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 3pq6_1_D DATA FIRST_RESID 28 DATA SEQUENCE SLAPEDGSHR PAAEPTPPGA QPTAPGSLKA PDTRNEKLNS LEDVRKGSEN DATA SEQUENCE YALTTNQGVR IADDQNSLRA GSRGPTLLED FILREKITHF DHERIPERIV DATA SEQUENCE HARGSAAHGY FQPYKSLSDI TKADFLSDPN KITPVFVRFS TVQGGAGSAD DATA SEQUENCE TVRDIRGFAT KFYTEEGIFD LVGNNTPIFF IQDAHKFPDF VHAVKPEPHW DATA SEQUENCE AIPQGQSAHD TFWDYVSLQP ETLHNVMWAM SDRGIPRSYR TMEGFGCHTF DATA SEQUENCE RLINAEGKAT FVRFHWKPLA GKASLVWDEA QKLTGRDPDF HRRELWEAIE DATA SEQUENCE AGDFPEYELG FQLIPEEDEF KFDFDLLDPT KLIPEELVPV QRVGKMVLNR DATA SEQUENCE NPDNFFAENE QAAFHPGHIV PGLDFTNDPL LQGRLFSYTD TQISRLGGPN DATA SEQUENCE FHEIPINRPT APYHNFQRDG MHRMGIDTNP ANYEPNSIND NWPRETPPGP DATA SEQUENCE KRGGFESYQE RVEGNKVRER SPSFGEYYSH PRLFWLSQTP FEQRHIVDGF DATA SEQUENCE SFELSKVVRP YIRERVVDQL AHIDLTLAQA VAKNLGIELT DDQLNITPPP DATA SEQUENCE DVNGLKKDPS LSLYAIPDGD VKGRVVAILL NDEVRSADLL AILKALKAKG DATA SEQUENCE VHAKLLYSRM GEVTADDGTV LPIAATFAGA PSLTVDAVIV PAGNIADIAD DATA SEQUENCE NGDANYYLME AYKHLKPIAL AGDARKFKAT IKIADQGEEG IVEADSADGS DATA SEQUENCE FMDELLTLMA AHRVWSRIPK IDKIPA 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 28 S HA 0.000 nan 4.470 nan 0.000 0.327 28 S C 0.000 174.563 174.600 -0.062 0.000 1.055 28 S CA 0.000 58.172 58.200 -0.047 0.000 1.107 28 S CB 0.000 63.173 63.200 -0.044 0.000 0.593 29 L N 0.904 122.083 121.223 -0.073 0.000 2.477 29 L HA 0.363 4.718 4.340 0.025 0.000 0.220 29 L C 1.377 178.168 176.870 -0.132 0.000 1.106 29 L CA 0.235 55.027 54.840 -0.080 0.000 0.851 29 L CB -0.247 41.776 42.059 -0.059 0.000 0.994 29 L HN 0.692 nan 8.230 nan 0.000 0.462 30 A N 1.654 124.342 122.820 -0.220 0.000 2.407 30 A HA 0.378 4.713 4.320 0.025 0.000 0.248 30 A C -1.975 175.445 177.584 -0.273 0.000 1.082 30 A CA -0.959 50.815 52.037 -0.439 0.000 0.785 30 A CB -0.537 17.938 19.000 -0.876 0.000 1.020 30 A HN -0.011 nan 8.150 nan 0.000 0.489 31 P HA 0.083 nan 4.420 nan 0.000 0.268 31 P C 0.078 177.350 177.300 -0.046 0.000 1.205 31 P CA 0.092 63.149 63.100 -0.072 0.000 0.771 31 P CB 0.753 32.452 31.700 -0.002 0.000 0.858 32 E N 1.056 121.243 120.200 -0.022 0.000 2.209 32 E HA -0.220 4.145 4.350 0.025 0.000 0.196 32 E C 1.182 177.799 176.600 0.028 0.000 0.993 32 E CA 1.638 58.037 56.400 -0.002 0.000 0.819 32 E CB -0.115 29.583 29.700 -0.003 0.000 0.745 32 E HN 0.590 nan 8.360 nan 0.000 0.477 33 D N -1.345 119.078 120.400 0.038 0.000 2.363 33 D HA -0.004 4.651 4.640 0.025 0.000 0.220 33 D C 1.214 177.563 176.300 0.081 0.000 0.994 33 D CA 0.806 54.835 54.000 0.048 0.000 0.890 33 D CB -0.078 40.744 40.800 0.036 0.000 0.906 33 D HN 0.174 nan 8.370 nan 0.000 0.530 34 G N 0.228 109.120 108.800 0.152 0.000 2.143 34 G HA2 -0.341 3.633 3.960 0.025 0.000 0.248 34 G HA3 -0.341 3.633 3.960 0.025 0.000 0.248 34 G C 1.012 176.007 174.900 0.159 0.000 0.991 34 G CA 0.823 46.059 45.100 0.226 0.000 0.689 34 G HN 0.708 nan 8.290 nan 0.000 0.522 35 S N 0.342 116.146 115.700 0.173 0.000 2.607 35 S HA -0.022 4.463 4.470 0.025 0.000 0.224 35 S C 1.925 176.584 174.600 0.097 0.000 0.969 35 S CA 1.134 59.388 58.200 0.091 0.000 0.927 35 S CB -0.501 62.740 63.200 0.067 0.000 0.772 35 S HN 0.953 nan 8.310 nan 0.000 0.533 36 H N 1.021 120.098 119.070 0.011 0.000 2.502 36 H HA 0.250 4.821 4.556 0.025 0.000 0.283 36 H C 0.819 176.159 175.328 0.019 0.000 1.015 36 H CA 0.416 56.471 56.048 0.012 0.000 1.298 36 H CB -0.300 29.468 29.762 0.010 0.000 1.411 36 H HN 0.371 nan 8.280 nan 0.000 0.556 37 R N 2.708 122.932 120.500 -0.459 0.000 2.295 37 R HA 0.351 4.706 4.340 0.025 0.000 0.324 37 R C -2.687 173.524 176.300 -0.147 0.000 0.968 37 R CA -2.266 53.610 56.100 -0.373 0.000 0.837 37 R CB 0.878 30.838 30.300 -0.566 0.000 1.133 37 R HN 0.063 nan 8.270 nan 0.000 0.450 38 P HA 0.149 nan 4.420 nan 0.000 0.271 38 P C -0.849 176.442 177.300 -0.014 0.000 1.216 38 P CA -0.392 62.698 63.100 -0.017 0.000 0.776 38 P CB 0.972 32.686 31.700 0.024 0.000 0.881 39 A N 2.754 125.572 122.820 -0.003 0.000 2.540 39 A HA 0.329 4.664 4.320 0.025 0.000 0.239 39 A C 1.059 178.654 177.584 0.018 0.000 1.061 39 A CA 0.185 52.225 52.037 0.004 0.000 0.758 39 A CB -0.478 18.527 19.000 0.008 0.000 0.991 39 A HN 0.587 nan 8.150 nan 0.000 0.502 40 A N 3.216 126.046 122.820 0.017 0.000 3.074 40 A HA 0.474 4.808 4.320 0.025 0.000 0.251 40 A C 0.431 178.034 177.584 0.031 0.000 1.695 40 A CA 0.271 52.325 52.037 0.027 0.000 1.343 40 A CB -0.915 18.098 19.000 0.022 0.000 1.078 40 A HN 0.901 nan 8.150 nan 0.000 0.644 41 E N -0.564 119.657 120.200 0.034 0.000 2.412 41 E HA 0.545 4.910 4.350 0.025 0.000 0.279 41 E C -3.289 173.334 176.600 0.038 0.000 0.984 41 E CA -2.518 53.904 56.400 0.036 0.000 0.788 41 E CB 1.132 30.847 29.700 0.026 0.000 1.277 41 E HN 0.064 nan 8.360 nan 0.000 0.455 42 P HA 0.103 nan 4.420 nan 0.000 0.271 42 P C -0.687 176.622 177.300 0.016 0.000 1.216 42 P CA 0.129 63.243 63.100 0.025 0.000 0.771 42 P CB 0.685 32.387 31.700 0.003 0.000 0.864 43 T N 0.162 114.723 114.554 0.011 0.000 2.956 43 T HA 0.565 4.930 4.350 0.025 0.000 0.312 43 T C -3.037 171.646 174.700 -0.028 0.000 1.151 43 T CA -2.424 59.679 62.100 0.005 0.000 1.024 43 T CB 1.652 70.528 68.868 0.013 0.000 1.140 43 T HN 0.099 nan 8.240 nan 0.000 0.473 44 P HA 0.350 nan 4.420 nan 0.000 0.272 44 P C -2.717 174.457 177.300 -0.210 0.000 1.230 44 P CA -1.459 61.527 63.100 -0.190 0.000 0.788 44 P CB -0.932 30.734 31.700 -0.057 0.000 0.949 45 P HA 0.026 nan 4.420 nan 0.000 0.264 45 P C 1.129 178.378 177.300 -0.084 0.000 1.183 45 P CA 1.355 64.349 63.100 -0.177 0.000 0.763 45 P CB -0.201 31.379 31.700 -0.200 0.000 0.807 46 G N 2.372 111.154 108.800 -0.030 0.000 2.267 46 G HA2 -0.375 3.600 3.960 0.025 0.000 0.257 46 G HA3 -0.375 3.600 3.960 0.025 0.000 0.257 46 G C 1.195 176.093 174.900 -0.003 0.000 0.998 46 G CA 0.514 45.610 45.100 -0.008 0.000 0.620 46 G HN 0.697 nan 8.290 nan 0.000 0.529 47 A N -0.961 121.854 122.820 -0.009 0.000 2.014 47 A HA 0.398 4.733 4.320 0.025 0.000 0.218 47 A C 1.333 178.922 177.584 0.008 0.000 1.163 47 A CA 2.027 54.065 52.037 0.001 0.000 0.652 47 A CB -0.003 18.997 19.000 0.001 0.000 0.808 47 A HN 0.547 nan 8.150 nan 0.000 0.449 48 Q N -0.990 118.817 119.800 0.013 0.000 2.456 48 Q HA 0.431 4.786 4.340 0.025 0.000 0.284 48 Q C -2.969 173.047 176.000 0.026 0.000 1.061 48 Q CA -2.037 53.777 55.803 0.019 0.000 0.799 48 Q CB 1.032 29.785 28.738 0.025 0.000 1.445 48 Q HN 0.066 nan 8.270 nan 0.000 0.411 49 P HA 0.044 nan 4.420 nan 0.000 0.269 49 P C -0.275 177.055 177.300 0.050 0.000 1.209 49 P CA 0.014 63.129 63.100 0.024 0.000 0.776 49 P CB 0.278 31.989 31.700 0.018 0.000 0.876 50 T N -0.929 113.653 114.554 0.047 0.000 2.868 50 T HA 0.655 5.020 4.350 0.025 0.000 0.292 50 T C -0.071 174.710 174.700 0.135 0.000 1.028 50 T CA -0.546 61.630 62.100 0.127 0.000 1.059 50 T CB 0.822 69.711 68.868 0.036 0.000 0.991 50 T HN 0.566 nan 8.240 nan 0.000 0.531 51 A N 1.752 124.752 122.820 0.301 0.000 2.593 51 A HA 0.810 5.145 4.320 0.025 0.000 0.290 51 A C -3.007 174.844 177.584 0.446 0.000 1.126 51 A CA -2.069 50.124 52.037 0.260 0.000 0.695 51 A CB 0.684 19.793 19.000 0.182 0.000 1.290 51 A HN 0.673 nan 8.150 nan 0.000 0.414 52 P HA 0.148 nan 4.420 nan 0.000 0.266 52 P C 1.167 178.622 177.300 0.259 0.000 1.195 52 P CA 0.781 64.104 63.100 0.372 0.000 0.768 52 P CB 0.563 32.403 31.700 0.234 0.000 0.838 53 G N 2.194 111.112 108.800 0.196 0.000 2.469 53 G HA2 -0.290 3.685 3.960 0.025 0.000 0.220 53 G HA3 -0.290 3.685 3.960 0.025 0.000 0.220 53 G C 1.521 176.445 174.900 0.040 0.000 1.136 53 G CA 1.126 46.255 45.100 0.047 0.000 0.759 53 G HN 0.595 nan 8.290 nan 0.000 0.562 54 S N -0.010 115.718 115.700 0.046 0.000 2.453 54 S HA 0.150 4.635 4.470 0.025 0.000 0.231 54 S C 2.218 176.840 174.600 0.036 0.000 1.005 54 S CA 0.658 58.868 58.200 0.018 0.000 0.949 54 S CB -0.163 63.040 63.200 0.006 0.000 0.774 54 S HN 0.312 nan 8.310 nan 0.000 0.510 55 L N 0.052 121.313 121.223 0.064 0.000 2.249 55 L HA 0.234 4.589 4.340 0.025 0.000 0.207 55 L C 2.681 179.587 176.870 0.059 0.000 1.090 55 L CA 0.933 55.810 54.840 0.061 0.000 0.802 55 L CB -0.328 41.775 42.059 0.074 0.000 0.947 55 L HN 0.263 nan 8.230 nan 0.000 0.453 56 K N 1.310 121.757 120.400 0.078 0.000 2.116 56 K HA 0.053 4.388 4.320 0.025 0.000 0.203 56 K C 0.717 177.351 176.600 0.056 0.000 1.052 56 K CA 1.216 57.549 56.287 0.077 0.000 0.952 56 K CB 0.181 32.748 32.500 0.110 0.000 0.729 56 K HN 0.132 nan 8.250 nan 0.000 0.446 57 A N 0.794 123.639 122.820 0.043 0.000 3.355 57 A HA 0.355 4.690 4.320 0.025 0.000 0.290 57 A C -2.205 175.388 177.584 0.015 0.000 0.973 57 A CA -0.959 51.100 52.037 0.037 0.000 0.933 57 A CB 0.562 19.590 19.000 0.045 0.000 1.138 57 A HN 0.134 nan 8.150 nan 0.000 0.490 58 P HA -0.123 nan 4.420 nan 0.000 0.221 58 P C 0.125 177.420 177.300 -0.009 0.000 1.145 58 P CA 1.237 64.338 63.100 0.002 0.000 0.795 58 P CB 0.319 32.023 31.700 0.008 0.000 0.775 59 D N -1.220 119.179 120.400 -0.002 0.000 2.339 59 D HA 0.023 4.678 4.640 0.025 0.000 0.217 59 D C 0.254 176.542 176.300 -0.020 0.000 1.050 59 D CA 0.535 54.530 54.000 -0.008 0.000 0.856 59 D CB -0.320 40.482 40.800 0.004 0.000 0.922 59 D HN 0.093 nan 8.370 nan 0.000 0.518 60 T N 2.677 117.217 114.554 -0.023 0.000 2.729 60 T HA 0.323 4.688 4.350 0.025 0.000 0.296 60 T C 0.341 174.997 174.700 -0.074 0.000 0.928 60 T CA -0.417 61.654 62.100 -0.047 0.000 1.045 60 T CB 0.968 69.808 68.868 -0.046 0.000 0.902 60 T HN -0.166 nan 8.240 nan 0.000 0.500 61 R N 3.095 123.543 120.500 -0.087 0.000 2.795 61 R HA 0.643 4.998 4.340 0.025 0.000 0.275 61 R C -0.459 175.779 176.300 -0.103 0.000 0.981 61 R CA -1.069 54.974 56.100 -0.094 0.000 0.917 61 R CB 1.684 31.937 30.300 -0.079 0.000 1.202 61 R HN 0.826 nan 8.270 nan 0.000 0.469 62 N N -2.241 116.402 118.700 -0.094 0.000 2.934 62 N HA 0.097 4.852 4.740 0.025 0.000 0.253 62 N C 0.288 175.754 175.510 -0.074 0.000 1.466 62 N CA -0.815 52.192 53.050 -0.071 0.000 0.858 62 N CB 0.841 39.318 38.487 -0.018 0.000 1.459 62 N HN 0.540 nan 8.380 nan 0.000 0.532 63 E N -0.292 119.879 120.200 -0.048 0.000 2.085 63 E HA -0.282 4.083 4.350 0.025 0.000 0.194 63 E C 1.051 177.583 176.600 -0.113 0.000 0.994 63 E CA 1.498 57.864 56.400 -0.056 0.000 0.801 63 E CB 0.074 29.766 29.700 -0.013 0.000 0.743 63 E HN 0.506 nan 8.360 nan 0.000 0.453 64 K N 0.779 121.078 120.400 -0.168 0.000 2.025 64 K HA -0.095 4.240 4.320 0.025 0.000 0.207 64 K C 2.143 178.580 176.600 -0.272 0.000 1.049 64 K CA 1.155 57.244 56.287 -0.329 0.000 0.933 64 K CB -0.502 31.620 32.500 -0.629 0.000 0.714 64 K HN 0.162 nan 8.250 nan 0.000 0.438 65 L N 0.950 122.029 121.223 -0.240 0.000 2.013 65 L HA -0.272 4.083 4.340 0.025 0.000 0.212 65 L C 1.979 178.735 176.870 -0.190 0.000 1.073 65 L CA 1.561 56.236 54.840 -0.274 0.000 0.753 65 L CB -0.703 41.188 42.059 -0.279 0.000 0.890 65 L HN 0.291 nan 8.230 nan 0.000 0.432 66 N N -0.332 118.282 118.700 -0.142 0.000 2.166 66 N HA -0.158 4.597 4.740 0.025 0.000 0.186 66 N C 2.070 177.521 175.510 -0.099 0.000 1.019 66 N CA 1.669 54.656 53.050 -0.104 0.000 0.856 66 N CB -0.437 38.002 38.487 -0.079 0.000 0.993 66 N HN 0.400 nan 8.380 nan 0.000 0.426 67 S N 0.424 116.054 115.700 -0.117 0.000 2.447 67 S HA 0.006 4.491 4.470 0.025 0.000 0.233 67 S C 1.788 176.324 174.600 -0.107 0.000 1.006 67 S CA 0.449 58.586 58.200 -0.105 0.000 0.957 67 S CB -0.478 62.653 63.200 -0.116 0.000 0.773 67 S HN 0.257 nan 8.310 nan 0.000 0.507 68 L N 0.830 121.975 121.223 -0.131 0.000 2.610 68 L HA 0.188 4.543 4.340 0.025 0.000 0.232 68 L C 2.582 179.402 176.870 -0.083 0.000 1.149 68 L CA 0.565 55.336 54.840 -0.116 0.000 0.872 68 L CB -0.370 41.600 42.059 -0.147 0.000 0.992 68 L HN 0.290 nan 8.230 nan 0.000 0.447 69 E N 1.005 121.161 120.200 -0.073 0.000 2.204 69 E HA -0.241 4.124 4.350 0.025 0.000 0.195 69 E C 1.706 178.284 176.600 -0.037 0.000 0.990 69 E CA 1.362 57.732 56.400 -0.051 0.000 0.821 69 E CB -0.030 29.643 29.700 -0.045 0.000 0.750 69 E HN 0.551 nan 8.360 nan 0.000 0.477 70 D N -0.439 119.938 120.400 -0.039 0.000 2.309 70 D HA -0.134 4.521 4.640 0.025 0.000 0.212 70 D C 1.584 177.869 176.300 -0.026 0.000 0.968 70 D CA 1.456 55.438 54.000 -0.030 0.000 0.882 70 D CB -0.183 40.599 40.800 -0.030 0.000 0.918 70 D HN 0.305 nan 8.370 nan 0.000 0.503 71 V N -3.586 116.310 119.914 -0.029 0.000 3.605 71 V HA 0.312 4.447 4.120 0.025 0.000 0.284 71 V C 0.945 177.031 176.094 -0.014 0.000 1.386 71 V CA -0.666 61.621 62.300 -0.020 0.000 1.053 71 V CB -0.435 31.375 31.823 -0.021 0.000 0.857 71 V HN -0.166 nan 8.190 nan 0.000 0.436 72 R N 2.177 122.666 120.500 -0.017 0.000 2.522 72 R HA 0.306 4.661 4.340 0.025 0.000 0.284 72 R C -0.165 176.135 176.300 -0.001 0.000 1.032 72 R CA 0.356 56.454 56.100 -0.004 0.000 1.049 72 R CB 0.465 30.761 30.300 -0.006 0.000 0.956 72 R HN 0.407 nan 8.270 nan 0.000 0.422 73 K N 1.312 121.716 120.400 0.007 0.000 2.376 73 K HA 0.332 4.667 4.320 0.025 0.000 0.257 73 K C -0.034 176.580 176.600 0.024 0.000 0.939 73 K CA -0.435 55.845 56.287 -0.011 0.000 0.809 73 K CB 1.813 34.296 32.500 -0.029 0.000 1.121 73 K HN 0.712 nan 8.250 nan 0.000 0.425 74 G N 0.427 109.259 108.800 0.053 0.000 2.630 74 G HA2 0.271 4.246 3.960 0.025 0.000 0.223 74 G HA3 0.271 4.246 3.960 0.025 0.000 0.223 74 G C 0.279 175.286 174.900 0.178 0.000 1.434 74 G CA 0.270 45.455 45.100 0.141 0.000 1.057 74 G HN 0.704 nan 8.290 nan 0.000 0.570 75 S N -2.564 113.318 115.700 0.304 0.000 2.501 75 S HA 0.119 4.604 4.470 0.025 0.000 0.250 75 S C 0.204 174.961 174.600 0.262 0.000 0.959 75 S CA -0.177 58.199 58.200 0.293 0.000 1.250 75 S CB 0.088 63.374 63.200 0.144 0.000 0.933 75 S HN 0.489 nan 8.310 nan 0.000 0.420 76 E N 2.913 123.189 120.200 0.126 0.000 2.392 76 E HA 0.332 4.697 4.350 0.025 0.000 0.264 76 E C -0.165 176.348 176.600 -0.145 0.000 1.024 76 E CA 0.102 56.510 56.400 0.013 0.000 0.903 76 E CB 0.120 29.822 29.700 0.003 0.000 0.963 76 E HN 0.362 nan 8.360 nan 0.000 0.432 77 N N 0.210 118.836 118.700 -0.123 0.000 2.900 77 N HA -0.224 4.531 4.740 0.025 0.000 0.240 77 N C -1.000 174.362 175.510 -0.246 0.000 0.953 77 N CA 1.273 54.202 53.050 -0.202 0.000 0.950 77 N CB -1.355 36.972 38.487 -0.268 0.000 1.102 77 N HN 0.385 nan 8.380 nan 0.000 0.593 78 Y N 0.720 121.027 120.300 0.011 0.000 2.352 78 Y HA 0.623 5.189 4.550 0.026 0.000 0.326 78 Y C 1.017 176.921 175.900 0.006 0.000 1.166 78 Y CA -0.600 57.505 58.100 0.009 0.000 1.182 78 Y CB 0.970 39.435 38.460 0.009 0.000 1.216 78 Y HN 0.132 nan 8.280 nan 0.000 0.474 79 A N 2.786 125.721 122.820 0.193 0.000 2.407 79 A HA 0.372 4.707 4.320 0.025 0.000 0.248 79 A C -0.628 177.005 177.584 0.083 0.000 1.082 79 A CA -0.525 51.573 52.037 0.102 0.000 0.785 79 A CB 0.057 19.103 19.000 0.075 0.000 1.020 79 A HN 0.722 nan 8.150 nan 0.000 0.489 80 L N 2.774 124.027 121.223 0.049 0.000 2.410 80 L HA 0.490 4.845 4.340 0.025 0.000 0.273 80 L C 0.684 177.564 176.870 0.016 0.000 1.152 80 L CA 1.256 56.111 54.840 0.026 0.000 0.855 80 L CB 0.348 42.413 42.059 0.010 0.000 1.129 80 L HN 0.925 nan 8.230 nan 0.000 0.463 81 T N 0.358 114.916 114.554 0.006 0.000 2.865 81 T HA 0.647 5.012 4.350 0.025 0.000 0.294 81 T C 0.191 174.893 174.700 0.002 0.000 1.119 81 T CA -0.192 61.913 62.100 0.009 0.000 1.007 81 T CB 1.007 69.883 68.868 0.013 0.000 1.225 81 T HN 0.810 nan 8.240 nan 0.000 0.515 82 T N 0.380 114.948 114.554 0.023 0.000 2.701 82 T HA 0.188 4.553 4.350 0.025 0.000 0.303 82 T C 1.124 175.838 174.700 0.025 0.000 1.030 82 T CA -0.398 61.723 62.100 0.035 0.000 1.010 82 T CB -0.100 68.829 68.868 0.103 0.000 1.007 82 T HN 0.576 nan 8.240 nan 0.000 0.532 83 N N 0.577 119.294 118.700 0.029 0.000 2.364 83 N HA -0.082 4.673 4.740 0.025 0.000 0.183 83 N C 1.631 177.161 175.510 0.032 0.000 1.022 83 N CA 0.719 53.781 53.050 0.019 0.000 0.883 83 N CB -0.222 38.284 38.487 0.033 0.000 0.965 83 N HN 0.576 nan 8.380 nan 0.000 0.438 84 Q N -0.359 119.474 119.800 0.054 0.000 2.365 84 Q HA 0.171 4.526 4.340 0.025 0.000 0.203 84 Q C 0.775 176.798 176.000 0.038 0.000 0.929 84 Q CA 0.246 56.077 55.803 0.047 0.000 0.948 84 Q CB 0.238 29.011 28.738 0.058 0.000 1.043 84 Q HN 0.414 nan 8.270 nan 0.000 0.505 85 G N 0.457 109.277 108.800 0.033 0.000 2.136 85 G HA2 -0.239 3.736 3.960 0.025 0.000 0.242 85 G HA3 -0.239 3.736 3.960 0.025 0.000 0.242 85 G C 0.062 174.987 174.900 0.042 0.000 0.989 85 G CA 0.144 45.258 45.100 0.024 0.000 0.682 85 G HN 0.232 nan 8.290 nan 0.000 0.522 86 V N 1.550 121.505 119.914 0.068 0.000 2.406 86 V HA 0.365 4.500 4.120 0.025 0.000 0.272 86 V C 1.272 177.405 176.094 0.065 0.000 1.043 86 V CA -0.634 61.718 62.300 0.088 0.000 0.915 86 V CB 1.143 33.066 31.823 0.166 0.000 0.988 86 V HN 0.400 nan 8.190 nan 0.000 0.466 87 R N 4.453 124.984 120.500 0.052 0.000 2.489 87 R HA 0.336 4.690 4.340 0.025 0.000 0.287 87 R C -0.507 175.807 176.300 0.022 0.000 1.053 87 R CA -0.031 56.090 56.100 0.035 0.000 1.036 87 R CB 0.479 30.799 30.300 0.034 0.000 0.966 87 R HN 0.578 nan 8.270 nan 0.000 0.432 88 I N 2.197 122.768 120.570 0.002 0.000 2.353 88 I HA 0.104 4.289 4.170 0.025 0.000 0.293 88 I C 1.000 177.106 176.117 -0.019 0.000 0.992 88 I CA 0.088 61.373 61.300 -0.025 0.000 1.268 88 I CB 1.848 39.822 38.000 -0.044 0.000 1.387 88 I HN 0.769 nan 8.210 nan 0.000 0.478 89 A N 4.119 126.924 122.820 -0.025 0.000 1.901 89 A HA 0.020 4.355 4.320 0.025 0.000 0.210 89 A C 0.663 178.231 177.584 -0.026 0.000 1.208 89 A CA 0.832 52.859 52.037 -0.018 0.000 0.644 89 A CB 0.075 19.067 19.000 -0.013 0.000 0.863 89 A HN 0.677 nan 8.150 nan 0.000 0.454 90 D N -0.434 119.942 120.400 -0.040 0.000 2.440 90 D HA 0.324 4.979 4.640 0.025 0.000 0.252 90 D C -1.307 174.960 176.300 -0.054 0.000 1.180 90 D CA -0.381 53.594 54.000 -0.042 0.000 0.894 90 D CB 1.157 41.933 40.800 -0.039 0.000 1.111 90 D HN 0.056 nan 8.370 nan 0.000 0.544 91 D N 2.114 122.485 120.400 -0.048 0.000 2.370 91 D HA 0.052 4.707 4.640 0.025 0.000 0.230 91 D C 0.563 176.831 176.300 -0.053 0.000 1.143 91 D CA 0.288 54.255 54.000 -0.055 0.000 0.834 91 D CB 0.482 41.255 40.800 -0.045 0.000 0.944 91 D HN 0.250 nan 8.370 nan 0.000 0.504 92 Q N -0.665 119.106 119.800 -0.050 0.000 2.246 92 Q HA 0.265 4.620 4.340 0.025 0.000 0.222 92 Q C -0.192 175.778 176.000 -0.049 0.000 0.851 92 Q CA 0.134 55.909 55.803 -0.047 0.000 0.945 92 Q CB 0.853 29.568 28.738 -0.038 0.000 1.122 92 Q HN 0.191 nan 8.270 nan 0.000 0.508 93 N N 0.070 118.738 118.700 -0.053 0.000 2.277 93 N HA 0.318 5.073 4.740 0.025 0.000 0.286 93 N C -0.983 174.491 175.510 -0.059 0.000 1.140 93 N CA -0.253 52.767 53.050 -0.050 0.000 0.799 93 N CB 2.120 40.582 38.487 -0.041 0.000 1.596 93 N HN -0.182 nan 8.380 nan 0.000 0.473 94 S N 0.694 116.363 115.700 -0.052 0.000 2.617 94 S HA 0.322 4.807 4.470 0.025 0.000 0.269 94 S C 0.096 174.670 174.600 -0.044 0.000 1.292 94 S CA -0.577 57.592 58.200 -0.053 0.000 1.010 94 S CB 0.794 63.969 63.200 -0.041 0.000 0.944 94 S HN 0.397 nan 8.310 nan 0.000 0.536 95 L N 3.254 124.451 121.223 -0.044 0.000 2.319 95 L HA 0.447 4.802 4.340 0.025 0.000 0.280 95 L C 0.013 176.874 176.870 -0.015 0.000 1.099 95 L CA 0.327 55.150 54.840 -0.028 0.000 0.828 95 L CB -0.040 42.005 42.059 -0.024 0.000 1.150 95 L HN 0.726 nan 8.230 nan 0.000 0.442 96 R N 4.173 124.667 120.500 -0.010 0.000 2.808 96 R HA 0.848 5.203 4.340 0.025 0.000 0.272 96 R C -1.129 175.170 176.300 -0.002 0.000 0.995 96 R CA -0.841 55.255 56.100 -0.006 0.000 0.917 96 R CB 1.162 31.457 30.300 -0.009 0.000 1.217 96 R HN 0.589 nan 8.270 nan 0.000 0.471 97 A N 1.420 124.240 122.820 0.001 0.000 2.671 97 A HA 0.570 4.905 4.320 0.025 0.000 0.306 97 A C 0.646 178.230 177.584 -0.000 0.000 1.473 97 A CA 0.366 52.404 52.037 0.002 0.000 1.155 97 A CB -0.999 18.004 19.000 0.004 0.000 1.123 97 A HN 1.237 nan 8.150 nan 0.000 0.545 98 G N 1.185 109.984 108.800 -0.001 0.000 2.705 98 G HA2 0.026 4.001 3.960 0.025 0.000 0.686 98 G HA3 0.026 4.001 3.960 0.025 0.000 0.686 98 G C 0.661 175.557 174.900 -0.005 0.000 1.285 98 G CA 0.110 45.208 45.100 -0.003 0.000 0.800 98 G HN 1.841 nan 8.290 nan 0.000 0.611 99 S N -0.187 115.509 115.700 -0.007 0.000 2.555 99 S HA 0.012 4.497 4.470 0.025 0.000 0.230 99 S C 1.531 176.125 174.600 -0.010 0.000 0.978 99 S CA 1.313 59.508 58.200 -0.009 0.000 0.934 99 S CB 0.059 63.253 63.200 -0.010 0.000 0.766 99 S HN 0.754 nan 8.310 nan 0.000 0.533 100 R N 0.791 121.286 120.500 -0.008 0.000 2.546 100 R HA 0.348 4.703 4.340 0.025 0.000 0.320 100 R C 0.925 177.221 176.300 -0.006 0.000 1.021 100 R CA 0.088 56.184 56.100 -0.008 0.000 1.088 100 R CB 0.758 31.054 30.300 -0.007 0.000 1.278 100 R HN 0.447 nan 8.270 nan 0.000 0.557 101 G N 1.609 110.406 108.800 -0.006 0.000 2.671 101 G HA2 0.430 4.405 3.960 0.025 0.000 0.275 101 G HA3 0.430 4.405 3.960 0.025 0.000 0.275 101 G C -2.505 172.392 174.900 -0.004 0.000 1.368 101 G CA -1.083 44.015 45.100 -0.004 0.000 1.044 101 G HN -0.118 nan 8.290 nan 0.000 0.543 102 P HA 0.282 nan 4.420 nan 0.000 0.281 102 P C -0.362 176.937 177.300 -0.001 0.000 1.249 102 P CA -0.147 62.953 63.100 -0.001 0.000 0.810 102 P CB 1.131 32.833 31.700 0.002 0.000 1.008 103 T N 2.150 116.702 114.554 -0.002 0.000 2.919 103 T HA 0.259 4.624 4.350 0.025 0.000 0.302 103 T C 0.499 175.202 174.700 0.006 0.000 1.031 103 T CA -0.071 62.028 62.100 -0.002 0.000 1.127 103 T CB -0.009 68.855 68.868 -0.006 0.000 0.952 103 T HN 0.174 nan 8.240 nan 0.000 0.540 104 L N 3.280 124.508 121.223 0.009 0.000 2.343 104 L HA 0.341 4.696 4.340 0.025 0.000 0.275 104 L C 1.340 178.227 176.870 0.029 0.000 1.056 104 L CA -0.822 54.029 54.840 0.019 0.000 0.804 104 L CB 0.983 43.055 42.059 0.023 0.000 1.203 104 L HN 0.500 nan 8.230 nan 0.000 0.440 105 L N 2.005 123.249 121.223 0.035 0.000 2.201 105 L HA -0.173 4.182 4.340 0.025 0.000 0.212 105 L C 2.331 179.243 176.870 0.070 0.000 1.105 105 L CA 1.588 56.456 54.840 0.046 0.000 0.775 105 L CB -0.588 41.495 42.059 0.041 0.000 0.913 105 L HN 0.787 nan 8.230 nan 0.000 0.440 106 E N -1.444 118.802 120.200 0.076 0.000 2.515 106 E HA -0.202 4.163 4.350 0.025 0.000 0.201 106 E C 0.240 176.948 176.600 0.180 0.000 1.071 106 E CA 0.347 56.819 56.400 0.122 0.000 0.880 106 E CB -0.562 29.202 29.700 0.106 0.000 0.828 106 E HN 0.377 nan 8.360 nan 0.000 0.540 107 D N 1.143 121.601 120.400 0.098 0.000 2.489 107 D HA -0.053 4.602 4.640 0.025 0.000 0.237 107 D C 0.383 176.703 176.300 0.033 0.000 1.212 107 D CA -0.423 53.589 54.000 0.019 0.000 1.058 107 D CB -0.225 40.554 40.800 -0.034 0.000 1.098 107 D HN 0.316 nan 8.370 nan 0.000 0.509 108 F N 1.621 121.580 119.950 0.014 0.000 2.456 108 F HA 0.127 4.665 4.527 0.019 0.000 0.298 108 F C 1.637 177.449 175.800 0.020 0.000 1.104 108 F CA -0.023 57.989 58.000 0.019 0.000 1.435 108 F CB -0.574 38.437 39.000 0.018 0.000 1.078 108 F HN 0.157 nan 8.300 nan 0.000 0.546 109 I N 0.397 120.574 120.570 -0.655 0.000 2.233 109 I HA -0.199 3.986 4.170 0.025 0.000 0.243 109 I C 2.489 178.499 176.117 -0.178 0.000 1.093 109 I CA 1.023 62.055 61.300 -0.447 0.000 1.380 109 I CB -0.497 37.175 38.000 -0.547 0.000 1.067 109 I HN 0.267 nan 8.210 nan 0.000 0.413 110 L N 1.167 122.297 121.223 -0.155 0.000 1.989 110 L HA -0.227 4.128 4.340 0.025 0.000 0.211 110 L C 2.649 179.509 176.870 -0.017 0.000 1.071 110 L CA 1.932 56.727 54.840 -0.075 0.000 0.749 110 L CB -0.559 41.463 42.059 -0.062 0.000 0.890 110 L HN 0.056 nan 8.230 nan 0.000 0.431 111 R N -0.687 119.822 120.500 0.015 0.000 2.120 111 R HA -0.177 4.178 4.340 0.025 0.000 0.234 111 R C 2.303 178.658 176.300 0.091 0.000 1.123 111 R CA 1.479 57.617 56.100 0.063 0.000 0.975 111 R CB -0.360 29.993 30.300 0.088 0.000 0.866 111 R HN 0.615 nan 8.270 nan 0.000 0.446 112 E N 1.242 121.498 120.200 0.094 0.000 2.047 112 E HA -0.235 4.130 4.350 0.025 0.000 0.191 112 E C 1.923 178.597 176.600 0.123 0.000 0.987 112 E CA 1.209 57.683 56.400 0.123 0.000 0.799 112 E CB 0.103 29.880 29.700 0.129 0.000 0.752 112 E HN 0.153 nan 8.360 nan 0.000 0.449 113 K N 0.336 120.778 120.400 0.070 0.000 2.026 113 K HA -0.138 4.196 4.320 0.025 0.000 0.208 113 K C 2.156 178.827 176.600 0.118 0.000 1.048 113 K CA 1.443 57.769 56.287 0.066 0.000 0.929 113 K CB -0.059 32.438 32.500 -0.004 0.000 0.713 113 K HN 0.148 nan 8.250 nan 0.000 0.439 114 I N 1.380 122.000 120.570 0.084 0.000 2.315 114 I HA -0.189 3.996 4.170 0.025 0.000 0.248 114 I C 2.153 178.376 176.117 0.177 0.000 1.117 114 I CA 1.348 62.718 61.300 0.117 0.000 1.404 114 I CB -1.491 36.541 38.000 0.053 0.000 1.071 114 I HN 0.253 nan 8.210 nan 0.000 0.419 115 T N -0.273 114.377 114.554 0.160 0.000 2.708 115 T HA -0.222 4.143 4.350 0.025 0.000 0.266 115 T C 1.968 176.798 174.700 0.217 0.000 1.037 115 T CA 1.447 63.659 62.100 0.186 0.000 1.146 115 T CB -0.423 68.569 68.868 0.206 0.000 0.865 115 T HN 0.355 nan 8.240 nan 0.000 0.435 116 H N -0.170 118.991 119.070 0.151 0.000 2.389 116 H HA -0.043 4.527 4.556 0.024 0.000 0.299 116 H C 2.193 177.577 175.328 0.095 0.000 1.081 116 H CA 1.363 57.487 56.048 0.127 0.000 1.345 116 H CB -0.384 29.434 29.762 0.094 0.000 1.393 116 H HN 0.382 nan 8.280 nan 0.000 0.520 117 F N 2.158 122.169 119.950 0.103 0.000 2.095 117 F HA -0.220 4.319 4.527 0.020 0.000 0.298 117 F C 1.968 177.713 175.800 -0.092 0.000 1.104 117 F CA 1.874 59.881 