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 1oel_1_C DATA FIRST_RESID 2 DATA SEQUENCE AAKDVKFGND AGVKMLRGVN VLADAVKVTL GPKGRNVVLD KSFGAPTITK DATA SEQUENCE DGVSVAREIE LEDKFENMGA QMVKEVASKA NDAAGDGTTT ATVLAQAIIT DATA SEQUENCE EGLKAVAAGM NPMDLKRGID KAVTVAVEEL KALSVPCSDS KAIAQVGTIS DATA SEQUENCE ANSDETVGKL IAEAMDKVGK EGVITVEDGT GLQDELDVVE GMQFDRGYLS DATA SEQUENCE PYFINKPETG AVELESPFIL LADKKISNIR EMLPVLEAVA KAGKPLLIIA DATA SEQUENCE EDVEGEALAT AVVNTIRGIV KVAAVKAPGF GDRRKAMLQD IATLTGGTVI DATA SEQUENCE SEEIGMELEK ATLEDLGQAK RVVINKDTTT IIDGVGEEAA IQGRVAQIRQ DATA SEQUENCE QIEEATSDYD REKLQERVAK LAGGVAVIKV GAATEVEMKE KKARVEDALH DATA SEQUENCE ATRAAVEEGV VAGGGVALIR VASKLADLRG QNEDQNVGIK VALRAMEAPL DATA SEQUENCE RQIVLNCGEE PSVVANTVKG GDGNYGYNAA TEEYGNMIDM GILDPTKVTR DATA SEQUENCE SALQYAASVA GLMITTECMV TDLP 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.579 177.584 -0.008 0.000 1.274 2 A CA 0.000 52.031 52.037 -0.011 0.000 0.836 2 A CB 0.000 18.990 19.000 -0.016 0.000 0.831 3 A N 1.606 124.424 122.820 -0.003 0.000 2.587 3 A HA 0.463 4.783 4.320 -0.000 0.000 0.235 3 A C 0.369 177.953 177.584 -0.001 0.000 1.044 3 A CA 0.607 52.647 52.037 0.004 0.000 0.754 3 A CB -0.161 18.844 19.000 0.008 0.000 0.968 3 A HN 0.629 nan 8.150 nan 0.000 0.509 4 K N 1.158 121.562 120.400 0.007 0.000 2.211 4 K HA 0.459 4.779 4.320 -0.000 0.000 0.237 4 K C -1.070 175.548 176.600 0.029 0.000 1.002 4 K CA -0.691 55.598 56.287 0.003 0.000 0.885 4 K CB 1.355 33.858 32.500 0.004 0.000 1.136 4 K HN 0.735 nan 8.250 nan 0.000 0.448 5 D N 0.932 121.357 120.400 0.041 0.000 2.408 5 D HA 0.342 4.981 4.640 -0.000 0.000 0.243 5 D C -1.366 175.066 176.300 0.221 0.000 1.075 5 D CA -0.567 53.514 54.000 0.134 0.000 0.832 5 D CB 1.354 42.248 40.800 0.156 0.000 1.162 5 D HN 0.044 nan 8.370 nan 0.000 0.515 6 V N 4.250 124.255 119.914 0.151 0.000 2.495 6 V HA 0.481 4.601 4.120 -0.000 0.000 0.298 6 V C 0.123 176.121 176.094 -0.160 0.000 1.031 6 V CA -0.754 61.544 62.300 -0.003 0.000 0.871 6 V CB 1.908 33.676 31.823 -0.090 0.000 0.988 6 V HN 0.379 nan 8.190 nan 0.000 0.432 7 K N 3.517 123.695 120.400 -0.369 0.000 2.318 7 K HA 0.764 5.084 4.320 -0.000 0.000 0.249 7 K C -1.643 174.615 176.600 -0.569 0.000 0.942 7 K CA -0.504 55.510 56.287 -0.454 0.000 0.808 7 K CB 2.473 34.536 32.500 -0.729 0.000 1.189 7 K HN 0.455 nan 8.250 nan 0.000 0.428 8 F N -0.156 119.735 119.950 -0.098 0.000 2.593 8 F HA 0.433 4.960 4.527 -0.000 0.000 0.320 8 F C 1.149 176.911 175.800 -0.062 0.000 1.060 8 F CA -0.073 57.894 58.000 -0.056 0.000 0.940 8 F CB 1.759 40.738 39.000 -0.035 0.000 1.268 8 F HN 0.814 nan 8.300 nan 0.000 0.475 9 G N 1.848 110.741 108.800 0.155 0.000 2.627 9 G HA2 -0.420 3.540 3.960 -0.000 0.000 0.312 9 G HA3 -0.420 3.540 3.960 -0.000 0.000 0.312 9 G C 0.901 175.813 174.900 0.020 0.000 1.299 9 G CA 0.899 46.042 45.100 0.072 0.000 0.989 9 G HN 0.830 nan 8.290 nan 0.000 0.547 10 N N 0.499 119.206 118.700 0.012 0.000 2.258 10 N HA -0.107 4.633 4.740 -0.000 0.000 0.187 10 N C 1.593 177.085 175.510 -0.029 0.000 1.012 10 N CA 1.258 54.304 53.050 -0.007 0.000 0.870 10 N CB -0.170 38.315 38.487 -0.004 0.000 0.977 10 N HN 0.522 nan 8.380 nan 0.000 0.434 11 D N 0.741 121.117 120.400 -0.041 0.000 2.097 11 D HA -0.067 4.573 4.640 -0.000 0.000 0.195 11 D C 1.950 178.159 176.300 -0.152 0.000 0.989 11 D CA 1.035 54.979 54.000 -0.092 0.000 0.827 11 D CB -0.288 40.448 40.800 -0.107 0.000 0.966 11 D HN 0.256 nan 8.370 nan 0.000 0.456 12 A N 0.278 123.002 122.820 -0.159 0.000 2.015 12 A HA 0.049 4.369 4.320 -0.000 0.000 0.219 12 A C 2.267 179.805 177.584 -0.078 0.000 1.163 12 A CA 1.872 53.803 52.037 -0.177 0.000 0.646 12 A CB -0.959 17.957 19.000 -0.141 0.000 0.806 12 A HN 0.296 nan 8.150 nan 0.000 0.448 13 G N 0.230 109.001 108.800 -0.048 0.000 2.453 13 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.215 13 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.215 13 G C 1.670 176.560 174.900 -0.017 0.000 1.201 13 G CA 2.185 47.273 45.100 -0.020 0.000 0.784 13 G HN 1.001 nan 8.290 nan 0.000 0.545 14 V N -0.988 118.911 119.914 -0.025 0.000 2.469 14 V HA -0.123 3.997 4.120 -0.000 0.000 0.251 14 V C 2.524 178.613 176.094 -0.008 0.000 1.064 14 V CA 2.280 64.570 62.300 -0.016 0.000 1.066 14 V CB -0.544 31.267 31.823 -0.020 0.000 0.667 14 V HN 0.089 nan 8.190 nan 0.000 0.461 15 K N 0.268 120.655 120.400 -0.022 0.000 2.002 15 K HA -0.007 4.313 4.320 -0.000 0.000 0.209 15 K C 2.272 178.899 176.600 0.046 0.000 1.048 15 K CA 2.245 58.542 56.287 0.017 0.000 0.930 15 K CB -0.602 31.900 32.500 0.003 0.000 0.714 15 K HN 0.559 nan 8.250 nan 0.000 0.438 16 M N 0.341 119.963 119.600 0.037 0.000 2.117 16 M HA -0.166 4.314 4.480 -0.000 0.000 0.262 16 M C 2.212 178.529 176.300 0.028 0.000 1.065 16 M CA 1.034 56.359 55.300 0.041 0.000 1.114 16 M CB -0.378 32.242 32.600 0.034 0.000 1.361 16 M HN 0.008 nan 8.290 nan 0.000 0.408 17 L N 0.727 121.961 121.223 0.018 0.000 2.079 17 L HA -0.183 4.157 4.340 -0.000 0.000 0.210 17 L C 2.456 179.335 176.870 0.016 0.000 1.081 17 L CA 1.892 56.741 54.840 0.014 0.000 0.752 17 L CB -0.546 41.519 42.059 0.009 0.000 0.896 17 L HN 0.174 nan 8.230 nan 0.000 0.433 18 R N -0.937 119.574 120.500 0.019 0.000 2.075 18 R HA -0.059 4.281 4.340 -0.000 0.000 0.232 18 R C 2.182 178.495 176.300 0.022 0.000 1.126 18 R CA 1.159 57.271 56.100 0.020 0.000 0.963 18 R CB -0.976 29.338 30.300 0.023 0.000 0.858 18 R HN 0.545 nan 8.270 nan 0.000 0.435 19 G N 0.459 109.276 108.800 0.028 0.000 2.422 19 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.218 19 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.218 19 G C 1.456 176.366 174.900 0.018 0.000 1.140 19 G CA 0.415 45.530 45.100 0.025 0.000 0.775 19 G HN 0.111 nan 8.290 nan 0.000 0.545 20 V N 1.282 121.207 119.914 0.018 0.000 2.379 20 V HA -0.122 3.998 4.120 -0.000 0.000 0.245 20 V C 2.558 178.658 176.094 0.011 0.000 1.044 20 V CA 1.533 63.842 62.300 0.014 0.000 1.036 20 V CB -0.351 31.481 31.823 0.015 0.000 0.664 20 V HN 0.291 nan 8.190 nan 0.000 0.453 21 N N 0.282 118.989 118.700 0.011 0.000 2.223 21 N HA -0.114 4.626 4.740 -0.000 0.000 0.185 21 N C 1.743 177.258 175.510 0.008 0.000 1.016 21 N CA 1.226 54.281 53.050 0.009 0.000 0.863 21 N CB -0.282 38.210 38.487 0.009 0.000 0.983 21 N HN 0.353 nan 8.380 nan 0.000 0.429 22 V N 1.351 121.270 119.914 0.008 0.000 2.307 22 V HA -0.157 3.963 4.120 -0.000 0.000 0.245 22 V C 2.376 178.472 176.094 0.004 0.000 1.045 22 V CA 0.977 63.281 62.300 0.007 0.000 1.024 22 V CB -0.560 31.267 31.823 0.007 0.000 0.651 22 V HN 0.182 nan 8.190 nan 0.000 0.449 23 L N 1.089 122.315 121.223 0.004 0.000 1.994 23 L HA -0.096 4.244 4.340 -0.000 0.000 0.208 23 L C 2.424 179.295 176.870 0.001 0.000 1.071 23 L CA 2.587 57.428 54.840 0.001 0.000 0.745 23 L CB -0.964 41.096 42.059 0.001 0.000 0.892 23 L HN 0.200 nan 8.230 nan 0.000 0.431 24 A N -0.809 122.013 122.820 0.004 0.000 1.898 24 A HA -0.193 4.127 4.320 -0.000 0.000 0.216 24 A C 1.968 179.554 177.584 0.003 0.000 1.181 24 A CA 1.776 53.816 52.037 0.004 0.000 0.620 24 A CB -0.897 18.106 19.000 0.006 0.000 0.819 24 A HN 0.569 nan 8.150 nan 0.000 0.442 25 D N 0.155 120.557 120.400 0.004 0.000 2.178 25 D HA -0.018 4.622 4.640 -0.000 0.000 0.201 25 D C 2.160 178.461 176.300 0.002 0.000 0.980 25 D CA 1.402 55.404 54.000 0.003 0.000 0.842 25 D CB -0.370 40.431 40.800 0.003 0.000 0.948 25 D HN 0.435 nan 8.370 nan 0.000 0.472 26 A N 0.464 123.285 122.820 0.001 0.000 1.873 26 A HA -0.099 4.221 4.320 -0.000 0.000 0.215 26 A C 2.497 180.081 177.584 -0.001 0.000 1.186 26 A CA 1.068 53.105 52.037 0.000 0.000 0.616 26 A CB -0.713 18.287 19.000 -0.001 0.000 0.823 26 A HN 0.134 nan 8.150 nan 0.000 0.442 27 V N 1.515 121.429 119.914 -0.001 0.000 2.358 27 V HA -0.254 3.866 4.120 -0.000 0.000 0.246 27 V C 2.529 178.623 176.094 -0.000 0.000 1.047 27 V CA 2.269 64.568 62.300 -0.002 0.000 1.035 27 V CB -0.759 31.062 31.823 -0.003 0.000 0.658 27 V HN 0.845 nan 8.190 nan 0.000 0.452 28 K N 1.373 121.773 120.400 0.001 0.000 2.442 28 K HA -0.082 4.238 4.320 -0.000 0.000 0.198 28 K C 1.840 178.441 176.600 0.002 0.000 1.042 28 K CA 1.581 57.870 56.287 0.002 0.000 0.958 28 K CB -0.581 31.921 32.500 0.003 0.000 0.766 28 K HN 0.488 nan 8.250 nan 0.000 0.474 29 V N 0.141 120.056 119.914 0.001 0.000 2.720 29 V HA -0.178 3.942 4.120 -0.000 0.000 0.256 29 V C 2.268 178.363 176.094 0.002 0.000 1.082 29 V CA 1.912 64.213 62.300 0.001 0.000 1.101 29 V CB -1.276 30.548 31.823 0.001 0.000 0.693 29 V HN 0.544 nan 8.190 nan 0.000 0.479 30 T N -2.246 112.308 114.554 0.001 0.000 3.148 30 T HA 0.215 4.565 4.350 -0.000 0.000 0.253 30 T C 0.533 175.234 174.700 0.002 0.000 1.134 30 T CA -0.062 62.039 62.100 0.001 0.000 1.051 30 T CB -0.385 68.483 68.868 -0.000 0.000 0.959 30 T HN 0.357 nan 8.240 nan 0.000 0.525 31 L N 2.389 123.614 121.223 0.003 0.000 2.410 31 L HA 0.553 4.893 4.340 -0.000 0.000 0.273 31 L C 0.839 177.712 176.870 0.006 0.000 1.152 31 L CA 1.601 56.444 54.840 0.005 0.000 0.855 31 L CB -0.249 41.813 42.059 0.005 0.000 1.129 31 L HN 0.680 nan 8.230 nan 0.000 0.463 32 G N 4.266 113.070 108.800 0.006 0.000 2.707 32 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.686 32 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.686 32 G C -2.049 172.853 174.900 0.002 0.000 1.315 32 G CA -0.325 44.779 45.100 0.007 0.000 0.832 32 G HN 0.561 nan 8.290 nan 0.000 0.573 33 P HA 0.004 nan 4.420 nan 0.000 0.220 33 P C 0.887 178.184 177.300 -0.005 0.000 1.148 33 P CA 1.190 64.284 63.100 -0.009 0.000 0.803 33 P CB 0.081 31.768 31.700 -0.022 0.000 0.782 34 K N 0.443 120.844 120.400 0.002 0.000 2.675 34 K HA 0.329 4.649 4.320 -0.000 0.000 0.213 34 K C 0.838 177.441 176.600 0.005 0.000 1.074 34 K CA -0.269 56.020 56.287 0.004 0.000 1.172 34 K CB -0.280 32.226 32.500 0.010 0.000 0.927 34 K HN 0.031 nan 8.250 nan 0.000 0.471 35 G N 1.051 109.853 108.800 0.003 0.000 2.441 35 G HA2 0.109 4.069 3.960 -0.000 0.000 0.243 35 G HA3 0.109 4.069 3.960 -0.000 0.000 0.243 35 G C -0.080 174.822 174.900 0.002 0.000 1.281 35 G CA -0.506 44.595 45.100 0.003 0.000 0.854 35 G HN 0.079 nan 8.290 nan 0.000 0.560 36 R N 1.134 121.635 120.500 0.002 0.000 2.543 36 R HA 0.260 4.599 4.340 -0.000 0.000 0.268 36 R C 0.416 176.717 176.300 0.001 0.000 1.067 36 R CA -0.810 55.291 56.100 0.002 0.000 1.142 36 R CB 0.279 30.580 30.300 0.002 0.000 1.110 36 R HN 0.563 nan 8.270 nan 0.000 0.549 37 N N -0.208 118.493 118.700 0.001 0.000 2.445 37 N HA 0.270 5.010 4.740 -0.000 0.000 0.264 37 N C -0.720 174.791 175.510 0.001 0.000 1.227 37 N CA -0.252 52.799 53.050 0.001 0.000 0.963 37 N CB 1.372 39.860 38.487 0.001 0.000 1.188 37 N HN 0.056 nan 8.380 nan 0.000 0.491 38 V N 1.477 121.392 119.914 0.001 0.000 2.577 38 V HA 0.238 4.358 4.120 -0.000 0.000 0.303 38 V C -0.267 175.828 176.094 0.001 0.000 1.042 38 V CA -0.813 61.487 62.300 0.001 0.000 0.872 38 V CB 2.094 33.916 31.823 -0.001 0.000 0.998 38 V HN 0.298 nan 8.190 nan 0.000 0.423 39 V N 6.450 126.365 119.914 0.002 0.000 2.383 39 V HA 0.459 4.579 4.120 -0.000 0.000 0.275 39 V C -0.177 175.920 176.094 0.003 0.000 1.036 39 V CA -0.391 61.911 