960 0.001 0.000 0.238 30 G HA3 0.233 4.194 3.960 0.001 0.000 0.238 30 G C -0.016 174.891 174.900 0.012 0.000 1.277 30 G CA -0.223 44.882 45.100 0.008 0.000 0.851 30 G HN 0.201 nan 8.290 nan 0.000 0.573 31 E N 0.054 120.280 120.200 0.044 0.000 2.175 31 E HA 0.280 4.630 4.350 0.001 0.000 0.278 31 E C -0.670 175.964 176.600 0.056 0.000 0.969 31 E CA -0.636 55.797 56.400 0.056 0.000 0.796 31 E CB 1.968 31.725 29.700 0.095 0.000 1.104 31 E HN 0.382 nan 8.360 nan 0.000 0.395 32 c N 4.701 123.318 118.600 0.028 0.000 2.388 32 c HA 0.582 5.152 4.570 0.001 0.000 0.362 32 c C -0.209 173.916 174.090 0.058 0.000 1.266 32 c CA -0.323 56.028 56.329 0.036 0.000 2.028 32 c CB -0.503 41.968 42.510 -0.065 0.000 2.440 32 c HN 0.813 nan 8.230 nan 0.000 0.547 33 M N 5.624 125.281 119.600 0.094 0.000 2.386 33 M HA 0.422 4.903 4.480 0.001 0.000 0.293 33 M C -0.051 176.300 176.300 0.086 0.000 1.120 33 M CA -0.092 55.249 55.300 0.069 0.000 0.909 33 M CB 2.124 34.757 32.600 0.055 0.000 1.661 33 M HN 0.794 nan 8.290 nan 0.000 0.452 34 S N 2.153 117.879 115.700 0.044 0.000 2.564 34 S HA 0.392 4.862 4.470 0.001 0.000 0.278 34 S C 0.313 174.912 174.600 -0.002 0.000 1.333 34 S CA 0.078 58.301 58.200 0.038 0.000 1.048 34 S CB 0.581 63.774 63.200 -0.012 0.000 0.900 34 S HN 0.764 nan 8.310 nan 0.000 0.505 35 T N -1.178 113.376 114.554 -0.001 0.000 3.483 35 T HA 0.653 5.003 4.350 0.001 0.000 0.258 35 T C 0.430 175.103 174.700 -0.046 0.000 1.013 35 T CA -0.124 61.957 62.100 -0.031 0.000 1.078 35 T CB -0.567 68.286 68.868 -0.024 0.000 1.111 35 T HN 1.791 nan 8.240 nan 0.000 0.538 36 G N 0.366 109.111 108.800 -0.092 0.000 2.340 36 G HA2 0.155 4.115 3.960 0.001 0.000 0.527 36 G HA3 0.155 4.115 3.960 0.001 0.000 0.527 36 G C -0.280 174.566 174.900 -0.090 0.000 1.381 36 G CA -0.829 44.211 45.100 -0.100 0.000 1.001 36 G HN 0.085 nan 8.290 nan 0.000 0.626 37 F N -0.072 119.890 119.950 0.019 0.000 2.333 37 F HA 0.104 4.631 4.527 0.001 0.000 0.300 37 F C 1.917 177.736 175.800 0.033 0.000 1.083 37 F CA 1.857 59.871 58.000 0.023 0.000 1.395 37 F CB 0.353 39.363 39.000 0.017 0.000 1.056 37 F HN 0.352 nan 8.300 nan 0.000 0.529 38 D N -1.285 119.234 120.400 0.198 0.000 2.602 38 D HA 0.124 4.764 4.640 0.001 0.000 0.265 38 D C -0.238 176.134 176.300 0.119 0.000 1.454 38 D CA 0.179 54.267 54.000 0.146 0.000 0.795 38 D CB 0.435 41.311 40.800 0.126 0.000 1.140 38 D HN 0.234 nan 8.370 nan 0.000 0.486 39 Q N 0.212 120.070 119.800 0.097 0.000 2.387 39 Q HA 0.572 4.912 4.340 0.001 0.000 0.273 39 Q C -0.846 175.219 176.000 0.109 0.000 1.089 39 Q CA -0.914 54.922 55.803 0.055 0.000 0.824 39 Q CB 2.255 30.986 28.738 -0.011 0.000 1.367 39 Q HN 0.183 nan 8.270 nan 0.000 0.443 40 Y N -1.738 118.563 120.300 0.003 0.000 2.638 40 Y HA 0.859 5.410 4.550 0.001 0.000 0.339 40 Y C -1.337 174.563 175.900 -0.000 0.000 1.084 40 Y CA -1.339 56.759 58.100 -0.004 0.000 1.068 40 Y CB 1.715 40.173 38.460 -0.003 0.000 1.294 40 Y HN 0.581 nan 8.280 nan 0.000 0.480 41 K N 1.056 121.558 120.400 0.170 0.000 2.498 41 K HA 0.743 5.064 4.320 0.001 0.000 0.254 41 K C -2.170 174.556 176.600 0.210 0.000 0.933 41 K CA -0.372 55.960 56.287 0.075 0.000 0.806 41 K CB 1.927 34.434 32.500 0.012 0.000 1.301 41 K HN 0.947 nan 8.250 nan 0.000 0.432 42 c N 2.471 121.177 118.600 0.177 0.000 2.319 42 c HA 0.421 4.991 4.570 0.001 0.000 0.335 42 c C -0.788 173.360 174.090 0.097 0.000 1.274 42 c CA -0.605 55.813 56.329 0.149 0.000 1.806 42 c CB 0.602 43.204 42.510 0.154 0.000 2.329 42 c HN 0.813 nan 8.230 nan 0.000 0.524 43 D N 1.651 122.101 120.400 0.083 0.000 2.396 43 D HA 0.258 4.899 4.640 0.001 0.000 0.225 43 D C 0.212 176.556 176.300 0.074 0.000 1.121 43 D CA -0.325 53.718 54.000 0.071 0.000 0.853 43 D CB 0.712 41.550 40.800 0.063 0.000 1.043 43 D HN 0.633 nan 8.370 nan 0.000 0.500 44 c N 2.925 121.578 118.600 0.088 0.000 2.693 44 c HA 0.178 4.748 4.570 0.001 0.000 0.286 44 c C 0.762 174.915 174.090 0.106 0.000 1.277 44 c CA -0.368 56.026 56.329 0.108 0.000 1.705 44 c CB -1.520 41.081 42.510 0.152 0.000 1.879 44 c HN 0.553 nan 8.230 nan 0.000 0.607 45 T N 1.806 116.407 114.554 0.079 0.000 2.800 45 T HA 0.008 4.358 4.350 0.001 0.000 0.283 45 T C 0.992 175.732 174.700 0.066 0.000 0.999 45 T CA 0.758 62.896 62.100 0.064 0.000 1.176 45 T CB -0.076 68.818 68.868 0.045 0.000 0.973 45 T HN 0.633 nan 8.240 nan 0.000 0.519 46 R N 0.188 120.728 120.500 0.067 0.000 3.953 46 R HA -0.231 4.109 4.340 0.001 0.000 0.340 46 R C 1.725 178.076 176.300 0.086 0.000 1.195 46 R CA 1.246 57.382 56.100 0.061 0.000 0.929 46 R CB -2.228 28.097 30.300 0.040 0.000 1.402 46 R HN 0.930 nan 8.270 nan 0.000 0.540 47 T N -4.708 109.923 114.554 0.129 0.000 3.043 47 T HA 0.192 4.543 4.350 0.001 0.000 0.263 47 T C 1.532 176.405 174.700 0.289 0.000 1.094 47 T CA 1.044 63.261 62.100 0.194 0.000 1.127 47 T CB 0.626 69.620 68.868 0.210 0.000 0.905 47 T HN 0.693 nan 8.240 nan 0.000 0.490 48 G N 0.586 109.494 108.800 0.181 0.000 2.175 48 G HA2 -0.123 3.838 3.960 0.001 0.000 0.244 48 G HA3 -0.123 3.838 3.960 0.001 0.000 0.244 48 G C -0.141 174.631 174.900 -0.213 0.000 0.982 48 G CA -0.027 45.066 45.100 -0.011 0.000 0.641 48 G HN 0.554 nan 8.290 nan 0.000 0.527 49 F N -0.567 119.422 119.950 0.065 0.000 2.640 49 F HA 0.831 5.358 4.527 0.001 0.000 0.324 49 F C 0.283 176.158 175.800 0.126 0.000 1.077 49 F CA -1.178 56.835 58.000 0.022 0.000 0.965 49 F CB 1.281 40.245 39.000 -0.060 0.000 1.351 49 F HN 0.246 nan 8.300 nan 0.000 0.487 50 Y N -1.329 119.103 120.300 0.220 0.000 2.889 50 Y HA 0.935 5.485 4.550 0.001 0.000 0.317 50 Y C 0.023 175.994 175.900 0.119 0.000 1.414 50 Y CA -1.755 56.424 58.100 0.131 0.000 1.091 50 Y CB 1.070 39.577 38.460 0.078 0.000 1.358 50 Y HN 1.074 nan 8.280 nan 0.000 0.487 51 G N 0.092 109.048 108.800 0.259 0.000 2.612 51 G HA2 -0.186 3.774 3.960 0.001 0.000 0.686 51 G HA3 -0.186 3.774 3.960 0.001 0.000 0.686 51 G C 0.165 175.122 174.900 0.096 0.000 1.274 51 G CA -0.108 45.070 45.100 0.130 0.000 0.849 51 G HN 1.145 nan 8.290 nan 0.000 0.595 52 E N -0.334 119.906 120.200 0.066 0.000 2.130 52 E HA -0.177 4.174 4.350 0.001 0.000 0.196 52 E C 1.332 177.991 176.600 0.098 0.000 0.998 52 E CA 1.630 58.060 56.400 0.051 0.000 0.806 52 E CB -0.089 29.622 29.700 0.018 0.000 0.738 52 E HN 0.417 nan 8.360 nan 0.000 0.459 53 N N -0.935 117.815 118.700 0.084 0.000 2.238 53 N HA 0.089 4.830 4.740 0.001 0.000 0.235 53 N C -0.605 174.909 175.510 0.007 0.000 1.209 53 N CA 0.386 53.483 53.050 0.079 0.000 0.879 53 N CB 0.740 39.265 38.487 0.062 0.000 1.136 53 N HN 0.121 nan 8.380 nan 0.000 0.517 54 c N 0.871 119.486 118.600 0.025 0.000 4.350 54 c HA -0.121 4.449 4.570 0.001 0.000 0.302 54 c C 1.811 175.838 174.090 -0.105 0.000 1.390 54 c CA 1.228 57.566 56.329 0.014 0.000 2.016 54 c CB -3.121 39.389 42.510 0.002 0.000 1.271 54 c HN 0.608 nan 8.230 nan 0.000 0.760 55 T N -4.828 109.682 114.554 -0.073 0.000 3.023 55 T HA 0.189 4.539 4.350 0.001 0.000 0.253 55 T C 0.294 175.031 174.700 0.062 0.000 1.038 55 T CA 0.590 62.630 62.100 -0.101 0.000 0.962 55 T CB 0.190 69.007 68.868 -0.084 0.000 1.018 55 T HN 0.556 nan 8.240 nan 0.000 0.521 56 T N 5.794 120.326 114.554 -0.038 0.000 2.727 56 T HA 0.420 4.770 4.350 0.001 0.000 0.298 56 T C -2.721 171.788 174.700 -0.318 0.000 0.942 56 T CA -1.297 60.645 62.100 -0.264 0.000 0.997 56 T CB 1.310 69.765 68.868 -0.688 0.000 0.917 56 T HN 0.214 nan 8.240 nan 0.000 0.487 57 P HA 0.253 nan 4.420 nan 0.000 0.279 57 P C -0.211 176.942 177.300 -0.244 0.000 1.239 57 P CA -0.519 62.279 63.100 -0.503 0.000 0.789 57 P CB 1.073 32.530 31.700 -0.404 0.000 0.933 58 E N 1.078 121.155 120.200 -0.205 0.000 2.373 58 E HA 0.040 4.391 4.350 0.001 0.000 0.263 58 E C 0.802 177.409 176.600 0.012 0.000 1.073 58 E CA -0.390 56.051 56.400 0.068 0.000 0.894 58 E CB 0.202 29.935 29.700 0.055 0.000 1.008 58 E HN 0.364 nan 8.360 nan 0.000 0.420 59 F N 2.500 122.440 119.950 -0.017 0.000 2.032 59 F HA -0.295 4.232 4.527 0.001 0.000 0.297 59 F C 1.833 177.598 175.800 -0.058 0.000 1.125 59 F CA 1.922 59.904 58.000 -0.031 0.000 1.202 59 F CB -0.405 38.586 39.000 -0.016 0.000 0.958 59 F HN 0.484 nan 8.300 nan 0.000 0.491 60 L N 0.239 121.344 121.223 -0.198 0.000 2.191 60 L HA -0.142 4.198 4.340 0.001 0.000 0.212 60 L C 2.071 178.767 176.870 -0.289 0.000 1.103 60 L CA 2.480 57.136 54.840 -0.307 0.000 0.769 60 L CB -1.394 40.617 42.059 -0.081 0.000 0.908 60 L HN 0.283 nan 8.230 nan 0.000 0.438 61 T N -0.093 114.304 114.554 -0.261 0.000 2.821 61 T HA -0.134 4.217 4.350 0.001 0.000 0.267 61 T C 1.879 176.410 174.700 -0.280 0.000 1.046 61 T CA 1.656 63.573 62.100 -0.304 0.000 1.139 61 T CB -0.184 68.371 68.868 -0.523 0.000 0.871 61 T HN 0.473 nan 8.240 nan 0.000 0.454 62 R N 0.453 120.779 120.500 -0.289 0.000 2.075 62 R HA 0.012 4.352 4.340 0.001 0.000 0.232 62 R C 2.205 178.371 176.300 -0.224 0.000 1.126 62 R CA 1.006 56.974 56.100 -0.220 0.000 0.963 62 R CB -0.686 29.503 30.300 -0.185 0.000 0.858 62 R HN 0.298 nan 8.270 nan 0.000 0.435 63 I N 1.869 122.236 120.570 -0.337 0.000 2.076 63 I HA -0.294 3.876 4.170 0.001 0.000 0.237 63 I C 2.205 178.220 176.117 -0.171 0.000 1.059 63 I CA 1.695 62.828 61.300 -0.277 0.000 1.317 63 I CB -0.429 37.362 38.000 -0.349 0.000 1.037 63 I HN 0.028 nan 8.210 nan 0.000 0.398 64 K N 0.131 120.432 120.400 -0.165 0.000 2.113 64 K HA -0.186 4.135 4.320 0.001 0.000 0.208 64 K C 2.093 178.651 176.600 -0.070 0.000 1.047 64 K CA 1.426 57.649 56.287 -0.107 0.000 0.928 64 K CB -0.441 31.995 32.500 -0.106 0.000 0.716 64 K HN 0.304 nan 8.250 nan 0.000 0.446 65 L N 0.276 121.456 121.223 -0.071 0.000 2.093 65 L HA -0.194 4.146 4.340 0.001 0.000 0.208 65 L C 2.112 178.966 176.870 -0.026 0.000 1.085 65 L CA 0.607 55.431 54.840 -0.026 0.000 0.755 65 L CB -0.332 41.721 42.059 -0.009 0.000 0.904 65 L HN 0.127 nan 8.230 nan 0.000 0.435 66 L N -0.830 120.364 121.223 -0.049 0.000 2.056 66 L HA -0.169 4.172 4.340 0.001 0.000 0.207 66 L C 1.887 178.736 176.870 -0.035 0.000 1.078 66 L CA 1.478 56.294 54.840 -0.041 0.000 0.749 66 L CB -0.574 41.453 42.059 -0.053 0.000 0.901 66 L HN 0.159 nan 8.230 nan 0.000 0.433 67 L N -0.866 120.331 121.223 -0.044 0.000 2.612 67 L HA 0.093 4.434 4.340 0.001 0.000 0.230 67 L C 0.876 177.731 176.870 -0.024 0.000 1.140 67 L CA 0.448 55.265 54.840 -0.039 0.000 0.896 67 L CB -1.097 40.932 42.059 -0.051 0.000 1.065 67 L HN 0.091 nan 8.230 nan 0.000 0.447 68 K N 2.397 122.790 120.400 -0.011 0.000 2.253 68 K HA 0.336 4.656 4.320 0.001 0.000 0.277 68 K C -2.252 174.362 176.600 0.024 0.000 1.053 68 K CA -1.601 54.694 56.287 0.014 0.000 0.892 68 K CB 1.189 33.704 32.500 0.026 0.000 1.102 68 K HN -0.076 nan 8.250 nan 0.000 0.469 69 P HA 0.036 nan 4.420 nan 0.000 0.274 69 P C -0.375 176.961 177.300 0.061 0.000 1.231 69 P CA -0.353 62.772 63.100 0.041 0.000 0.790 69 P CB 0.814 32.542 31.700 0.047 0.000 0.951 70 T N -0.837 113.750 114.554 0.054 0.000 2.860 70 T HA 0.155 4.505 4.350 0.001 0.000 0.299 70 T C -1.731 173.023 174.700 0.090 0.000 1.045 70 T CA -1.227 60.909 62.100 0.060 0.000 1.071 70 T CB -0.095 68.799 68.868 0.043 0.000 0.985 70 T HN 0.163 nan 8.240 nan 0.000 0.537 71 P HA -0.088 nan 4.420 nan 0.000 0.216 71 P C 1.429 178.820 177.300 0.151 0.000 1.150 71 P CA 0.899 64.066 63.100 0.112 0.000 0.843 71 P CB -0.005 31.740 31.700 0.074 0.000 0.787 72 N N -1.496 117.283 118.700 0.131 0.000 2.244 72 N HA -0.074 4.666 4.740 0.001 0.000 0.183 72 N C 1.648 177.285 175.510 0.211 0.000 1.016 72 N CA 1.342 54.500 53.050 0.180 0.000 0.866 72 N CB -0.916 37.646 38.487 0.125 0.000 0.980 72 N HN 0.158 nan 8.380 nan 0.000 0.430 73 T N 1.228 115.870 114.554 0.147 0.000 2.701 73 T HA -0.042 4.308 4.350 0.001 0.000 0.263 73 T C 2.216 177.046 174.700 0.217 0.000 1.040 73 T CA 0.951 63.133 62.100 0.138 0.000 1.147 73 T CB -0.293 68.620 68.868 0.076 0.000 0.865 73 T HN -0.056 nan 8.240 nan 0.000 0.426 74 V N 1.358 121.389 119.914 0.195 0.000 2.332 74 V HA -0.244 3.877 4.120 0.001 0.000 0.248 74 V C 2.320 178.557 176.094 0.238 0.000 1.055 74 V CA 1.939 64.360 62.300 0.201 0.000 1.038 74 V CB -0.827 31.107 31.823 0.185 0.000 0.651 74 V HN 0.663 nan 8.190 nan 0.000 0.450 75 H N -1.368 117.803 119.070 0.168 0.000 2.387 75 H HA -0.263 4.293 4.556 0.001 0.000 0.299 75 H C 2.324 177.789 175.328 0.228 0.000 1.099 75 H CA 2.348 58.509 56.048 0.188 0.000 1.315 75 H CB -0.048 29.831 29.762 0.195 0.000 1.380 75 H HN 0.545 nan 8.280 nan 0.000 0.513 76 Y N 1.191 121.530 120.300 0.065 0.000 2.145 76 Y HA -0.198 4.353 4.550 0.001 0.000 0.286 76 Y C 2.504 178.490 175.900 0.144 0.000 1.145 76 Y CA 1.860 59.935 58.100 -0.042 0.000 1.148 76 Y CB -0.403 37.988 38.460 -0.115 0.000 0.981 76 Y HN 0.132 nan 8.280 nan 0.000 0.507 77 I N -0.584 120.232 120.570 0.411 0.000 2.394 77 I HA -0.269 3.902 4.170 0.001 0.000 0.251 77 I C 1.782 178.284 176.117 0.642 0.000 1.136 77 I CA 0.500 62.171 61.300 0.617 0.000 1.425 77 I CB -0.276 37.975 38.000 0.419 0.000 1.079 77 I HN 0.271 nan 8.210 nan 0.000 0.425 78 L N 0.326 121.692 121.223 0.238 0.000 2.313 78 L HA -0.053 4.288 4.340 0.001 0.000 0.214 78 L C 2.306 179.079 176.870 -0.162 0.000 1.119 78 L CA 1.922 56.665 54.840 -0.162 0.000 0.809 78 L CB -1.301 40.393 42.059 -0.609 0.000 0.933 78 L HN 0.395 nan 8.230 nan 0.000 0.449 79 T N -4.982 109.543 114.554 -0.049 0.000 3.092 79 T HA 0.213 4.564 4.350 0.001 0.000 0.258 79 T C 0.425 174.979 174.700 -0.243 0.000 1.031 79 T CA -0.238 61.691 62.100 -0.286 0.000 0.925 79 T CB 0.034 68.677 68.868 -0.376 0.000 1.036 79 T HN 0.165 nan 8.240 nan 0.000 0.544 80 H N -0.526 118.531 119.070 -0.021 0.000 2.949 80 H HA 0.599 5.155 4.556 0.001 0.000 0.310 80 H C -0.523 174.948 175.328 0.238 0.000 1.405 80 H CA -2.053 53.880 56.048 -0.192 0.000 1.253 80 H CB 0.382 29.476 29.762 -1.114 0.000 1.932 80 H HN 0.049 nan 8.280 nan 0.000 0.602 81 F N -0.812 119.295 119.950 0.262 0.000 3.039 81 F HA -0.258 4.270 4.527 0.001 0.000 0.287 81 F C 1.575 177.447 175.800 0.120 0.000 0.956 81 F CA 0.684 58.751 58.000 0.112 0.000 0.971 81 F CB -1.176 37.819 39.000 -0.008 0.000 0.943 81 F HN 0.533 nan 8.300 nan 0.000 0.766 82 K N 1.096 121.547 120.400 0.085 0.000 2.211 82 K HA -0.104 4.217 4.320 0.001 0.000 0.204 82 K C 2.181 178.796 176.600 0.025 0.000 1.047 82 K CA 1.615 57.819 56.287 -0.137 0.000 0.935 82 K CB -0.440 31.677 32.500 -0.639 0.000 0.728 82 K HN 0.591 nan 8.250 nan 0.000 0.452 83 G N 0.017 108.832 108.800 0.025 0.000 2.403 83 G HA2 -0.143 3.817 3.960 0.001 0.000 0.216 83 G HA3 -0.143 3.817 3.960 0.001 0.000 0.216 83 G C 1.400 176.308 174.900 0.014 0.000 1.154 83 G CA 0.659 45.769 45.100 0.018 0.000 0.784 83 G HN 0.183 nan 8.290 nan 0.000 0.538 84 V N -0.323 119.574 119.914 -0.030 0.000 2.307 84 V HA -0.141 3.979 4.120 0.001 0.000 0.245 84 V C 2.403 178.420 176.094 -0.128 0.000 1.045 84 V CA 1.534 63.737 62.300 -0.162 0.000 1.024 84 V CB -0.770 30.829 31.823 -0.374 0.000 0.651 84 V HN 0.577 nan 8.190 nan 0.000 0.449 85 W N 0.384 121.745 121.300 0.103 0.000 2.392 85 W HA -0.158 4.502 4.660 0.001 0.000 0.279 85 W C 2.426 179.012 176.519 0.111 0.000 1.225 85 W CA 1.330 58.763 57.345 0.147 0.000 1.233 85 W CB -0.493 29.104 29.460 0.228 0.000 1.122 85 W HN 0.270 nan 8.180 nan 0.000 0.561 86 N N 0.466 119.318 118.700 0.254 0.000 2.166 86 N HA -0.161 4.580 4.740 0.001 0.000 0.186 86 N C 1.505 177.085 175.510 0.116 0.000 1.019 86 N CA 1.619 54.761 53.050 0.154 0.000 0.856 86 N CB -0.234 38.302 38.487 0.083 0.000 0.993 86 N HN 0.047 nan 8.380 nan 0.000 0.426 87 I N -0.753 119.867 120.570 0.082 0.000 2.193 87 I HA -0.190 3.980 4.170 0.001 0.000 0.240 87 I C 1.914 178.074 176.117 0.071 0.000 1.084 87 I CA 0.556 61.886 61.300 0.050 0.000 1.365 87 I CB -0.278 37.723 38.000 0.002 0.000 1.064 87 I HN -0.010 nan 8.210 nan 0.000 0.410 88 V N 1.480 121.447 119.914 0.088 0.000 2.282 88 V HA -0.315 3.806 4.120 0.001 0.000 0.249 88 V C 2.048 178.268 176.094 0.211 0.000 1.057 88 V CA 2.029 64.409 62.300 0.133 0.000 1.032 88 V CB -0.940 31.013 31.823 0.217 0.000 0.645 88 V HN 0.468 nan 8.190 nan 0.000 0.447 89 N N 0.610 119.470 118.700 0.267 0.000 2.443 89 N HA -0.110 4.630 4.740 0.001 0.000 0.184 89 N C 1.338 176.914 175.510 0.111 0.000 1.037 89 N CA 0.955 54.119 53.050 0.190 0.000 0.896 89 N CB -0.386 38.191 38.487 0.150 0.000 0.959 89 N HN 0.549 nan 8.380 nan 0.000 0.442 90 N N 0.006 118.766 118.700 0.100 0.000 2.205 90 N HA 0.168 4.908 4.740 0.001 0.000 0.201 90 N C -0.276 175.278 175.510 0.073 0.000 1.128 90 N CA 0.030 53.124 53.050 0.074 0.000 0.867 90 N CB 1.251 39.776 38.487 0.063 0.000 0.996 90 N HN 0.205 nan 8.380 nan 0.000 0.503 91 I N 2.136 122.749 120.570 0.072 0.000 2.377 91 I HA 0.202 4.373 4.170 0.001 0.000 0.282 91 I C -1.550 174.606 176.117 0.065 0.000 1.091 91 I CA -1.940 59.402 61.300 0.070 0.000 1.207 91 I CB 1.786 39.804 38.000 0.030 0.000 1.429 91 I HN -0.292 nan 8.210 nan 0.000 0.491 92 P HA -0.292 nan 4.420 nan 0.000 0.219 92 P C 1.570 178.956 177.300 0.142 0.000 1.158 92 P CA 1.859 65.031 63.100 0.120 0.000 0.895 92 P CB -0.009 31.770 31.700 0.132 0.000 0.792 93 F N -1.556 118.439 119.950 0.075 0.000 2.367 93 F HA 0.012 4.539 4.527 0.001 0.000 0.298 93 F C 1.882 177.733 175.800 0.084 0.000 1.094 93 F CA 0.893 58.935 58.000 0.071 0.000 1.409 93 F CB -1.136 37.895 39.000 0.053 0.000 1.064 93 F HN -0.202 nan 8.300 nan 0.000 0.528 94 L N 0.367 121.126 121.223 -0.774 0.000 2.044 94 L HA -0.078 4.262 4.340 0.001 0.000 0.205 94 L C 2.934 179.724 176.870 -0.133 0.000 1.075 94 L CA 1.343 55.794 54.840 -0.648 0.000 0.747 94 L CB -0.531 41.245 42.059 -0.470 0.000 0.903 94 L HN 0.147 nan 8.230 nan 0.000 0.435 95 R N -0.443 120.094 120.500 0.061 0.000 2.103 95 R HA -0.190 4.151 4.340 0.001 0.000 0.242 95 R C 2.330 178.801 176.300 0.284 0.000 1.142 95 R CA 2.017 58.309 56.100 0.320 0.000 0.960 95 R CB -0.129 30.302 30.300 0.220 0.000 0.858 95 R HN 0.233 nan 8.270 nan 0.000 0.439 96 S N 0.893 116.680 115.700 0.146 0.000 2.382 96 S HA -0.128 4.342 4.470 0.001 0.000 0.228 96 S C 1.782 176.455 174.600 0.122 0.000 1.027 96 S CA 1.084 59.363 58.200 0.133 0.000 0.991 96 S CB -0.206 63.065 63.200 0.119 0.000 0.823 96 S HN 0.365 nan 8.310 nan 0.000 0.469 97 L N 1.202 122.468 121.223 0.071 0.000 2.056 97 L HA -0.093 4.247 4.340 0.001 0.000 0.207 97 L C 1.874 178.782 176.870 0.064 0.000 1.078 97 L CA 1.177 56.049 54.840 0.054 0.000 0.749 97 L CB -0.253 41.787 42.059 -0.032 0.000 0.901 97 L HN 0.272 nan 8.230 nan 0.000 0.433 98 I N -0.735 119.852 120.570 0.029 0.000 2.202 98 I HA -0.291 3.880 4.170 0.001 0.000 0.242 98 I C 2.510 178.685 176.117 0.096 0.000 1.091 98 I CA 1.374 62.636 61.300 -0.063 0.000 1.368 98 I CB -0.957 36.711 38.000 -0.553 0.000 1.058 98 I HN 0.399 nan 8.210 nan 0.000 0.410 99 M