58.000 0.011 0.000 1.232 117 F CB -0.379 38.620 39.000 -0.002 0.000 0.987 117 F HN 0.066 nan 8.300 nan 0.000 0.475 118 D N -1.235 119.076 120.400 -0.149 0.000 2.309 118 D HA -0.142 4.513 4.640 0.025 0.000 0.212 118 D C 1.123 177.020 176.300 -0.671 0.000 0.968 118 D CA 1.186 54.931 54.000 -0.425 0.000 0.882 118 D CB -0.357 40.169 40.800 -0.456 0.000 0.918 118 D HN 0.493 nan 8.370 nan 0.000 0.503 119 H N -0.522 118.429 119.070 -0.198 0.000 2.510 119 H HA 0.224 4.791 4.556 0.018 0.000 0.266 119 H C 0.990 176.152 175.328 -0.276 0.000 1.146 119 H CA -0.144 55.782 56.048 -0.204 0.000 0.993 119 H CB 0.482 30.142 29.762 -0.170 0.000 1.727 119 H HN 0.247 nan 8.280 nan 0.000 0.590 120 E N 0.695 120.729 120.200 -0.276 0.000 2.106 120 E HA -0.055 4.310 4.350 0.025 0.000 0.192 120 E C 0.523 176.962 176.600 -0.269 0.000 0.984 120 E CA 0.613 56.821 56.400 -0.320 0.000 0.806 120 E CB 0.425 29.912 29.700 -0.355 0.000 0.750 120 E HN 0.165 nan 8.360 nan 0.000 0.458 121 R N 1.264 121.666 120.500 -0.163 0.000 2.441 121 R HA 0.309 4.664 4.340 0.025 0.000 0.284 121 R C 0.468 176.801 176.300 0.054 0.000 1.070 121 R CA -0.141 55.936 56.100 -0.038 0.000 1.047 121 R CB 0.551 30.823 30.300 -0.046 0.000 1.016 121 R HN 0.185 nan 8.270 nan 0.000 0.477 122 I N -0.884 119.784 120.570 0.163 0.000 2.910 122 I HA 0.594 4.779 4.170 0.025 0.000 0.310 122 I C -2.227 173.952 176.117 0.103 0.000 1.043 122 I CA -2.980 58.407 61.300 0.145 0.000 1.053 122 I CB 1.747 39.874 38.000 0.212 0.000 1.242 122 I HN 0.245 nan 8.210 nan 0.000 0.452 123 P HA 0.105 nan 4.420 nan 0.000 0.268 123 P C -0.973 176.358 177.300 0.051 0.000 1.205 123 P CA -0.102 63.026 63.100 0.046 0.000 0.771 123 P CB 0.433 32.148 31.700 0.025 0.000 0.858 124 E N 2.546 122.778 120.200 0.054 0.000 2.369 124 E HA 0.218 4.583 4.350 0.025 0.000 0.255 124 E C -0.447 176.180 176.600 0.045 0.000 1.172 124 E CA -0.878 55.560 56.400 0.062 0.000 0.932 124 E CB 0.616 30.358 29.700 0.071 0.000 1.040 124 E HN 0.251 nan 8.360 nan 0.000 0.454 125 R N 0.688 121.220 120.500 0.053 0.000 2.640 125 R HA -0.014 4.341 4.340 0.025 0.000 0.270 125 R C 1.257 177.592 176.300 0.058 0.000 1.024 125 R CA -0.399 55.730 56.100 0.048 0.000 1.085 125 R CB 0.254 30.601 30.300 0.078 0.000 0.963 125 R HN 0.573 nan 8.270 nan 0.000 0.426 126 I N 1.942 122.541 120.570 0.048 0.000 2.226 126 I HA -0.141 4.044 4.170 0.025 0.000 0.245 126 I C 1.227 177.399 176.117 0.092 0.000 1.100 126 I CA 1.525 62.862 61.300 0.063 0.000 1.374 126 I CB -1.017 37.025 38.000 0.070 0.000 1.057 126 I HN 0.402 nan 8.210 nan 0.000 0.413 127 V N -3.464 116.541 119.914 0.151 0.000 3.102 127 V HA 0.504 4.639 4.120 0.025 0.000 0.312 127 V C 0.422 176.689 176.094 0.289 0.000 1.135 127 V CA -0.889 61.526 62.300 0.191 0.000 1.022 127 V CB 1.704 33.720 31.823 0.322 0.000 1.056 127 V HN 0.427 nan 8.190 nan 0.000 0.436 128 H N 0.054 119.187 119.070 0.105 0.000 2.820 128 H HA -0.233 4.338 4.556 0.025 0.000 0.295 128 H C 1.574 176.948 175.328 0.076 0.000 1.187 128 H CA 0.728 56.830 56.048 0.090 0.000 1.144 128 H CB -1.203 28.599 29.762 0.066 0.000 1.354 128 H HN 1.155 nan 8.280 nan 0.000 0.395 129 A N 0.778 123.687 122.820 0.148 0.000 2.024 129 A HA -0.130 4.205 4.320 0.025 0.000 0.220 129 A C 1.699 179.373 177.584 0.149 0.000 1.164 129 A CA 1.405 53.518 52.037 0.127 0.000 0.643 129 A CB -0.106 18.948 19.000 0.091 0.000 0.806 129 A HN 0.307 nan 8.150 nan 0.000 0.451 130 R N 0.057 120.646 120.500 0.148 0.000 2.202 130 R HA 0.511 4.865 4.340 0.025 0.000 0.334 130 R C -0.194 176.232 176.300 0.211 0.000 1.036 130 R CA 0.752 56.958 56.100 0.177 0.000 0.878 130 R CB 0.385 30.775 30.300 0.150 0.000 1.067 130 R HN 0.315 nan 8.270 nan 0.000 0.457 131 G N 1.067 110.020 108.800 0.255 0.000 2.703 131 G HA2 0.485 4.459 3.960 0.025 0.000 0.294 131 G HA3 0.485 4.459 3.960 0.025 0.000 0.294 131 G C -1.608 173.452 174.900 0.267 0.000 1.451 131 G CA -0.584 44.630 45.100 0.190 0.000 0.869 131 G HN 0.504 nan 8.290 nan 0.000 0.516 132 S N -0.866 114.938 115.700 0.174 0.000 2.538 132 S HA 0.901 5.386 4.470 0.025 0.000 0.288 132 S C -0.116 174.495 174.600 0.018 0.000 1.108 132 S CA -0.210 58.148 58.200 0.263 0.000 0.971 132 S CB 1.797 65.260 63.200 0.439 0.000 1.041 132 S HN 1.555 nan 8.310 nan 0.000 0.483 133 A N 1.528 124.325 122.820 -0.038 0.000 2.515 133 A HA 1.024 5.358 4.320 0.025 0.000 0.296 133 A C -0.931 176.443 177.584 -0.350 0.000 1.094 133 A CA -0.732 51.051 52.037 -0.423 0.000 0.718 133 A CB 1.619 20.195 19.000 -0.705 0.000 1.307 133 A HN 1.318 nan 8.150 nan 0.000 0.408 134 A N 0.586 123.029 122.820 -0.629 0.000 2.606 134 A HA 0.718 5.053 4.320 0.025 0.000 0.293 134 A C -1.149 176.229 177.584 -0.344 0.000 1.082 134 A CA -0.655 51.185 52.037 -0.329 0.000 0.685 134 A CB 0.763 19.677 19.000 -0.144 0.000 1.284 134 A HN 0.879 nan 8.150 nan 0.000 0.408 135 H N -0.242 118.863 119.070 0.059 0.000 2.511 135 H HA 0.659 5.229 4.556 0.025 0.000 0.346 135 H C 0.638 175.974 175.328 0.013 0.000 1.128 135 H CA 0.996 57.132 56.048 0.147 0.000 1.342 135 H CB 1.798 31.636 29.762 0.126 0.000 1.470 135 H HN 1.135 nan 8.280 nan 0.000 0.546 136 G N 1.017 109.919 108.800 0.170 0.000 2.588 136 G HA2 0.353 4.328 3.960 0.025 0.000 0.281 136 G HA3 0.353 4.328 3.960 0.025 0.000 0.281 136 G C -1.993 173.048 174.900 0.235 0.000 1.223 136 G CA -0.623 44.546 45.100 0.115 0.000 0.871 136 G HN 0.623 nan 8.290 nan 0.000 0.492 137 Y N -1.699 118.641 120.300 0.066 0.000 2.597 137 Y HA 0.829 5.394 4.550 0.025 0.000 0.340 137 Y C -1.749 174.295 175.900 0.240 0.000 1.097 137 Y CA -1.913 56.271 58.100 0.139 0.000 1.037 137 Y CB 1.865 40.378 38.460 0.088 0.000 1.305 137 Y HN 0.803 nan 8.280 nan 0.000 0.463 138 F N 2.225 122.314 119.950 0.231 0.000 2.563 138 F HA 0.707 5.249 4.527 0.025 0.000 0.316 138 F C -1.237 174.751 175.800 0.312 0.000 1.076 138 F CA -0.629 57.510 58.000 0.233 0.000 0.921 138 F CB 2.382 41.651 39.000 0.448 0.000 1.209 138 F HN 0.793 nan 8.300 nan 0.000 0.462 139 Q N 6.517 125.774 119.800 -0.905 0.000 2.315 139 Q HA 0.493 4.848 4.340 0.025 0.000 0.273 139 Q C -2.906 172.456 176.000 -1.063 0.000 1.053 139 Q CA -2.389 53.051 55.803 -0.605 0.000 0.817 139 Q CB 3.119 31.764 28.738 -0.155 0.000 1.326 139 Q HN 0.356 nan 8.270 nan 0.000 0.423 140 P HA 0.084 nan 4.420 nan 0.000 0.279 140 P C -0.465 176.694 177.300 -0.236 0.000 1.252 140 P CA -0.016 62.824 63.100 -0.433 0.000 0.811 140 P CB 0.701 32.334 31.700 -0.112 0.000 1.035 141 Y N 0.527 120.765 120.300 -0.104 0.000 2.314 141 Y HA -0.060 4.505 4.550 0.025 0.000 0.293 141 Y C 1.507 177.379 175.900 -0.045 0.000 1.129 141 Y CA 0.542 58.604 58.100 -0.064 0.000 1.201 141 Y CB 0.219 38.649 38.460 -0.050 0.000 0.999 141 Y HN 0.361 nan 8.280 nan 0.000 0.541 142 K N -1.028 119.436 120.400 0.107 0.000 2.555 142 K HA 0.380 4.715 4.320 0.025 0.000 0.279 142 K C -0.915 175.692 176.600 0.011 0.000 0.986 142 K CA -0.944 55.374 56.287 0.051 0.000 0.880 142 K CB 1.568 34.098 32.500 0.049 0.000 1.474 142 K HN -0.254 nan 8.250 nan 0.000 0.433 143 S N 0.963 116.666 115.700 0.005 0.000 2.537 143 S HA 0.114 4.599 4.470 0.025 0.000 0.286 143 S C 0.485 175.075 174.600 -0.018 0.000 1.299 143 S CA -0.556 57.638 58.200 -0.011 0.000 1.067 143 S CB -0.221 62.976 63.200 -0.005 0.000 0.864 143 S HN 0.545 nan 8.310 nan 0.000 0.494 144 L N 4.869 126.069 121.223 -0.037 0.000 2.791 144 L HA 0.118 4.472 4.340 0.025 0.000 0.239 144 L C 2.072 178.924 176.870 -0.030 0.000 1.203 144 L CA 0.008 54.832 54.840 -0.027 0.000 1.002 144 L CB -0.352 41.694 42.059 -0.022 0.000 1.295 144 L HN 0.848 nan 8.230 nan 0.000 0.504 145 S N -1.517 114.164 115.700 -0.032 0.000 2.419 145 S HA -0.201 4.284 4.470 0.025 0.000 0.235 145 S C 1.274 175.856 174.600 -0.030 0.000 1.019 145 S CA 1.197 59.377 58.200 -0.034 0.000 0.982 145 S CB -0.185 63.000 63.200 -0.025 0.000 0.789 145 S HN 0.402 nan 8.310 nan 0.000 0.490 146 D N 1.908 122.296 120.400 -0.020 0.000 2.264 146 D HA 0.017 4.672 4.640 0.025 0.000 0.208 146 D C 1.734 178.018 176.300 -0.028 0.000 0.966 146 D CA 1.341 55.329 54.000 -0.020 0.000 0.864 146 D CB -0.175 40.619 40.800 -0.010 0.000 0.933 146 D HN 0.826 nan 8.370 nan 0.000 0.499 147 I N -4.525 116.028 120.570 -0.028 0.000 4.456 147 I HA 0.242 4.427 4.170 0.025 0.000 0.329 147 I C 0.319 176.393 176.117 -0.070 0.000 1.313 147 I CA -0.087 61.189 61.300 -0.040 0.000 1.205 147 I CB 1.302 39.298 38.000 -0.007 0.000 1.179 147 I HN -0.256 nan 8.210 nan 0.000 0.419 148 T N 1.588 116.101 114.554 -0.068 0.000 3.012 148 T HA 0.302 4.667 4.350 0.025 0.000 0.330 148 T C -0.164 174.479 174.700 -0.096 0.000 1.321 148 T CA -0.647 61.392 62.100 -0.101 0.000 1.067 148 T CB 1.754 70.550 68.868 -0.119 0.000 1.235 148 T HN 0.427 nan 8.240 nan 0.000 0.479 149 K N 2.481 122.823 120.400 -0.097 0.000 2.458 149 K HA 0.583 4.918 4.320 0.025 0.000 0.194 149 K C 0.761 177.316 176.600 -0.075 0.000 1.024 149 K CA -0.275 55.967 56.287 -0.075 0.000 1.108 149 K CB 0.206 32.669 32.500 -0.061 0.000 0.846 149 K HN 0.510 nan 8.250 nan 0.000 0.518 150 A N 2.100 124.849 122.820 -0.119 0.000 2.548 150 A HA -0.067 4.268 4.320 0.025 0.000 0.247 150 A C 0.568 178.101 177.584 -0.085 0.000 1.067 150 A CA 0.128 52.098 52.037 -0.112 0.000 0.757 150 A CB 0.085 18.926 19.000 -0.264 0.000 0.996 150 A HN 0.470 nan 8.150 nan 0.000 0.504 151 D N 2.055 122.486 120.400 0.052 0.000 2.144 151 D HA -0.200 4.455 4.640 0.025 0.000 0.200 151 D C 1.333 177.705 176.300 0.119 0.000 0.978 151 D CA 2.075 56.122 54.000 0.078 0.000 0.833 151 D CB -0.224 40.645 40.800 0.116 0.000 0.961 151 D HN 0.718 nan 8.370 nan 0.000 0.470 152 F N -0.602 119.364 119.950 0.027 0.000 2.546 152 F HA 0.169 4.712 4.527 0.026 0.000 0.298 152 F C 0.998 176.882 175.800 0.140 0.000 1.120 152 F CA 0.426 58.482 58.000 0.093 0.000 1.456 152 F CB -0.200 38.846 39.000 0.077 0.000 1.088 152 F HN -0.063 nan 8.300 nan 0.000 0.572 153 L N 0.796 121.724 121.223 -0.491 0.000 2.910 153 L HA 0.201 4.556 4.340 0.025 0.000 0.252 153 L C 1.808 178.589 176.870 -0.148 0.000 1.195 153 L CA 0.334 54.945 54.840 -0.381 0.000 1.003 153 L CB -0.041 41.670 42.059 -0.580 0.000 1.328 153 L HN 0.337 nan 8.230 nan 0.000 0.540 154 S N -2.468 113.188 115.700 -0.072 0.000 2.524 154 S HA 0.060 4.545 4.470 0.025 0.000 0.216 154 S C 0.346 174.943 174.600 -0.006 0.000 0.987 154 S CA -0.118 58.062 58.200 -0.035 0.000 0.909 154 S CB 0.221 63.413 63.200 -0.013 0.000 0.781 154 S HN 0.344 nan 8.310 nan 0.000 0.521 155 D N 0.704 121.110 120.400 0.011 0.000 2.861 155 D HA 0.295 4.949 4.640 0.025 0.000 0.216 155 D C -2.514 173.802 176.300 0.026 0.000 1.323 155 D CA -1.661 52.353 54.000 0.022 0.000 0.917 155 D CB 2.034 42.854 40.800 0.034 0.000 1.582 155 D HN -0.142 nan 8.370 nan 0.000 0.576 156 P HA -0.099 nan 4.420 nan 0.000 0.221 156 P C 0.475 177.792 177.300 0.029 0.000 1.145 156 P CA 0.744 63.856 63.100 0.021 0.000 0.795 156 P CB 0.429 32.152 31.700 0.038 0.000 0.775 157 N N -0.350 118.372 118.700 0.036 0.000 2.398 157 N HA -0.008 4.747 4.740 0.025 0.000 0.188 157 N C 0.716 176.259 175.510 0.056 0.000 1.122 157 N CA 0.255 53.329 53.050 0.041 0.000 0.866 157 N CB -0.012 38.494 38.487 0.033 0.000 0.970 157 N HN 0.279 nan 8.380 nan 0.000 0.462 158 K N 1.824 122.267 120.400 0.072 0.000 2.338 158 K HA 0.130 4.465 4.320 0.025 0.000 0.290 158 K C -0.497 176.198 176.600 0.159 0.000 1.069 158 K CA -0.097 56.257 56.287 0.113 0.000 0.941 158 K CB 0.317 32.897 32.500 0.132 0.000 1.023 158 K HN -0.120 nan 8.250 nan 0.000 0.477 159 I N 3.803 124.468 120.570 0.158 0.000 2.353 159 I HA 0.151 4.336 4.170 0.025 0.000 0.293 159 I C 0.148 176.436 176.117 0.285 0.000 0.992 159 I CA -0.385 61.044 61.300 0.216 0.000 1.268 159 I CB 1.534 39.611 38.000 0.128 0.000 1.387 159 I HN 0.509 nan 8.210 nan 0.000 0.478 160 T N 7.804 122.612 114.554 0.423 0.000 2.772 160 T HA 0.378 4.743 4.350 0.025 0.000 0.288 160 T C -2.463 172.495 174.700 0.430 0.000 0.994 160 T CA -1.350 61.021 62.100 0.451 0.000 0.951 160 T CB 1.630 70.862 68.868 0.608 0.000 0.933 160 T HN 0.273 nan 8.240 nan 0.000 0.447 161 P HA 0.272 nan 4.420 nan 0.000 0.269 161 P C -0.583 176.957 177.300 0.400 0.000 1.209 161 P CA -0.449 62.850 63.100 0.332 0.000 0.776 161 P CB 0.562 32.389 31.700 0.212 0.000 0.876 162 V N -0.123 119.967 119.914 0.293 0.000 3.001 162 V HA 0.742 4.876 4.120 0.025 0.000 0.314 162 V C -1.279 174.974 176.094 0.264 0.000 1.099 162 V CA -0.952 61.417 62.300 0.115 0.000 0.989 162 V CB 2.199 33.881 31.823 -0.234 0.000 1.040 162 V HN 0.322 nan 8.190 nan 0.000 0.434 163 F N 2.145 122.072 119.950 -0.038 0.000 2.539 163 F HA 0.843 5.385 4.527 0.025 0.000 0.318 163 F C -0.902 174.787 175.800 -0.185 0.000 1.135 163 F CA -0.858 57.059 58.000 -0.138 0.000 0.915 163 F CB 1.995 40.945 39.000 -0.084 0.000 1.176 163 F HN 0.518 nan 8.300 nan 0.000 0.440 164 V N 6.685 126.118 119.914 -0.801 0.000 2.540 164 V HA 0.559 4.694 4.120 0.025 0.000 0.302 164 V C -0.630 174.772 176.094 -1.153 0.000 1.035 164 V CA -0.827 60.933 62.300 -0.900 0.000 0.873 164 V CB 1.918 33.162 31.823 -0.965 0.000 0.992 164 V HN 0.742 nan 8.190 nan 0.000 0.428 165 R N 3.604 123.442 120.500 -1.104 0.000 2.437 165 R HA 0.645 5.000 4.340 0.025 0.000 0.310 165 R C -1.565 174.106 176.300 -1.048 0.000 0.955 165 R CA -0.410 55.128 56.100 -0.936 0.000 0.851 165 R CB 1.140 31.064 30.300 -0.626 0.000 1.161 165 R HN 0.548 nan 8.270 nan 0.000 0.446 166 F N 1.825 121.346 119.950 -0.715 0.000 2.432 166 F HA 0.520 5.061 4.527 0.025 0.000 0.329 166 F C 0.379 175.808 175.800 -0.619 0.000 1.076 166 F CA -0.302 57.154 58.000 -0.906 0.000 1.018 166 F CB 2.191 40.132 39.000 -1.764 0.000 1.201 166 F HN 0.588 nan 8.300 nan 0.000 0.489 167 S N -1.089 114.528 115.700 -0.138 0.000 2.596 167 S HA 0.636 5.121 4.470 0.025 0.000 0.270 167 S C -0.539 174.199 174.600 0.230 0.000 1.155 167 S CA -0.909 57.356 58.200 0.109 0.000 0.827 167 S CB 1.387 64.705 63.200 0.195 0.000 1.130 167 S HN 0.730 nan 8.310 nan 0.000 0.467 168 T N -1.434 113.256 114.554 0.226 0.000 2.865 168 T HA 0.654 5.019 4.350 0.025 0.000 0.302 168 T C 0.822 175.488 174.700 -0.057 0.000 1.078 168 T CA -0.061 62.129 62.100 0.151 0.000 0.942 168 T CB 0.200 69.161 68.868 0.156 0.000 1.387 168 T HN 0.613 nan 8.240 nan 0.000 0.557 169 V N -0.222 119.615 119.914 -0.129 0.000 2.948 169 V HA 0.138 4.273 4.120 0.025 0.000 0.234 169 V C 2.736 178.753 176.094 -0.129 0.000 1.205 169 V CA 0.297 62.390 62.300 -0.345 0.000 1.234 169 V CB -0.335 31.367 31.823 -0.202 0.000 1.020 169 V HN 0.861 nan 8.190 nan 0.000 0.491 170 Q N 1.091 120.855 119.800 -0.060 0.000 2.089 170 Q HA 0.080 4.435 4.340 0.025 0.000 0.195 170 Q C 1.293 177.268 176.000 -0.040 0.000 0.963 170 Q CA 1.361 57.126 55.803 -0.063 0.000 0.834 170 Q CB -0.162 28.526 28.738 -0.083 0.000 0.906 170 Q HN 0.588 nan 8.270 nan 0.000 0.452 171 G N -0.160 108.630 108.800 -0.016 0.000 2.606 171 G HA2 0.394 4.369 3.960 0.025 0.000 0.252 171 G HA3 0.394 4.369 3.960 0.025 0.000 0.252 171 G C 0.113 175.020 174.900 0.012 0.000 1.206 171 G CA 0.065 45.161 45.100 -0.007 0.000 0.861 171 G HN 0.335 nan 8.290 nan 0.000 0.561 172 G N -1.195 107.609 108.800 0.006 0.000 2.621 172 G HA2 0.482 4.457 3.960 0.025 0.000 0.271 172 G HA3 0.482 4.457 3.960 0.025 0.000 0.271 172 G C 1.290 176.221 174.900 0.051 0.000 1.236 172 G CA 0.408 45.522 45.100 0.024 0.000 0.958 172 G HN 1.057 nan 8.290 nan 0.000 0.512 173 A N -0.955 121.906 122.820 0.069 0.000 2.070 173 A HA 0.164 4.499 4.320 0.025 0.000 0.220 173 A C 2.139 179.765 177.584 0.070 0.000 1.159 173 A CA 1.871 53.969 52.037 0.102 0.000 0.656 173 A CB -0.300 18.778 19.000 0.130 0.000 0.800 173 A HN 1.092 nan 8.150 nan 0.000 0.453 174 G N -0.133 108.688 108.800 0.036 0.000 3.434 174 G HA2 0.340 4.315 3.960 0.025 0.000 0.258 174 G HA3 0.340 4.315 3.960 0.025 0.000 0.258 174 G C 0.680 175.583 174.900 0.004 0.000 1.128 174 G CA 0.638 45.743 45.100 0.009 0.000 0.792 174 G HN 0.629 nan 8.290 nan 0.000 0.539 175 S N -0.154 115.557 115.700 0.018 0.000 2.641 175 S HA 0.732 5.217 4.470 0.025 0.000 0.261 175 S C 0.453 175.067 174.600 0.024 0.000 1.257 175 S CA -0.054 58.153 58.200 0.012 0.000 0.983 175 S CB 1.525 64.733 63.200 0.014 0.000 0.990 175 S HN 0.577 nan 8.310 nan 0.000 0.572 176 A N 0.113 122.943 122.820 0.016 0.000 2.293 176 A HA 0.461 4.796 4.320 0.025 0.000 0.302 176 A C 0.613 178.220 177.584 0.038 0.000 1.119 176 A CA -0.649 51.395 52.037 0.011 0.000 0.823 176 A CB 0.022 19.011 19.000 -0.019 0.000 1.097 176 A HN 0.844 nan 8.150 nan 0.000 0.491 177 D N 0.720 121.135 120.400 0.025 0.000 2.084 177 D HA -0.090 4.565 4.640 0.025 0.000 0.196 177 D C 1.648 177.933 176.300 -0.024 0.000 0.985 177 D CA 2.374 56.398 54.000 0.041 0.000 0.826 177 D CB -0.263 40.518 40.800 -0.030 0.000 0.978 177 D HN 0.682 nan 8.370 nan 0.000 0.456 178 T N -0.265 114.195 114.554 -0.157 0.000 3.332 178 T HA 0.300 4.665 4.350 0.025 0.000 0.246 178 T C 0.829 175.518 174.700 -0.018 0.000 0.943 178 T CA -0.579 61.425 62.100 -0.159 0.000 0.922 178 T CB -0.932 67.757 68.868 -0.299 0.000 1.086 178 T HN -0.053 nan 8.240 nan 0.000 0.590 179 V N -1.221 118.733 119.914 0.066 0.000 3.319 179 V HA 0.436 4.571 4.120 0.025 0.000 0.303 179 V C 0.679 176.920 176.094 0.244 0.000 1.094 179 V CA -1.367 61.024 62.300 0.153 0.000 1.106 179 V CB 0.374 32.274 31.823 0.127 0.000 1.099 179 V HN 0.555 nan 8.190 nan 0.000 0.476 180 R N 1.503 122.201 120.500 0.329 0.000 2.216 180 R HA 0.487 4.842 4.340 0.025 0.000 0.332 180 R C -0.967 175.418 176.300 0.142 0.000 1.056 180 R CA -0.102 56.145 56.100 0.244 0.000 0.901 180 R CB 0.172 30.546 30.300 0.123 0.000 1.039 180 R HN 1.067 nan 8.270 nan 0.000 0.456 181 D N 3.224 123.720 120.400 0.159 0.000 2.710 181 D HA 0.175 4.830 4.640 0.025 0.000 0.276 181 D C -0.611 175.807 176.300 0.196 0.000 1.267 181 D CA -0.601 53.483 54.000 0.139 0.000 0.772 181 D CB 1.194 42.066 40.800 0.120 0.000 1.299 181 D HN 0.220 nan 8.370 nan 0.000 0.421 182 I N 1.258 121.964 120.570 0.226 0.000 2.882 182 I HA 0.255 4.440 4.170 0.025 0.000 0.286 182 I C 0.836 177.096 176.117 0.237 0.000 1.139 182 I CA -0.092 61.354 61.300 0.243 0.000 1.379 182 I CB 0.071 38.249 38.000 0.298 0.000 1.410 182 I HN 0.236 nan 8.210 nan 0.000 0.594 183 R N 2.548 123.209 120.500 0.269 0.000 2.589 183 R HA 0.552 4.907 4.340 0.025 0.000 0.293 183 R C -0.078 176.413 176.300 0.318 0.000 0.963 183 R CA -0.783 55.492 56.100 0.292 0.000 0.905 183 R CB 1.489 31.984 30.300 0.324 0.000 1.144 183 R HN 0.809 nan 8.270 nan 0.000 0.459 184 G N 1.081 110.085 108.800 0.341 0.000 2.420 184 G HA2 0.452 4.427 3.960 0.025 0.000 0.284 184 G HA3 0.452 4.427 3.960 0.025 0.000 0.284 184 G C -1.254 173.729 174.900 0.137 0.000 1.177 184 G CA -0.041 45.226 45.100 0.279 0.000 0.841 184 G HN 0.352 nan 8.290 nan 0.000 0.527 185 F N 2.074 121.927 119.950 -0.163 0.000 2.902 185 F HA 0.650 5.191 4.527 0.025 0.000 0.368 185 F C -0.255 175.238 175.800 -0.512 0.000 1.202 185 F CA -1.857 55.940 58.000 -0.338 0.000 1.109 185 F CB 1.155 40.073 39.000 -0.137 0.000 1.418 185 F HN 0.668 nan 8.300 nan 0.000 0.527 186 A N 3.545 126.097 122.820 -0.447 0.000 2.331 186 A HA 0.801 5.136 4.320 0.025 0.000 0.320 186 A C -0.730 176.410 177.584 -0.740 0.000 1.138 186 A CA -0.477 51.124 52.037 -0.726 0.000 0.790 186 A CB 0.985 19.187 19.000 -1.331 0.000 1.206 186 A HN 0.559 nan 8.150 nan 0.000 0.470 187 T N 2.231 116.508 114.554 -0.461 0.000 2.840 187 T HA 0.382 4.747 4.350 0.025 0.000 0.287 187 T C -0.430 174.065 174.700 -0.341 0.000 0.991 187 T CA -0.468 61.359 62.100 -0.455 0.000 0.964 187 T CB 1.076 69.605 68.868 -0.565 0.000 0.954 187 T HN 0.639 nan 8.240 nan 0.000 0.438 188 K N 3.527 123.805 120.400 -0.202 0.000 2.263 188 K HA 0.455 4.790 4.320 0.025 0.000 0.272 188 K C -1.256 174.996 176.600 -0.580 0.000 1.033 188 K CA -0.578 55.502 56.287 -0.346 0.000 0.884 188 K CB 0.339 32.576 32.500 -0.437 0.000 1.107 188 K HN 0.396 nan 8.250 nan 0.000 0.460 189 F N 4.376 124.024 119.950 -0.504 0.000 2.391 189 F HA 0.231 4.773 4.527 0.025 0.000 0.359 189 F C -0.420 175.169 175.800 -0.352 0.000 1.122 189 F CA -0.582 57.185 58.000 -0.389 0.000 1.120 189 F CB 0.686 39.361 39.000 -0.541 0.000 1.142 189 F HN 0.454 nan 8.300 nan 0.000 0.483 190 Y N 1.880 122.234 120.300 0.090 0.000 2.632 190 Y HA 0.199 4.764 4.550 0.024 0.000 0.336 190 Y C 1.057 177.012 175.900 0.092 0.000 1.237 190 Y CA -0.840 57.297 58.100 0.061 0.000 1.595 190 Y CB -0.244 38.242 38.460 0.043 0.000 1.508 190 Y HN 0.527 nan 8.280 nan 0.000 0.480 191 T N -2.284 112.364 114.554 0.157 0.000 2.849 191 T HA 0.151 4.516 4.350 0.025 0.000 0.284 191 T C 1.029 175.822 174.700 0.155 0.000 1.004 191 T CA -0.670 61.526 62.100 0.160 0.000 1.021 191 T CB 1.083 70.016 68.868 0.108 0.000 1.013 191 T HN 0.657 nan 8.240 nan 0.000 0.527 192 E N 0.211 120.507 120.200 0.160 0.000 2.347 192 E HA -0.057 4.308 4.350 0.025 0.000 0.196 192 E C 1.162 177.829 176.600 0.112 0.000 1.008 192 E CA 0.757 57.234 56.400 0.128 0.000 0.852 192 E CB 0.131 29.904 29.700 0.121 0.000 0.783 192 E HN 0.740 nan 8.360 nan 0.000 0.505 193 E N 0.164 120.433 120.200 0.116 0.000 2.558 193 E HA 0.240 4.605 4.350 0.025 0.000 0.205 193 E C 0.206 176.857 176.600 0.086 0.000 1.006 193 E CA -0.175 56.285 56.400 0.101 0.000 0.961 193 E CB 1.169 30.932 29.700 0.105 0.000 1.044 193 E HN 0.183 nan 8.360 nan 0.000 0.465 194 G N 1.099 109.945 108.800 0.077 0.000 2.381 194 G HA2 -0.121 3.854 3.960 0.025 0.000 0.672 194 G HA3 -0.121 3.854 3.960 0.025 0.000 0.672 194 G C -0.955 173.959 174.900 0.023 0.000 1.324 194 G CA -1.107 44.018 45.100 0.040 0.000 0.975 194 G HN 0.014 nan 8.290 nan 0.000 0.593 195 I N 0.681 121.230 120.570 -0.035 0.000 2.556 195 I HA 0.404 4.589 4.170 0.025 0.000 0.284 195 I C 0.160 176.290 176.117 0.022 0.000 1.114 195 I CA -0.136 61.115 61.300 -0.081 0.000 1.418 195 I CB 0.728 38.610 38.000 -0.196 0.000 1.394 195 I HN 0.471 nan 8.210 nan 0.000 0.552 196 F N 6.802 126.647 119.950 -0.175 0.000 2.444 196 F HA 0.455 4.997 4.527 0.025 0.000 0.342 196 F C -0.528 175.233 175.800 -0.064 0.000 1.121 196 F CA -1.130 56.766 58.000 -0.174 0.000 0.997 196 F CB 0.810 39.546 39.000 -0.440 0.000 1.130 196 F HN 0.350 nan 8.300 nan 0.000 0.454 197 D N 6.738 126.936 120.400 -0.337 0.000 2.344 197 D HA 0.288 4.943 4.640 0.025 0.000 0.239 197 D C -0.883 174.936 176.300 -0.802 0.000 1.064 197 D CA -0.021 53.718 54.000 -0.435 0.000 0.829 197 D CB 2.372 43.121 40.800 -0.084 0.000 1.129 197 D HN 0.646 nan 8.370 nan 0.000 0.506 198 L N 3.064 123.782 121.223 -0.841 0.000 2.283 198 L HA 0.335 4.689 4.340 0.025 0.000 0.281 198 L C -1.106 175.530 176.870 -0.391 0.000 1.033 198 L CA -0.650 53.756 54.840 -0.725 0.000 0.848 198 L CB 0.876 42.503 42.059 -0.720 0.000 1.226 198 L HN 0.055 nan 8.230 nan 0.000 0.429 199 V N 5.428 125.154 119.914 -0.312 0.000 2.259 199 V HA 0.550 4.685 4.120 0.025 0.000 0.267 199 V C 0.747 176.730 176.094 -0.185 0.000 1.051 199 V CA -0.267 61.858 62.300 -0.291 0.000 0.830 199 V CB 0.592 32.196 31.823 -0.364 0.000 1.080 199 V HN 0.829 nan 8.190 nan 0.000 0.467 200 G N 3.387 112.094 108.800 -0.156 0.000 2.932 200 G HA2 0.680 4.655 3.960 0.025 0.000 0.283 200 G HA3 0.680 4.655 3.960 0.025 0.000 0.283 200 G C -0.925 173.990 174.900 0.025 0.000 1.336 200 G CA -0.596 44.470 45.100 -0.055 0.000 1.056 200 G HN 0.487 nan 8.290 nan 0.000 0.522 201 N N -1.079 117.684 118.700 0.106 0.000 2.761 201 N HA 0.255 5.010 4.740 0.025 0.000 0.283 201 N C 0.278 175.970 175.510 0.302 0.000 1.377 201 N CA -0.751 52.423 53.050 0.207 0.000 0.791 201 N CB 1.396 39.985 38.487 0.170 0.000 1.540 201 N HN 0.522 nan 8.380 nan 0.000 0.539 202 N N -1.331 117.567 118.700 0.330 0.000 2.268 202 N HA 0.003 4.758 4.740 0.025 0.000 0.204 202 N C -0.497 175.272 175.510 0.432 0.000 1.124 202 N CA -0.085 53.217 53.050 0.421 0.000 0.838 202 N CB -0.115 38.595 38.487 0.371 0.000 0.994 202 N HN 0.554 nan 8.380 nan 0.000 0.489 203 T N -3.598 111.028 114.554 0.119 0.000 2.906 203 T HA 0.479 4.844 4.350 0.025 0.000 0.295 203 T C -2.665 171.430 174.700 -1.007 0.000 1.075 203 T CA -1.585 60.136 62.100 -0.631 0.000 1.005 203 T CB 2.939 71.328 68.868 -0.799 0.000 1.136 203 T HN -0.236 nan 8.240 nan 0.000 0.498 204 P HA 0.236 nan 4.420 nan 0.000 0.255 204 P C 0.359 177.143 177.300 -0.861 0.000 1.248 204 P CA -0.018 62.208 63.100 -1.456 0.000 0.807 204 P CB -0.076 30.682 31.700 -1.569 0.000 1.150 205 I N -4.367 115.669 120.570 -0.891 0.000 3.343 205 I HA 0.570 4.755 4.170 0.025 0.000 0.315 205 I C -1.311 174.547 176.117 -0.432 0.000 1.153 205 I CA -1.930 59.005 61.300 -0.608 0.000 0.952 205 I CB 1.327 38.924 38.000 -0.672 0.000 1.287 205 I HN -0.230 nan 8.210 nan 0.000 0.472 206 F N -0.055 119.610 119.950 -0.475 0.000 2.639 206 F HA 0.509 5.051 4.527 0.025 0.000 0.339 206 F C 0.311 175.856 175.800 -0.424 0.000 1.071 206 F CA -0.786 56.964 58.000 -0.418 0.000 0.994 206 F CB 1.981 40.873 39.000 -0.180 0.000 1.341 206 F HN 0.366 nan 8.300 nan 0.000 0.498 207 F N 2.199 121.286 119.950 -1.438 0.000 2.293 207 F HA 0.027 4.569 4.527 0.025 0.000 0.300 207 F C 0.687 176.168 175.800 -0.532 0.000 1.086 207 F CA 0.865 58.249 58.000 -1.027 0.000 1.375 207 F CB -0.173 37.848 39.000 -1.631 0.000 1.045 207 F HN 0.150 nan 8.300 nan 0.000 0.516 208 