62.300 0.004 0.000 0.889 39 V CB 1.273 33.099 31.823 0.005 0.000 0.985 39 V HN 0.618 nan 8.190 nan 0.000 0.459 40 L N 3.970 125.196 121.223 0.004 0.000 2.294 40 L HA 0.492 4.832 4.340 -0.000 0.000 0.283 40 L C 0.057 176.933 176.870 0.009 0.000 1.015 40 L CA -0.576 54.266 54.840 0.003 0.000 0.831 40 L CB 1.394 43.452 42.059 -0.002 0.000 1.217 40 L HN 0.513 nan 8.230 nan 0.000 0.420 41 D N 3.822 124.228 120.400 0.010 0.000 2.423 41 D HA 0.156 4.796 4.640 -0.000 0.000 0.238 41 D C -0.480 175.835 176.300 0.024 0.000 1.142 41 D CA 0.393 54.403 54.000 0.017 0.000 0.884 41 D CB 0.859 41.667 40.800 0.013 0.000 1.199 41 D HN 0.220 nan 8.370 nan 0.000 0.438 42 K N 0.866 121.290 120.400 0.040 0.000 2.501 42 K HA 0.194 4.514 4.320 -0.000 0.000 0.252 42 K C 0.576 177.224 176.600 0.079 0.000 0.934 42 K CA -0.586 55.740 56.287 0.066 0.000 0.797 42 K CB 1.618 34.178 32.500 0.100 0.000 1.270 42 K HN 0.327 nan 8.250 nan 0.000 0.431 43 S N 0.787 116.541 115.700 0.091 0.000 2.436 43 S HA -0.059 4.411 4.470 -0.000 0.000 0.228 43 S C 1.627 176.290 174.600 0.106 0.000 1.014 43 S CA 0.213 58.459 58.200 0.078 0.000 0.950 43 S CB -0.329 62.910 63.200 0.067 0.000 0.784 43 S HN 0.552 nan 8.310 nan 0.000 0.504 44 F N 3.247 123.191 119.950 -0.010 0.000 2.408 44 F HA 0.253 4.780 4.527 0.000 0.000 0.300 44 F C 1.370 177.166 175.800 -0.008 0.000 1.090 44 F CA 0.669 58.664 58.000 -0.010 0.000 1.427 44 F CB -0.352 38.641 39.000 -0.011 0.000 1.070 44 F HN 0.460 nan 8.300 nan 0.000 0.549 45 G N -1.047 107.777 108.800 0.040 0.000 2.520 45 G HA2 0.360 4.320 3.960 -0.000 0.000 0.067 45 G HA3 0.360 4.320 3.960 -0.000 0.000 0.067 45 G C -1.072 173.839 174.900 0.019 0.000 0.977 45 G CA -0.305 44.776 45.100 -0.031 0.000 1.152 45 G HN 0.389 nan 8.290 nan 0.000 0.479 46 A N 1.205 124.043 122.820 0.029 0.000 2.316 46 A HA 0.799 5.119 4.320 -0.000 0.000 0.284 46 A C -2.032 175.577 177.584 0.042 0.000 1.115 46 A CA -0.798 51.255 52.037 0.027 0.000 0.812 46 A CB -0.086 18.925 19.000 0.019 0.000 1.064 46 A HN 0.407 nan 8.150 nan 0.000 0.489 47 P HA 0.199 nan 4.420 nan 0.000 0.270 47 P C -0.059 177.257 177.300 0.027 0.000 1.227 47 P CA 0.146 63.263 63.100 0.028 0.000 0.788 47 P CB 0.323 32.033 31.700 0.017 0.000 0.926 48 T N -1.165 113.402 114.554 0.022 0.000 2.771 48 T HA 0.629 4.979 4.350 -0.000 0.000 0.281 48 T C -0.029 174.677 174.700 0.009 0.000 0.982 48 T CA -0.736 61.373 62.100 0.016 0.000 0.978 48 T CB 0.085 68.959 68.868 0.011 0.000 0.930 48 T HN 0.141 nan 8.240 nan 0.000 0.447 49 I N 3.163 123.737 120.570 0.008 0.000 2.315 49 I HA 0.472 4.642 4.170 -0.000 0.000 0.291 49 I C 0.591 176.710 176.117 0.003 0.000 1.006 49 I CA -0.442 60.861 61.300 0.005 0.000 1.265 49 I CB 1.527 39.530 38.000 0.005 0.000 1.387 49 I HN 0.732 nan 8.210 nan 0.000 0.475 50 T N 4.642 119.197 114.554 0.001 0.000 2.864 50 T HA 0.421 4.771 4.350 -0.000 0.000 0.299 50 T C 0.078 174.777 174.700 -0.001 0.000 1.166 50 T CA -0.561 61.538 62.100 -0.001 0.000 1.007 50 T CB 1.760 70.626 68.868 -0.003 0.000 1.219 50 T HN 0.661 nan 8.240 nan 0.000 0.506 51 K N 0.805 121.204 120.400 -0.002 0.000 2.477 51 K HA 0.175 4.495 4.320 -0.000 0.000 0.208 51 K C -0.547 176.052 176.600 -0.002 0.000 1.117 51 K CA -0.336 55.950 56.287 -0.001 0.000 1.039 51 K CB 0.621 33.120 32.500 -0.001 0.000 0.937 51 K HN 0.417 nan 8.250 nan 0.000 0.570 52 D N 0.991 121.389 120.400 -0.004 0.000 2.374 52 D HA 0.058 4.698 4.640 -0.000 0.000 0.240 52 D C 1.111 177.407 176.300 -0.007 0.000 1.229 52 D CA 0.034 54.031 54.000 -0.005 0.000 0.895 52 D CB 1.126 41.922 40.800 -0.006 0.000 1.046 52 D HN 0.279 nan 8.370 nan 0.000 0.498 53 G N 2.676 111.473 108.800 -0.006 0.000 2.485 53 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.221 53 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.221 53 G C 1.576 176.469 174.900 -0.011 0.000 1.115 53 G CA 0.506 45.602 45.100 -0.007 0.000 0.751 53 G HN 0.488 nan 8.290 nan 0.000 0.567 54 V N 0.764 120.670 119.914 -0.013 0.000 2.453 54 V HA -0.144 3.976 4.120 -0.000 0.000 0.247 54 V C 3.052 179.134 176.094 -0.021 0.000 1.048 54 V CA 2.105 64.394 62.300 -0.019 0.000 1.049 54 V CB -0.203 31.607 31.823 -0.021 0.000 0.672 54 V HN 0.378 nan 8.190 nan 0.000 0.457 55 S N -0.095 115.594 115.700 -0.018 0.000 2.368 55 S HA -0.153 4.317 4.470 -0.000 0.000 0.224 55 S C 2.027 176.616 174.600 -0.019 0.000 1.029 55 S CA 1.426 59.614 58.200 -0.021 0.000 0.988 55 S CB -0.168 63.022 63.200 -0.018 0.000 0.838 55 S HN 0.389 nan 8.310 nan 0.000 0.462 56 V N 2.298 122.204 119.914 -0.014 0.000 2.261 56 V HA -0.229 3.891 4.120 -0.000 0.000 0.246 56 V C 2.722 178.808 176.094 -0.014 0.000 1.047 56 V CA 1.778 64.071 62.300 -0.012 0.000 1.015 56 V CB -1.331 30.487 31.823 -0.008 0.000 0.642 56 V HN 0.544 nan 8.190 nan 0.000 0.446 57 A N 0.049 122.860 122.820 -0.015 0.000 1.908 57 A HA -0.304 4.016 4.320 -0.000 0.000 0.218 57 A C 2.402 179.974 177.584 -0.020 0.000 1.181 57 A CA 2.247 54.274 52.037 -0.016 0.000 0.627 57 A CB -0.673 18.316 19.000 -0.019 0.000 0.818 57 A HN 0.505 nan 8.150 nan 0.000 0.445 58 R N -0.460 120.025 120.500 -0.024 0.000 2.159 58 R HA -0.146 4.193 4.340 -0.000 0.000 0.237 58 R C 1.207 177.490 176.300 -0.028 0.000 1.131 58 R CA 1.591 57.673 56.100 -0.030 0.000 0.982 58 R CB -0.082 30.197 30.300 -0.035 0.000 0.868 58 R HN 0.474 nan 8.270 nan 0.000 0.453 59 E N 0.159 120.345 120.200 -0.023 0.000 2.474 59 E HA 0.019 4.369 4.350 -0.000 0.000 0.194 59 E C 0.082 176.672 176.600 -0.016 0.000 1.041 59 E CA 0.095 56.483 56.400 -0.020 0.000 0.874 59 E CB 0.357 30.047 29.700 -0.016 0.000 0.914 59 E HN 0.266 nan 8.360 nan 0.000 0.498 60 I N 2.313 122.874 120.570 -0.014 0.000 2.421 60 I HA 0.129 4.299 4.170 -0.000 0.000 0.291 60 I C 0.346 176.456 176.117 -0.012 0.000 1.089 60 I CA 0.246 61.539 61.300 -0.011 0.000 1.354 60 I CB -0.033 37.962 38.000 -0.008 0.000 1.413 60 I HN -0.042 nan 8.210 nan 0.000 0.513 61 E N 7.442 127.636 120.200 -0.011 0.000 2.290 61 E HA 0.545 4.895 4.350 -0.000 0.000 0.274 61 E C -1.654 174.941 176.600 -0.009 0.000 0.889 61 E CA -0.628 55.765 56.400 -0.012 0.000 0.760 61 E CB 1.996 31.687 29.700 -0.016 0.000 1.206 61 E HN 0.461 nan 8.360 nan 0.000 0.419 62 L N 3.394 124.611 121.223 -0.009 0.000 2.352 62 L HA 0.379 4.718 4.340 -0.000 0.000 0.269 62 L C 1.438 178.303 176.870 -0.009 0.000 1.034 62 L CA -0.546 54.292 54.840 -0.004 0.000 0.806 62 L CB 1.509 43.571 42.059 0.004 0.000 1.244 62 L HN 0.781 nan 8.230 nan 0.000 0.447 63 E N 0.548 120.746 120.200 -0.004 0.000 2.028 63 E HA -0.159 4.191 4.350 -0.000 0.000 0.190 63 E C 0.473 177.067 176.600 -0.011 0.000 0.984 63 E CA 0.449 56.844 56.400 -0.008 0.000 0.800 63 E CB 0.271 29.970 29.700 -0.001 0.000 0.758 63 E HN 0.652 nan 8.360 nan 0.000 0.448 64 D N 0.705 121.109 120.400 0.006 0.000 2.434 64 D HA -0.073 4.567 4.640 -0.000 0.000 0.252 64 D C 0.722 177.009 176.300 -0.021 0.000 1.185 64 D CA 0.044 54.055 54.000 0.018 0.000 0.886 64 D CB 0.943 41.783 40.800 0.066 0.000 1.148 64 D HN 0.029 nan 8.370 nan 0.000 0.483 65 K N 3.758 124.094 120.400 -0.108 0.000 2.063 65 K HA -0.173 4.147 4.320 -0.000 0.000 0.208 65 K C 1.965 178.405 176.600 -0.267 0.000 1.048 65 K CA 1.216 57.359 56.287 -0.240 0.000 0.928 65 K CB -0.458 31.800 32.500 -0.403 0.000 0.713 65 K HN 0.484 nan 8.250 nan 0.000 0.442 66 F N 1.881 121.819 119.950 -0.020 0.000 2.084 66 F HA -0.092 4.435 4.527 -0.000 0.000 0.296 66 F C 2.467 178.256 175.800 -0.018 0.000 1.111 66 F CA 1.208 59.193 58.000 -0.024 0.000 1.224 66 F CB -0.667 38.318 39.000 -0.026 0.000 0.991 66 F HN 0.115 nan 8.300 nan 0.000 0.471 67 E N -0.012 120.289 120.200 0.168 0.000 2.085 67 E HA -0.264 4.086 4.350 -0.000 0.000 0.194 67 E C 2.050 178.677 176.600 0.046 0.000 0.994 67 E CA 1.202 57.656 56.400 0.090 0.000 0.801 67 E CB -0.487 29.253 29.700 0.067 0.000 0.743 67 E HN 0.439 nan 8.360 nan 0.000 0.453 68 N N 0.476 119.187 118.700 0.020 0.000 2.223 68 N HA -0.152 4.588 4.740 -0.000 0.000 0.185 68 N C 1.851 177.358 175.510 -0.005 0.000 1.016 68 N CA 0.787 53.834 53.050 -0.004 0.000 0.863 68 N CB 0.042 38.513 38.487 -0.027 0.000 0.983 68 N HN 0.188 nan 8.380 nan 0.000 0.429 69 M N -0.025 119.574 119.600 -0.001 0.000 2.175 69 M HA -0.049 4.431 4.480 -0.000 0.000 0.264 69 M C 2.304 178.617 176.300 0.021 0.000 1.063 69 M CA 1.449 56.751 55.300 0.003 0.000 1.119 69 M CB -0.389 32.218 32.600 0.011 0.000 1.377 69 M HN 0.187 nan 8.290 nan 0.000 0.415 70 G N -0.021 108.802 108.800 0.038 0.000 2.418 70 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.217 70 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.217 70 G C 1.594 176.505 174.900 0.020 0.000 1.158 70 G CA 1.002 46.122 45.100 0.033 0.000 0.771 70 G HN 0.533 nan 8.290 nan 0.000 0.545 71 A N 0.004 122.833 122.820 0.015 0.000 1.898 71 A HA -0.019 4.301 4.320 -0.000 0.000 0.216 71 A C 2.393 179.977 177.584 0.000 0.000 1.181 71 A CA 1.794 53.835 52.037 0.007 0.000 0.620 71 A CB -0.283 18.719 19.000 0.004 0.000 0.819 71 A HN 0.307 nan 8.150 nan 0.000 0.442 72 Q N -0.724 119.074 119.800 -0.002 0.000 2.224 72 Q HA -0.047 4.293 4.340 -0.000 0.000 0.203 72 Q C 2.022 178.018 176.000 -0.006 0.000 0.970 72 Q CA 1.250 57.048 55.803 -0.008 0.000 0.865 72 Q CB -0.484 28.247 28.738 -0.012 0.000 0.922 72 Q HN 0.771 nan 8.270 nan 0.000 0.445 73 M N -0.417 119.184 119.600 0.002 0.000 2.064 73 M HA -0.141 4.339 4.480 -0.000 0.000 0.260 73 M C 2.244 178.546 176.300 0.004 0.000 1.073 73 M CA 1.173 56.477 55.300 0.006 0.000 1.124 73 M CB -0.295 32.314 32.600 0.014 0.000 1.326 73 M HN -0.055 nan 8.290 nan 0.000 0.410 74 V N 0.671 120.589 119.914 0.006 0.000 2.392 74 V HA -0.306 3.813 4.120 -0.000 0.000 0.249 74 V C 2.149 178.237 176.094 -0.009 0.000 1.059 74 V CA 1.840 64.144 62.300 0.006 0.000 1.051 74 V CB -0.786 31.043 31.823 0.009 0.000 0.658 74 V HN 0.445 nan 8.190 nan 0.000 0.455 75 K N -0.375 120.016 120.400 -0.014 0.000 2.057 75 K HA -0.214 4.106 4.320 -0.000 0.000 0.207 75 K C 2.298 178.873 176.600 -0.042 0.000 1.049 75 K CA 1.584 57.855 56.287 -0.026 0.000 0.931 75 K CB -0.194 32.292 32.500 -0.022 0.000 0.714 75 K HN 0.491 nan 8.250 nan 0.000 0.440 76 E N 0.702 120.880 120.200 -0.036 0.000 2.047 76 E HA -0.160 4.190 4.350 -0.000 0.000 0.191 76 E C 1.997 178.547 176.600 -0.084 0.000 0.987 76 E CA 1.194 57.565 56.400 -0.048 0.000 0.799 76 E CB 0.205 29.889 29.700 -0.027 0.000 0.752 76 E HN 0.049 nan 8.360 nan 0.000 0.449 77 V N 1.297 121.172 119.914 -0.065 0.000 2.270 77 V HA -0.219 3.901 4.120 -0.000 0.000 0.245 77 V C 2.540 178.503 176.094 -0.218 0.000 1.043 77 V CA 1.724 63.965 62.300 -0.099 0.000 1.014 77 V CB -0.887 30.953 31.823 0.027 0.000 0.645 77 V HN 0.354 nan 8.190 nan 0.000 0.447 78 A N 0.886 123.640 122.820 -0.111 0.000 1.986 78 A HA -0.247 4.073 4.320 -0.000 0.000 0.220 78 A C 2.524 180.004 177.584 -0.172 0.000 1.171 78 A CA 2.380 54.355 52.037 -0.105 0.000 0.640 78 A CB -0.765 18.212 19.000 -0.039 0.000 0.811 78 A HN 0.715 nan 8.150 nan 0.000 0.451 79 S N -0.302 115.296 115.700 -0.171 0.000 2.423 79 S HA -0.131 4.338 4.470 -0.000 0.000 0.231 79 S C 1.734 176.191 174.600 -0.237 0.000 1.014 79 S CA 1.324 59.430 58.200 -0.156 0.000 0.965 79 S CB -0.325 62.810 63.200 -0.109 0.000 0.785 79 S HN 0.626 nan 8.310 nan 0.000 0.495 80 K N 1.403 121.551 120.400 -0.420 0.000 2.148 80 K HA 0.118 4.438 4.320 -0.000 0.000 0.204 80 K C 2.480 178.732 176.600 -0.580 0.000 1.050 80 K CA 1.014 56.948 56.287 -0.588 0.000 0.942 80 K CB -0.483 31.439 32.500 -0.963 0.000 0.724 80 K HN 0.513 nan 8.250 nan 0.000 0.446 81 A N 1.807 124.296 122.820 -0.552 0.000 1.858 81 A HA -0.232 4.088 4.320 -0.000 0.000 0.216 81 A C 1.902 179.467 177.584 -0.033 0.000 1.190 81 A CA 1.943 53.933 52.037 -0.078 0.000 0.617 81 A CB -0.720 18.312 19.000 0.054 0.000 0.827 81 A HN 0.261 nan 8.150 nan 0.000 0.443 82 N N 0.069 118.724 118.700 -0.075 0.000 2.104 82 N HA -0.143 4.597 4.740 -0.000 0.000 0.190 82 N C 1.283 176.752 175.510 -0.068 0.000 1.024 82 N CA 1.623 54.640 53.050 -0.056 0.000 0.853 82 N CB -0.192 38.259 38.487 -0.060 0.000 1.008 82 N HN 0.430 nan 8.380 nan 0.000 0.424 83 D N -0.198 120.148 120.400 -0.089 0.000 2.097 83 D HA -0.105 4.535 4.640 -0.000 0.000 0.195 83 D C 1.779 178.047 176.300 -0.052 0.000 0.989 83 D CA 1.253 55.204 54.000 -0.082 0.000 0.827 83 D CB -0.402 40.345 40.800 -0.088 0.000 0.966 83 D HN 0.337 nan 8.370 nan 0.000 0.456 84 A N 0.767 123.582 122.820 -0.008 0.000 1.841 84 A HA 0.088 4.408 4.320 -0.000 0.000 0.214 84 A C 2.118 179.721 177.584 0.031 0.000 1.195 84 A CA 2.143 54.210 52.037 0.049 0.000 0.611 84 A CB -0.450 18.652 19.000 0.171 0.000 0.835 84 A HN 0.238 nan 8.150 nan 0.000 0.443 85 A N -2.560 120.282 122.820 0.037 0.000 2.348 85 A HA 0.455 4.775 4.320 -0.000 0.000 0.224 85 A C 1.654 179.240 177.584 0.002 0.000 1.227 85 A CA 1.096 53.149 52.037 0.027 0.000 0.885 85 A CB -0.507 18.522 19.000 0.048 0.000 0.933 85 A HN 1.947 nan 8.150 nan 0.000 0.506 86 G N -1.042 107.738 108.800 -0.034 0.000 2.143 86 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.249 86 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.249 86 G C -0.166 174.722 174.900 -0.020 0.000 0.981 86 G CA 0.565 45.627 45.100 -0.063 0.000 0.665 86 G HN 0.837 nan 8.290 nan 0.000 0.528 87 D N -3.414 116.983 120.400 -0.006 0.000 2.807 87 D HA 0.569 5.209 4.640 -0.000 0.000 0.279 87 D C 0.858 177.166 176.300 0.014 0.000 1.247 87 D CA 1.540 55.543 54.000 0.005 0.000 0.749 87 D CB 0.184 40.994 40.800 0.017 0.000 1.264 87 D HN 1.356 nan 8.370 nan 0.000 0.421 88 G N -0.552 108.257 108.800 0.015 0.000 2.284 88 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.201 88 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.201 88 G C 1.173 176.084 174.900 0.019 0.000 0.998 88 G CA 0.806 45.922 45.100 0.028 0.000 0.651 88 G HN 0.571 nan 8.290 nan 0.000 0.489 89 T N 1.410 115.962 114.554 -0.004 0.000 2.635 89 T HA -0.138 4.212 4.350 -0.000 0.000 0.267 89 T C 2.498 177.196 174.700 -0.004 0.000 1.040 89 T CA 2.589 64.678 62.100 -0.017 0.000 1.156 89 T CB -0.572 68.276 68.868 -0.033 0.000 0.863 89 T HN 0.438 nan 8.240 nan 0.000 0.430 90 T N 1.780 116.334 114.554 -0.001 0.000 2.746 90 T HA -0.101 4.249 4.350 -0.000 0.000 0.267 90 T C 2.282 176.988 174.700 0.009 0.000 1.039 90 T CA 1.680 63.782 62.100 0.002 0.000 1.142 90 T CB -0.659 68.210 68.868 0.002 0.000 0.866 90 T HN 0.474 nan 8.240 nan 0.000 0.444 91 T N 2.078 116.641 114.554 0.015 0.000 2.821 91 T HA 0.016 4.366 4.350 -0.000 0.000 0.267 91 T C 2.434 177.150 174.700 0.027 0.000 1.046 91 T CA 1.014 63.126 62.100 0.020 0.000 1.139 91 T CB -0.542 68.340 68.868 0.024 0.000 0.871 91 T HN 0.419 nan 8.240 nan 0.000 0.454 92 A N 1.639 124.479 122.820 0.034 0.000 1.908 92 A HA -0.139 4.181 4.320 -0.000 0.000 0.218 92 A C 2.563 180.167 177.584 0.033 0.000 1.181 92 A CA 2.059 54.124 52.037 0.048 0.000 0.627 92 A CB -1.293 17.741 19.000 0.057 0.000 0.818 92 A HN 0.479 nan 8.150 nan 0.000 0.445 93 T N -0.438 114.127 114.554 0.019 0.000 2.777 93 T HA -0.089 4.261 4.350 -0.000 0.000 0.266 93 T C 1.899 176.608 174.700 0.015 0.000 1.040 93 T CA 1.489 63.597 62.100 0.013 0.000 1.141 93 T CB -0.416 68.455 68.868 0.005 0.000 0.868 93 T HN 0.163 nan 8.240 nan 0.000 0.444 94 V N 1.638 121.560 119.914 0.014 0.000 2.295 94 V HA -0.134 3.986 4.120 -0.000 0.000 0.246 94 V C 2.497 178.600 176.094 0.015 0.000 1.049 94 V CA 1.518 63.825 62.300 0.012 0.000 1.024 94 V CB -0.742 31.087 31.823 0.011 0.000 0.648 94 V HN 0.412 nan 8.190 nan 0.000 0.447 95 L N 0.024 121.259 121.223 0.020 0.000 1.994 95 L HA -0.162 4.178 4.340 -0.000 0.000 0.208 95 L C 2.805 179.689 176.870 0.023 0.000 1.071 95 L CA 1.655 56.508 54.840 0.022 0.000 0.745 95 L CB -0.920 41.156 42.059 0.028 0.000 0.892 95 L HN 0.352 nan 8.230 nan 0.000 0.431 96 A N -0.301 122.535 122.820 0.027 0.000 1.892 96 A HA -0.347 3.973 4.320 -0.000 0.000 0.218 96 A C 2.275 179.871 177.584 0.020 0.000 1.188 96 A CA 2.292 54.345 52.037 0.027 0.000 0.631 96 A CB -0.819 18.199 19.000 0.030 0.000 0.822 96 A HN 0.547 nan 8.150 nan 0.000 0.447 97 Q N -0.651 119.159 119.800 0.017 0.000 2.096 97 Q HA -0.158 4.182 4.340 -0.000 0.000 0.204 97 Q C 2.158 178.165 176.000 0.012 0.000 0.982 97 Q CA 1.843 57.654 55.803 0.014 0.000 0.850 97 Q CB -0.364 28.380 28.738 0.011 0.000 0.901 97 Q HN 0.620 nan 8.270 nan 0.000 0.422 98 A N 0.794 123.622 122.820 0.012 0.000 1.873 98 A HA -0.144 4.176 4.320 -0.000 0.000 0.215 98 A C 2.001 179.592 177.584 0.011 0.000 1.186 98 A CA 1.408 53.451 52.037 0.011 0.000 0.616 98 A CB -0.638 18.368 19.000 0.010 0.000 0.823 98 A HN 0.483 nan 8.150 nan 0.000 0.442 99 I N -0.375 120.203 120.570 0.014 0.000 2.252 99 I HA -0.235 3.935 4.170 -0.000 0.000 0.245 99 I C 2.280 178.404 176.117 0.013 0.000 1.102 99 I CA 1.230 62.538 61.300 0.013 0.000 1.385 99 I CB -0.356 37.654 38.000 0.016 0.000 1.064 99 I HN 0.291 nan 8.210 nan 0.000 0.414 100 I N 0.342 120.921 120.570 0.015 0.000 2.252 100 I HA -0.254 3.916 4.170 -0.000 0.000 0.245 100 I C 2.572 178.696 176.117 0.011 0.000 1.102 100 I CA 1.461 62.769 61.300 0.014 0.000 1.385 100 I CB -0.597 37.412 38.000 0.016 0.000 1.064 100 I HN 0.222 nan 8.210 nan 0.000 0.414 101 T N 0.279 114.839 114.554 0.010 0.000 2.652 101 T HA -0.165 4.184 4.350 -0.000 0.000 0.267 101 T C 1.803 176.508 174.700 0.007 0.000 1.039 101 T CA 1.347 63.452 62.100 0.008 0.000 1.153 101 T CB -0.163 68.709 68.868 0.007 0.000 0.863 101 T HN 0.296 nan 8.240 nan 0.000 0.428 102 E N 0.499 120.704 120.200 0.007 0.000 2.158 102 E HA 0.055 4.404 4.350 -0.000 0.000 0.191 102 E C 2.512 179.117 176.600 0.007 0.000 0.982 102 E CA 0.719 57.122 56.400 0.006 0.000 0.823 102 E CB -0.688 29.016 29.700 0.006 0.000 0.766 102 E HN 0.554 nan 8.360 nan 0.000 0.468 103 G N 1.793 110.598 108.800 0.008 0.000 2.433 103 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.216 103 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.216 103 G C 1.713 176.618 174.900 0.008 0.000 1.186 103 G CA 0.553 45.658 45.100 0.009 0.000 0.779 103 G HN 0.178 nan 8.290 nan 0.000 0.543 104 L N 0.060 121.288 121.223 0.008 0.000 2.131 104 L HA -0.081 4.259 4.340 -0.000 0.000 0.210 104 L C 2.933 179.806 176.870 0.005 0.000 1.092 104 L CA 1.182 56.026 54.840 0.007 0.000 0.759 104 L CB -0.333 41.730 42.059 0.006 0.000 0.903 104 L HN 0.225 nan 8.230 nan 0.000 0.435 105 K N 0.266 120.669 120.400 0.005 0.000 2.057 105 K HA -0.134 4.186 4.320 -0.000 0.000 0.207 105 K C 2.300 178.902 176.600 0.004 0.000 1.049 105 K CA 1.392 57.682 56.287 0.004 0.000 0.931 105 K CB -0.261 32.241 32.500 0.004 0.000 0.714 105 K HN 0.282 nan 8.250 nan 0.000 0.440 106 A N 1.067 123.890 122.820 0.004 0.000 1.898 106 A HA -0.108 4.212 4.320 -0.000 0.000 0.216 106 A C 2.393 179.980 177.584 0.005 0.000 1.181 106 A CA 1.270 53.310 52.037 0.004 0.000 0.620 106 A CB -0.661 18.342 19.000 0.005 0.000 0.819 106 A HN 0.061 nan 8.150 nan 0.000 0.442 107 V N -0.061 119.856 119.914 0.006 0.000 2.287 107 V HA -0.281 3.838 4.120 -0.000 0.000 0.248 107 V C 3.025 179.122 176.094 0.005 0.000 1.053 107 V CA 2.065 64.369 62.300 0.006 0.000 1.027 107 V CB -1.145 30.683 31.823 0.008 0.000 0.646 107 V HN 0.609 nan 8.190 nan 0.000 0.447 108 A N -0.384 122.439 122.820 0.004 0.000 2.067 108 A HA 0.041 4.361 4.320 -0.000 0.000 0.219 108 A C 2.177 179.762 177.584 0.002 0.000 1.158 108 A CA 1.548 53.586 52.037 0.003 0.000 0.661 108 A CB -0.498 18.503 19.000 0.001 0.000 0.801 108 A HN 0.598 nan 8.150 nan 0.000 0.452 109 A N -1.822 120.999 122.820 0.002 0.000 2.238 109 A HA 0.417 4.737 4.320 -0.000 0.000 0.208 109 A C 1.689 179.274 177.584 0.002 0.000 1.177 109 A CA 1.165 53.203 52.037 0.002 0.000 0.804 109 A CB -0.771 18.230 19.000 0.002 0.000 0.823 109 A HN 1.783 nan 8.150 nan 0.000 0.482 110 G N -1.802 106.999 108.800 0.002 0.000 2.159 110 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.227 110 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.227 110 G C 0.156 175.057 174.900 0.003 0.000 0.986 110 G CA 0.167 45.269 45.100 0.002 0.000 0.651 110 G HN 0.363 nan 8.290 nan 0.000 0.523 111 M N 0.773 120.375 119.600 0.004 0.000 2.241 111 M HA 0.251 4.730 4.480 -0.000 0.000 0.335 111 M C 0.720 177.023 176.300 0.005 0.000 1.122 111 M CA -0.536 54.767 55.300 0.004 0.000 1.164 111 M CB 0.481 33.084 32.600 0.004 0.000 1.459 111 M HN 0.165 nan 8.290 nan 0.000 0.461 112 N N 2.840 121.543 118.700 0.005 0.000 2.431 112 N HA 0.083 4.823 4.740 -0.000 0.000 0.265 112 N C -2.135 173.380 175.510 0.008 0.000 1.184 112 N CA -1.291 51.763 53.050 0.006 0.000 0.943 112 N CB 1.061 39.551 38.487 0.005 0.000 1.080 112 N HN 0.280 nan 8.380 nan 0.000 0.477 113 P HA -0.158 nan 4.420 nan 0.000 0.216 113 P C 1.602 178.908 177.300 0.010 0.000 1.153 113 P CA 1.509 64.615 63.100 0.011 0.000 0.858 113 P CB 0.218 31.926 31.700 0.014 0.000 0.789 114 M N -1.254 118.352 119.600 0.010 0.000 2.175 114 M HA -0.112 4.368 4.480 -0.000 0.000 0.264 114 M C 1.501 177.805 176.300 0.007 0.000 1.063 114 M CA 1.589 56.895 55.300 0.009 0.000 1.119 114 M CB -1.711 30.894 32.600 0.009 0.000 1.377 114 M HN -0.029 nan 8.290 nan 0.000 0.415 115 D N 0.410 120.814 120.400 0.007 0.000 2.084 115 D HA -0.074 4.566 4.640 -0.000 0.000 0.196 115 D C 2.157 178.460 176.300 0.005 0.000 0.985 115 D CA 0.875 54.878 54.000 0.005 0.000 0.826 115 D CB -0.149 40.654 40.800 0.005 0.000 0.978 115 D HN 0.120 nan 8.370 nan 0.000 0.456 116 L N 1.411 122.638 121.223 0.006 0.000 2.051 116 L HA -0.189 4.151 4.340 -0.000 0.000 0.214 116 L C 2.235 179.109 176.870 0.007 0.000 1.076 116 L CA 1.596 56.440 54.840 0.006 0.000 0.758 116 L CB -0.765 41.298 42.059 0.007 0.000 0.890 116 L HN 0.040 nan 8.230 nan 0.000 0.433 117 K N -0.720 119.684 120.400 0.007 0.000 2.103 117 K HA -0.187 4.133 4.320 -0.000 0.000 0.204 117 K C 2.348 178.951 176.600 0.005 0.000 1.052 117 K CA 1.033 57.324 56.287 0.007 0.000 0.945 117 K CB 0.012 32.517 32.500 0.009 0.000 0.722 117 K HN 0.133 nan 8.250 nan 0.000 0.443 118 R N -0.062 120.441 120.500 0.004 0.000 2.081 118 R HA -0.097 4.243 4.340 -0.000 0.000 0.235 118 R C 2.278 178.579 176.300 0.002 0.000 1.131 118 R CA 1.713 57.815 56.100 0.003 0.000 0.960 118 R CB -0.520 29.782 30.300 0.003 0.000 0.856 118 R HN 0.379 nan 8.270 nan 0.000 0.436 119 G N 0.849 109.651 108.800 0.003 0.000 2.421 119 G HA2 -0.247 