N 1.321 121.085 119.600 0.274 0.000 2.159 99 M HA -0.201 4.279 4.480 0.001 0.000 0.263 99 M C 2.232 178.625 176.300 0.155 0.000 1.063 99 M CA 1.757 57.247 55.300 0.316 0.000 1.110 99 M CB -0.548 32.248 32.600 0.327 0.000 1.374 99 M HN 0.089 nan 8.290 nan 0.000 0.411 100 K N -1.226 119.250 120.400 0.127 0.000 2.103 100 K HA -0.252 4.068 4.320 0.001 0.000 0.207 100 K C 2.122 178.779 176.600 0.094 0.000 1.048 100 K CA 1.829 58.163 56.287 0.078 0.000 0.930 100 K CB -0.569 31.979 32.500 0.081 0.000 0.716 100 K HN 0.534 nan 8.250 nan 0.000 0.444 101 Y N 1.010 121.322 120.300 0.021 0.000 2.263 101 Y HA -0.157 4.393 4.550 0.001 0.000 0.292 101 Y C 1.870 177.793 175.900 0.038 0.000 1.130 101 Y CA 1.367 59.477 58.100 0.018 0.000 1.179 101 Y CB -0.355 38.097 38.460 -0.013 0.000 0.998 101 Y HN -0.030 nan 8.280 nan 0.000 0.532 102 V N -0.662 119.087 119.914 -0.276 0.000 2.453 102 V HA -0.161 3.960 4.120 0.001 0.000 0.247 102 V C 2.024 178.020 176.094 -0.163 0.000 1.048 102 V CA 1.681 63.781 62.300 -0.335 0.000 1.049 102 V CB -0.828 30.973 31.823 -0.036 0.000 0.672 102 V HN 0.386 nan 8.190 nan 0.000 0.457 103 L N 1.997 123.180 121.223 -0.067 0.000 1.994 103 L HA -0.090 4.250 4.340 0.001 0.000 0.208 103 L C 3.037 179.888 176.870 -0.030 0.000 1.071 103 L CA 2.977 57.790 54.840 -0.044 0.000 0.745 103 L CB -1.531 40.483 42.059 -0.075 0.000 0.892 103 L HN 0.734 nan 8.230 nan 0.000 0.431 104 T N -3.774 110.763 114.554 -0.027 0.000 2.770 104 T HA -0.140 4.211 4.350 0.001 0.000 0.263 104 T C 2.057 176.811 174.700 0.091 0.000 1.039 104 T CA 1.292 63.422 62.100 0.050 0.000 1.142 104 T CB -0.868 68.039 68.868 0.065 0.000 0.868 104 T HN 0.386 nan 8.240 nan 0.000 0.435 105 S N 1.631 117.322 115.700 -0.014 0.000 2.400 105 S HA -0.107 4.363 4.470 0.001 0.000 0.232 105 S C 2.225 176.927 174.600 0.168 0.000 1.025 105 S CA 0.859 59.112 58.200 0.089 0.000 0.993 105 S CB -0.455 62.628 63.200 -0.194 0.000 0.808 105 S HN 0.355 nan 8.310 nan 0.000 0.478 106 R N 1.489 121.993 120.500 0.007 0.000 2.062 106 R HA 0.218 4.558 4.340 0.001 0.000 0.229 106 R C 2.698 178.960 176.300 -0.063 0.000 1.128 106 R CA 1.567 57.643 56.100 -0.039 0.000 0.960 106 R CB -0.922 29.363 30.300 -0.024 0.000 0.855 106 R HN 0.469 nan 8.270 nan 0.000 0.432 107 S N 0.039 115.767 115.700 0.047 0.000 2.419 107 S HA -0.163 4.308 4.470 0.001 0.000 0.233 107 S C 1.515 176.123 174.600 0.012 0.000 1.016 107 S CA 1.153 59.396 58.200 0.073 0.000 0.974 107 S CB -0.398 62.970 63.200 0.280 0.000 0.786 107 S HN 0.565 nan 8.310 nan 0.000 0.492 108 Y N 0.707 121.005 120.300 -0.002 0.000 2.639 108 Y HA 0.142 4.693 4.550 0.001 0.000 0.297 108 Y C 1.458 177.314 175.900 -0.073 0.000 1.151 108 Y CA 0.393 58.475 58.100 -0.029 0.000 1.335 108 Y CB -0.314 38.137 38.460 -0.015 0.000 0.994 108 Y HN 0.092 nan 8.280 nan 0.000 0.548 109 L N 0.860 121.641 121.223 -0.736 0.000 2.492 109 L HA 0.109 4.449 4.340 0.001 0.000 0.223 109 L C 0.285 176.888 176.870 -0.445 0.000 1.132 109 L CA 0.405 54.797 54.840 -0.747 0.000 0.850 109 L CB -0.514 41.151 42.059 -0.657 0.000 0.966 109 L HN 0.257 nan 8.230 nan 0.000 0.454 110 I N 0.316 120.730 120.570 -0.260 0.000 2.359 110 I HA 0.191 4.361 4.170 0.001 0.000 0.294 110 I C -0.133 175.917 176.117 -0.112 0.000 0.987 110 I CA -0.955 60.255 61.300 -0.149 0.000 1.225 110 I CB 1.304 39.258 38.000 -0.076 0.000 1.366 110 I HN -0.106 nan 8.210 nan 0.000 0.466 111 D N 4.248 124.595 120.400 -0.087 0.000 2.371 111 D HA 0.213 4.854 4.640 0.001 0.000 0.256 111 D C 0.051 176.298 176.300 -0.088 0.000 1.193 111 D CA 0.456 54.402 54.000 -0.090 0.000 0.881 111 D CB 1.052 41.791 40.800 -0.102 0.000 1.143 111 D HN 0.386 nan 8.370 nan 0.000 0.473 112 S N 2.447 118.085 115.700 -0.103 0.000 2.706 112 S HA 0.379 4.849 4.470 0.001 0.000 0.270 112 S C -2.719 171.816 174.600 -0.107 0.000 1.163 112 S CA -1.253 56.880 58.200 -0.113 0.000 1.042 112 S CB 0.826 63.927 63.200 -0.165 0.000 1.079 112 S HN 0.029 nan 8.310 nan 0.000 0.474 113 P HA 0.205 nan 4.420 nan 0.000 0.267 113 P C -2.492 174.776 177.300 -0.052 0.000 1.201 113 P CA -0.656 62.426 63.100 -0.029 0.000 0.775 113 P CB -0.170 31.516 31.700 -0.023 0.000 0.854 114 P HA 0.066 nan 4.420 nan 0.000 0.274 114 P C 0.051 177.271 177.300 -0.133 0.000 1.256 114 P CA -0.055 62.990 63.100 -0.091 0.000 0.795 114 P CB 0.801 32.431 31.700 -0.117 0.000 1.038 115 T N -2.177 112.237 114.554 -0.233 0.000 3.257 115 T HA 0.215 4.565 4.350 0.001 0.000 0.176 115 T C 0.601 175.072 174.700 -0.382 0.000 0.892 115 T CA 0.032 61.872 62.100 -0.433 0.000 1.147 115 T CB -0.850 67.527 68.868 -0.818 0.000 1.840 115 T HN 0.270 nan 8.240 nan 0.000 0.375 116 Y N 3.620 123.876 120.300 -0.073 0.000 2.298 116 Y HA 0.574 5.124 4.550 0.001 0.000 0.329 116 Y C 0.893 176.722 175.900 -0.117 0.000 1.293 116 Y CA -0.600 57.445 58.100 -0.091 0.000 1.388 116 Y CB 0.530 38.953 38.460 -0.061 0.000 1.309 116 Y HN 0.732 nan 8.280 nan 0.000 0.544 117 N N -2.322 116.399 118.700 0.035 0.000 3.316 117 N HA 0.127 4.868 4.740 0.001 0.000 0.300 117 N C -0.317 175.146 175.510 -0.078 0.000 1.567 117 N CA -0.737 52.258 53.050 -0.091 0.000 0.821 117 N CB 0.497 38.767 38.487 -0.363 0.000 1.748 117 N HN 0.411 nan 8.380 nan 0.000 0.603 118 V N -0.353 119.487 119.914 -0.123 0.000 2.720 118 V HA -0.136 3.984 4.120 0.001 0.000 0.256 118 V C 0.982 177.047 176.094 -0.049 0.000 1.082 118 V CA 1.874 64.122 62.300 -0.087 0.000 1.101 118 V CB -0.975 30.760 31.823 -0.147 0.000 0.693 118 V HN 0.697 nan 8.190 nan 0.000 0.479 119 H N -2.882 116.128 119.070 -0.100 0.000 2.648 119 H HA 0.250 4.806 4.556 0.001 0.000 0.265 119 H C -0.554 174.401 175.328 -0.622 0.000 0.961 119 H CA -0.080 55.805 56.048 -0.271 0.000 1.185 119 H CB 0.522 30.151 29.762 -0.221 0.000 1.449 119 H HN 0.468 nan 8.280 nan 0.000 0.523 120 Y N -0.181 120.038 120.300 -0.136 0.000 2.332 120 Y HA 0.306 4.857 4.550 0.001 0.000 0.326 120 Y C 0.851 176.615 175.900 -0.226 0.000 0.978 120 Y CA -0.817 57.079 58.100 -0.339 0.000 1.205 120 Y CB 1.888 40.075 38.460 -0.455 0.000 1.131 120 Y HN 0.071 nan 8.280 nan 0.000 0.462 121 G N 2.348 111.066 108.800 -0.137 0.000 3.141 121 G HA2 0.109 4.069 3.960 0.001 0.000 0.218 121 G HA3 0.109 4.069 3.960 0.001 0.000 0.218 121 G C -0.419 174.475 174.900 -0.010 0.000 1.170 121 G CA 0.200 45.207 45.100 -0.155 0.000 0.769 121 G HN 0.571 nan 8.290 nan 0.000 0.546 122 Y N -2.043 118.409 120.300 0.253 0.000 2.545 122 Y HA 0.702 5.253 4.550 0.001 0.000 0.348 122 Y C -0.142 175.969 175.900 0.352 0.000 1.002 122 Y CA -2.225 56.074 58.100 0.331 0.000 1.039 122 Y CB 1.063 39.636 38.460 0.189 0.000 1.271 122 Y HN -0.237 nan 8.280 nan 0.000 0.467 123 K N 2.124 122.732 120.400 0.347 0.000 2.382 123 K HA 0.471 4.792 4.320 0.001 0.000 0.275 123 K C -0.398 176.282 176.600 0.133 0.000 1.009 123 K CA 0.249 56.583 56.287 0.079 0.000 0.970 123 K CB 0.586 33.084 32.500 -0.004 0.000 0.934 123 K HN 0.914 nan 8.250 nan 0.000 0.479 124 S N 0.925 116.594 115.700 -0.052 0.000 2.570 124 S HA 0.174 4.644 4.470 0.001 0.000 0.270 124 S C 0.060 174.631 174.600 -0.048 0.000 1.149 124 S CA -1.125 57.053 58.200 -0.038 0.000 0.837 124 S CB 0.629 63.654 63.200 -0.291 0.000 1.124 124 S HN 0.900 nan 8.310 nan 0.000 0.465 125 W N 1.279 122.534 121.300 -0.075 0.000 2.374 125 W HA -0.090 4.571 4.660 0.001 0.000 0.288 125 W C 1.529 178.030 176.519 -0.030 0.000 1.218 125 W CA 2.233 59.580 57.345 0.004 0.000 1.245 125 W CB -0.064 29.409 29.460 0.022 0.000 1.126 125 W HN 1.050 nan 8.180 nan 0.000 0.545 126 E N 0.798 120.928 120.200 -0.116 0.000 2.072 126 E HA -0.143 4.207 4.350 0.001 0.000 0.191 126 E C 2.217 178.596 176.600 -0.369 0.000 0.985 126 E CA 2.292 58.566 56.400 -0.210 0.000 0.801 126 E CB -0.664 28.871 29.700 -0.275 0.000 0.750 126 E HN 0.063 nan 8.360 nan 0.000 0.452 127 A N -0.123 122.344 122.820 -0.588 0.000 1.930 127 A HA -0.077 4.243 4.320 0.001 0.000 0.217 127 A C 2.168 179.530 177.584 -0.369 0.000 1.175 127 A CA 1.295 53.030 52.037 -0.503 0.000 0.627 127 A CB -0.910 17.812 19.000 -0.462 0.000 0.815 127 A HN 0.476 nan 8.150 nan 0.000 0.443 128 F N 2.088 121.741 119.950 -0.496 0.000 2.113 128 F HA -0.172 4.355 4.527 0.001 0.000 0.297 128 F C 2.601 178.071 175.800 -0.549 0.000 1.103 128 F CA 2.169 59.840 58.000 -0.549 0.000 1.248 128 F CB -0.385 38.172 39.000 -0.738 0.000 0.999 128 F HN 0.280 nan 8.300 nan 0.000 0.475 129 S N -0.762 114.438 115.700 -0.832 0.000 2.470 129 S HA -0.017 4.454 4.470 0.001 0.000 0.225 129 S C 0.942 175.301 174.600 -0.402 0.000 1.006 129 S CA 0.109 57.848 58.200 -0.769 0.000 0.934 129 S CB -0.729 62.188 63.200 -0.472 0.000 0.778 129 S HN 0.374 nan 8.310 nan 0.000 0.517 130 N N 1.950 120.515 118.700 -0.224 0.000 2.415 130 N HA 0.243 4.983 4.740 0.001 0.000 0.250 130 N C 0.402 175.924 175.510 0.019 0.000 1.127 130 N CA -0.153 52.902 53.050 0.009 0.000 0.945 130 N CB 0.421 39.073 38.487 0.275 0.000 1.196 130 N HN 0.378 nan 8.380 nan 0.000 0.499 131 L N 1.591 122.794 121.223 -0.034 0.000 2.552 131 L HA 0.001 4.341 4.340 0.001 0.000 0.227 131 L C 1.716 178.678 176.870 0.154 0.000 1.146 131 L CA 0.290 55.135 54.840 0.009 0.000 0.858 131 L CB -0.044 42.010 42.059 -0.008 0.000 0.969 131 L HN 0.394 nan 8.230 nan 0.000 0.451 132 S N -1.541 114.213 115.700 0.090 0.000 2.489 132 S HA 0.015 4.486 4.470 0.001 0.000 0.228 132 S C 0.377 174.975 174.600 -0.004 0.000 0.995 132 S CA 0.274 58.494 58.200 0.034 0.000 0.934 132 S CB -0.117 63.100 63.200 0.028 0.000 0.771 132 S HN 0.228 nan 8.310 nan 0.000 0.522 133 Y N 0.476 120.749 120.300 -0.045 0.000 2.301 133 Y HA 0.324 4.874 4.550 0.001 0.000 0.325 133 Y C 0.136 175.944 175.900 -0.152 0.000 1.203 133 Y CA -1.039 56.901 58.100 -0.266 0.000 1.255 133 Y CB 0.318 38.618 38.460 -0.267 0.000 1.232 133 Y HN 0.055 nan 8.280 nan 0.000 0.501 134 Y N 0.909 121.246 120.300 0.061 0.000 2.411 134 Y HA 0.071 4.622 4.550 0.001 0.000 0.333 134 Y C 1.036 176.962 175.900 0.043 0.000 1.186 134 Y CA 0.019 58.172 58.100 0.088 0.000 1.381 134 Y CB 0.507 38.977 38.460 0.018 0.000 1.273 134 Y HN 0.550 nan 8.280 nan 0.000 0.546 135 T N 3.218 117.887 114.554 0.191 0.000 2.770 135 T HA 0.423 4.774 4.350 0.001 0.000 0.281 135 T C -0.327 174.427 174.700 0.089 0.000 0.981 135 T CA -0.686 61.455 62.100 0.067 0.000 0.955 135 T CB 0.341 69.212 68.868 0.005 0.000 1.060 135 T HN 0.439 nan 8.240 nan 0.000 0.531 136 R N 0.900 121.455 120.500 0.092 0.000 2.532 136 R HA 0.536 4.877 4.340 0.001 0.000 0.297 136 R C 0.696 177.118 176.300 0.203 0.000 0.984 136 R CA -0.428 55.746 56.100 0.123 0.000 0.884 136 R CB 1.396 31.758 30.300 0.103 0.000 1.182 136 R HN 0.725 nan 8.270 nan 0.000 0.442 137 A N 3.817 126.805 122.820 0.280 0.000 1.969 137 A HA 0.066 4.386 4.320 0.001 0.000 0.218 137 A C 0.705 178.417 177.584 0.214 0.000 1.169 137 A CA 1.080 53.325 52.037 0.347 0.000 0.635 137 A CB 0.167 19.576 19.000 0.682 0.000 0.810 137 A HN 0.485 nan 8.150 nan 0.000 0.445 138 L N 0.288 121.600 121.223 0.149 0.000 2.386 138 L HA 0.375 4.715 4.340 0.001 0.000 0.271 138 L C -2.527 174.270 176.870 -0.120 0.000 0.993 138 L CA -2.562 52.223 54.840 -0.092 0.000 0.819 138 L CB 2.643 44.420 42.059 -0.469 0.000 1.294 138 L HN 0.012 nan 8.230 nan 0.000 0.414 139 P HA 0.159 nan 4.420 nan 0.000 0.272 139 P C -2.700 174.476 177.300 -0.206 0.000 1.230 139 P CA -1.288 61.570 63.100 -0.403 0.000 0.788 139 P CB -0.277 30.922 31.700 -0.835 0.000 0.949 140 P HA 0.026 nan 4.420 nan 0.000 0.272 140 P C -0.251 177.022 177.300 -0.046 0.000 1.230 140 P CA -0.002 63.079 63.100 -0.031 0.000 0.788 140 P CB 0.342 32.049 31.700 0.012 0.000 0.949 141 V N 1.833 121.748 119.914 0.001 0.000 2.572 141 V HA 0.168 4.289 4.120 0.001 0.000 0.291 141 V C 1.216 177.315 176.094 0.009 0.000 1.039 141 V CA -0.149 62.149 62.300 -0.003 0.000 1.055 141 V CB -0.079 31.761 31.823 0.028 0.000 0.969 141 V HN 0.743 nan 8.190 nan 0.000 0.482 142 A N 3.818 126.637 122.820 -0.001 0.000 2.520 142 A HA 0.095 4.415 4.320 0.001 0.000 0.235 142 A C 1.163 178.763 177.584 0.026 0.000 1.065 142 A CA -0.200 51.845 52.037 0.015 0.000 0.764 142 A CB -0.038 18.972 19.000 0.016 0.000 1.002 142 A HN 0.895 nan 8.150 nan 0.000 0.502 143 D N 0.336 120.755 120.400 0.032 0.000 2.218 143 D HA -0.110 4.530 4.640 0.001 0.000 0.204 143 D C 0.825 177.145 176.300 0.033 0.000 0.976 143 D CA 1.732 55.753 54.000 0.035 0.000 0.853 143 D CB 0.053 40.872 40.800 0.033 0.000 0.939 143 D HN 0.756 nan 8.370 nan 0.000 0.481 144 D N -0.466 119.954 120.400 0.033 0.000 2.388 144 D HA -0.016 4.624 4.640 0.001 0.000 0.221 144 D C -0.002 176.317 176.300 0.032 0.000 1.133 144 D CA -0.401 53.620 54.000 0.035 0.000 0.831 144 D CB -0.898 39.927 40.800 0.042 0.000 0.962 144 D HN -0.042 nan 8.370 nan 0.000 0.502 145 c N 2.225 120.841 118.600 0.027 0.000 2.652 145 c HA 0.208 4.778 4.570 0.001 0.000 0.412 145 c C -0.294 173.812 174.090 0.026 0.000 1.294 145 c CA -0.954 55.388 56.329 0.023 0.000 2.127 145 c CB 1.357 43.876 42.510 0.016 0.000 2.691 145 c HN 0.295 nan 8.230 nan 0.000 0.615 146 P HA -0.021 nan 4.420 nan 0.000 0.221 146 P C 0.409 177.726 177.300 0.027 0.000 1.150 146 P CA 1.395 64.510 63.100 0.025 0.000 0.800 146 P CB -0.025 31.689 31.700 0.023 0.000 0.787 147 T N -5.839 108.733 114.554 0.030 0.000 2.916 147 T HA 0.466 4.817 4.350 0.001 0.000 0.292 147 T C -2.403 172.323 174.700 0.044 0.000 1.064 147 T CA -2.196 59.926 62.100 0.037 0.000 1.011 147 T CB 1.958 70.851 68.868 0.041 0.000 1.152 147 T HN -0.345 nan 8.240 nan 0.000 0.510 148 P HA -0.035 nan 4.420 nan 0.000 0.216 148 P C 1.299 178.644 177.300 0.075 0.000 1.150 148 P CA 1.173 64.313 63.100 0.066 0.000 0.843 148 P CB 0.006 31.752 31.700 0.076 0.000 0.787 149 M N -2.622 117.023 119.600 0.074 0.000 2.495 149 M HA 0.290 4.770 4.480 0.001 0.000 0.237 149 M C 1.343 177.664 176.300 0.035 0.000 1.131 149 M CA 0.626 55.969 55.300 0.070 0.000 1.032 149 M CB -0.510 32.141 32.600 0.085 0.000 1.513 149 M HN 0.104 nan 8.290 nan 0.000 0.488 150 G N 0.376 109.193 108.800 0.028 0.000 1.929 150 G HA2 -0.220 3.740 3.960 0.001 0.000 0.219 150 G HA3 -0.220 3.740 3.960 0.001 0.000 0.219 150 G C 0.362 175.267 174.900 0.009 0.000 2.200 150 G CA 0.332 45.435 45.100 0.005 0.000 1.552 150 G HN 0.344 nan 8.290 nan 0.000 0.498 151 V N -1.330 118.588 119.914 0.006 0.000 3.539 151 V HA 0.530 4.651 4.120 0.001 0.000 0.262 151 V C 0.813 176.921 176.094 0.022 0.000 1.381 151 V CA 1.205 63.512 62.300 0.012 0.000 1.060 151 V CB 0.139 31.963 31.823 0.002 0.000 0.842 151 V HN 0.420 nan 8.190 nan 0.000 0.445 152 K N 1.544 121.960 120.400 0.027 0.000 2.126 152 K HA 0.599 4.919 4.320 0.001 0.000 0.257 152 K C 0.698 177.333 176.600 0.058 0.000 1.007 152 K CA 0.656 56.967 56.287 0.040 0.000 0.928 152 K CB 0.890 33.414 32.500 0.040 0.000 1.013 152 K HN 0.727 nan 8.250 nan 0.000 0.473 153 G N 1.232 110.073 108.800 0.067 0.000 2.681 153 G HA2 -0.221 3.739 3.960 0.001 0.000 0.220 153 G HA3 -0.221 3.739 3.960 0.001 0.000 0.220 153 G C -0.816 174.119 174.900 0.059 0.000 1.353 153 G CA -0.802 44.347 45.100 0.082 0.000 0.872 153 G HN 0.614 nan 8.290 nan 0.000 0.557 154 N N 0.233 118.966 118.700 0.054 0.000 2.458 154 N HA 0.354 5.094 4.740 0.001 0.000 0.271 154 N C 1.366 176.895 175.510 0.031 0.000 1.210 154 N CA -0.545 52.526 53.050 0.034 0.000 0.978 154 N CB 0.856 39.355 38.487 0.020 0.000 1.206 154 N HN 0.503 nan 8.380 nan 0.000 0.536 155 K N 0.717 121.131 120.400 0.022 0.000 2.281 155 K HA -0.054 4.266 4.320 0.001 0.000 0.203 155 K C -0.189 176.423 176.600 0.021 0.000 1.046 155 K CA 1.305 57.605 56.287 0.022 0.000 0.938 155 K CB -0.002 32.508 32.500 0.016 0.000 0.737 155 K HN 0.593 nan 8.250 nan 0.000 0.458 156 E N 0.140 120.348 120.200 0.015 0.000 2.292 156 E HA 0.223 4.573 4.350 0.001 0.000 0.272 156 E C -1.064 175.535 176.600 -0.002 0.000 0.881 156 E CA -0.774 55.631 56.400 0.008 0.000 0.754 156 E CB 1.716 31.415 29.700 -0.002 0.000 1.201 156 E HN -0.220 nan 8.360 nan 0.000 0.425 157 L N 3.229 124.455 121.223 0.005 0.000 2.473 157 L HA 0.230 4.571 4.340 0.001 0.000 0.268 157 L C -1.850 174.960 176.870 -0.100 0.000 1.215 157 L CA -1.683 53.145 54.840 -0.020 0.000 0.823 157 L CB -0.737 41.345 42.059 0.038 0.000 1.099 157 L HN 0.465 nan 8.230 nan 0.000 0.483 158 P HA -0.026 nan 4.420 nan 0.000 0.269 158 P C -0.478 176.729 177.300 -0.156 0.000 1.209 158 P CA -0.419 62.523 63.100 -0.263 0.000 0.776 158 P CB 0.318 31.702 31.700 -0.526 0.000 0.876 159 D N 1.381 121.715 120.400 -0.111 0.000 2.581 159 D HA -0.077 4.563 4.640 0.001 0.000 0.238 159 D C 1.200 177.469 176.300 -0.052 0.000 1.145 159 D CA 0.528 54.489 54.000 -0.065 0.000 0.866 159 D CB 0.722 41.490 40.800 -0.053 0.000 1.151 159 D HN 0.325 nan 8.370 nan 0.000 0.500 160 S N 4.016 119.702 115.700 -0.024 0.000 2.402 160 S HA -0.201 4.270 4.470 0.001 0.000 0.229 160 S C 1.785 176.392 174.600 0.011 0.000 1.021 160 S CA 0.823 59.026 58.200 0.005 0.000 0.974 160 S CB -0.032 63.176 63.200 0.013 0.000 0.800 160 S HN 0.644 nan 8.310 nan 0.000 0.484 161 K N 1.205 121.604 120.400 -0.002 0.000 2.103 161 K HA -0.164 4.157 4.320 0.001 0.000 0.207 161 K C 2.139 178.737 176.600 -0.002 0.000 1.048 161 K CA 1.654 57.941 56.287 -0.000 0.000 0.930 161 K CB -0.204 32.292 32.500 -0.007 0.000 0.716 161 K HN 0.346 nan 8.250 nan 0.000 0.444 162 E N 0.143 120.333 120.200 -0.016 0.000 2.072 162 E HA -0.121 4.230 4.350 0.001 0.000 0.191 162 E C 1.837 178.431 176.600 -0.011 0.000 0.985 162 E CA 1.175 57.561 56.400 -0.024 0.000 0.801 162 E CB 0.033 29.703 29.700 -0.049 0.000 0.750 162 E HN 0.124 nan 8.360 nan 0.000 0.452 163 V N 1.084 120.998 119.914 0.000 0.000 2.295 163 V HA -0.253 3.868 4.120 0.001 0.000 0.246 163 V C 2.406 178.530 176.094 0.050 0.000 1.049 163 V CA 1.698 64.025 62.300 0.045 0.000 1.024 163 V CB -0.600 31.283 31.823 0.100 0.000 0.648 163 V HN 0.374 nan 8.190 nan 0.000 0.447 164 L N -0.016 121.237 121.223 0.050 0.000 1.978 164 L HA -0.291 4.050 4.340 0.001 0.000 0.218 164 L C 2.687 179.575 176.870 0.031 0.000 1.075 164 L CA 2.388 57.259 54.840 0.052 0.000 0.767 164 L CB -0.410 41.677 42.059 0.045 0.000 0.890 164 L HN 0.448 nan 8.230 nan 0.000 0.434 165 E N -0.618 119.592 120.200 0.017 0.000 2.106 165 E HA -0.215 4.136 4.350 0.001 0.000 0.192 165 E C 2.171 178.773 176.600 0.004 0.000 0.984 165 E CA 1.083 57.488 56.400 0.008 0.000 0.806 165 E CB 0.097 29.797 29.700 0.001 0.000 0.750 165 E HN 0.517 nan 8.360 nan 0.000 0.458 166 K N 0.259 120.661 120.400 0.002 0.000 2.116 166 K HA -0.052 4.268 4.320 0.001 0.000 0.203 166 K C 2.044 178.643 176.600 -0.002 0.000 1.052 166 K CA 1.428 57.712 56.287 -0.004 0.000 0.952 166 K CB 0.442 32.935 32.500 -0.012 0.000 0.729 166 K HN 0.134 nan 8.250 nan 0.000 0.446 167 V N -3.015 116.903 119.914 0.007 0.000 3.485 167 V HA 0.167 4.288 4.120 