I N -3.424 117.082 120.570 -0.108 0.000 3.002 208 I HA 0.378 4.563 4.170 0.025 0.000 0.310 208 I C 0.353 176.616 176.117 0.244 0.000 1.087 208 I CA -0.827 60.554 61.300 0.135 0.000 1.017 208 I CB 1.940 40.091 38.000 0.252 0.000 1.226 208 I HN -0.173 nan 8.210 nan 0.000 0.443 209 Q N 0.276 120.222 119.800 0.243 0.000 2.324 209 Q HA 0.163 4.518 4.340 0.025 0.000 0.207 209 Q C -0.341 175.838 176.000 0.299 0.000 0.928 209 Q CA 0.515 56.502 55.803 0.307 0.000 0.890 209 Q CB 0.571 29.557 28.738 0.413 0.000 1.001 209 Q HN 0.652 nan 8.270 nan 0.000 0.517 210 D N -0.900 119.648 120.400 0.246 0.000 2.502 210 D HA 0.307 4.962 4.640 0.025 0.000 0.249 210 D C 0.031 176.464 176.300 0.223 0.000 1.092 210 D CA -0.208 53.909 54.000 0.194 0.000 0.839 210 D CB 1.857 42.742 40.800 0.142 0.000 1.264 210 D HN 0.064 nan 8.370 nan 0.000 0.511 211 A N 3.492 126.416 122.820 0.173 0.000 2.024 211 A HA -0.246 4.089 4.320 0.025 0.000 0.220 211 A C 1.781 179.491 177.584 0.210 0.000 1.164 211 A CA 1.631 53.768 52.037 0.166 0.000 0.643 211 A CB -0.754 18.284 19.000 0.063 0.000 0.806 211 A HN 0.815 nan 8.150 nan 0.000 0.451 212 H N 0.070 119.205 119.070 0.108 0.000 2.460 212 H HA -0.045 4.526 4.556 0.025 0.000 0.297 212 H C 1.559 176.968 175.328 0.136 0.000 1.103 212 H CA 1.934 58.038 56.048 0.094 0.000 1.292 212 H CB 0.050 29.842 29.762 0.050 0.000 1.376 212 H HN 0.419 nan 8.280 nan 0.000 0.531 213 K N -0.728 119.789 120.400 0.194 0.000 2.404 213 K HA -0.031 4.304 4.320 0.025 0.000 0.194 213 K C 1.361 178.092 176.600 0.218 0.000 1.023 213 K CA -0.010 56.389 56.287 0.188 0.000 1.094 213 K CB 0.086 32.756 32.500 0.283 0.000 0.841 213 K HN 0.294 nan 8.250 nan 0.000 0.523 214 F N 2.757 122.764 119.950 0.094 0.000 2.134 214 F HA -0.115 4.426 4.527 0.024 0.000 0.299 214 F C -1.055 174.764 175.800 0.032 0.000 1.097 214 F CA 1.147 59.236 58.000 0.148 0.000 1.264 214 F CB -0.311 38.763 39.000 0.124 0.000 1.001 214 F HN 0.012 nan 8.300 nan 0.000 0.479 215 P HA -0.124 nan 4.420 nan 0.000 0.219 215 P C 1.038 178.029 177.300 -0.515 0.000 1.150 215 P CA 1.625 64.493 63.100 -0.386 0.000 0.814 215 P CB -0.016 31.474 31.700 -0.349 0.000 0.787 216 D N -1.235 119.003 120.400 -0.271 0.000 2.084 216 D HA -0.160 4.495 4.640 0.025 0.000 0.196 216 D C 1.812 177.829 176.300 -0.472 0.000 0.985 216 D CA 1.081 54.962 54.000 -0.199 0.000 0.826 216 D CB -0.890 39.964 40.800 0.089 0.000 0.978 216 D HN 0.131 nan 8.370 nan 0.000 0.456 217 F N 1.853 121.393 119.950 -0.684 0.000 2.069 217 F HA -0.257 4.285 4.527 0.025 0.000 0.298 217 F C 2.308 177.731 175.800 -0.628 0.000 1.113 217 F CA 1.295 58.721 58.000 -0.956 0.000 1.214 217 F CB -0.200 38.450 39.000 -0.583 0.000 0.978 217 F HN -0.237 nan 8.300 nan 0.000 0.474 218 V N 0.094 119.604 119.914 -0.673 0.000 2.358 218 V HA -0.330 3.805 4.120 0.025 0.000 0.246 218 V C 2.267 178.131 176.094 -0.383 0.000 1.047 218 V CA 2.389 64.315 62.300 -0.624 0.000 1.035 218 V CB -1.055 30.427 31.823 -0.568 0.000 0.658 218 V HN 0.469 nan 8.190 nan 0.000 0.452 219 H N -0.179 118.658 119.070 -0.387 0.000 2.387 219 H HA -0.160 4.411 4.556 0.025 0.000 0.299 219 H C 2.343 177.515 175.328 -0.259 0.000 1.099 219 H CA 1.082 56.980 56.048 -0.250 0.000 1.315 219 H CB 0.033 29.699 29.762 -0.159 0.000 1.380 219 H HN 0.488 nan 8.280 nan 0.000 0.513 220 A N 0.451 123.093 122.820 -0.295 0.000 1.902 220 A HA -0.135 4.200 4.320 0.025 0.000 0.217 220 A C 2.545 179.966 177.584 -0.270 0.000 1.181 220 A CA 1.538 53.389 52.037 -0.310 0.000 0.623 220 A CB -0.824 17.861 19.000 -0.525 0.000 0.818 220 A HN 0.307 nan 8.150 nan 0.000 0.443 221 V N -0.175 119.434 119.914 -0.510 0.000 2.591 221 V HA -0.024 4.111 4.120 0.025 0.000 0.249 221 V C 1.009 177.055 176.094 -0.079 0.000 1.053 221 V CA 1.005 63.087 62.300 -0.362 0.000 1.068 221 V CB -0.474 30.921 31.823 -0.713 0.000 0.689 221 V HN 0.356 nan 8.190 nan 0.000 0.462 222 K N 0.827 121.148 120.400 -0.132 0.000 2.187 222 K HA 0.229 4.564 4.320 0.025 0.000 0.247 222 K C -2.285 174.260 176.600 -0.092 0.000 1.019 222 K CA -1.635 54.591 56.287 -0.103 0.000 0.893 222 K CB -0.245 32.190 32.500 -0.109 0.000 1.025 222 K HN 0.171 nan 8.250 nan 0.000 0.500 223 P HA -0.024 nan 4.420 nan 0.000 0.265 223 P C -0.565 176.680 177.300 -0.093 0.000 1.187 223 P CA 0.419 63.386 63.100 -0.221 0.000 0.766 223 P CB 0.361 31.938 31.700 -0.206 0.000 0.820 224 E N 4.808 125.003 120.200 -0.007 0.000 2.383 224 E HA 0.025 4.390 4.350 0.025 0.000 0.264 224 E C -1.326 175.370 176.600 0.161 0.000 1.050 224 E CA -1.390 55.117 56.400 0.178 0.000 0.896 224 E CB 0.235 30.176 29.700 0.401 0.000 0.982 224 E HN 0.422 nan 8.360 nan 0.000 0.424 225 P HA -0.162 nan 4.420 nan 0.000 0.227 225 P C 0.920 178.313 177.300 0.155 0.000 1.161 225 P CA 1.166 64.323 63.100 0.094 0.000 0.788 225 P CB 0.109 31.830 31.700 0.034 0.000 0.822 226 H N -0.472 118.639 119.070 0.068 0.000 2.326 226 H HA -0.087 4.484 4.556 0.025 0.000 0.301 226 H C 1.466 176.898 175.328 0.175 0.000 1.081 226 H CA 1.448 57.527 56.048 0.052 0.000 1.334 226 H CB -1.417 28.305 29.762 -0.066 0.000 1.385 226 H HN 0.306 nan 8.280 nan 0.000 0.504 227 W N -0.070 120.896 121.300 -0.556 0.000 2.870 227 W HA 0.701 5.375 4.660 0.024 0.000 0.358 227 W C 0.474 176.833 176.519 -0.266 0.000 1.043 227 W CA -1.073 56.044 57.345 -0.379 0.000 1.692 227 W CB -0.729 28.466 29.460 -0.441 0.000 1.100 227 W HN 0.440 nan 8.180 nan 0.000 0.557 228 A N 1.294 124.099 122.820 -0.026 0.000 2.667 228 A HA -0.142 4.193 4.320 0.025 0.000 0.298 228 A C -0.406 176.943 177.584 -0.391 0.000 1.483 228 A CA 1.444 53.381 52.037 -0.167 0.000 0.738 228 A CB -2.391 16.539 19.000 -0.117 0.000 1.067 228 A HN 0.466 nan 8.150 nan 0.000 0.451 229 I N 0.395 120.582 120.570 -0.639 0.000 2.769 229 I HA 0.550 4.735 4.170 0.025 0.000 0.298 229 I C -2.460 173.342 176.117 -0.526 0.000 1.128 229 I CA -2.450 58.387 61.300 -0.772 0.000 1.031 229 I CB 2.969 40.000 38.000 -1.615 0.000 1.235 229 I HN 0.208 nan 8.210 nan 0.000 0.423 230 P HA 0.289 nan 4.420 nan 0.000 0.290 230 P C -1.549 175.582 177.300 -0.281 0.000 1.283 230 P CA -0.790 62.089 63.100 -0.370 0.000 0.869 230 P CB 1.550 33.108 31.700 -0.237 0.000 1.100 231 Q N 0.852 120.534 119.800 -0.197 0.000 2.286 231 Q HA 0.477 4.832 4.340 0.025 0.000 0.257 231 Q C 1.111 177.069 176.000 -0.071 0.000 0.941 231 Q CA 1.100 56.825 55.803 -0.130 0.000 0.912 231 Q CB -0.339 28.334 28.738 -0.109 0.000 1.192 231 Q HN 0.828 nan 8.270 nan 0.000 0.410 232 G N 3.296 112.064 108.800 -0.053 0.000 2.160 232 G HA2 -0.276 3.699 3.960 0.025 0.000 0.251 232 G HA3 -0.276 3.699 3.960 0.025 0.000 0.251 232 G C -0.426 174.485 174.900 0.017 0.000 1.008 232 G CA 0.399 45.495 45.100 -0.006 0.000 0.724 232 G HN 0.545 nan 8.290 nan 0.000 0.514 233 Q N -0.845 118.947 119.800 -0.012 0.000 2.268 233 Q HA 0.515 4.870 4.340 0.025 0.000 0.266 233 Q C 0.717 176.720 176.000 0.004 0.000 1.006 233 Q CA -0.066 55.757 55.803 0.032 0.000 0.824 233 Q CB 1.757 30.554 28.738 0.099 0.000 1.306 233 Q HN 0.463 nan 8.270 nan 0.000 0.424 234 S N -0.288 115.309 115.700 -0.172 0.000 2.593 234 S HA 0.158 4.643 4.470 0.025 0.000 0.217 234 S C 0.970 175.494 174.600 -0.126 0.000 0.966 234 S CA 0.054 57.915 58.200 -0.565 0.000 0.914 234 S CB 0.278 62.593 63.200 -1.475 0.000 0.776 234 S HN 0.596 nan 8.310 nan 0.000 0.523 235 A N 2.361 125.305 122.820 0.206 0.000 3.026 235 A HA 0.516 4.851 4.320 0.025 0.000 0.272 235 A C 0.139 177.961 177.584 0.397 0.000 1.782 235 A CA -0.550 51.701 52.037 0.358 0.000 1.451 235 A CB -1.263 17.890 19.000 0.254 0.000 1.081 235 A HN 0.901 nan 8.150 nan 0.000 0.611 236 H N -3.535 115.731 119.070 0.326 0.000 3.003 236 H HA 0.468 5.039 4.556 0.025 0.000 0.327 236 H C -0.251 175.278 175.328 0.336 0.000 1.353 236 H CA -0.700 55.505 56.048 0.263 0.000 1.142 236 H CB 0.171 30.044 29.762 0.185 0.000 1.864 236 H HN 0.070 nan 8.280 nan 0.000 0.529 237 D N 0.152 120.716 120.400 0.272 0.000 2.116 237 D HA -0.204 4.451 4.640 0.025 0.000 0.193 237 D C 2.102 178.457 176.300 0.093 0.000 0.998 237 D CA 3.143 57.242 54.000 0.164 0.000 0.836 237 D CB -0.330 40.548 40.800 0.130 0.000 0.951 237 D HN 0.775 nan 8.370 nan 0.000 0.449 238 T N -1.682 112.915 114.554 0.072 0.000 2.821 238 T HA -0.183 4.182 4.350 0.025 0.000 0.267 238 T C 1.900 176.537 174.700 -0.105 0.000 1.046 238 T CA 0.630 62.746 62.100 0.025 0.000 1.139 238 T CB -0.688 68.245 68.868 0.109 0.000 0.871 238 T HN 0.161 nan 8.240 nan 0.000 0.454 239 F N 0.732 120.367 119.950 -0.525 0.000 2.075 239 F HA 0.096 4.638 4.527 0.025 0.000 0.297 239 F C 1.814 177.349 175.800 -0.441 0.000 1.113 239 F CA 0.697 58.324 58.000 -0.622 0.000 1.218 239 F CB -0.551 37.892 39.000 -0.928 0.000 0.984 239 F HN 0.142 nan 8.300 nan 0.000 0.472 240 W N 0.594 121.831 121.300 -0.104 0.000 2.467 240 W HA -0.055 4.620 4.660 0.025 0.000 0.275 240 W C 2.262 178.700 176.519 -0.136 0.000 1.239 240 W CA 0.958 58.224 57.345 -0.132 0.000 1.266 240 W CB -0.610 28.863 29.460 0.020 0.000 1.112 240 W HN 0.064 nan 8.180 nan 0.000 0.576 241 D N -0.429 120.015 120.400 0.072 0.000 2.092 241 D HA -0.308 4.347 4.640 0.025 0.000 0.193 241 D C 1.881 178.186 176.300 0.009 0.000 0.994 241 D CA 1.603 55.626 54.000 0.039 0.000 0.828 241 D CB -0.545 40.286 40.800 0.052 0.000 0.963 241 D HN 0.199 nan 8.370 nan 0.000 0.450 242 Y N 0.401 120.593 120.300 -0.179 0.000 2.145 242 Y HA -0.193 4.372 4.550 0.025 0.000 0.286 242 Y C 2.288 178.052 175.900 -0.227 0.000 1.145 242 Y CA 1.518 59.500 58.100 -0.196 0.000 1.148 242 Y CB -0.436 37.875 38.460 -0.247 0.000 0.981 242 Y HN -0.107 nan 8.280 nan 0.000 0.507 243 V N 0.225 120.022 119.914 -0.196 0.000 2.324 243 V HA -0.359 3.776 4.120 0.025 0.000 0.250 243 V C 2.615 178.654 176.094 -0.092 0.000 1.060 243 V CA 2.269 64.439 62.300 -0.216 0.000 1.042 243 V CB -1.297 30.287 31.823 -0.399 0.000 0.650 243 V HN 0.672 nan 8.190 nan 0.000 0.450 244 S N -0.296 115.393 115.700 -0.019 0.000 2.419 244 S HA -0.068 4.417 4.470 0.025 0.000 0.233 244 S C 1.715 176.286 174.600 -0.048 0.000 1.016 244 S CA 1.398 59.611 58.200 0.021 0.000 0.974 244 S CB -0.434 62.805 63.200 0.065 0.000 0.786 244 S HN 0.564 nan 8.310 nan 0.000 0.492 245 L N -0.054 121.091 121.223 -0.129 0.000 2.585 245 L HA 0.324 4.679 4.340 0.025 0.000 0.226 245 L C 0.518 177.215 176.870 -0.287 0.000 1.113 245 L CA 0.132 54.867 54.840 -0.175 0.000 0.876 245 L CB 0.068 42.024 42.059 -0.172 0.000 1.072 245 L HN 0.259 nan 8.230 nan 0.000 0.468 246 Q N 0.397 119.982 119.800 -0.359 0.000 3.090 246 Q HA 0.231 4.585 4.340 0.025 0.000 0.241 246 Q C -1.966 173.806 176.000 -0.380 0.000 0.958 246 Q CA -1.405 54.135 55.803 -0.439 0.000 0.715 246 Q CB 1.597 29.938 28.738 -0.662 0.000 1.298 246 Q HN -0.004 nan 8.270 nan 0.000 0.468 247 P HA -0.211 nan 4.420 nan 0.000 0.225 247 P C 0.984 177.981 177.300 -0.505 0.000 1.148 247 P CA 1.062 63.908 63.100 -0.425 0.000 0.779 247 P CB 0.270 31.695 31.700 -0.459 0.000 0.780 248 E N 0.745 120.524 120.200 -0.701 0.000 2.209 248 E HA -0.180 4.185 4.350 0.025 0.000 0.196 248 E C 1.487 178.026 176.600 -0.102 0.000 0.993 248 E CA 1.846 58.061 56.400 -0.309 0.000 0.819 248 E CB -1.345 28.241 29.700 -0.190 0.000 0.745 248 E HN 0.270 nan 8.360 nan 0.000 0.477 249 T N -0.754 113.743 114.554 -0.096 0.000 3.072 249 T HA 0.020 4.385 4.350 0.025 0.000 0.266 249 T C 1.862 176.620 174.700 0.098 0.000 1.127 249 T CA 0.409 62.522 62.100 0.023 0.000 1.107 249 T CB -0.281 68.621 68.868 0.057 0.000 0.910 249 T HN 0.151 nan 8.240 nan 0.000 0.513 250 L N -0.183 121.101 121.223 0.102 0.000 2.141 250 L HA 0.002 4.356 4.340 0.025 0.000 0.209 250 L C 2.841 179.876 176.870 0.274 0.000 1.094 250 L CA 1.482 56.458 54.840 0.226 0.000 0.763 250 L CB -0.716 41.495 42.059 0.252 0.000 0.908 250 L HN 0.456 nan 8.230 nan 0.000 0.437 251 H N 0.095 119.207 119.070 0.071 0.000 2.293 251 H HA -0.205 4.366 4.556 0.025 0.000 0.300 251 H C 2.116 177.437 175.328 -0.012 0.000 1.082 251 H CA 1.824 57.910 56.048 0.063 0.000 1.308 251 H CB 0.242 30.009 29.762 0.008 0.000 1.375 251 H HN 0.360 nan 8.280 nan 0.000 0.495 252 N N -0.107 118.391 118.700 -0.337 0.000 2.309 252 N HA -0.122 4.633 4.740 0.025 0.000 0.182 252 N C 1.942 177.261 175.510 -0.319 0.000 1.018 252 N CA 0.655 53.286 53.050 -0.699 0.000 0.876 252 N CB 0.296 37.891 38.487 -1.488 0.000 0.972 252 N HN 0.115 nan 8.380 nan 0.000 0.434 253 V N 1.745 121.702 119.914 0.072 0.000 2.287 253 V HA -0.276 3.859 4.120 0.025 0.000 0.248 253 V C 2.528 178.757 176.094 0.225 0.000 1.053 253 V CA 1.320 63.816 62.300 0.326 0.000 1.027 253 V CB -0.393 31.673 31.823 0.405 0.000 0.646 253 V HN 0.404 nan 8.190 nan 0.000 0.447 254 M N -1.548 118.223 119.600 0.284 0.000 2.082 254 M HA -0.234 4.261 4.480 0.025 0.000 0.258 254 M C 2.093 178.390 176.300 -0.005 0.000 1.069 254 M CA 2.006 57.473 55.300 0.278 0.000 1.102 254 M CB -1.300 31.478 32.600 0.298 0.000 1.336 254 M HN 0.470 nan 8.290 nan 0.000 0.404 255 W N 0.520 121.539 121.300 -0.469 0.000 2.335 255 W HA -0.150 4.525 4.660 0.025 0.000 0.311 255 W C 2.823 179.279 176.519 -0.105 0.000 1.213 255 W CA 2.048 59.104 57.345 -0.481 0.000 1.274 255 W CB -1.056 28.058 29.460 -0.577 0.000 1.148 255 W HN 0.312 nan 8.180 nan 0.000 0.498 256 A N -0.967 121.941 122.820 0.147 0.000 1.969 256 A HA -0.152 4.183 4.320 0.025 0.000 0.218 256 A C 1.919 179.562 177.584 0.098 0.000 1.169 256 A CA 1.512 53.643 52.037 0.156 0.000 0.635 256 A CB -0.525 18.606 19.000 0.218 0.000 0.810 256 A HN 0.103 nan 8.150 nan 0.000 0.445 257 M N 0.613 120.229 119.600 0.026 0.000 2.506 257 M HA 0.028 4.523 4.480 0.025 0.000 0.260 257 M C 1.457 177.811 176.300 0.089 0.000 1.104 257 M CA 0.702 55.955 55.300 -0.078 0.000 1.112 257 M CB -1.292 30.998 32.600 -0.515 0.000 1.401 257 M HN 0.534 nan 8.290 nan 0.000 0.473 258 S N 0.250 116.061 115.700 0.185 0.000 2.617 258 S HA 0.078 4.563 4.470 0.025 0.000 0.259 258 S C 0.710 175.450 174.600 0.234 0.000 1.301 258 S CA -0.422 57.931 58.200 0.254 0.000 0.984 258 S CB 0.895 64.297 63.200 0.336 0.000 0.954 258 S HN 0.198 nan 8.310 nan 0.000 0.572 259 D N 0.237 120.793 120.400 0.260 0.000 2.392 259 D HA 0.023 4.678 4.640 0.025 0.000 0.228 259 D C 1.823 178.275 176.300 0.253 0.000 1.003 259 D CA 0.257 54.431 54.000 0.289 0.000 0.917 259 D CB -0.160 40.881 40.800 0.401 0.000 0.890 259 D HN 0.384 nan 8.370 nan 0.000 0.532 260 R N 0.235 120.876 120.500 0.235 0.000 2.139 260 R HA -0.085 4.270 4.340 0.025 0.000 0.243 260 R C 2.048 178.512 176.300 0.272 0.000 1.145 260 R CA 1.107 57.372 56.100 0.274 0.000 0.976 260 R CB -0.883 29.642 30.300 0.375 0.000 0.866 260 R HN 0.194 nan 8.270 nan 0.000 0.449 261 G N 1.159 110.107 108.800 0.247 0.000 2.848 261 G HA2 0.010 3.985 3.960 0.025 0.000 0.208 261 G HA3 0.010 3.985 3.960 0.025 0.000 0.208 261 G C 0.989 176.035 174.900 0.245 0.000 1.152 261 G CA 0.058 45.295 45.100 0.229 0.000 0.789 261 G HN 0.422 nan 8.290 nan 0.000 0.531 262 I N -2.207 118.518 120.570 0.258 0.000 2.926 262 I HA 0.356 4.541 4.170 0.025 0.000 0.295 262 I C -2.851 173.424 176.117 0.264 0.000 1.463 262 I CA -2.619 58.839 61.300 0.264 0.000 0.892 262 I CB 1.741 39.900 38.000 0.266 0.000 1.874 262 I HN -0.270 nan 8.210 nan 0.000 0.620 263 P HA 0.052 nan 4.420 nan 0.000 0.269 263 P C 0.608 178.056 177.300 0.246 0.000 1.209 263 P CA -0.123 63.093 63.100 0.192 0.000 0.776 263 P CB 1.162 32.904 31.700 0.070 0.000 0.876 264 R N 2.058 122.684 120.500 0.209 0.000 2.096 264 R HA -0.026 4.329 4.340 0.025 0.000 0.235 264 R C 0.432 176.876 176.300 0.241 0.000 1.127 264 R CA 1.558 57.823 56.100 0.275 0.000 0.968 264 R CB -0.468 29.959 30.300 0.210 0.000 0.861 264 R HN 0.574 nan 8.270 nan 0.000 0.440 265 S N -3.153 112.481 115.700 -0.109 0.000 2.565 265 S HA 0.197 4.682 4.470 0.025 0.000 0.274 265 S C -0.467 173.816 174.600 -0.529 0.000 1.144 265 S CA -0.836 57.123 58.200 -0.401 0.000 0.849 265 S CB -0.013 63.096 63.200 -0.152 0.000 1.103 265 S HN 0.100 nan 8.310 nan 0.000 0.455 266 Y N 2.289 122.209 120.300 -0.633 0.000 2.497 266 Y HA 0.099 4.664 4.550 0.025 0.000 0.292 266 Y C 2.306 177.833 175.900 -0.622 0.000 1.137 266 Y CA 0.925 58.518 58.100 -0.844 0.000 1.285 266 Y CB -0.279 37.267 38.460 -1.524 0.000 0.991 266 Y HN 0.560 nan 8.280 nan 0.000 0.556 267 R N -0.545 119.817 120.500 -0.230 0.000 2.235 267 R HA -0.032 4.323 4.340 0.025 0.000 0.213 267 R C 1.037 177.302 176.300 -0.059 0.000 1.059 267 R CA 1.504 57.533 56.100 -0.119 0.000 0.997 267 R CB -0.397 29.824 30.300 -0.132 0.000 0.884 267 R HN 0.313 nan 8.270 nan 0.000 0.462 268 T N -1.773 112.758 114.554 -0.038 0.000 3.355 268 T HA 0.355 4.720 4.350 0.025 0.000 0.276 268 T C 0.152 174.895 174.700 0.071 0.000 1.003 268 T CA -0.707 61.402 62.100 0.016 0.000 0.943 268 T CB -0.078 68.785 68.868 -0.008 0.000 1.158 268 T HN 0.082 nan 8.240 nan 0.000 0.513 269 M N -1.102 118.579 119.600 0.134 0.000 2.644 269 M HA 0.738 5.233 4.480 0.025 0.000 0.304 269 M C -0.973 175.506 176.300 0.297 0.000 1.215 269 M CA -0.877 54.544 55.300 0.201 0.000 0.871 269 M CB 2.125 34.840 32.600 0.192 0.000 1.740 269 M HN -0.148 nan 8.290 nan 0.000 0.464 270 E N 0.463 120.838 120.200 0.291 0.000 2.345 270 E HA 0.610 4.975 4.350 0.025 0.000 0.259 270 E C -0.253 176.431 176.600 0.141 0.000 1.117 270 E CA -0.348 56.160 56.400 0.180 0.000 0.913 270 E CB 1.519 31.253 29.700 0.057 0.000 1.057 270 E HN 0.855 nan 8.360 nan 0.000 0.432 271 G N 0.826 109.554 108.800 -0.120 0.000 2.481 271 G HA2 0.631 4.606 3.960 0.025 0.000 0.315 271 G HA3 0.631 4.606 3.960 0.025 0.000 0.315 271 G C -1.441 173.069 174.900 -0.650 0.000 1.231 271 G CA -0.452 44.555 45.100 -0.154 0.000 0.968 271 G HN 0.298 nan 8.290 nan 0.000 0.482 272 F N -0.532 119.368 119.950 -0.083 0.000 2.619 272 F HA 0.509 5.050 4.527 0.025 0.000 0.308 272 F C 1.012 176.720 175.800 -0.154 0.000 1.097 272 F CA -0.631 57.239 58.000 -0.217 0.000 0.953 272 F CB 2.618 41.438 39.000 -0.300 0.000 1.287 272 F HN 0.595 nan 8.300 nan 0.000 0.446 273 G N -0.555 108.304 108.800 0.099 0.000 2.985 273 G HA2 0.234 4.209 3.960 0.025 0.000 0.209 273 G HA3 0.234 4.209 3.960 0.025 0.000 0.209 273 G C 0.625 175.610 174.900 0.141 0.000 1.165 273 G CA 0.670 45.879 45.100 0.183 0.000 0.776 273 G HN 0.972 nan 8.290 nan 0.000 0.541 274 C N -1.365 117.906 119.300 -0.048 0.000 5.886 274 C HA -0.154 4.320 4.460 0.025 0.000 0.328 274 C C 0.771 175.489 174.990 -0.453 0.000 2.430 274 C CA 0.667 59.481 59.018 -0.340 0.000 2.194 274 C CB -1.752 25.662 27.740 -0.544 0.000 3.234 274 C HN 0.577 nan 8.230 nan 0.000 0.262 275 H N 0.469 119.566 119.070 0.045 0.000 2.616 275 H HA 0.460 5.031 4.556 0.025 0.000 0.353 275 H C -0.061 175.227 175.328 -0.066 0.000 1.170 275 H CA 0.217 56.208 56.048 -0.096 0.000 1.212 275 H CB 0.736 30.296 29.762 -0.337 0.000 1.653 275 H HN 0.389 nan 8.280 nan 0.000 0.537 276 T N 3.083 117.630 114.554 -0.012 0.000 2.853 276 T HA 0.170 4.535 4.350 0.025 0.000 0.298 276 T C 0.224 174.864 174.700 -0.100 0.000 0.978 276 T CA 0.312 62.389 62.100 -0.038 0.000 1.152 276 T CB -0.339 68.462 68.868 -0.111 0.000 0.914 276 T HN 0.213 nan 8.240 nan 0.000 0.539 277 F N 1.221 121.135 119.950 -0.059 0.000 2.629 277 F HA 0.653 5.194 4.527 0.025 0.000 0.386 277 F C 1.073 176.827 175.800 -0.078 0.000 1.135 277 F CA -1.338 56.649 58.000 -0.021 0.000 1.116 277 F CB 1.358 40.334 39.000 -0.039 0.000 1.426 277 F HN 0.206 nan 8.300 nan 0.000 0.501 278 R N 0.506 121.064 120.500 0.097 0.000 2.740 278 R HA 0.640 4.995 4.340 0.025 0.000 0.282 278 R C -1.601 174.583 176.300 -0.193 0.000 0.969 278 R CA -0.877 55.140 56.100 -0.138 0.000 0.918 278 R CB 1.933 32.080 30.300 -0.254 0.000 1.175 278 R HN 0.419 nan 8.270 nan 0.000 0.464 279 L N 3.366 124.423 121.223 -0.276 0.000 2.325 279 L HA 0.530 4.885 4.340 0.025 0.000 0.279 279 L C -0.389 176.318 176.870 -0.271 0.000 1.054 279 L CA -0.896 53.788 54.840 -0.259 0.000 0.804 279 L CB 1.129 43.039 42.059 -0.248 0.000 1.200 279 L HN 0.346 nan 8.230 nan 0.000 0.436 280 I N 2.477 122.912 120.570 -0.225 0.000 2.447 280 I HA 0.275 4.460 4.170 0.025 0.000 0.287 280 I C -0.310 175.716 176.117 -0.151 0.000 1.023 280 I CA -0.724 60.449 61.300 -0.213 0.000 1.083 280 I CB 1.384 39.266 38.000 -0.195 0.000 1.245 280 I HN 0.640 nan 8.210 nan 0.000 0.434 281 N N 4.823 123.447 118.700 -0.126 0.000 2.448 281 N HA 0.388 5.143 4.740 0.025 0.000 0.274 281 N C 0.873 176.340 175.510 -0.071 0.000 1.239 281 N CA -0.314 52.682 53.050 -0.090 0.000 0.982 281 N CB 0.619 39.062 38.487 -0.073 0.000 1.199 281 N HN 0.528 nan 8.380 nan 0.000 0.576 282 A N -0.446 122.341 122.820 -0.054 0.000 2.019 282 A HA -0.134 4.201 4.320 0.025 0.000 0.219 282 A C 1.487 179.050 177.584 -0.036 0.000 1.164 282 A CA 1.416 53.427 52.037 -0.043 0.000 0.644 282 A CB -0.776 18.204 19.000 -0.032 0.000 0.805 282 A HN 0.758 nan 8.150 nan 0.000 0.449 283 E N -1.426 118.754 120.200 -0.033 0.000 2.502 283 E HA 0.283 4.648 4.350 0.025 0.000 0.194 283 E C 1.247 177.836 176.600 -0.018 0.000 1.062 283 E CA 0.765 57.151 56.400 -0.024 0.000 0.867 283 E CB -0.148 29.539 29.700 -0.022 0.000 0.888 283 E HN 0.744 nan 8.360 nan 0.000 0.510 284 G N 1.116 109.902 108.800 -0.024 0.000 2.157 284 G HA2 -0.366 3.609 3.960 0.025 0.000 0.248 284 G HA3 -0.366 3.609 3.960 0.025 0.000 0.248 284 G C 0.302 175.218 174.900 0.027 0.000 0.979 284 G CA 0.295 45.398 45.100 0.006 0.000 0.650 284 G HN 0.282 nan 8.290 nan 0.000 0.529 285 K N 0.825 121.204 120.400 -0.035 0.000 2.350 285 K HA 0.637 4.972 4.320 0.025 0.000 0.279 285 K C 0.611 177.081 176.600 -0.216 0.000 1.027 285 K CA 0.260 56.501 56.287 -0.076 0.000 0.969 285 K CB 0.493 32.947 32.500 -0.077 0.000 0.954 285 K HN 0.603 nan 8.250 nan 0.000 0.474 286 A N 3.244 125.827 122.820 -0.395 0.000 2.312 286 A HA 0.467 4.802 4.320 0.025 0.000 0.326 286 A C -0.827 176.438 177.584 -0.531 0.000 1.172 286 A CA -0.543 51.095 52.037 -0.664 0.000 0.821 286 A CB 1.309 19.455 19.000 -1.423 0.000 1.166 286 A HN 0.713 nan 8.150 nan 0.000 0.493 287 T N 2.115 116.385 114.554 -0.474 0.000 2.848 287 T HA 0.527 4.892 4.350 0.025 0.000 0.285 287 T C -0.714 173.756 174.700 -0.384 0.000 0.995 287 T CA -0.085 61.795 62.100 -0.366 0.000 0.970 287 T CB 0.437 69.185 68.868 -0.199 0.000 0.976 287 T HN 0.341 nan 8.240 nan 0.000 0.441 288 F N 2.142 121.995 119.950 -0.162 0.000 2.471 288 F HA 0.512 5.053 4.527 0.025 0.000 0.353 288 F C 0.593 176.273 175.800 -0.200 0.000 1.113 288 F CA -0.378 57.522 58.000 -0.166 0.000 1.262 288 F CB 0.643 39.566 39.000 -0.129 0.000 1.146 288 F HN 0.196 nan 8.300 nan 0.000 0.578 289 V N 4.809 124.676 119.914 -0.079 0.000 2.841 289 V HA 0.610 4.745 4.120 0.025 0.000 0.310 289 V C -0.956 174.912 176.094 -0.377 0.000 1.090 289 V CA -0.773 61.332 62.300 -0.324 0.000 0.930 289 V CB 2.079 33.482 31.823 -0.701 0.000 1.014 289 V HN 0.781 nan 8.190 nan 0.000 0.425 290 R N 4.534 124.861 120.500 -0.288 0.000 2.562 290 R HA 0.571 4.926 4.340 0.025 0.000 0.298 290 R C -1.642 174.562 176.300 -0.160 0.000 0.961 290 R CA -0.466 55.494 56.100 -0.233 0.000 0.881 290 R CB 2.076 32.368 30.300 -0.014 0.000 1.159 290 R HN 0.611 nan 8.270 nan 0.000 0.450 291 F N 2.015 122.008 119.950 0.071 0.000 2.399 291 F HA 0.375 4.917 4.527 0.025 0.000 0.334 291 F C 0.935 176.675 175.800 -0.100 0.000 1.097 291 F CA -0.157 57.858 58.000 0.024 0.000 1.076 291 F CB 0.938 39.847 39.000 -0.150 0.000 1.162 291 F HN 0.198 nan 8.300 nan 0.000 0.495 292 H N 0.891 119.969 119.070 0.013 0.000 2.768 292 H HA 0.268 4.839 4.556 0.025 0.000 0.371 292 H C -1.541 173.561 175.328 -0.377 0.000 1.151 292 H CA -0.994 54.948 56.048 -0.176 0.000 1.165 292 H CB 2.014 31.755 29.762 -0.035 0.000 1.722 292 H HN 0.669 nan 8.280 nan 0.000 0.543 293 W N 2.098 123.287 121.300 -0.184 0.000 2.600 293 W HA 0.320 4.995 4.660 0.025 0.000 0.325 293 W C -0.128 176.425 176.519 0.056 0.000 1.034 293 W CA -0.792 56.513 57.345 -0.067 0.000 1.226 293 W CB 1.786 31.056 29.460 -0.316 0.000 1.379 293 W HN 0.313 nan 8.180 nan 0.000 0.466 294 K N 5.642 126.315 120.400 0.454 0.000 2.213 294 K HA 0.396 4.731 4.320 0.025 0.000 0.270 294 K C -2.384 174.450 176.600 0.390 0.000 1.002 294 K CA -1.846 54.642 56.287 0.335 0.000 0.868 294 K CB 1.379 34.028 32.500 0.247 0.000 1.093 294 K HN 0.048 nan 8.250 nan 0.000 0.454 295 P HA 0.057 nan 4.420 nan 0.000 0.281 295 P C 0.263 177.578 177.300 0.024 0.000 1.286 295 P CA -0.113 63.073 63.100 0.144 0.000 0.772 295 P CB 0.812 32.612 31.700 0.166 0.000 0.862 296 L N 2.741 123.918 121.223 -0.077 0.000 2.465 296 L HA -0.058 4.297 4.340 0.025 0.000 0.224 296 L C 2.100 178.952 176.870 -0.031 0.000 1.145 296 L CA 0.963 55.792 54.840 -0.019 0.000 0.834 296 L CB -0.514 41.541 42.059 -0.006 0.000 0.944 296 L HN 0.353 nan 8.230 nan 0.000 0.451 297 A N -0.093 122.683 122.820 -0.073 0.000 2.275 297 A HA 0.461 4.796 4.320 0.025 0.000 0.212 297 A C 1.213 178.797 177.584 -0.000 0.000 1.201 297 A CA 0.545 52.556 52.037 -0.043 0.000 0.843 297 A CB -0.279 18.677 19.000 -0.074 0.000 0.873 297 A HN 0.428 nan 8.150 nan 0.000 0.492 298 G N -0.453 108.361 108.800 0.024 0.000 2.756 298 G HA2 -0.132 3.843 3.960 0.025 0.000 0.678 298 G HA3 -0.132 3.843 3.960 0.025 0.000 0.678 298 G C -0.648 174.286 174.900 0.057 0.000 1.349 298 G CA -0.447 44.686 45.100 0.055 0.000 0.847 298 G HN 0.462 nan 8.290 nan 