3.712 3.960 -0.000 0.000 0.216 119 G HA3 -0.247 3.712 3.960 -0.000 0.000 0.216 119 G C 1.448 176.350 174.900 0.003 0.000 1.171 119 G CA 0.914 46.016 45.100 0.003 0.000 0.775 119 G HN 0.264 nan 8.290 nan 0.000 0.543 120 I N 1.039 121.611 120.570 0.003 0.000 2.163 120 I HA -0.165 4.005 4.170 -0.000 0.000 0.243 120 I C 2.299 178.416 176.117 0.000 0.000 1.085 120 I CA 1.319 62.621 61.300 0.003 0.000 1.347 120 I CB -0.178 37.826 38.000 0.006 0.000 1.044 120 I HN 0.060 nan 8.210 nan 0.000 0.408 121 D N 0.627 121.026 120.400 -0.001 0.000 2.144 121 D HA -0.202 4.438 4.640 -0.000 0.000 0.199 121 D C 2.057 178.354 176.300 -0.006 0.000 0.984 121 D CA 1.122 55.119 54.000 -0.005 0.000 0.834 121 D CB -0.191 40.606 40.800 -0.005 0.000 0.955 121 D HN 0.287 nan 8.370 nan 0.000 0.465 122 K N 0.666 121.064 120.400 -0.003 0.000 2.002 122 K HA -0.091 4.228 4.320 -0.000 0.000 0.209 122 K C 2.076 178.674 176.600 -0.003 0.000 1.048 122 K CA 1.291 57.576 56.287 -0.003 0.000 0.930 122 K CB -0.109 32.391 32.500 -0.001 0.000 0.714 122 K HN 0.009 nan 8.250 nan 0.000 0.438 123 A N 0.707 123.527 122.820 -0.001 0.000 1.948 123 A HA -0.154 4.166 4.320 -0.000 0.000 0.220 123 A C 2.226 179.809 177.584 -0.002 0.000 1.177 123 A CA 1.925 53.962 52.037 0.000 0.000 0.636 123 A CB -0.719 18.282 19.000 0.002 0.000 0.815 123 A HN 0.220 nan 8.150 nan 0.000 0.449 124 V N -0.609 119.302 119.914 -0.005 0.000 2.427 124 V HA -0.186 3.934 4.120 -0.000 0.000 0.248 124 V C 2.694 178.780 176.094 -0.013 0.000 1.051 124 V CA 2.308 64.602 62.300 -0.010 0.000 1.048 124 V CB -1.138 30.676 31.823 -0.015 0.000 0.666 124 V HN 0.617 nan 8.190 nan 0.000 0.456 125 T N 0.283 114.829 114.554 -0.013 0.000 2.674 125 T HA -0.167 4.183 4.350 -0.000 0.000 0.265 125 T C 1.973 176.668 174.700 -0.009 0.000 1.039 125 T CA 1.813 63.905 62.100 -0.013 0.000 1.150 125 T CB -0.244 68.617 68.868 -0.011 0.000 0.864 125 T HN 0.293 nan 8.240 nan 0.000 0.427 126 V N 1.892 121.803 119.914 -0.005 0.000 2.295 126 V HA -0.165 3.955 4.120 -0.000 0.000 0.246 126 V C 2.930 179.024 176.094 -0.000 0.000 1.049 126 V CA 1.685 63.984 62.300 -0.001 0.000 1.024 126 V CB -1.343 30.480 31.823 0.001 0.000 0.648 126 V HN 0.531 nan 8.190 nan 0.000 0.447 127 A N -0.104 122.716 122.820 -0.000 0.000 1.908 127 A HA -0.181 4.138 4.320 -0.000 0.000 0.218 127 A C 2.384 179.968 177.584 0.000 0.000 1.181 127 A CA 2.195 54.233 52.037 0.002 0.000 0.627 127 A CB -0.750 18.251 19.000 0.003 0.000 0.818 127 A HN 0.359 nan 8.150 nan 0.000 0.445 128 V N 0.021 119.932 119.914 -0.005 0.000 2.515 128 V HA -0.257 3.862 4.120 -0.000 0.000 0.250 128 V C 2.348 178.440 176.094 -0.004 0.000 1.058 128 V CA 2.208 64.504 62.300 -0.008 0.000 1.064 128 V CB -0.834 30.979 31.823 -0.018 0.000 0.675 128 V HN 0.652 nan 8.190 nan 0.000 0.461 129 E N -0.333 119.865 120.200 -0.003 0.000 2.072 129 E HA -0.195 4.155 4.350 -0.000 0.000 0.191 129 E C 2.329 178.931 176.600 0.004 0.000 0.985 129 E CA 1.148 57.548 56.400 0.000 0.000 0.801 129 E CB -0.129 29.571 29.700 0.000 0.000 0.750 129 E HN 0.563 nan 8.360 nan 0.000 0.452 130 E N 0.793 120.997 120.200 0.005 0.000 2.077 130 E HA -0.171 4.179 4.350 -0.000 0.000 0.193 130 E C 2.291 178.898 176.600 0.011 0.000 0.989 130 E CA 0.758 57.163 56.400 0.009 0.000 0.800 130 E CB -0.179 29.527 29.700 0.011 0.000 0.746 130 E HN 0.319 nan 8.360 nan 0.000 0.452 131 L N 0.593 121.822 121.223 0.009 0.000 2.046 131 L HA -0.183 4.157 4.340 -0.000 0.000 0.208 131 L C 2.645 179.522 176.870 0.011 0.000 1.077 131 L CA 1.175 56.021 54.840 0.011 0.000 0.747 131 L CB -0.311 41.753 42.059 0.009 0.000 0.896 131 L HN 0.061 nan 8.230 nan 0.000 0.432 132 K N -0.093 120.311 120.400 0.008 0.000 2.097 132 K HA -0.176 4.144 4.320 -0.000 0.000 0.206 132 K C 2.104 178.710 176.600 0.009 0.000 1.049 132 K CA 1.348 57.639 56.287 0.007 0.000 0.933 132 K CB -0.075 32.427 32.500 0.004 0.000 0.717 132 K HN 0.308 nan 8.250 nan 0.000 0.442 133 A N 0.462 123.288 122.820 0.010 0.000 1.929 133 A HA -0.090 4.230 4.320 -0.000 0.000 0.216 133 A C 1.951 179.543 177.584 0.014 0.000 1.176 133 A CA 0.934 52.978 52.037 0.011 0.000 0.628 133 A CB -0.374 18.633 19.000 0.011 0.000 0.816 133 A HN 0.319 nan 8.150 nan 0.000 0.444 134 L N -0.222 121.011 121.223 0.016 0.000 2.291 134 L HA 0.079 4.419 4.340 -0.000 0.000 0.214 134 L C 1.459 178.340 176.870 0.019 0.000 1.120 134 L CA 0.809 55.661 54.840 0.020 0.000 0.799 134 L CB -0.276 41.797 42.059 0.023 0.000 0.925 134 L HN 0.304 nan 8.230 nan 0.000 0.446 135 S N -1.168 114.542 115.700 0.016 0.000 2.566 135 S HA 0.210 4.680 4.470 -0.000 0.000 0.280 135 S C -0.227 174.382 174.600 0.015 0.000 1.343 135 S CA -0.517 57.692 58.200 0.015 0.000 1.036 135 S CB 0.538 63.746 63.200 0.013 0.000 0.866 135 S HN 0.023 nan 8.310 nan 0.000 0.526 136 V N 6.926 126.849 119.914 0.015 0.000 2.444 136 V HA 0.456 4.576 4.120 -0.000 0.000 0.294 136 V C -1.922 174.179 176.094 0.012 0.000 1.022 136 V CA -1.699 60.609 62.300 0.014 0.000 0.850 136 V CB 1.693 33.525 31.823 0.015 0.000 0.992 136 V HN 0.839 nan 8.190 nan 0.000 0.426 137 P HA 0.087 nan 4.420 nan 0.000 0.270 137 P C -0.526 176.779 177.300 0.009 0.000 1.223 137 P CA -0.127 62.979 63.100 0.010 0.000 0.785 137 P CB 0.993 32.698 31.700 0.009 0.000 0.923 138 C N 2.585 121.890 119.300 0.009 0.000 3.164 138 C HA 0.442 4.902 4.460 -0.000 0.000 0.250 138 C C 1.271 176.265 174.990 0.007 0.000 1.151 138 C CA 0.306 59.329 59.018 0.008 0.000 1.449 138 C CB -1.201 26.544 27.740 0.009 0.000 1.825 138 C HN 0.660 nan 8.230 nan 0.000 0.478 139 S N 1.817 117.521 115.700 0.006 0.000 2.891 139 S HA 0.177 4.647 4.470 -0.000 0.000 0.247 139 S C 0.283 174.885 174.600 0.004 0.000 1.063 139 S CA 0.279 58.482 58.200 0.005 0.000 0.857 139 S CB -0.529 62.674 63.200 0.006 0.000 0.800 139 S HN 0.859 nan 8.310 nan 0.000 0.540 140 D N 2.247 122.649 120.400 0.004 0.000 2.423 140 D HA 0.132 4.772 4.640 -0.000 0.000 0.238 140 D C 0.394 176.695 176.300 0.002 0.000 1.142 140 D CA 0.120 54.121 54.000 0.003 0.000 0.884 140 D CB 0.919 41.721 40.800 0.003 0.000 1.199 140 D HN 0.173 nan 8.370 nan 0.000 0.438 141 S N 1.364 117.064 115.700 0.001 0.000 2.440 141 S HA -0.179 4.291 4.470 -0.000 0.000 0.240 141 S C 1.510 176.110 174.600 -0.001 0.000 1.014 141 S CA 1.135 59.334 58.200 -0.001 0.000 0.980 141 S CB -0.088 63.111 63.200 -0.002 0.000 0.775 141 S HN 0.438 nan 8.310 nan 0.000 0.499 142 K N 2.033 122.433 120.400 -0.000 0.000 2.025 142 K HA 0.176 4.495 4.320 -0.000 0.000 0.207 142 K C 2.246 178.846 176.600 0.000 0.000 1.049 142 K CA 1.209 57.496 56.287 -0.000 0.000 0.933 142 K CB -0.847 31.653 32.500 0.001 0.000 0.714 142 K HN 0.292 nan 8.250 nan 0.000 0.438 143 A N 0.998 123.819 122.820 0.002 0.000 1.858 143 A HA -0.127 4.193 4.320 -0.000 0.000 0.216 143 A C 2.240 179.825 177.584 0.002 0.000 1.190 143 A CA 1.475 53.513 52.037 0.003 0.000 0.617 143 A CB -0.781 18.222 19.000 0.004 0.000 0.827 143 A HN 0.208 nan 8.150 nan 0.000 0.443 144 I N -0.165 120.405 120.570 0.001 0.000 2.194 144 I HA -0.361 3.808 4.170 -0.000 0.000 0.246 144 I C 2.954 179.069 176.117 -0.003 0.000 1.093 144 I CA 1.332 62.632 61.300 -0.000 0.000 1.355 144 I CB -0.391 37.608 38.000 -0.001 0.000 1.046 144 I HN 0.398 nan 8.210 nan 0.000 0.413 145 A N 0.026 122.844 122.820 -0.003 0.000 1.898 145 A HA -0.223 4.097 4.320 -0.000 0.000 0.216 145 A C 2.245 179.826 177.584 -0.005 0.000 1.181 145 A CA 1.321 53.355 52.037 -0.005 0.000 0.620 145 A CB -0.551 18.446 19.000 -0.005 0.000 0.819 145 A HN 0.466 nan 8.150 nan 0.000 0.442 146 Q N -0.382 119.417 119.800 -0.002 0.000 2.096 146 Q HA -0.138 4.202 4.340 -0.000 0.000 0.204 146 Q C 2.157 178.156 176.000 -0.002 0.000 0.982 146 Q CA 1.784 57.586 55.803 -0.002 0.000 0.850 146 Q CB -0.404 28.334 28.738 0.000 0.000 0.901 146 Q HN 0.505 nan 8.270 nan 0.000 0.422 147 V N 0.476 120.390 119.914 -0.000 0.000 2.295 147 V HA -0.201 3.919 4.120 -0.000 0.000 0.246 147 V C 2.266 178.359 176.094 -0.002 0.000 1.049 147 V CA 1.950 64.251 62.300 0.001 0.000 1.024 147 V CB -1.275 30.550 31.823 0.004 0.000 0.648 147 V HN 0.533 nan 8.190 nan 0.000 0.447 148 G N 0.407 109.204 108.800 -0.005 0.000 2.446 148 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.217 148 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.217 148 G C 1.840 176.734 174.900 -0.011 0.000 1.168 148 G CA 1.971 47.064 45.100 -0.011 0.000 0.771 148 G HN 0.571 nan 8.290 nan 0.000 0.551 149 T N -0.448 114.100 114.554 -0.009 0.000 2.777 149 T HA 0.024 4.374 4.350 -0.000 0.000 0.266 149 T C 2.410 177.105 174.700 -0.008 0.000 1.040 149 T CA 1.073 63.167 62.100 -0.010 0.000 1.141 149 T CB -0.294 68.569 68.868 -0.008 0.000 0.868 149 T HN 0.247 nan 8.240 nan 0.000 0.444 150 I N 1.654 122.220 120.570 -0.006 0.000 2.163 150 I HA -0.194 3.976 4.170 -0.000 0.000 0.243 150 I C 2.908 179.022 176.117 -0.005 0.000 1.085 150 I CA 1.600 62.896 61.300 -0.006 0.000 1.347 150 I CB -0.507 37.491 38.000 -0.003 0.000 1.044 150 I HN 0.329 nan 8.210 nan 0.000 0.408 151 S N 0.691 116.389 115.700 -0.004 0.000 2.402 151 S HA -0.032 4.437 4.470 -0.000 0.000 0.229 151 S C 1.722 176.319 174.600 -0.006 0.000 1.021 151 S CA 1.071 59.270 58.200 -0.002 0.000 0.974 151 S CB -0.212 62.988 63.200 0.000 0.000 0.800 151 S HN 0.517 nan 8.310 nan 0.000 0.484 152 A N 1.573 124.388 122.820 -0.010 0.000 2.503 152 A HA 0.284 4.604 4.320 -0.000 0.000 0.263 152 A C 0.649 178.226 177.584 -0.010 0.000 1.360 152 A CA -0.322 51.708 52.037 -0.012 0.000 0.969 152 A CB -0.688 18.303 19.000 -0.016 0.000 1.000 152 A HN 0.376 nan 8.150 nan 0.000 0.530 153 N N 0.134 118.829 118.700 -0.009 0.000 2.738 153 N HA -0.194 4.546 4.740 -0.000 0.000 0.249 153 N C 0.066 175.569 175.510 -0.010 0.000 1.047 153 N CA 1.126 54.170 53.050 -0.010 0.000 0.707 153 N CB -1.583 36.898 38.487 -0.009 0.000 0.937 153 N HN 0.595 nan 8.380 nan 0.000 0.545 154 S N -1.196 114.498 115.700 -0.010 0.000 3.672 154 S HA -0.211 4.259 4.470 -0.000 0.000 0.319 154 S C -0.364 174.230 174.600 -0.010 0.000 1.151 154 S CA 0.879 59.073 58.200 -0.010 0.000 0.911 154 S CB -0.823 62.371 63.200 -0.011 0.000 0.939 154 S HN 0.679 nan 8.310 nan 0.000 0.524 155 D N 1.408 121.802 120.400 -0.010 0.000 2.411 155 D HA 0.348 4.988 4.640 -0.000 0.000 0.225 155 D C 1.170 177.464 176.300 -0.010 0.000 1.156 155 D CA -0.356 53.638 54.000 -0.010 0.000 0.874 155 D CB 0.887 41.680 40.800 -0.012 0.000 1.034 155 D HN 0.549 nan 8.370 nan 0.000 0.502 156 E N 1.603 121.797 120.200 -0.009 0.000 2.171 156 E HA -0.221 4.129 4.350 -0.000 0.000 0.197 156 E C 1.173 177.767 176.600 -0.010 0.000 0.997 156 E CA 1.714 58.109 56.400 -0.009 0.000 0.810 156 E CB -0.358 29.338 29.700 -0.007 0.000 0.738 156 E HN 0.333 nan 8.360 nan 0.000 0.467 157 T N 0.209 114.757 114.554 -0.010 0.000 2.777 157 T HA -0.088 4.262 4.350 -0.000 0.000 0.266 157 T C 1.966 176.657 174.700 -0.014 0.000 1.040 157 T CA 1.327 63.420 62.100 -0.012 0.000 1.141 157 T CB -0.385 68.476 68.868 -0.011 0.000 0.868 157 T HN 0.069 nan 8.240 nan 0.000 0.444 158 V N 1.590 121.494 119.914 -0.016 0.000 2.358 158 V HA -0.077 4.043 4.120 -0.000 0.000 0.246 158 V C 2.910 178.992 176.094 -0.020 0.000 