0.001 0.000 0.280 167 V C 1.328 177.420 176.094 -0.002 0.000 1.495 167 V CA -0.034 62.267 62.300 0.000 0.000 1.018 167 V CB -0.079 31.748 31.823 0.005 0.000 0.818 167 V HN 0.053 nan 8.190 nan 0.000 0.436 168 L N 0.047 121.276 121.223 0.010 0.000 2.362 168 L HA 0.401 4.741 4.340 0.001 0.000 0.204 168 L C 0.936 177.821 176.870 0.024 0.000 1.060 168 L CA 0.293 55.142 54.840 0.014 0.000 0.827 168 L CB 0.161 42.242 42.059 0.037 0.000 1.027 168 L HN 0.202 nan 8.230 nan 0.000 0.474 169 L N 1.568 122.805 121.223 0.024 0.000 2.453 169 L HA 0.097 4.438 4.340 0.001 0.000 0.272 169 L C 0.772 177.654 176.870 0.020 0.000 1.182 169 L CA 0.019 54.874 54.840 0.024 0.000 0.858 169 L CB 0.411 42.480 42.059 0.016 0.000 1.120 169 L HN 0.214 nan 8.230 nan 0.000 0.474 170 R N 3.167 123.685 120.500 0.031 0.000 2.442 170 R HA 0.099 4.439 4.340 0.001 0.000 0.291 170 R C 0.591 176.909 176.300 0.030 0.000 1.069 170 R CA -0.378 55.743 56.100 0.035 0.000 1.022 170 R CB 0.716 31.058 30.300 0.070 0.000 0.976 170 R HN 0.623 nan 8.270 nan 0.000 0.443 171 R N 3.127 123.640 120.500 0.022 0.000 2.024 171 R HA 0.082 4.423 4.340 0.001 0.000 0.216 171 R C 0.255 176.577 176.300 0.037 0.000 1.259 171 R CA 0.667 56.779 56.100 0.021 0.000 1.001 171 R CB -0.573 29.733 30.300 0.009 0.000 0.881 171 R HN 0.649 nan 8.270 nan 0.000 0.459 172 E N 0.711 120.932 120.200 0.034 0.000 2.191 172 E HA 0.178 4.529 4.350 0.001 0.000 0.274 172 E C -1.238 175.411 176.600 0.082 0.000 0.948 172 E CA -0.719 55.717 56.400 0.060 0.000 0.802 172 E CB 1.089 30.809 29.700 0.034 0.000 1.137 172 E HN 0.016 nan 8.360 nan 0.000 0.397 173 F N 5.074 125.015 119.950 -0.015 0.000 2.602 173 F HA 0.121 4.648 4.527 0.001 0.000 0.385 173 F C -0.510 175.275 175.800 -0.025 0.000 1.063 173 F CA 0.193 58.181 58.000 -0.019 0.000 1.233 173 F CB 0.276 39.260 39.000 -0.026 0.000 1.067 173 F HN 0.348 nan 8.300 nan 0.000 0.564 174 I N 9.339 129.493 120.570 -0.692 0.000 2.328 174 I HA 0.265 4.436 4.170 0.001 0.000 0.287 174 I C -2.061 173.478 176.117 -0.965 0.000 1.012 174 I CA -2.194 58.741 61.300 -0.608 0.000 1.195 174 I CB 0.999 38.802 38.000 -0.328 0.000 1.350 174 I HN 0.438 nan 8.210 nan 0.000 0.464 175 P HA 0.042 nan 4.420 nan 0.000 0.274 175 P C -0.803 176.302 177.300 -0.325 0.000 1.237 175 P CA -0.284 62.490 63.100 -0.543 0.000 0.793 175 P CB 0.826 32.433 31.700 -0.155 0.000 0.977 176 D N 2.572 122.835 120.400 -0.228 0.000 2.358 176 D HA 0.057 4.697 4.640 0.001 0.000 0.258 176 D C -1.174 175.022 176.300 -0.175 0.000 1.223 176 D CA -2.028 51.841 54.000 -0.218 0.000 0.886 176 D CB 0.359 41.026 40.800 -0.222 0.000 1.120 176 D HN 0.152 nan 8.370 nan 0.000 0.482 177 P HA -0.163 nan 4.420 nan 0.000 0.222 177 P C 0.737 177.950 177.300 -0.146 0.000 1.147 177 P CA 1.009 64.023 63.100 -0.143 0.000 0.790 177 P CB 0.263 31.880 31.700 -0.140 0.000 0.780 178 Q N -0.973 118.704 119.800 -0.204 0.000 2.482 178 Q HA 0.161 4.501 4.340 0.001 0.000 0.209 178 Q C 1.163 177.112 176.000 -0.085 0.000 0.961 178 Q CA 0.524 56.199 55.803 -0.214 0.000 0.945 178 Q CB -0.388 28.104 28.738 -0.410 0.000 1.012 178 Q HN 0.276 nan 8.270 nan 0.000 0.515 179 G N 1.014 109.771 108.800 -0.072 0.000 2.153 179 G HA2 -0.276 3.685 3.960 0.001 0.000 0.252 179 G HA3 -0.276 3.685 3.960 0.001 0.000 0.252 179 G C 0.055 174.947 174.900 -0.012 0.000 0.994 179 G CA 0.281 45.372 45.100 -0.015 0.000 0.698 179 G HN 0.304 nan 8.290 nan 0.000 0.521 180 S N 0.968 116.634 115.700 -0.056 0.000 2.558 180 S HA 0.345 4.815 4.470 0.001 0.000 0.293 180 S C 0.874 175.459 174.600 -0.025 0.000 1.292 180 S CA 0.664 58.769 58.200 -0.159 0.000 1.063 180 S CB 0.569 63.562 63.200 -0.345 0.000 0.831 180 S HN 0.997 nan 8.310 nan 0.000 0.499 181 N N 1.820 120.552 118.700 0.054 0.000 2.813 181 N HA 0.385 5.126 4.740 0.001 0.000 0.320 181 N C 0.525 176.148 175.510 0.188 0.000 1.315 181 N CA -0.866 52.263 53.050 0.131 0.000 0.871 181 N CB -0.050 38.523 38.487 0.145 0.000 1.241 181 N HN 0.264 nan 8.380 nan 0.000 0.602 182 M N -0.470 119.216 119.600 0.144 0.000 2.349 182 M HA 0.143 4.624 4.480 0.001 0.000 0.266 182 M C 1.434 177.839 176.300 0.175 0.000 1.076 182 M CA 0.873 56.167 55.300 -0.011 0.000 1.126 182 M CB -1.022 31.453 32.600 -0.209 0.000 1.392 182 M HN 0.507 nan 8.290 nan 0.000 0.440 183 M N -0.848 118.980 119.600 0.379 0.000 2.108 183 M HA -0.187 4.294 4.480 0.001 0.000 0.261 183 M C 2.260 178.993 176.300 0.720 0.000 1.066 183 M CA 1.549 57.193 55.300 0.574 0.000 1.107 183 M CB -1.427 31.453 32.600 0.467 0.000 1.356 183 M HN 0.223 nan 8.290 nan 0.000 0.406 184 F N 1.094 121.305 119.950 0.435 0.000 2.075 184 F HA -0.120 4.408 4.527 0.001 0.000 0.297 184 F C 2.345 178.278 175.800 0.222 0.000 1.113 184 F CA 1.812 59.926 58.000 0.189 0.000 1.218 184 F CB -0.481 38.492 39.000 -0.044 0.000 0.984 184 F HN 0.117 nan 8.300 nan 0.000 0.472 185 A N 0.202 123.122 122.820 0.167 0.000 1.883 185 A HA -0.211 4.109 4.320 0.001 0.000 0.217 185 A C 2.042 179.565 177.584 -0.103 0.000 1.186 185 A CA 2.023 54.036 52.037 -0.040 0.000 0.624 185 A CB -1.558 17.323 19.000 -0.197 0.000 0.822 185 A HN 0.452 nan 8.150 nan 0.000 0.444 186 F N -1.939 118.110 119.950 0.165 0.000 2.367 186 F HA 0.066 4.594 4.527 0.001 0.000 0.298 186 F C 1.862 177.748 175.800 0.143 0.000 1.094 186 F CA 0.299 58.410 58.000 0.184 0.000 1.409 186 F CB -0.710 38.443 39.000 0.254 0.000 1.064 186 F HN 0.338 nan 8.300 nan 0.000 0.528 187 F N 0.592 120.613 119.950 0.119 0.000 2.146 187 F HA -0.101 4.426 4.527 0.001 0.000 0.298 187 F C 2.331 178.020 175.800 -0.185 0.000 1.096 187 F CA 1.259 59.061 58.000 -0.330 0.000 1.275 187 F CB -0.387 38.499 39.000 -0.190 0.000 1.008 187 F HN -0.078 nan 8.300 nan 0.000 0.480 188 A N -0.187 122.679 122.820 0.077 0.000 1.877 188 A HA -0.254 4.067 4.320 0.001 0.000 0.216 188 A C 2.215 179.777 177.584 -0.037 0.000 1.186 188 A CA 1.786 53.899 52.037 0.126 0.000 0.620 188 A CB -1.061 18.061 19.000 0.204 0.000 0.822 188 A HN 0.565 nan 8.150 nan 0.000 0.443 189 Q N -1.284 118.476 119.800 -0.067 0.000 2.020 189 Q HA -0.256 4.084 4.340 0.001 0.000 0.202 189 Q C 2.180 177.942 176.000 -0.397 0.000 0.982 189 Q CA 1.791 57.436 55.803 -0.263 0.000 0.838 189 Q CB -0.364 28.261 28.738 -0.189 0.000 0.899 189 Q HN 0.882 nan 8.270 nan 0.000 0.423 190 H N -0.533 118.300 119.070 -0.396 0.000 2.293 190 H HA -0.173 4.384 4.556 0.001 0.000 0.300 190 H C 2.022 177.167 175.328 -0.304 0.000 1.082 190 H CA 1.829 57.608 56.048 -0.448 0.000 1.308 190 H CB -0.370 29.124 29.762 -0.448 0.000 1.375 190 H HN 0.353 nan 8.280 nan 0.000 0.495 191 F N 2.098 121.682 119.950 -0.610 0.000 2.069 191 F HA -0.217 4.311 4.527 0.001 0.000 0.298 191 F C 2.802 178.031 175.800 -0.953 0.000 1.113 191 F CA 2.583 60.120 58.000 -0.772 0.000 1.214 191 F CB -0.935 37.546 39.000 -0.864 0.000 0.978 191 F HN 0.254 nan 8.300 nan 0.000 0.474 192 T N -2.935 110.950 114.554 -1.114 0.000 2.995 192 T HA -0.167 4.183 4.350 0.001 0.000 0.269 192 T C 1.395 175.197 174.700 -1.498 0.000 1.091 192 T CA 1.496 62.521 62.100 -1.792 0.000 1.128 192 T CB -0.884 67.240 68.868 -1.239 0.000 0.891 192 T HN 0.394 nan 8.240 nan 0.000 0.492 193 H N 1.580 120.105 119.070 -0.909 0.000 2.543 193 H HA 0.182 4.738 4.556 0.001 0.000 0.269 193 H C 2.318 177.295 175.328 -0.584 0.000 1.005 193 H CA 0.632 56.377 56.048 -0.506 0.000 1.146 193 H CB -0.195 29.537 29.762 -0.051 0.000 1.353 193 H HN 0.765 nan 8.280 nan 0.000 0.595 194 Q N -0.186 119.066 119.800 -0.914 0.000 2.250 194 Q HA -0.051 4.289 4.340 0.001 0.000 0.200 194 Q C 0.904 176.528 176.000 -0.627 0.000 0.941 194 Q CA 1.009 56.318 55.803 -0.823 0.000 0.872 194 Q CB -0.125 27.892 28.738 -1.202 0.000 0.965 194 Q HN 0.575 nan 8.270 nan 0.000 0.480 195 F N -2.595 116.948 119.950 -0.679 0.000 2.724 195 F HA 0.477 5.005 4.527 0.001 0.000 0.306 195 F C -0.170 175.394 175.800 -0.394 0.000 1.100 195 F CA -1.131 56.529 58.000 -0.567 0.000 1.255 195 F CB 0.473 39.111 39.000 -0.603 0.000 1.072 195 F HN -0.229 nan 8.300 nan 0.000 0.589 196 F N 3.753 123.471 119.950 -0.387 0.000 2.335 196 F HA 0.496 5.024 4.527 0.001 0.000 0.365 196 F C -0.079 175.508 175.800 -0.354 0.000 1.122 196 F CA -1.631 56.182 58.000 -0.312 0.000 1.151 196 F CB 0.675 39.339 39.000 -0.560 0.000 1.282 196 F HN -0.012 nan 8.300 nan 0.000 0.513 197 K N 2.069 122.474 120.400 0.009 0.000 2.950 197 K HA 0.174 4.495 4.320 0.001 0.000 0.199 197 K C -0.537 175.998 176.600 -0.108 0.000 1.144 197 K CA -0.311 55.911 56.287 -0.107 0.000 0.983 197 K CB 1.185 33.582 32.500 -0.171 0.000 1.187 197 K HN 0.330 nan 8.250 nan 0.000 0.595 198 T N 1.409 115.900 114.554 -0.105 0.000 2.888 198 T HA -0.038 4.312 4.350 0.001 0.000 0.301 198 T C 0.126 174.562 174.700 -0.440 0.000 1.001 198 T CA 0.319 62.294 62.100 -0.209 0.000 1.147 198 T CB 0.415 69.123 68.868 -0.266 0.000 0.931 198 T HN 0.245 nan 8.240 nan 0.000 0.541 199 D N 1.768 122.005 120.400 -0.272 0.000 2.483 199 D HA 0.025 4.665 4.640 0.001 0.000 0.220 199 D C 1.167 177.362 176.300 -0.175 0.000 1.173 199 D CA -0.290 53.585 54.000 -0.208 0.000 0.964 199 D CB 0.079 40.791 40.800 -0.146 0.000 1.046 199 D HN 0.535 nan 8.370 nan 0.000 0.517 200 H N 2.418 121.486 119.070 -0.004 0.000 2.545 200 H HA -0.040 4.517 4.556 0.001 0.000 0.282 200 H C 1.366 176.678 175.328 -0.026 0.000 1.020 200 H CA 0.694 56.743 56.048 0.002 0.000 1.243 200 H CB 0.563 30.326 29.762 0.002 0.000 1.377 200 H HN 0.467 nan 8.280 nan 0.000 0.581 201 K N 0.709 121.124 120.400 0.025 0.000 2.155 201 K HA -0.024 4.297 4.320 0.001 0.000 0.203 201 K C 2.030 178.568 176.600 -0.104 0.000 1.052 201 K CA 0.585 56.852 56.287 -0.034 0.000 0.948 201 K CB 0.280 32.742 32.500 -0.063 0.000 0.728 201 K HN 0.286 nan 8.250 nan 0.000 0.448 202 R N 0.168 120.560 120.500 -0.180 0.000 2.105 202 R HA 0.105 4.446 4.340 0.001 0.000 0.214 202 R C 0.799 177.007 176.300 -0.153 0.000 1.091 202 R CA 0.689 56.556 56.100 -0.389 0.000 1.007 202 R CB 0.583 30.336 30.300 -0.912 0.000 0.912 202 R HN 0.242 nan 8.270 nan 0.000 0.450 203 G N -0.379 108.463 108.800 0.070 0.000 2.347 203 G HA2 -0.060 3.900 3.960 0.001 0.000 0.321 203 G HA3 -0.060 3.900 3.960 0.001 0.000 0.321 203 G C -2.595 172.456 174.900 0.252 0.000 1.412 203 G CA -0.940 44.291 45.100 0.218 0.000 0.990 203 G HN -0.209 nan 8.290 nan 0.000 0.637 204 P HA 0.037 nan 4.420 nan 0.000 0.225 204 P C 1.553 178.946 177.300 0.155 0.000 1.148 204 P CA 1.609 64.784 63.100 0.124 0.000 0.779 204 P CB 0.072 31.803 31.700 0.052 0.000 0.780 205 G N -1.893 106.976 108.800 0.114 0.000 3.141 205 G HA2 0.147 4.107 3.960 0.001 0.000 0.218 205 G HA3 0.147 4.107 3.960 0.001 0.000 0.218 205 G C -0.064 174.681 174.900 -0.257 0.000 1.170 205 G CA -0.099 44.991 45.100 -0.017 0.000 0.769 205 G HN 0.144 nan 8.290 nan 0.000 0.546 206 F N -0.633 119.305 119.950 -0.020 0.000 2.522 206 F HA 0.640 5.167 4.527 0.001 0.000 0.324 206 F C 0.337 175.851 175.800 -0.475 0.000 1.077 206 F CA -0.791 57.042 58.000 -0.278 0.000 0.944 206 F CB 2.561 41.389 39.000 -0.288 0.000 1.175 206 F HN -0.169 nan 8.300 nan 0.000 0.468 207 T N 0.753 115.022 114.554 -0.476 0.000 2.907 207 T HA 0.435 4.786 4.350 0.001 0.000 0.292 207 T C 0.529 175.028 174.700 -0.334 0.000 1.043 207 T CA -0.585 61.143 62.100 -0.619 0.000 1.003 207 T CB 1.294 69.511 68.868 -1.084 0.000 1.084 207 T HN 0.715 nan 8.240 nan 0.000 0.483 208 R N 1.653 121.987 120.500 -0.276 0.000 2.312 208 R HA 0.254 4.595 4.340 0.001 0.000 0.205 208 R C 1.232 177.401 176.300 -0.218 0.000 0.904 208 R CA -0.023 55.953 56.100 -0.208 0.000 1.052 208 R CB 0.473 30.673 30.300 -0.167 0.000 1.014 208 R HN 0.587 nan 8.270 nan 0.000 0.503 209 G N 1.045 109.675 108.800 -0.282 0.000 2.807 209 G HA2 0.206 4.167 3.960 0.001 0.000 0.316 209 G HA3 0.206 4.167 3.960 0.001 0.000 0.316 209 G C 0.561 175.246 174.900 -0.358 0.000 0.900 209 G CA -0.413 44.522 45.100 -0.277 0.000 1.499 209 G HN 0.136 nan 8.290 nan 0.000 0.484 210 L N 1.985 123.081 121.223 -0.212 0.000 2.552 210 L HA 0.082 4.423 4.340 0.001 0.000 0.227 210 L C 2.571 179.449 176.870 0.013 0.000 1.146 210 L CA 0.625 55.402 54.840 -0.104 0.000 0.858 210 L CB 0.267 42.297 42.059 -0.049 0.000 0.969 210 L HN 0.553 nan 8.230 nan 0.000 0.451 211 G N -2.313 106.458 108.800 -0.048 0.000 2.650 211 G HA2 -0.138 3.822 3.960 0.001 0.000 0.214 211 G HA3 -0.138 3.822 3.960 0.001 0.000 0.214 211 G C 0.610 175.545 174.900 0.058 0.000 1.136 211 G CA -0.200 44.904 45.100 0.007 0.000 0.789 211 G HN 0.542 nan 8.290 nan 0.000 0.536 212 H N -0.402 118.626 119.070 -0.070 0.000 2.594 212 H HA -0.180 4.376 4.556 0.001 0.000 0.316 212 H C 1.186 176.440 175.328 -0.123 0.000 1.107 212 H CA 1.157 57.159 56.048 -0.077 0.000 1.133 212 H CB -1.295 28.420 29.762 -0.079 0.000 1.459 212 H HN 0.743 nan 8.280 nan 0.000 0.411 213 G N -1.691 107.070 108.800 -0.064 0.000 2.392 213 G HA2 0.212 4.172 3.960 0.001 0.000 0.260 213 G HA3 0.212 4.172 3.960 0.001 0.000 0.260 213 G C -0.848 174.036 174.900 -0.026 0.000 1.226 213 G CA -0.235 44.776 45.100 -0.147 0.000 0.913 213 G HN 0.141 nan 8.290 nan 0.000 0.483 214 V N 2.523 122.431 119.914 -0.012 0.000 2.222 214 V HA 0.290 4.410 4.120 0.001 0.000 0.253 214 V C 0.334 176.449 176.094 0.034 0.000 1.210 214 V CA 0.794 63.111 62.300 0.029 0.000 1.079 214 V CB 0.256 32.150 31.823 0.118 0.000 1.265 214 V HN 0.758 nan 8.190 nan 0.000 0.494 215 D N 2.894 123.299 120.400 0.007 0.000 2.433 215 D HA 0.058 4.698 4.640 0.001 0.000 0.211 215 D C 0.962 177.332 176.300 0.118 0.000 1.114 215 D CA -0.329 53.702 54.000 0.051 0.000 0.837 215 D CB 0.112 40.928 40.800 0.028 0.000 0.984 215 D HN 0.330 nan 8.370 nan 0.000 0.505 216 L N 0.750 122.032 121.223 0.099 0.000 4.040 216 L HA -0.344 3.996 4.340 0.001 0.000 0.410 216 L C 0.881 177.924 176.870 0.288 0.000 1.187 216 L CA 0.698 55.690 54.840 0.253 0.000 0.956 216 L CB -2.546 39.671 42.059 0.263 0.000 2.022 216 L HN 0.291 nan 8.230 nan 0.000 0.897 217 N N 0.172 118.962 118.700 0.149 0.000 2.430 217 N HA -0.212 4.528 4.740 0.001 0.000 0.186 217 N C 1.712 177.233 175.510 0.017 0.000 1.032 217 N CA 1.761 54.859 53.050 0.079 0.000 0.893 217 N CB -0.229 38.244 38.487 -0.023 0.000 0.957 217 N HN 0.737 nan 8.380 nan 0.000 0.442 218 H N -0.930 117.987 119.070 -0.255 0.000 2.555 218 H HA 0.160 4.717 4.556 0.001 0.000 0.269 218 H C 1.365 176.538 175.328 -0.257 0.000 0.988 218 H CA 0.520 56.344 56.048 -0.373 0.000 1.178 218 H CB -0.274 29.228 29.762 -0.433 0.000 1.373 218 H HN 0.429 nan 8.280 nan 0.000 0.588 219 I N -1.012 119.309 120.570 -0.414 0.000 3.194 219 I HA -0.041 4.129 4.170 0.001 0.000 0.271 219 I C 1.225 177.090 176.117 -0.421 0.000 1.150 219 I CA 0.156 61.134 61.300 -0.535 0.000 1.440 219 I CB 0.114 37.578 38.000 -0.893 0.000 1.276 219 I HN -0.029 nan 8.210 nan 0.000 0.457 220 Y N 1.352 121.638 120.300 -0.024 0.000 2.497 220 Y HA 0.456 5.007 4.550 0.001 0.000 0.265 220 Y C 1.163 177.077 175.900 0.024 0.000 1.111 220 Y CA 0.103 58.230 58.100 0.046 0.000 1.288 220 Y CB 0.005 38.540 38.460 0.125 0.000 1.082 220 Y HN 0.137 nan 8.280 nan 0.000 0.536 221 G N 0.509 109.365 108.800 0.093 0.000 2.712 221 G HA2 -0.181 3.780 3.960 0.001 0.000 0.686 221 G HA3 -0.181 3.780 3.960 0.001 0.000 0.686 221 G C 0.239 175.151 174.900 0.020 0.000 1.181 221 G CA -0.405 44.710 45.100 0.025 0.000 0.762 221 G HN 0.009 nan 8.290 nan 0.000 0.641 222 E N -0.434 119.746 120.200 -0.033 0.000 2.077 222 E HA -0.023 4.327 4.350 0.001 0.000 0.193 222 E C 1.978 178.559 176.600 -0.032 0.000 0.989 222 E CA 2.013 58.386 56.400 -0.044 0.000 0.800 222 E CB -0.142 29.513 29.700 -0.075 0.000 0.746 222 E HN 1.072 nan 8.360 nan 0.000 0.452 223 T N -2.062 112.470 114.554 -0.038 0.000 2.940 223 T HA 0.290 4.641 4.350 0.001 0.000 0.288 223 T C 1.048 175.705 174.700 -0.072 0.000 1.033 223 T CA -0.817 61.252 62.100 -0.052 0.000 1.033 223 T CB 1.524 70.358 68.868 -0.056 0.000 1.079 223 T HN -0.135 nan 8.240 nan 0.000 0.496 224 L N 0.816 121.967 121.223 -0.121 0.000 2.083 224 L HA -0.011 4.329 4.340 0.001 0.000 0.209 224 L C 2.226 178.895 176.870 -0.335 0.000 1.083 224 L CA 1.784 56.467 54.840 -0.261 0.000 0.752 224 L CB -1.094 40.797 42.059 -0.281 0.000 0.899 224 L HN 0.870 nan 8.230 nan 0.000 0.433 225 D N -0.958 119.334 120.400 -0.179 0.000 2.097 225 D HA -0.243 4.397 4.640 0.001 0.000 0.195 225 D C 2.269 178.556 176.300 -0.022 0.000 0.989 225 D CA 1.179 55.126 54.000 -0.088 0.000 0.827 225 D CB 0.186 40.957 40.800 -0.049 0.000 0.966 225 D HN 0.278 nan 8.370 nan 0.000 0.456 226 R N 0.750 121.233 120.500 -0.028 0.000 2.081 226 R HA -0.135 4.206 4.340 0.001 0.000 0.235 226 R C 2.393 178.708 176.300 0.026 0.000 1.131 226 R CA 1.322 57.423 56.100 0.001 0.000 0.960 226 R CB -0.152 30.139 30.300 -0.015 0.000 0.856 226 R HN 0.182 nan 8.270 nan 0.000 0.436 227 Q N -0.277 119.531 119.800 0.013 0.000 2.061 227 Q HA -0.238 4.103 4.340 0.001 0.000 0.204 227 Q C 1.682 177.727 176.000 0.075 0.000 0.984 227 Q CA 1.938 57.771 55.803 0.050 0.000 0.846 227 Q CB -0.158 28.601 28.738 0.036 0.000 0.902 227 Q HN 0.668 nan 8.270 nan 0.000 0.421 228 H N -0.468 118.586 119.070 -0.028 0.000 2.389 228 H HA -0.057 4.499 4.556 0.001 0.000 0.299 228 H C 2.017 177.406 175.328 0.102 0.000 1.081 228 H CA 1.010 57.097 56.048 0.064 0.000 1.345 228 H CB 0.294 30.182 29.762 0.211 0.000 1.393 228 H HN 0.206 nan 8.280 nan 0.000 0.520 229 K N 0.578 121.088 120.400 0.183 0.000 2.209 229 K HA -0.080 4.241 4.320 0.001 0.000 0.204 229 K C 1.840 178.481 176.600 0.068 0.000 1.048 229 K CA 0.709 57.067 56.287 0.118 0.000 0.940 229 K CB 0.152 32.699 32.500 0.078 0.000 0.729 229 K HN 0.248 nan 8.250 nan 0.000 0.451 230 L N 0.264 121.509 121.223 0.036 0.000 2.418 230 L HA 0.011 4.351 4.340 0.001 0.000 0.218 230 L C 0.690 177.537 176.870 -0.039 0.000 1.125 230 L CA 0.216 55.064 54.840 0.014 0.000 0.835 230 L CB 0.042 42.119 42.059 0.030 0.000 0.953 230 L HN 0.033 nan 8.230 nan 0.000 0.454 231 R N -0.222 120.179 120.500 -0.165 0.000 2.457 231 R HA 0.148 4.489 4.340 0.001 0.000 0.284 231 R C 0.698 176.821 176.300 -0.296 0.000 1.024 231 R CA -0.493 55.370 56.100 -0.394 0.000 1.025 231 R CB 1.501 31.192 30.300 -1.015 0.000 1.063 231 R HN -0.094 nan 8.270 nan 0.000 0.493 232 L N 2.339 123.452 121.223 -0.184 0.000 2.209 232 L HA 0.145 4.485 4.340 0.001 0.000 0.207 232 L C 0.213 177.139 176.870 0.094 0.000 1.094 232 L CA 1.231 56.069 54.840 -0.003 0.000 0.790 232 L CB -0.153 41.950 42.059 0.073 0.000 0.932 232 L HN 0.827 nan 8.230 nan 0.000 0.447 233 F N -0.752 119.192 119.950 -0.010 0.000 2.988 233 F HA -0.299 4.229 4.527 0.001 0.000 0.287 233 F C 0.310 176.118 175.800 0.014 0.000 0.781 233 F CA 0.736 58.714 58.000 -0.037 0.000 1.221 233 F CB -1.676 37.271 39.000 -0.088 0.000 1.392 233 F HN 0.124 nan 8.300 nan 0.000 0.425 234 K N 0.310 120.804 