0.000 0.548 299 K N 0.056 120.496 120.400 0.067 0.000 2.159 299 K HA 0.755 5.090 4.320 0.025 0.000 0.266 299 K C 0.148 176.756 176.600 0.012 0.000 0.975 299 K CA 0.105 56.418 56.287 0.044 0.000 0.865 299 K CB 1.909 34.420 32.500 0.020 0.000 1.087 299 K HN 1.490 nan 8.250 nan 0.000 0.446 300 A N 1.573 124.387 122.820 -0.010 0.000 2.566 300 A HA 0.603 4.938 4.320 0.025 0.000 0.297 300 A C -1.188 176.446 177.584 0.085 0.000 1.059 300 A CA -0.660 51.328 52.037 -0.082 0.000 0.691 300 A CB 1.749 20.508 19.000 -0.401 0.000 1.282 300 A HN 0.507 nan 8.150 nan 0.000 0.401 301 S N 0.467 116.375 115.700 0.347 0.000 2.632 301 S HA 0.756 5.241 4.470 0.025 0.000 0.289 301 S C -0.077 174.845 174.600 0.536 0.000 1.115 301 S CA -0.608 57.836 58.200 0.407 0.000 0.889 301 S CB 1.201 64.628 63.200 0.377 0.000 1.116 301 S HN 0.651 nan 8.310 nan 0.000 0.486 302 L N 1.304 122.734 121.223 0.346 0.000 2.505 302 L HA 0.548 4.903 4.340 0.025 0.000 0.226 302 L C 0.161 177.162 176.870 0.217 0.000 1.211 302 L CA -0.769 54.199 54.840 0.214 0.000 0.828 302 L CB 0.096 42.187 42.059 0.054 0.000 1.331 302 L HN 0.495 nan 8.230 nan 0.000 0.513 303 V N -3.168 116.770 119.914 0.040 0.000 2.975 303 V HA 0.193 4.327 4.120 0.025 0.000 0.318 303 V C 0.653 176.698 176.094 -0.082 0.000 1.077 303 V CA -0.777 61.520 62.300 -0.006 0.000 1.000 303 V CB 1.634 33.419 31.823 -0.062 0.000 1.066 303 V HN 0.932 nan 8.190 nan 0.000 0.452 304 W N 1.514 122.686 121.300 -0.213 0.000 2.335 304 W HA -0.200 4.475 4.660 0.024 0.000 0.311 304 W C 1.804 178.165 176.519 -0.263 0.000 1.213 304 W CA 2.528 59.739 57.345 -0.224 0.000 1.274 304 W CB -0.113 29.199 29.460 -0.246 0.000 1.148 304 W HN 1.000 nan 8.180 nan 0.000 0.498 305 D N 0.251 120.371 120.400 -0.466 0.000 2.178 305 D HA -0.277 4.378 4.640 0.025 0.000 0.201 305 D C 2.125 178.058 176.300 -0.611 0.000 0.980 305 D CA 1.973 55.653 54.000 -0.534 0.000 0.842 305 D CB -0.427 40.312 40.800 -0.102 0.000 0.948 305 D HN 0.366 nan 8.370 nan 0.000 0.472 306 E N -0.418 119.308 120.200 -0.790 0.000 2.047 306 E HA -0.187 4.178 4.350 0.025 0.000 0.191 306 E C 2.012 178.258 176.600 -0.590 0.000 0.987 306 E CA 1.019 56.888 56.400 -0.887 0.000 0.799 306 E CB -0.201 28.861 29.700 -1.062 0.000 0.752 306 E HN 0.313 nan 8.360 nan 0.000 0.449 307 A N 1.141 123.635 122.820 -0.543 0.000 1.902 307 A HA -0.246 4.088 4.320 0.025 0.000 0.217 307 A C 2.177 179.418 177.584 -0.571 0.000 1.181 307 A CA 1.738 53.506 52.037 -0.448 0.000 0.623 307 A CB -0.670 18.195 19.000 -0.226 0.000 0.818 307 A HN 0.424 nan 8.150 nan 0.000 0.443 308 Q N -0.495 118.732 119.800 -0.954 0.000 2.050 308 Q HA -0.192 4.163 4.340 0.025 0.000 0.202 308 Q C 2.170 177.873 176.000 -0.495 0.000 0.980 308 Q CA 1.856 57.114 55.803 -0.907 0.000 0.840 308 Q CB -0.153 27.750 28.738 -1.392 0.000 0.898 308 Q HN 0.656 nan 8.270 nan 0.000 0.424 309 K N 0.014 120.147 120.400 -0.445 0.000 2.148 309 K HA -0.146 4.189 4.320 0.025 0.000 0.204 309 K C 2.006 178.460 176.600 -0.243 0.000 1.050 309 K CA 0.679 56.805 56.287 -0.269 0.000 0.942 309 K CB -0.010 32.376 32.500 -0.189 0.000 0.724 309 K HN 0.176 nan 8.250 nan 0.000 0.446 310 L N 1.175 122.211 121.223 -0.312 0.000 2.217 310 L HA -0.094 4.261 4.340 0.025 0.000 0.211 310 L C 2.115 178.847 176.870 -0.231 0.000 1.107 310 L CA 1.942 56.598 54.840 -0.307 0.000 0.783 310 L CB -0.756 41.032 42.059 -0.451 0.000 0.919 310 L HN 0.274 nan 8.230 nan 0.000 0.442 311 T N -4.006 110.416 114.554 -0.221 0.000 2.803 311 T HA -0.092 4.273 4.350 0.025 0.000 0.269 311 T C 1.889 176.525 174.700 -0.107 0.000 1.052 311 T CA 1.061 63.075 62.100 -0.143 0.000 1.136 311 T CB -1.115 67.681 68.868 -0.118 0.000 0.864 311 T HN 0.376 nan 8.240 nan 0.000 0.467 312 G N 1.288 110.018 108.800 -0.118 0.000 2.404 312 G HA2 -0.045 3.930 3.960 0.025 0.000 0.213 312 G HA3 -0.045 3.930 3.960 0.025 0.000 0.213 312 G C 1.922 176.778 174.900 -0.074 0.000 1.189 312 G CA -0.123 44.926 45.100 -0.086 0.000 0.796 312 G HN 0.315 nan 8.290 nan 0.000 0.532 313 R N 0.259 120.705 120.500 -0.090 0.000 2.090 313 R HA 0.038 4.393 4.340 0.025 0.000 0.228 313 R C -0.097 176.177 176.300 -0.044 0.000 1.110 313 R CA 0.831 56.892 56.100 -0.065 0.000 0.973 313 R CB -0.230 30.021 30.300 -0.081 0.000 0.869 313 R HN 0.336 nan 8.270 nan 0.000 0.440 314 D N -0.490 119.878 120.400 -0.053 0.000 2.411 314 D HA 0.140 4.795 4.640 0.025 0.000 0.239 314 D C -2.126 174.177 176.300 0.005 0.000 1.307 314 D CA -1.771 52.232 54.000 0.006 0.000 0.930 314 D CB 1.339 42.194 40.800 0.092 0.000 1.395 314 D HN -0.126 nan 8.370 nan 0.000 0.536 315 P HA 0.014 nan 4.420 nan 0.000 0.234 315 P C 0.014 177.319 177.300 0.009 0.000 1.167 315 P CA 0.575 63.663 63.100 -0.020 0.000 0.763 315 P CB 0.501 32.187 31.700 -0.024 0.000 0.835 316 D N -1.294 119.124 120.400 0.029 0.000 2.427 316 D HA 0.075 4.730 4.640 0.025 0.000 0.224 316 D C 1.121 177.458 176.300 0.062 0.000 1.157 316 D CA -0.432 53.590 54.000 0.037 0.000 0.828 316 D CB -0.538 40.262 40.800 -0.000 0.000 0.974 316 D HN 0.138 nan 8.370 nan 0.000 0.498 317 F N 1.017 120.906 119.950 -0.102 0.000 2.171 317 F HA -0.186 4.356 4.527 0.025 0.000 0.300 317 F C 1.992 177.760 175.800 -0.053 0.000 1.090 317 F CA 1.763 59.700 58.000 -0.106 0.000 1.293 317 F CB 0.124 39.011 39.000 -0.189 0.000 1.013 317 F HN 0.090 nan 8.300 nan 0.000 0.486 318 H N -1.106 117.889 119.070 -0.125 0.000 2.372 318 H HA -0.045 4.526 4.556 0.025 0.000 0.301 318 H C 2.378 177.611 175.328 -0.159 0.000 1.065 318 H CA 0.837 56.667 56.048 -0.362 0.000 1.364 318 H CB -0.134 29.231 29.762 -0.661 0.000 1.406 318 H HN 0.139 nan 8.280 nan 0.000 0.521 319 R N 1.299 121.905 120.500 0.178 0.000 2.096 319 R HA -0.179 4.176 4.340 0.025 0.000 0.240 319 R C 2.446 178.853 176.300 0.178 0.000 1.139 319 R CA 1.631 57.882 56.100 0.251 0.000 0.952 319 R CB -0.076 30.355 30.300 0.218 0.000 0.854 319 R HN 0.219 nan 8.270 nan 0.000 0.436 320 R N 0.247 120.770 120.500 0.038 0.000 2.066 320 R HA -0.142 4.213 4.340 0.025 0.000 0.232 320 R C 2.193 178.485 176.300 -0.013 0.000 1.131 320 R CA 1.671 57.771 56.100 0.001 0.000 0.955 320 R CB -0.256 30.006 30.300 -0.064 0.000 0.851 320 R HN 0.261 nan 8.270 nan 0.000 0.432 321 E N 0.662 120.742 120.200 -0.199 0.000 2.110 321 E HA -0.200 4.165 4.350 0.025 0.000 0.193 321 E C 1.997 178.565 176.600 -0.052 0.000 0.988 321 E CA 1.022 57.281 56.400 -0.235 0.000 0.804 321 E CB -0.061 29.320 29.700 -0.531 0.000 0.745 321 E HN 0.255 nan 8.360 nan 0.000 0.458 322 L N 0.895 122.134 121.223 0.028 0.000 1.994 322 L HA -0.157 4.197 4.340 0.025 0.000 0.208 322 L C 2.226 179.196 176.870 0.165 0.000 1.071 322 L CA 1.845 56.749 54.840 0.108 0.000 0.745 322 L CB -0.980 41.209 42.059 0.217 0.000 0.892 322 L HN 0.325 nan 8.230 nan 0.000 0.431 323 W N 0.904 122.239 121.300 0.058 0.000 2.355 323 W HA -0.208 4.466 4.660 0.025 0.000 0.309 323 W C 2.170 178.719 176.519 0.050 0.000 1.206 323 W CA 2.121 59.514 57.345 0.079 0.000 1.284 323 W CB -0.123 29.386 29.460 0.081 0.000 1.145 323 W HN 0.354 nan 8.180 nan 0.000 0.502 324 E N -0.088 120.283 120.200 0.284 0.000 2.208 324 E HA -0.103 4.262 4.350 0.025 0.000 0.193 324 E C 2.314 178.939 176.600 0.042 0.000 0.988 324 E CA 0.891 57.379 56.400 0.147 0.000 0.828 324 E CB -0.254 29.484 29.700 0.063 0.000 0.763 324 E HN 0.189 nan 8.360 nan 0.000 0.478 325 A N 1.198 124.041 122.820 0.039 0.000 1.898 325 A HA -0.130 4.205 4.320 0.025 0.000 0.216 325 A C 2.134 179.737 177.584 0.031 0.000 1.181 325 A CA 0.886 52.937 52.037 0.024 0.000 0.620 325 A CB -0.404 18.613 19.000 0.028 0.000 0.819 325 A HN 0.113 nan 8.150 nan 0.000 0.442 326 I N -0.437 120.172 120.570 0.065 0.000 2.252 326 I HA -0.212 3.973 4.170 0.025 0.000 0.245 326 I C 2.405 178.581 176.117 0.098 0.000 1.102 326 I CA 1.260 62.647 61.300 0.145 0.000 1.385 326 I CB -0.361 37.667 38.000 0.047 0.000 1.064 326 I HN 0.402 nan 8.210 nan 0.000 0.414 327 E N 0.851 121.063 120.200 0.019 0.000 2.204 327 E HA -0.194 4.171 4.350 0.025 0.000 0.195 327 E C 2.119 178.730 176.600 0.019 0.000 0.990 327 E CA 1.225 57.651 56.400 0.043 0.000 0.821 327 E CB -0.092 29.668 29.700 0.099 0.000 0.750 327 E HN 0.506 nan 8.360 nan 0.000 0.477 328 A N 0.057 122.863 122.820 -0.023 0.000 2.208 328 A HA 0.215 4.550 4.320 0.025 0.000 0.209 328 A C 1.796 179.300 177.584 -0.134 0.000 1.161 328 A CA 0.920 52.925 52.037 -0.054 0.000 0.782 328 A CB -0.124 18.835 19.000 -0.068 0.000 0.816 328 A HN 0.333 nan 8.150 nan 0.000 0.477 329 G N -0.340 108.276 108.800 -0.306 0.000 2.159 329 G HA2 -0.217 3.758 3.960 0.025 0.000 0.256 329 G HA3 -0.217 3.758 3.960 0.025 0.000 0.256 329 G C -0.181 174.195 174.900 -0.873 0.000 0.977 329 G CA 0.276 44.856 45.100 -0.866 0.000 0.652 329 G HN 0.465 nan 8.290 nan 0.000 0.531 330 D N 0.952 121.119 120.400 -0.389 0.000 2.801 330 D HA 0.266 4.921 4.640 0.025 0.000 0.232 330 D C 0.777 177.004 176.300 -0.122 0.000 1.128 330 D CA -0.092 53.782 54.000 -0.210 0.000 1.003 330 D CB -0.713 40.069 40.800 -0.031 0.000 1.110 330 D HN 0.430 nan 8.370 nan 0.000 0.477 331 F N 1.370 121.324 119.950 0.007 0.000 2.602 331 F HA 0.081 4.623 4.527 0.025 0.000 0.385 331 F C -1.351 174.421 175.800 -0.046 0.000 1.063 331 F CA -1.918 56.078 58.000 -0.007 0.000 1.233 331 F CB 0.010 39.018 39.000 0.013 0.000 1.067 331 F HN -0.079 nan 8.300 nan 0.000 0.564 332 P HA 0.005 nan 4.420 nan 0.000 0.262 332 P C -1.082 176.157 177.300 -0.102 0.000 1.199 332 P CA 0.446 63.529 63.100 -0.028 0.000 0.763 332 P CB 0.399 32.168 31.700 0.115 0.000 0.790 333 E N 2.501 122.500 120.200 -0.334 0.000 2.222 333 E HA 0.473 4.838 4.350 0.025 0.000 0.267 333 E C -1.036 175.271 176.600 -0.487 0.000 0.884 333 E CA -0.577 55.684 56.400 -0.231 0.000 0.764 333 E CB 1.461 31.119 29.700 -0.070 0.000 1.169 333 E HN 0.375 nan 8.360 nan 0.000 0.413 334 Y N 0.297 120.676 120.300 0.132 0.000 2.492 334 Y HA 0.247 4.812 4.550 0.025 0.000 0.346 334 Y C -0.296 175.845 175.900 0.402 0.000 0.997 334 Y CA -0.967 57.288 58.100 0.258 0.000 1.025 334 Y CB 2.044 40.624 38.460 0.200 0.000 1.263 334 Y HN 0.461 nan 8.280 nan 0.000 0.454 335 E N 2.563 123.101 120.200 0.564 0.000 2.156 335 E HA 0.390 4.755 4.350 0.025 0.000 0.279 335 E C -1.434 175.452 176.600 0.476 0.000 0.965 335 E CA -0.946 55.739 56.400 0.474 0.000 0.789 335 E CB 1.012 30.918 29.700 0.343 0.000 1.098 335 E HN 0.578 nan 8.360 nan 0.000 0.397 336 L N 4.212 125.625 121.223 0.317 0.000 2.416 336 L HA 0.465 4.820 4.340 0.025 0.000 0.272 336 L C -0.003 176.793 176.870 -0.124 0.000 1.161 336 L CA 0.731 55.454 54.840 -0.195 0.000 0.845 336 L CB 0.986 42.881 42.059 -0.273 0.000 1.119 336 L HN 0.591 nan 8.230 nan 0.000 0.464 337 G N 4.381 113.116 108.800 -0.108 0.000 2.612 337 G HA2 0.561 4.536 3.960 0.025 0.000 0.298 337 G HA3 0.561 4.536 3.960 0.025 0.000 0.298 337 G C -1.629 173.387 174.900 0.193 0.000 1.336 337 G CA -0.509 44.569 45.100 -0.038 0.000 0.953 337 G HN 0.446 nan 8.290 nan 0.000 0.482 338 F N 0.230 120.199 119.950 0.031 0.000 2.507 338 F HA 0.395 4.937 4.527 0.025 0.000 0.325 338 F C 0.378 176.175 175.800 -0.005 0.000 1.116 338 F CA -0.978 57.041 58.000 0.032 0.000 0.930 338 F CB 2.610 41.612 39.000 0.003 0.000 1.146 338 F HN 0.140 nan 8.300 nan 0.000 0.447 339 Q N 4.156 124.081 119.800 0.209 0.000 2.274 339 Q HA 0.492 4.847 4.340 0.025 0.000 0.256 339 Q C -1.042 175.002 176.000 0.074 0.000 0.927 339 Q CA -0.443 55.424 55.803 0.108 0.000 0.939 339 Q CB 2.070 30.875 28.738 0.111 0.000 1.201 339 Q HN 0.531 nan 8.270 nan 0.000 0.426 340 L N 4.505 125.778 121.223 0.083 0.000 2.322 340 L HA 0.585 4.940 4.340 0.025 0.000 0.281 340 L C -0.629 176.293 176.870 0.086 0.000 1.014 340 L CA -0.618 54.258 54.840 0.060 0.000 0.815 340 L CB 1.306 43.410 42.059 0.074 0.000 1.247 340 L HN 0.517 nan 8.230 nan 0.000 0.421 341 I N 4.416 125.053 120.570 0.111 0.000 2.447 341 I HA 0.369 4.554 4.170 0.025 0.000 0.287 341 I C -2.305 173.927 176.117 0.192 0.000 1.023 341 I CA -2.050 59.359 61.300 0.181 0.000 1.083 341 I CB 2.335 40.460 38.000 0.208 0.000 1.245 341 I HN 0.293 nan 8.210 nan 0.000 0.434 342 P HA 0.053 nan 4.420 nan 0.000 0.269 342 P C 0.624 177.990 177.300 0.110 0.000 1.209 342 P CA -0.123 63.012 63.100 0.059 0.000 0.776 342 P CB 0.818 32.547 31.700 0.049 0.000 0.876 343 E N 1.439 121.619 120.200 -0.034 0.000 2.114 343 E HA -0.298 4.067 4.350 0.025 0.000 0.199 343 E C 0.941 177.633 176.600 0.152 0.000 1.008 343 E CA 1.658 58.056 56.400 -0.004 0.000 0.810 343 E CB -0.014 29.609 29.700 -0.128 0.000 0.739 343 E HN 0.458 nan 8.360 nan 0.000 0.456 344 E N 0.363 120.622 120.200 0.099 0.000 2.409 344 E HA -0.128 4.237 4.350 0.025 0.000 0.198 344 E C 0.693 177.357 176.600 0.106 0.000 1.024 344 E CA 1.051 57.513 56.400 0.103 0.000 0.861 344 E CB 0.106 29.846 29.700 0.066 0.000 0.788 344 E HN 0.257 nan 8.360 nan 0.000 0.521 345 D N -0.124 120.343 120.400 0.112 0.000 2.368 345 D HA -0.008 4.647 4.640 0.025 0.000 0.218 345 D C 1.147 177.477 176.300 0.050 0.000 1.112 345 D CA 0.031 54.072 54.000 0.068 0.000 0.834 345 D CB 0.068 40.921 40.800 0.089 0.000 0.953 345 D HN 0.240 nan 8.370 nan 0.000 0.505 346 E N -0.185 120.007 120.200 -0.014 0.000 2.147 346 E HA -0.203 4.162 4.350 0.025 0.000 0.199 346 E C 0.432 176.737 176.600 -0.491 0.000 1.005 346 E CA 1.125 57.293 56.400 -0.386 0.000 0.810 346 E CB 0.019 29.306 29.700 -0.688 0.000 0.736 346 E HN 0.291 nan 8.360 nan 0.000 0.460 347 F N -0.638 119.314 119.950 0.004 0.000 2.647 347 F HA 0.269 4.811 4.527 0.025 0.000 0.300 347 F C 1.187 176.918 175.800 -0.116 0.000 1.106 347 F CA -0.324 57.653 58.000 -0.038 0.000 1.313 347 F CB 0.673 39.660 39.000 -0.022 0.000 1.007 347 F HN -0.196 nan 8.300 nan 0.000 0.536 348 K N 0.152 120.480 120.400 -0.119 0.000 2.417 348 K HA 0.165 4.500 4.320 0.025 0.000 0.196 348 K C -0.426 175.749 176.600 -0.708 0.000 1.023 348 K CA 0.225 56.274 56.287 -0.396 0.000 1.122 348 K CB 0.235 32.441 32.500 -0.488 0.000 0.850 348 K HN 0.136 nan 8.250 nan 0.000 0.521 349 F N 0.044 119.841 119.950 -0.255 0.000 2.523 349 F HA 0.169 4.711 4.527 0.025 0.000 0.329 349 F C 1.227 176.822 175.800 -0.341 0.000 1.061 349 F CA -1.050 56.685 58.000 -0.442 0.000 0.967 349 F CB 1.031 39.372 39.000 -1.098 0.000 1.218 349 F HN -0.187 nan 8.300 nan 0.000 0.480 350 D N 0.727 121.125 120.400 -0.003 0.000 2.263 350 D HA -0.081 4.574 4.640 0.025 0.000 0.208 350 D C -0.036 176.349 176.300 0.141 0.000 0.971 350 D CA 1.318 55.384 54.000 0.109 0.000 0.867 350 D CB -0.214 40.733 40.800 0.244 0.000 0.929 350 D HN 0.269 nan 8.370 nan 0.000 0.492 351 F N -0.851 119.183 119.950 0.140 0.000 2.556 351 F HA 0.466 5.008 4.527 0.025 0.000 0.327 351 F C 0.069 175.860 175.800 -0.016 0.000 1.059 351 F CA -1.626 56.376 58.000 0.003 0.000 0.953 351 F CB 0.834 39.787 39.000 -0.078 0.000 1.227 351 F HN -0.397 nan 8.300 nan 0.000 0.478 352 D N 2.015 122.426 120.400 0.018 0.000 2.312 352 D HA 0.159 4.814 4.640 0.025 0.000 0.252 352 D C 1.076 177.317 176.300 -0.098 0.000 1.150 352 D CA 0.003 53.963 54.000 -0.066 0.000 0.870 352 D CB 1.345 42.124 40.800 -0.036 0.000 1.153 352 D HN 0.759 nan 8.370 nan 0.000 0.457 353 L N 3.497 124.598 121.223 -0.203 0.000 2.261 353 L HA -0.163 4.192 4.340 0.025 0.000 0.216 353 L C 1.968 178.711 176.870 -0.211 0.000 1.114 353 L CA 0.747 55.448 54.840 -0.232 0.000 0.777 353 L CB -0.129 41.646 42.059 -0.473 0.000 0.910 353 L HN 0.467 nan 8.230 nan 0.000 0.440 354 L N -1.035 120.084 121.223 -0.173 0.000 2.592 354 L HA 0.077 4.432 4.340 0.025 0.000 0.227 354 L C 0.431 177.233 176.870 -0.114 0.000 1.127 354 L CA -0.148 54.656 54.840 -0.059 0.000 0.884 354 L CB -0.205 41.930 42.059 0.126 0.000 1.065 354 L HN 0.092 nan 8.230 nan 0.000 0.457 355 D N 1.737 121.840 120.400 -0.495 0.000 2.347 355 D HA 0.127 4.782 4.640 0.025 0.000 0.235 355 D C -1.607 174.470 176.300 -0.371 0.000 1.149 355 D CA -2.256 51.187 54.000 -0.928 0.000 0.850 355 D CB 1.678 41.729 40.800 -1.249 0.000 1.061 355 D HN -0.075 nan 8.370 nan 0.000 0.487 356 P HA -0.041 nan 4.420 nan 0.000 0.245 356 P C 0.863 178.072 177.300 -0.152 0.000 1.212 356 P CA 0.542 63.578 63.100 -0.107 0.000 0.774 356 P CB -0.042 31.685 31.700 0.046 0.000 0.999 357 T N -4.043 110.412 114.554 -0.164 0.000 3.129 357 T HA 0.123 4.488 4.350 0.025 0.000 0.251 357 T C 0.736 175.347 174.700 -0.148 0.000 1.117 357 T CA -0.012 61.998 62.100 -0.150 0.000 1.034 357 T CB -0.264 68.560 68.868 -0.074 0.000 0.968 357 T HN -0.109 nan 8.240 nan 0.000 0.526 358 K N 1.938 122.156 120.400 -0.304 0.000 2.221 358 K HA 0.581 4.916 4.320 0.025 0.000 0.258 358 K C -0.342 176.072 176.600 -0.310 0.000 0.944 358 K CA -0.863 55.116 56.287 -0.512 0.000 0.823 358 K CB 2.209 34.275 32.500 -0.723 0.000 1.113 358 K HN 0.279 nan 8.250 nan 0.000 0.431 359 L N -0.535 120.633 121.223 -0.093 0.000 2.365 359 L HA 0.665 5.020 4.340 0.025 0.000 0.267 359 L C -0.066 176.616 176.870 -0.313 0.000 1.033 359 L CA -0.559 54.188 54.840 -0.155 0.000 0.802 359 L CB 0.349 42.395 42.059 -0.022 0.000 1.267 359 L HN 0.449 nan 8.230 nan 0.000 0.457 360 I N 1.312 121.789 120.570 -0.154 0.000 2.328 360 I HA 0.387 4.572 4.170 0.025 0.000 0.287 360 I C -2.152 173.978 176.117 0.022 0.000 1.012 360 I CA -1.720 59.534 61.300 -0.077 0.000 1.195 360 I CB 1.327 39.309 38.000 -0.030 0.000 1.350 360 I HN 0.452 nan 8.210 nan 0.000 0.464 361 P HA 0.039 nan 4.420 nan 0.000 0.265 361 P C 0.313 177.681 177.300 0.114 0.000 1.193 361 P CA 0.031 63.179 63.100 0.081 0.000 0.765 361 P CB 0.607 32.351 31.700 0.073 0.000 0.823 362 E N 1.701 121.975 120.200 0.123 0.000 2.265 362 E HA -0.199 4.166 4.350 0.025 0.000 0.196 362 E C 1.365 178.020 176.600 0.091 0.000 0.996 362 E CA 0.794 57.254 56.400 0.100 0.000 0.832 362 E CB -0.012 29.747 29.700 0.099 0.000 0.756 362 E HN 0.518 nan 8.360 nan 0.000 0.491 363 E N 0.358 120.613 120.200 0.093 0.000 2.204 363 E HA -0.139 4.226 4.350 0.025 0.000 0.195 363 E C 2.054 178.720 176.600 0.109 0.000 0.990 363 E CA 0.756 57.207 56.400 0.086 0.000 0.821 363 E CB 0.090 29.833 29.700 0.073 0.000 0.750 363 E HN 0.376 nan 8.360 nan 0.000 0.477 364 L N -0.421 120.890 121.223 0.148 0.000 2.253 364 L HA 0.060 4.415 4.340 0.025 0.000 0.205 364 L C 0.694 177.688 176.870 0.207 0.000 1.078 364 L CA 0.393 55.359 54.840 0.211 0.000 0.805 364 L CB 0.439 42.705 42.059 0.346 0.000 0.963 364 L HN -0.211 nan 8.230 nan 0.000 0.459 365 V N 0.929 120.942 119.914 0.165 0.000 2.398 365 V HA 0.325 4.460 4.120 0.025 0.000 0.282 365 V C -2.423 173.720 176.094 0.081 0.000 1.014 365 V CA -1.382 60.998 62.300 0.134 0.000 0.838 365 V CB 1.415 33.310 31.823 0.119 0.000 1.018 365 V HN -0.053 nan 8.190 nan 0.000 0.432 366 P HA 0.180 nan 4.420 nan 0.000 0.272 366 P C -0.319 176.981 177.300 0.000 0.000 1.230 366 P CA -0.113 63.007 63.100 0.034 0.000 0.788 366 P CB 0.741 32.464 31.700 0.039 0.000 0.949 367 V N 3.149 123.029 119.914 -0.057 0.000 2.455 367 V HA 0.066 4.201 4.120 0.025 0.000 0.273 367 V C 0.573 176.654 176.094 -0.022 0.000 1.045 367 V CA 0.073 62.309 62.300 -0.106 0.000 0.976 367 V CB -0.078 31.593 31.823 -0.254 0.000 0.993 367 V HN 0.458 nan 8.190 nan 0.000 0.475 368 Q N 5.111 124.920 119.800 0.014 0.000 2.279 368 Q HA 0.396 4.751 4.340 0.025 0.000 0.256 368 Q C -0.214 175.774 176.000 -0.018 0.000 0.937 368 Q CA -0.501 55.311 55.803 0.016 0.000 0.933 368 Q CB 1.431 30.194 28.738 0.041 0.000 1.189 368 Q HN 0.624 nan 8.270 nan 0.000 0.417 369 R N 1.278 121.794 120.500 0.025 0.000 2.537 369 R HA 0.079 4.434 4.340 0.025 0.000 0.280 369 R C 0.339 176.670 176.300 0.051 0.000 1.058 369 R CA -0.134 56.023 56.100 0.095 0.000 1.057 369 R CB 0.518 30.944 30.300 0.210 0.000 0.973 369 R HN 0.429 nan 8.270 nan 0.000 0.438 370 V N 0.747 120.612 119.914 -0.082 0.000 3.250 370 V HA 0.327 4.462 4.120 0.025 0.000 0.240 370 V C 0.715 176.576 176.094 -0.388 0.000 1.275 370 V CA 1.001 63.131 62.300 -0.282 0.000 1.206 370 V CB 1.022 32.405 31.823 -0.734 0.000 0.976 370 V HN 1.046 nan 8.190 nan 0.000 0.467 371 G N -0.217 108.205 108.800 -0.631 0.000 2.320 371 G HA2 0.441 4.416 3.960 0.025 0.000 0.296 371 G HA3 0.441 4.416 3.960 0.025 0.000 0.296 371 G C -1.877 172.656 174.900 -0.611 0.000 1.306 371 G CA -0.539 43.838 45.100 -1.205 0.000 0.836 371 G HN 0.051 nan 8.290 nan 0.000 0.517 372 K N -0.355 119.716 120.400 -0.549 0.000 2.378 372 K HA 0.719 5.054 4.320 0.025 0.000 0.252 372 K C -0.836 175.811 176.600 0.077 0.000 0.931 372 K CA -0.805 55.465 56.287 -0.028 0.000 0.794 372 K CB 2.037 34.562 32.500 0.041 0.000 1.181 372 K HN 0.623 nan 8.250 nan 0.000 0.425 373 M N 4.480 124.272 119.600 0.321 0.000 2.364 373 M HA 0.414 4.909 4.480 0.025 0.000 0.334 373 M C -1.708 174.574 176.300 -0.029 0.000 1.107 373 M CA -0.753 54.661 55.300 0.189 0.000 0.988 373 M CB 1.698 34.462 32.600 0.274 0.000 1.673 373 M HN 0.336 nan 8.290 nan 0.000 0.441 374 V N 6.185 125.906 119.914 -0.322 0.000 2.487 374 V HA 0.444 4.579 4.120 0.025 0.000 0.298 374 V C -0.588 175.369 176.094 -0.229 0.000 1.028 374 V CA -0.724 61.408 62.300 -0.279 0.000 0.860 374 V CB 1.770 33.315 31.823 -0.464 0.000 0.991 374 V HN 0.809 nan 8.190 nan 0.000 0.427 375 L N 5.447 126.627 121.223 -0.072 0.000 2.257 375 L HA 0.504 4.859 4.340 0.025 0.000 0.290 375 L C 0.470 177.250 176.870 -0.150 0.000 1.044 375 L CA -0.307 54.494 54.840 -0.065 0.000 0.810 375 L CB 1.044 43.116 42.059 0.022 0.000 1.193 375 L HN 0.873 nan 8.230 nan 0.000 0.425 376 N N 2.522 121.051 118.700 -0.285 0.000 2.194 376 N HA 0.137 4.892 4.740 0.025 0.000 0.231 376 N C -0.044 175.292 175.510 -0.290 0.000 1.247 376 N CA -0.389 52.244 53.050 -0.696 0.000 0.884 376 N CB 0.793 38.532 38.487 -1.247 0.000 1.146 376 N HN 0.484 nan 8.380 nan 0.000 0.516 377 R N 0.227 120.666 120.500 -0.102 0.000 2.535 377 R HA 0.300 4.655 4.340 0.025 0.000 0.274 377 R C -1.257 175.008 176.300 -0.058 0.000 1.090 377 R CA -0.566 55.494 56.100 -0.067 0.000 0.930 377 R CB 1.253 31.519 30.300 -0.057 0.000 1.223 377 R HN 0.045 nan 8.270 nan 0.000 0.441 378 N N 3.465 122.008 118.700 -0.262 0.000 2.444 378 N HA 0.234 4.989 4.740 0.025 0.000 0.255 378 N C -2.231 173.235 175.510 -0.074 0.000 1.255 378 N CA -1.043 51.714 53.050 -0.489 0.000 0.933 378 N CB 0.472 38.012 38.487 -1.579 0.000 1.143 378 N HN 0.353 nan 8.380 nan 0.000 0.453 379 P HA 0.105 nan 4.420 nan 0.000 0.274 379 P C 0.008 177.500 177.300 0.319 0.000 1.260 379 P CA -0.074 63.225 63.100 0.331 0.000 0.793 379 P CB 1.059 33.002 31.700 0.405 0.000 1.048 380 D N -1.298 119.262 120.400 0.266 0.000 2.269 380 D HA -0.007 4.648 4.640 0.025 0.000 0.220 380 D C 0.504 176.980 176.300 0.294 0.000 0.962 380 D CA 1.263 55.415 54.000 0.253 0.000 0.884 380 D CB 0.145 41.033 40.800 0.147 0.000 1.023 380 D HN 0.393 nan 8.370 nan 0.000 0.484 381 N N -0.167 118.696 118.700 0.272 0.000 2.399 381 N HA 0.019 4.774 4.740 0.025 0.000 0.284 381 N C -0.023 175.698 175.510 0.350 0.000 1.025 381 N CA -0.337 52.888 53.050 0.292 0.000 0.885 381 N CB 1.666 40.291 38.487 0.230 0.000 1.339 381 N HN -0.153 nan 8.380 nan 0.000 0.487 382 F N 4.380 124.484 119.950 0.256 0.000 2.102 382 F HA -0.133 4.408 4.527 0.024 0.000 0.298 382 F C 1.675 177.613 175.800 0.231 0.000 1.105 382 F CA 1.354 59.509 58.000 0.258 0.000 1.239 382 F CB -0.100 39.027 39.000 0.212 0.000 0.991 382 F HN 0.605 nan 8.300 nan 0.000 0.474 383 F N 0.880 121.087 119.950 0.428 0.000 2.095 383 F HA -0.175 4.368 4.527 0.026 0.000 0.298 383 F C 2.311 178.170 175.800 0.098 0.000 1.104 383 F CA 1.857 60.012 58.000 0.258 0.000 1.232 383 F CB -0.877 38.248 39.000 0.208 0.000 0.987 383 F HN -0.002 nan 8.300 nan 0.000 0.475 384 A N -0.422 122.532 122.820 0.224 0.000 1.930 384 A HA -0.142 4.193 4.320 0.025 0.000 0.217 384 A C 2.076 179.588 177.584 -0.120 0.000 1.175 384 A CA 1.924 54.002 52.037 0.068 0.000 0.627 384 A CB -0.641 18.452 19.000 0.154 0.000 0.815 384 A HN 0.581 nan 8.150 nan 0.000 0.443 385 E N -1.196 118.950 120.200 -0.091 0.000 2.132 385 E HA -0.067 4.298 4.350 0.025 0.000 0.193 385 E C 1.974 178.476 176.600 -0.164 0.000 0.951 385 E CA 0.469 56.747 56.400 -0.203 0.000 0.843 385 E CB -0.129 29.502 29.700 -0.115 0.000 0.807 385 E HN 0.559 nan 8.360 nan 0.000 0.467 386 N N 1.372 119.977 118.700 -0.159 0.000 2.124 386 N HA -0.172 4.583 4.740 0.025 0.000 0.188 386 N C 1.850 177.182 175.510 -0.296 0.000 1.045 386 N CA 1.476 54.368 53.050 -0.263 0.000 0.846 386 N CB 0.017 37.918 38.487 -0.977 0.000 1.020 386 N HN -0.056 nan 8.380 nan 0.000 0.432 387 E N 0.751 120.705 120.200 -0.410 0.000 2.110 387 E HA -0.092 4.273 4.350 0.025 0.000 0.193 387 E C 1.680 178.087 176.600 -0.321 0.000 0.988 387 E CA 1.441 57.674 56.400 -0.279 0.000 0.804 387 E CB -0.182 29.368 29.700 -0.250 0.000 0.745 387 E HN 0.505 nan 8.360 nan 0.000 0.458 388 Q N -0.130 119.401 119.800 -0.449 0.000 2.444 388 Q HA 0.236 4.591 4.340 0.025 0.000 0.206 388 Q C 0.062 175.940 176.000 -0.203 0.000 0.948 388 Q CA 0.225 55.828 55.803 -0.334 0.000 0.946 388 Q CB 0.365 28.890 28.738 -0.355 0.000 1.027 388 Q HN 0.227 nan 8.270 nan 0.000 0.513 389 A N 1.256 123.980 122.820 -0.160 0.000 2.511 389 A HA 0.418 4.753 4.320 0.025 0.000 0.242 389 A C -0.089 177.391 177.584 -0.173 0.000 1.069 389 A CA 0.237 52.163 52.037 -0.186 0.000 0.763 389 A CB 0.194 19.169 19.000 -0.042 0.000 1.001 389 A HN 0.287 nan 8.150 nan 