1.047 158 V CA 1.925 64.213 62.300 -0.020 0.000 1.035 158 V CB -1.409 30.401 31.823 -0.022 0.000 0.658 158 V HN 0.600 nan 8.190 nan 0.000 0.452 159 G N -0.291 108.500 108.800 -0.016 0.000 2.440 159 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.218 159 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.218 159 G C 1.671 176.563 174.900 -0.013 0.000 1.154 159 G CA 1.039 46.131 45.100 -0.014 0.000 0.767 159 G HN 0.462 nan 8.290 nan 0.000 0.552 160 K N -0.212 120.180 120.400 -0.012 0.000 2.032 160 K HA 0.031 4.351 4.320 -0.000 0.000 0.209 160 K C 2.540 179.132 176.600 -0.013 0.000 1.048 160 K CA 0.936 57.216 56.287 -0.011 0.000 0.927 160 K CB -0.352 32.141 32.500 -0.010 0.000 0.712 160 K HN 0.249 nan 8.250 nan 0.000 0.441 161 L N 0.880 122.094 121.223 -0.016 0.000 1.971 161 L HA -0.274 4.066 4.340 -0.000 0.000 0.215 161 L C 2.315 179.172 176.870 -0.021 0.000 1.072 161 L CA 1.022 55.851 54.840 -0.019 0.000 0.758 161 L CB -0.569 41.476 42.059 -0.023 0.000 0.889 161 L HN 0.212 nan 8.230 nan 0.000 0.433 162 I N 0.239 120.794 120.570 -0.025 0.000 2.091 162 I HA -0.317 3.853 4.170 -0.000 0.000 0.239 162 I C 2.884 178.991 176.117 -0.018 0.000 1.061 162 I CA 1.896 63.181 61.300 -0.026 0.000 1.317 162 I CB -1.810 36.173 38.000 -0.028 0.000 1.031 162 I HN 0.234 nan 8.210 nan 0.000 0.401 163 A N 0.389 123.201 122.820 -0.014 0.000 1.917 163 A HA -0.237 4.082 4.320 -0.000 0.000 0.219 163 A C 2.278 179.857 177.584 -0.009 0.000 1.182 163 A CA 1.930 53.961 52.037 -0.009 0.000 0.633 163 A CB -0.724 18.272 19.000 -0.008 0.000 0.819 163 A HN 0.552 nan 8.150 nan 0.000 0.448 164 E N -0.442 119.752 120.200 -0.010 0.000 2.047 164 E HA -0.081 4.268 4.350 -0.000 0.000 0.191 164 E C 2.397 178.991 176.600 -0.010 0.000 0.987 164 E CA 0.918 57.312 56.400 -0.010 0.000 0.799 164 E CB -0.304 29.389 29.700 -0.010 0.000 0.752 164 E HN 0.621 nan 8.360 nan 0.000 0.449 165 A N 1.135 123.947 122.820 -0.013 0.000 1.877 165 A HA -0.209 4.111 4.320 -0.000 0.000 0.216 165 A C 2.164 179.742 177.584 -0.010 0.000 1.186 165 A CA 1.459 53.488 52.037 -0.013 0.000 0.620 165 A CB -0.498 18.490 19.000 -0.019 0.000 0.822 165 A HN 0.167 nan 8.150 nan 0.000 0.443 166 M N -0.862 118.732 119.600 -0.010 0.000 2.159 166 M HA -0.188 4.292 4.480 -0.000 0.000 0.263 166 M C 1.887 178.185 176.300 -0.004 0.000 1.063 166 M CA 2.183 57.479 55.300 -0.006 0.000 1.110 166 M CB -0.276 32.321 32.600 -0.005 0.000 1.374 166 M HN 0.645 nan 8.290 nan 0.000 0.411 167 D N -0.123 120.274 120.400 -0.005 0.000 2.144 167 D HA -0.186 4.454 4.640 -0.000 0.000 0.200 167 D C 1.852 178.150 176.300 -0.004 0.000 0.978 167 D CA 1.191 55.189 54.000 -0.004 0.000 0.833 167 D CB 0.066 40.864 40.800 -0.004 0.000 0.961 167 D HN 0.141 nan 8.370 nan 0.000 0.470 168 K N -0.868 119.530 120.400 -0.005 0.000 2.486 168 K HA 0.076 4.396 4.320 -0.000 0.000 0.194 168 K C 0.705 177.303 176.600 -0.004 0.000 1.033 168 K CA 0.295 56.579 56.287 -0.004 0.000 1.004 168 K CB 0.462 32.959 32.500 -0.006 0.000 0.798 168 K HN 0.096 nan 8.250 nan 0.000 0.495 169 V N -0.710 119.202 119.914 -0.003 0.000 3.432 169 V HA 0.257 4.377 4.120 -0.000 0.000 0.290 169 V C -0.510 175.583 176.094 -0.000 0.000 1.591 169 V CA 0.446 62.745 62.300 -0.002 0.000 1.069 169 V CB 0.863 32.684 31.823 -0.003 0.000 0.892 169 V HN 0.436 nan 8.190 nan 0.000 0.436 170 G N 1.021 109.821 108.800 -0.000 0.000 2.719 170 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.686 170 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.686 170 G C 0.059 174.960 174.900 0.002 0.000 1.201 170 G CA 0.069 45.170 45.100 0.001 0.000 0.768 170 G HN 0.256 nan 8.290 nan 0.000 0.629 171 K N 0.045 120.448 120.400 0.004 0.000 2.283 171 K HA -0.036 4.284 4.320 -0.000 0.000 0.202 171 K C 1.238 177.843 176.600 0.008 0.000 1.048 171 K CA 1.434 57.724 56.287 0.005 0.000 0.948 171 K CB 0.093 32.597 32.500 0.006 0.000 0.742 171 K HN 0.501 nan 8.250 nan 0.000 0.458 172 E N 0.309 120.515 120.200 0.009 0.000 2.558 172 E HA 0.102 4.452 4.350 -0.000 0.000 0.205 172 E C 0.457 177.064 176.600 0.011 0.000 1.006 172 E CA -0.073 56.334 56.400 0.012 0.000 0.961 172 E CB 0.904 30.611 29.700 0.011 0.000 1.044 172 E HN 0.203 nan 8.360 nan 0.000 0.465 173 G N 0.682 109.487 108.800 0.008 0.000 2.562 173 G HA2 0.266 4.226 3.960 -0.000 0.000 0.275 173 G HA3 0.266 4.226 3.960 -0.000 0.000 0.275 173 G C -0.318 174.586 174.900 0.007 0.000 1.196 173 G CA -0.456 44.648 45.100 0.007 0.000 0.908 173 G HN 0.089 nan 8.290 nan 0.000 0.524 174 V N 1.270 121.187 119.914 0.006 0.000 2.432 174 V HA 0.575 4.695 4.120 -0.000 0.000 0.271 174 V C -0.251 175.842 176.094 -0.002 0.000 1.046 174 V CA -0.492 61.811 62.300 0.004 0.000 0.945 174 V CB -0.037 31.788 31.823 0.002 0.000 0.992 174 V HN 0.431 nan 8.190 nan 0.000 0.471 175 I N 6.686 127.254 120.570 -0.004 0.000 2.465 175 I HA 0.511 4.681 4.170 -0.000 0.000 0.291 175 I C 0.191 176.297 176.117 -0.018 0.000 1.014 175 I CA -0.400 60.892 61.300 -0.014 0.000 1.093 175 I CB 2.409 40.396 38.000 -0.021 0.000 1.267 175 I HN 0.745 nan 8.210 nan 0.000 0.431 176 T N 2.627 117.169 114.554 -0.021 0.000 2.942 176 T HA 0.788 5.137 4.350 -0.000 0.000 0.289 176 T C -0.621 174.060 174.700 -0.031 0.000 1.044 176 T CA -0.772 61.314 62.100 -0.022 0.000 1.023 176 T CB 2.139 70.997 68.868 -0.016 0.000 1.123 176 T HN 0.200 nan 8.240 nan 0.000 0.512 177 V N 1.525 121.419 119.914 -0.033 0.000 2.487 177 V HA 0.586 4.706 4.120 -0.000 0.000 0.298 177 V C -0.326 175.754 176.094 -0.024 0.000 1.028 177 V CA -0.702 61.577 62.300 -0.035 0.000 0.860 177 V CB 1.410 33.202 31.823 -0.051 0.000 0.991 177 V HN 1.015 nan 8.190 nan 0.000 0.427 178 E N 1.610 121.797 120.200 -0.021 0.000 2.423 178 E HA 0.424 4.774 4.350 -0.000 0.000 0.269 178 E C -1.502 175.088 176.600 -0.016 0.000 0.948 178 E CA -1.075 55.315 56.400 -0.017 0.000 0.802 178 E CB 1.788 31.479 29.700 -0.016 0.000 1.339 178 E HN 0.578 nan 8.360 nan 0.000 0.445 179 D N 0.724 121.116 120.400 -0.013 0.000 2.382 179 D HA 0.195 4.835 4.640 -0.000 0.000 0.245 179 D C 0.059 176.352 176.300 -0.012 0.000 1.120 179 D CA 0.279 54.272 54.000 -0.012 0.000 0.890 179 D CB 1.084 41.878 40.800 -0.010 0.000 1.201 179 D HN 0.484 nan 8.370 nan 0.000 0.433 180 G N -0.249 108.544 108.800 -0.011 0.000 2.572 180 G HA2 0.287 4.247 3.960 -0.000 0.000 0.261 180 G HA3 0.287 4.247 3.960 -0.000 0.000 0.261 180 G C 0.923 175.817 174.900 -0.009 0.000 1.197 180 G CA -0.352 44.742 45.100 -0.011 0.000 0.870 180 G HN 0.445 nan 8.290 nan 0.000 0.548 181 T N -2.441 112.107 114.554 -0.009 0.000 3.060 181 T HA 0.490 4.840 4.350 -0.000 0.000 0.249 181 T C 1.092 175.788 174.700 -0.007 0.000 1.079 181 T CA 0.688 62.783 62.100 -0.008 0.000 1.013 181 T CB 0.339 69.202 68.868 -0.008 0.000 0.975 181 T HN 1.170 nan 8.240 nan 0.000 0.518 182 G N 0.780 109.576 108.800 -0.007 0.000 2.619 182 G HA2 0.406 4.366 3.960 -0.000 0.000 0.146 182 G HA3 0.406 4.366 3.960 -0.000 0.000 0.146 182 G C -0.192 174.704 174.900 -0.007 0.000 1.192 182 G CA -0.122 44.974 45.100 -0.006 0.000 1.063 182 G HN 0.125 nan 8.290 nan 0.000 0.538 183 L N -0.004 121.216 121.223 -0.006 0.000 2.102 183 L HA 0.402 4.742 4.340 -0.000 0.000 0.202 183 L C 1.038 177.904 176.870 -0.007 0.000 1.076 183 L CA 1.182 56.018 54.840 -0.006 0.000 0.761 183 L CB -0.366 41.689 42.059 -0.006 0.000 0.921 183 L HN 0.344 nan 8.230 nan 0.000 0.444 184 Q N 1.524 121.319 119.800 -0.007 0.000 2.352 184 Q HA 0.104 4.444 4.340 -0.000 0.000 0.260 184 Q C -0.765 175.229 176.000 -0.009 0.000 0.976 184 Q CA 0.022 55.821 55.803 -0.008 0.000 0.881 184 Q CB 0.524 29.258 28.738 -0.007 0.000 1.235 184 Q HN 0.306 nan 8.270 nan 0.000 0.419 185 D N 1.714 122.108 120.400 -0.010 0.000 2.313 185 D HA 0.195 4.834 4.640 -0.000 0.000 0.247 185 D C -0.106 176.187 176.300 -0.011 0.000 1.094 185 D CA 0.026 54.019 54.000 -0.011 0.000 0.925 185 D CB 1.091 41.883 40.800 -0.013 0.000 1.188 185 D HN 0.256 nan 8.370 nan 0.000 0.430 186 E N 0.608 120.801 120.200 -0.012 0.000 2.312 186 E HA 0.559 4.909 4.350 -0.000 0.000 0.267 186 E C -0.968 175.624 176.600 -0.013 0.000 0.894 186 E CA -0.954 55.439 56.400 -0.011 0.000 0.773 186 E CB 2.727 32.420 29.700 -0.011 0.000 1.241 186 E HN 0.155 nan 8.360 nan 0.000 0.432 187 L N 2.402 123.618 121.223 -0.012 0.000 2.516 187 L HA 0.449 4.789 4.340 -0.000 0.000 0.267 187 L C -2.059 174.805 176.870 -0.010 0.000 0.957 187 L CA -0.325 54.508 54.840 -0.012 0.000 0.860 187 L CB 1.532 43.583 42.059 -0.012 0.000 1.265 187 L HN 0.485 nan 8.230 nan 0.000 0.403 188 D N 4.387 124.780 120.400 -0.011 0.000 2.966 188 D HA 0.300 4.939 4.640 -0.000 0.000 0.222 188 D C -0.883 175.412 176.300 -0.009 0.000 1.292 188 D CA -0.388 53.606 54.000 -0.009 0.000 0.907 188 D CB 1.908 42.703 40.800 -0.009 0.000 1.621 188 D HN 0.303 nan 8.370 nan 0.000 0.557 189 V N 1.388 121.297 119.914 -0.007 0.000 2.637 189 V HA 0.364 4.484 4.120 -0.000 0.000 0.296 189 V C 0.552 176.643 176.094 -0.005 0.000 1.046 189 V CA -0.366 61.930 62.300 -0.006 0.000 1.066 189 V CB 1.261 33.082 31.823 -0.004 0.000 0.968 189 V HN 0.572 nan 8.190 nan 0.000 0.483 190 V N 3.313 123.225 119.914 -0.005 0.000 3.160 190 V HA 0.540 4.660 4.120 -0.000 0.000 0.310 190 V C -0.467 175.626 176.094 -0.001 0.000 1.181 190 V CA -0.886 61.412 62.300 -0.004 0.000 1.047 190 V CB 2.466 34.285 31.823 -0.007 0.000 1.068 190 V HN 0.955 nan 8.190 nan 0.000 0.441 191 E N 1.526 121.725 120.200 -0.001 0.000 2.292 191 E HA 0.547 4.897 4.350 -0.000 0.000 0.265 191 E C 0.058 176.662 176.600 0.006 0.000 1.093 191 E CA 1.236 57.638 56.400 0.003 0.000 0.922 191 E CB 0.403 30.105 29.700 0.003 0.000 1.001 191 E HN 1.020 nan 8.360 nan 0.000 0.444 192 G N 2.729 111.536 108.800 0.012 0.000 2.619 192 G HA2 0.610 4.570 3.960 -0.000 0.000 0.305 192 G HA3 0.610 4.570 3.960 -0.000 0.000 0.305 192 G C -1.391 173.528 174.900 0.031 0.000 1.330 192 G CA -0.613 44.498 45.100 0.018 0.000 0.789 192 G HN 0.503 nan 8.290 nan 0.000 0.487 193 M N -0.422 119.204 119.600 0.042 0.000 2.790 193 M HA 0.594 5.073 4.480 -0.000 0.000 0.272 193 M C -2.443 173.896 176.300 0.065 0.000 1.168 193 M CA -0.652 54.690 55.300 0.070 0.000 0.829 193 M CB 2.364 35.031 32.600 0.113 0.000 1.675 193 M HN 0.756 nan 8.290 nan 0.000 0.505 194 Q N 2.996 122.845 119.800 0.082 0.000 2.284 194 Q HA 0.647 4.987 4.340 -0.000 0.000 0.269 194 Q C -2.292 173.771 176.000 0.105 0.000 1.026 194 Q CA -0.655 55.148 55.803 0.001 0.000 0.831 194 Q CB 2.128 30.845 28.738 -0.035 0.000 1.322 194 Q HN 0.595 nan 8.270 nan 0.000 0.419 195 F N -0.001 119.945 119.950 -0.006 0.000 2.588 195 F HA 0.535 5.062 4.527 -0.000 0.000 0.314 195 F C -0.583 175.212 175.800 -0.008 0.000 1.069 195 F CA -1.175 56.822 58.000 -0.005 0.000 0.931 195 F CB 1.239 40.238 39.000 -0.002 0.000 1.260 195 F HN 0.303 nan 8.300 nan 0.000 0.465 196 D N 3.686 124.195 120.400 0.181 0.000 2.545 196 D HA 0.161 4.800 4.640 -0.000 0.000 0.227 196 D C -0.299 176.075 176.300 0.123 0.000 1.150 196 D CA 0.303 54.351 54.000 0.080 0.000 1.046 196 D CB 0.003 40.843 40.800 0.068 0.000 1.098 196 D HN 0.328 nan 8.370 nan 0.000 0.502 197 R N 0.736 121.273 120.500 0.062 0.000 2.510 197 R HA 0.423 4.763 