120.400 0.157 0.000 2.397 234 K HA 0.349 4.669 4.320 0.001 0.000 0.253 234 K C 0.114 176.803 176.600 0.148 0.000 0.932 234 K CA -0.803 55.570 56.287 0.143 0.000 0.795 234 K CB 1.801 34.375 32.500 0.123 0.000 1.159 234 K HN -0.030 nan 8.250 nan 0.000 0.424 235 D N 1.165 121.656 120.400 0.151 0.000 3.059 235 D HA -0.196 4.444 4.640 0.001 0.000 0.220 235 D C 0.792 177.207 176.300 0.192 0.000 1.169 235 D CA 1.930 56.027 54.000 0.161 0.000 0.902 235 D CB -0.935 39.949 40.800 0.141 0.000 1.116 235 D HN 1.129 nan 8.370 nan 0.000 0.417 236 G N -0.424 108.503 108.800 0.212 0.000 2.157 236 G HA2 -0.359 3.602 3.960 0.001 0.000 0.248 236 G HA3 -0.359 3.602 3.960 0.001 0.000 0.248 236 G C 0.334 175.513 174.900 0.464 0.000 0.979 236 G CA 0.775 46.062 45.100 0.312 0.000 0.650 236 G HN 0.476 nan 8.290 nan 0.000 0.529 237 K N -0.615 119.981 120.400 0.327 0.000 2.090 237 K HA 0.648 4.969 4.320 0.001 0.000 0.250 237 K C 0.056 176.826 176.600 0.283 0.000 1.004 237 K CA -0.912 55.608 56.287 0.388 0.000 0.919 237 K CB 0.782 33.455 32.500 0.288 0.000 1.045 237 K HN 0.007 nan 8.250 nan 0.000 0.471 238 L N 2.184 123.578 121.223 0.284 0.000 2.334 238 L HA 0.239 4.579 4.340 0.001 0.000 0.277 238 L C 0.121 177.116 176.870 0.207 0.000 1.075 238 L CA -0.067 54.861 54.840 0.147 0.000 0.804 238 L CB 1.018 43.122 42.059 0.075 0.000 1.174 238 L HN 0.451 nan 8.230 nan 0.000 0.438 239 K N 2.947 123.416 120.400 0.115 0.000 2.440 239 K HA 0.244 4.565 4.320 0.001 0.000 0.270 239 K C -1.091 175.620 176.600 0.186 0.000 0.980 239 K CA 0.569 56.911 56.287 0.091 0.000 0.953 239 K CB 0.365 32.879 32.500 0.023 0.000 0.925 239 K HN 0.579 nan 8.250 nan 0.000 0.497 240 Y N -2.174 118.133 120.300 0.012 0.000 2.689 240 Y HA 0.282 4.832 4.550 0.001 0.000 0.333 240 Y C -1.454 174.448 175.900 0.002 0.000 1.208 240 Y CA -1.387 56.709 58.100 -0.007 0.000 1.055 240 Y CB 1.042 39.493 38.460 -0.015 0.000 1.304 240 Y HN 0.603 nan 8.280 nan 0.000 0.455 241 Q N 0.740 120.609 119.800 0.115 0.000 2.433 241 Q HA 0.835 5.175 4.340 0.001 0.000 0.279 241 Q C -2.039 174.083 176.000 0.202 0.000 1.105 241 Q CA -1.330 54.506 55.803 0.056 0.000 0.815 241 Q CB 3.075 31.840 28.738 0.044 0.000 1.403 241 Q HN 0.609 nan 8.270 nan 0.000 0.435 242 V N 2.602 122.606 119.914 0.150 0.000 2.384 242 V HA 0.486 4.606 4.120 0.001 0.000 0.287 242 V C -0.550 175.633 176.094 0.148 0.000 1.020 242 V CA -0.504 61.896 62.300 0.167 0.000 0.850 242 V CB 1.149 33.057 31.823 0.142 0.000 0.987 242 V HN 0.671 nan 8.190 nan 0.000 0.436 243 I N 3.670 124.369 120.570 0.214 0.000 2.439 243 I HA 0.555 4.725 4.170 0.001 0.000 0.285 243 I C 1.038 177.257 176.117 0.170 0.000 1.021 243 I CA -0.507 60.896 61.300 0.173 0.000 1.091 243 I CB 1.774 39.863 38.000 0.147 0.000 1.242 243 I HN 0.817 nan 8.210 nan 0.000 0.439 244 G N 4.276 113.134 108.800 0.098 0.000 2.305 244 G HA2 -0.140 3.820 3.960 0.001 0.000 0.287 244 G HA3 -0.140 3.820 3.960 0.001 0.000 0.287 244 G C 0.993 175.936 174.900 0.072 0.000 1.036 244 G CA 0.663 45.809 45.100 0.077 0.000 0.887 244 G HN 1.544 nan 8.290 nan 0.000 0.505 245 G N -1.926 106.913 108.800 0.066 0.000 2.179 245 G HA2 -0.228 3.733 3.960 0.001 0.000 0.260 245 G HA3 -0.228 3.733 3.960 0.001 0.000 0.260 245 G C 0.055 174.967 174.900 0.019 0.000 0.977 245 G CA 0.893 46.018 45.100 0.041 0.000 0.641 245 G HN 0.948 nan 8.290 nan 0.000 0.533 246 E N -0.230 119.993 120.200 0.038 0.000 2.195 246 E HA 0.547 4.898 4.350 0.001 0.000 0.271 246 E C -0.051 176.452 176.600 -0.162 0.000 0.923 246 E CA -0.775 55.569 56.400 -0.094 0.000 0.790 246 E CB 2.406 32.036 29.700 -0.116 0.000 1.155 246 E HN 0.092 nan 8.360 nan 0.000 0.402 247 V N 3.733 123.456 119.914 -0.318 0.000 2.488 247 V HA 0.195 4.315 4.120 0.001 0.000 0.277 247 V C -0.695 175.086 176.094 -0.523 0.000 1.046 247 V CA 0.082 62.228 62.300 -0.257 0.000 0.986 247 V CB -0.324 31.324 31.823 -0.291 0.000 0.989 247 V HN 0.514 nan 8.190 nan 0.000 0.475 248 Y N 4.771 125.006 120.300 -0.107 0.000 2.605 248 Y HA 0.502 5.052 4.550 0.001 0.000 0.343 248 Y C -2.228 173.502 175.900 -0.283 0.000 1.036 248 Y CA -2.716 55.206 58.100 -0.297 0.000 1.065 248 Y CB 2.054 40.216 38.460 -0.497 0.000 1.288 248 Y HN 0.432 nan 8.280 nan 0.000 0.481 249 P HA 0.017 nan 4.420 nan 0.000 0.270 249 P C -2.518 174.707 177.300 -0.125 0.000 1.227 249 P CA -0.722 62.292 63.100 -0.144 0.000 0.788 249 P CB -0.032 31.590 31.700 -0.130 0.000 0.926 250 P HA 0.086 nan 4.420 nan 0.000 0.279 250 P C -0.441 176.939 177.300 0.134 0.000 1.282 250 P CA -0.037 63.095 63.100 0.053 0.000 0.788 250 P CB 0.100 31.825 31.700 0.042 0.000 1.139 251 T N -3.526 111.104 114.554 0.126 0.000 2.902 251 T HA 0.227 4.578 4.350 0.001 0.000 0.280 251 T C 1.425 176.182 174.700 0.095 0.000 0.992 251 T CA -0.693 61.490 62.100 0.139 0.000 1.015 251 T CB 0.184 69.099 68.868 0.078 0.000 1.044 251 T HN 0.061 nan 8.240 nan 0.000 0.520 252 V N 1.413 121.378 119.914 0.084 0.000 2.407 252 V HA -0.129 3.992 4.120 0.001 0.000 0.248 252 V C 2.794 178.910 176.094 0.037 0.000 1.055 252 V CA 2.226 64.568 62.300 0.069 0.000 1.049 252 V CB -0.897 30.970 31.823 0.073 0.000 0.662 252 V HN 1.039 nan 8.190 nan 0.000 0.455 253 K N 0.239 120.650 120.400 0.018 0.000 2.097 253 K HA -0.247 4.074 4.320 0.001 0.000 0.205 253 K C 1.880 178.488 176.600 0.013 0.000 1.050 253 K CA 2.037 58.328 56.287 0.006 0.000 0.938 253 K CB -0.234 32.260 32.500 -0.008 0.000 0.718 253 K HN 0.473 nan 8.250 nan 0.000 0.442 254 D N -0.561 119.851 120.400 0.021 0.000 2.194 254 D HA -0.094 4.546 4.640 0.001 0.000 0.204 254 D C 1.682 177.998 176.300 0.025 0.000 0.964 254 D CA 1.705 55.716 54.000 0.018 0.000 0.846 254 D CB 0.178 40.988 40.800 0.016 0.000 0.962 254 D HN 0.431 nan 8.370 nan 0.000 0.490 255 T N -4.402 110.174 114.554 0.036 0.000 2.990 255 T HA 0.130 4.480 4.350 0.001 0.000 0.249 255 T C 0.850 175.575 174.700 0.041 0.000 1.039 255 T CA 0.227 62.353 62.100 0.043 0.000 1.036 255 T CB 0.185 69.084 68.868 0.051 0.000 0.994 255 T HN -0.027 nan 8.240 nan 0.000 0.489 256 Q N 0.328 120.150 119.800 0.036 0.000 2.489 256 Q HA -0.127 4.214 4.340 0.001 0.000 0.259 256 Q C 0.025 176.044 176.000 0.033 0.000 0.934 256 Q CA 0.803 56.624 55.803 0.031 0.000 1.131 256 Q CB -2.637 26.116 28.738 0.025 0.000 1.472 256 Q HN 0.891 nan 8.270 nan 0.000 0.560 257 V N -1.193 118.746 119.914 0.042 0.000 2.546 257 V HA 0.385 4.505 4.120 0.001 0.000 0.284 257 V C 0.522 176.639 176.094 0.038 0.000 1.050 257 V CA -0.565 61.756 62.300 0.035 0.000 0.981 257 V CB 1.480 33.325 31.823 0.037 0.000 0.990 257 V HN 0.220 nan 8.190 nan 0.000 0.474 258 E N 6.263 126.474 120.200 0.019 0.000 2.344 258 E HA 0.343 4.693 4.350 0.001 0.000 0.270 258 E C -0.565 176.040 176.600 0.008 0.000 1.021 258 E CA -0.178 56.231 56.400 0.015 0.000 0.887 258 E CB 0.960 30.657 29.700 -0.006 0.000 0.997 258 E HN 0.617 nan 8.360 nan 0.000 0.429 259 M N 2.299 121.916 119.600 0.029 0.000 2.572 259 M HA 0.427 4.907 4.480 0.001 0.000 0.299 259 M C -0.451 175.799 176.300 -0.083 0.000 1.205 259 M CA -0.848 54.433 55.300 -0.030 0.000 0.876 259 M CB 1.766 34.417 32.600 0.086 0.000 1.728 259 M HN 0.407 nan 8.290 nan 0.000 0.458 260 I N 2.168 122.599 120.570 -0.231 0.000 2.312 260 I HA 0.300 4.471 4.170 0.001 0.000 0.291 260 I C -1.291 174.583 176.117 -0.405 0.000 1.031 260 I CA -0.141 61.036 61.300 -0.205 0.000 1.293 260 I CB 0.269 38.187 38.000 -0.137 0.000 1.403 260 I HN 0.491 nan 8.210 nan 0.000 0.484 261 Y N 6.495 126.754 120.300 -0.068 0.000 2.504 261 Y HA 0.409 4.960 4.550 0.001 0.000 0.344 261 Y C -2.063 173.712 175.900 -0.207 0.000 1.023 261 Y CA -2.104 55.917 58.100 -0.131 0.000 1.020 261 Y CB 1.965 40.343 38.460 -0.137 0.000 1.282 261 Y HN 0.429 nan 8.280 nan 0.000 0.454 262 P HA 0.083 nan 4.420 nan 0.000 0.269 262 P C -2.290 174.887 177.300 -0.205 0.000 1.215 262 P CA -1.254 61.695 63.100 -0.253 0.000 0.780 262 P CB 0.715 32.148 31.700 -0.444 0.000 0.898 263 P HA -0.146 nan 4.420 nan 0.000 0.228 263 P C 1.136 178.411 177.300 -0.043 0.000 1.151 263 P CA 1.438 64.510 63.100 -0.047 0.000 0.770 263 P CB -0.425 31.275 31.700 0.000 0.000 0.786 264 H N -1.598 117.436 119.070 -0.061 0.000 2.539 264 H HA 0.123 4.679 4.556 0.001 0.000 0.267 264 H C 0.456 175.740 175.328 -0.073 0.000 0.982 264 H CA -0.335 55.680 56.048 -0.056 0.000 1.146 264 H CB -0.196 29.540 29.762 -0.042 0.000 1.382 264 H HN 0.009 nan 8.280 nan 0.000 0.577 265 I N 5.317 125.628 120.570 -0.432 0.000 2.436 265 I HA 0.118 4.289 4.170 0.001 0.000 0.289 265 I C -2.036 173.920 176.117 -0.268 0.000 1.083 265 I CA -2.457 58.618 61.300 -0.374 0.000 1.372 265 I CB 0.584 38.311 38.000 -0.454 0.000 1.408 265 I HN 0.051 nan 8.210 nan 0.000 0.516 266 P HA 0.087 nan 4.420 nan 0.000 0.268 266 P C 0.536 177.695 177.300 -0.235 0.000 1.205 266 P CA -0.090 62.903 63.100 -0.178 0.000 0.771 266 P CB 0.951 32.567 31.700 -0.141 0.000 0.858 267 E N 1.755 121.850 120.200 -0.175 0.000 2.219 267 E HA -0.209 4.141 4.350 0.001 0.000 0.198 267 E C 1.568 178.063 176.600 -0.175 0.000 0.998 267 E CA 1.097 57.395 56.400 -0.170 0.000 0.818 267 E CB -0.117 29.523 29.700 -0.099 0.000 0.741 267 E HN 0.575 nan 8.360 nan 0.000 0.477 268 N N 0.479 119.083 118.700 -0.159 0.000 2.461 268 N HA -0.107 4.634 4.740 0.001 0.000 0.188 268 N C 1.277 176.656 175.510 -0.219 0.000 1.134 268 N CA 0.494 53.470 53.050 -0.124 0.000 0.878 268 N CB 0.207 38.643 38.487 -0.085 0.000 0.972 268 N HN 0.236 nan 8.380 nan 0.000 0.456 269 L N -0.099 120.893 121.223 -0.385 0.000 2.766 269 L HA 0.216 4.556 4.340 0.001 0.000 0.242 269 L C 0.193 176.513 176.870 -0.917 0.000 1.136 269 L CA -0.021 54.414 54.840 -0.676 0.000 0.933 269 L CB 0.317 42.062 42.059 -0.522 0.000 1.241 269 L HN 0.004 nan 8.230 nan 0.000 0.522 270 Q N 1.083 120.454 119.800 -0.715 0.000 2.534 270 Q HA 0.210 4.551 4.340 0.001 0.000 0.223 270 Q C -0.690 175.190 176.000 -0.201 0.000 1.239 270 Q CA -0.116 55.160 55.803 -0.878 0.000 0.936 270 Q CB 0.042 28.399 28.738 -0.634 0.000 1.457 270 Q HN 0.223 nan 8.270 nan 0.000 0.547 271 F N 1.045 120.972 119.950 -0.037 0.000 2.529 271 F HA 0.219 4.747 4.527 0.001 0.000 0.365 271 F C 0.836 176.758 175.800 0.202 0.000 1.102 271 F CA -0.951 57.109 58.000 0.100 0.000 1.271 271 F CB 0.678 39.742 39.000 0.106 0.000 1.120 271 F HN 0.386 nan 8.300 nan 0.000 0.579 272 A N 4.314 127.329 122.820 0.325 0.000 2.271 272 A HA 0.693 5.013 4.320 0.001 0.000 0.317 272 A C -0.556 177.113 177.584 0.143 0.000 1.245 272 A CA -0.495 51.665 52.037 0.204 0.000 0.857 272 A CB 0.673 19.756 19.000 0.139 0.000 1.175 272 A HN 0.661 nan 8.150 nan 0.000 0.512 273 V N 0.030 120.010 119.914 0.110 0.000 3.167 273 V HA 0.872 4.992 4.120 0.001 0.000 0.310 273 V C 1.162 177.239 176.094 -0.029 0.000 1.207 273 V CA -0.059 62.276 62.300 0.059 0.000 1.059 273 V CB 0.969 32.872 31.823 0.134 0.000 1.079 273 V HN 1.021 nan 8.190 nan 0.000 0.446 274 G N -0.695 108.055 108.800 -0.083 0.000 2.476 274 G HA2 -0.131 3.830 3.960 0.001 0.000 0.218 274 G HA3 -0.131 3.830 3.960 0.001 0.000 0.218 274 G C 0.731 175.495 174.900 -0.228 0.000 1.164 274 G CA 0.932 45.951 45.100 -0.135 0.000 0.768 274 G HN 0.699 nan 8.290 nan 0.000 0.560 275 Q N 0.494 120.032 119.800 -0.436 0.000 2.340 275 Q HA 0.177 4.518 4.340 0.001 0.000 0.259 275 Q C 1.309 177.020 176.000 -0.482 0.000 0.964 275 Q CA -0.155 55.230 55.803 -0.697 0.000 0.900 275 Q CB 1.572 29.269 28.738 -1.734 0.000 1.228 275 Q HN 0.762 nan 8.270 nan 0.000 0.449 276 E N 1.904 121.929 120.200 -0.292 0.000 2.333 276 E HA -0.121 4.229 4.350 0.001 0.000 0.198 276 E C 1.038 177.539 176.600 -0.166 0.000 1.007 276 E CA 0.684 56.978 56.400 -0.177 0.000 0.845 276 E CB 0.151 29.774 29.700 -0.127 0.000 0.766 276 E HN 0.263 nan 8.360 nan 0.000 0.507 277 V N 0.162 119.988 119.914 -0.147 0.000 3.647 277 V HA 0.021 4.142 4.120 0.001 0.000 0.279 277 V C 0.511 176.711 176.094 0.176 0.000 1.314 277 V CA 0.102 62.401 62.300 -0.001 0.000 1.125 277 V CB -0.438 31.438 31.823 0.088 0.000 0.907 277 V HN 0.233 nan 8.190 nan 0.000 0.434 278 F N 0.886 120.803 119.950 -0.056 0.000 2.802 278 F HA 0.250 4.777 4.527 0.001 0.000 0.300 278 F C 2.169 177.956 175.800 -0.023 0.000 1.168 278 F CA 0.506 58.501 58.000 -0.009 0.000 1.433 278 F CB -1.010 38.017 39.000 0.044 0.000 1.115 278 F HN 0.299 nan 8.300 nan 0.000 0.582 279 G N -0.750 108.079 108.800 0.049 0.000 2.920 279 G HA2 -0.051 3.909 3.960 0.001 0.000 0.208 279 G HA3 -0.051 3.909 3.960 0.001 0.000 0.208 279 G C 1.565 176.481 174.900 0.027 0.000 1.159 279 G CA 0.059 45.165 45.100 0.010 0.000 0.784 279 G HN 0.219 nan 8.290 nan 0.000 0.535 280 L N 0.708 121.939 121.223 0.013 0.000 2.446 280 L HA 0.302 4.643 4.340 0.001 0.000 0.219 280 L C 0.028 176.828 176.870 -0.118 0.000 1.116 280 L CA 1.028 55.904 54.840 0.061 0.000 0.844 280 L CB 0.101 42.227 42.059 0.111 0.000 0.970 280 L HN -0.016 nan 8.230 nan 0.000 0.457 281 V N -0.303 119.526 119.914 -0.142 0.000 2.612 281 V HA 0.287 4.408 4.120 0.001 0.000 0.301 281 V C -1.781 174.084 176.094 -0.382 0.000 1.059 281 V CA -0.969 61.152 62.300 -0.298 0.000 0.886 281 V CB 1.604 33.348 31.823 -0.133 0.000 1.007 281 V HN -0.140 nan 8.190 nan 0.000 0.426 282 P HA -0.082 nan 4.420 nan 0.000 0.219 282 P C 1.602 178.736 177.300 -0.276 0.000 1.146 282 P CA 1.563 64.394 63.100 -0.448 0.000 0.808 282 P CB 0.308 31.650 31.700 -0.596 0.000 0.779 283 G N -0.599 107.904 108.800 -0.494 0.000 2.422 283 G HA2 -0.197 3.763 3.960 0.001 0.000 0.218 283 G HA3 -0.197 3.763 3.960 0.001 0.000 0.218 283 G C 1.327 175.944 174.900 -0.472 0.000 1.140 283 G CA 0.395 44.976 45.100 -0.865 0.000 0.775 283 G HN 0.142 nan 8.290 nan 0.000 0.545 284 L N -0.163 120.839 121.223 -0.368 0.000 2.027 284 L HA 0.155 4.495 4.340 0.001 0.000 0.206 284 L C 2.702 179.466 176.870 -0.176 0.000 1.074 284 L CA 1.378 56.057 54.840 -0.268 0.000 0.745 284 L CB -0.759 41.078 42.059 -0.371 0.000 0.898 284 L HN 0.203 nan 8.230 nan 0.000 0.433 285 M N -1.455 118.076 119.600 -0.115 0.000 2.296 285 M HA -0.192 4.289 4.480 0.001 0.000 0.265 285 M C 2.143 178.396 176.300 -0.078 0.000 1.064 285 M CA 1.425 56.721 55.300 -0.006 0.000 1.109 285 M CB -0.460 32.176 32.600 0.061 0.000 1.396 285 M HN 0.275 nan 8.290 nan 0.000 0.430 286 M N -1.531 117.960 119.600 -0.182 0.000 2.086 286 M HA -0.259 4.222 4.480 0.001 0.000 0.261 286 M C 1.571 177.718 176.300 -0.256 0.000 1.067 286 M CA 1.906 57.056 55.300 -0.250 0.000 1.116 286 M CB -0.317 32.146 32.600 -0.228 0.000 1.348 286 M HN 0.254 nan 8.290 nan 0.000 0.407 287 Y N 0.211 120.378 120.300 -0.222 0.000 2.314 287 Y HA -0.005 4.546 4.550 0.001 0.000 0.293 287 Y C 2.622 178.352 175.900 -0.282 0.000 1.129 287 Y CA 1.304 59.191 58.100 -0.354 0.000 1.201 287 Y CB -0.930 37.106 38.460 -0.707 0.000 0.999 287 Y HN 0.380 nan 8.280 nan 0.000 0.541 288 A N -0.703 122.093 122.820 -0.040 0.000 1.940 288 A HA -0.207 4.114 4.320 0.001 0.000 0.219 288 A C 2.285 179.924 177.584 0.092 0.000 1.176 288 A CA 2.395 54.536 52.037 0.173 0.000 0.631 288 A CB -1.117 18.031 19.000 0.247 0.000 0.814 288 A HN 0.404 nan 8.150 nan 0.000 0.446 289 T N 0.005 114.555 114.554 -0.007 0.000 2.812 289 T HA -0.000 4.350 4.350 0.001 0.000 0.264 289 T C 1.811 176.447 174.700 -0.106 0.000 1.042 289 T CA 1.271 63.323 62.100 -0.079 0.000 1.140 289 T CB -0.351 68.435 68.868 -0.137 0.000 0.870 289 T HN 0.408 nan 8.240 nan 0.000 0.445 290 I N -0.518 119.973 120.570 -0.133 0.000 2.163 290 I HA -0.208 3.963 4.170 0.001 0.000 0.243 290 I C 2.182 178.206 176.117 -0.155 0.000 1.085 290 I CA 1.570 62.751 61.300 -0.199 0.000 1.347 290 I CB -0.263 37.570 38.000 -0.279 0.000 1.044 290 I HN 0.342 nan 8.210 nan 0.000 0.408 291 W N 0.310 121.598 121.300 -0.020 0.000 2.418 291 W HA -0.079 4.581 4.660 0.001 0.000 0.292 291 W C 2.443 178.953 176.519 -0.015 0.000 1.213 291 W CA 0.418 57.765 57.345 0.003 0.000 1.283 291 W CB -0.207 29.250 29.460 -0.004 0.000 1.119 291 W HN 0.085 nan 8.180 nan 0.000 0.542 292 L N 0.638 121.957 121.223 0.160 0.000 2.012 292 L HA -0.269 4.071 4.340 0.001 0.000 0.210 292 L C 2.522 179.437 176.870 0.074 0.000 1.073 292 L CA 1.731 56.619 54.840 0.080 0.000 0.748 292 L CB -0.325 41.744 42.059 0.018 0.000 0.891 292 L HN -0.059 nan 8.230 nan 0.000 0.431 293 R N -0.312 120.180 120.500 -0.014 0.000 2.081 293 R HA -0.241 4.099 4.340 0.001 0.000 0.235 293 R C 2.185 178.477 176.300 -0.013 0.000 1.131 293 R CA 1.690 57.745 56.100 -0.075 0.000 0.960 293 R CB -0.276 29.936 30.300 -0.148 0.000 0.856 293 R HN 0.342 nan 8.270 nan 0.000 0.436 294 E N -0.347 119.869 120.200 0.025 0.000 2.085 294 E HA -0.247 4.104 4.350 0.001 0.000 0.194 294 E C 1.699 178.390 176.600 0.151 0.000 0.994 294 E CA 1.891 58.328 56.400 0.062 0.000 0.801 294 E CB -0.209 29.529 29.700 0.064 0.000 0.743 294 E HN 0.503 nan 8.360 nan 0.000 0.453 295 H N -0.258 118.901 119.070 0.148 0.000 2.321 295 H HA -0.043 4.513 4.556 0.001 0.000 0.300 295 H C 1.635 177.038 175.328 0.125 0.000 1.087 295 H CA 2.215 58.368 56.048 0.175 0.000 1.319 295 H CB -0.121 29.769 29.762 0.213 0.000 1.379 295 H HN 0.135 nan 8.280 nan 0.000 0.501 296 N N 0.268 119.082 118.700 0.189 0.000 2.244 296 N HA -0.128 4.612 4.740 0.001 0.000 0.183 296 N C 1.976 177.485 175.510 -0.000 0.000 1.016 296 N CA 0.875 53.982 53.050 0.095 0.000 0.866 296 N CB -0.348 38.163 38.487 0.039 0.000 0.980 296 N HN 0.416 nan 8.380 nan 0.000 0.430 297 R N 0.775 121.268 120.500 -0.011 0.000 2.073 297 R HA -0.037 4.303 4.340 0.001 0.000 0.234 297 R C 1.625 177.917 176.300 -0.013 0.000 1.134 297 R CA 1.105 57.192 56.100 -0.022 0.000 0.952 297 R CB -0.225 30.060 30.300 -0.026 0.000 0.850 297 R HN -0.005 nan 8.270 nan 0.000 0.433 298 V N 0.290 120.194 119.914 -0.016 0.000 2.515 298 V HA -0.278 3.842 4.120 0.001 0.000 0.250 298 V C 2.529 178.614 176.094 -0.016 0.000 1.058 298 V CA 1.476 63.773 62.300 -0.006 0.000 1.064 298 V CB -0.425 31.405 31.823 0.011 0.000 0.675 298 V HN 0.520 nan 8.190 nan 0.000 0.461 299 C N 0.158 119.418 119.300 -0.068 0.000 2.413 299 C HA -0.173 4.287 4.460 0.001 0.000 0.276 299 C C 2.525 177.541 174.990 0.043 0.000 1.248 299 C CA 1.063 60.076 59.018 -0.007 0.000 1.742 299 C CB -1.003 26.738 27.740 0.003 0.000 2.017 299 C HN 0.604 nan 8.230 nan 0.000 0.481 300 D N 0.617 121.031 120.400 0.025 0.000 2.144 300 D HA -0.066 4.574 4.640 0.001 0.000 0.199 300 D C 1.918 178.228 176.300 0.016 0.000 0.984 300 D CA 1.126 55.140 54.000 0.024 0.000 0.834 300 D CB -0.356 40.449 40.800 0.009 0.000 0.955 300 D HN 0.477 nan 8.370 nan 0.000 0.465 301 I N 0.547 121.124 120.570 0.012 0.000 2.202 301 I HA -0.222 3.949 4.170 0.001 0.000 0.242 301 I C 2.456 178.574 176.117 0.001 0.000 1.091 301 I CA 0.663 61.965 61.300 0.003 0.000 1.368 301 I CB -0.100 37.907 38.000 0.011 0.000 1.058 301 I HN -0.041 nan 8.210 