0.000 0.498 390 A N 2.498 125.157 122.820 -0.268 0.000 2.311 390 A HA 0.720 5.055 4.320 0.025 0.000 0.306 390 A C -0.771 176.690 177.584 -0.205 0.000 1.189 390 A CA -0.416 51.529 52.037 -0.153 0.000 0.791 390 A CB 0.359 19.253 19.000 -0.175 0.000 1.172 390 A HN 0.666 nan 8.150 nan 0.000 0.481 391 F N 1.036 120.993 119.950 0.011 0.000 2.480 391 F HA 0.643 5.185 4.527 0.025 0.000 0.329 391 F C 0.242 176.020 175.800 -0.037 0.000 1.091 391 F CA -0.218 57.768 58.000 -0.024 0.000 0.972 391 F CB 2.145 41.071 39.000 -0.124 0.000 1.150 391 F HN 0.768 nan 8.300 nan 0.000 0.467 392 H N 3.322 122.257 119.070 -0.225 0.000 3.026 392 H HA 0.309 4.881 4.556 0.025 0.000 0.352 392 H C -2.489 172.456 175.328 -0.637 0.000 1.090 392 H CA -1.831 53.849 56.048 -0.613 0.000 1.268 392 H CB 2.937 32.259 29.762 -0.733 0.000 1.816 392 H HN 0.185 nan 8.280 nan 0.000 0.518 393 P HA 0.043 nan 4.420 nan 0.000 0.236 393 P C 1.077 178.258 177.300 -0.198 0.000 1.177 393 P CA 1.069 63.849 63.100 -0.532 0.000 0.773 393 P CB 0.204 31.651 31.700 -0.421 0.000 0.878 394 G N -0.774 107.733 108.800 -0.489 0.000 2.598 394 G HA2 -0.155 3.820 3.960 0.025 0.000 0.215 394 G HA3 -0.155 3.820 3.960 0.025 0.000 0.215 394 G C 0.464 175.609 174.900 0.407 0.000 1.131 394 G CA 0.002 45.218 45.100 0.193 0.000 0.785 394 G HN 0.438 nan 8.290 nan 0.000 0.539 395 H N 0.794 120.009 119.070 0.242 0.000 3.216 395 H HA 0.316 4.887 4.556 0.024 0.000 0.263 395 H C 0.656 176.094 175.328 0.184 0.000 1.601 395 H CA -0.793 55.350 56.048 0.159 0.000 1.509 395 H CB -0.158 29.659 29.762 0.092 0.000 1.759 395 H HN 0.383 nan 8.280 nan 0.000 0.533 396 I N -0.579 120.120 120.570 0.214 0.000 3.205 396 I HA 0.666 4.851 4.170 0.025 0.000 0.310 396 I C -0.056 176.046 176.117 -0.025 0.000 1.089 396 I CA -1.407 59.939 61.300 0.076 0.000 1.023 396 I CB 1.739 39.663 38.000 -0.126 0.000 1.269 396 I HN 0.085 nan 8.210 nan 0.000 0.512 397 V N -2.538 117.344 119.914 -0.054 0.000 3.102 397 V HA 0.658 4.793 4.120 0.025 0.000 0.312 397 V C -2.862 173.334 176.094 0.169 0.000 1.135 397 V CA -2.519 59.810 62.300 0.048 0.000 1.022 397 V CB 1.020 32.856 31.823 0.021 0.000 1.056 397 V HN 0.622 nan 8.190 nan 0.000 0.436 398 P HA 0.377 nan 4.420 nan 0.000 0.264 398 P C 0.896 178.191 177.300 -0.008 0.000 1.193 398 P CA 1.908 65.086 63.100 0.130 0.000 0.763 398 P CB 0.693 32.439 31.700 0.078 0.000 0.810 399 G N 1.585 110.333 108.800 -0.086 0.000 2.201 399 G HA2 -0.156 3.819 3.960 0.025 0.000 0.212 399 G HA3 -0.156 3.819 3.960 0.025 0.000 0.212 399 G C -0.282 174.523 174.900 -0.159 0.000 0.994 399 G CA -0.452 44.573 45.100 -0.125 0.000 0.644 399 G HN 0.445 nan 8.290 nan 0.000 0.508 400 L N 0.074 121.217 121.223 -0.132 0.000 2.323 400 L HA 0.903 5.258 4.340 0.025 0.000 0.265 400 L C -0.483 176.327 176.870 -0.101 0.000 1.012 400 L CA -1.043 53.698 54.840 -0.165 0.000 0.820 400 L CB 2.112 43.995 42.059 -0.292 0.000 1.334 400 L HN 0.100 nan 8.230 nan 0.000 0.427 401 D N -0.514 119.817 120.400 -0.116 0.000 2.677 401 D HA 0.473 5.128 4.640 0.025 0.000 0.298 401 D C -1.299 174.951 176.300 -0.085 0.000 1.250 401 D CA -0.336 53.558 54.000 -0.177 0.000 0.888 401 D CB 1.953 42.727 40.800 -0.044 0.000 1.397 401 D HN 0.114 nan 8.370 nan 0.000 0.461 402 F N -0.227 119.851 119.950 0.214 0.000 2.403 402 F HA 0.521 5.063 4.527 0.025 0.000 0.326 402 F C 1.428 177.244 175.800 0.026 0.000 1.099 402 F CA -0.326 57.724 58.000 0.084 0.000 1.036 402 F CB 1.357 40.381 39.000 0.041 0.000 1.336 402 F HN 0.195 nan 8.300 nan 0.000 0.497 403 T N -3.219 111.422 114.554 0.146 0.000 2.773 403 T HA 0.308 4.673 4.350 0.025 0.000 0.278 403 T C 0.010 174.745 174.700 0.058 0.000 1.011 403 T CA -0.956 61.217 62.100 0.122 0.000 1.014 403 T CB 1.144 70.068 68.868 0.094 0.000 1.293 403 T HN 0.357 nan 8.240 nan 0.000 0.554 404 N N 1.072 119.813 118.700 0.068 0.000 2.449 404 N HA 0.056 4.811 4.740 0.025 0.000 0.191 404 N C 0.074 175.595 175.510 0.017 0.000 1.161 404 N CA 0.076 53.148 53.050 0.036 0.000 0.863 404 N CB -0.448 38.077 38.487 0.064 0.000 0.980 404 N HN 0.694 nan 8.380 nan 0.000 0.458 405 D N 2.361 122.758 120.400 -0.004 0.000 2.793 405 D HA -0.097 4.558 4.640 0.025 0.000 0.230 405 D C -1.449 174.848 176.300 -0.005 0.000 1.139 405 D CA -0.700 53.318 54.000 0.030 0.000 0.838 405 D CB 1.203 41.962 40.800 -0.067 0.000 1.149 405 D HN 0.165 nan 8.370 nan 0.000 0.526 406 P HA -0.061 nan 4.420 nan 0.000 0.241 406 P C 1.448 178.769 177.300 0.035 0.000 1.191 406 P CA -0.016 63.103 63.100 0.030 0.000 0.771 406 P CB 0.470 32.183 31.700 0.022 0.000 0.929 407 L N -0.101 121.160 121.223 0.063 0.000 2.084 407 L HA 0.022 4.376 4.340 0.025 0.000 0.202 407 L C 2.360 179.149 176.870 -0.134 0.000 1.074 407 L CA 1.236 56.107 54.840 0.052 0.000 0.757 407 L CB -1.566 40.615 42.059 0.203 0.000 0.918 407 L HN -0.173 nan 8.230 nan 0.000 0.444 408 L N -0.440 120.539 121.223 -0.406 0.000 2.013 408 L HA -0.249 4.106 4.340 0.025 0.000 0.212 408 L C 2.468 179.091 176.870 -0.412 0.000 1.073 408 L CA 1.843 56.232 54.840 -0.751 0.000 0.753 408 L CB -0.927 40.433 42.059 -1.165 0.000 0.890 408 L HN 0.385 nan 8.230 nan 0.000 0.432 409 Q N -0.240 119.390 119.800 -0.283 0.000 2.112 409 Q HA -0.163 4.192 4.340 0.025 0.000 0.206 409 Q C 2.093 178.015 176.000 -0.130 0.000 0.987 409 Q CA 1.834 57.513 55.803 -0.208 0.000 0.858 409 Q CB -0.777 27.889 28.738 -0.120 0.000 0.905 409 Q HN 0.713 nan 8.270 nan 0.000 0.420 410 G N 0.246 109.002 108.800 -0.074 0.000 2.464 410 G HA2 -0.179 3.796 3.960 0.025 0.000 0.217 410 G HA3 -0.179 3.796 3.960 0.025 0.000 0.217 410 G C 1.510 176.432 174.900 0.036 0.000 1.138 410 G CA 0.045 45.151 45.100 0.010 0.000 0.793 410 G HN 0.233 nan 8.290 nan 0.000 0.539 411 R N -0.063 120.406 120.500 -0.052 0.000 2.103 411 R HA -0.011 4.344 4.340 0.025 0.000 0.242 411 R C 2.481 178.859 176.300 0.130 0.000 1.142 411 R CA 1.045 57.169 56.100 0.040 0.000 0.960 411 R CB -0.507 29.772 30.300 -0.035 0.000 0.858 411 R HN 0.336 nan 8.270 nan 0.000 0.439 412 L N -0.368 120.825 121.223 -0.049 0.000 2.127 412 L HA -0.210 4.145 4.340 0.025 0.000 0.211 412 L C 2.298 179.306 176.870 0.230 0.000 1.089 412 L CA 1.072 55.912 54.840 -0.000 0.000 0.757 412 L CB -0.467 41.444 42.059 -0.248 0.000 0.899 412 L HN 0.162 nan 8.230 nan 0.000 0.434 413 F N 0.281 120.264 119.950 0.054 0.000 2.113 413 F HA -0.210 4.332 4.527 0.025 0.000 0.297 413 F C 2.832 178.675 175.800 0.073 0.000 1.103 413 F CA 1.659 59.688 58.000 0.049 0.000 1.248 413 F CB -0.303 38.705 39.000 0.014 0.000 0.999 413 F HN -0.034 nan 8.300 nan 0.000 0.475 414 S N -0.807 114.903 115.700 0.017 0.000 2.368 414 S HA -0.226 4.259 4.470 0.025 0.000 0.224 414 S C 2.056 176.529 174.600 -0.211 0.000 1.029 414 S CA 1.428 59.517 58.200 -0.184 0.000 0.988 414 S CB -0.835 62.282 63.200 -0.138 0.000 0.838 414 S HN 0.526 nan 8.310 nan 0.000 0.462 415 Y N 1.841 122.157 120.300 0.027 0.000 2.439 415 Y HA -0.037 4.528 4.550 0.025 0.000 0.292 415 Y C 2.972 178.564 175.900 -0.512 0.000 1.130 415 Y CA 1.272 59.412 58.100 0.067 0.000 1.254 415 Y CB -0.452 39.030 38.460 1.703 0.000 1.000 415 Y HN 0.543 nan 8.280 nan 0.000 0.554 416 T N -3.251 110.939 114.554 -0.607 0.000 2.976 416 T HA -0.115 4.250 4.350 0.025 0.000 0.257 416 T C 1.541 176.040 174.700 -0.335 0.000 1.051 416 T CA 1.106 62.937 62.100 -0.448 0.000 1.141 416 T CB -0.420 68.245 68.868 -0.338 0.000 0.881 416 T HN 0.245 nan 8.240 nan 0.000 0.461 417 D N 1.454 121.592 120.400 -0.437 0.000 2.104 417 D HA -0.145 4.510 4.640 0.025 0.000 0.194 417 D C 2.274 178.415 176.300 -0.265 0.000 0.994 417 D CA 1.913 55.673 54.000 -0.399 0.000 0.830 417 D CB -0.826 39.547 40.800 -0.712 0.000 0.959 417 D HN 0.374 nan 8.370 nan 0.000 0.452 418 T N -1.072 113.316 114.554 -0.276 0.000 2.803 418 T HA -0.147 4.218 4.350 0.025 0.000 0.269 418 T C 1.652 176.226 174.700 -0.209 0.000 1.052 418 T CA 1.242 63.220 62.100 -0.203 0.000 1.136 418 T CB -0.236 68.511 68.868 -0.201 0.000 0.864 418 T HN 0.143 nan 8.240 nan 0.000 0.467 419 Q N 0.610 120.217 119.800 -0.323 0.000 2.291 419 Q HA 0.017 4.371 4.340 0.025 0.000 0.205 419 Q C 2.267 178.156 176.000 -0.185 0.000 0.970 419 Q CA 0.672 56.234 55.803 -0.401 0.000 0.876 419 Q CB -0.423 27.680 28.738 -1.058 0.000 0.935 419 Q HN 0.519 nan 8.270 nan 0.000 0.455 420 I N 0.977 121.487 120.570 -0.100 0.000 2.286 420 I HA -0.211 3.974 4.170 0.025 0.000 0.248 420 I C 2.287 178.402 176.117 -0.003 0.000 1.115 420 I CA 1.667 62.968 61.300 0.001 0.000 1.392 420 I CB -1.336 36.670 38.000 0.011 0.000 1.065 420 I HN 0.190 nan 8.210 nan 0.000 0.418 421 S N 0.439 116.122 115.700 -0.027 0.000 2.387 421 S HA -0.079 4.406 4.470 0.025 0.000 0.221 421 S C 2.175 176.765 174.600 -0.017 0.000 1.041 421 S CA 0.205 58.398 58.200 -0.011 0.000 0.959 421 S CB -0.397 62.800 63.200 -0.005 0.000 0.843 421 S HN 0.299 nan 8.310 nan 0.000 0.488 422 R N 0.959 121.431 120.500 -0.048 0.000 2.073 422 R HA 0.133 4.488 4.340 0.025 0.000 0.234 422 R C 1.393 177.672 176.300 -0.034 0.000 1.134 422 R CA 1.489 57.563 56.100 -0.044 0.000 0.952 422 R CB -0.271 29.982 30.300 -0.079 0.000 0.850 422 R HN 0.452 nan 8.270 nan 0.000 0.433 423 L N -0.805 120.388 121.223 -0.051 0.000 2.769 423 L HA 0.324 4.679 4.340 0.025 0.000 0.240 423 L C 0.838 177.726 176.870 0.029 0.000 1.163 423 L CA 0.292 55.121 54.840 -0.018 0.000 0.962 423 L CB 1.118 43.158 42.059 -0.032 0.000 1.258 423 L HN 0.583 nan 8.230 nan 0.000 0.513 424 G N -0.050 108.766 108.800 0.028 0.000 2.179 424 G HA2 -0.125 3.850 3.960 0.025 0.000 0.260 424 G HA3 -0.125 3.850 3.960 0.025 0.000 0.260 424 G C 0.458 175.397 174.900 0.065 0.000 0.977 424 G CA 0.019 45.144 45.100 0.041 0.000 0.641 424 G HN 0.794 nan 8.290 nan 0.000 0.533 425 G N -1.589 107.269 108.800 0.098 0.000 2.356 425 G HA2 0.582 4.557 3.960 0.025 0.000 0.288 425 G HA3 0.582 4.557 3.960 0.025 0.000 0.288 425 G C -2.272 172.756 174.900 0.214 0.000 1.302 425 G CA 0.388 45.560 45.100 0.121 0.000 0.887 425 G HN 0.480 nan 8.290 nan 0.000 0.521 426 P HA 0.146 nan 4.420 nan 0.000 0.255 426 P C 0.276 177.582 177.300 0.010 0.000 1.248 426 P CA 0.312 63.499 63.100 0.145 0.000 0.807 426 P CB 0.236 31.986 31.700 0.083 0.000 1.150 427 N N 0.387 119.098 118.700 0.018 0.000 2.327 427 N HA 0.063 4.818 4.740 0.025 0.000 0.231 427 N C 1.044 176.403 175.510 -0.252 0.000 1.130 427 N CA -0.163 52.805 53.050 -0.137 0.000 0.845 427 N CB -0.571 37.870 38.487 -0.077 0.000 1.073 427 N HN 0.253 nan 8.380 nan 0.000 0.496 428 F N 0.759 120.683 119.950 -0.042 0.000 2.333 428 F HA -0.072 4.469 4.527 0.023 0.000 0.300 428 F C 2.174 177.899 175.800 -0.125 0.000 1.083 428 F CA 0.791 58.740 58.000 -0.086 0.000 1.395 428 F CB -0.787 38.183 39.000 -0.050 0.000 1.056 428 F HN 0.170 nan 8.300 nan 0.000 0.529 429 H N 0.308 119.015 119.070 -0.605 0.000 2.559 429 H HA 0.096 4.668 4.556 0.025 0.000 0.273 429 H C 0.813 175.977 175.328 -0.274 0.000 1.000 429 H CA 1.224 57.007 56.048 -0.443 0.000 1.195 429 H CB -0.704 28.650 29.762 -0.680 0.000 1.368 429 H HN 0.529 nan 8.280 nan 0.000 0.592 430 E N 0.968 120.729 120.200 -0.732 0.000 2.474 430 E HA 0.179 4.544 4.350 0.025 0.000 0.194 430 E C 0.361 176.840 176.600 -0.201 0.000 1.041 430 E CA -0.283 55.857 56.400 -0.434 0.000 0.874 430 E CB 0.569 30.021 29.700 -0.414 0.000 0.914 430 E HN 0.426 nan 8.360 nan 0.000 0.498 431 I N 2.834 123.307 120.570 -0.162 0.000 2.668 431 I HA -0.057 4.128 4.170 0.025 0.000 0.285 431 I C -1.574 174.478 176.117 -0.108 0.000 1.168 431 I CA -1.288 59.947 61.300 -0.108 0.000 1.424 431 I CB 0.568 38.518 38.000 -0.083 0.000 1.377 431 I HN -0.198 nan 8.210 nan 0.000 0.560 432 P HA -0.233 nan 4.420 nan 0.000 0.216 432 P C 1.734 178.955 177.300 -0.131 0.000 1.154 432 P CA 1.225 64.265 63.100 -0.101 0.000 0.865 432 P CB 0.185 31.833 31.700 -0.087 0.000 0.789 433 I N -0.684 119.780 120.570 -0.177 0.000 2.361 433 I HA -0.196 3.989 4.170 0.025 0.000 0.251 433 I C 1.353 177.389 176.117 -0.134 0.000 1.133 433 I CA 1.721 62.865 61.300 -0.261 0.000 1.413 433 I CB -0.597 37.125 38.000 -0.462 0.000 1.073 433 I HN -0.112 nan 8.210 nan 0.000 0.424 434 N N 0.745 119.381 118.700 -0.106 0.000 2.463 434 N HA 0.016 4.771 4.740 0.025 0.000 0.181 434 N C 0.320 175.830 175.510 0.000 0.000 1.078 434 N CA 0.257 53.275 53.050 -0.054 0.000 0.902 434 N CB -0.165 38.310 38.487 -0.020 0.000 0.970 434 N HN 0.387 nan 8.380 nan 0.000 0.451 435 R N 1.490 121.985 120.500 -0.008 0.000 2.570 435 R HA 0.143 4.498 4.340 0.025 0.000 0.277 435 R C -2.220 174.132 176.300 0.087 0.000 1.039 435 R CA -1.117 54.981 56.100 -0.003 0.000 1.065 435 R CB -0.112 30.173 30.300 -0.025 0.000 0.964 435 R HN 0.027 nan 8.270 nan 0.000 0.428 436 P HA 0.009 nan 4.420 nan 0.000 0.272 436 P C 0.562 177.933 177.300 0.118 0.000 1.223 436 P CA -0.075 63.098 63.100 0.122 0.000 0.784 436 P CB 0.771 32.499 31.700 0.047 0.000 0.923 437 T N -1.735 112.906 114.554 0.145 0.000 3.054 437 T HA 0.221 4.586 4.350 0.025 0.000 0.259 437 T C 0.933 175.682 174.700 0.082 0.000 1.092 437 T CA 0.066 62.208 62.100 0.069 0.000 1.121 437 T CB -0.349 68.548 68.868 0.047 0.000 0.912 437 T HN 0.445 nan 8.240 nan 0.000 0.489 438 A N 3.015 125.898 122.820 0.105 0.000 2.425 438 A HA 0.555 4.890 4.320 0.025 0.000 0.242 438 A C -2.206 175.440 177.584 0.105 0.000 1.077 438 A CA -1.358 50.738 52.037 0.099 0.000 0.781 438 A CB -0.386 18.674 19.000 0.100 0.000 1.020 438 A HN 0.280 nan 8.150 nan 0.000 0.494 439 P HA 0.312 nan 4.420 nan 0.000 0.269 439 P C -1.078 176.300 177.300 0.130 0.000 1.209 439 P CA 0.558 63.730 63.100 0.120 0.000 0.776 439 P CB 0.146 31.966 31.700 0.200 0.000 0.876 440 Y N 0.703 120.889 120.300 -0.189 0.000 2.386 440 Y HA 0.668 5.232 4.550 0.024 0.000 0.334 440 Y C -1.452 174.123 175.900 -0.543 0.000 1.002 440 Y CA -0.913 57.062 58.100 -0.210 0.000 1.068 440 Y CB 1.393 39.753 38.460 -0.167 0.000 1.203 440 Y HN 0.440 nan 8.280 nan 0.000 0.443 441 H N 3.748 122.660 119.070 -0.263 0.000 2.954 441 H HA 0.562 5.133 4.556 0.025 0.000 0.361 441 H C -1.137 174.044 175.328 -0.244 0.000 1.122 441 H CA -0.756 55.068 56.048 -0.374 0.000 1.217 441 H CB 1.727 31.324 29.762 -0.275 0.000 1.776 441 H HN 0.900 nan 8.280 nan 0.000 0.533 442 N N 0.308 118.873 118.700 -0.224 0.000 3.441 442 N HA 0.164 4.918 4.740 0.025 0.000 0.313 442 N C -1.264 173.985 175.510 -0.435 0.000 1.526 442 N CA -0.888 51.981 53.050 -0.302 0.000 0.871 442 N CB 0.613 39.093 38.487 -0.013 0.000 1.779 442 N HN 0.313 nan 8.380 nan 0.000 0.529 443 F N -0.323 119.665 119.950 0.064 0.000 2.639 443 F HA 0.383 4.924 4.527 0.024 0.000 0.302 443 F C 0.400 176.240 175.800 0.067 0.000 1.097 443 F CA -0.358 57.674 58.000 0.054 0.000 1.294 443 F CB 0.253 39.279 39.000 0.044 0.000 1.027 443 F HN 0.137 nan 8.300 nan 0.000 0.550 444 Q N 1.617 121.519 119.800 0.169 0.000 2.352 444 Q HA 0.415 4.770 4.340 0.025 0.000 0.260 444 Q C 0.018 176.092 176.000 0.123 0.000 0.976 444 Q CA -0.052 55.834 55.803 0.138 0.000 0.881 444 Q CB 1.028 29.824 28.738 0.097 0.000 1.235 444 Q HN 0.074 nan 8.270 nan 0.000 0.419 445 R N 1.710 122.277 120.500 0.112 0.000 2.774 445 R HA 0.372 4.727 4.340 0.025 0.000 0.272 445 R C -0.717 175.630 176.300 0.079 0.000 1.000 445 R CA -0.621 55.536 56.100 0.095 0.000 0.906 445 R CB 1.354 31.712 30.300 0.097 0.000 1.227 445 R HN 0.722 nan 8.270 nan 0.000 0.468 446 D N -0.229 120.209 120.400 0.065 0.000 3.555 446 D HA -0.142 4.513 4.640 0.025 0.000 0.215 446 D C 0.329 176.661 176.300 0.053 0.000 1.480 446 D CA 1.854 55.885 54.000 0.051 0.000 1.126 446 D CB -1.104 39.725 40.800 0.049 0.000 0.676 446 D HN 0.902 nan 8.370 nan 0.000 0.824 447 G N -1.218 107.612 108.800 0.050 0.000 2.758 447 G HA2 0.184 4.158 3.960 0.025 0.000 0.686 447 G HA3 0.184 4.158 3.960 0.025 0.000 0.686 447 G C -0.253 174.679 174.900 0.053 0.000 1.389 447 G CA 0.096 45.228 45.100 0.054 0.000 0.845 447 G HN 0.837 nan 8.290 nan 0.000 0.572 448 M N 0.886 120.524 119.600 0.063 0.000 2.249 448 M HA 0.501 4.995 4.480 0.025 0.000 0.340 448 M C 1.100 177.474 176.300 0.125 0.000 1.166 448 M CA 1.212 56.559 55.300 0.077 0.000 1.115 448 M CB -0.436 32.211 32.600 0.079 0.000 1.606 448 M HN 1.614 nan 8.290 nan 0.000 0.448 449 H N 0.764 119.837 119.070 0.006 0.000 2.626 449 H HA -0.198 4.372 4.556 0.023 0.000 0.317 449 H C -0.673 174.647 175.328 -0.014 0.000 1.140 449 H CA 0.715 56.762 56.048 -0.001 0.000 1.134 449 H CB -0.662 29.102 29.762 0.004 0.000 1.486 449 H HN 0.631 nan 8.280 nan 0.000 0.417 450 R N 1.408 121.919 120.500 0.018 0.000 2.404 450 R HA 0.019 4.374 4.340 0.025 0.000 0.315 450 R C 0.987 177.277 176.300 -0.016 0.000 1.032 450 R CA 0.164 56.271 56.100 0.011 0.000 0.992 450 R CB 0.212 30.519 30.300 0.012 0.000 0.959 450 R HN 0.402 nan 8.270 nan 0.000 0.428 451 M N 2.754 122.361 119.600 0.011 0.000 2.276 451 M HA 0.183 4.678 4.480 0.025 0.000 0.262 451 M C 1.014 177.309 176.300 -0.007 0.000 1.098 451 M CA 1.126 56.428 55.300 0.003 0.000 1.167 451 M CB -0.902 31.710 32.600 0.021 0.000 1.337 451 M HN 0.697 nan 8.290 nan 0.000 0.446 452 G N 1.902 110.704 108.800 0.003 0.000 2.343 452 G HA2 0.376 4.351 3.960 0.025 0.000 0.254 452 G HA3 0.376 4.351 3.960 0.025 0.000 0.254 452 G C -0.324 174.571 174.900 -0.008 0.000 1.277 452 G CA -0.377 44.721 45.100 -0.003 0.000 0.909 452 G HN 0.328 nan 8.290 nan 0.000 0.502 453 I N 2.997 123.555 120.570 -0.019 0.000 2.307 453 I HA 0.093 4.278 4.170 0.025 0.000 0.287 453 I C -0.233 175.873 176.117 -0.018 0.000 1.054 453 I CA -0.480 60.812 61.300 -0.014 0.000 1.218 453 I CB 0.790 38.781 38.000 -0.015 0.000 1.398 453 I HN 0.341 nan 8.210 nan 0.000 0.475 454 D N 4.667 125.062 120.400 -0.009 0.000 2.351 454 D HA 0.075 4.730 4.640 0.025 0.000 0.251 454 D C 1.219 177.520 176.300 0.001 0.000 1.137 454 D CA 0.216 54.208 54.000 -0.013 0.000 0.879 454 D CB 1.897 42.697 40.800 -0.001 0.000 1.181 454 D HN 0.550 nan 8.370 nan 0.000 0.448 455 T N -0.668 113.883 114.554 -0.005 0.000 3.060 455 T HA -0.053 4.312 4.350 0.025 0.000 0.249 455 T C 0.845 175.553 174.700 0.015 0.000 1.079 455 T CA -0.511 61.590 62.100 0.002 0.000 1.013 455 T CB 0.158 69.020 68.868 -0.009 0.000 0.975 455 T HN 0.111 nan 8.240 nan 0.000 0.518 456 N N 3.396 122.107 118.700 0.019 0.000 2.411 456 N HA 0.092 4.847 4.740 0.025 0.000 0.265 456 N C -1.619 173.933 175.510 0.071 0.000 1.266 456 N CA -1.537 51.540 53.050 0.045 0.000 0.889 456 N CB 1.390 39.907 38.487 0.050 0.000 1.069 456 N HN 0.068 nan 8.380 nan 0.000 0.476 457 P HA -0.071 nan 4.420 nan 0.000 0.217 457 P C -0.544 176.820 177.300 0.107 0.000 1.148 457 P CA 1.089 64.236 63.100 0.078 0.000 0.828 457 P CB 0.191 31.933 31.700 0.069 0.000 0.783 458 A N 0.445 123.320 122.820 0.091 0.000 2.312 458 A HA 0.424 4.759 4.320 0.025 0.000 0.326 458 A C 0.465 178.161 177.584 0.187 0.000 1.172 458 A CA -0.646 51.399 52.037 0.013 0.000 0.821 458 A CB 0.104 18.945 19.000 -0.265 0.000 1.166 458 A HN 0.283 nan 8.150 nan 0.000 0.493 459 N N 0.202 119.041 118.700 0.231 0.000 2.351 459 N HA 0.348 5.103 4.740 0.025 0.000 0.254 459 N C -0.852 174.818 175.510 0.268 0.000 1.241 459 N CA -0.355 52.915 53.050 0.367 0.000 0.883 459 N CB 0.352 39.005 38.487 0.278 0.000 1.202 459 N HN 0.688 nan 8.380 nan 0.000 0.512 460 Y N -0.936 119.212 120.300 -0.254 0.000 2.597 460 Y HA 0.683 5.248 4.550 0.024 0.000 0.340 460 Y C -1.479 173.789 175.900 -1.053 0.000 1.097 460 Y CA -1.352 56.431 58.100 -0.530 0.000 1.037 460 Y CB 1.050 39.372 38.460 -0.230 0.000 1.305 460 Y HN 0.073 nan 8.280 nan 0.000 0.463 461 E N 0.992 120.692 120.200 -0.834 0.000 2.356 461 E HA 0.649 5.014 4.350 0.025 0.000 0.275 461 E C -3.170 173.323 176.600 -0.178 0.000 0.904 461 E CA -2.038 53.990 56.400 -0.620 0.000 0.757 461 E CB 1.739 31.027 29.700 -0.686 0.000 1.232 461 E HN 0.580 nan 8.360 nan 0.000 0.442 462 P HA 0.288 nan 4.420 nan 0.000 0.275 462 P C -1.290 175.957 177.300 -0.088 0.000 1.228 462 P CA -0.459 62.571 63.100 -0.117 0.000 0.786 462 P CB 0.542 32.211 31.700 -0.052 0.000 0.927 463 N N -1.296 117.274 118.700 -0.216 0.000 2.284 463 N HA 0.340 5.095 4.740 0.025 0.000 0.289 463 N C 0.260 175.716 175.510 -0.091 0.000 1.179 463 N CA -0.772 52.160 53.050 -0.198 0.000 0.774 463 N CB 1.465 39.518 38.487 -0.724 0.000 1.548 463 N HN 0.190 nan 8.380 nan 0.000 0.473 464 S N 0.589 116.287 115.700 -0.003 0.000 2.497 464 S HA 0.004 4.489 4.470 0.025 0.000 0.218 464 S C 1.574 176.183 174.600 0.016 0.000 1.023 464 S CA 0.003 58.202 58.200 -0.000 0.000 0.913 464 S CB -0.779 62.434 63.200 0.022 0.000 0.800 464 S HN 0.714 nan 8.310 nan 0.000 0.505 465 I N -0.447 120.142 120.570 0.031 0.000 2.756 465 I HA 0.163 4.348 4.170 0.025 0.000 0.262 465 I C 1.277 177.424 176.117 0.050 0.000 1.225 465 I CA 1.377 62.707 61.300 0.051 0.000 1.472 465 I CB -0.396 37.654 38.000 0.084 0.000 1.094 465 I HN 0.181 nan 8.210 nan 0.000 0.454 466 N N 1.255 119.979 118.700 0.040 0.000 2.338 466 N HA 0.042 4.797 4.740 0.025 0.000 0.251 466 N C -0.128 175.484 175.510 0.170 0.000 1.199 466 N CA -0.054 53.062 53.050 0.110 0.000 0.879 466 N CB -0.084 38.483 38.487 0.133 0.000 1.159 466 N HN 0.214 nan 8.380 nan 0.000 0.514 467 D N 0.684 121.131 120.400 0.079 0.000 2.751 467 D HA -0.257 4.398 4.640 0.025 0.000 0.233 467 D C -0.018 176.162 176.300 -0.200 0.000 1.149 467 D CA 1.005 55.012 54.000 0.011 0.000 0.682 467 D CB -1.372 39.512 40.800 0.141 0.000 1.068 467 D HN 0.486 nan 8.370 nan 0.000 0.429 468 N N -1.676 116.941 118.700 -0.138 0.000 2.753 468 N HA -0.251 4.504 4.740 0.025 0.000 0.251 468 N C -0.733 174.695 175.510 -0.136 0.000 1.097 468 N CA 1.450 54.391 53.050 -0.183 0.000 0.786 468 N CB -1.278 37.057 38.487 -0.253 0.000 1.137 468 N HN 0.551 nan 8.380 nan 0.000 0.566 469 W N 0.961 122.309 121.300 0.080 0.000 2.313 469 W HA 0.418 5.093 4.660 0.024 0.000 0.328 469 W C -1.628 174.934 176.519 0.071 0.000 1.197 469 W CA -1.630 55.746 57.345 0.052 0.000 1.235 469 W CB 0.505 29.946 29.460 -0.031 0.000 1.158 469 W HN -0.026 nan 8.180 nan 0.000 0.578 470 P HA 0.163 nan 4.420 nan 0.000 0.275 470 P C -0.695 176.735 177.300 0.216 0.000 1.228 470 P CA -0.078 63.164 63.100 0.237 0.000 0.786 470 P CB 0.863 32.536 31.700 -0.046 0.000 0.927 471 R N 1.349 121.958 120.500 0.182 0.000 2.540 471 R HA 0.313 4.668 4.340 0.025 0.000 0.287 471 R C 0.359 176.692 176.300 0.055 0.000 0.980 471 R CA -0.828 55.258 56.100 -0.022 0.000 0.966 471 R CB 1.077 31.146 30.300 -0.384 0.000 1.106 471 R HN 0.488 nan 8.270 nan 0.000 0.480 472 E N 0.800 121.023 120.200 0.037 0.000 2.436 472 E HA -0.008 4.357 4.350 0.025 0.000 0.262 472 E C -0.527 176.095 176.600 0.037 0.000 1.063 472 E CA 0.773 57.203 56.400 0.051 0.000 0.944 472 E CB 0.574 30.295 29.700 0.035 0.000 0.950 472 E HN 0.366 nan 8.360 nan 0.000 0.444 473 T N 3.797 118.384 114.554 0.056 0.000 2.840 473 T HA 0.315 4.680 4.350 0.025 0.000 0.287 473 T C -2.433 172.291 174.700 0.041 0.000 0.991 473 T CA -1.605 60.527 62.100 0.053 0.000 0.964 473 T CB 1.356 70.267 68.868 0.072 0.000 0.954 473 T HN 0.252 nan 8.240 nan 0.000 0.438 474 P HA 0.193 nan 4.420 nan 0.000 0.268 474 P C -2.477 174.829 177.300 0.011 0.000 1.208 474 P CA -1.183 61.924 63.100 0.013 0.000 0.777 474 P CB -0.457 31.246 31.700 0.005 0.000 0.875 475 P HA 0.284 nan 4.420 nan 0.000 0.270 475 P C 0.109 177.397 177.300 -0.020 0.000 1.223 475 P CA 0.396 63.481 63.100 -0.026 0.000 0.785 475 P CB 0.574 32.240 31.700 -0.057 0.000 0.923 476 G N 0.639 109.425 108.800 -0.022 0.000 2.488 476 G HA2 0.365 4.340 3.960 0.025 0.000 0.301 476 G HA3 0.365 4.340 3.960 0.025 0.000 0.301 476 G C -2.569 172.320 174.900 -0.019 0.000 1.339 476 G CA -0.680 44.411 45.100 -0.016 0.000 0.803 476 G HN 0.157 nan 8.290 nan 0.000 0.482 477 P HA 0.122 nan 4.420 nan 0.000 0.223 477 P C 0.117 177.411 177.300 -0.009 0.000 1.151 477 P CA 1.091 64.181 63.100 -0.016 0.000 0.787 477 P CB 0.365 32.058 31.700 -0.012 0.000 0.788 478 K N -0.830 119.572 120.400 0.002 0.000 2.557 478 K HA 0.265 4.600 4.320 0.025 0.000 0.261 478 K C -0.100 176.514 176.600 0.025 0.000 0.932 478 K CA -0.834 55.461 56.287 0.014 0.000 0.829 478 K CB 2.192 34.701 32.500 0.016 0.000 1.358 478 K HN -0.326 nan 8.250 nan 0.000 0.430 479 R N -0.650 119.872 120.500 0.037 0.000 3.863 479 R HA -0.153 4.202 4.340 0.025 0.000 0.313 479 R C 0.131 176.460 176.300 0.049 0.000 1.202 479 R CA 1.116 57.245 56.100 0.049 0.000 0.852 479 R CB -2.175 28.153 30.300 0.046 0.000 1.292 479 R HN 0.943 nan 8.270 nan 0.000 0.519 480 G N -0.697 108.126 108.800 0.039 0.000 2.502 480 G HA2 0.585 4.560 3.960 0.025 0.000 0.305 480 G HA3 0.585 4.560 3.960 0.025 0.000 0.305 480 G C 0.385 175.318 174.900 0.055 0.000 1.190 480 G CA 0.085 45.207 45.100 0.035 0.000 0.933 480 G HN 0.245 nan 8.290 nan 0.000 0.503 481 G N -1.192 107.643 108.800 0.057 0.000 2.544 481 G HA2 0.377 4.352 3.960 0.025 0.000 0.242 481 G HA3 0.377 4.352 3.960 0.025 0.000 0.242 481 G C -0.564 174.392 174.900 0.093 0.000 1.247 481 G CA -0.485 44.670 45.100 0.092 0.000 0.840 481 G HN 0.467 nan 8.290 nan 0.000 0.578 482 F N 0.655 120.621 119.950 0.027 0.000 2.467 482 F HA 0.390 4.932 4.527 0.026 0.000 0.362 482 F C 0.542 176.358 175.800 0.026 0.000 1.090 482 F CA -0.255 57.757 58.000 0.019 0.000 1.202 482 F CB 0.868 39.883 39.000 0.024 0.000 1.113 482 F HN 0.454 nan 8.300 nan 0.000 0.541 483 E N 