4.340 -0.000 0.000 0.287 197 R C 0.204 176.465 176.300 -0.065 0.000 1.084 197 R CA -0.656 55.500 56.100 0.094 0.000 0.934 197 R CB 1.982 32.500 30.300 0.364 0.000 1.201 197 R HN 0.262 nan 8.270 nan 0.000 0.431 198 G N 1.295 110.036 108.800 -0.099 0.000 2.557 198 G HA2 0.415 4.375 3.960 -0.000 0.000 0.302 198 G HA3 0.415 4.375 3.960 -0.000 0.000 0.302 198 G C -0.569 174.252 174.900 -0.133 0.000 1.311 198 G CA -0.483 44.464 45.100 -0.254 0.000 1.030 198 G HN 0.429 nan 8.290 nan 0.000 0.509 199 Y N -0.838 119.506 120.300 0.074 0.000 2.497 199 Y HA 0.326 4.876 4.550 -0.000 0.000 0.334 199 Y C 1.348 177.371 175.900 0.206 0.000 1.199 199 Y CA -1.128 57.063 58.100 0.151 0.000 1.425 199 Y CB 0.254 38.851 38.460 0.229 0.000 1.291 199 Y HN 0.214 nan 8.280 nan 0.000 0.562 200 L N 1.311 122.835 121.223 0.501 0.000 2.109 200 L HA -0.053 4.287 4.340 -0.000 0.000 0.207 200 L C 1.127 178.204 176.870 0.345 0.000 1.086 200 L CA 1.487 56.553 54.840 0.378 0.000 0.760 200 L CB -0.196 42.063 42.059 0.334 0.000 0.910 200 L HN 0.741 nan 8.230 nan 0.000 0.437 201 S N -1.492 114.431 115.700 0.372 0.000 2.502 201 S HA 0.364 4.834 4.470 -0.000 0.000 0.304 201 S C -2.021 172.525 174.600 -0.089 0.000 1.097 201 S CA -1.512 56.675 58.200 -0.021 0.000 1.045 201 S CB 1.686 64.552 63.200 -0.557 0.000 1.019 201 S HN -0.201 nan 8.310 nan 0.000 0.481 202 P HA -0.025 nan 4.420 nan 0.000 0.222 202 P C 0.155 177.251 177.300 -0.341 0.000 1.147 202 P CA 0.848 63.761 63.100 -0.312 0.000 0.790 202 P CB -0.053 31.632 31.700 -0.025 0.000 0.780 203 Y N -2.778 117.282 120.300 -0.401 0.000 2.619 203 Y HA 0.021 4.571 4.550 -0.000 0.000 0.308 203 Y C 1.387 177.093 175.900 -0.322 0.000 1.192 203 Y CA 0.302 58.193 58.100 -0.349 0.000 1.319 203 Y CB -1.193 37.061 38.460 -0.344 0.000 1.030 203 Y HN -0.029 nan 8.280 nan 0.000 0.517 204 F N -0.693 119.172 119.950 -0.141 0.000 2.776 204 F HA 0.119 4.646 4.527 -0.000 0.000 0.300 204 F C 0.965 176.664 175.800 -0.169 0.000 1.116 204 F CA -0.783 57.144 58.000 -0.122 0.000 1.375 204 F CB -0.173 38.775 39.000 -0.086 0.000 1.109 204 F HN -0.185 nan 8.300 nan 0.000 0.585 205 I N 1.451 121.948 120.570 -0.123 0.000 2.826 205 I HA -0.165 4.004 4.170 -0.000 0.000 0.295 205 I C 0.796 176.892 176.117 -0.035 0.000 1.213 205 I CA 0.450 61.682 61.300 -0.113 0.000 1.436 205 I CB -0.587 37.305 38.000 -0.179 0.000 1.348 205 I HN 0.130 nan 8.210 nan 0.000 0.570 206 N N 4.647 123.345 118.700 -0.003 0.000 2.681 206 N HA 0.189 4.929 4.740 -0.000 0.000 0.311 206 N C 0.956 176.458 175.510 -0.014 0.000 1.303 206 N CA -0.512 52.540 53.050 0.002 0.000 0.926 206 N CB 0.682 39.180 38.487 0.017 0.000 1.136 206 N HN 0.209 nan 8.380 nan 0.000 0.592 207 K N 0.319 120.713 120.400 -0.011 0.000 2.107 207 K HA -0.080 4.240 4.320 -0.000 0.000 0.211 207 K C -1.636 174.953 176.600 -0.019 0.000 1.049 207 K CA 1.250 57.527 56.287 -0.018 0.000 0.927 207 K CB -1.318 31.175 32.500 -0.011 0.000 0.714 207 K HN 0.569 nan 8.250 nan 0.000 0.452 208 P HA -0.041 nan 4.420 nan 0.000 0.259 208 P C -0.719 176.576 177.300 -0.009 0.000 1.211 208 P CA 0.409 63.508 63.100 -0.002 0.000 0.810 208 P CB 0.923 32.631 31.700 0.013 0.000 0.815 209 E N 1.295 121.484 120.200 -0.019 0.000 2.331 209 E HA -0.140 4.209 4.350 -0.000 0.000 0.199 209 E C 1.608 178.198 176.600 -0.017 0.000 1.008 209 E CA 1.512 57.895 56.400 -0.030 0.000 0.843 209 E CB -0.862 28.817 29.700 -0.035 0.000 0.761 209 E HN 0.546 nan 8.360 nan 0.000 0.507 210 T N -2.275 112.278 114.554 -0.000 0.000 3.219 210 T HA 0.097 4.447 4.350 -0.000 0.000 0.264 210 T C 1.473 176.184 174.700 0.018 0.000 1.178 210 T CA 0.384 62.489 62.100 0.009 0.000 1.057 210 T CB -0.408 68.475 68.868 0.024 0.000 0.919 210 T HN 0.302 nan 8.240 nan 0.000 0.545 211 G N 0.157 108.971 108.800 0.022 0.000 2.182 211 G HA2 0.124 4.083 3.960 -0.000 0.000 0.248 211 G HA3 0.124 4.083 3.960 -0.000 0.000 0.248 211 G C 0.072 175.060 174.900 0.148 0.000 1.042 211 G CA -0.188 44.949 45.100 0.061 0.000 0.775 211 G HN 1.188 nan 8.290 nan 0.000 0.501 212 A N -1.731 121.155 122.820 0.109 0.000 2.483 212 A HA 1.039 5.359 4.320 -0.000 0.000 0.286 212 A C -0.296 177.354 177.584 0.111 0.000 1.207 212 A CA -0.168 51.956 52.037 0.144 0.000 0.764 212 A CB 2.320 21.365 19.000 0.076 0.000 1.341 212 A HN 1.856 nan 8.150 nan 0.000 0.428 213 V N 0.164 120.144 119.914 0.110 0.000 2.569 213 V HA 0.679 4.799 4.120 -0.000 0.000 0.301 213 V C -1.442 174.674 176.094 0.037 0.000 1.044 213 V CA -0.306 62.037 62.300 0.071 0.000 0.874 213 V CB 1.479 33.360 31.823 0.095 0.000 1.002 213 V HN 0.929 nan 8.190 nan 0.000 0.424 214 E N 5.365 125.577 120.200 0.019 0.000 2.179 214 E HA 0.721 5.071 4.350 -0.000 0.000 0.275 214 E C -1.134 175.465 176.600 -0.002 0.000 0.945 214 E CA -0.254 56.149 56.400 0.004 0.000 0.792 214 E CB 1.947 31.648 29.700 0.002 0.000 1.125 214 E HN 0.759 nan 8.360 nan 0.000 0.397 215 L N 2.912 124.128 121.223 -0.011 0.000 2.406 215 L HA 0.406 4.746 4.340 -0.000 0.000 0.270 215 L C -0.637 176.218 176.870 -0.025 0.000 0.982 215 L CA -0.883 53.947 54.840 -0.016 0.000 0.843 215 L CB 1.723 43.771 42.059 -0.019 0.000 1.225 215 L HN 0.377 nan 8.230 nan 0.000 0.412 216 E N 1.475 121.660 120.200 -0.026 0.000 2.259 216 E HA 0.243 4.592 4.350 -0.000 0.000 0.281 216 E C 0.207 176.772 176.600 -0.059 0.000 1.037 216 E CA 0.166 56.544 56.400 -0.037 0.000 0.854 216 E CB 0.908 30.590 29.700 -0.029 0.000 1.051 216 E HN 0.523 nan 8.360 nan 0.000 0.409 217 S N 2.689 118.342 115.700 -0.079 0.000 3.550 217 S HA -0.139 4.330 4.470 -0.000 0.000 0.372 217 S C -2.215 172.276 174.600 -0.182 0.000 0.966 217 S CA 0.468 58.588 58.200 -0.133 0.000 1.229 217 S CB -1.537 61.580 63.200 -0.139 0.000 0.917 217 S HN 0.485 nan 8.310 nan 0.000 0.496 218 P HA 0.420 nan 4.420 nan 0.000 0.276 218 P C -0.303 176.925 177.300 -0.121 0.000 1.244 218 P CA -0.499 62.549 63.100 -0.086 0.000 0.801 218 P CB 0.483 32.168 31.700 -0.025 0.000 1.006 219 F N 1.309 121.258 119.950 -0.003 0.000 2.391 219 F HA 0.248 4.775 4.527 -0.000 0.000 0.359 219 F C 0.694 176.494 175.800 0.000 0.000 1.122 219 F CA -0.590 57.410 58.000 -0.000 0.000 1.120 219 F CB 0.392 39.392 39.000 -0.000 0.000 1.142 219 F HN 0.050 nan 8.300 nan 0.000 0.483 220 I N 5.880 126.583 120.570 0.223 0.000 2.352 220 I HA 0.138 4.308 4.170 -0.000 0.000 0.290 220 I C -0.330 175.857 176.117 0.116 0.000 1.036 220 I CA -0.774 60.606 61.300 0.133 0.000 1.336 220 I CB 0.819 38.880 38.000 0.101 0.000 1.407 220 I HN 0.304 nan 8.210 nan 0.000 0.497 221 L N 8.637 129.906 121.223 0.077 0.000 2.276 221 L HA 0.477 4.817 4.340 -0.000 0.000 0.286 221 L C -0.912 175.979 176.870 0.034 0.000 1.024 221 L CA -0.272 54.594 54.840 0.043 0.000 0.826 221 L CB 0.885 42.958 42.059 0.024 0.000 1.211 221 L HN 0.354 nan 8.230 nan 0.000 0.422 222 L N 6.227 127.465 121.223 0.025 0.000 2.262 222 L HA 0.817 5.157 4.340 -0.000 0.000 0.288 222 L C 0.010 176.882 176.870 0.004 0.000 1.035 222 L CA -0.054 54.794 54.840 0.013 0.000 0.820 222 L CB 1.311 43.374 42.059 0.007 0.000 1.204 222 L HN 0.766 nan 8.230 nan 0.000 0.424 223 A N 1.624 124.447 122.820 0.004 0.000 2.385 223 A HA 0.528 4.848 4.320 -0.000 0.000 0.290 223 A C 0.070 177.656 177.584 0.002 0.000 1.094 223 A CA -0.625 51.414 52.037 0.003 0.000 0.729 223 A CB 0.728 19.732 19.000 0.007 0.000 1.194 223 A HN 0.722 nan 8.150 nan 0.000 0.442 224 D N 2.067 122.465 120.400 -0.002 0.000 2.336 224 D HA -0.018 4.622 4.640 -0.000 0.000 0.229 224 D C 0.449 176.753 176.300 0.008 0.000 1.061 224 D CA 0.301 54.300 54.000 -0.001 0.000 0.875 224 D CB 0.185 40.980 40.800 -0.008 0.000 0.904 224 D HN 0.526 nan 8.370 nan 0.000 0.525 225 K N 0.699 121.105 120.400 0.010 0.000 2.098 225 K HA 0.207 4.527 4.320 -0.000 0.000 0.244 225 K C -0.335 176.277 176.600 0.020 0.000 1.014 225 K CA -0.686 55.609 56.287 0.014 0.000 0.917 225 K CB 0.897 33.404 32.500 0.011 0.000 1.072 225 K HN -0.229 nan 8.250 nan 0.000 0.477 226 K N 3.166 123.578 120.400 0.021 0.000 2.268 226 K HA 0.271 4.591 4.320 -0.000 0.000 0.276 226 K C -0.557 176.058 176.600 0.025 0.000 1.080 226 K CA -0.593 55.710 56.287 0.026 0.000 0.910 226 K CB 0.691 33.207 32.500 0.026 0.000 1.163 226 K HN 0.411 nan 8.250 nan 0.000 0.465 227 I N 3.490 124.078 120.570 0.030 0.000 2.308 227 I HA 0.001 4.171 4.170 -0.000 0.000 0.293 227 I C 1.205 177.341 176.117 0.032 0.000 1.078 227 I CA 0.195 61.512 61.300 0.029 0.000 1.292 227 I CB 0.269 38.288 38.000 0.032 0.000 1.423 227 I HN 0.578 nan 8.210 nan 0.000 0.493 228 S N 3.677 119.392 115.700 0.025 0.000 2.506 228 S HA 0.151 4.621 4.470 -0.000 0.000 0.219 228 S C 0.717 175.329 174.600 0.019 0.000 1.031 228 S CA -0.268 57.946 58.200 0.022 0.000 0.911 228 S CB 0.422 63.632 63.200 0.017 0.000 0.812 228 S HN 0.645 nan 8.310 nan 0.000 0.497 229 N N 0.897 119.607 118.700 0.017 0.000 2.269 229 N HA 0.389 5.129 4.740 -0.000 0.000 0.304 229 N C 0.437 175.956 175.510 0.016 0.000 1.072 229 N CA -0.573 52.485 53.050 0.014 0.000 0.802 229 N CB 1.796 40.288 38.487 0.009 0.000 1.348 229 N HN 0.131 nan 8.380 nan 0.000 0.484 230 I N 1.621 122.200 120.570 0.015 0.000 2.546 230 I HA 0.070 4.240 4.170 -0.000 0.000 0.255 230 I C 2.038 178.161 176.117 0.010 0.000 1.163 230 I CA 0.658 61.968 61.300 0.016 0.000 1.457 230 I CB -0.372 37.639 38.000 0.018 0.000 1.092 230 I HN 0.425 nan 8.210 nan 0.000 0.434 231 R N 1.766 122.270 120.500 0.007 0.000 2.168 231 R HA -0.261 4.079 4.340 -0.000 0.000 0.242 231 R C 1.808 178.110 176.300 0.002 0.000 1.123 231 R CA 2.485 58.587 56.100 0.004 0.000 0.928 231 R CB -0.884 29.418 30.300 0.003 0.000 0.873 231 R HN 0.627 nan 8.270 nan 0.000 0.434 232 E N 0.011 120.212 120.200 0.003 0.000 2.485 232 E HA -0.085 4.265 4.350 -0.000 0.000 0.194 232 E C 1.313 177.912 176.600 -0.002 0.000 1.098 232 E CA 0.714 57.114 56.400 -0.000 0.000 0.878 232 E CB -0.035 29.665 29.700 0.001 0.000 0.939 232 E HN 0.407 nan 8.360 nan 0.000 0.503 233 M N -0.357 119.243 119.600 0.000 0.000 2.251 233 M HA 0.247 4.727 4.480 -0.000 0.000 0.308 233 M C 0.892 177.189 176.300 -0.005 0.000 0.967 233 M CA 0.086 55.385 55.300 -0.002 0.000 1.103 233 M CB 0.360 32.964 32.600 0.006 0.000 1.815 233 M HN 0.185 nan 8.290 nan 0.000 0.623 234 L N 1.231 122.453 121.223 -0.002 0.000 2.021 234 L HA -0.200 4.140 4.340 -0.000 0.000 0.215 234 L C -0.810 176.053 176.870 -0.011 0.000 1.074 234 L CA 1.811 56.650 54.840 -0.003 0.000 0.760 234 L CB -2.228 39.831 42.059 -0.001 0.000 0.889 234 L HN 0.226 nan 8.230 nan 0.000 0.433 235 P HA -0.163 nan 4.420 nan 0.000 0.215 235 P C 1.915 179.193 177.300 -0.038 0.000 1.157 235 P CA 1.336 64.422 63.100 -0.024 0.000 0.874 235 P CB 0.012 31.698 31.700 -0.024 0.000 0.790 236 V N -0.541 119.348 119.914 -0.043 0.000 2.261 236 V HA -0.251 3.869 4.120 -0.000 0.000 0.246 236 V C 2.482 178.538 176.094 -0.063 0.000 1.047 236 V CA 1.760 64.019 62.300 -0.068 0.000 1.015 236 V CB -1.484 30.303 31.823 -0.060 0.000 0.642 236 V HN 0.058 nan 8.190 nan 0.000 0.446 237 L N -0.230 120.974 121.223 -0.032 0.000 2.043 237 L HA -0.265 4.075 4.340 -0.000 0.000 0.212 237 L C 2.638 179.500 176.870 -0.013 0.000 1.075 237 L CA 1.919 56.751 54.840 -0.014 0.000 0.752 237 