nan 0.000 0.410 302 L N 0.541 121.790 121.223 0.043 0.000 2.083 302 L HA -0.230 4.110 4.340 0.001 0.000 0.209 302 L C 2.606 179.491 176.870 0.026 0.000 1.083 302 L CA 1.391 56.273 54.840 0.070 0.000 0.752 302 L CB -0.512 41.663 42.059 0.194 0.000 0.899 302 L HN 0.231 nan 8.230 nan 0.000 0.433 303 K N 0.172 120.607 120.400 0.059 0.000 2.097 303 K HA -0.274 4.046 4.320 0.001 0.000 0.206 303 K C 2.166 178.755 176.600 -0.019 0.000 1.049 303 K CA 1.564 57.886 56.287 0.057 0.000 0.933 303 K CB 0.041 32.589 32.500 0.079 0.000 0.717 303 K HN 0.153 nan 8.250 nan 0.000 0.442 304 Q N 0.566 120.341 119.800 -0.041 0.000 2.119 304 Q HA -0.154 4.187 4.340 0.001 0.000 0.201 304 Q C 1.495 177.401 176.000 -0.156 0.000 0.972 304 Q CA 1.644 57.403 55.803 -0.073 0.000 0.847 304 Q CB 0.160 28.865 28.738 -0.056 0.000 0.903 304 Q HN 0.267 nan 8.270 nan 0.000 0.433 305 E N -0.428 119.627 120.200 -0.243 0.000 2.216 305 E HA -0.051 4.299 4.350 0.001 0.000 0.192 305 E C 0.089 176.212 176.600 -0.793 0.000 0.988 305 E CA 0.730 56.838 56.400 -0.488 0.000 0.834 305 E CB 0.302 29.668 29.700 -0.557 0.000 0.772 305 E HN 0.463 nan 8.360 nan 0.000 0.479 306 H N -0.003 118.837 119.070 -0.383 0.000 2.429 306 H HA 0.164 4.720 4.556 0.001 0.000 0.231 306 H C -1.850 173.339 175.328 -0.233 0.000 1.416 306 H CA -1.507 54.215 56.048 -0.542 0.000 1.443 306 H CB 1.233 30.133 29.762 -1.436 0.000 1.591 306 H HN -0.008 nan 8.280 nan 0.000 0.507 307 P HA -0.117 nan 4.420 nan 0.000 0.225 307 P C 0.653 178.008 177.300 0.091 0.000 1.148 307 P CA 0.911 64.028 63.100 0.028 0.000 0.779 307 P CB 0.449 32.150 31.700 0.001 0.000 0.780 308 E N -2.116 118.150 120.200 0.111 0.000 2.435 308 E HA -0.050 4.300 4.350 0.001 0.000 0.195 308 E C 0.417 177.220 176.600 0.338 0.000 1.029 308 E CA 0.236 56.749 56.400 0.188 0.000 0.865 308 E CB -0.643 29.175 29.700 0.198 0.000 0.833 308 E HN 0.248 nan 8.360 nan 0.000 0.510 309 W N 1.615 122.963 121.300 0.081 0.000 2.237 309 W HA 0.578 5.238 4.660 0.000 0.000 0.335 309 W C 1.126 177.678 176.519 0.054 0.000 1.230 309 W CA -1.010 56.364 57.345 0.050 0.000 1.253 309 W CB 0.574 30.058 29.460 0.041 0.000 1.129 309 W HN -0.012 nan 8.180 nan 0.000 0.590 310 G N 0.754 109.671 108.800 0.196 0.000 2.535 310 G HA2 0.111 4.071 3.960 0.001 0.000 0.303 310 G HA3 0.111 4.071 3.960 0.001 0.000 0.303 310 G C 0.321 175.303 174.900 0.136 0.000 1.237 310 G CA -0.198 44.980 45.100 0.131 0.000 0.986 310 G HN 0.478 nan 8.290 nan 0.000 0.494 311 D N -0.977 119.501 120.400 0.131 0.000 2.116 311 D HA -0.163 4.478 4.640 0.001 0.000 0.193 311 D C 2.058 178.447 176.300 0.147 0.000 0.998 311 D CA 1.533 55.624 54.000 0.151 0.000 0.836 311 D CB 0.179 41.075 40.800 0.160 0.000 0.951 311 D HN 0.295 nan 8.370 nan 0.000 0.449 312 E N 0.105 120.365 120.200 0.100 0.000 2.038 312 E HA -0.235 4.115 4.350 0.001 0.000 0.195 312 E C 2.042 178.684 176.600 0.070 0.000 1.000 312 E CA 1.002 57.459 56.400 0.095 0.000 0.803 312 E CB -0.424 29.301 29.700 0.042 0.000 0.750 312 E HN 0.540 nan 8.360 nan 0.000 0.448 313 Q N -0.022 119.728 119.800 -0.083 0.000 2.172 313 Q HA -0.060 4.280 4.340 0.001 0.000 0.200 313 Q C 2.373 178.261 176.000 -0.187 0.000 0.964 313 Q CA 0.656 56.267 55.803 -0.320 0.000 0.855 313 Q CB 0.029 28.300 28.738 -0.778 0.000 0.918 313 Q HN 0.220 nan 8.270 nan 0.000 0.444 314 L N -0.387 120.885 121.223 0.082 0.000 2.056 314 L HA -0.119 4.221 4.340 0.001 0.000 0.207 314 L C 2.222 179.202 176.870 0.182 0.000 1.078 314 L CA 1.014 56.002 54.840 0.246 0.000 0.749 314 L CB -0.430 41.798 42.059 0.282 0.000 0.901 314 L HN 0.316 nan 8.230 nan 0.000 0.433 315 F N 0.455 120.453 119.950 0.080 0.000 2.113 315 F HA -0.225 4.303 4.527 0.001 0.000 0.297 315 F C 2.697 178.542 175.800 0.075 0.000 1.103 315 F CA 1.490 59.566 58.000 0.127 0.000 1.248 315 F CB -0.153 38.887 39.000 0.066 0.000 0.999 315 F HN 0.019 nan 8.300 nan 0.000 0.475 316 Q N 0.009 119.816 119.800 0.011 0.000 2.079 316 Q HA -0.124 4.216 4.340 0.001 0.000 0.200 316 Q C 2.223 178.144 176.000 -0.130 0.000 0.974 316 Q CA 2.161 57.895 55.803 -0.114 0.000 0.840 316 Q CB -1.055 27.689 28.738 0.009 0.000 0.898 316 Q HN 0.428 nan 8.270 nan 0.000 0.430 317 T N 0.847 115.368 114.554 -0.055 0.000 2.777 317 T HA -0.062 4.289 4.350 0.001 0.000 0.266 317 T C 2.192 176.950 174.700 0.097 0.000 1.040 317 T CA 1.305 63.438 62.100 0.056 0.000 1.141 317 T CB -0.134 68.833 68.868 0.164 0.000 0.868 317 T HN 0.172 nan 8.240 nan 0.000 0.444 318 S N 1.047 116.755 115.700 0.012 0.000 2.359 318 S HA -0.127 4.344 4.470 0.001 0.000 0.224 318 S C 2.101 176.722 174.600 0.035 0.000 1.035 318 S CA 1.180 59.364 58.200 -0.028 0.000 1.018 318 S CB -0.284 62.728 63.200 -0.312 0.000 0.876 318 S HN 0.460 nan 8.310 nan 0.000 0.448 319 R N 0.984 121.399 120.500 -0.141 0.000 2.091 319 R HA -0.059 4.282 4.340 0.001 0.000 0.238 319 R C 2.126 178.459 176.300 0.056 0.000 1.136 319 R CA 1.244 57.235 56.100 -0.181 0.000 0.959 319 R CB -0.393 29.424 30.300 -0.805 0.000 0.856 319 R HN 0.362 nan 8.270 nan 0.000 0.437 320 L N 0.281 121.565 121.223 0.102 0.000 2.093 320 L HA -0.168 4.173 4.340 0.001 0.000 0.208 320 L C 2.452 179.564 176.870 0.403 0.000 1.085 320 L CA 1.162 56.176 54.840 0.291 0.000 0.755 320 L CB -0.324 41.939 42.059 0.340 0.000 0.904 320 L HN 0.292 nan 8.230 nan 0.000 0.435 321 I N -0.597 120.180 120.570 0.344 0.000 2.202 321 I HA -0.299 3.871 4.170 0.001 0.000 0.242 321 I C 2.339 178.602 176.117 0.242 0.000 1.091 321 I CA 1.073 62.531 61.300 0.263 0.000 1.368 321 I CB -0.118 38.017 38.000 0.225 0.000 1.058 321 I HN 0.175 nan 8.210 nan 0.000 0.410 322 L N 0.329 121.715 121.223 0.273 0.000 2.131 322 L HA -0.190 4.151 4.340 0.001 0.000 0.210 322 L C 2.296 179.299 176.870 0.221 0.000 1.092 322 L CA 1.744 56.774 54.840 0.316 0.000 0.759 322 L CB -0.553 41.730 42.059 0.374 0.000 0.903 322 L HN 0.174 nan 8.230 nan 0.000 0.435 323 I N -1.018 119.682 120.570 0.215 0.000 2.226 323 I HA -0.254 3.916 4.170 0.001 0.000 0.245 323 I C 2.494 178.725 176.117 0.190 0.000 1.100 323 I CA 1.456 62.865 61.300 0.183 0.000 1.374 323 I CB -0.924 37.202 38.000 0.210 0.000 1.057 323 I HN 0.354 nan 8.210 nan 0.000 0.413 324 G N 0.339 109.291 108.800 0.254 0.000 2.421 324 G HA2 -0.220 3.740 3.960 0.001 0.000 0.216 324 G HA3 -0.220 3.740 3.960 0.001 0.000 0.216 324 G C 1.500 176.525 174.900 0.208 0.000 1.171 324 G CA 0.552 45.823 45.100 0.285 0.000 0.775 324 G HN 0.415 nan 8.290 nan 0.000 0.543 325 E N -0.041 120.297 120.200 0.230 0.000 2.118 325 E HA -0.114 4.236 4.350 0.001 0.000 0.195 325 E C 2.748 179.513 176.600 0.274 0.000 0.992 325 E CA 1.442 58.002 56.400 0.268 0.000 0.804 325 E CB -0.288 29.639 29.700 0.379 0.000 0.741 325 E HN 0.349 nan 8.360 nan 0.000 0.458 326 T N 1.613 116.311 114.554 0.239 0.000 2.674 326 T HA -0.125 4.226 4.350 0.001 0.000 0.265 326 T C 2.044 176.749 174.700 0.007 0.000 1.039 326 T CA 0.986 63.188 62.100 0.171 0.000 1.150 326 T CB -0.204 68.670 68.868 0.010 0.000 0.864 326 T HN 0.111 nan 8.240 nan 0.000 0.427 327 I N 0.880 121.377 120.570 -0.122 0.000 2.226 327 I HA -0.165 4.005 4.170 0.001 0.000 0.245 327 I C 2.555 178.334 176.117 -0.563 0.000 1.100 327 I CA 1.111 62.180 61.300 -0.386 0.000 1.374 327 I CB -0.314 37.321 38.000 -0.609 0.000 1.057 327 I HN 0.141 nan 8.210 nan 0.000 0.413 328 K N 1.895 122.005 120.400 -0.483 0.000 2.032 328 K HA -0.155 4.166 4.320 0.001 0.000 0.209 328 K C 1.841 178.443 176.600 0.003 0.000 1.048 328 K CA 1.846 58.050 56.287 -0.138 0.000 0.927 328 K CB -0.385 32.216 32.500 0.168 0.000 0.712 328 K HN 0.273 nan 8.250 nan 0.000 0.441 329 I N -0.132 120.467 120.570 0.048 0.000 2.353 329 I HA -0.199 3.972 4.170 0.001 0.000 0.248 329 I C 2.002 178.158 176.117 0.064 0.000 1.119 329 I CA 0.603 61.958 61.300 0.091 0.000 1.417 329 I CB -0.086 38.023 38.000 0.182 0.000 1.078 329 I HN -0.043 nan 8.210 nan 0.000 0.421 330 V N 1.184 121.078 119.914 -0.033 0.000 2.343 330 V HA -0.277 3.844 4.120 0.001 0.000 0.247 330 V C 2.258 178.410 176.094 0.097 0.000 1.051 330 V CA 1.900 64.143 62.300 -0.095 0.000 1.036 330 V CB -0.336 31.255 31.823 -0.387 0.000 0.654 330 V HN 0.325 nan 8.190 nan 0.000 0.451 331 I N -0.480 120.117 120.570 0.045 0.000 2.235 331 I HA -0.150 4.021 4.170 0.001 0.000 0.241 331 I C 2.409 178.600 176.117 0.124 0.000 1.085 331 I CA 1.507 62.869 61.300 0.104 0.000 1.378 331 I CB -0.261 37.793 38.000 0.090 0.000 1.076 331 I HN 0.319 nan 8.210 nan 0.000 0.415 332 E N 0.074 120.339 120.200 0.109 0.000 2.385 332 E HA -0.086 4.264 4.350 0.001 0.000 0.194 332 E C 0.915 177.578 176.600 0.104 0.000 1.013 332 E CA 0.508 56.964 56.400 0.093 0.000 0.866 332 E CB 0.316 30.068 29.700 0.086 0.000 0.832 332 E HN 0.474 nan 8.360 nan 0.000 0.500 333 D N -0.599 119.898 120.400 0.162 0.000 2.995 333 D HA -0.044 4.597 4.640 0.001 0.000 0.289 333 D C 1.528 178.081 176.300 0.422 0.000 1.116 333 D CA 0.282 54.428 54.000 0.243 0.000 0.994 333 D CB -0.326 40.592 40.800 0.196 0.000 1.209 333 D HN 0.046 nan 8.370 nan 0.000 0.458 334 Y N 2.284 122.720 120.300 0.227 0.000 2.092 334 Y HA -0.164 4.387 4.550 0.001 0.000 0.282 334 Y C 2.188 178.186 175.900 0.163 0.000 1.126 334 Y CA 1.504 59.623 58.100 0.031 0.000 1.111 334 Y CB -0.347 37.995 38.460 -0.196 0.000 0.987 334 Y HN -0.263 nan 8.280 nan 0.000 0.489 335 V N 0.707 120.810 119.914 0.313 0.000 2.515 335 V HA -0.263 3.857 4.120 0.001 0.000 0.250 335 V C 2.247 178.352 176.094 0.018 0.000 1.058 335 V CA 1.930 64.337 62.300 0.178 0.000 1.064 335 V CB -0.759 31.211 31.823 0.246 0.000 0.675 335 V HN 0.420 nan 8.190 nan 0.000 0.461 336 Q N 0.646 120.483 119.800 0.062 0.000 2.061 336 Q HA -0.272 4.069 4.340 0.001 0.000 0.204 336 Q C 2.156 178.119 176.000 -0.061 0.000 0.984 336 Q CA 2.595 58.397 55.803 -0.001 0.000 0.846 336 Q CB -0.554 28.216 28.738 0.054 0.000 0.902 336 Q HN 0.837 nan 8.270 nan 0.000 0.421 337 H N -0.886 118.142 119.070 -0.071 0.000 2.321 337 H HA -0.101 4.455 4.556 0.001 0.000 0.300 337 H C 1.526 176.684 175.328 -0.284 0.000 1.087 337 H CA 1.757 57.720 56.048 -0.141 0.000 1.319 337 H CB -0.360 29.355 29.762 -0.079 0.000 1.379 337 H HN 0.320 nan 8.280 nan 0.000 0.501 338 L N 0.687 121.616 121.223 -0.489 0.000 2.083 338 L HA -0.138 4.202 4.340 0.001 0.000 0.209 338 L C 2.747 179.319 176.870 -0.496 0.000 1.083 338 L CA 1.973 56.465 54.840 -0.580 0.000 0.752 338 L CB -1.178 40.739 42.059 -0.236 0.000 0.899 338 L HN 0.610 nan 8.230 nan 0.000 0.433 339 S N -0.994 114.424 115.700 -0.471 0.000 2.383 339 S HA -0.006 4.465 4.470 0.001 0.000 0.227 339 S C 1.775 176.051 174.600 -0.541 0.000 1.026 339 S CA 0.759 58.536 58.200 -0.706 0.000 0.981 339 S CB -0.754 61.608 63.200 -1.397 0.000 0.818 339 S HN 0.592 nan 8.310 nan 0.000 0.472 340 G N 0.107 108.643 108.800 -0.439 0.000 2.166 340 G HA2 -0.265 3.695 3.960 0.001 0.000 0.260 340 G HA3 -0.265 3.695 3.960 0.001 0.000 0.260 340 G C -0.139 174.610 174.900 -0.253 0.000 0.986 340 G CA 0.494 45.404 45.100 -0.316 0.000 0.683 340 G HN 0.541 nan 8.290 nan 0.000 0.527 341 Y N -0.253 119.899 120.300 -0.245 0.000 2.397 341 Y HA 0.393 4.944 4.550 0.001 0.000 0.335 341 Y C 1.721 177.417 175.900 -0.340 0.000 1.213 341 Y CA -0.188 57.725 58.100 -0.312 0.000 1.391 341 Y CB 0.329 38.682 38.460 -0.179 0.000 1.293 341 Y HN 0.326 nan 8.280 nan 0.000 0.557 342 H N 0.869 119.861 119.070 -0.129 0.000 2.525 342 H HA 0.007 4.563 4.556 0.001 0.000 0.275 342 H C 0.092 175.339 175.328 -0.136 0.000 0.984 342 H CA -0.183 55.800 56.048 -0.108 0.000 1.264 342 H CB 0.200 29.971 29.762 0.016 0.000 1.432 342 H HN 0.422 nan 8.280 nan 0.000 0.549 343 F N 2.736 122.359 119.950 -0.546 0.000 2.529 343 F HA 0.086 4.614 4.527 0.001 0.000 0.365 343 F C 0.404 176.160 175.800 -0.074 0.000 1.102 343 F CA -0.499 57.256 58.000 -0.408 0.000 1.271 343 F CB 0.470 38.961 39.000 -0.849 0.000 1.120 343 F HN -0.209 nan 8.300 nan 0.000 0.579 344 K N 7.985 127.904 120.400 -0.802 0.000 2.250 344 K HA 0.303 4.624 4.320 0.001 0.000 0.280 344 K C -0.569 175.532 176.600 -0.833 0.000 1.098 344 K CA -0.462 55.481 56.287 -0.574 0.000 0.916 344 K CB 0.209 32.532 32.500 -0.295 0.000 1.209 344 K HN 0.706 nan 8.250 nan 0.000 0.461 345 L N 3.224 124.184 121.223 -0.438 0.000 2.483 345 L HA 0.108 4.448 4.340 0.001 0.000 0.275 345 L C 0.361 177.171 176.870 -0.100 0.000 1.220 345 L CA 0.492 55.216 54.840 -0.193 0.000 0.833 345 L CB 0.275 42.357 42.059 0.038 0.000 1.102 345 L HN 0.518 nan 8.230 nan 0.000 0.490 346 K N 1.846 122.250 120.400 0.006 0.000 2.443 346 K HA 0.322 4.642 4.320 0.001 0.000 0.252 346 K C -1.338 175.343 176.600 0.135 0.000 0.933 346 K CA -0.730 55.587 56.287 0.049 0.000 0.792 346 K CB 1.574 34.087 32.500 0.020 0.000 1.185 346 K HN 0.283 nan 8.250 nan 0.000 0.425 347 F N 4.649 124.592 119.950 -0.012 0.000 2.405 347 F HA 0.312 4.840 4.527 0.001 0.000 0.358 347 F C -0.869 174.885 175.800 -0.077 0.000 1.151 347 F CA -0.683 57.293 58.000 -0.039 0.000 1.161 347 F CB 0.419 39.414 39.000 -0.008 0.000 1.245 347 F HN 0.446 nan 8.300 nan 0.000 0.545 348 D N 8.421 128.568 120.400 -0.421 0.000 2.328 348 D HA 0.300 4.941 4.640 0.001 0.000 0.243 348 D C -2.245 173.675 176.300 -0.633 0.000 1.324 348 D CA -1.876 51.805 54.000 -0.531 0.000 0.966 348 D CB 1.843 42.510 40.800 -0.222 0.000 1.324 348 D HN 0.162 nan 8.370 nan 0.000 0.549 349 P HA -0.147 nan 4.420 nan 0.000 0.216 349 P C 0.922 177.564 177.300 -1.097 0.000 1.150 349 P CA 1.110 63.645 63.100 -0.943 0.000 0.843 349 P CB 0.363 31.223 31.700 -1.400 0.000 0.787 350 E N -0.562 118.974 120.200 -1.106 0.000 2.209 350 E HA -0.152 4.199 4.350 0.001 0.000 0.196 350 E C 1.880 178.074 176.600 -0.677 0.000 0.993 350 E CA 0.740 56.379 56.400 -1.268 0.000 0.819 350 E CB -0.661 28.815 29.700 -0.373 0.000 0.745 350 E HN 0.336 nan 8.360 nan 0.000 0.477 351 L N 0.425 121.398 121.223 -0.417 0.000 2.261 351 L HA -0.162 4.179 4.340 0.001 0.000 0.216 351 L C 2.103 178.887 176.870 -0.143 0.000 1.114 351 L CA 0.789 55.514 54.840 -0.190 0.000 0.777 351 L CB -0.168 41.813 42.059 -0.131 0.000 0.910 351 L HN 0.179 nan 8.230 nan 0.000 0.440 352 L N -2.226 118.869 121.223 -0.213 0.000 2.640 352 L HA 0.059 4.399 4.340 0.001 0.000 0.230 352 L C 1.973 178.981 176.870 0.230 0.000 1.123 352 L CA -0.018 54.789 54.840 -0.055 0.000 0.900 352 L CB -0.087 41.845 42.059 -0.210 0.000 1.146 352 L HN 0.178 nan 8.230 nan 0.000 0.484 353 F N 1.468 121.482 119.950 0.107 0.000 2.293 353 F HA -0.158 4.370 4.527 0.001 0.000 0.300 353 F C 1.821 177.700 175.800 0.132 0.000 1.086 353 F CA 0.459 58.550 58.000 0.151 0.000 1.375 353 F CB 0.006 39.088 39.000 0.138 0.000 1.045 353 F HN 0.397 nan 8.300 nan 0.000 0.516 354 N N -0.095 118.776 118.700 0.285 0.000 2.279 354 N HA 0.056 4.797 4.740 0.001 0.000 0.226 354 N C -0.396 175.207 175.510 0.154 0.000 1.126 354 N CA 0.035 53.200 53.050 0.191 0.000 0.846 354 N CB 0.127 38.706 38.487 0.152 0.000 1.050 354 N HN 0.212 nan 8.380 nan 0.000 0.502 355 Q N 0.266 120.171 119.800 0.174 0.000 2.433 355 Q HA 0.378 4.719 4.340 0.001 0.000 0.279 355 Q C -1.124 174.975 176.000 0.164 0.000 1.105 355 Q CA -0.532 55.355 55.803 0.141 0.000 0.815 355 Q CB 1.942 30.745 28.738 0.109 0.000 1.403 355 Q HN 0.209 nan 8.270 nan 0.000 0.435 356 Q N 1.605 121.488 119.800 0.139 0.000 2.295 356 Q HA 0.504 4.844 4.340 0.001 0.000 0.259 356 Q C -1.236 174.877 176.000 0.189 0.000 0.976 356 Q CA 0.099 55.981 55.803 0.131 0.000 0.923 356 Q CB 0.668 29.457 28.738 0.084 0.000 1.185 356 Q HN 0.501 nan 8.270 nan 0.000 0.410 357 F N 1.340 121.246 119.950 -0.072 0.000 2.669 357 F HA 0.136 4.664 4.527 0.001 0.000 0.315 357 F C -1.596 174.020 175.800 -0.307 0.000 1.109 357 F CA -0.816 57.068 58.000 -0.193 0.000 1.028 357 F CB 1.594 40.432 39.000 -0.269 0.000 1.287 357 F HN 0.298 nan 8.300 nan 0.000 0.452 358 Q N 5.578 124.791 119.800 -0.978 0.000 2.331 358 Q HA 0.204 4.544 4.340 0.001 0.000 0.257 358 Q C -1.179 174.359 176.000 -0.770 0.000 0.957 358 Q CA -0.281 55.133 55.803 -0.647 0.000 0.923 358 Q CB 1.010 29.502 28.738 -0.410 0.000 1.212 358 Q HN 0.694 nan 8.270 nan 0.000 0.443 359 Y N 3.106 123.341 120.300 -0.109 0.000 2.734 359 Y HA 0.024 4.574 4.550 0.001 0.000 0.353 359 Y C 0.835 176.719 175.900 -0.027 0.000 1.244 359 Y CA -0.071 58.048 58.100 0.032 0.000 1.950 359 Y CB 0.063 38.608 38.460 0.143 0.000 2.028 359 Y HN 0.438 nan 8.280 nan 0.000 0.421 360 Q N 0.069 119.854 119.800 -0.025 0.000 2.687 360 Q HA 0.543 4.883 4.340 0.001 0.000 0.295 360 Q C -2.028 173.927 176.000 -0.076 0.000 0.920 360 Q CA -1.295 54.492 55.803 -0.026 0.000 0.766 360 Q CB 2.101 30.818 28.738 -0.035 0.000 1.467 360 Q HN 0.297 nan 8.270 nan 0.000 0.415 361 N N -0.536 118.127 118.700 -0.061 0.000 2.745 361 N HA 0.568 5.308 4.740 0.001 0.000 0.256 361 N C -2.261 173.196 175.510 -0.089 0.000 1.268 361 N CA -0.498 52.513 53.050 -0.066 0.000 0.887 361 N CB 2.375 40.839 38.487 -0.039 0.000 1.575 361 N HN 0.621 nan 8.380 nan 0.000 0.496 362 R N 2.575 123.021 120.500 -0.089 0.000 2.532 362 R HA 0.529 4.869 4.340 0.001 0.000 0.297 362 R C -0.984 175.367 176.300 0.085 0.000 0.984 362 R CA -0.596 55.414 56.100 -0.150 0.000 0.884 362 R CB 0.628 30.769 30.300 -0.266 0.000 1.182 362 R HN 0.546 nan 8.270 nan 0.000 0.442 363 I N 3.584 124.386 120.570 0.386 0.000 2.598 363 I HA 0.184 4.355 4.170 0.001 0.000 0.284 363 I C 0.531 176.838 176.117 0.318 0.000 1.140 363 I CA 0.028 61.530 61.300 0.336 0.000 1.420 363 I CB 0.469 38.714 38.000 0.407 0.000 1.387 363 I HN 0.701 nan 8.210 nan 0.000 0.553 364 A N 4.864 127.744 122.820 0.100 0.000 2.331 364 A HA 0.277 4.598 4.320 0.001 0.000 0.283 364 A C 1.297 178.786 177.584 -0.158 0.000 1.142 364 A CA -0.143 51.853 52.037 -0.068 0.000 0.812 364 A CB 0.795 19.544 19.000 -0.418 0.000 1.074 364 A HN 0.820 nan 8.150 nan 0.000 0.497 365 S N 1.419 117.047 115.700 -0.120 0.000 2.374 365 S HA -0.212 4.259 4.470 0.001 0.000 0.227 365 S C 1.589 176.050 174.600 -0.232 0.000 1.037 365 S CA 2.451 60.488 58.200 -0.271 0.000 1.024 365 S CB -0.356 62.837 63.200 -0.011 0.000 0.861 365 S HN 0.799 nan 8.310 nan 0.000 0.456 366 E N 0.086 120.177 120.200 -0.181 0.000 2.153 366 E HA -0.040 4.310 4.350 0.001 0.000 0.194 366 E C 1.602 178.097 176.600 -0.175 0.000 0.988 366 E CA 1.013 57.324 56.400 -0.149 0.000 0.811 366 E CB -0.343 29.265 29.700 -0.153 0.000 0.746 366 E HN 0.605 nan 8.360 nan 0.000 0.466 367 F N 2.011 121.569 119.950 -0.653 0.000 2.134 367 F HA -0.159 4.368 4.527 0.001 0.000 0.299 367 F C 1.940 177.529 175.800 -0.351 0.000 1.097 367 F CA 1.268 58.990 58.000 -0.463 0.000 1.264 367 F CB -0.470 38.182 39.000 -0.580 0.000 1.001 367 F HN 0.023 nan 8.300 nan 0.000 0.479 368 N N -0.004 118.245 118.700 -0.751 0.000 2.084 368 N HA -0.170 4.570 4.740 0.001 0.000 0.190 368 N C 1.690 176.819 175.510 -0.635 0.000 