4.092 123.939 120.200 -0.589 0.000 2.256 483 E HA 0.310 4.675 4.350 0.025 0.000 0.268 483 E C -1.129 175.140 176.600 -0.552 0.000 0.877 483 E CA -0.810 55.388 56.400 -0.337 0.000 0.757 483 E CB 1.637 31.232 29.700 -0.175 0.000 1.183 483 E HN 0.621 nan 8.360 nan 0.000 0.418 484 S N 2.505 118.113 115.700 -0.153 0.000 2.564 484 S HA 0.005 4.490 4.470 0.025 0.000 0.278 484 S C -0.564 174.021 174.600 -0.024 0.000 1.333 484 S CA -0.325 57.868 58.200 -0.013 0.000 1.048 484 S CB 0.122 63.435 63.200 0.188 0.000 0.900 484 S HN 0.464 nan 8.310 nan 0.000 0.505 485 Y N 2.677 122.911 120.300 -0.110 0.000 2.717 485 Y HA -0.035 4.530 4.550 0.025 0.000 0.330 485 Y C 0.894 176.775 175.900 -0.032 0.000 1.217 485 Y CA 0.268 58.315 58.100 -0.088 0.000 1.506 485 Y CB 0.173 38.578 38.460 -0.092 0.000 1.268 485 Y HN 0.588 nan 8.280 nan 0.000 0.561 486 Q N 5.403 124.824 119.800 -0.633 0.000 3.254 486 Q HA 0.009 4.364 4.340 0.025 0.000 0.315 486 Q C -0.199 175.501 176.000 -0.501 0.000 1.405 486 Q CA -0.041 55.505 55.803 -0.429 0.000 0.966 486 Q CB -0.184 28.367 28.738 -0.312 0.000 1.706 486 Q HN 0.656 nan 8.270 nan 0.000 0.525 487 E N 1.437 121.424 120.200 -0.356 0.000 2.392 487 E HA 0.004 4.369 4.350 0.025 0.000 0.264 487 E C -0.326 176.244 176.600 -0.051 0.000 1.024 487 E CA -0.374 55.948 56.400 -0.129 0.000 0.903 487 E CB 0.701 30.472 29.700 0.118 0.000 0.963 487 E HN 0.245 nan 8.360 nan 0.000 0.432 488 R N 3.210 123.704 120.500 -0.009 0.000 2.340 488 R HA 0.225 4.580 4.340 0.025 0.000 0.300 488 R C -1.259 175.065 176.300 0.039 0.000 1.069 488 R CA -0.452 55.652 56.100 0.007 0.000 0.984 488 R CB 0.771 31.083 30.300 0.019 0.000 1.003 488 R HN 0.321 nan 8.270 nan 0.000 0.459 489 V N 4.414 124.344 119.914 0.027 0.000 2.483 489 V HA 0.421 4.556 4.120 0.025 0.000 0.295 489 V C -0.243 175.865 176.094 0.024 0.000 1.035 489 V CA -0.476 61.844 62.300 0.033 0.000 0.896 489 V CB 1.480 33.320 31.823 0.027 0.000 0.986 489 V HN 0.842 nan 8.190 nan 0.000 0.447 490 E N 2.375 122.591 120.200 0.026 0.000 2.343 490 E HA 0.605 4.970 4.350 0.025 0.000 0.286 490 E C -0.534 176.073 176.600 0.011 0.000 0.915 490 E CA -0.023 56.386 56.400 0.015 0.000 0.784 490 E CB 2.163 31.872 29.700 0.016 0.000 1.251 490 E HN 0.995 nan 8.360 nan 0.000 0.407 491 G N 2.857 111.659 108.800 0.002 0.000 2.341 491 G HA2 0.063 4.038 3.960 0.025 0.000 0.293 491 G HA3 0.063 4.038 3.960 0.025 0.000 0.293 491 G C -1.461 173.434 174.900 -0.009 0.000 1.298 491 G CA -0.923 44.174 45.100 -0.005 0.000 0.868 491 G HN 0.396 nan 8.290 nan 0.000 0.540 492 N N 0.157 118.849 118.700 -0.014 0.000 2.489 492 N HA 0.384 5.139 4.740 0.025 0.000 0.284 492 N C -0.178 175.320 175.510 -0.021 0.000 1.158 492 N CA -0.401 52.639 53.050 -0.016 0.000 0.965 492 N CB 1.185 39.661 38.487 -0.018 0.000 1.195 492 N HN 0.490 nan 8.380 nan 0.000 0.506 493 K N 0.862 121.249 120.400 -0.022 0.000 2.307 493 K HA 0.150 4.485 4.320 0.025 0.000 0.285 493 K C -0.338 176.241 176.600 -0.035 0.000 1.073 493 K CA -0.084 56.186 56.287 -0.028 0.000 0.996 493 K CB -0.226 32.259 32.500 -0.026 0.000 0.994 493 K HN 0.326 nan 8.250 nan 0.000 0.452 494 V N 0.282 120.171 119.914 -0.042 0.000 2.876 494 V HA 0.475 4.610 4.120 0.025 0.000 0.312 494 V C -0.438 175.617 176.094 -0.065 0.000 1.085 494 V CA -1.349 60.921 62.300 -0.050 0.000 0.945 494 V CB 1.998 33.792 31.823 -0.047 0.000 1.017 494 V HN 0.596 nan 8.190 nan 0.000 0.428 495 R N 2.429 122.887 120.500 -0.071 0.000 2.522 495 R HA 0.604 4.959 4.340 0.025 0.000 0.290 495 R C -0.488 175.766 176.300 -0.077 0.000 1.216 495 R CA -0.127 55.919 56.100 -0.090 0.000 1.250 495 R CB 0.776 31.009 30.300 -0.111 0.000 1.143 495 R HN 0.940 nan 8.270 nan 0.000 0.553 496 E N 1.929 122.080 120.200 -0.083 0.000 2.335 496 E HA 0.241 4.606 4.350 0.025 0.000 0.280 496 E C -1.279 175.254 176.600 -0.112 0.000 0.918 496 E CA -1.016 55.337 56.400 -0.078 0.000 0.765 496 E CB 1.622 31.282 29.700 -0.067 0.000 1.218 496 E HN 0.127 nan 8.360 nan 0.000 0.425 497 R N 1.685 122.123 120.500 -0.104 0.000 2.390 497 R HA 0.256 4.611 4.340 0.025 0.000 0.291 497 R C -0.548 175.634 176.300 -0.197 0.000 1.070 497 R CA 0.025 56.023 56.100 -0.171 0.000 1.014 497 R CB 1.289 31.548 30.300 -0.067 0.000 1.007 497 R HN 0.399 nan 8.270 nan 0.000 0.466 498 S N 4.405 119.881 115.700 -0.375 0.000 2.549 498 S HA 0.125 4.610 4.470 0.025 0.000 0.286 498 S C -1.582 172.995 174.600 -0.038 0.000 1.314 498 S CA -1.196 56.877 58.200 -0.212 0.000 1.062 498 S CB 0.693 63.730 63.200 -0.272 0.000 0.865 498 S HN 0.540 nan 8.310 nan 0.000 0.498 499 P HA -0.081 nan 4.420 nan 0.000 0.221 499 P C 1.415 178.765 177.300 0.084 0.000 1.145 499 P CA 1.043 64.164 63.100 0.036 0.000 0.795 499 P CB -0.053 31.656 31.700 0.015 0.000 0.775 500 S N -2.137 113.652 115.700 0.149 0.000 2.474 500 S HA -0.085 4.400 4.470 0.025 0.000 0.235 500 S C 1.414 176.180 174.600 0.276 0.000 0.997 500 S CA 0.741 59.062 58.200 0.202 0.000 0.949 500 S CB -1.317 62.036 63.200 0.255 0.000 0.766 500 S HN -0.018 nan 8.310 nan 0.000 0.517 501 F N 2.287 122.229 119.950 -0.013 0.000 2.789 501 F HA 0.384 4.925 4.527 0.025 0.000 0.300 501 F C 1.964 177.701 175.800 -0.105 0.000 1.132 501 F CA -0.772 57.216 58.000 -0.019 0.000 1.404 501 F CB -0.586 38.434 39.000 0.033 0.000 1.114 501 F HN 0.356 nan 8.300 nan 0.000 0.584 502 G N 0.417 109.214 108.800 -0.004 0.000 3.574 502 G HA2 0.101 4.076 3.960 0.025 0.000 0.262 502 G HA3 0.101 4.076 3.960 0.025 0.000 0.262 502 G C -0.025 174.447 174.900 -0.713 0.000 1.231 502 G CA 0.115 45.031 45.100 -0.307 0.000 1.608 502 G HN 0.046 nan 8.290 nan 0.000 0.628 503 E N -0.076 119.647 120.200 -0.795 0.000 2.292 503 E HA 0.384 4.749 4.350 0.025 0.000 0.272 503 E C -0.902 175.291 176.600 -0.678 0.000 0.881 503 E CA -0.770 55.229 56.400 -0.667 0.000 0.754 503 E CB 1.694 31.251 29.700 -0.238 0.000 1.201 503 E HN 0.166 nan 8.360 nan 0.000 0.425 504 Y N 2.212 122.322 120.300 -0.317 0.000 2.425 504 Y HA 0.195 4.760 4.550 0.025 0.000 0.261 504 Y C 0.756 176.406 175.900 -0.416 0.000 1.084 504 Y CA -0.106 57.709 58.100 -0.474 0.000 1.248 504 Y CB 0.392 38.405 38.460 -0.745 0.000 1.270 504 Y HN 0.417 nan 8.280 nan 0.000 0.524 505 Y N -1.920 118.468 120.300 0.146 0.000 2.483 505 Y HA 0.194 4.759 4.550 0.025 0.000 0.258 505 Y C 2.212 178.174 175.900 0.104 0.000 1.083 505 Y CA 0.183 58.361 58.100 0.130 0.000 1.283 505 Y CB -0.145 38.394 38.460 0.131 0.000 1.178 505 Y HN -0.143 nan 8.280 nan 0.000 0.515 506 S N -0.415 115.416 115.700 0.218 0.000 2.383 506 S HA -0.165 4.320 4.470 0.025 0.000 0.227 506 S C 1.450 176.119 174.600 0.116 0.000 1.026 506 S CA 1.549 59.857 58.200 0.179 0.000 0.981 506 S CB -0.263 63.048 63.200 0.185 0.000 0.818 506 S HN 0.489 nan 8.310 nan 0.000 0.472 507 H N 1.321 120.308 119.070 -0.138 0.000 2.326 507 H HA 0.047 4.618 4.556 0.025 0.000 0.301 507 H C -0.620 174.507 175.328 -0.335 0.000 1.081 507 H CA 1.119 56.924 56.048 -0.405 0.000 1.334 507 H CB -1.786 27.474 29.762 -0.837 0.000 1.385 507 H HN 0.302 nan 8.280 nan 0.000 0.504 508 P HA -0.207 nan 4.420 nan 0.000 0.216 508 P C 1.540 179.027 177.300 0.311 0.000 1.157 508 P CA 1.800 65.059 63.100 0.264 0.000 0.880 508 P CB 0.059 31.937 31.700 0.296 0.000 0.791 509 R N -0.453 120.181 120.500 0.224 0.000 2.083 509 R HA -0.171 4.184 4.340 0.025 0.000 0.237 509 R C 2.207 178.640 176.300 0.222 0.000 1.137 509 R CA 1.477 57.711 56.100 0.223 0.000 0.951 509 R CB -1.154 29.239 30.300 0.156 0.000 0.851 509 R HN 0.068 nan 8.270 nan 0.000 0.434 510 L N 0.401 121.694 121.223 0.117 0.000 2.079 510 L HA -0.145 4.210 4.340 0.025 0.000 0.210 510 L C 1.977 178.915 176.870 0.113 0.000 1.081 510 L CA 1.726 56.598 54.840 0.053 0.000 0.752 510 L CB -0.657 41.351 42.059 -0.085 0.000 0.896 510 L HN 0.258 nan 8.230 nan 0.000 0.433 511 F N -0.884 119.102 119.950 0.061 0.000 2.113 511 F HA -0.255 4.288 4.527 0.025 0.000 0.297 511 F C 2.324 178.140 175.800 0.027 0.000 1.103 511 F CA 2.050 60.068 58.000 0.030 0.000 1.248 511 F CB -0.608 38.440 39.000 0.079 0.000 0.999 511 F HN 0.366 nan 8.300 nan 0.000 0.475 512 W N 1.477 122.791 121.300 0.025 0.000 2.333 512 W HA -0.260 4.415 4.660 0.025 0.000 0.316 512 W C 1.771 178.179 176.519 -0.184 0.000 1.215 512 W CA 1.851 59.148 57.345 -0.081 0.000 1.278 512 W CB -0.768 28.725 29.460 0.054 0.000 1.154 512 W HN 0.084 nan 8.180 nan 0.000 0.486 513 L N 1.198 122.370 121.223 -0.084 0.000 2.265 513 L HA -0.191 4.164 4.340 0.025 0.000 0.215 513 L C 2.392 179.078 176.870 -0.308 0.000 1.117 513 L CA 1.244 55.950 54.840 -0.223 0.000 0.782 513 L CB -0.714 41.335 42.059 -0.017 0.000 0.914 513 L HN -0.117 nan 8.230 nan 0.000 0.441 514 S N -1.550 113.951 115.700 -0.330 0.000 2.527 514 S HA 0.035 4.520 4.470 0.025 0.000 0.222 514 S C 0.763 175.077 174.600 -0.477 0.000 0.985 514 S CA 0.150 58.145 58.200 -0.341 0.000 0.921 514 S CB 0.026 63.060 63.200 -0.278 0.000 0.772 514 S HN 0.304 nan 8.310 nan 0.000 0.529 515 Q N 2.115 121.527 119.800 -0.647 0.000 2.260 515 Q HA 0.290 4.645 4.340 0.025 0.000 0.238 515 Q C 0.639 176.246 176.000 -0.655 0.000 0.948 515 Q CA -0.106 55.280 55.803 -0.696 0.000 0.895 515 Q CB 0.376 28.638 28.738 -0.793 0.000 1.218 515 Q HN 0.423 nan 8.270 nan 0.000 0.470 516 T N -1.985 112.135 114.554 -0.724 0.000 2.766 516 T HA 0.157 4.522 4.350 0.025 0.000 0.295 516 T C -1.766 172.457 174.700 -0.794 0.000 1.024 516 T CA -1.264 60.359 62.100 -0.795 0.000 1.018 516 T CB 0.282 68.383 68.868 -1.279 0.000 1.002 516 T HN 0.227 nan 8.240 nan 0.000 0.532 517 P HA 0.027 nan 4.420 nan 0.000 0.219 517 P C 1.405 178.486 177.300 -0.365 0.000 1.150 517 P CA 0.826 63.691 63.100 -0.392 0.000 0.814 517 P CB -0.252 31.339 31.700 -0.182 0.000 0.787 518 F N 0.086 119.847 119.950 -0.314 0.000 2.186 518 F HA -0.001 4.541 4.527 0.025 0.000 0.299 518 F C 1.812 177.271 175.800 -0.568 0.000 1.090 518 F CA 0.957 58.709 58.000 -0.414 0.000 1.307 518 F CB -1.627 37.118 39.000 -0.425 0.000 1.019 518 F HN -0.106 nan 8.300 nan 0.000 0.489 519 E N 0.522 120.168 120.200 -0.923 0.000 2.106 519 E HA -0.209 4.156 4.350 0.025 0.000 0.192 519 E C 2.236 178.656 176.600 -0.300 0.000 0.984 519 E CA 1.412 57.491 56.400 -0.535 0.000 0.806 519 E CB -0.289 29.042 29.700 -0.614 0.000 0.750 519 E HN 0.628 nan 8.360 nan 0.000 0.458 520 Q N 0.314 119.854 119.800 -0.434 0.000 2.084 520 Q HA -0.206 4.149 4.340 0.025 0.000 0.202 520 Q C 2.253 178.298 176.000 0.075 0.000 0.978 520 Q CA 1.233 56.825 55.803 -0.352 0.000 0.844 520 Q CB -0.143 28.121 28.738 -0.791 0.000 0.898 520 Q HN -0.010 nan 8.270 nan 0.000 0.426 521 R N 0.599 121.112 120.500 0.021 0.000 2.096 521 R HA -0.178 4.177 4.340 0.025 0.000 0.240 521 R C 1.607 178.103 176.300 0.327 0.000 1.139 521 R CA 2.012 58.217 56.100 0.175 0.000 0.952 521 R CB -0.609 29.768 30.300 0.129 0.000 0.854 521 R HN 0.504 nan 8.270 nan 0.000 0.436 522 H N -0.979 118.192 119.070 0.168 0.000 2.423 522 H HA 0.011 4.582 4.556 0.025 0.000 0.297 522 H C 2.037 177.492 175.328 0.211 0.000 1.075 522 H CA 1.087 57.252 56.048 0.194 0.000 1.342 522 H CB 0.053 29.936 29.762 0.202 0.000 1.395 522 H HN 0.189 nan 8.280 nan 0.000 0.530 523 I N 0.203 121.000 120.570 0.379 0.000 2.179 523 I HA -0.248 3.937 4.170 0.025 0.000 0.242 523 I C 2.322 178.746 176.117 0.513 0.000 1.088 523 I CA 0.771 62.335 61.300 0.440 0.000 1.357 523 I CB -0.140 38.217 38.000 0.594 0.000 1.051 523 I HN 0.067 nan 8.210 nan 0.000 0.409 524 V N 0.816 121.015 119.914 0.475 0.000 2.332 524 V HA -0.317 3.818 4.120 0.025 0.000 0.248 524 V C 1.982 178.259 176.094 0.304 0.000 1.055 524 V CA 2.051 64.574 62.300 0.373 0.000 1.038 524 V CB -0.652 31.345 31.823 0.290 0.000 0.651 524 V HN 0.417 nan 8.190 nan 0.000 0.450 525 D N 0.223 120.785 120.400 0.271 0.000 2.183 525 D HA -0.053 4.601 4.640 0.025 0.000 0.203 525 D C 2.167 178.553 176.300 0.142 0.000 0.969 525 D CA 1.373 55.495 54.000 0.204 0.000 0.842 525 D CB -0.456 40.465 40.800 0.202 0.000 0.957 525 D HN 0.466 nan 8.370 nan 0.000 0.484 526 G N 0.170 109.038 108.800 0.113 0.000 2.414 526 G HA2 -0.248 3.727 3.960 0.025 0.000 0.215 526 G HA3 -0.248 3.727 3.960 0.025 0.000 0.215 526 G C 1.435 176.330 174.900 -0.008 0.000 1.188 526 G CA 0.181 45.255 45.100 -0.043 0.000 0.783 526 G HN 0.156 nan 8.290 nan 0.000 0.537 527 F N 1.897 121.886 119.950 0.066 0.000 2.091 527 F HA -0.138 4.404 4.527 0.025 0.000 0.299 527 F C 3.177 178.890 175.800 -0.144 0.000 1.103 527 F CA 1.758 59.726 58.000 -0.054 0.000 1.228 527 F CB -0.417 38.563 39.000 -0.034 0.000 0.984 527 F HN 0.095 nan 8.300 nan 0.000 0.477 528 S N -0.400 115.392 115.700 0.154 0.000 2.368 528 S HA -0.181 4.304 4.470 0.025 0.000 0.224 528 S C 1.860 176.468 174.600 0.014 0.000 1.029 528 S CA 1.122 59.357 58.200 0.059 0.000 0.988 528 S CB -0.752 62.509 63.200 0.101 0.000 0.838 528 S HN 0.388 nan 8.310 nan 0.000 0.462 529 F N 2.589 122.492 119.950 -0.079 0.000 2.113 529 F HA -0.088 4.454 4.527 0.025 0.000 0.297 529 F C 2.391 178.115 175.800 -0.127 0.000 1.103 529 F CA 1.440 59.379 58.000 -0.101 0.000 1.248 529 F CB -0.221 38.651 39.000 -0.213 0.000 0.999 529 F HN 0.107 nan 8.300 nan 0.000 0.475 530 E N 0.602 120.768 120.200 -0.057 0.000 2.051 530 E HA -0.211 4.154 4.350 0.025 0.000 0.192 530 E C 2.363 178.753 176.600 -0.349 0.000 0.991 530 E CA 1.634 57.974 56.400 -0.101 0.000 0.799 530 E CB -0.573 29.197 29.700 0.117 0.000 0.748 530 E HN 0.473 nan 8.360 nan 0.000 0.449 531 L N 1.398 122.324 121.223 -0.495 0.000 2.191 531 L HA -0.139 4.216 4.340 0.025 0.000 0.212 531 L C 2.676 179.368 176.870 -0.297 0.000 1.103 531 L CA 1.120 55.654 54.840 -0.509 0.000 0.769 531 L CB -0.444 41.339 42.059 -0.459 0.000 0.908 531 L HN 0.138 nan 8.230 nan 0.000 0.438 532 S N -0.878 114.658 115.700 -0.274 0.000 2.481 532 S HA -0.089 4.396 4.470 0.025 0.000 0.231 532 S C 1.736 176.204 174.600 -0.220 0.000 0.996 532 S CA 0.517 58.582 58.200 -0.225 0.000 0.942 532 S CB -0.075 62.991 63.200 -0.222 0.000 0.768 532 S HN 0.261 nan 8.310 nan 0.000 0.520 533 K N 1.302 121.550 120.400 -0.254 0.000 2.404 533 K HA 0.330 4.665 4.320 0.025 0.000 0.194 533 K C -0.151 176.438 176.600 -0.018 0.000 1.023 533 K CA -0.009 56.199 56.287 -0.133 0.000 1.094 533 K CB 0.141 32.561 32.500 -0.133 0.000 0.841 533 K HN 0.318 nan 8.250 nan 0.000 0.523 534 V N 2.146 122.024 119.914 -0.060 0.000 2.408 534 V HA 0.019 4.154 4.120 0.025 0.000 0.267 534 V C 1.642 177.718 176.094 -0.030 0.000 1.047 534 V CA -0.109 62.183 62.300 -0.013 0.000 0.937 534 V CB 1.372 33.152 31.823 -0.070 0.000 0.999 534 V HN -0.131 nan 8.190 nan 0.000 0.472 535 V N 4.953 124.875 119.914 0.013 0.000 2.488 535 V HA 0.004 4.138 4.120 0.025 0.000 0.246 535 V C 1.304 177.389 176.094 -0.014 0.000 1.046 535 V CA 1.061 63.368 62.300 0.012 0.000 1.053 535 V CB -0.463 31.388 31.823 0.045 0.000 0.679 535 V HN 0.743 nan 8.190 nan 0.000 0.458 536 R N 1.063 121.532 120.500 -0.051 0.000 2.242 536 R HA 0.181 4.536 4.340 0.025 0.000 0.334 536 R C -1.689 174.507 176.300 -0.174 0.000 1.071 536 R CA -1.370 54.677 56.100 -0.088 0.000 0.922 536 R CB 0.661 30.853 30.300 -0.180 0.000 1.023 536 R HN 0.237 nan 8.270 nan 0.000 0.458 537 P HA -0.188 nan 4.420 nan 0.000 0.220 537 P C 0.640 177.904 177.300 -0.061 0.000 1.148 537 P CA 1.075 64.148 63.100 -0.046 0.000 0.803 537 P CB 0.013 31.722 31.700 0.015 0.000 0.782 538 Y N -1.389 118.911 120.300 0.001 0.000 2.352 538 Y HA -0.062 4.502 4.550 0.025 0.000 0.292 538 Y C 1.935 177.841 175.900 0.011 0.000 1.136 538 Y CA 0.680 58.781 58.100 0.002 0.000 1.227 538 Y CB -1.732 36.730 38.460 0.003 0.000 0.991 538 Y HN -0.122 nan 8.280 nan 0.000 0.545 539 I N 0.873 120.987 120.570 -0.760 0.000 2.252 539 I HA -0.238 3.947 4.170 0.025 0.000 0.245 539 I C 2.520 178.538 176.117 -0.166 0.000 1.102 539 I CA 1.343 62.380 61.300 -0.438 0.000 1.385 539 I CB -0.403 37.326 38.000 -0.450 0.000 1.064 539 I HN 0.183 nan 8.210 nan 0.000 0.414 540 R N 0.842 121.238 120.500 -0.173 0.000 2.091 540 R HA -0.200 4.155 4.340 0.025 0.000 0.238 540 R C 2.142 178.392 176.300 -0.084 0.000 1.136 540 R CA 1.580 57.596 56.100 -0.139 0.000 0.959 540 R CB -0.437 29.780 30.300 -0.138 0.000 0.856 540 R HN 0.468 nan 8.270 nan 0.000 0.437 541 E N 0.442 120.615 120.200 -0.046 0.000 2.051 541 E HA -0.178 4.186 4.350 0.025 0.000 0.192 541 E C 2.164 178.770 176.600 0.010 0.000 0.991 541 E CA 1.117 57.512 56.400 -0.008 0.000 0.799 541 E CB -0.043 29.676 29.700 0.032 0.000 0.748 541 E HN 0.279 nan 8.360 nan 0.000 0.449 542 R N 0.311 120.832 120.500 0.035 0.000 2.096 542 R HA -0.122 4.233 4.340 0.025 0.000 0.235 542 R C 2.420 178.748 176.300 0.047 0.000 1.127 542 R CA 1.142 57.276 56.100 0.057 0.000 0.968 542 R CB -0.318 30.035 30.300 0.087 0.000 0.861 542 R HN 0.061 nan 8.270 nan 0.000 0.440 543 V N 0.306 120.241 119.914 0.036 0.000 2.358 543 V HA -0.206 3.929 4.120 0.025 0.000 0.246 543 V C 2.296 178.381 176.094 -0.016 0.000 1.047 543 V CA 1.531 63.867 62.300 0.061 0.000 1.035 543 V CB -0.303 31.574 31.823 0.090 0.000 0.658 543 V HN 0.130 nan 8.190 nan 0.000 0.452 544 V N 0.502 120.379 119.914 -0.061 0.000 2.332 544 V HA -0.333 3.801 4.120 0.025 0.000 0.248 544 V C 2.310 178.365 176.094 -0.066 0.000 1.055 544 V CA 2.521 64.761 62.300 -0.100 0.000 1.038 544 V CB -0.723 31.043 31.823 -0.094 0.000 0.651 544 V HN 0.660 nan 8.190 nan 0.000 0.450 545 D N -0.583 119.811 120.400 -0.010 0.000 2.133 545 D HA -0.236 4.419 4.640 0.025 0.000 0.195 545 D C 2.275 178.650 176.300 0.125 0.000 0.997 545 D CA 1.651 55.676 54.000 0.041 0.000 0.840 545 D CB -0.065 40.780 40.800 0.076 0.000 0.947 545 D HN 0.522 nan 8.370 nan 0.000 0.452 546 Q N -0.499 119.356 119.800 0.090 0.000 2.084 546 Q HA -0.092 4.262 4.340 0.025 0.000 0.202 546 Q C 2.492 178.513 176.000 0.036 0.000 0.978 546 Q CA 0.842 56.708 55.803 0.105 0.000 0.844 546 Q CB -0.094 28.721 28.738 0.129 0.000 0.898 546 Q HN 0.414 nan 8.270 nan 0.000 0.426 547 L N 0.143 121.324 121.223 -0.071 0.000 2.127 547 L HA -0.182 4.173 4.340 0.025 0.000 0.211 547 L C 2.366 179.112 176.870 -0.208 0.000 1.089 547 L CA 0.861 55.575 54.840 -0.209 0.000 0.757 547 L CB -0.611 41.217 42.059 -0.385 0.000 0.899 547 L HN 0.208 nan 8.230 nan 0.000 0.434 548 A N -0.904 121.819 122.820 -0.161 0.000 2.119 548 A HA -0.169 4.166 4.320 0.025 0.000 0.217 548 A C 1.701 179.103 177.584 -0.305 0.000 1.153 548 A CA 1.045 52.951 52.037 -0.219 0.000 0.692 548 A CB -0.671 18.205 19.000 -0.206 0.000 0.799 548 A HN 0.444 nan 8.150 nan 0.000 0.458 549 H N -1.295 117.557 119.070 -0.364 0.000 2.548 549 H HA 0.290 4.861 4.556 0.025 0.000 0.265 549 H C 1.500 176.522 175.328 -0.512 0.000 0.969 549 H CA 0.838 56.531 56.048 -0.591 0.000 1.155 549 H CB 0.125 29.129 29.762 -1.263 0.000 1.394 549 H HN 0.496 nan 8.280 nan 0.000 0.570 550 I N -1.228 119.224 120.570 -0.196 0.000 2.900 550 I HA 0.100 4.285 4.170 0.025 0.000 0.251 550 I C -0.150 175.892 176.117 -0.125 0.000 1.102 550 I CA 0.385 61.643 61.300 -0.071 0.000 1.457 550 I CB 0.721 38.705 38.000 -0.027 0.000 1.285 550 I HN 0.085 nan 8.210 nan 0.000 0.459 551 D N -0.670 119.583 120.400 -0.244 0.000 2.871 551 D HA 0.190 4.844 4.640 0.025 0.000 0.209 551 D C 0.294 176.427 176.300 -0.279 0.000 1.292 551 D CA -0.377 53.465 54.000 -0.264 0.000 0.869 551 D CB 1.350 41.875 40.800 -0.458 0.000 1.663 551 D HN -0.142 nan 8.370 nan 0.000 0.557 552 L N 2.433 123.555 121.223 -0.168 0.000 2.083 552 L HA -0.071 4.283 4.340 0.025 0.000 0.209 552 L C 1.691 178.484 176.870 -0.129 0.000 1.083 552 L CA 1.701 56.455 54.840 -0.143 0.000 0.752 552 L CB -0.785 41.221 42.059 -0.089 0.000 0.899 552 L HN 0.632 nan 8.230 nan 0.000 0.433 553 T N 0.362 114.868 114.554 -0.080 0.000 2.674 553 T HA -0.206 4.159 4.350 0.025 0.000 0.265 553 T C 1.836 176.482 174.700 -0.090 0.000 1.039 553 T CA 1.420 63.519 62.100 -0.002 0.000 1.150 553 T CB -0.363 68.602 68.868 0.161 0.000 0.864 553 T HN 0.179 nan 8.240 nan 0.000 0.427 554 L N 1.765 122.773 121.223 -0.358 0.000 1.989 554 L HA -0.035 4.320 4.340 0.025 0.000 0.211 554 L C 2.601 179.233 176.870 -0.397 0.000 1.071 554 L CA 2.191 56.638 54.840 -0.656 0.000 0.749 554 L CB -1.219 40.005 42.059 -1.392 0.000 0.890 554 L HN 0.228 nan 8.230 nan 0.000 0.431 555 A N -1.108 121.499 122.820 -0.356 0.000 1.883 555 A HA -0.275 4.060 4.320 0.025 0.000 0.217 555 A C 2.216 179.698 177.584 -0.170 0.000 1.186 555 A CA 1.957 53.835 52.037 -0.264 0.000 0.624 555 A CB -0.694 18.171 19.000 -0.225 0.000 0.822 555 A HN 0.699 nan 8.150 nan 0.000 0.444 556 Q N -0.855 118.869 119.800 -0.126 0.000 2.124 556 Q HA -0.099 4.256 4.340 0.025 0.000 0.202 556 Q C 2.399 178.372 176.000 -0.046 0.000 0.977 556 Q CA 1.354 57.114 55.803 -0.072 0.000 0.850 556 Q CB -0.346 28.364 28.738 -0.046 0.000 0.901 556 Q HN 0.704 nan 8.270 nan 0.000 0.429 557 A N 0.101 122.900 122.820 -0.035 0.000 1.897 557 A HA -0.095 4.240 4.320 0.025 0.000 0.215 557 A C 2.286 179.871 177.584 0.002 0.000 1.181 557 A CA 1.032 53.076 52.037 0.012 0.000 0.620 557 A CB -0.477 18.562 19.000 0.065 0.000 0.821 557 A HN 0.196 nan 8.150 nan 0.000 0.443 558 V N 0.012 119.898 119.914 -0.046 0.000 2.358 558 V HA -0.222 3.913 4.120 0.025 0.000 0.246 558 V C 3.061 179.121 176.094 -0.056 0.000 1.047 558 V CA 1.810 64.080 62.300 -0.050 0.000 1.035 558 V CB -1.293 30.450 31.823 -0.133 0.000 0.658 558 V HN 0.594 nan 8.190 nan 0.000 0.452 559 A N -0.030 122.746 122.820 -0.074 0.000 1.892 559 A HA -0.316 4.019 4.320 0.025 0.000 0.218 559 A C 2.360 179.926 177.584 -0.031 0.000 1.188 559 A CA 2.436 54.438 52.037 -0.059 0.000 0.631 559 A CB -0.557 18.405 19.000 -0.063 0.000 0.822 559 A HN 0.530 nan 8.150 nan 0.000 0.447 560 K N -0.581 119.809 120.400 -0.018 0.000 2.057 560 K HA -0.188 4.147 4.320 0.025 0.000 0.207 560 K C 1.507 178.112 176.600 0.008 0.000 1.049 560 K CA 1.567 57.854 56.287 -0.001 0.000 0.931 560 K CB -0.224 32.283 32.500 0.010 0.000 0.714 560 K HN 0.424 nan 8.250 nan 0.000 0.440 561 N N 0.787 119.495 118.700 0.014 0.000 2.381 561 N HA -0.108 4.647 4.740 0.025 0.000 0.182 561 N C 1.337 176.850 175.510 0.004 0.000 1.025 561 N CA 0.871 53.935 53.050 0.024 0.000 0.888 561 N CB 0.048 38.562 38.487 0.045 0.000 0.965 561 N HN 0.275 nan 8.380 nan 0.000 0.438 562 L N -0.926 120.287 121.223 -0.017 0.000 2.607 562 L HA 0.256 4.611 4.340 0.025 0.000 0.228 562 L C 0.961 177.817 176.870 -0.024 0.000 1.123 562 L CA -0.042 54.779 54.840 -0.033 0.000 0.890 562 L CB -0.078 41.946 42.059 -0.058 0.000 1.103 562 L HN 0.084 nan 8.230 nan 0.000 0.468 563 G N 1.504 110.295 108.800 -0.013 0.000 2.198 563 G HA2 -0.285 3.690 3.960 0.025 0.000 0.260 563 G HA3 -0.285 3.690 3.960 0.025 0.000 0.260 563 G C 0.021 174.914 174.900 -0.013 0.000 1.025 563 G CA 0.092 45.187 45.100 -0.009 0.000 0.769 563 G HN 0.321 nan 8.290 nan 0.000 0.507 564 I N -0.099 120.459 120.570 -0.020 0.000 2.493 564 I HA 0.463 4.648 4.170 0.025 0.000 0.298 564 I C 0.251 176.354 176.117 -0.024 0.000 0.998 564 I CA -0.783 60.504 61.300 -0.023 0.000 1.137 564 I CB 1.912 39.892 38.000 -0.034 0.000 1.310 564 I HN 0.223 nan 8.210 nan 0.000 0.445 565 E N 6.682 126.870 120.200 -0.020 0.000 2.158 565 E HA 0.424 4.789 4.350 0.025 0.000 0.271 565 E C -1.117 175.467 176.600 -0.028 0.000 0.911 565 E CA -0.712 55.675 56.400 -0.022 0.000 0.767 565 E CB 1.290 30.981 29.700 -0.015 0.000 1.120 565 E HN 0.490 nan 8.360 nan 0.000 0.405 566 L N 3.688 124.889 121.223 -0.037 0.000 2.485 566 L HA 0.113 4.468 4.340 0.025 0.000 0.275 566 L C 1.003 177.850 176.870 -0.037 0.000 1.207 566 L CA -0.131 54.683 54.840 -0.045 0.000 0.855 566 L CB 0.372 42.396 42.059 -0.059 0.000 1.114 566 L HN 0.702 nan 8.230 nan 0.000 0.485 567 T N -2.285 112.247 114.554 -0.037 0.000 2.868 567 T HA 0.048 4.413 4.350 0.025 0.000 0.292 567 T C 0.864 175.541 174.700 -0.038 0.000 1.028 567 T CA -0.850 61.231 62.100 -0.031 0.000 1.059 567 T CB 1.048 69.900 68.868 -0.026 0.000 0.991 567 T HN 0.515 nan 8.240 nan 0.000 0.531 568 D N 1.012 121.393 120.400 -0.031 0.000 2.172 568 D HA -0.132 4.523 4.640 0.025 0.000 0.196 568 D C 1.530 177.804 176.300 -0.043 0.000 0.999 568 D CA 1.475 55.455 54.000 -0.033 0.000 0.856 568 D CB -0.254 40.532 40.800 -0.025 0.000 0.934 568 D HN 0.634 nan 8.370 nan 0.000 0.453 569 D N 0.507 120.881 120.400 -0.043 0.000 2.097 569 D HA -0.113 4.542 4.640 0.025 0.000 0.195 569 D C 2.213 178.462 176.300 -0.086 0.000 0.989 569 D CA 0.789 54.757 54.000 -0.053 0.000 0.827 569 D CB -0.307 40.469 40.800 -0.040 0.000 0.966 569 D HN 0.314 nan 8.370 nan 0.000 0.456 570 Q N -0.087 119.660 119.800 -0.088 0.000 2.096 570 Q HA -0.074 4.281 4.340 0.025 0.000 0.204 570 Q C 2.344 178.264 176.000 -0.133 0.000 0.982 570 Q CA 0.700 56.425 55.803 -0.130 0.000 0.850 570 Q CB -0.163 28.513 28.738 -0.103 0.000 0.901 570 Q HN 0.315 nan 8.270 nan 0.000 0.422 571 L N 0.760 121.927 121.223 -0.094 0.000 2.349 571 L HA -0.166 4.189 4.340 0.025 0.000 0.220 571 L C 1.139 177.959 176.870 -0.083 0.000 1.130 571 L CA 0.533 55.324 54.840 -0.082 0.000 0.791 571 L CB -0.184 41.841 42.059 -0.057 0.000 0.918 571 L HN 0.256 nan 8.230 nan 0.000 0.444 572 N N -0.502 118.145 118.700 -0.090 0.000 2.187 572 N HA 0.258 5.013 4.740 0.025 0.000 0.212 572 N C 0.261 175.710 175.510 -0.101 0.000 1.152 572 N CA -0.014 52.990 53.050 -0.078 0.000 0.872 572 N CB 0.738 39.191 38.487 -0.057 