L CB -0.707 41.354 42.059 0.003 0.000 0.891 237 L HN 0.427 nan 8.230 nan 0.000 0.432 238 E N -0.050 120.140 120.200 -0.017 0.000 2.051 238 E HA -0.227 4.123 4.350 -0.000 0.000 0.192 238 E C 2.334 178.922 176.600 -0.021 0.000 0.991 238 E CA 1.187 57.579 56.400 -0.013 0.000 0.799 238 E CB -0.236 29.456 29.700 -0.013 0.000 0.748 238 E HN 0.517 nan 8.360 nan 0.000 0.449 239 A N 1.017 123.809 122.820 -0.047 0.000 1.908 239 A HA -0.170 4.150 4.320 -0.000 0.000 0.218 239 A C 2.532 180.072 177.584 -0.073 0.000 1.181 239 A CA 1.389 53.384 52.037 -0.070 0.000 0.627 239 A CB -0.774 18.157 19.000 -0.115 0.000 0.818 239 A HN 0.125 nan 8.150 nan 0.000 0.445 240 V N -0.105 119.757 119.914 -0.086 0.000 2.343 240 V HA -0.265 3.855 4.120 -0.000 0.000 0.247 240 V C 3.058 179.187 176.094 0.057 0.000 1.051 240 V CA 1.963 64.249 62.300 -0.024 0.000 1.036 240 V CB -1.351 30.472 31.823 -0.001 0.000 0.654 240 V HN 0.627 nan 8.190 nan 0.000 0.451 241 A N -0.127 122.712 122.820 0.031 0.000 1.908 241 A HA -0.267 4.053 4.320 -0.000 0.000 0.218 241 A C 2.278 179.887 177.584 0.042 0.000 1.181 241 A CA 2.090 54.151 52.037 0.039 0.000 0.627 241 A CB -0.484 18.530 19.000 0.025 0.000 0.818 241 A HN 0.566 nan 8.150 nan 0.000 0.445 242 K N -0.423 119.995 120.400 0.030 0.000 2.147 242 K HA -0.055 4.265 4.320 -0.000 0.000 0.205 242 K C 2.034 178.667 176.600 0.055 0.000 1.049 242 K CA 1.073 57.379 56.287 0.032 0.000 0.936 242 K CB -0.261 32.249 32.500 0.017 0.000 0.722 242 K HN 0.466 nan 8.250 nan 0.000 0.446 243 A N 0.286 123.160 122.820 0.090 0.000 2.123 243 A HA 0.138 4.458 4.320 -0.000 0.000 0.214 243 A C 1.733 179.385 177.584 0.113 0.000 1.152 243 A CA 1.033 53.156 52.037 0.144 0.000 0.728 243 A CB -0.384 18.806 19.000 0.318 0.000 0.814 243 A HN 0.411 nan 8.150 nan 0.000 0.464 244 G N -0.605 108.250 108.800 0.091 0.000 2.220 244 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.269 244 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.269 244 G C 0.339 175.279 174.900 0.067 0.000 0.977 244 G CA 0.906 46.045 45.100 0.065 0.000 0.634 244 G HN 0.623 nan 8.290 nan 0.000 0.539 245 K N 1.770 122.231 120.400 0.102 0.000 2.185 245 K HA 0.447 4.767 4.320 -0.000 0.000 0.271 245 K C -1.826 174.835 176.600 0.101 0.000 1.013 245 K CA -1.444 54.884 56.287 0.069 0.000 0.943 245 K CB 1.209 33.715 32.500 0.011 0.000 0.998 245 K HN 0.148 nan 8.250 nan 0.000 0.468 246 P HA 0.096 nan 4.420 nan 0.000 0.275 246 P C -1.070 176.285 177.300 0.090 0.000 1.270 246 P CA -0.445 62.688 63.100 0.055 0.000 0.791 246 P CB 0.598 32.310 31.700 0.019 0.000 1.089 247 L N 0.026 121.287 121.223 0.063 0.000 2.388 247 L HA 0.605 4.945 4.340 -0.000 0.000 0.264 247 L C -1.554 175.322 176.870 0.011 0.000 0.998 247 L CA -0.980 53.906 54.840 0.076 0.000 0.817 247 L CB 1.899 44.000 42.059 0.071 0.000 1.338 247 L HN 0.163 nan 8.230 nan 0.000 0.414 248 L N 5.455 126.694 121.223 0.027 0.000 2.343 248 L HA 0.631 4.971 4.340 -0.000 0.000 0.278 248 L C -1.325 175.553 176.870 0.013 0.000 0.996 248 L CA -0.101 54.735 54.840 -0.008 0.000 0.831 248 L CB 1.308 43.376 42.059 0.015 0.000 1.232 248 L HN 0.529 nan 8.230 nan 0.000 0.413 249 I N 6.739 127.298 120.570 -0.018 0.000 2.307 249 I HA 0.348 4.517 4.170 -0.000 0.000 0.289 249 I C -0.437 175.702 176.117 0.037 0.000 1.021 249 I CA -0.266 61.040 61.300 0.011 0.000 1.224 249 I CB 0.994 38.995 38.000 0.003 0.000 1.376 249 I HN 0.504 nan 8.210 nan 0.000 0.470 250 I N 6.580 127.183 120.570 0.055 0.000 2.347 250 I HA 0.546 4.716 4.170 -0.000 0.000 0.283 250 I C 0.324 176.464 176.117 0.038 0.000 1.058 250 I CA -0.070 61.273 61.300 0.072 0.000 1.202 250 I CB 0.932 38.983 38.000 0.085 0.000 1.386 250 I HN 0.619 nan 8.210 nan 0.000 0.475 251 A N 4.586 127.432 122.820 0.042 0.000 2.437 251 A HA 0.439 4.759 4.320 -0.000 0.000 0.292 251 A C 0.944 178.547 177.584 0.032 0.000 1.173 251 A CA -0.541 51.514 52.037 0.030 0.000 0.785 251 A CB 1.391 20.413 19.000 0.035 0.000 1.351 251 A HN 0.693 nan 8.150 nan 0.000 0.431 252 E N -0.690 119.526 120.200 0.027 0.000 2.085 252 E HA -0.159 4.191 4.350 -0.000 0.000 0.194 252 E C -0.530 176.098 176.600 0.046 0.000 0.994 252 E CA 1.640 58.059 56.400 0.032 0.000 0.801 252 E CB 0.144 29.863 29.700 0.030 0.000 0.743 252 E HN 0.589 nan 8.360 nan 0.000 0.453 253 D N -1.752 118.677 120.400 0.049 0.000 2.738 253 D HA 0.089 4.729 4.640 -0.000 0.000 0.229 253 D C -1.895 174.439 176.300 0.058 0.000 1.200 253 D CA -0.426 53.608 54.000 0.058 0.000 0.746 253 D CB 1.626 42.457 40.800 0.051 0.000 1.597 253 D HN -0.129 nan 8.370 nan 0.000 0.471 254 V N 3.248 123.206 119.914 0.073 0.000 2.347 254 V HA 0.389 4.509 4.120 -0.000 0.000 0.280 254 V C 0.086 176.221 176.094 0.068 0.000 1.021 254 V CA -0.564 61.782 62.300 0.076 0.000 0.847 254 V CB 1.379 33.266 31.823 0.106 0.000 0.990 254 V HN 0.400 nan 8.190 nan 0.000 0.444 255 E N 3.043 123.272 120.200 0.048 0.000 2.283 255 E HA 0.385 4.735 4.350 -0.000 0.000 0.278 255 E C 0.889 177.504 176.600 0.026 0.000 1.027 255 E CA -0.281 56.140 56.400 0.034 0.000 0.843 255 E CB 1.305 31.020 29.700 0.024 0.000 1.062 255 E HN 0.811 nan 8.360 nan 0.000 0.401 256 G N 2.820 111.627 108.800 0.013 0.000 3.392 256 G HA2 -0.100 3.860 3.960 -0.000 0.000 0.247 256 G HA3 -0.100 3.860 3.960 -0.000 0.000 0.247 256 G C 0.411 175.303 174.900 -0.013 0.000 1.161 256 G CA 0.040 45.136 45.100 -0.008 0.000 1.739 256 G HN 0.532 nan 8.290 nan 0.000 0.619 257 E N -0.351 119.847 120.200 -0.003 0.000 2.134 257 E HA 0.238 4.588 4.350 -0.000 0.000 0.194 257 E C 2.242 178.838 176.600 -0.006 0.000 0.937 257 E CA 0.750 57.146 56.400 -0.006 0.000 0.874 257 E CB 0.389 30.089 29.700 0.000 0.000 0.853 257 E HN 0.392 nan 8.360 nan 0.000 0.471 258 A N -0.065 122.757 122.820 0.003 0.000 1.878 258 A HA 0.150 4.470 4.320 -0.000 0.000 0.201 258 A C 1.639 179.231 177.584 0.015 0.000 1.684 258 A CA -0.201 51.839 52.037 0.005 0.000 1.113 258 A CB -0.318 18.685 19.000 0.006 0.000 1.131 258 A HN 0.117 nan 8.150 nan 0.000 0.472 259 L N 0.653 121.891 121.223 0.025 0.000 1.950 259 L HA 0.091 4.431 4.340 -0.000 0.000 0.210 259 L C 2.688 179.595 176.870 0.060 0.000 1.079 259 L CA 2.431 57.297 54.840 0.043 0.000 0.754 259 L CB -0.688 41.401 42.059 0.050 0.000 0.889 259 L HN 0.348 nan 8.230 nan 0.000 0.433 260 A N -1.560 121.300 122.820 0.067 0.000 1.986 260 A HA -0.252 4.068 4.320 -0.000 0.000 0.220 260 A C 2.170 179.756 177.584 0.004 0.000 1.171 260 A CA 2.453 54.537 52.037 0.078 0.000 0.640 260 A CB -1.339 17.697 19.000 0.060 0.000 0.811 260 A HN 0.643 nan 8.150 nan 0.000 0.451 261 T N 0.302 114.849 114.554 -0.012 0.000 2.643 261 T HA -0.009 4.341 4.350 -0.000 0.000 0.264 261 T C 2.283 176.967 174.700 -0.026 0.000 1.045 261 T CA 1.769 63.844 62.100 -0.042 0.000 1.155 261 T CB -0.621 68.227 68.868 -0.033 0.000 0.863 261 T HN 0.622 nan 8.240 nan 0.000 0.420 262 A N 1.162 123.984 122.820 0.004 0.000 1.873 262 A HA -0.029 4.291 4.320 -0.000 0.000 0.215 262 A C 2.613 180.223 177.584 0.043 0.000 1.186 262 A CA 1.386 53.433 52.037 0.017 0.000 0.616 262 A CB -1.197 17.817 19.000 0.023 0.000 0.823 262 A HN 0.321 nan 8.150 nan 0.000 0.442 263 V N -0.424 119.539 119.914 0.081 0.000 2.453 263 V HA -0.255 3.865 4.120 -0.000 0.000 0.252 263 V C 2.352 178.556 176.094 0.183 0.000 1.068 263 V CA 2.117 64.515 62.300 0.163 0.000 1.070 263 V CB -0.713 31.262 31.823 0.254 0.000 0.664 263 V HN 0.396 nan 8.190 nan 0.000 0.461 264 V N -0.636 119.301 119.914 0.039 0.000 2.543 264 V HA -0.025 4.095 4.120 -0.000 0.000 0.232 264 V C 2.086 178.155 176.094 -0.042 0.000 1.087 264 V CA 1.249 63.499 62.300 -0.084 0.000 1.113 264 V CB -0.734 30.898 31.823 -0.318 0.000 0.779 264 V HN 0.423 nan 8.190 nan 0.000 0.495 265 N N 0.583 119.241 118.700 -0.070 0.000 2.137 265 N HA -0.167 4.573 4.740 -0.000 0.000 0.190 265 N C 1.720 177.224 175.510 -0.010 0.000 1.017 265 N CA 2.232 55.253 53.050 -0.048 0.000 0.859 265 N CB -0.165 38.283 38.487 -0.064 0.000 1.002 265 N HN 0.496 nan 8.380 nan 0.000 0.428 266 T N 1.247 115.804 114.554 0.004 0.000 2.925 266 T HA 0.211 4.561 4.350 -0.000 0.000 0.245 266 T C 1.340 176.059 174.700 0.032 0.000 1.025 266 T CA 0.088 62.198 62.100 0.017 0.000 1.149 266 T CB 0.254 69.132 68.868 0.018 0.000 0.866 266 T HN 0.085 nan 8.240 nan 0.000 0.437 267 I N 3.011 123.611 120.570 0.051 0.000 2.397 267 I HA 0.110 4.280 4.170 -0.000 0.000 0.291 267 I C 0.909 177.070 176.117 0.073 0.000 1.125 267 I CA 0.019 61.360 61.300 0.068 0.000 1.961 267 I CB -0.009 38.048 38.000 0.096 0.000 1.508 267 I HN -0.042 nan 8.210 nan 0.000 0.886 268 R N 2.358 122.888 120.500 0.051 0.000 2.427 268 R HA 0.298 4.637 4.340 -0.000 0.000 0.262 268 R C 1.188 177.512 176.300 0.039 0.000 0.943 268 R CA 0.221 56.348 56.100 0.046 0.000 1.081 268 R CB 0.964 31.284 30.300 0.034 0.000 1.166 268 R HN 0.665 nan 8.270 nan 0.000 0.534 269 G N -0.117 108.708 108.800 0.041 0.000 4.103 269 G HA2 -0.118 3.842 3.960 -0.000 0.000 0.163 269 G HA3 -0.118 3.842 3.960 -0.000 0.000 0.163 269 G C 0.871 175.791 174.900 0.034 0.000 0.840 269 G CA -0.191 44.929 45.100 0.034 0.000 0.905 269 G HN 0.181 nan 8.290 nan 0.000 0.377 270 I N 1.197 121.788 120.570 0.035 0.000 2.226 270 I HA 0.116 4.286 4.170 -0.000 0.000 0.245 270 I C 0.310 176.449 176.117 0.037 0.000 1.100 270 I CA 1.492 62.812 61.300 0.033 0.000 1.374 270 I CB 0.126 38.145 38.000 0.030 0.000 1.057 270 I HN 0.016 nan 8.210 nan 0.000 0.413 271 V N -0.036 119.905 119.914 0.046 0.000 3.160 271 V HA 0.346 4.466 4.120 -0.000 0.000 0.310 271 V C -0.835 175.293 176.094 0.057 0.000 1.181 271 V CA -1.046 61.284 62.300 0.050 0.000 1.047 271 V CB 1.876 33.730 31.823 0.052 0.000 1.068 271 V HN -0.043 nan 8.190 nan 0.000 0.441 272 K N 1.256 121.687 120.400 0.052 0.000 2.473 272 K HA 0.686 5.006 4.320 -0.000 0.000 0.246 272 K C -1.548 175.072 176.600 0.033 0.000 1.011 272 K CA -0.263 56.054 56.287 0.049 0.000 0.984 272 K CB 1.692 34.212 32.500 0.034 0.000 1.250 272 K HN 0.426 nan 8.250 nan 0.000 0.454 273 V N 1.782 121.719 119.914 0.038 0.000 2.540 273 V HA 0.683 4.803 4.120 -0.000 0.000 0.302 273 V C -0.442 175.497 176.094 -0.258 0.000 1.035 273 V CA -0.916 61.363 62.300 -0.035 0.000 0.873 273 V CB 1.652 33.491 31.823 0.027 0.000 0.992 273 V HN 0.773 nan 8.190 nan 0.000 0.428 274 A N 3.458 126.024 122.820 -0.423 0.000 2.401 274 A HA 1.022 5.342 4.320 -0.000 0.000 0.310 274 A C -0.407 176.799 177.584 -0.631 0.000 1.075 274 A CA -0.350 51.152 52.037 -0.892 0.000 0.746 274 A CB 1.889 20.619 19.000 -0.451 0.000 1.277 274 A HN 1.487 nan 8.150 nan 0.000 0.425 275 A N 0.704 123.087 122.820 -0.728 0.000 2.414 275 A HA 0.828 5.148 4.320 -0.000 0.000 0.306 275 A C -0.501 177.084 177.584 0.002 0.000 1.054 275 A CA -0.073 51.852 52.037 -0.187 0.000 0.724 275 A CB 1.344 20.337 19.000 -0.012 0.000 1.267 275 A HN 2.312 nan 8.150 nan 0.000 0.418 276 V N -0.967 118.986 119.914 0.064 0.000 3.114 276 V HA 0.648 4.768 4.120 -0.000 0.000 0.308 276 V C -0.640 175.539 176.094 0.141 0.000 1.168 276 V CA -1.237 61.139 62.300 0.126 0.000 1.015 276 V CB 1.614 33.521 31.823 0.141 0.000 1.050 276 V HN 0.856 nan 8.190 nan 0.000 0.433 277 K N 1.680 122.170 120.400 0.150 