1.030 368 N CA 2.219 54.380 53.050 -1.482 0.000 0.849 368 N CB -0.542 37.174 38.487 -1.286 0.000 1.012 368 N HN 0.298 nan 8.380 nan 0.000 0.423 369 T N 1.937 116.276 114.554 -0.359 0.000 2.708 369 T HA -0.132 4.219 4.350 0.001 0.000 0.266 369 T C 1.927 176.616 174.700 -0.018 0.000 1.037 369 T CA 1.638 63.587 62.100 -0.252 0.000 1.146 369 T CB -0.345 68.432 68.868 -0.152 0.000 0.865 369 T HN 0.416 nan 8.240 nan 0.000 0.435 370 L N -1.190 120.045 121.223 0.019 0.000 2.275 370 L HA 0.153 4.494 4.340 0.001 0.000 0.215 370 L C 1.867 178.796 176.870 0.099 0.000 1.119 370 L CA 1.422 56.336 54.840 0.123 0.000 0.790 370 L CB -1.163 40.976 42.059 0.133 0.000 0.919 370 L HN 0.140 nan 8.230 nan 0.000 0.443 371 Y N 0.159 120.307 120.300 -0.254 0.000 2.471 371 Y HA 0.150 4.700 4.550 0.001 0.000 0.286 371 Y C 0.803 176.307 175.900 -0.660 0.000 1.188 371 Y CA -0.123 57.503 58.100 -0.790 0.000 1.286 371 Y CB -0.232 37.760 38.460 -0.781 0.000 1.072 371 Y HN 0.283 nan 8.280 nan 0.000 0.517 372 H N 0.024 119.013 119.070 -0.135 0.000 3.198 372 H HA -0.075 4.482 4.556 0.001 0.000 0.255 372 H C -0.518 174.948 175.328 0.230 0.000 1.729 372 H CA -0.148 55.909 56.048 0.014 0.000 1.495 372 H CB -0.309 29.567 29.762 0.190 0.000 1.807 372 H HN 0.396 nan 8.280 nan 0.000 0.554 373 W N 1.746 123.025 121.300 -0.034 0.000 2.676 373 W HA 0.120 4.781 4.660 0.001 0.000 0.430 373 W C 0.767 177.305 176.519 0.032 0.000 0.690 373 W CA -0.952 56.425 57.345 0.053 0.000 2.297 373 W CB -1.103 28.426 29.460 0.115 0.000 1.361 373 W HN 0.661 nan 8.180 nan 0.000 0.800 374 H N 0.311 119.624 119.070 0.405 0.000 2.489 374 H HA -0.091 4.466 4.556 0.001 0.000 0.293 374 H C -0.561 174.925 175.328 0.263 0.000 1.066 374 H CA 1.314 57.549 56.048 0.311 0.000 1.305 374 H CB -1.074 28.858 29.762 0.282 0.000 1.386 374 H HN 0.006 nan 8.280 nan 0.000 0.551 375 P HA -0.140 nan 4.420 nan 0.000 0.223 375 P C 1.061 178.476 177.300 0.192 0.000 1.144 375 P CA 0.993 64.219 63.100 0.210 0.000 0.783 375 P CB 0.011 31.785 31.700 0.124 0.000 0.771 376 L N -1.730 119.622 121.223 0.215 0.000 2.127 376 L HA -0.122 4.218 4.340 0.001 0.000 0.211 376 L C 1.155 178.134 176.870 0.182 0.000 1.089 376 L CA 0.622 55.573 54.840 0.185 0.000 0.757 376 L CB -0.709 41.485 42.059 0.225 0.000 0.899 376 L HN 0.007 nan 8.230 nan 0.000 0.434 377 L N 1.319 122.671 121.223 0.216 0.000 2.453 377 L HA 0.127 4.467 4.340 0.001 0.000 0.272 377 L C -1.841 175.092 176.870 0.105 0.000 1.182 377 L CA -1.603 53.334 54.840 0.162 0.000 0.858 377 L CB -0.014 42.283 42.059 0.396 0.000 1.120 377 L HN -0.106 nan 8.230 nan 0.000 0.474 378 P HA 0.116 nan 4.420 nan 0.000 0.277 378 P C -0.446 176.636 177.300 -0.363 0.000 1.271 378 P CA -0.441 62.379 63.100 -0.466 0.000 0.795 378 P CB 1.059 32.345 31.700 -0.689 0.000 1.101 379 D N -1.293 118.877 120.400 -0.383 0.000 2.194 379 D HA -0.007 4.633 4.640 0.001 0.000 0.204 379 D C 0.814 177.021 176.300 -0.155 0.000 0.964 379 D CA 1.526 55.451 54.000 -0.124 0.000 0.846 379 D CB -0.015 40.714 40.800 -0.119 0.000 0.962 379 D HN 0.528 nan 8.370 nan 0.000 0.490 380 T N -2.335 111.984 114.554 -0.391 0.000 2.883 380 T HA 0.560 4.911 4.350 0.001 0.000 0.301 380 T C -0.793 173.530 174.700 -0.627 0.000 1.158 380 T CA -0.922 60.955 62.100 -0.373 0.000 1.007 380 T CB 1.304 70.075 68.868 -0.161 0.000 1.186 380 T HN -0.224 nan 8.240 nan 0.000 0.499 381 F N 2.102 121.884 119.950 -0.280 0.000 2.391 381 F HA 0.465 4.992 4.527 0.001 0.000 0.359 381 F C 0.456 176.194 175.800 -0.104 0.000 1.122 381 F CA -1.009 56.800 58.000 -0.319 0.000 1.120 381 F CB 0.911 39.333 39.000 -0.964 0.000 1.142 381 F HN 0.426 nan 8.300 nan 0.000 0.483 382 N N 5.388 124.116 118.700 0.048 0.000 2.546 382 N HA 0.422 5.163 4.740 0.001 0.000 0.238 382 N C -0.836 174.610 175.510 -0.107 0.000 0.984 382 N CA -0.212 52.817 53.050 -0.036 0.000 0.935 382 N CB 1.373 39.816 38.487 -0.074 0.000 1.122 382 N HN 0.495 nan 8.380 nan 0.000 0.510 383 I N 1.247 121.711 120.570 -0.177 0.000 2.382 383 I HA 0.157 4.328 4.170 0.001 0.000 0.286 383 I C 1.009 176.926 176.117 -0.333 0.000 1.002 383 I CA -0.325 60.716 61.300 -0.433 0.000 1.135 383 I CB 1.000 38.534 38.000 -0.777 0.000 1.288 383 I HN 0.476 nan 8.210 nan 0.000 0.448 384 E N 2.904 122.966 120.200 -0.229 0.000 3.211 384 E HA -0.303 4.048 4.350 0.001 0.000 0.393 384 E C 0.083 176.650 176.600 -0.054 0.000 1.515 384 E CA 1.922 58.275 56.400 -0.078 0.000 1.385 384 E CB -0.468 29.262 29.700 0.050 0.000 1.616 384 E HN 0.739 nan 8.360 nan 0.000 0.489 385 D N 0.643 121.039 120.400 -0.007 0.000 2.354 385 D HA 0.026 4.666 4.640 0.001 0.000 0.209 385 D C 0.132 176.387 176.300 -0.075 0.000 1.015 385 D CA 0.592 54.577 54.000 -0.026 0.000 0.867 385 D CB 0.151 40.954 40.800 0.004 0.000 0.933 385 D HN 0.083 nan 8.370 nan 0.000 0.520 386 Q N 0.604 120.337 119.800 -0.112 0.000 2.260 386 Q HA 0.341 4.682 4.340 0.001 0.000 0.242 386 Q C -0.213 175.569 176.000 -0.362 0.000 0.932 386 Q CA 0.138 55.755 55.803 -0.310 0.000 0.891 386 Q CB 1.552 29.990 28.738 -0.501 0.000 1.222 386 Q HN 0.130 nan 8.270 nan 0.000 0.453 387 E N 1.995 121.939 120.200 -0.427 0.000 2.267 387 E HA 0.247 4.598 4.350 0.001 0.000 0.248 387 E C -1.153 175.287 176.600 -0.267 0.000 0.899 387 E CA -0.265 55.974 56.400 -0.269 0.000 0.764 387 E CB 0.865 30.470 29.700 -0.160 0.000 1.227 387 E HN 0.387 nan 8.360 nan 0.000 0.421 388 Y N 1.023 121.360 120.300 0.061 0.000 2.304 388 Y HA 0.132 4.682 4.550 0.001 0.000 0.328 388 Y C 1.236 177.235 175.900 0.165 0.000 1.123 388 Y CA -0.586 57.603 58.100 0.149 0.000 1.218 388 Y CB 1.060 39.679 38.460 0.265 0.000 1.207 388 Y HN 0.340 nan 8.280 nan 0.000 0.495 389 S N 1.499 117.400 115.700 0.335 0.000 2.614 389 S HA 0.177 4.648 4.470 0.001 0.000 0.265 389 S C 0.807 175.676 174.600 0.448 0.000 1.303 389 S CA -0.565 57.833 58.200 0.331 0.000 1.000 389 S CB 0.385 63.747 63.200 0.269 0.000 0.935 389 S HN 0.570 nan 8.310 nan 0.000 0.551 390 F N 1.160 121.318 119.950 0.347 0.000 2.065 390 F HA -0.072 4.456 4.527 0.001 0.000 0.298 390 F C 2.718 178.671 175.800 0.255 0.000 1.112 390 F CA 1.924 60.149 58.000 0.376 0.000 1.212 390 F CB -0.388 38.780 39.000 0.281 0.000 0.975 390 F HN 0.575 nan 8.300 nan 0.000 0.476 391 K N 0.619 121.262 120.400 0.405 0.000 2.074 391 K HA -0.231 4.090 4.320 0.001 0.000 0.209 391 K C 1.876 178.626 176.600 0.250 0.000 1.048 391 K CA 1.969 58.425 56.287 0.281 0.000 0.926 391 K CB -0.423 32.214 32.500 0.228 0.000 0.713 391 K HN 0.470 nan 8.250 nan 0.000 0.444 392 Q N -1.634 118.338 119.800 0.286 0.000 2.269 392 Q HA -0.063 4.277 4.340 0.001 0.000 0.201 392 Q C 1.925 178.058 176.000 0.222 0.000 0.946 392 Q CA 0.664 56.633 55.803 0.276 0.000 0.877 392 Q CB -0.075 28.892 28.738 0.381 0.000 0.963 392 Q HN 0.173 nan 8.270 nan 0.000 0.472 393 F N 1.439 121.406 119.950 0.028 0.000 2.187 393 F HA 0.078 4.605 4.527 0.001 0.000 0.295 393 F C 0.835 176.492 175.800 -0.237 0.000 1.091 393 F CA 0.258 58.151 58.000 -0.178 0.000 1.308 393 F CB 0.183 38.958 39.000 -0.375 0.000 1.030 393 F HN -0.113 nan 8.300 nan 0.000 0.487 394 L N 1.271 122.377 121.223 -0.195 0.000 2.485 394 L HA -0.104 4.237 4.340 0.001 0.000 0.275 394 L C 0.341 176.888 176.870 -0.538 0.000 1.207 394 L CA -0.037 54.459 54.840 -0.574 0.000 0.855 394 L CB -0.571 40.965 42.059 -0.873 0.000 1.114 394 L HN 0.481 nan 8.230 nan 0.000 0.485 395 Y N 0.553 120.816 120.300 -0.062 0.000 3.875 395 Y HA -0.287 4.263 4.550 0.001 0.000 0.216 395 Y C 0.542 176.398 175.900 -0.073 0.000 1.148 395 Y CA 0.210 58.294 58.100 -0.027 0.000 1.629 395 Y CB -2.035 36.447 38.460 0.036 0.000 1.506 395 Y HN 0.649 nan 8.280 nan 0.000 0.629 396 N N 1.341 119.976 118.700 -0.108 0.000 2.898 396 N HA 0.202 4.943 4.740 0.001 0.000 0.245 396 N C 0.319 175.697 175.510 -0.220 0.000 1.185 396 N CA -0.302 52.669 53.050 -0.131 0.000 0.879 396 N CB 0.175 38.586 38.487 -0.127 0.000 1.157 396 N HN 0.244 nan 8.380 nan 0.000 0.503 397 N N -0.028 118.547 118.700 -0.208 0.000 2.512 397 N HA -0.059 4.681 4.740 0.001 0.000 0.183 397 N C 1.127 176.503 175.510 -0.222 0.000 1.073 397 N CA 0.426 53.328 53.050 -0.246 0.000 0.911 397 N CB 0.248 38.506 38.487 -0.382 0.000 0.964 397 N HN 0.404 nan 8.380 nan 0.000 0.447 398 S N 0.926 116.515 115.700 -0.186 0.000 2.399 398 S HA -0.035 4.436 4.470 0.001 0.000 0.231 398 S C 2.021 176.575 174.600 -0.077 0.000 1.022 398 S CA 0.595 58.715 58.200 -0.133 0.000 0.983 398 S CB -0.195 62.952 63.200 -0.089 0.000 0.803 398 S HN 0.318 nan 8.310 nan 0.000 0.480 399 I N 0.934 121.463 120.570 -0.067 0.000 2.252 399 I HA -0.146 4.025 4.170 0.001 0.000 0.245 399 I C 2.394 178.658 176.117 0.244 0.000 1.102 399 I CA 0.823 62.163 61.300 0.067 0.000 1.385 399 I CB -0.381 37.552 38.000 -0.112 0.000 1.064 399 I HN 0.238 nan 8.210 nan 0.000 0.414 400 L N 0.868 122.088 121.223 -0.005 0.000 2.017 400 L HA -0.176 4.164 4.340 0.001 0.000 0.208 400 L C 2.305 179.110 176.870 -0.109 0.000 1.073 400 L CA 1.859 56.520 54.840 -0.297 0.000 0.745 400 L CB -0.530 41.267 42.059 -0.437 0.000 0.894 400 L HN 0.129 nan 8.230 nan 0.000 0.432 401 L N -0.653 120.493 121.223 -0.129 0.000 2.083 401 L HA -0.204 4.136 4.340 0.001 0.000 0.209 401 L C 2.541 179.386 176.870 -0.040 0.000 1.083 401 L CA 1.457 56.215 54.840 -0.138 0.000 0.752 401 L CB -0.582 41.363 42.059 -0.190 0.000 0.899 401 L HN 0.405 nan 8.230 nan 0.000 0.433 402 E N -0.026 120.149 120.200 -0.041 0.000 2.023 402 E HA -0.238 4.113 4.350 0.001 0.000 0.196 402 E C 2.126 178.642 176.600 -0.140 0.000 1.003 402 E CA 1.718 58.043 56.400 -0.125 0.000 0.809 402 E CB -0.035 29.540 29.700 -0.208 0.000 0.755 402 E HN 0.476 nan 8.360 nan 0.000 0.449 403 H N -0.818 118.343 119.070 0.152 0.000 2.520 403 H HA 0.274 4.830 4.556 0.001 0.000 0.279 403 H C 1.064 176.486 175.328 0.156 0.000 0.990 403 H CA 0.705 56.858 56.048 0.176 0.000 1.288 403 H CB 0.373 30.287 29.762 0.253 0.000 1.446 403 H HN 0.319 nan 8.280 nan 0.000 0.538 404 G N 1.165 110.110 108.800 0.242 0.000 2.758 404 G HA2 -0.226 3.735 3.960 0.001 0.000 0.686 404 G HA3 -0.226 3.735 3.960 0.001 0.000 0.686 404 G C 0.593 175.564 174.900 0.117 0.000 1.389 404 G CA -0.195 44.999 45.100 0.157 0.000 0.845 404 G HN 0.143 nan 8.290 nan 0.000 0.572 405 L N 0.842 122.070 121.223 0.009 0.000 2.012 405 L HA -0.111 4.229 4.340 0.001 0.000 0.210 405 L C 3.248 180.136 176.870 0.031 0.000 1.073 405 L CA 3.096 57.907 54.840 -0.047 0.000 0.748 405 L CB -1.816 40.161 42.059 -0.137 0.000 0.891 405 L HN 0.877 nan 8.230 nan 0.000 0.431 406 T N -0.939 113.628 114.554 0.022 0.000 2.684 406 T HA -0.278 4.073 4.350 0.001 0.000 0.267 406 T C 1.818 176.550 174.700 0.053 0.000 1.036 406 T CA 1.746 63.860 62.100 0.023 0.000 1.148 406 T CB -0.141 68.737 68.868 0.017 0.000 0.863 406 T HN 0.198 nan 8.240 nan 0.000 0.436 407 Q N 0.016 119.872 119.800 0.094 0.000 2.119 407 Q HA 0.011 4.352 4.340 0.001 0.000 0.201 407 Q C 1.819 177.819 176.000 -0.001 0.000 0.972 407 Q CA 1.338 57.184 55.803 0.072 0.000 0.847 407 Q CB -0.619 28.203 28.738 0.141 0.000 0.903 407 Q HN 0.485 nan 8.270 nan 0.000 0.433 408 F N -0.862 118.987 119.950 -0.169 0.000 2.095 408 F HA -0.204 4.324 4.527 0.001 0.000 0.298 408 F C 2.184 177.835 175.800 -0.249 0.000 1.104 408 F CA 1.245 59.033 58.000 -0.353 0.000 1.232 408 F CB -0.635 38.222 39.000 -0.237 0.000 0.987 408 F HN -0.051 nan 8.300 nan 0.000 0.475 409 V N -0.254 119.709 119.914 0.083 0.000 2.295 409 V HA -0.283 3.837 4.120 0.001 0.000 0.246 409 V C 2.173 178.305 176.094 0.062 0.000 1.049 409 V CA 2.084 64.429 62.300 0.075 0.000 1.024 409 V CB -0.612 31.220 31.823 0.015 0.000 0.648 409 V HN 0.311 nan 8.190 nan 0.000 0.447 410 E N 0.040 120.257 120.200 0.027 0.000 2.058 410 E HA -0.187 4.163 4.350 0.001 0.000 0.194 410 E C 2.414 179.026 176.600 0.021 0.000 0.997 410 E CA 1.719 58.141 56.400 0.036 0.000 0.801 410 E CB -0.208 29.506 29.700 0.024 0.000 0.746 410 E HN 0.524 nan 8.360 nan 0.000 0.450 411 S N 0.267 115.922 115.700 -0.075 0.000 2.357 411 S HA -0.074 4.397 4.470 0.001 0.000 0.221 411 S C 1.599 176.233 174.600 0.057 0.000 1.031 411 S CA 0.712 58.845 58.200 -0.113 0.000 0.982 411 S CB -0.172 62.816 63.200 -0.353 0.000 0.853 411 S HN 0.168 nan 8.310 nan 0.000 0.458 412 F N 2.295 122.259 119.950 0.023 0.000 2.293 412 F HA 0.012 4.539 4.527 0.001 0.000 0.300 412 F C 2.594 178.464 175.800 0.117 0.000 1.086 412 F CA 0.465 58.524 58.000 0.099 0.000 1.375 412 F CB -1.587 37.526 39.000 0.188 0.000 1.045 412 F HN 0.148 nan 8.300 nan 0.000 0.516 413 T N -0.658 114.059 114.554 0.271 0.000 2.951 413 T HA -0.094 4.256 4.350 0.001 0.000 0.268 413 T C 2.107 176.905 174.700 0.163 0.000 1.073 413 T CA 0.926 63.141 62.100 0.191 0.000 1.134 413 T CB -0.042 68.912 68.868 0.143 0.000 0.884 413 T HN 0.219 nan 8.240 nan 0.000 0.479 414 R N 0.547 121.133 120.500 0.142 0.000 2.173 414 R HA 0.172 4.512 4.340 0.001 0.000 0.208 414 R C 1.293 177.647 176.300 0.090 0.000 1.035 414 R CA 0.133 56.292 56.100 0.099 0.000 1.004 414 R CB 0.173 30.510 30.300 0.062 0.000 0.917 414 R HN 0.380 nan 8.270 nan 0.000 0.462 415 Q N 1.746 121.620 119.800 0.122 0.000 2.279 415 Q HA 0.193 4.533 4.340 0.001 0.000 0.256 415 Q C -0.700 175.349 176.000 0.082 0.000 0.937 415 Q CA -0.201 55.654 55.803 0.086 0.000 0.933 415 Q CB 0.950 29.753 28.738 0.109 0.000 1.189 415 Q HN 0.118 nan 8.270 nan 0.000 0.417 416 I N 3.218 123.829 120.570 0.068 0.000 2.638 416 I HA 0.356 4.526 4.170 0.001 0.000 0.286 416 I C -0.406 175.806 176.117 0.159 0.000 1.088 416 I CA 0.055 61.419 61.300 0.107 0.000 1.397 416 I CB 0.924 39.001 38.000 0.129 0.000 1.414 416 I HN 0.824 nan 8.210 nan 0.000 0.566 417 A N 5.170 128.081 122.820 0.153 0.000 2.269 417 A HA 0.723 5.043 4.320 0.001 0.000 0.319 417 A C 0.165 177.882 177.584 0.222 0.000 1.110 417 A CA -0.174 51.973 52.037 0.183 0.000 0.847 417 A CB 0.571 19.641 19.000 0.118 0.000 1.161 417 A HN 0.860 nan 8.150 nan 0.000 0.497 418 G N -0.207 108.733 108.800 0.234 0.000 2.503 418 G HA2 0.446 4.406 3.960 0.001 0.000 0.257 418 G HA3 0.446 4.406 3.960 0.001 0.000 0.257 418 G C 0.216 175.022 174.900 -0.156 0.000 1.214 418 G CA -0.533 44.516 45.100 -0.085 0.000 0.839 418 G HN 0.879 nan 8.290 nan 0.000 0.559 419 R N 0.882 121.220 120.500 -0.269 0.000 2.590 419 R HA 0.215 4.556 4.340 0.001 0.000 0.274 419 R C 0.822 177.022 176.300 -0.167 0.000 1.061 419 R CA -0.454 55.501 56.100 -0.242 0.000 1.081 419 R CB 0.808 30.961 30.300 -0.245 0.000 0.984 419 R HN 0.265 nan 8.270 nan 0.000 0.448 420 V N 3.442 123.250 119.914 -0.178 0.000 2.403 420 V HA 0.095 4.216 4.120 0.001 0.000 0.239 420 V C 1.012 177.082 176.094 -0.040 0.000 1.041 420 V CA 1.435 63.690 62.300 -0.074 0.000 1.051 420 V CB -0.396 31.383 31.823 -0.072 0.000 0.704 420 V HN 0.919 nan 8.190 nan 0.000 0.472 421 A N -0.514 122.288 122.820 -0.030 0.000 2.267 421 A HA 0.521 4.842 4.320 0.001 0.000 0.271 421 A C 1.528 179.072 177.584 -0.066 0.000 1.131 421 A CA 0.602 52.620 52.037 -0.031 0.000 0.818 421 A CB -0.292 18.710 19.000 0.004 0.000 1.118 421 A HN 1.420 nan 8.150 nan 0.000 0.501 422 G N -2.152 106.611 108.800 -0.061 0.000 2.213 422 G HA2 0.362 4.322 3.960 0.001 0.000 0.236 422 G HA3 0.362 4.322 3.960 0.001 0.000 0.236 422 G C 1.604 176.466 174.900 -0.063 0.000 0.991 422 G CA 0.626 45.685 45.100 -0.067 0.000 0.629 422 G HN 3.076 nan 8.290 nan 0.000 0.517 423 G N -0.626 108.138 108.800 -0.060 0.000 2.690 423 G HA2 0.314 4.274 3.960 0.001 0.000 0.686 423 G HA3 0.314 4.274 3.960 0.001 0.000 0.686 423 G C 0.228 175.101 174.900 -0.043 0.000 1.277 423 G CA 0.282 45.352 45.100 -0.050 0.000 0.799 423 G HN 1.652 nan 8.290 nan 0.000 0.613 424 R N -0.794 119.689 120.500 -0.028 0.000 3.225 424 R HA -0.227 4.113 4.340 0.001 0.000 0.245 424 R C 0.491 176.781 176.300 -0.015 0.000 0.928 424 R CA 1.074 57.165 56.100 -0.016 0.000 0.632 424 R CB -1.139 29.149 30.300 -0.019 0.000 1.038 424 R HN 0.671 nan 8.270 nan 0.000 0.461 425 N N -0.574 118.124 118.700 -0.004 0.000 2.232 425 N HA 0.091 4.832 4.740 0.001 0.000 0.240 425 N C -0.911 174.640 175.510 0.068 0.000 1.307 425 N CA -0.041 53.013 53.050 0.006 0.000 0.859 425 N CB 1.155 39.609 38.487 -0.054 0.000 1.260 425 N HN 0.061 nan 8.380 nan 0.000 0.501 426 V N 2.915 122.876 119.914 0.077 0.000 2.427 426 V HA 0.336 4.457 4.120 0.001 0.000 0.268 426 V C -1.996 174.152 176.094 0.090 0.000 1.046 426 V CA -1.393 60.978 62.300 0.118 0.000 0.970 426 V CB 0.924 32.819 31.823 0.120 0.000 1.001 426 V HN 0.119 nan 8.190 nan 0.000 0.476 427 P HA 0.146 nan 4.420 nan 0.000 0.265 427 P C 1.035 178.299 177.300 -0.059 0.000 1.193 427 P CA 0.175 63.296 63.100 0.035 0.000 0.765 427 P CB 0.642 32.374 31.700 0.054 0.000 0.823 428 I N 2.352 122.876 120.570 -0.075 0.000 2.361 428 I HA -0.281 3.889 4.170 0.001 0.000 0.251 428 I C 2.183 178.205 176.117 -0.159 0.000 1.133 428 I CA 1.566 62.816 61.300 -0.083 0.000 1.413 428 I CB -0.499 37.470 38.000 -0.052 0.000 1.073 428 I HN 0.384 nan 8.210 nan 0.000 0.424 429 A N -0.408 122.218 122.820 -0.323 0.000 2.084 429 A HA -0.150 4.171 4.320 0.001 0.000 0.221 429 A C 2.050 179.434 177.584 -0.335 0.000 1.161 429 A CA 1.609 53.362 52.037 -0.474 0.000 0.653 429 A CB -0.370 17.884 19.000 -1.244 0.000 0.802 429 A HN 0.314 nan 8.150 nan 0.000 0.457 430 V N 0.308 120.068 119.914 -0.257 0.000 3.078 430 V HA 0.023 4.143 4.120 0.001 0.000 0.344 430 V C 1.749 177.785 176.094 -0.098 0.000 1.409 430 V CA 0.584 62.792 62.300 -0.154 0.000 1.146 430 V CB -0.045 31.703 31.823 -0.125 0.000 1.126 430 V HN 0.871 nan 8.190 nan 0.000 0.513 431 Q N 0.568 120.326 119.800 -0.071 0.000 2.170 431 Q HA -0.130 4.210 4.340 0.001 0.000 0.203 431 Q C 1.957 177.944 176.000 -0.021 0.000 0.976 431 Q CA 2.050 57.837 55.803 -0.027 0.000 0.858 431 Q CB -0.395 28.331 28.738 -0.021 0.000 0.907 431 Q HN 0.547 nan 8.270 nan 0.000 0.433 432 A N 1.097 123.897 122.820 -0.034 0.000 1.933 432 A HA -0.090 4.230 4.320 0.001 0.000 0.218 432 A C 2.315 179.877 177.584 -0.037 0.000 1.175 432 A CA 1.473 53.493 52.037 -0.028 0.000 0.628 432 A CB -0.642 18.343 19.000 -0.024 0.000 0.814 432 A HN 0.268 nan 8.150 nan 0.000 0.444 433 V N -0.270 119.608 119.914 -0.061 0.000 2.358 433 V HA -0.198 3.922 4.120 0.001 0.000 0.246 433 V C 3.019 179.091 176.094 -0.037 0.000 1.047 433 V CA 1.788 64.043 62.300 -0.073 0.000 1.035 433 V CB -1.258 30.433 31.823 -0.219 0.000 0.658 433 V HN 0.592 nan 8.190 nan 0.000 0.452 434 A N -0.268 122.557 122.820 0.009 0.000 1.933 434 A HA -0.247 4.074 4.320 0.001 0.000 0.218 434 A C 2.361 179.978 177.584 0.055 0.000 1.175 434 A CA 2.116 54.225 52.037 0.120 0.000 0.628 434 A CB -0.458 18.657 19.000 0.192 0.000 0.814 434 A HN 0.498 nan 8.150 nan 0.000 0.444 435 K N -0.400 120.012 120.400 0.020 0.000 2.057 435 K HA -0.047 4.274 4.320 0.001 0.000 