0.000 1.025 572 N HN 0.195 nan 8.380 nan 0.000 0.514 573 I N 1.625 122.100 120.570 -0.158 0.000 2.598 573 I HA -0.066 4.119 4.170 0.025 0.000 0.284 573 I C 1.242 177.269 176.117 -0.150 0.000 1.140 573 I CA 0.221 61.395 61.300 -0.210 0.000 1.420 573 I CB 0.559 38.298 38.000 -0.434 0.000 1.387 573 I HN -0.044 nan 8.210 nan 0.000 0.553 574 T N 7.403 121.899 114.554 -0.096 0.000 2.907 574 T HA 0.315 4.680 4.350 0.025 0.000 0.298 574 T C -2.014 172.655 174.700 -0.051 0.000 1.017 574 T CA -1.400 60.666 62.100 -0.056 0.000 1.118 574 T CB 0.861 69.715 68.868 -0.023 0.000 0.948 574 T HN 0.370 nan 8.240 nan 0.000 0.531 575 P HA 0.306 nan 4.420 nan 0.000 0.272 575 P C -2.485 174.834 177.300 0.032 0.000 1.230 575 P CA -1.403 61.688 63.100 -0.015 0.000 0.788 575 P CB -0.454 31.245 31.700 -0.001 0.000 0.949 576 P HA 0.250 nan 4.420 nan 0.000 0.272 576 P C -2.494 174.861 177.300 0.092 0.000 1.240 576 P CA -1.375 61.795 63.100 0.116 0.000 0.791 576 P CB -1.132 30.684 31.700 0.193 0.000 0.978 577 P HA 0.068 nan 4.420 nan 0.000 0.270 577 P C -0.235 177.113 177.300 0.080 0.000 1.223 577 P CA 0.238 63.385 63.100 0.078 0.000 0.785 577 P CB 0.093 31.841 31.700 0.080 0.000 0.923 578 D N -0.076 120.364 120.400 0.066 0.000 2.406 578 D HA 0.009 4.664 4.640 0.025 0.000 0.234 578 D C -0.097 176.249 176.300 0.076 0.000 1.196 578 D CA 0.261 54.297 54.000 0.060 0.000 0.881 578 D CB 0.192 41.022 40.800 0.050 0.000 1.205 578 D HN -0.039 nan 8.370 nan 0.000 0.453 579 V N 2.510 122.460 119.914 0.059 0.000 2.353 579 V HA 0.060 4.195 4.120 0.025 0.000 0.264 579 V C 0.229 176.412 176.094 0.149 0.000 1.049 579 V CA -0.529 61.836 62.300 0.108 0.000 0.896 579 V CB -0.187 31.615 31.823 -0.036 0.000 1.025 579 V HN 0.590 nan 8.190 nan 0.000 0.475 580 N N 4.473 123.277 118.700 0.174 0.000 2.707 580 N HA -0.223 4.532 4.740 0.025 0.000 0.253 580 N C 1.159 176.726 175.510 0.096 0.000 0.998 580 N CA 1.026 54.160 53.050 0.140 0.000 0.751 580 N CB -0.866 37.742 38.487 0.203 0.000 0.920 580 N HN 1.310 nan 8.380 nan 0.000 0.539 581 G N -2.480 106.364 108.800 0.074 0.000 2.168 581 G HA2 -0.319 3.656 3.960 0.025 0.000 0.263 581 G HA3 -0.319 3.656 3.960 0.025 0.000 0.263 581 G C -0.058 174.870 174.900 0.047 0.000 0.977 581 G CA 0.196 45.328 45.100 0.052 0.000 0.659 581 G HN 0.355 nan 8.290 nan 0.000 0.533 582 L N 0.043 121.298 121.223 0.053 0.000 2.305 582 L HA 0.544 4.899 4.340 0.025 0.000 0.281 582 L C 1.292 178.176 176.870 0.024 0.000 1.085 582 L CA 0.209 55.071 54.840 0.038 0.000 0.813 582 L CB 1.436 43.519 42.059 0.039 0.000 1.157 582 L HN 0.193 nan 8.230 nan 0.000 0.436 583 K N 2.712 123.120 120.400 0.014 0.000 2.358 583 K HA 0.171 4.506 4.320 0.025 0.000 0.200 583 K C -0.400 176.194 176.600 -0.011 0.000 1.030 583 K CA 0.073 56.365 56.287 0.008 0.000 1.097 583 K CB 0.548 33.053 32.500 0.008 0.000 0.862 583 K HN 0.622 nan 8.250 nan 0.000 0.534 584 K N -0.444 119.945 120.400 -0.018 0.000 2.685 584 K HA 0.251 4.586 4.320 0.025 0.000 0.290 584 K C -2.114 174.471 176.600 -0.027 0.000 1.018 584 K CA -1.008 55.253 56.287 -0.044 0.000 0.860 584 K CB 1.373 33.827 32.500 -0.077 0.000 1.498 584 K HN -0.247 nan 8.250 nan 0.000 0.390 585 D N 1.310 121.689 120.400 -0.035 0.000 2.478 585 D HA 0.311 4.966 4.640 0.025 0.000 0.240 585 D C -2.237 174.049 176.300 -0.023 0.000 1.364 585 D CA -1.968 52.031 54.000 -0.003 0.000 0.987 585 D CB 2.187 43.007 40.800 0.034 0.000 1.328 585 D HN 0.246 nan 8.370 nan 0.000 0.584 586 P HA -0.071 nan 4.420 nan 0.000 0.228 586 P C 1.242 178.534 177.300 -0.013 0.000 1.151 586 P CA 0.734 63.805 63.100 -0.048 0.000 0.770 586 P CB 0.216 31.899 31.700 -0.029 0.000 0.786 587 S N -1.293 114.432 115.700 0.041 0.000 2.547 587 S HA -0.039 4.446 4.470 0.025 0.000 0.235 587 S C 1.618 176.301 174.600 0.139 0.000 0.980 587 S CA 0.713 58.974 58.200 0.101 0.000 0.941 587 S CB -1.288 61.998 63.200 0.144 0.000 0.763 587 S HN 0.154 nan 8.310 nan 0.000 0.532 588 L N 1.089 122.352 121.223 0.067 0.000 2.446 588 L HA 0.210 4.565 4.340 0.025 0.000 0.219 588 L C 1.471 178.237 176.870 -0.173 0.000 1.116 588 L CA 0.104 54.976 54.840 0.054 0.000 0.844 588 L CB -0.225 41.858 42.059 0.040 0.000 0.970 588 L HN 0.311 nan 8.230 nan 0.000 0.457 589 S N -0.341 115.242 115.700 -0.196 0.000 2.586 589 S HA 0.272 4.757 4.470 0.025 0.000 0.274 589 S C 1.102 175.578 174.600 -0.206 0.000 1.281 589 S CA -0.601 57.428 58.200 -0.284 0.000 1.035 589 S CB 1.205 64.239 63.200 -0.277 0.000 0.962 589 S HN 0.168 nan 8.310 nan 0.000 0.512 590 L N 3.338 124.352 121.223 -0.349 0.000 2.156 590 L HA 0.009 4.364 4.340 0.025 0.000 0.208 590 L C 0.865 177.455 176.870 -0.466 0.000 1.095 590 L CA 1.119 55.648 54.840 -0.519 0.000 0.770 590 L CB -0.283 41.145 42.059 -1.052 0.000 0.914 590 L HN 0.751 nan 8.230 nan 0.000 0.439 591 Y N -2.360 117.933 120.300 -0.013 0.000 2.425 591 Y HA 0.336 4.901 4.550 0.025 0.000 0.261 591 Y C 2.185 178.102 175.900 0.029 0.000 1.084 591 Y CA -0.258 57.883 58.100 0.068 0.000 1.248 591 Y CB -0.499 38.023 38.460 0.103 0.000 1.270 591 Y HN -0.063 nan 8.280 nan 0.000 0.524 592 A N 0.699 123.543 122.820 0.041 0.000 1.948 592 A HA -0.102 4.233 4.320 0.025 0.000 0.220 592 A C 0.927 178.543 177.584 0.053 0.000 1.177 592 A CA 1.259 53.293 52.037 -0.004 0.000 0.636 592 A CB -0.744 18.200 19.000 -0.094 0.000 0.815 592 A HN 0.302 nan 8.150 nan 0.000 0.449 593 I N 1.514 122.125 120.570 0.069 0.000 2.354 593 I HA 0.235 4.420 4.170 0.025 0.000 0.286 593 I C -2.289 173.900 176.117 0.119 0.000 1.007 593 I CA -2.355 58.993 61.300 0.080 0.000 1.167 593 I CB 1.735 39.771 38.000 0.059 0.000 1.320 593 I HN 0.095 nan 8.210 nan 0.000 0.458 594 P HA 0.015 nan 4.420 nan 0.000 0.262 594 P C -0.670 176.706 177.300 0.127 0.000 1.182 594 P CA 0.232 63.426 63.100 0.155 0.000 0.761 594 P CB 0.644 32.421 31.700 0.127 0.000 0.795 595 D N 1.054 121.539 120.400 0.142 0.000 2.865 595 D HA 0.167 4.822 4.640 0.025 0.000 0.347 595 D C 0.510 176.873 176.300 0.106 0.000 1.498 595 D CA -0.535 53.530 54.000 0.109 0.000 0.787 595 D CB -0.406 40.455 40.800 0.101 0.000 1.190 595 D HN 0.317 nan 8.370 nan 0.000 0.445 596 G N 0.005 108.874 108.800 0.116 0.000 2.483 596 G HA2 0.398 4.373 3.960 0.025 0.000 0.248 596 G HA3 0.398 4.373 3.960 0.025 0.000 0.248 596 G C -0.742 174.199 174.900 0.069 0.000 1.248 596 G CA -0.184 44.981 45.100 0.108 0.000 0.838 596 G HN 0.187 nan 8.290 nan 0.000 0.566 597 D N 0.532 120.966 120.400 0.055 0.000 2.855 597 D HA 0.193 4.848 4.640 0.025 0.000 0.241 597 D C 0.903 177.218 176.300 0.024 0.000 1.277 597 D CA -0.586 53.433 54.000 0.031 0.000 0.918 597 D CB 1.940 42.751 40.800 0.019 0.000 1.462 597 D HN 0.318 nan 8.370 nan 0.000 0.559 598 V N 1.760 121.680 119.914 0.011 0.000 3.506 598 V HA 0.263 4.398 4.120 0.025 0.000 0.263 598 V C 1.024 177.102 176.094 -0.026 0.000 1.203 598 V CA 0.156 62.458 62.300 0.002 0.000 1.133 598 V CB -0.646 31.173 31.823 -0.006 0.000 0.802 598 V HN 0.410 nan 8.190 nan 0.000 0.459 599 K N 1.232 121.609 120.400 -0.037 0.000 2.451 599 K HA 0.389 4.724 4.320 0.025 0.000 0.280 599 K C 1.260 177.822 176.600 -0.064 0.000 1.020 599 K CA 1.098 57.340 56.287 -0.074 0.000 1.008 599 K CB 0.196 32.658 32.500 -0.063 0.000 0.917 599 K HN 0.689 nan 8.250 nan 0.000 0.478 600 G N 3.105 111.837 108.800 -0.113 0.000 2.217 600 G HA2 -0.216 3.759 3.960 0.025 0.000 0.246 600 G HA3 -0.216 3.759 3.960 0.025 0.000 0.246 600 G C 0.110 175.061 174.900 0.086 0.000 0.990 600 G CA -0.207 44.899 45.100 0.011 0.000 0.627 600 G HN 0.562 nan 8.290 nan 0.000 0.522 601 R N -0.117 120.401 120.500 0.031 0.000 2.738 601 R HA 0.695 5.049 4.340 0.025 0.000 0.275 601 R C 0.127 176.489 176.300 0.103 0.000 1.121 601 R CA 0.015 56.163 56.100 0.080 0.000 1.207 601 R CB 0.773 31.110 30.300 0.061 0.000 1.141 601 R HN 0.700 nan 8.270 nan 0.000 0.571 602 V N 0.053 120.044 119.914 0.128 0.000 2.925 602 V HA 0.499 4.634 4.120 0.025 0.000 0.311 602 V C -1.210 174.951 176.094 0.111 0.000 1.104 602 V CA -0.736 61.651 62.300 0.145 0.000 0.954 602 V CB 2.588 34.524 31.823 0.187 0.000 1.022 602 V HN 0.349 nan 8.190 nan 0.000 0.427 603 V N 5.125 125.100 119.914 0.100 0.000 2.540 603 V HA 0.828 4.963 4.120 0.025 0.000 0.302 603 V C 0.387 176.536 176.094 0.092 0.000 1.035 603 V CA -0.206 62.142 62.300 0.081 0.000 0.873 603 V CB 1.659 33.516 31.823 0.055 0.000 0.992 603 V HN 1.207 nan 8.190 nan 0.000 0.428 604 A N 5.696 128.577 122.820 0.102 0.000 2.327 604 A HA 0.830 5.164 4.320 0.025 0.000 0.283 604 A C -0.506 177.090 177.584 0.020 0.000 1.127 604 A CA -0.286 51.797 52.037 0.076 0.000 0.810 604 A CB 0.241 19.312 19.000 0.119 0.000 1.066 604 A HN 0.770 nan 8.150 nan 0.000 0.492 605 I N 3.071 123.644 120.570 0.004 0.000 2.411 605 I HA 0.210 4.395 4.170 0.025 0.000 0.284 605 I C -0.769 175.352 176.117 0.006 0.000 1.012 605 I CA -0.203 61.102 61.300 0.008 0.000 1.119 605 I CB 1.519 39.537 38.000 0.029 0.000 1.261 605 I HN 0.479 nan 8.210 nan 0.000 0.448 606 L N 7.074 128.287 121.223 -0.016 0.000 2.295 606 L HA 0.430 4.785 4.340 0.025 0.000 0.288 606 L C 0.026 176.985 176.870 0.148 0.000 1.079 606 L CA -0.407 54.474 54.840 0.069 0.000 0.830 606 L CB 0.329 42.281 42.059 -0.179 0.000 1.200 606 L HN 0.431 nan 8.230 nan 0.000 0.438 607 L N 3.580 124.943 121.223 0.233 0.000 2.453 607 L HA 0.249 4.604 4.340 0.025 0.000 0.261 607 L C 0.212 177.247 176.870 0.275 0.000 1.179 607 L CA -0.301 54.625 54.840 0.144 0.000 0.813 607 L CB 0.904 42.955 42.059 -0.013 0.000 1.110 607 L HN 0.709 nan 8.230 nan 0.000 0.466 608 N N -1.742 117.023 118.700 0.108 0.000 2.577 608 N HA 0.223 4.978 4.740 0.025 0.000 0.285 608 N C -0.178 175.278 175.510 -0.091 0.000 1.309 608 N CA -0.770 52.375 53.050 0.159 0.000 0.798 608 N CB 0.728 39.312 38.487 0.162 0.000 1.463 608 N HN 0.545 nan 8.380 nan 0.000 0.518 609 D N -1.713 118.677 120.400 -0.017 0.000 2.363 609 D HA -0.087 4.568 4.640 0.025 0.000 0.226 609 D C -0.405 175.852 176.300 -0.071 0.000 1.020 609 D CA 0.798 54.732 54.000 -0.109 0.000 0.892 609 D CB -0.080 40.735 40.800 0.026 0.000 0.900 609 D HN 0.755 nan 8.370 nan 0.000 0.531 610 E N 0.549 120.726 120.200 -0.039 0.000 3.284 610 E HA 0.225 4.590 4.350 0.025 0.000 0.277 610 E C -1.200 175.385 176.600 -0.026 0.000 1.218 610 E CA -0.380 56.000 56.400 -0.033 0.000 0.925 610 E CB 1.072 30.763 29.700 -0.016 0.000 1.409 610 E HN -0.133 nan 8.360 nan 0.000 0.388 611 V N 2.183 122.074 119.914 -0.039 0.000 2.843 611 V HA 0.090 4.225 4.120 0.025 0.000 0.305 611 V C 0.907 176.983 176.094 -0.029 0.000 1.065 611 V CA 0.107 62.390 62.300 -0.028 0.000 1.116 611 V CB 1.020 32.820 31.823 -0.038 0.000 0.968 611 V HN 0.501 nan 8.190 nan 0.000 0.487 612 R N 2.842 123.325 120.500 -0.028 0.000 2.345 612 R HA 0.061 4.416 4.340 0.025 0.000 0.331 612 R C 1.484 177.761 176.300 -0.038 0.000 1.067 612 R CA 0.462 56.541 56.100 -0.035 0.000 0.962 612 R CB 0.416 30.690 30.300 -0.042 0.000 0.987 612 R HN 1.001 nan 8.270 nan 0.000 0.451 613 S N 3.278 118.957 115.700 -0.034 0.000 2.399 613 S HA -0.174 4.311 4.470 0.025 0.000 0.231 613 S C 1.920 176.501 174.600 -0.033 0.000 1.022 613 S CA 0.826 59.007 58.200 -0.032 0.000 0.983 613 S CB -0.000 63.183 63.200 -0.028 0.000 0.803 613 S HN 0.672 nan 8.310 nan 0.000 0.480 614 A N 2.052 124.850 122.820 -0.037 0.000 1.969 614 A HA -0.067 4.268 4.320 0.025 0.000 0.218 614 A C 1.941 179.493 177.584 -0.054 0.000 1.169 614 A CA 1.498 53.511 52.037 -0.040 0.000 0.635 614 A CB -0.747 18.229 19.000 -0.040 0.000 0.810 614 A HN 0.440 nan 8.150 nan 0.000 0.445 615 D N -0.171 120.186 120.400 -0.071 0.000 2.097 615 D HA -0.125 4.530 4.640 0.025 0.000 0.195 615 D C 1.878 178.139 176.300 -0.064 0.000 0.989 615 D CA 0.861 54.798 54.000 -0.104 0.000 0.827 615 D CB -0.277 40.449 40.800 -0.123 0.000 0.966 615 D HN 0.345 nan 8.370 nan 0.000 0.456 616 L N 0.390 121.589 121.223 -0.041 0.000 2.093 616 L HA -0.085 4.270 4.340 0.025 0.000 0.208 616 L C 2.340 179.203 176.870 -0.011 0.000 1.085 616 L CA 0.594 55.423 54.840 -0.019 0.000 0.755 616 L CB -0.183 41.865 42.059 -0.018 0.000 0.904 616 L HN 0.103 nan 8.230 nan 0.000 0.435 617 L N -0.456 120.757 121.223 -0.017 0.000 2.012 617 L HA -0.225 4.130 4.340 0.025 0.000 0.210 617 L C 2.812 179.680 176.870 -0.004 0.000 1.073 617 L CA 1.372 56.206 54.840 -0.010 0.000 0.748 617 L CB -0.655 41.396 42.059 -0.013 0.000 0.891 617 L HN 0.283 nan 8.230 nan 0.000 0.431 618 A N 0.121 122.934 122.820 -0.011 0.000 1.898 618 A HA -0.165 4.170 4.320 0.025 0.000 0.216 618 A C 2.168 179.768 177.584 0.026 0.000 1.181 618 A CA 1.432 53.469 52.037 0.000 0.000 0.620 618 A CB -0.591 18.396 19.000 -0.021 0.000 0.819 618 A HN 0.341 nan 8.150 nan 0.000 0.442 619 I N -0.335 120.252 120.570 0.028 0.000 2.142 619 I HA -0.262 3.923 4.170 0.025 0.000 0.240 619 I C 2.387 178.532 176.117 0.046 0.000 1.078 619 I CA 1.285 62.623 61.300 0.064 0.000 1.343 619 I CB -0.383 37.658 38.000 0.068 0.000 1.046 619 I HN 0.268 nan 8.210 nan 0.000 0.405 620 L N 0.312 121.552 121.223 0.029 0.000 2.093 620 L HA -0.204 4.151 4.340 0.025 0.000 0.208 620 L C 2.572 179.454 176.870 0.020 0.000 1.085 620 L CA 1.365 56.220 54.840 0.025 0.000 0.755 620 L CB -0.520 41.551 42.059 0.020 0.000 0.904 620 L HN 0.209 nan 8.230 nan 0.000 0.435 621 K N 0.099 120.509 120.400 0.016 0.000 2.155 621 K HA -0.083 4.252 4.320 0.025 0.000 0.203 621 K C 2.192 178.799 176.600 0.012 0.000 1.052 621 K CA 0.946 57.240 56.287 0.012 0.000 0.948 621 K CB 0.013 32.518 32.500 0.009 0.000 0.728 621 K HN 0.250 nan 8.250 nan 0.000 0.448 622 A N 1.298 124.131 122.820 0.021 0.000 1.877 622 A HA -0.142 4.193 4.320 0.025 0.000 0.216 622 A C 2.042 179.631 177.584 0.008 0.000 1.186 622 A CA 1.214 53.264 52.037 0.022 0.000 0.620 622 A CB -0.598 18.428 19.000 0.043 0.000 0.822 622 A HN 0.251 nan 8.150 nan 0.000 0.443 623 L N -0.750 120.480 121.223 0.010 0.000 2.017 623 L HA -0.188 4.166 4.340 0.025 0.000 0.208 623 L C 2.707 179.558 176.870 -0.032 0.000 1.073 623 L CA 1.657 56.492 54.840 -0.010 0.000 0.745 623 L CB -0.522 41.539 42.059 0.004 0.000 0.894 623 L HN 0.321 nan 8.230 nan 0.000 0.432 624 K N 0.768 121.158 120.400 -0.017 0.000 2.074 624 K HA -0.202 4.133 4.320 0.025 0.000 0.209 624 K C 2.012 178.593 176.600 -0.031 0.000 1.048 624 K CA 1.757 58.030 56.287 -0.023 0.000 0.926 624 K CB -0.206 32.293 32.500 -0.001 0.000 0.713 624 K HN 0.298 nan 8.250 nan 0.000 0.444 625 A N 0.919 123.728 122.820 -0.019 0.000 2.070 625 A HA -0.103 4.232 4.320 0.025 0.000 0.220 625 A C 1.642 179.210 177.584 -0.027 0.000 1.159 625 A CA 1.357 53.384 52.037 -0.017 0.000 0.656 625 A CB -0.065 18.931 19.000 -0.006 0.000 0.800 625 A HN 0.149 nan 8.150 nan 0.000 0.453 626 K N -1.610 118.767 120.400 -0.038 0.000 2.358 626 K HA 0.244 4.579 4.320 0.025 0.000 0.200 626 K C 0.944 177.496 176.600 -0.080 0.000 1.030 626 K CA 0.573 56.833 56.287 -0.046 0.000 1.097 626 K CB 0.074 32.552 32.500 -0.035 0.000 0.862 626 K HN 0.740 nan 8.250 nan 0.000 0.534 627 G N 1.291 110.025 108.800 -0.111 0.000 2.147 627 G HA2 -0.225 3.750 3.960 0.025 0.000 0.244 627 G HA3 -0.225 3.750 3.960 0.025 0.000 0.244 627 G C -0.030 174.665 174.900 -0.341 0.000 1.005 627 G CA 0.203 45.189 45.100 -0.191 0.000 0.713 627 G HN 0.093 nan 8.290 nan 0.000 0.515 628 V N 0.897 120.656 119.914 -0.259 0.000 2.439 628 V HA 0.519 4.654 4.120 0.025 0.000 0.282 628 V C 0.779 176.710 176.094 -0.272 0.000 1.039 628 V CA -0.824 61.324 62.300 -0.254 0.000 0.913 628 V CB 1.138 32.904 31.823 -0.094 0.000 0.983 628 V HN 0.440 nan 8.190 nan 0.000 0.460 629 H N 1.788 120.869 119.070 0.019 0.000 2.509 629 H HA 0.764 5.335 4.556 0.025 0.000 0.359 629 H C 0.232 175.579 175.328 0.032 0.000 1.253 629 H CA 0.191 56.252 56.048 0.023 0.000 1.373 629 H CB 1.139 30.915 29.762 0.025 0.000 1.555 629 H HN 0.861 nan 8.280 nan 0.000 0.586 630 A N 0.875 123.799 122.820 0.173 0.000 2.475 630 A HA 0.544 4.879 4.320 0.025 0.000 0.301 630 A C -1.204 176.436 177.584 0.093 0.000 1.059 630 A CA -1.041 51.061 52.037 0.108 0.000 0.710 630 A CB 1.267 20.311 19.000 0.075 0.000 1.288 630 A HN 0.781 nan 8.150 nan 0.000 0.408 631 K N 2.154 122.601 120.400 0.079 0.000 2.463 631 K HA 0.673 5.008 4.320 0.025 0.000 0.255 631 K C -1.564 175.062 176.600 0.042 0.000 0.942 631 K CA -0.510 55.813 56.287 0.061 0.000 0.814 631 K CB 1.432 33.977 32.500 0.075 0.000 1.122 631 K HN 0.508 nan 8.250 nan 0.000 0.425 632 L N 5.113 126.352 121.223 0.026 0.000 2.278 632 L HA 0.354 4.709 4.340 0.025 0.000 0.287 632 L C -0.404 176.466 176.870 0.000 0.000 1.072 632 L CA -0.700 54.148 54.840 0.013 0.000 0.819 632 L CB 0.158 42.217 42.059 -0.000 0.000 1.176 632 L HN 0.513 nan 8.230 nan 0.000 0.435 633 L N 3.760 124.986 121.223 0.006 0.000 2.334 633 L HA 0.600 4.955 4.340 0.025 0.000 0.273 633 L C -0.765 176.028 176.870 -0.127 0.000 1.013 633 L CA -0.746 54.050 54.840 -0.074 0.000 0.816 633 L CB 1.921 43.959 42.059 -0.035 0.000 1.278 633 L HN 0.419 nan 8.230 nan 0.000 0.431 634 Y N -0.301 119.557 120.300 -0.736 0.000 2.900 634 Y HA 0.188 4.753 4.550 0.025 0.000 0.318 634 Y C 0.771 175.876 175.900 -1.326 0.000 1.457 634 Y CA -0.782 56.786 58.100 -0.886 0.000 1.082 634 Y CB 1.506 39.782 38.460 -0.307 0.000 1.419 634 Y HN 0.540 nan 8.280 nan 0.000 0.459 635 S N 0.718 115.521 115.700 -1.495 0.000 2.593 635 S HA 0.267 4.752 4.470 0.025 0.000 0.217 635 S C -0.013 174.299 174.600 -0.480 0.000 0.966 635 S CA 0.323 58.031 58.200 -0.821 0.000 0.914 635 S CB -0.327 62.548 63.200 -0.541 0.000 0.776 635 S HN 0.615 nan 8.310 nan 0.000 0.523 636 R N -1.251 119.025 120.500 -0.373 0.000 2.752 636 R HA 0.608 4.963 4.340 0.025 0.000 0.271 636 R C -0.812 175.465 176.300 -0.037 0.000 1.026 636 R CA -1.105 54.916 56.100 -0.132 0.000 0.901 636 R CB 0.452 30.719 30.300 -0.055 0.000 1.243 636 R HN -0.072 nan 8.270 nan 0.000 0.463 637 M N 0.267 119.855 119.600 -0.021 0.000 2.114 637 M HA 0.481 4.976 4.480 0.025 0.000 0.280 637 M C 1.039 177.352 176.300 0.023 0.000 1.209 637 M CA 1.054 56.353 55.300 -0.002 0.000 1.044 637 M CB 0.452 33.045 32.600 -0.013 0.000 1.404 637 M HN 1.061 nan 8.290 nan 0.000 0.499 638 G N 0.987 109.793 108.800 0.010 0.000 2.826 638 G HA2 -0.132 3.843 3.960 0.025 0.000 0.233 638 G HA3 -0.132 3.843 3.960 0.025 0.000 0.233 638 G C -0.847 174.049 174.900 -0.006 0.000 1.296 638 G CA -0.417 44.686 45.100 0.005 0.000 1.001 638 G HN 0.635 nan 8.290 nan 0.000 0.576 639 E N -0.878 119.312 120.200 -0.015 0.000 2.393 639 E HA 0.631 4.996 4.350 0.025 0.000 0.273 639 E C -0.427 176.121 176.600 -0.087 0.000 0.918 639 E CA -0.549 55.823 56.400 -0.047 0.000 0.773 639 E CB 2.961 32.639 29.700 -0.037 0.000 1.275 639 E HN 1.227 nan 8.360 nan 0.000 0.451 640 V N -1.970 117.856 119.914 -0.146 0.000 3.074 640 V HA 0.723 4.858 4.120 0.025 0.000 0.314 640 V C -0.500 175.517 176.094 -0.127 0.000 1.117 640 V CA -0.730 61.454 62.300 -0.194 0.000 1.014 640 V CB 1.951 33.533 31.823 -0.402 0.000 1.057 640 V HN 0.636 nan 8.190 nan 0.000 0.438 641 T N 2.299 116.790 114.554 -0.105 0.000 2.779 641 T HA 0.785 5.149 4.350 0.025 0.000 0.280 641 T C 0.256 174.915 174.700 -0.068 0.000 0.987 641 T CA 0.236 62.294 62.100 -0.070 0.000 0.966 641 T CB 1.364 70.204 68.868 -0.047 0.000 0.933 641 T HN 1.336 nan 8.240 nan 0.000 0.442 642 A N 2.354 125.141 122.820 -0.056 0.000 2.296 642 A HA 0.407 4.742 4.320 0.025 0.000 0.264 642 A C 1.604 179.166 177.584 -0.036 0.000 1.097 642 A CA -0.390 51.618 52.037 -0.048 0.000 0.811 642 A CB 0.085 19.059 19.000 -0.042 0.000 1.072 642 A HN 0.919 nan 8.150 nan 0.000 0.495 643 D N 0.353 120.735 120.400 -0.031 0.000 2.149 643 D HA -0.251 4.404 4.640 0.025 0.000 0.194 643 D C 0.736 177.023 176.300 -0.022 0.000 1.001 643 D CA 1.925 55.911 54.000 -0.024 0.000 0.849 643 D CB -0.427 40.359 40.800 -0.023 0.000 0.939 643 D HN 0.622 nan 8.370 nan 0.000 0.449 644 D N -1.424 118.962 120.400 -0.023 0.000 2.328 644 D HA 0.180 4.835 4.640 0.025 0.000 0.221 644 D C 1.642 177.930 176.300 -0.019 0.000 1.072 644 D CA 0.612 54.600 54.000 -0.020 0.000 0.850 644 D CB -0.064 40.725 40.800 -0.019 0.000 0.922 644 D HN 0.470 nan 8.370 nan 0.000 0.516 645 G N -0.193 108.594 108.800 -0.022 0.000 2.195 645 G HA2 -0.263 3.712 3.960 0.025 0.000 0.246 645 G HA3 -0.263 3.712 3.960 0.025 0.000 0.246 645 G C 0.426 175.312 174.900 -0.023 0.000 0.984 645 G CA 0.232 45.319 45.100 -0.022 0.000 0.633 645 G HN 0.448 nan 8.290 nan 0.000 0.525 646 T N 1.373 115.912 114.554 -0.025 0.000 2.902 646 T HA 0.411 4.776 4.350 0.025 0.000 0.301 646 T C 0.641 175.322 174.700 -0.032 0.000 1.012 646 T CA 0.105 62.190 62.100 -0.025 0.000 1.151 646 T CB 2.186 71.040 68.868 -0.024 0.000 0.946 646 T HN 0.469 nan 8.240 nan 0.000 0.542 647 V N 5.278 125.175 119.914 -0.029 0.000 2.432 647 V HA 0.193 4.328 4.120 0.025 0.000 0.271 647 V C -0.133 175.939 176.094 -0.037 0.000 1.046 647 V CA -0.719 61.560 62.300 -0.035 0.000 0.945 647 V CB 0.770 32.577 31.823 -0.027 0.000 0.992 647 V HN 0.559 nan 8.190 nan 0.000 0.471 648 L N 9.303 130.494 121.223 -0.053 0.000 2.262 648 L HA 0.493 4.848 4.340 0.025 0.000 0.288 648 L C -2.040 174.797 176.870 -0.055 0.000 1.035 648 L CA -2.485 52.322 54.840 -0.055 0.000 0.820 648 L CB 1.283 43.296 42.059 -0.076 0.000 1.204 648 L HN 0.428 nan 8.230 nan 0.000 0.424 649 P HA 0.239 nan 4.420 nan 0.000 0.276 649 P C -0.390 176.894 177.300 -0.027 0.000 1.230 649 P CA -0.201 62.883 63.100 -0.026 0.000 0.776 649 P CB 1.066 32.757 31.700 -0.014 0.000 0.888 650 I N 2.474 123.029 120.570 -0.024 0.000 2.315 650 I HA 0.224 4.409 4.170 0.025 0.000 0.291 650 I C 1.552 177.661 176.117 -0.013 0.000 1.006 650 I CA -0.450 60.837 61.300 -0.020 0.000 1.265 650 I CB 1.506 39.501 38.000 -0.008 0.000 1.387 650 I HN 0.359 nan 8.210 nan 0.000 0.475 651 A N 5.316 128.130 122.820 -0.010 0.000 1.930 651 A HA 0.562 4.897 4.320 0.025 0.000 0.215 651 A C 0.981 178.562 177.584 -0.005 0.000 1.176 651 A CA 1.227 53.263 52.037 -0.001 0.000 0.632 651 A CB 0.039 19.047 19.000 0.013 0.000 0.819 651 A HN 0.812 nan 8.150 nan 0.000 0.445 652 A N -2.117 120.690 122.820 -0.022 0.000 2.566 652 A HA 0.563 4.898 4.320 0.025 0.000 0.290 652 A C -0.070 177.457 177.584 -0.095 0.000 1.071 652 A CA 0.071 52.091 52.037 -0.028 0.000 0.658 652 A CB -0.269 18.740 19.000 0.015 0.000 1.285 652 A HN 0.780 nan 8.150 nan 0.000 0.427 653 T N -1.505 112.986 114.554 -0.105 0.000 2.847 653 T HA 0.562 4.927 4.350 0.025 0.000 0.279 653 T C 0.944 175.569 174.700 -0.125 0.000 0.984 653 T CA 0.048 62.007 62.100 -0.234 0.000 0.988 653 T CB 0.099 68.868 68.868 -0.164 0.000 1.040 653 T HN 0.482 nan 8.240 nan 0.000 0.528 654 F N 0.548 120.516 119.950 0.030 0.000 2.126 654 F HA -0.021 4.521 4.527 0.025 0.000 0.299 654 F C 2.913 178.846 175.800 0.222 0.000 1.096 654 F CA 1.076 59.145 58.000 0.114 0.000 1.255 654 F CB -0.600 38.449 39.000 0.082 0.000 0.997 654 F HN 0.705 nan 8.300 nan 0.000 0.479 655 A N 0.104 123.091 122.820 0.279 0.000 2.016 655 A HA 0.110 4.445 4.320 0.025 0.000 0.217 655 A C 2.395 180.050 177.584 0.118 0.000 1.162 655 A CA 1.201 53.345 52.037 0.178 0.000 0.662 655 A CB -1.295 17.770 19.000 0.107 0.000 0.812 655 A HN 0.378 nan 8.150 nan 0.000 0.450 656 G N -0.898 107.956 108.800 0.090 0.000 2.484 656 G HA2 0.288 4.263 3.960 0.025 0.000 0.218 656 G HA3 0.288 4.263 3.960 0.025 0.000 0.218 656 G C 0.639 175.590 174.900 0.085 0.000 1.130 656 G CA 0.960 46.095 45.100 0.059 0.000 0.784 656 G HN 1.057 nan 8.290 nan 0.000 0.543 657 A N 0.671 123.579 122.820 0.146 0.000 3.216 657 A HA 0.686 5.020 4.320 0.025 0.000 0.321 657 A C -2.741 175.008 177.584 0.274 0.000 1.042 657 A CA -1.067 51.073 52.037 0.172 0.000 0.838 657 A CB 1.216 20.309 19.000 0.155 0.000 1.136 657 A HN 0.091 nan 8.150 nan 0.000 0.483 658 P HA 0.084 nan 4.420 nan 0.000 0.272 658 P C 1.364 178.517 177.300 -0.244 0.000 1.240 658 P CA 0.258 63.330 63.100 -0.048 0.000 0.791 658 P CB 0.839 32.489 31.700 -0.083 0.000 0.978 659 S N 1.029 116.216 115.700 -0.854 0.000 2.440 659 S HA -0.164 4.321 4.470 0.025 0.000 0.238 659 S C 1.752 176.210 174.600 -0.237 0.000 1.010 659 S CA 1.113 58.951 58.200 -0.603 0.000 0.972 659 S CB -1.391 61.344 63.200 -0.774 0.000 0.774 659 S HN 0.352 nan 8.310 nan 0.000 0.501 660 L N 1.815 122.902 121.223 -0.226 0.000 2.129 660 L HA -0.102 4.253 4.340 0.025 0.000 0.212 660 L C 2.941 179.630 176.870 -0.301 0.000 1.087 660 L CA 1.650 56.348 54.840 -0.236 0.000 0.757 660 L CB -1.465 40.425 42.059 -0.282 0.000 0.896 660 L HN 0.643 nan 8.230 nan 0.000 0.434 661 T N -3.189 111.262 114.554 -0.171 0.000 3.129 661 T HA 0.202 4.567 4.350 0.025 0.000 0.251 661 T C 0.426 175.220 174.700 0.157 0.000 1.117 661 T CA 0.159 62.239 62.100 -0.034 0.000 1.034 661 T CB -0.377 68.574 68.868 0.139 0.000 0.968 661 T HN 0.161 nan 8.240 nan 0.000 0.526 662 V N -2.425 117.541 119.914 0.087 0.000 3.113 662 V HA 0.568 4.703 4.120 0.025 0.000 0.316 662 V C -0.029 176.113 176.094 0.080 0.000 1.125 662 V CA -0.959 61.419 62.300 0.130 0.000 1.026 662 V CB 2.089 34.004 31.823 0.154 0.000 1.080 662 V HN 0.009 nan 8.190 nan 0.000 0.444 663 D N 0.934 121.386 120.400 0.086 0.000 2.366 663 D HA 0.490 5.145 4.640 0.025 0.000 0.205 663 D C 0.558 176.847 176.300 -0.018 0.000 1.022 663 D CA 1.471 55.495 54.000 0.040 0.000 0.868 663 D CB 1.474 42.318 40.800 0.074 0.000 0.953 663 D HN 0.979 nan 8.370 nan 0.000 0.514 664 A N -0.006 122.819 122.820 0.008 0.000 2.566 664 A HA 0.539 4.874 4.320 0.025 0.000 0.290 664 A C -1.680 175.922 177.584 0.030 0.000 1.071 664 A CA -0.548 51.480 52.037 -0.016 0.000 0.658 664 A CB 1.389 20.366 19.000 -0.039 0.000 1.285 664 A HN -0.102 nan 8.150 nan 0.000 0.427 665 V N 0.665 120.588 119.914 0.015 0.000 2.760 665 V HA 0.598 4.733 4.120 0.025 0.000 0.309 665 V C -0.827 175.272 176.094 0.009 0.000 1.077 665 V CA -0.227 62.095 62.300 0.037 0.000 0.910 665 V CB 1.720 33.582 31.823 0.066 0.000 1.008 665 V HN 0.723 nan 8.190 nan 0.000 0.424 666 I N 3.692 124.274 120.570 0.020 0.000 2.509 666 I HA 0.597 4.782 4.170 0.025 0.000 0.293 666 I C -0.957 175.181 176.117 0.035 0.000 1.020 666 I CA -0.995 60.342 61.300 0.061 0.000 1.088 666 I CB 2.362 40.429 38.000 0.111 0.000 1.267 666 I HN 0.276 nan 8.210 nan 0.000 0.430 667 V N 7.096 127.048 119.914 0.063 0.000 2.376 667 V HA 0.363 4.498 4.120 0.025 0.000 0.287 667 V C -2.203 173.939 176.094 0.081 0.000 1.015 667 V CA -1.654 60.667 62.300 0.034 0.000 0.834 667 V CB 1.400 33.214 31.823 -0.016 0.000 1.001 667 V HN 0.549 nan 8.190 nan 0.000 0.428 668 P HA 0.356 nan 4.420 nan 0.000 0.274 668 P C -0.165 177.150 177.300 0.025 0.000 1.237 668 P CA -0.130 62.979 63.100 0.014 0.000 0.793 668 P CB 1.074 32.774 31.700 -0.001 0.000 0.977 669 A N 0.973 123.784 122.820 -0.015 0.000 2.366 669 A HA 0.628 4.963 4.320 0.025 0.000 0.250 669 A C 0.838 178.424 177.584 0.002 0.000 1.099 669 A CA 0.817 52.852 52.037 -0.004 0.000 0.794 669 A CB -0.894 18.085 19.000 -0.035 0.000 1.056 669 A HN 0.860 nan 8.150 nan 0.000 0.499 670 G N -0.594 108.209 108.800 0.006 0.000 2.288 670 G HA2 -0.039 3.936 3.960 0.025 0.000 0.227 670 G HA3 -0.039 3.936 3.960 0.025 0.000 0.227 670 G C -0.324 174.583 174.900 0.013 0.000 1.339 670 G CA -0.139 44.963 45.100 0.004 0.000 1.057 670 G HN 1.043 nan 8.290 nan 0.000 0.470 671 N N 1.400 120.112 118.700 0.020 0.000 2.819 671 N HA 0.106 4.861 4.740 0.025 0.000 0.284 671 N C 1.290 176.830 175.510 0.049 0.000 1.196 671 N CA -0.577 52.488 53.050 0.026 0.000 1.114 671 N CB -0.153 38.351 38.487 0.028 0.000 1.437 671 N HN 0.356 nan 8.380 nan 0.000 0.518 672 I N 1.849 122.437 120.570 0.030 0.000 2.614 672 I HA -0.181 4.004 4.170 0.025 0.000 0.258 672 I C 2.321 178.435 176.117 -0.005 0.000 1.189 672 I CA 0.621 61.940 61.300 0.031 0.000 1.462 672 I CB -1.380 36.608 38.000 -0.019 0.000 1.092 672 I HN 0.468 nan 8.210 nan 0.000 0.442 673 A N 0.520 123.333 122.820 -0.011 0.000 2.015 673 A HA -0.242 4.093 4.320 0.025 0.000 0.219 673 A C 2.060 179.660 177.584 0.028 0.000 1.163 673 A CA 1.699 53.725 52.037 -0.018 0.000 0.646 673 A CB -0.590 18.399 19.000 -0.018 0.000 0.806 673 A HN 0.376 nan 8.150 nan 0.000 0.448 674 D N 0.508 120.952 120.400 0.073 0.000 2.158 674 D HA -0.178 4.477 4.640 0.025 0.000 0.197 674 D C 1.511 177.899 176.300 0.147 0.000 0.995 674 D CA 1.897 55.973 54.000 0.126 0.000 0.846 674 D CB -0.163 40.751 40.800 0.191 0.000 0.941 674 D HN 0.662 nan 8.370 nan 0.000 0.456 675 I N -4.375 116.295 120.570 0.166 0.000 4.240 675 I HA 0.482 4.667 4.170 0.025 0.000 0.331 675 I C 1.820 178.053 176.117 0.192 0.000 1.381 675 I CA -0.085 61.336 61.300 0.202 0.000 1.136 675 I CB 0.149 38.316 38.000 0.279 0.000 1.137 675 I HN -0.105 nan 8.210 nan 0.000 0.411 676 A N 1.590 124.434 122.820 0.041 0.000 1.978 676 A HA -0.173 4.162 4.320 0.025 0.000 0.220 676 A C 1.610 179.166 177.584 -0.047 0.000 1.170 676 A CA 2.137 54.073 52.037 -0.168 0.000 0.636 676 A CB -0.451 18.405 19.000 -0.240 0.000 0.810 676 A HN 0.532 nan 8.150 nan 0.000 0.448 677 D N -0.977 119.428 120.400 0.009 0.000 2.431 677 D HA 0.031 4.686 4.640 0.025 0.000 0.213 677 D C -0.051 176.274 176.300 0.042 0.000 1.130 677 D CA -0.189 53.821 54.000 0.016 0.000 0.834 677 D CB -0.152 40.649 40.800 0.002 0.000 0.985 677 D HN 0.332 nan 8.370 nan 0.000 0.504 678 N N 1.196 119.936 118.700 0.066 0.000 2.420 678 N HA 0.028 4.783 4.740 0.025 0.000 0.262 678 N C 1.358 176.901 175.510 0.055 0.000 1.144 678 N CA 0.044 53.131 53.050 0.062 0.000 0.952 678 N CB 1.449 39.983 38.487 0.078 0.000 1.081 678 N HN -0.009 nan 8.380 nan 0.000 0.480 679 G N 3.329 112.161 108.800 0.053 0.000 2.442 679 G HA2 -0.263 3.712 3.960 0.025 0.000 0.219 679 G HA3 -0.263 3.712 3.960 0.025 0.000 0.219 679 G C 0.972 175.920 174.900 0.081 0.000 1.141 679 G CA 0.556 45.691 45.100 0.058 0.000 0.763 679 G HN 0.592 nan 8.290 nan 0.000 0.554 680 D N 0.882 121.332 120.400 0.084 0.000 2.144 680 D HA 0.006 4.661 4.640 0.025 0.000 0.200 680 D C 2.810 179.112 176.300 0.004 0.000 0.978 680 D CA 1.160 55.240 54.000 0.134 0.000 0.833 680 D CB -0.441 40.502 40.800 0.239 0.000 0.961 680 D HN 0.309 nan 8.370 nan 0.000 0.470 681 A N 1.243 123.908 122.820 -0.259 0.000 1.877 681 A HA -0.191 4.144 4.320 0.025 0.000 0.216 681 A C 2.025 179.429 177.584 -0.300 0.000 1.186 681 A CA 1.299 52.962 52.037 -0.624 0.000 0.620 681 A CB -0.535 18.049 19.000 -0.692 0.000 0.822 681 A HN 0.148 nan 8.150 nan 0.000 0.443 682 N N -1.388 117.279 118.700 -0.055 0.000 2.069 682 N HA -0.211 4.544 4.740 0.025 0.000 0.191 682 N C 1.719 177.228 175.510 -0.002 0.000 1.031 682 N CA 1.909 54.976 53.050 0.029 0.000 0.852 682 N CB -0.537 38.030 38.487 0.133 0.000 1.018 682 N HN 0.677 nan 8.380 nan 0.000 0.423 683 Y N 0.575 120.847 120.300 -0.047 0.000 2.274 683 Y HA -0.281 4.284 4.550 0.025 0.000 0.290 683 Y C 2.400 178.255 175.900 -0.075 0.000 1.145 683 Y CA 1.251 59.318 58.100 -0.055 0.000 1.203 683 Y CB -0.328 38.106 38.460 -0.043 0.000 0.984 683 Y HN 0.057 nan 8.280 nan 0.000 0.533 684 Y N 0.280 120.459 120.300 -0.201 0.000 2.128 684 Y HA -0.319 4.246 4.550 0.025 0.000 0.284 684 Y C 2.060 177.765 175.900 -0.324 0.000 1.154 684 Y CA 2.125 60.077 58.100 -0.247 0.000 1.149 684 Y CB -0.438 37.876 38.460 -0.244 0.000 0.976 684 Y HN 0.109 nan 8.280 nan 0.000 0.505 685 L N -1.192 119.952 121.223 -0.131 0.000 2.056 685 L HA -0.248 4.106 4.340 0.025 0.000 0.207 685 L C 2.429 179.173 176.870 -0.210 0.000 1.078 685 L CA 1.363 56.107 54.840 -0.160 0.000 0.749 685 L CB -0.562 41.367 42.059 -0.215 0.000 0.901 685 L HN 0.276 nan 8.230 nan 0.000 0.433 686 M N -0.412 119.010 119.600 -0.298 0.000 2.080 686 M HA -0.247 4.248 4.480 0.025 0.000 0.260 686 M C 2.296 178.333 176.300 -0.438 0.000 1.068 686 M CA 1.814 56.925 55.300 -0.315 0.000 1.109 686 M CB -0.396 32.017 32.600 -0.311 0.000 1.342 686 M HN 0.223 nan 8.290 nan 0.000 0.405 687 E N 0.404 120.146 120.200 -0.763 0.000 2.051 687 E HA -0.202 4.163 4.350 0.025 0.000 0.192 687 E C 1.988 178.209 176.600 -0.632 0.000 0.991 687 E CA 1.381 57.297 56.400 -0.808 0.000 0.799 687 E CB -0.011 29.180 29.700 -0.848 0.000 0.748 687 E HN 0.483 nan 8.360 nan 0.000 0.449 688 A N 0.237 122.812 122.820 -0.407 0.000 1.933 688 A HA -0.205 4.130 4.320 0.025 0.000 0.218 688 A C 2.032 179.503 177.584 -0.188 0.000 1.175 688 A CA 1.464 53.360 52.037 -0.236 0.000 0.628 688 A CB -0.908 18.015 19.000 -0.129 0.000 0.814 688 A HN 0.550 nan 8.150 nan 0.000 0.444 689 Y N 0.613 120.749 120.300 -0.275 0.000 2.114 689 Y HA -0.242 4.323 4.550 0.025 0.000 0.284 689 Y C 2.431 178.201 175.900 -0.216 0.000 1.143 689 Y CA 2.426 60.396 58.100 -0.216 0.000 1.135 689 Y CB -0.301 38.049 38.460 -0.184 0.000 0.980 689 Y HN 0.331 nan 8.280 nan 0.000 0.499 690 K N -0.615 119.660 120.400 -0.208 0.000 2.074 690 K HA -0.253 4.082 4.320 0.025 0.000 0.209 690 K C 1.239 177.718 176.600 -0.202 0.000 1.048 690 K CA 2.203 58.344 56.287 -0.243 0.000 0.926 690 K CB -0.506 31.813 32.500 -0.301 0.000 0.713 690 K HN 0.602 nan 8.250 nan 0.000 0.444 691 H N 0.313 119.260 119.070 -0.206 0.000 2.536 691 H HA 0.171 4.742 4.556 0.025 0.000 0.276 691 H C -0.021 175.142 175.328 -0.276 0.000 1.019 691 H CA 0.256 56.180 56.048 -0.207 0.000 1.159 691 H CB 0.062 29.700 29.762 -0.208 0.000 1.373 691 H HN 0.142 nan 8.280 nan 0.000 0.584 692 L N -0.102 120.965 121.223 -0.259 0.000 4.140 692 L HA -0.269 4.086 4.340 0.025 0.000 0.406 692 L C -0.358 176.245 176.870 -0.445 0.000 1.175 692 L CA 0.563 55.159 54.840 -0.408 0.000 0.939 692 L CB -1.740 40.053 42.059 -0.444 0.000 2.105 692 L HN 0.311 nan 8.230 nan 0.000 0.803 693 K N 0.802 121.008 120.400 -0.324 0.000 2.174 693 K HA 0.490 4.825 4.320 0.025 0.000 0.275 693 K C -2.156 174.305 176.600 -0.231 0.000 1.015 693 K CA -1.802 54.317 56.287 -0.279 0.000 0.933 693 K CB 0.738 33.130 32.500 -0.180 0.000 1.025 693 K HN -0.214 nan 8.250 nan 0.000 0.463 694 P HA 0.074 nan 4.420 nan 0.000 0.268 694 P C -0.777 176.457 177.300 -0.111 0.000 1.205 694 P CA 0.349 63.347 63.100 -0.170 0.000 0.771 694 P CB 0.458 32.059 31.700 -0.165 0.000 0.858 695 I N 1.750 122.268 120.570 -0.087 0.000 2.582 695 I HA 0.626 4.811 4.170 0.025 0.000 0.292 695 I C -0.476 175.597 176.117 -0.072 0.000 1.066 695 I CA -0.778 60.491 61.300 -0.051 0.000 1.053 695 I CB 2.249 40.246 38.000 -0.006 0.000 1.241 695 I HN 0.260 nan 8.210 nan 0.000 0.421 696 A N 7.436 130.223 122.820 -0.055 0.000 2.356 696 A HA 0.901 5.236 4.320 0.025 0.000 0.310 696 A C -1.227 176.459 177.584 0.171 0.000 1.075 696 A CA -0.433 51.562 52.037 -0.069 0.000 0.746 696 A CB 1.128 19.953 19.000 -0.292 0.000 1.221 696 A HN 0.654 nan 8.150 nan 0.000 0.443 697 L N 2.188 123.578 121.223 0.278 0.000 2.404 697 L HA 0.689 5.044 4.340 0.025 0.000 0.272 697 L C 0.147 177.213 176.870 0.325 0.000 0.980 697 L CA -0.552 54.447 54.840 0.264 0.000 0.836 697 L CB 1.952 44.112 42.059 0.168 0.000 1.238 697 L HN 0.815 nan 8.230 nan 0.000 0.408 698 A N 2.372 125.288 122.820 0.159 0.000 2.317 698 A HA 0.865 5.200 4.320 0.025 0.000 0.327 698 A C 0.623 178.192 177.584 -0.025 0.000 1.178 698 A CA 0.334 52.331 52.037 -0.067 0.000 0.817 698 A CB 1.244 20.035 19.000 -0.348 0.000 1.189 698 A HN 0.994 nan 8.150 nan 0.000 0.489 699 G N 2.188 110.966 108.800 -0.037 0.000 2.611 699 G HA2 -0.355 3.620 3.960 0.025 0.000 0.301 699 G HA3 -0.355 3.620 3.960 0.025 0.000 0.301 699 G C 0.572 175.475 174.900 0.004 0.000 1.233 699 G CA 0.705 45.791 45.100 -0.023 0.000 0.993 699 G HN 1.205 nan 8.290 nan 0.000 0.553 700 D N 1.382 121.780 120.400 -0.002 0.000 2.378 700 D HA 0.170 4.825 4.640 0.025 0.000 0.222 700 D C 2.288 178.594 176.300 0.010 0.000 0.980 700 D CA 1.456 55.451 54.000 -0.009 0.000 0.907 700 D CB -0.555 40.231 40.800 -0.022 0.000 0.899 700 D HN 0.948 nan 8.370 nan 0.000 0.527 701 A N 1.242 124.106 122.820 0.072 0.000 2.125 701 A HA -0.154 4.181 4.320 0.025 0.000 0.219 701 A C 2.198 179.898 177.584 0.194 0.000 1.156 701 A CA 0.546 52.700 52.037 0.196 0.000 0.671 701 A CB -0.644 18.483 19.000 0.212 0.000 0.794 701 A HN 0.116 nan 8.150 nan 0.000 0.459 702 R N -0.350 120.208 120.500 0.096 0.000 2.237 702 R HA -0.070 4.285 4.340 0.025 0.000 0.219 702 R C 1.706 178.021 176.300 0.024 0.000 1.080 702 R CA 1.164 57.309 56.100 0.075 0.000 0.995 702 R CB -0.178 30.152 30.300 0.050 0.000 0.875 702 R HN 0.506 nan 8.270 nan 0.000 0.462 703 K N -0.165 120.206 120.400 -0.048 0.000 2.211 703 K HA -0.133 4.201 4.320 0.025 0.000 0.204 703 K C 1.243 177.732 176.600 -0.186 0.000 1.047 703 K CA 1.243 57.440 56.287 -0.150 0.000 0.935 703 K CB -0.083 32.270 32.500 -0.245 0.000 0.728 703 K HN 0.158 nan 8.250 nan 0.000 0.452 704 F N 1.312 121.238 119.950 -0.041 0.000 2.546 704 F HA -0.095 4.447 4.527 0.025 0.000 0.298 704 F C 1.866 177.619 175.800 -0.079 0.000 1.120 704 F CA 0.753 58.717 58.000 -0.059 0.000 1.456 704 F CB -0.035 38.929 39.000 -0.060 0.000 1.088 704 F HN -0.065 nan 8.300 nan 0.000 0.572 705 K N 0.426 120.873 120.400 0.078 0.000 2.089 705 K HA -0.254 4.081 4.320 0.025 0.000 0.210 705 K C 2.357 178.931 176.600 -0.044 0.000 1.048 705 K CA 1.339 57.625 56.287 -0.002 0.000 0.926 705 K CB -0.462 32.034 32.500 -0.006 0.000 0.714 705 K HN 0.283 nan 8.250 nan 0.000 0.448 706 A N 0.818 123.616 122.820 -0.036 0.000 1.940 706 A HA -0.187 4.148 4.320 0.025 0.000 0.219 706 A C 2.197 179.752 177.584 -0.049 0.000 1.176 706 A CA 2.143 54.151 52.037 -0.048 0.000 0.631 706 A CB -0.941 18.028 19.000 -0.052 0.000 0.814 706 A HN 0.291 nan 8.150 nan 0.000 0.446 707 T N 0.654 115.197 114.554 -0.020 0.000 2.746 707 T HA -0.123 4.242 4.350 0.025 0.000 0.267 707 T C 1.535 176.174 174.700 -0.103 0.000 1.039 707 T CA 1.710 63.801 62.100 -0.014 0.000 1.142 707 T CB -0.488 68.431 68.868 0.085 0.000 0.866 707 T HN 0.724 nan 8.240 nan 0.000 0.444 708 I N -1.896 118.557 120.570 -0.194 0.000 3.928 708 I HA 0.341 4.525 4.170 0.025 0.000 0.335 708 I C -0.391 175.463 176.117 -0.439 0.000 1.325 708 I CA -0.423 60.616 61.300 -0.436 0.000 1.107 708 I CB -0.091 37.478 38.000 -0.718 0.000 1.014 708 I HN -0.089 nan 8.210 nan 0.000 0.400 709 K N 2.241 122.507 120.400 -0.223 0.000 3.393 709 K HA -0.113 4.222 4.320 0.025 0.000 0.272 709 K C -0.526 175.995 176.600 -0.131 0.000 1.004 709 K CA 0.449 56.652 56.287 -0.141 0.000 0.764 709 K CB -1.518 30.922 32.500 -0.100 0.000 1.373 709 K HN 0.361 nan 8.250 nan 0.000 0.458 710 I N 0.660 121.160 120.570 -0.117 0.000 2.353 710 I HA 0.261 4.445 4.170 0.025 0.000 0.293 710 I C 1.374 177.471 176.117 -0.033 0.000 0.992 710 I CA -0.948 60.309 61.300 -0.071 0.000 1.268 710 I CB 1.001 38.964 38.000 -0.061 0.000 1.387 710 I HN 0.350 nan 8.210 nan 0.000 0.478 711 A N 4.879 127.691 122.820 -0.014 0.000 2.555 711 A HA 0.008 4.343 4.320 0.025 0.000 0.233 711 A C 1.130 178.711 177.584 -0.005 0.000 1.060 711 A CA -0.018 52.015 52.037 -0.007 0.000 0.759 711 A CB 0.005 19.006 19.000 0.002 0.000 0.995 711 A HN 0.771 nan 8.150 nan 0.000 0.506 712 D N 0.345 120.742 120.400 -0.005 0.000 2.133 712 D HA -0.182 4.473 4.640 0.025 0.000 0.195 712 D C 1.990 178.292 176.300 0.003 0.000 0.997 712 D CA 1.936 55.935 54.000 -0.003 0.000 0.840 712 D CB -0.052 40.746 40.800 -0.003 0.000 0.947 712 D HN 0.775 nan 8.370 nan 0.000 0.452 713 Q N 1.112 120.914 119.800 0.003 0.000 2.482 713 Q HA 0.083 4.438 4.340 0.025 0.000 0.209 713 Q C 0.696 176.701 176.000 0.007 0.000 0.961 713 Q CA 1.111 56.917 55.803 0.006 0.000 0.945 713 Q CB -0.025 28.716 28.738 0.005 0.000 1.012 713 Q HN 0.176 nan 8.270 nan 0.000 0.515 714 G N 1.111 109.916 108.800 0.007 0.000 2.655 714 G HA2 -0.183 3.792 3.960 0.025 0.000 0.680 714 G HA3 -0.183 3.792 3.960 0.025 0.000 0.680 714 G C -1.317 173.589 174.900 0.010 0.000 1.302 714 G CA -0.248 44.858 45.100 0.009 0.000 0.872 714 G HN 0.614 nan 8.290 nan 0.000 0.540 715 E N -0.770 119.437 120.200 0.012 0.000 2.372 715 E HA 0.563 4.928 4.350 0.025 0.000 0.279 715 E C -0.752 175.847 176.600 -0.003 0.000 0.946 715 E CA -1.093 55.316 56.400 0.014 0.000 0.769 715 E CB 1.576 31.299 29.700 0.038 0.000 1.230 715 E HN 0.391 nan 8.360 nan 0.000 0.442 716 E N 0.975 121.166 120.200 -0.016 0.000 2.652 716 E HA 0.129 4.493 4.350 0.025 0.000 0.255 716 E C 0.965 177.527 176.600 -0.064 0.000 0.952 716 E CA 1.828 58.203 56.400 -0.042 0.000 0.947 716 E CB 0.671 30.344 29.700 -0.046 0.000 0.912 716 E HN 0.947 nan 8.360 nan 0.000 0.489 717 G N 2.807 111.555 108.800 -0.087 0.000 2.194 717 G HA2 -0.206 3.769 3.960 0.025 0.000 0.236 717 G HA3 -0.206 3.769 3.960 0.025 0.000 0.236 717 G C 0.141 174.989 174.900 -0.087 0.000 0.987 717 G CA -0.232 44.796 45.100 -0.121 0.000 0.635 717 G HN 0.403 nan 8.290 nan 0.000 0.520 718 I N 2.027 122.568 120.570 -0.048 0.000 2.382 718 I HA 0.442 4.627 4.170 0.025 0.000 0.285 718 I C 0.483 176.557 176.117 -0.073 0.000 1.007 718 I CA -1.108 60.171 61.300 -0.035 0.000 1.142 718 I CB 1.351 39.362 38.000 0.018 0.000 1.289 718 I HN -0.113 nan 8.210 nan 0.000 0.453 719 V N 7.490 127.318 119.914 -0.143 0.000 2.461 719 V HA 0.319 4.454 4.120 0.025 0.000 0.275 719 V C 0.274 176.301 176.094 -0.113 0.000 1.047 719 V CA -0.374 61.789 62.300 -0.228 0.000 0.955 719 V CB 0.931 32.454 31.823 -0.499 0.000 0.988 719 V HN 0.856 nan 8.190 nan 0.000 0.471 720 E N 4.289 124.505 120.200 0.027 0.000 2.321 720 E HA 0.869 5.234 4.350 0.025 0.000 0.278 720 E C -0.946 175.794 176.600 0.233 0.000 0.902 720 E CA -0.946 55.566 56.400 0.188 0.000 0.758 720 E CB 2.524 32.288 29.700 0.106 0.000 1.213 720 E HN 0.742 nan 8.360 nan 0.000 0.426 721 A N 1.936 124.930 122.820 0.291 0.000 2.581 721 A HA 0.398 4.733 4.320 0.025 0.000 0.290 721 A C -0.461 177.152 177.584 0.049 0.000 1.119 721 A CA -0.645 51.494 52.037 0.169 0.000 0.670 721 A CB 1.289 20.429 19.000 0.233 0.000 1.280 721 A HN 0.593 nan 8.150 nan 0.000 0.425 722 D N 0.394 120.800 120.400 0.010 0.000 2.178 722 D HA 0.038 4.693 4.640 0.025 0.000 0.201 722 D C 1.030 177.281 176.300 -0.082 0.000 0.980 722 D CA 2.286 56.271 54.000 -0.025 0.000 0.842 722 D CB 0.131 40.920 40.800 -0.018 0.000 0.948 722 D HN 0.751 nan 8.370 nan 0.000 0.472 723 S N -2.007 113.611 115.700 -0.137 0.000 2.638 723 S HA 0.628 5.113 4.470 0.025 0.000 0.274 723 S C 0.359 174.666 174.600 -0.489 0.000 1.157 723 S CA -0.253 57.800 58.200 -0.244 0.000 0.826 723 S CB 1.759 64.870 63.200 -0.149 0.000 1.139 723 S HN -0.070 nan 8.310 nan 0.000 0.474 724 A N 0.755 123.209 122.820 -0.610 0.000 2.239 724 A HA 0.176 4.511 4.320 0.025 0.000 0.209 724 A C 0.873 178.291 177.584 -0.276 0.000 1.171 724 A CA 1.027 52.539 52.037 -0.875 0.000 0.768 724 A CB -1.206 17.447 19.000 -0.577 0.000 0.790 724 A HN 0.929 nan 8.150 nan 0.000 0.478 725 D N -1.454 118.857 120.400 -0.149 0.000 2.403 725 D HA 0.415 5.070 4.640 0.025 0.000 0.278 725 D C 1.227 177.553 176.300 0.042 0.000 1.230 725 D CA 0.369 54.352 54.000 -0.028 0.000 1.062 725 D CB -0.619 40.161 40.800 -0.034 0.000 1.119 725 D HN 0.677 nan 8.370 nan 0.000 0.557 726 G N -0.189 108.633 108.800 0.038 0.000 2.634 726 G HA2 -0.324 3.651 3.960 0.025 0.000 0.309 726 G HA3 -0.324 3.651 3.960 0.025 0.000 0.309 726 G C 0.815 175.764 174.900 0.080 0.000 1.265 726 G CA 2.027 47.158 45.100 0.052 0.000 0.998 726 G HN 1.356 nan 8.290 nan 0.000 0.551 727 S N -0.189 115.565 115.700 0.090 0.000 2.605 727 S HA 0.357 4.842 4.470 0.025 0.000 0.217 727 S C 1.750 176.418 174.600 0.114 0.000 0.958 727 S CA 0.997 59.244 58.200 0.079 0.000 0.919 727 S CB 0.041 63.269 63.200 0.047 0.000 0.780 727 S HN 0.968 nan 8.310 nan 0.000 0.507 728 F N 2.683 122.630 119.950 -0.004 0.000 2.069 728 F HA -0.105 4.437 4.527 0.025 0.000 0.298 728 F C 2.188 177.984 175.800 -0.007 0.000 1.113 728 F CA 1.729 59.726 58.000 -0.005 0.000 1.214 728 F CB -0.236 38.762 39.000 -0.003 0.000 0.978 728 F HN 0.163 nan 8.300 nan 0.000 0.474 729 M N 0.102 119.854 119.600 0.254 0.000 2.175 729 M HA -0.160 4.335 4.480 0.025 0.000 0.264 729 M C 1.801 178.107 176.300 0.010 0.000 1.063 729 M CA 1.333 56.704 55.300 0.117 0.000 1.119 729 M CB -1.378 31.308 32.600 0.143 0.000 1.377 729 M HN 0.122 nan 8.290 nan 0.000 0.415 730 D N 0.536 120.948 120.400 0.020 0.000 2.123 730 D HA -0.153 4.502 4.640 0.025 0.000 0.196 730 D C 1.962 178.237 176.300 -0.041 0.000 0.992 730 D CA 1.210 55.206 54.000 -0.006 0.000 0.833 730 D CB -0.124 40.680 40.800 0.006 0.000 0.954 730 D HN 0.476 nan 8.370 nan 0.000 0.455 731 E N 0.154 120.313 120.200 -0.069 0.000 2.107 731 E HA -0.074 4.291 4.350 0.025 0.000 0.191 731 E C 2.091 178.605 176.600 -0.143 0.000 0.982 731 E CA 0.025 56.365 56.400 -0.101 0.000 0.809 731 E CB 0.022 29.649 29.700 -0.121 0.000 0.756 731 E HN 0.150 nan 8.360 nan 0.000 0.459 732 L N 0.912 122.015 121.223 -0.200 0.000 2.046 732 L HA -0.165 4.190 4.340 0.025 0.000 0.208 732 L C 2.020 178.821 176.870 -0.115 0.000 1.077 732 L CA 1.624 56.343 54.840 -0.202 0.000 0.747 732 L CB -0.348 41.562 42.059 -0.248 0.000 0.896 732 L HN 0.239 nan 8.230 nan 0.000 0.432 733 L N -0.628 120.549 121.223 -0.077 0.000 2.217 733 L HA -0.156 4.199 4.340 0.025 0.000 0.211 733 L C 2.418 179.262 176.870 -0.042 0.000 1.107 733 L CA 1.098 55.910 54.840 -0.047 0.000 0.783 733 L CB -0.586 41.456 42.059 -0.027 0.000 0.919 733 L HN 0.229 nan 8.230 nan 0.000 0.442 734 T N 0.071 114.594 114.554 -0.051 0.000 2.777 734 T HA -0.114 4.251 4.350 0.025 0.000 0.266 734 T C 1.945 176.612 174.700 -0.056 0.000 1.040 734 T CA 1.119 63.193 62.100 -0.042 0.000 1.141 734 T CB -0.153 68.691 68.868 -0.039 0.000 0.868 734 T HN 0.192 nan 8.240 nan 0.000 0.444 735 L N 0.342 121.512 121.223 -0.087 0.000 2.046 735 L HA -0.068 4.287 4.340 0.025 0.000 0.208 735 L C 2.699 179.504 176.870 -0.109 0.000 1.077 735 L CA 1.298 56.067 54.840 -0.118 0.000 0.747 735 L CB -0.565 41.404 42.059 -0.151 0.000 0.896 735 L HN 0.305 nan 8.230 nan 0.000 0.432 736 M N -0.661 118.892 119.600 -0.079 0.000 2.229 736 M HA -0.155 4.339 4.480 0.025 0.000 0.264 736 M C 2.485 178.787 176.300 0.003 0.000 1.063 736 M CA 1.618 56.891 55.300 -0.046 0.000 1.114 736 M CB -0.497 32.086 32.600 -0.029 0.000 1.387 736 M HN 0.314 nan 8.290 nan 0.000 0.420 737 A N 0.339 123.160 122.820 0.003 0.000 2.019 737 A HA 0.013 4.348 4.320 0.025 0.000 0.219 737 A C 2.123 179.747 177.584 0.067 0.000 1.164 737 A CA 1.783 53.842 52.037 0.036 0.000 0.644 737 A CB -0.609 18.406 19.000 0.025 0.000 0.805 737 A HN 0.507 nan 8.150 nan 0.000 0.449 738 A N -2.833 120.006 122.820 0.031 0.000 2.307 738 A HA 0.389 4.724 4.320 0.025 0.000 0.218 738 A C 0.867 178.477 177.584 0.042 0.000 1.228 738 A CA 1.180 53.252 52.037 0.058 0.000 0.857 738 A CB -0.425 18.573 19.000 -0.004 0.000 0.897 738 A HN 0.987 nan 8.150 nan 0.000 0.495 739 H N -1.200 117.809 119.070 -0.102 0.000 4.823 739 H HA -0.176 4.395 4.556 0.025 0.000 0.064 739 H C 0.022 175.132 175.328 -0.363 0.000 0.599 739 H CA 2.338 58.311 56.048 -0.125 0.000 0.956 739 H CB -0.631 29.162 29.762 0.052 0.000 0.432 739 H HN 0.457 nan 8.280 nan 0.000 0.798 740 R N -0.345 119.598 120.500 -0.928 0.000 2.799 740 R HA 0.629 4.983 4.340 0.025 0.000 0.270 740 R C -0.707 174.745 176.300 -1.414 0.000 1.010 740 R CA -0.291 55.017 56.100 -1.320 0.000 0.916 740 R CB 1.761 30.945 30.300 -1.859 0.000 1.228 740 R HN 0.062 nan 8.270 nan 0.000 0.469 741 V N 2.361 121.658 119.914 -1.028 0.000 2.174 741 V HA 0.106 4.241 4.120 0.025 0.000 0.259 741 V C 0.647 176.348 176.094 -0.655 0.000 1.261 741 V CA -0.439 61.434 62.300 -0.711 0.000 1.137 741 V CB -0.333 31.220 31.823 -0.450 0.000 1.290 741 V HN 0.713 nan 8.190 nan 0.000 0.486 742 W N 1.502 122.501 121.300 -0.503 0.000 2.350 742 W HA -0.199 4.476 4.660 0.025 0.000 0.289 742 W C 2.546 178.848 176.519 -0.362 0.000 1.215 742 W CA 0.940 57.897 57.345 -0.648 0.000 1.236 742 W CB -0.512 28.081 29.460 -1.445 0.000 1.130 742 W HN 0.645 nan 8.180 nan 0.000 0.541 743 S N 0.816 116.461 115.700 -0.090 0.000 2.500 743 S HA -0.189 4.296 4.470 0.025 0.000 0.239 743 S C 1.702 176.263 174.600 -0.065 0.000 0.989 743 S CA 1.072 59.244 58.200 -0.046 0.000 0.951 743 S CB -0.451 62.722 63.200 -0.046 0.000 0.759 743 S HN 0.433 nan 8.310 nan 0.000 0.523 744 R N 0.451 120.869 120.500 -0.138 0.000 2.297 744 R HA 0.291 4.646 4.340 0.025 0.000 0.197 744 R C 1.728 177.958 176.300 -0.116 0.000 0.943 744 R CA 0.254 56.250 56.100 -0.173 0.000 1.038 744 R CB -0.309 29.772 30.300 -0.365 0.000 0.957 744 R HN 0.486 nan 8.270 nan 0.000 0.484 745 I N 1.773 122.319 120.570 -0.040 0.000 2.151 745 I HA -0.226 3.959 4.170 0.025 0.000 0.243 745 I C -0.808 175.339 176.117 0.049 0.000 1.080 745 I CA 1.351 62.673 61.300 0.038 0.000 1.339 745 I CB -0.876 37.200 38.000 0.125 0.000 1.039 745 I HN 0.151 nan 8.210 nan 0.000 0.409 746 P HA -0.144 nan 4.420 nan 0.000 0.220 746 P C 1.246 178.578 177.300 0.053 0.000 1.148 746 P CA 1.330 64.463 63.100 0.055 0.000 0.803 746 P CB 0.024 31.753 31.700 0.050 0.000 0.782 747 K N -0.218 120.209 120.400 0.044 0.000 2.155 747 K HA 0.001 4.336 4.320 0.025 0.000 0.203 747 K C 2.022 178.688 176.600 0.110 0.000 1.052 747 K CA 0.857 57.194 56.287 0.084 0.000 0.948 747 K CB -0.865 31.707 32.500 0.120 0.000 0.728 747 K HN 0.291 nan 8.250 nan 0.000 0.448 748 I N -1.844 118.759 120.570 0.054 0.000 2.617 748 I HA -0.062 4.123 4.170 0.025 0.000 0.256 748 I C 1.486 177.648 176.117 0.075 0.000 1.167 748 I CA 1.270 62.609 61.300 0.065 0.000 1.469 748 I CB -0.218 37.765 38.000 -0.028 0.000 1.098 748 I HN -0.067 nan 8.210 nan 0.000 0.436 749 D N 2.707 123.150 120.400 0.072 0.000 2.244 749 D HA -0.258 4.397 4.640 0.025 0.000 0.197 749 D C 1.834 178.178 176.300 0.073 0.000 1.006 749 D CA 1.992 56.038 54.000 0.077 0.000 0.888 749 D CB 0.052 40.898 40.800 0.077 0.000 0.912 749 D HN 0.657 nan 8.370 nan 0.000 0.452 750 K N -0.478 119.964 120.400 0.070 0.000 2.387 750 K HA 0.147 4.481 4.320 0.025 0.000 0.203 750 K C 0.626 177.261 176.600 0.058 0.000 1.030 750 K CA -0.389 55.934 56.287 0.061 0.000 1.099 750 K CB 0.471 33.002 32.500 0.053 0.000 0.863 750 K HN 0.200 nan 8.250 nan 0.000 0.529 751 I N 4.486 125.097 120.570 0.068 0.000 2.496 751 I HA 0.087 4.272 4.170 0.025 0.000 0.285 751 I C -2.100 174.048 176.117 0.053 0.000 1.080 751 I CA -2.230 59.106 61.300 0.061 0.000 1.404 751 I CB 1.045 39.099 38.000 0.091 0.000 1.403 751 I HN 0.002 nan 8.210 nan 0.000 0.539 752 P HA 0.359 nan 4.420 nan 0.000 0.247 752 P C -1.003 176.354 177.300 0.095 0.000 1.756 752 P CA -0.070 63.066 63.100 0.061 0.000 1.117 752 P CB 0.385 32.115 31.700 0.050 0.000 1.869 753 A N 0.000 122.878 122.820 0.096 0.000 2.254 753 A HA 0.000 4.335 4.320 0.025 0.000 0.244 753 A CA 0.000 52.132 52.037 0.158 0.000 0.836 753 A CB 0.000 18.987 19.000 -0.021 0.000 0.831 753 A HN 0.000 nan 8.150 nan 0.000 0.486