0.206 435 K C 2.136 178.704 176.600 -0.053 0.000 1.050 435 K CA 1.062 57.352 56.287 0.004 0.000 0.935 435 K CB -0.280 32.221 32.500 0.000 0.000 0.715 435 K HN 0.378 nan 8.250 nan 0.000 0.439 436 A N 0.510 123.284 122.820 -0.076 0.000 1.972 436 A HA -0.109 4.212 4.320 0.001 0.000 0.219 436 A C 2.088 179.545 177.584 -0.213 0.000 1.169 436 A CA 1.828 53.802 52.037 -0.106 0.000 0.635 436 A CB -0.422 18.535 19.000 -0.071 0.000 0.810 436 A HN 0.318 nan 8.150 nan 0.000 0.446 437 S N -0.060 115.432 115.700 -0.347 0.000 2.368 437 S HA -0.108 4.362 4.470 0.001 0.000 0.225 437 S C 1.787 176.022 174.600 -0.608 0.000 1.030 437 S CA 1.470 59.238 58.200 -0.720 0.000 0.999 437 S CB -0.451 61.913 63.200 -1.394 0.000 0.844 437 S HN 0.575 nan 8.310 nan 0.000 0.459 438 I N 1.696 122.067 120.570 -0.332 0.000 2.163 438 I HA -0.174 3.996 4.170 0.001 0.000 0.240 438 I C 2.012 178.056 176.117 -0.122 0.000 1.081 438 I CA 1.192 62.431 61.300 -0.103 0.000 1.353 438 I CB -0.432 37.608 38.000 0.067 0.000 1.054 438 I HN 0.162 nan 8.210 nan 0.000 0.407 439 D N 0.470 120.805 120.400 -0.109 0.000 2.144 439 D HA -0.177 4.463 4.640 0.001 0.000 0.200 439 D C 2.237 178.472 176.300 -0.107 0.000 0.978 439 D CA 1.212 55.165 54.000 -0.078 0.000 0.833 439 D CB -0.194 40.574 40.800 -0.054 0.000 0.961 439 D HN 0.436 nan 8.370 nan 0.000 0.470 440 Q N 0.072 119.773 119.800 -0.164 0.000 2.187 440 Q HA 0.002 4.342 4.340 0.001 0.000 0.199 440 Q C 2.259 178.097 176.000 -0.270 0.000 0.957 440 Q CA 0.592 56.294 55.803 -0.169 0.000 0.857 440 Q CB 0.157 28.798 28.738 -0.162 0.000 0.929 440 Q HN 0.055 nan 8.270 nan 0.000 0.453 441 S N 0.731 116.177 115.700 -0.423 0.000 2.359 441 S HA -0.176 4.295 4.470 0.001 0.000 0.224 441 S C 1.782 176.176 174.600 -0.343 0.000 1.035 441 S CA 1.266 59.043 58.200 -0.706 0.000 1.018 441 S CB -0.115 62.696 63.200 -0.648 0.000 0.876 441 S HN 0.330 nan 8.310 nan 0.000 0.448 442 R N 0.855 121.265 120.500 -0.150 0.000 2.075 442 R HA -0.002 4.338 4.340 0.001 0.000 0.232 442 R C 2.434 178.735 176.300 0.002 0.000 1.126 442 R CA 1.095 57.182 56.100 -0.022 0.000 0.963 442 R CB -0.253 30.047 30.300 0.001 0.000 0.858 442 R HN 0.475 nan 8.270 nan 0.000 0.435 443 E N 0.768 120.953 120.200 -0.026 0.000 2.118 443 E HA -0.171 4.179 4.350 0.001 0.000 0.195 443 E C 1.505 178.133 176.600 0.045 0.000 0.992 443 E CA 1.123 57.530 56.400 0.012 0.000 0.804 443 E CB 0.108 29.808 29.700 0.001 0.000 0.741 443 E HN 0.295 nan 8.360 nan 0.000 0.458 444 M N 0.232 119.851 119.600 0.031 0.000 2.563 444 M HA 0.027 4.507 4.480 0.001 0.000 0.231 444 M C -0.354 176.072 176.300 0.209 0.000 1.136 444 M CA 0.204 55.574 55.300 0.117 0.000 1.026 444 M CB 0.580 33.261 32.600 0.135 0.000 1.597 444 M HN -0.177 nan 8.290 nan 0.000 0.495 445 K N -0.161 120.339 120.400 0.167 0.000 3.150 445 K HA -0.191 4.129 4.320 0.001 0.000 0.267 445 K C -1.261 175.504 176.600 0.275 0.000 1.028 445 K CA 0.659 57.051 56.287 0.174 0.000 0.753 445 K CB -2.645 29.924 32.500 0.115 0.000 1.288 445 K HN 0.294 nan 8.250 nan 0.000 0.473 446 Y N 1.269 121.622 120.300 0.089 0.000 2.610 446 Y HA -0.014 4.536 4.550 0.001 0.000 0.332 446 Y C 1.852 177.858 175.900 0.178 0.000 1.201 446 Y CA 0.038 58.239 58.100 0.168 0.000 1.465 446 Y CB 0.476 39.027 38.460 0.152 0.000 1.283 446 Y HN 0.178 nan 8.280 nan 0.000 0.563 447 Q N 1.086 121.051 119.800 0.275 0.000 2.584 447 Q HA 0.217 4.558 4.340 0.001 0.000 0.218 447 Q C 0.353 176.530 176.000 0.295 0.000 1.079 447 Q CA -0.293 55.598 55.803 0.147 0.000 1.008 447 Q CB 0.446 29.112 28.738 -0.121 0.000 1.267 447 Q HN 0.795 nan 8.270 nan 0.000 0.586 448 S N -0.219 115.584 115.700 0.173 0.000 2.608 448 S HA 0.025 4.496 4.470 0.001 0.000 0.261 448 S C 0.933 175.691 174.600 0.263 0.000 1.314 448 S CA -0.607 57.706 58.200 0.187 0.000 0.992 448 S CB 0.486 63.742 63.200 0.094 0.000 0.935 448 S HN 0.650 nan 8.310 nan 0.000 0.564 449 L N 1.156 122.493 121.223 0.189 0.000 2.013 449 L HA -0.132 4.208 4.340 0.001 0.000 0.212 449 L C 1.957 178.923 176.870 0.160 0.000 1.073 449 L CA 2.069 57.018 54.840 0.182 0.000 0.753 449 L CB -1.237 40.881 42.059 0.097 0.000 0.890 449 L HN 0.722 nan 8.230 nan 0.000 0.432 450 N N -0.401 118.348 118.700 0.081 0.000 2.270 450 N HA -0.135 4.606 4.740 0.001 0.000 0.181 450 N C 1.745 177.258 175.510 0.006 0.000 1.016 450 N CA 1.043 54.107 53.050 0.023 0.000 0.870 450 N CB -0.189 38.291 38.487 -0.013 0.000 0.979 450 N HN 0.448 nan 8.380 nan 0.000 0.431 451 E N 0.100 120.299 120.200 -0.003 0.000 2.077 451 E HA -0.135 4.215 4.350 0.001 0.000 0.193 451 E C 1.760 178.295 176.600 -0.109 0.000 0.989 451 E CA 0.890 57.232 56.400 -0.097 0.000 0.800 451 E CB -0.461 29.135 29.700 -0.172 0.000 0.746 451 E HN 0.483 nan 8.360 nan 0.000 0.452 452 Y N 0.986 121.313 120.300 0.046 0.000 2.224 452 Y HA -0.113 4.438 4.550 0.001 0.000 0.289 452 Y C 2.578 178.567 175.900 0.148 0.000 1.146 452 Y CA 1.217 59.389 58.100 0.120 0.000 1.182 452 Y CB -0.117 38.408 38.460 0.109 0.000 0.983 452 Y HN -0.023 nan 8.280 nan 0.000 0.524 453 R N 0.097 120.707 120.500 0.183 0.000 2.081 453 R HA -0.173 4.167 4.340 0.001 0.000 0.235 453 R C 2.125 178.456 176.300 0.051 0.000 1.131 453 R CA 1.694 57.841 56.100 0.079 0.000 0.960 453 R CB -0.213 30.056 30.300 -0.051 0.000 0.856 453 R HN 0.265 nan 8.270 nan 0.000 0.436 454 K N -0.010 120.389 120.400 -0.002 0.000 2.057 454 K HA -0.183 4.137 4.320 0.001 0.000 0.207 454 K C 2.059 178.627 176.600 -0.053 0.000 1.049 454 K CA 1.381 57.640 56.287 -0.047 0.000 0.931 454 K CB -0.120 32.329 32.500 -0.086 0.000 0.714 454 K HN -0.085 nan 8.250 nan 0.000 0.440 455 R N 0.455 120.926 120.500 -0.047 0.000 2.159 455 R HA -0.096 4.245 4.340 0.001 0.000 0.237 455 R C 0.574 176.672 176.300 -0.336 0.000 1.131 455 R CA 1.508 57.504 56.100 -0.173 0.000 0.982 455 R CB -0.232 29.977 30.300 -0.151 0.000 0.868 455 R HN 0.129 nan 8.270 nan 0.000 0.453 456 F N 0.226 120.132 119.950 -0.074 0.000 2.772 456 F HA 0.320 4.848 4.527 0.001 0.000 0.302 456 F C 0.308 176.061 175.800 -0.078 0.000 1.136 456 F CA -0.132 57.805 58.000 -0.105 0.000 1.322 456 F CB 0.461 39.397 39.000 -0.107 0.000 0.967 456 F HN -0.092 nan 8.300 nan 0.000 0.513 457 S N 0.786 116.503 115.700 0.027 0.000 3.635 457 S HA -0.188 4.282 4.470 0.001 0.000 0.328 457 S C -0.117 174.501 174.600 0.029 0.000 1.135 457 S CA 0.311 58.529 58.200 0.031 0.000 0.942 457 S CB -2.037 61.206 63.200 0.071 0.000 0.930 457 S HN 0.311 nan 8.310 nan 0.000 0.512 458 L N 0.123 121.352 121.223 0.010 0.000 2.330 458 L HA 0.537 4.877 4.340 0.001 0.000 0.271 458 L C 0.496 177.313 176.870 -0.089 0.000 1.013 458 L CA -0.880 53.936 54.840 -0.040 0.000 0.816 458 L CB 1.048 43.070 42.059 -0.061 0.000 1.287 458 L HN -0.023 nan 8.230 nan 0.000 0.435 459 K N 1.985 122.309 120.400 -0.127 0.000 2.339 459 K HA 0.267 4.588 4.320 0.001 0.000 0.286 459 K C -2.315 174.146 176.600 -0.230 0.000 1.050 459 K CA -1.566 54.637 56.287 -0.140 0.000 0.956 459 K CB 0.863 33.296 32.500 -0.112 0.000 0.990 459 K HN 0.201 nan 8.250 nan 0.000 0.475 460 P HA -0.102 nan 4.420 nan 0.000 0.265 460 P C -1.000 176.202 177.300 -0.164 0.000 1.187 460 P CA 0.391 63.395 63.100 -0.161 0.000 0.766 460 P CB 0.227 31.876 31.700 -0.085 0.000 0.820 461 Y N 0.562 120.818 120.300 -0.073 0.000 2.425 461 Y HA 0.072 4.622 4.550 0.001 0.000 0.331 461 Y C 2.099 177.926 175.900 -0.121 0.000 1.157 461 Y CA 0.305 58.347 58.100 -0.097 0.000 1.372 461 Y CB 0.482 38.864 38.460 -0.130 0.000 1.253 461 Y HN 0.399 nan 8.280 nan 0.000 0.536 462 T N -2.552 112.053 114.554 0.085 0.000 3.040 462 T HA 0.209 4.560 4.350 0.001 0.000 0.250 462 T C 0.140 174.819 174.700 -0.035 0.000 1.058 462 T CA 0.302 62.405 62.100 0.005 0.000 0.988 462 T CB -0.048 68.830 68.868 0.016 0.000 0.993 462 T HN 0.512 nan 8.240 nan 0.000 0.519 463 S N -0.956 114.705 115.700 -0.066 0.000 2.588 463 S HA 0.573 5.044 4.470 0.001 0.000 0.269 463 S C -0.210 174.267 174.600 -0.204 0.000 1.157 463 S CA -0.928 57.208 58.200 -0.107 0.000 0.824 463 S CB 0.214 63.419 63.200 0.007 0.000 1.126 463 S HN -0.067 nan 8.310 nan 0.000 0.464 464 F N 1.058 120.977 119.950 -0.052 0.000 2.293 464 F HA 0.108 4.636 4.527 0.001 0.000 0.300 464 F C 2.516 178.241 175.800 -0.125 0.000 1.086 464 F CA 1.320 59.261 58.000 -0.099 0.000 1.375 464 F CB -0.227 38.739 39.000 -0.057 0.000 1.045 464 F HN 0.690 nan 8.300 nan 0.000 0.516 465 E N -0.000 120.249 120.200 0.082 0.000 2.150 465 E HA -0.223 4.127 4.350 0.001 0.000 0.193 465 E C 2.074 178.642 176.600 -0.052 0.000 0.985 465 E CA 0.943 57.354 56.400 0.017 0.000 0.814 465 E CB -0.187 29.532 29.700 0.031 0.000 0.752 465 E HN 0.499 nan 8.360 nan 0.000 0.466 466 E N 0.760 120.914 120.200 -0.077 0.000 2.110 466 E HA -0.204 4.147 4.350 0.001 0.000 0.193 466 E C 2.164 178.558 176.600 -0.343 0.000 0.988 466 E CA 0.559 56.903 56.400 -0.094 0.000 0.804 466 E CB 0.068 29.785 29.700 0.029 0.000 0.745 466 E HN 0.101 nan 8.360 nan 0.000 0.458 467 L N 0.729 121.591 121.223 -0.602 0.000 2.017 467 L HA -0.143 4.197 4.340 0.001 0.000 0.208 467 L C 2.501 179.116 176.870 -0.425 0.000 1.073 467 L CA 2.698 56.968 54.840 -0.950 0.000 0.745 467 L CB -0.885 40.752 42.059 -0.703 0.000 0.894 467 L HN 0.272 nan 8.230 nan 0.000 0.432 468 T N -4.162 110.263 114.554 -0.216 0.000 3.035 468 T HA 0.260 4.611 4.350 0.001 0.000 0.259 468 T C 1.579 176.230 174.700 -0.081 0.000 1.078 468 T CA 0.493 62.524 62.100 -0.115 0.000 1.132 468 T CB -0.330 68.503 68.868 -0.059 0.000 0.900 468 T HN 0.746 nan 8.240 nan 0.000 0.480 469 G N 1.784 110.539 108.800 -0.075 0.000 2.148 469 G HA2 -0.175 3.785 3.960 0.001 0.000 0.254 469 G HA3 -0.175 3.785 3.960 0.001 0.000 0.254 469 G C -0.141 174.744 174.900 -0.025 0.000 0.981 469 G CA 0.685 45.762 45.100 -0.038 0.000 0.670 469 G HN 1.008 nan 8.290 nan 0.000 0.528 470 E N -2.152 118.033 120.200 -0.026 0.000 2.415 470 E HA 0.818 5.169 4.350 0.001 0.000 0.255 470 E C 0.799 177.394 176.600 -0.009 0.000 0.936 470 E CA -0.822 55.567 56.400 -0.017 0.000 0.876 470 E CB 0.267 29.954 29.700 -0.022 0.000 1.696 470 E HN -0.022 nan 8.360 nan 0.000 0.435 471 K N -0.526 119.870 120.400 -0.008 0.000 2.403 471 K HA 0.135 4.456 4.320 0.001 0.000 0.199 471 K C 1.601 178.196 176.600 -0.009 0.000 1.199 471 K CA 0.443 56.728 56.287 -0.003 0.000 0.924 471 K CB 0.493 32.992 32.500 -0.003 0.000 1.137 471 K HN 0.606 nan 8.250 nan 0.000 0.510 472 E N 1.632 121.823 120.200 -0.015 0.000 2.028 472 E HA -0.053 4.298 4.350 0.001 0.000 0.190 472 E C 2.027 178.611 176.600 -0.026 0.000 0.984 472 E CA 0.878 57.266 56.400 -0.020 0.000 0.800 472 E CB 0.122 29.811 29.700 -0.019 0.000 0.758 472 E HN 0.100 nan 8.360 nan 0.000 0.448 473 M N 0.422 120.008 119.600 -0.024 0.000 2.159 473 M HA -0.107 4.373 4.480 0.001 0.000 0.263 473 M C 2.443 178.723 176.300 -0.033 0.000 1.063 473 M CA 1.274 56.558 55.300 -0.027 0.000 1.110 473 M CB -0.167 32.419 32.600 -0.023 0.000 1.374 473 M HN 0.221 nan 8.290 nan 0.000 0.411 474 A N 0.660 123.471 122.820 -0.016 0.000 1.908 474 A HA -0.134 4.186 4.320 0.001 0.000 0.218 474 A C 2.374 179.914 177.584 -0.074 0.000 1.181 474 A CA 2.144 54.187 52.037 0.010 0.000 0.627 474 A CB -0.941 18.089 19.000 0.050 0.000 0.818 474 A HN 0.508 nan 8.150 nan 0.000 0.445 475 A N -0.742 122.042 122.820 -0.061 0.000 1.930 475 A HA -0.106 4.214 4.320 0.001 0.000 0.217 475 A C 1.955 179.465 177.584 -0.124 0.000 1.175 475 A CA 1.572 53.560 52.037 -0.081 0.000 0.627 475 A CB -0.388 18.586 19.000 -0.044 0.000 0.815 475 A HN 0.470 nan 8.150 nan 0.000 0.443 476 E N 0.176 120.314 120.200 -0.102 0.000 2.051 476 E HA -0.151 4.199 4.350 0.001 0.000 0.192 476 E C 2.057 178.569 176.600 -0.148 0.000 0.991 476 E CA 1.035 57.377 56.400 -0.097 0.000 0.799 476 E CB -0.457 29.208 29.700 -0.058 0.000 0.748 476 E HN 0.670 nan 8.360 nan 0.000 0.449 477 L N 0.737 121.839 121.223 -0.202 0.000 2.083 477 L HA -0.180 4.160 4.340 0.001 0.000 0.209 477 L C 2.651 179.094 176.870 -0.712 0.000 1.083 477 L CA 1.336 56.005 54.840 -0.284 0.000 0.752 477 L CB -0.347 41.561 42.059 -0.251 0.000 0.899 477 L HN 0.079 nan 8.230 nan 0.000 0.433 478 K N 0.590 120.430 120.400 -0.933 0.000 2.097 478 K HA -0.146 4.174 4.320 0.001 0.000 0.205 478 K C 2.078 178.486 176.600 -0.321 0.000 1.050 478 K CA 1.347 57.111 56.287 -0.872 0.000 0.938 478 K CB -0.133 32.133 32.500 -0.390 0.000 0.718 478 K HN 0.207 nan 8.250 nan 0.000 0.442 479 A N 0.900 123.589 122.820 -0.218 0.000 1.969 479 A HA -0.053 4.267 4.320 0.001 0.000 0.218 479 A C 2.070 179.584 177.584 -0.117 0.000 1.169 479 A CA 1.220 53.185 52.037 -0.121 0.000 0.635 479 A CB -0.473 18.471 19.000 -0.094 0.000 0.810 479 A HN 0.341 nan 8.150 nan 0.000 0.445 480 L N -2.910 118.222 121.223 -0.151 0.000 2.068 480 L HA -0.069 4.271 4.340 0.001 0.000 0.204 480 L C 2.301 179.028 176.870 -0.238 0.000 1.076 480 L CA 1.193 55.911 54.840 -0.203 0.000 0.753 480 L CB -0.306 41.607 42.059 -0.243 0.000 0.910 480 L HN 0.476 nan 8.230 nan 0.000 0.439 481 Y N -1.613 118.633 120.300 -0.091 0.000 2.507 481 Y HA 0.031 4.582 4.550 0.001 0.000 0.263 481 Y C 1.973 177.943 175.900 0.115 0.000 1.093 481 Y CA 0.485 58.620 58.100 0.058 0.000 1.285 481 Y CB 0.597 39.187 38.460 0.217 0.000 1.115 481 Y HN 0.087 nan 8.280 nan 0.000 0.533 482 S N -0.990 114.828 115.700 0.197 0.000 1.703 482 S HA -0.274 4.196 4.470 0.001 0.000 0.232 482 S C -0.049 174.749 174.600 0.329 0.000 0.865 482 S CA 1.748 60.061 58.200 0.188 0.000 1.462 482 S CB -1.182 62.092 63.200 0.123 0.000 1.879 482 S HN 0.518 nan 8.310 nan 0.000 0.532 483 D N 0.221 120.847 120.400 0.377 0.000 2.391 483 D HA 0.588 5.229 4.640 0.001 0.000 0.245 483 D C 0.584 176.997 176.300 0.188 0.000 1.069 483 D CA -0.567 53.589 54.000 0.260 0.000 0.831 483 D CB 1.327 42.219 40.800 0.154 0.000 1.204 483 D HN 0.082 nan 8.370 nan 0.000 0.503 484 I N 2.858 123.334 120.570 -0.157 0.000 2.361 484 I HA -0.169 4.002 4.170 0.001 0.000 0.251 484 I C 1.083 177.054 176.117 -0.245 0.000 1.133 484 I CA 1.434 62.360 61.300 -0.623 0.000 1.413 484 I CB -0.011 37.606 38.000 -0.639 0.000 1.073 484 I HN 0.363 nan 8.210 nan 0.000 0.424 485 D N -0.415 119.932 120.400 -0.089 0.000 2.378 485 D HA -0.002 4.638 4.640 0.001 0.000 0.227 485 D C 1.926 178.236 176.300 0.017 0.000 1.012 485 D CA 0.619 54.600 54.000 -0.032 0.000 0.905 485 D CB 0.274 41.066 40.800 -0.013 0.000 0.895 485 D HN 0.286 nan 8.370 nan 0.000 0.532 486 V N 0.329 120.277 119.914 0.057 0.000 3.643 486 V HA 0.105 4.225 4.120 0.001 0.000 0.280 486 V C 0.720 176.888 176.094 0.124 0.000 1.351 486 V CA -0.191 62.194 62.300 0.141 0.000 1.073 486 V CB 0.057 32.019 31.823 0.231 0.000 0.863 486 V HN 0.087 nan 8.190 nan 0.000 0.436 487 M N 1.398 120.960 119.600 -0.064 0.000 2.252 487 M HA 0.156 4.637 4.480 0.001 0.000 0.333 487 M C 0.165 176.383 176.300 -0.136 0.000 1.111 487 M CA 0.600 55.687 55.300 -0.356 0.000 1.140 487 M CB -0.009 32.403 32.600 -0.314 0.000 1.538 487 M HN 0.263 nan 8.290 nan 0.000 0.448 488 E N 3.033 123.145 120.200 -0.147 0.000 2.242 488 E HA 0.169 4.520 4.350 0.001 0.000 0.275 488 E C 0.443 177.083 176.600 0.066 0.000 1.002 488 E CA -0.641 55.800 56.400 0.068 0.000 0.841 488 E CB 1.274 31.076 29.700 0.169 0.000 1.109 488 E HN 0.768 nan 8.360 nan 0.000 0.394 489 L N 3.220 124.522 121.223 0.132 0.000 1.970 489 L HA -0.241 4.099 4.340 0.001 0.000 0.212 489 L C 2.083 178.997 176.870 0.075 0.000 1.071 489 L CA 1.955 56.851 54.840 0.093 0.000 0.751 489 L CB -0.680 41.408 42.059 0.048 0.000 0.889 489 L HN 0.732 nan 8.230 nan 0.000 0.432 490 Y N 1.017 121.313 120.300 -0.007 0.000 2.114 490 Y HA -0.115 4.435 4.550 0.001 0.000 0.284 490 Y C -0.600 175.303 175.900 0.006 0.000 1.143 490 Y CA 1.887 59.971 58.100 -0.026 0.000 1.135 490 Y CB -1.910 36.497 38.460 -0.088 0.000 0.980 490 Y HN 0.256 nan 8.280 nan 0.000 0.499 491 P HA -0.143 nan 4.420 nan 0.000 0.218 491 P C 1.427 178.618 177.300 -0.183 0.000 1.149 491 P CA 2.378 65.336 63.100 -0.237 0.000 0.817 491 P CB -0.374 31.336 31.700 0.017 0.000 0.785 492 A N -0.455 122.300 122.820 -0.109 0.000 1.933 492 A HA -0.151 4.169 4.320 0.001 0.000 0.218 492 A C 2.219 179.752 177.584 -0.085 0.000 1.175 492 A CA 1.334 53.324 52.037 -0.079 0.000 0.628 492 A CB -1.645 17.337 19.000 -0.031 0.000 0.814 492 A HN 0.125 nan 8.150 nan 0.000 0.444 493 L N -0.712 120.446 121.223 -0.108 0.000 2.083 493 L HA -0.131 4.210 4.340 0.001 0.000 0.209 493 L C 2.177 178.984 176.870 -0.106 0.000 1.083 493 L CA 0.944 55.730 54.840 -0.090 0.000 0.752 493 L CB -0.361 41.654 42.059 -0.074 0.000 0.899 493 L HN 0.357 nan 8.230 nan 0.000 0.433 494 L N -1.514 119.603 121.223 -0.177 0.000 2.554 494 L HA -0.018 4.322 4.340 0.001 0.000 0.226 494 L C 1.754 178.566 176.870 -0.097 0.000 1.137 494 L CA 0.101 54.859 54.840 -0.136 0.000 0.863 494 L CB 0.263 42.199 42.059 -0.205 0.000 0.985 494 L HN 0.075 nan 8.230 nan 0.000 0.451 495 V N -1.034 118.823 119.914 -0.096 0.000 3.556 495 V HA 0.056 4.176 4.120 0.001 0.000 0.287 495 V C 1.032 177.081 176.094 -0.074 0.000 1.422 495 V CA -0.059 62.196 62.300 -0.074 0.000 1.038 495 V CB 0.672 32.457 31.823 -0.063 0.000 0.850 495 V HN 0.302 nan 8.190 nan 0.000 0.437 496 E N 1.897 122.053 120.200 -0.073 0.000 2.415 496 E HA -0.022 4.328 4.350 0.001 0.000 0.262 496 E C 0.374 176.941 176.600 -0.056 0.000 1.038 496 E CA -0.209 56.148 56.400 -0.073 0.000 0.921 496 E CB 0.445 30.132 29.700 -0.023 0.000 0.950 496 E HN 0.280 nan 8.360 nan 0.000 0.438 497 K N 5.271 125.633 120.400 -0.064 0.000 2.430 497 K HA 0.073 4.393 4.320 0.001 0.000 0.280 497 K C -2.279 174.317 176.600 -0.006 0.000 1.063 497 K CA -1.219 55.047 56.287 -0.035 0.000 1.071 497 K CB 0.329 32.812 32.500 -0.028 0.000 0.899 497 K HN 0.245 nan 8.250 nan 0.000 0.473 498 P HA 0.110 nan 4.420 nan 0.000 0.272 498 P C -0.691 176.618 177.300 0.016 0.000 1.230 498 P CA -0.400 62.692 63.100 -0.015 0.000 0.788 498 P CB 0.550 32.218 31.700 -0.054 0.000 0.949 499 R N 2.390 122.910 120.500 0.032 0.000 2.811 499 R HA 0.137 4.477 4.340 0.001 0.000 0.265 499 R C -1.959 174.381 176.300 0.066 0.000 1.026 499 R CA -1.088 55.072 56.100 0.101 0.000 1.142 499 R CB -1.518 28.905 30.300 0.205 0.000 1.027 499 R HN 0.389 nan 8.270 nan 0.000 0.465 500 P HA -0.044 nan 4.420 nan 0.000 0.261 500 P C -0.887 176.412 177.300 -0.003 0.000 1.203 500 P CA 0.621 63.749 63.100 0.047 0.000 0.767 500 P CB 0.309 32.059 31.700 0.083 0.000 0.785 501 D N -0.064 120.313 120.400 -0.038 0.000 2.911 501 D HA -0.204 4.437 4.640 0.001 0.000 0.227 501 D C 0.239 176.466 176.300 -0.121 0.000 1.164 501 D CA 1.433 55.385 54.000 -0.079 0.000 0.782 501 D CB -1.137 39.617 40.800 -0.076 0.000 1.094 501 D HN 0.481 nan 8.370 nan 0.000 0.425 502 A N -0.126 122.625 122.820 -0.116 0.000 2.299 502 A HA 0.697 5.018 4.320 0.001 0.000 0.332 502 A C 1.240 178.659 177.584 -0.276 0.000 1.131 502 A CA -0.466 51.460 52.037 -0.186 0.000 0.844 502 A CB 1.192 20.136 19.000 -0.095 0.000 1.251 502 A HN 0.131 nan 8.150 nan 0.000 0.486 503 I N -1.009 119.276 120.570 -0.475 0.000 2.716 503 I HA 0.156 4.326 4.170 0.001 0.000 0.259 503 I C -0.692 175.083 176.117 -0.571 0.000 1.172 503 I CA 0.645 61.552 61.300 -0.656 0.000 1.478 503 I CB -0.062 37.299 38.000 -1.066 0.000 1.104 503 I HN 0.466 nan 8.210 nan 0.000 0.439 504 F N -0.331 119.456 119.950 -0.273 0.000 2.593 504 F HA 0.628 5.156 4.527 0.001 0.000 0.320 504 F C 0.783 176.483 175.800 -0.167 0.000 1.060 504 F CA -1.273 56.578 58.000 -0.249 0.000 0.940 504 F CB 0.635 39.467 39.000 -0.280 0.000 1.268 504 F HN -0.249 nan 8.300 nan 0.000 0.475 505 G N -0.372 108.485 108.800 0.094 0.000 2.537 505 G HA2 0.260 4.220 3.960 0.001 0.000 0.297 505 G HA3 0.260 4.220 3.960 0.001 0.000 0.297 505 G C 0.637 175.543 174.900 0.011 0.000 1.310 505 G CA -0.333 44.790 45.100 0.038 0.000 1.027 505 G HN 0.741 nan 8.290 nan 0.000 0.505 506 E N -1.095 119.116 120.200 0.019 0.000 2.097 506 E HA -0.182 4.168 4.350 0.001 0.000 0.196 506 E C 2.255 178.837 176.600 -0.029 0.000 1.000 506 E CA 1.892 58.285 56.400 -0.011 0.000 0.804 506 E CB -0.156 29.559 29.700 0.026 0.000 0.740 506 E HN 0.453 nan 8.360 nan 0.000 0.454 507 T N 0.726 115.278 114.554 -0.004 0.000 2.821 507 T HA -0.155 4.196 4.350 0.001 0.000 0.267 507 T C 1.681 176.324 174.700 -0.095 0.000 1.046 507 T CA 1.326 63.405 62.100 -0.036 0.000 1.139 507 T CB -0.201 68.679 68.868 0.021 0.000 0.871 507 T HN 0.161 nan 8.240 nan 0.000 0.454 508 M N 1.282 120.815 119.600 -0.112 0.000 2.086 508 M HA -0.052 4.429 4.480 0.001 0.000 0.261 508 M C 2.076 178.267 176.300 -0.182 0.000 1.067 508 M CA 1.496 56.672 55.300 -0.206 0.000 1.116 508 M CB -0.551 31.780 32.600 -0.449 0.000 1.348 508 M HN 0.058 nan 8.290 nan 0.000 0.407 509 V N -0.031 119.803 119.914 -0.132 0.000 2.379 509 V HA -0.168 3.952 4.120 0.001 0.000 0.245 509 V C 2.325 178.382 176.094 -0.061 0.000 1.044 509 V CA 1.617 63.881 62.300 -0.060 0.000 1.036 509 V CB -0.868 30.930 31.823 -0.042 0.000 0.664 509 V HN 0.402 nan 8.190 nan 0.000 0.453 510 E N 0.126 120.270 120.200 -0.092 0.000 2.274 510 E HA -0.038 4.312 4.350 0.001 0.000 0.194 510 E C 2.112 178.544 176.600 -0.279 0.000 0.996 510 E CA 0.838 57.177 56.400 -0.101 0.000 0.840 510 E CB -0.033 29.637 29.700 -0.050 0.000 0.772 510 E HN 0.510 nan 8.360 nan 0.000 0.491 511 L N -0.873 120.086 121.223 -0.440 0.000 2.168 511 L HA 0.125 4.466 4.340 0.001 0.000 0.203 511 L C 2.380 178.998 176.870 -0.420 0.000 1.078 511 L CA 1.043 55.354 54.840 -0.882 0.000 0.780 511 L CB -0.849 40.782 42.059 -0.713 0.000 0.939 511 L HN 0.112 nan 8.230 nan 0.000 0.451 512 G N 0.277 109.046 108.800 -0.052 0.000 2.402 512 G HA2 -0.182 3.779 3.960 0.001 0.000 0.216 512 G HA3 -0.182 3.779 3.960 0.001 0.000 0.216 512 G C 1.811 176.798 174.900 0.144 0.000 1.162 512 G CA 0.875 46.123 45.100 0.246 0.000 0.777 512 G HN 0.402 nan 8.290 nan 0.000 0.539 513 A N 1.771 124.624 122.820 0.056 0.000 1.865 513 A HA 0.034 4.355 4.320 0.001 0.000 0.217 513 A C 0.799 178.381 177.584 -0.004 0.000 1.191 513 A CA 2.118 54.199 52.037 0.073 0.000 0.623 513 A CB -1.255 17.785 19.000 0.067 0.000 0.826 513 A HN 0.379 nan 8.150 nan 0.000 0.444 514 P HA -0.149 nan 4.420 nan 0.000 0.214 514 P C 1.284 178.480 177.300 -0.174 0.000 1.163 514 P CA 1.192 64.200 63.100 -0.153 0.000 0.883 514 P CB -0.276 31.293 31.700 -0.218 0.000 0.788 515 F N -0.455 119.344 119.950 -0.253 0.000 2.120 515 F HA -0.225 4.302 4.527 0.001 0.000 0.300 515 F C 2.764 178.187 175.800 -0.628 0.000 1.095 515 F CA 1.472 59.127 58.000 -0.575 0.000 1.249 515 F CB -0.885 37.407 39.000 -1.179 0.000 0.995 515 F HN -0.016 nan 8.300 nan 0.000 0.480 516 S N 0.547 116.089 115.700 -0.263 0.000 2.345 516 S HA -0.117 4.353 4.470 0.001 0.000 0.219 516 S C 1.996 176.644 174.600 0.079 0.000 1.031 516 S CA 0.982 59.193 58.200 0.018 0.000 0.984 516 S CB -0.481 62.916 63.200 0.329 0.000 0.874 516 S HN 0.283 nan 8.310 nan 0.000 0.451 517 L N 1.000 122.275 121.223 0.086 0.000 2.131 517 L HA -0.039 4.301 4.340 0.001 0.000 0.210 517 L C 2.853 179.800 176.870 0.129 0.000 1.092 517 L CA 1.019 55.924 54.840 0.108 0.000 0.759 517 L CB -0.468 41.646 42.059 0.093 0.000 0.903 517 L HN 0.245 nan 8.230 nan 0.000 0.435 518 K N 0.636 121.098 120.400 0.104 0.000 2.097 518 K HA -0.083 4.237 4.320 0.001 0.000 0.205 518 K C 1.984 178.650 176.600 0.111 0.000 1.050 518 K CA 1.441 57.815 56.287 0.146 0.000 0.938 518 K CB -0.427 32.101 32.500 0.047 0.000 0.718 518 K HN 0.344 nan 8.250 nan 0.000 0.442 519 G N 0.544 109.357 108.800 0.020 0.000 2.464 519 G HA2 -0.132 3.828 3.960 0.001 0.000 0.217 519 G HA3 -0.132 3.828 3.960 0.001 0.000 0.217 519 G C 1.435 176.357 174.900 0.037 0.000 1.138 519 G CA 0.077 45.155 45.100 -0.036 0.000 0.793 519 G HN 0.112 nan 8.290 nan 0.000 0.539 520 L N 0.423 121.702 121.223 0.093 0.000 2.007 520 L HA 0.174 4.514 4.340 0.001 0.000 0.205 520 L C 2.797 179.762 176.870 0.158 0.000 1.073 520 L CA 1.257 56.164 54.840 0.111 0.000 0.744 520 L CB -0.738 41.381 42.059 0.100 0.000 0.898 520 L HN 0.135 nan 8.230 nan 0.000 0.435 521 M N -1.069 118.653 119.600 0.203 0.000 2.419 521 M HA 0.094 4.575 4.480 0.001 0.000 0.264 521 M C 2.066 178.654 176.300 0.480 0.000 1.082 521 M CA 0.946 56.390 55.300 0.240 0.000 1.119 521 M CB -1.682 30.912 32.600 -0.009 0.000 1.398 521 M HN 0.290 nan 8.290 nan 0.000 0.453 522 G N 0.667 109.747 108.800 0.467 0.000 2.598 522 G HA2 -0.143 3.817 3.960 0.001 0.000 0.215 522 G HA3 -0.143 3.817 3.960 0.001 0.000 0.215 522 G C 0.857 175.955 174.900 0.330 0.000 1.131 522 G CA -0.113 45.230 45.100 0.405 0.000 0.785 522 G HN 0.443 nan 8.290 nan 0.000 0.539 523 N N 1.175 120.029 118.700 0.257 0.000 2.407 523 N HA 0.010 4.751 4.740 0.001 0.000 0.250 523 N C -0.997 174.600 175.510 0.145 0.000 1.236 523 N CA -0.991 52.159 53.050 0.167 0.000 0.879 523 N CB 1.838 40.419 38.487 0.156 0.000 1.088 523 N HN -0.032 nan 8.380 nan 0.000 0.450 524 P HA -0.146 nan 4.420 nan 0.000 0.220 524 P C 1.490 178.584 177.300 -0.344 0.000 1.148 524 P CA 1.196 64.133 63.100 -0.270 0.000 0.803 524 P CB -0.167 31.218 31.700 -0.524 0.000 0.782 525 I N -3.343 117.189 120.570 -0.063 0.000 2.916 525 I HA -0.093 4.077 4.170 0.001 0.000 0.267 525 I C 1.508 177.928 176.117 0.504 0.000 1.263 525 I CA 1.200 62.691 61.300 0.318 0.000 1.471 525 I CB -1.085 37.269 38.000 0.590 0.000 1.089 525 I HN -0.163 nan 8.210 nan 0.000 0.468 526 C N 1.360 120.825 119.300 0.275 0.000 2.618 526 C HA 0.190 4.650 4.460 0.001 0.000 0.264 526 C C 1.746 176.787 174.990 0.085 0.000 1.334 526 C CA 0.235 59.367 59.018 0.191 0.000 1.731 526 C CB -1.596 26.290 27.740 0.243 0.000 1.852 526 C HN 0.707 nan 8.230 nan 0.000 0.566 527 S N 1.849 117.434 115.700 -0.192 0.000 2.576 527 S HA 0.201 4.672 4.470 0.001 0.000 0.276 527 S C -1.618 172.957 174.600 -0.040 0.000 1.339 527 S CA -0.613 57.244 58.200 -0.572 0.000 1.039 527 S CB 0.739 63.604 63.200 -0.559 0.000 0.902 527 S HN 0.069 nan 8.310 nan 0.000 0.516 528 P HA -0.147 nan 4.420 nan 0.000 0.216 528 P C 1.475 178.713 177.300 -0.103 0.000 1.154 528 P CA 1.249 64.077 63.100 -0.453 0.000 0.865 528 P CB 0.033 31.329 31.700 -0.673 0.000 0.789 529 Q N -2.442 117.335 119.800 -0.038 0.000 2.369 529 Q HA -0.064 4.277 4.340 0.001 0.000 0.206 529 Q C 1.789 177.749 176.000 -0.067 0.000 0.963 529 Q CA 1.221 56.997 55.803 -0.045 0.000 0.894 529 Q CB -0.419 28.288 28.738 -0.052 0.000 0.965 529 Q HN 0.484 nan 8.270 nan 0.000 0.475 530 Y N -2.075 118.220 120.300 -0.009 0.000 2.441 530 Y HA 0.012 4.563 4.550 0.001 0.000 0.288 530 Y C 1.103 177.063 175.900 0.100 0.000 1.118 530 Y CA -0.228 57.875 58.100 0.006 0.000 1.215 530 Y CB 0.357 38.866 38.460 0.082 0.000 1.118 530 Y HN 0.163 nan 8.280 nan 0.000 0.547 531 W N 5.100 126.544 121.300 0.241 0.000 1.564 531 W HA 0.213 4.873 4.660 0.001 0.000 0.480 531 W C -0.741 175.881 176.519 0.172 0.000 0.699 531 W CA 0.151 57.718 57.345 0.369 0.000 1.985 531 W CB -0.520 29.247 29.460 0.513 0.000 1.738 531 W HN 0.081 nan 8.180 nan 0.000 0.218 532 K N 2.515 122.717 120.400 -0.330 0.000 2.556 532 K HA 0.402 4.722 4.320 0.001 0.000 0.274 532 K C -2.638 173.471 176.600 -0.819 0.000 0.966 532 K CA -1.590 54.360 56.287 -0.561 0.000 0.865 532 K CB 1.559 33.905 32.500 -0.257 0.000 1.444 532 K HN -0.285 nan 8.250 nan 0.000 0.433 533 P HA -0.277 nan 4.420 nan 0.000 0.216 533 P C 1.251 178.411 177.300 -0.234 0.000 1.153 533 P CA 2.094 64.874 63.100 -0.532 0.000 0.858 533 P CB 0.030 31.595 31.700 -0.224 0.000 0.789 534 S N -1.895 113.673 115.700 -0.220 0.000 2.419 534 S HA -0.151 4.319 4.470 0.001 0.000 0.233 534 S C 1.845 176.324 174.600 -0.201 0.000 1.016 534 S CA 1.866 59.988 58.200 -0.129 0.000 0.974 534 S CB -2.011 61.120 63.200 -0.114 0.000 0.786 534 S HN 0.135 nan 8.310 nan 0.000 0.492 535 T N 1.460 115.747 114.554 -0.446 0.000 2.803 535 T HA 0.027 4.377 4.350 0.001 0.000 0.269 535 T C 0.540 174.878 174.700 -0.602 0.000 1.052 535 T CA 1.166 62.865 62.100 -0.670 0.000 1.136 535 T CB -0.479 67.719 68.868 -1.116 0.000 0.864 535 T HN 0.630 nan 8.240 nan 0.000 0.467 536 F N 0.150 120.101 119.950 0.000 0.000 2.772 536 F HA 0.493 5.021 4.527 0.001 0.000 0.302 536 F C 1.562 177.460 175.800 0.163 0.000 1.136 536 F CA -0.548 57.512 58.000 0.100 0.000 1.322 536 F CB 0.180 39.257 39.000 0.128 0.000 0.967 536 F HN 0.178 nan 8.300 nan 0.000 0.513 537 G N 0.249 109.225 108.800 0.293 0.000 2.143 537 G HA2 0.095 4.055 3.960 0.001 0.000 0.249 537 G HA3 0.095 4.055 3.960 0.001 0.000 0.249 537 G C 0.578 175.661 174.900 0.304 0.000 0.981 537 G CA 0.010 45.327 45.100 0.361 0.000 0.665 537 G HN 1.247 nan 8.290 nan 0.000 0.528 538 G N -1.447 107.471 108.800 0.196 0.000 2.434 538 G HA2 0.230 4.191 3.960 0.001 0.000 0.671 538 G HA3 0.230 4.191 3.960 0.001 0.000 0.671 538 G C 0.341 175.329 174.900 0.147 0.000 1.280 538 G CA 0.504 45.682 45.100 0.131 0.000 0.975 538 G HN 0.498 nan 8.290 nan 0.000 0.510 539 E N -0.664 119.604 120.200 0.114 0.000 2.204 539 E HA -0.078 4.272 4.350 0.001 0.000 0.195 539 E C 2.778 179.466 176.600 0.146 0.000 0.990 539 E CA 1.491 57.985 56.400 0.157 0.000 0.821 539 E CB -0.179 29.580 29.700 0.099 0.000 0.750 539 E HN 0.417 nan 8.360 nan 0.000 0.477 540 V N 0.574 120.545 119.914 0.095 0.000 2.323 540 V HA -0.131 3.990 4.120 0.001 0.000 0.244 540 V C 2.410 178.565 176.094 0.103 0.000 1.041 540 V CA 1.889 64.228 62.300 0.066 0.000 1.025 540 V CB -0.936 30.895 31.823 0.013 0.000 0.656 540 V HN 0.305 nan 8.190 nan 0.000 0.451 541 G N -0.860 108.035 108.800 0.158 0.000 2.418 541 G HA2 -0.282 3.678 3.960 0.001 0.000 0.217 541 G HA3 -0.282 3.678 3.960 0.001 0.000 0.217 541 G C 1.549 176.583 174.900 0.223 0.000 1.158 541 G CA 0.746 45.970 45.100 0.207 0.000 0.771 541 G HN 0.406 nan 8.290 nan 0.000 0.545 542 F N 1.718 121.694 119.950 0.043 0.000 2.171 542 F HA 0.011 4.539 4.527 0.001 0.000 0.300 542 F C 2.485 178.218 175.800 -0.113 0.000 1.090 542 F CA 1.436 59.374 58.000 -0.103 0.000 1.293 542 F CB -0.258 38.709 39.000 -0.055 0.000 1.013 542 F HN 0.206 nan 8.300 nan 0.000 0.486 543 K N 0.427 120.840 120.400 0.022 0.000 2.148 543 K HA -0.106 4.214 4.320 0.001 0.000 0.204 543 K C 2.117 178.689 176.600 -0.047 0.000 1.050 543 K CA 1.445 57.693 56.287 -0.066 0.000 0.942 543 K CB -0.310 32.185 32.500 -0.009 0.000 0.724 543 K HN 0.333 nan 8.250 nan 0.000 0.446 544 I N 0.818 121.390 120.570 0.003 0.000 2.208 544 I HA -0.316 3.855 4.170 0.001 0.000 0.245 544 I C 2.097 178.230 176.117 0.026 0.000 1.097 544 I CA 1.328 62.643 61.300 0.025 0.000 1.363 544 I CB -0.263 37.772 38.000 0.059 0.000 1.051 544 I HN 0.202 nan 8.210 nan 0.000 0.413 545 I N 0.626 121.189 120.570 -0.012 0.000 2.163 545 I HA -0.263 3.907 4.170 0.001 0.000 0.240 545 I C 1.900 178.054 176.117 0.063 0.000 1.081 545 I CA 1.318 62.642 61.300 0.039 0.000 1.353 545 I CB -0.480 37.502 38.000 -0.029 0.000 1.054 545 I HN 0.277 nan 8.210 nan 0.000 0.407 546 N N 0.324 118.974 118.700 -0.085 0.000 2.515 546 N HA -0.065 4.676 4.740 0.001 0.000 0.185 546 N C 1.320 176.824 175.510 -0.009 0.000 1.109 546 N CA 1.447 54.457 53.050 -0.067 0.000 0.903 546 N CB -0.036 38.287 38.487 -0.273 0.000 0.969 546 N HN 0.480 nan 8.380 nan 0.000 0.450 547 T N -3.427 111.127 114.554 0.000 0.000 3.145 547 T HA 0.474 4.825 4.350 0.001 0.000 0.281 547 T C 0.544 175.261 174.700 0.027 0.000 1.003 547 T CA -0.565 61.541 62.100 0.011 0.000 0.901 547 T CB 0.321 69.186 68.868 -0.005 0.000 1.112 547 T HN 0.069 nan 8.240 nan 0.000 0.535 548 A N 1.917 124.771 122.820 0.057 0.000 2.445 548 A HA 0.660 4.980 4.320 0.001 0.000 0.242 548 A C 0.619 178.230 177.584 0.046 0.000 1.075 548 A CA -0.068 52.007 52.037 0.063 0.000 0.777 548 A CB 0.065 19.138 19.000 0.121 0.000 1.013 548 A HN 1.114 nan 8.150 nan 0.000 0.493 549 S N 0.937 116.642 115.700 0.008 0.000 2.588 549 S HA 0.432 4.902 4.470 0.001 0.000 0.269 549 S C 0.368 174.916 174.600 -0.086 0.000 1.157 549 S CA -0.114 58.068 58.200 -0.029 0.000 0.824 549 S CB 0.532 63.702 63.200 -0.050 0.000 1.126 549 S HN 1.102 nan 8.310 nan 0.000 0.464 550 I N 1.284 121.755 120.570 -0.164 0.000 2.361 550 I HA -0.071 4.099 4.170 0.001 0.000 0.251 550 I C 2.434 178.389 176.117 -0.271 0.000 1.133 550 I CA 2.029 63.168 61.300 -0.269 0.000 1.413 550 I CB -0.545 37.068 38.000 -0.644 0.000 1.073 550 I HN 0.919 nan 8.210 nan 0.000 0.424 551 Q N 0.438 120.078 119.800 -0.268 0.000 2.046 551 Q HA -0.169 4.171 4.340 0.001 0.000 0.200 551 Q C 2.421 178.321 176.000 -0.166 0.000 0.975 551 Q CA 2.472 58.126 55.803 -0.250 0.000 0.836 551 Q CB -0.548 28.050 28.738 -0.233 0.000 0.896 551 Q HN 0.656 nan 8.270 nan 0.000 0.428 552 S N -0.283 115.343 115.700 -0.124 0.000 2.383 552 S HA -0.137 4.334 4.470 0.001 0.000 0.227 552 S C 1.885 176.415 174.600 -0.115 0.000 1.026 552 S CA 1.026 59.170 58.200 -0.093 0.000 0.981 552 S CB -0.643 62.522 63.200 -0.059 0.000 0.818 552 S HN 0.421 nan 8.310 nan 0.000 0.472 553 L N 0.802 121.938 121.223 -0.145 0.000 2.042 553 L HA 0.071 4.411 4.340 0.001 0.000 0.210 553 L C 2.044 178.787 176.870 -0.212 0.000 1.076 553 L CA 1.608 56.321 54.840 -0.212 0.000 0.749 553 L CB -0.636 41.252 42.059 -0.285 0.000 0.893 553 L HN 0.290 nan 8.230 nan 0.000 0.432 554 I N -1.618 118.843 120.570 -0.182 0.000 2.480 554 I HA -0.183 3.987 4.170 0.001 0.000 0.251 554 I C 2.647 178.684 176.117 -0.133 0.000 1.124 554 I CA 1.094 62.295 61.300 -0.164 0.000 1.444 554 I CB -0.762 37.142 38.000 -0.160 0.000 1.098 554 I HN 0.453 nan 8.210 nan 0.000 0.428 555 c N 1.123 119.652 118.600 -0.118 0.000 2.432 555 c HA -0.164 4.406 4.570 0.001 0.000 0.277 555 c C 2.719 176.760 174.090 -0.082 0.000 1.249 555 c CA 1.223 57.501 56.329 -0.085 0.000 1.725 555 c CB -1.193 41.275 42.510 -0.069 0.000 2.028 555 c HN 0.514 nan 8.230 nan 0.000 0.477 556 N N 1.113 119.759 118.700 -0.090 0.000 2.396 556 N HA -0.028 4.713 4.740 0.001 0.000 0.180 556 N C 1.033 176.484 175.510 -0.098 0.000 1.028 556 N CA 1.030 54.030 53.050 -0.083 0.000 0.893 556 N CB -0.445 37.996 38.487 -0.076 0.000 0.967 556 N HN 0.680 nan 8.380 nan 0.000 0.440 557 N N -0.433 118.193 118.700 -0.123 0.000 2.166 557 N HA 0.099 4.839 4.740 0.001 0.000 0.213 557 N C -0.622 174.797 175.510 -0.152 0.000 1.222 557 N CA 0.112 53.076 53.050 -0.144 0.000 0.900 557 N CB 1.971 40.353 38.487 -0.174 0.000 1.055 557 N HN -0.101 nan 8.380 nan 0.000 0.515 558 V N 1.630 121.466 119.914 -0.130 0.000 2.495 558 V HA 0.229 4.349 4.120 0.001 0.000 0.298 558 V C 0.409 176.451 176.094 -0.087 0.000 1.031 558 V CA -1.133 61.095 62.300 -0.119 0.000 0.871 558 V CB 2.651 34.407 31.823 -0.111 0.000 0.988 558 V HN -0.042 nan 8.190 nan 0.000 0.432 559 K N 2.567 122.918 120.400 -0.081 0.000 2.484 559 K HA 0.304 4.624 4.320 0.001 0.000 0.280 559 K C 1.221 177.799 176.600 -0.035 0.000 1.013 559 K CA 1.292 57.545 56.287 -0.056 0.000 1.029 559 K CB 0.162 32.633 32.500 -0.049 0.000 0.902 559 K HN 1.181 nan 8.250 nan 0.000 0.481 560 G N 2.873 111.656 108.800 -0.028 0.000 2.176 560 G HA2 -0.337 3.624 3.960 0.001 0.000 0.253 560 G HA3 -0.337 3.624 3.960 0.001 0.000 0.253 560 G C 0.429 175.322 174.900 -0.012 0.000 0.979 560 G CA -0.058 45.033 45.100 -0.014 0.000 0.641 560 G HN 1.163 nan 8.290 nan 0.000 0.530 561 c N 0.846 119.430 118.600 -0.027 0.000 3.563 561 c HA -0.098 4.473 4.570 0.001 0.000 0.284 561 c C -0.188 173.899 174.090 -0.005 0.000 1.356 561 c CA 0.012 56.324 56.329 -0.028 0.000 2.166 561 c CB -1.820 40.676 42.510 -0.024 0.000 1.399 561 c HN 0.832 nan 8.230 nan 0.000 0.583 562 P HA 0.186 nan 4.420 nan 0.000 0.268 562 P C -0.047 177.283 177.300 0.051 0.000 1.208 562 P CA 0.080 63.203 63.100 0.038 0.000 0.777 562 P CB 0.352 32.066 31.700 0.024 0.000 0.875 563 F N 1.617 121.549 119.950 -0.031 0.000 2.471 563 F HA 0.385 4.912 4.527 0.001 0.000 0.353 563 F C 0.340 176.116 175.800 -0.040 0.000 1.113 563 F CA 0.896 58.873 58.000 -0.037 0.000 1.262 563 F CB 0.760 39.741 39.000 -0.031 0.000 1.146 563 F HN 0.322 nan 8.300 nan 0.000 0.578 564 T N 3.493 117.374 114.554 -1.122 0.000 2.816 564 T HA 0.619 4.969 4.350 0.001 0.000 0.299 564 T C -1.370 172.692 174.700 -1.064 0.000 1.230 564 T CA -0.141 61.452 62.100 -0.845 0.000 1.007 564 T CB 1.379 70.017 68.868 -0.383 0.000 1.289 564 T HN 0.986 nan 8.240 nan 0.000 0.508 565 S N 0.233 115.584 115.700 -0.582 0.000 2.636 565 S HA 0.501 4.972 4.470 0.001 0.000 0.266 565 S C -1.029 173.395 174.600 -0.294 0.000 1.147 565 S CA -0.597 57.322 58.200 -0.468 0.000 0.815 565 S CB 0.302 63.366 63.200 -0.227 0.000 1.119 565 S HN 0.630 nan 8.310 nan 0.000 0.470 566 F N 1.621 121.478 119.950 -0.156 0.000 2.727 566 F HA 0.289 4.816 4.527 0.001 0.000 0.302 566 F C 0.862 176.374 175.800 -0.481 0.000 1.097 566 F CA -0.428 57.438 58.000 -0.223 0.000 1.330 566 F CB 0.283 39.130 39.000 -0.254 0.000 1.084 566 F HN 0.675 nan 8.300 nan 0.000 0.578 567 N N -1.369 117.240 118.700 -0.153 0.000 2.238 567 N HA 0.359 5.099 4.740 0.001 0.000 0.302 567 N C -1.148 174.377 175.510 0.025 0.000 1.072 567 N CA -0.700 52.282 53.050 -0.113 0.000 0.792 567 N CB 1.602 40.067 38.487 -0.036 0.000 1.425 567 N HN -0.247 nan 8.380 nan 0.000 0.478 568 V N 2.566 122.502 119.914 0.036 0.000 2.493 568 V HA -0.022 4.099 4.120 0.001 0.000 0.292 568 V C 0.851 176.982 176.094 0.062 0.000 1.016 568 V CA -0.135 62.202 62.300 0.063 0.000 1.097 568 V CB -0.063 31.790 31.823 0.049 0.000 0.947 568 V HN 0.809 nan 8.190 nan 0.000 0.479 569 Q N 0.000 119.848 119.800 0.080 0.000 2.315 569 Q HA 0.000 4.340 4.340 0.001 0.000 0.214 569 Q CA 0.000 55.832 55.803 0.048 0.000 1.022 569 Q CB 0.000 28.749 28.738 0.018 0.000 1.108 569 Q HN 0.000 nan 8.270 nan 0.000 0.481