0.000 2.154 277 K HA 0.722 5.042 4.320 -0.000 0.000 0.264 277 K C 0.334 177.002 176.600 0.113 0.000 1.008 277 K CA 0.152 56.510 56.287 0.118 0.000 0.937 277 K CB 1.556 34.119 32.500 0.105 0.000 1.002 277 K HN 1.128 nan 8.250 nan 0.000 0.469 278 A N 3.949 126.788 122.820 0.032 0.000 2.445 278 A HA 0.211 4.531 4.320 -0.000 0.000 0.242 278 A C -2.059 175.469 177.584 -0.094 0.000 1.075 278 A CA -1.074 50.915 52.037 -0.081 0.000 0.777 278 A CB -0.362 18.595 19.000 -0.073 0.000 1.013 278 A HN 0.459 nan 8.150 nan 0.000 0.493 279 P HA 0.389 nan 4.420 nan 0.000 0.275 279 P C 0.637 177.898 177.300 -0.065 0.000 1.228 279 P CA 1.416 64.423 63.100 -0.155 0.000 0.786 279 P CB 0.714 32.196 31.700 -0.364 0.000 0.927 280 G N 2.157 110.976 108.800 0.031 0.000 2.750 280 G HA2 -0.083 3.877 3.960 -0.000 0.000 0.228 280 G HA3 -0.083 3.877 3.960 -0.000 0.000 0.228 280 G C -0.784 174.211 174.900 0.158 0.000 1.367 280 G CA -0.012 45.131 45.100 0.072 0.000 0.871 280 G HN 0.743 nan 8.290 nan 0.000 0.560 281 F N -2.135 117.819 119.950 0.008 0.000 2.726 281 F HA 0.836 5.363 4.527 -0.000 0.000 0.324 281 F C 1.112 176.921 175.800 0.015 0.000 1.140 281 F CA 0.261 58.267 58.000 0.011 0.000 0.964 281 F CB 0.896 39.909 39.000 0.021 0.000 1.399 281 F HN 2.470 nan 8.300 nan 0.000 0.491 282 G N 1.308 110.161 108.800 0.087 0.000 2.582 282 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.288 282 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.288 282 G C 0.279 175.110 174.900 -0.114 0.000 1.247 282 G CA 0.705 45.766 45.100 -0.065 0.000 0.972 282 G HN 0.884 nan 8.290 nan 0.000 0.557 283 D N 0.434 120.752 120.400 -0.138 0.000 2.144 283 D HA -0.047 4.593 4.640 -0.000 0.000 0.200 283 D C 2.633 178.863 176.300 -0.117 0.000 0.978 283 D CA 1.343 55.285 54.000 -0.096 0.000 0.833 283 D CB -0.212 40.545 40.800 -0.073 0.000 0.961 283 D HN 0.521 nan 8.370 nan 0.000 0.470 284 R N 0.592 120.984 120.500 -0.179 0.000 2.105 284 R HA -0.067 4.273 4.340 -0.000 0.000 0.239 284 R C 2.359 178.579 176.300 -0.132 0.000 1.135 284 R CA 0.838 56.841 56.100 -0.162 0.000 0.967 284 R CB -0.190 29.983 30.300 -0.212 0.000 0.861 284 R HN 0.119 nan 8.270 nan 0.000 0.442 285 R N 1.586 122.012 120.500 -0.123 0.000 2.091 285 R HA -0.181 4.159 4.340 -0.000 0.000 0.238 285 R C 1.568 177.819 176.300 -0.081 0.000 1.136 285 R CA 1.789 57.840 56.100 -0.082 0.000 0.959 285 R CB 0.024 30.307 30.300 -0.029 0.000 0.856 285 R HN 0.180 nan 8.270 nan 0.000 0.437 286 K N -0.217 120.142 120.400 -0.068 0.000 2.031 286 K HA -0.041 4.279 4.320 -0.000 0.000 0.205 286 K C 2.193 178.756 176.600 -0.063 0.000 1.049 286 K CA 1.209 57.462 56.287 -0.056 0.000 0.939 286 K CB -0.153 32.322 32.500 -0.041 0.000 0.717 286 K HN 0.199 nan 8.250 nan 0.000 0.438 287 A N 1.750 124.528 122.820 -0.070 0.000 1.858 287 A HA -0.189 4.131 4.320 -0.000 0.000 0.216 287 A C 2.227 179.765 177.584 -0.076 0.000 1.190 287 A CA 1.689 53.686 52.037 -0.067 0.000 0.617 287 A CB -0.576 18.382 19.000 -0.070 0.000 0.827 287 A HN 0.176 nan 8.150 nan 0.000 0.443 288 M N -0.750 118.791 119.600 -0.099 0.000 2.108 288 M HA -0.144 4.336 4.480 -0.000 0.000 0.261 288 M C 2.184 178.404 176.300 -0.133 0.000 1.066 288 M CA 1.444 56.670 55.300 -0.123 0.000 1.107 288 M CB -0.551 31.952 32.600 -0.161 0.000 1.356 288 M HN 0.383 nan 8.290 nan 0.000 0.406 289 L N 0.093 121.239 121.223 -0.128 0.000 2.127 289 L HA -0.261 4.079 4.340 -0.000 0.000 0.211 289 L C 2.883 179.712 176.870 -0.070 0.000 1.089 289 L CA 1.316 56.090 54.840 -0.111 0.000 0.757 289 L CB -0.634 41.375 42.059 -0.083 0.000 0.899 289 L HN 0.483 nan 8.230 nan 0.000 0.434 290 Q N 0.314 120.079 119.800 -0.058 0.000 2.046 290 Q HA -0.232 4.107 4.340 -0.000 0.000 0.200 290 Q C 1.539 177.518 176.000 -0.034 0.000 0.975 290 Q CA 2.018 57.797 55.803 -0.038 0.000 0.836 290 Q CB -0.106 28.611 28.738 -0.035 0.000 0.896 290 Q HN 0.497 nan 8.270 nan 0.000 0.428 291 D N 0.946 121.320 120.400 -0.043 0.000 2.116 291 D HA -0.164 4.475 4.640 -0.000 0.000 0.193 291 D C 2.122 178.409 176.300 -0.021 0.000 0.998 291 D CA 1.438 55.419 54.000 -0.032 0.000 0.836 291 D CB -0.462 40.313 40.800 -0.041 0.000 0.951 291 D HN 0.377 nan 8.370 nan 0.000 0.449 292 I N 1.080 121.628 120.570 -0.036 0.000 2.226 292 I HA -0.256 3.914 4.170 -0.000 0.000 0.245 292 I C 2.495 178.617 176.117 0.008 0.000 1.100 292 I CA 0.979 62.273 61.300 -0.009 0.000 1.374 292 I CB -0.301 37.673 38.000 -0.043 0.000 1.057 292 I HN -0.063 nan 8.210 nan 0.000 0.413 293 A N 1.315 124.132 122.820 -0.005 0.000 1.845 293 A HA -0.253 4.066 4.320 -0.000 0.000 0.215 293 A C 2.494 180.085 177.584 0.012 0.000 1.195 293 A CA 2.813 54.854 52.037 0.006 0.000 0.616 293 A CB -1.356 17.643 19.000 -0.003 0.000 0.832 293 A HN 0.519 nan 8.150 nan 0.000 0.443 294 T N -1.459 113.097 114.554 0.004 0.000 2.720 294 T HA -0.149 4.201 4.350 -0.000 0.000 0.268 294 T C 1.846 176.553 174.700 0.011 0.000 1.037 294 T CA 1.363 63.467 62.100 0.006 0.000 1.144 294 T CB -0.535 68.332 68.868 -0.000 0.000 0.864 294 T HN 0.219 nan 8.240 nan 0.000 0.444 295 L N 2.554 123.785 121.223 0.013 0.000 2.012 295 L HA -0.078 4.262 4.340 -0.000 0.000 0.210 295 L C 2.432 179.316 176.870 0.023 0.000 1.073 295 L CA 2.751 57.602 54.840 0.019 0.000 0.748 295 L CB -1.568 40.507 42.059 0.026 0.000 0.891 295 L HN 0.637 nan 8.230 nan 0.000 0.431 296 T N -4.024 110.548 114.554 0.030 0.000 3.107 296 T HA 0.251 4.601 4.350 -0.000 0.000 0.249 296 T C 1.395 176.116 174.700 0.036 0.000 1.096 296 T CA 0.521 62.642 62.100 0.034 0.000 1.012 296 T CB 0.079 68.977 68.868 0.049 0.000 0.977 296 T HN 0.579 nan 8.240 nan 0.000 0.527 297 G N 0.569 109.388 108.800 0.030 0.000 2.162 297 G HA2 -0.083 3.877 3.960 -0.000 0.000 0.260 297 G HA3 -0.083 3.877 3.960 -0.000 0.000 0.260 297 G C 0.413 175.338 174.900 0.041 0.000 0.976 297 G CA -0.121 44.998 45.100 0.031 0.000 0.655 297 G HN 1.034 nan 8.290 nan 0.000 0.533 298 G N -0.929 107.898 108.800 0.045 0.000 2.531 298 G HA2 0.804 4.763 3.960 -0.000 0.000 0.313 298 G HA3 0.804 4.763 3.960 -0.000 0.000 0.313 298 G C 0.104 175.020 174.900 0.026 0.000 1.238 298 G CA 0.529 45.658 45.100 0.047 0.000 0.994 298 G HN 1.191 nan 8.290 nan 0.000 0.493 299 T N -2.479 112.086 114.554 0.019 0.000 2.885 299 T HA 0.590 4.940 4.350 -0.000 0.000 0.285 299 T C -0.414 174.288 174.700 0.003 0.000 1.019 299 T CA -0.690 61.415 62.100 0.007 0.000 1.010 299 T CB 1.815 70.684 68.868 0.003 0.000 1.022 299 T HN 0.353 nan 8.240 nan 0.000 0.466 300 V N 2.491 122.404 119.914 -0.003 0.000 2.509 300 V HA 0.347 4.466 4.120 -0.000 0.000 0.284 300 V C -0.058 176.032 176.094 -0.007 0.000 1.047 300 V CA -0.784 61.513 62.300 -0.006 0.000 0.952 300 V CB 0.800 32.615 31.823 -0.013 0.000 0.988 300 V HN 0.776 nan 8.190 nan 0.000 0.469 301 I N 4.779 125.346 120.570 -0.006 0.000 2.291 301 I HA 0.269 4.439 4.170 -0.000 0.000 0.292 301 I C 0.459 176.573 176.117 -0.005 0.000 1.064 301 I CA 0.707 62.004 61.300 -0.006 0.000 1.269 301 I CB 1.170 39.166 38.000 -0.006 0.000 1.418 301 I HN 0.727 nan 8.210 nan 0.000 0.485 302 S N 3.883 119.579 115.700 -0.005 0.000 2.498 302 S HA 0.422 4.892 4.470 -0.000 0.000 0.317 302 S C 0.671 175.269 174.600 -0.003 0.000 1.090 302 S CA -0.827 57.371 58.200 -0.004 0.000 1.089 302 S CB 1.294 64.490 63.200 -0.006 0.000 0.997 302 S HN 0.599 nan 8.310 nan 0.000 0.470 303 E N 2.151 122.351 120.200 -0.000 0.000 2.209 303 E HA -0.213 4.137 4.350 -0.000 0.000 0.196 303 E C 1.319 177.919 176.600 -0.000 0.000 0.993 303 E CA 1.474 57.874 56.400 0.000 0.000 0.819 303 E CB -0.071 29.630 29.700 0.003 0.000 0.745 303 E HN 0.821 nan 8.360 nan 0.000 0.477 304 E N 0.378 120.578 120.200 -0.000 0.000 2.085 304 E HA -0.179 4.171 4.350 -0.000 0.000 0.194 304 E C 1.652 178.250 176.600 -0.002 0.000 0.994 304 E CA 0.791 57.190 56.400 -0.001 0.000 0.801 304 E CB 0.046 29.745 29.700 -0.002 0.000 0.743 304 E HN 0.247 nan 8.360 nan 0.000 0.453 305 I N -0.277 120.292 120.570 -0.003 0.000 3.684 305 I HA 0.090 4.260 4.170 -0.000 0.000 0.304 305 I C 1.417 177.532 176.117 -0.003 0.000 1.278 305 I CA 0.756 62.053 61.300 -0.004 0.000 1.272 305 I CB -0.653 37.344 38.000 -0.005 0.000 1.029 305 I HN 0.226 nan 8.210 nan 0.000 0.458 306 G N 1.248 110.047 108.800 -0.003 0.000 2.136 306 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.242 306 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.242 306 G C 0.374 175.272 174.900 -0.003 0.000 0.989 306 G CA -0.218 44.881 45.100 -0.002 0.000 0.682 306 G HN 0.181 nan 8.290 nan 0.000 0.522 307 M N 0.752 120.350 119.600 -0.004 0.000 2.238 307 M HA 0.302 4.782 4.480 -0.000 0.000 0.350 307 M C 0.490 176.787 176.300 -0.005 0.000 1.321 307 M CA 0.736 56.033 55.300 -0.005 0.000 1.097 307 M CB 0.128 32.725 32.600 -0.006 0.000 1.713 307 M HN 0.298 nan 8.290 nan 0.000 0.455 308 E N 2.977 123.173 120.200 -0.006 0.000 2.165 308 E HA 0.282 4.632 4.350 -0.000 0.000 0.266 308 E C 0.510 177.104 176.600 -0.009 0.000 0.889 308 E CA -0.407 55.990 56.400 -0.006 0.000 0.756 308 E CB 2.017 31.713 29.700 -0.006 0.000 1.131 308 E HN 0.621 nan 8.360 nan 0.000 0.411 309 L N 2.438 123.656 121.223 -0.007 0.000 2.265 309 L HA -0.193 4.147 4.340 -0.000 0.000 0.215 309 L C 1.694 178.556 176.870 -0.013 0.000 1.117 309 L CA 1.323 56.157 54.840 -0.010 0.000 0.782 309 L CB -0.181 41.874 42.059 -0.006 0.000 0.914 309 L HN 0.626 nan 8.230 nan 0.000 0.441 310 E N 0.151 120.345 120.200 -0.010 0.000 2.204 310 E HA -0.218 4.132 4.350 -0.000 0.000 0.195 310 E C 1.301 177.892 176.600 -0.015 0.000 0.990 310 E CA 0.946 57.340 56.400 -0.011 0.000 0.821 310 E CB 0.049 29.744 29.700 -0.008 0.000 0.750 310 E HN 0.471 nan 8.360 nan 0.000 0.477 311 K N 0.140 120.530 120.400 -0.016 0.000 2.414 311 K HA 0.283 4.603 4.320 -0.000 0.000 0.204 311 K C -0.155 176.429 176.600 -0.026 0.000 1.026 311 K CA -0.222 56.054 56.287 -0.019 0.000 1.108 311 K CB 1.295 33.786 32.500 -0.015 0.000 0.855 311 K HN -0.067 nan 8.250 nan 0.000 0.517 312 A N 2.529 125.331 122.820 -0.030 0.000 2.475 312 A HA 0.100 4.420 4.320 -0.000 0.000 0.293 312 A C 0.594 178.142 177.584 -0.060 0.000 1.252 312 A CA -0.139 51.874 52.037 -0.040 0.000 0.920 312 A CB -0.559 18.418 19.000 -0.037 0.000 1.125 312 A HN 0.295 nan 8.150 nan 0.000 0.528 313 T N 0.609 115.126 114.554 -0.061 0.000 2.847 313 T HA 0.432 4.782 4.350 -0.000 0.000 0.279 313 T C 1.339 175.963 174.700 -0.125 0.000 0.984 313 T CA -0.729 61.323 62.100 -0.080 0.000 0.988 313 T CB 0.569 69.403 68.868 -0.055 0.000 1.040 313 T HN 0.353 nan 8.240 nan 0.000 0.528 314 L N 0.029 121.146 121.223 -0.175 0.000 2.127 314 L HA -0.112 4.228 4.340 -0.000 0.000 0.211 314 L C 2.983 179.746 176.870 -0.177 0.000 1.089 314 L CA 1.743 56.398 54.840 -0.308 0.000 0.757 314 L CB -0.562 41.296 42.059 -0.334 0.000 0.899 314 L HN 0.886 nan 8.230 nan 0.000 0.434 315 E N -0.018 120.140 120.200 -0.070 0.000 2.265 315 E HA -0.227 4.123 4.350 -0.000 0.000 0.196 315 E C 1.332 177.933 176.600 0.002 0.000 0.996 315 E CA 0.988 57.385 56.400 -0.005 0.000 0.832 315 E CB 0.169 29.870 29.700 0.001 0.000 0.756 315 E HN 0.485 nan 8.360 nan 0.000 0.491 316 D N 0.175 120.558 120.400 -0.028 0.000 2.234 316 D HA -0.031 4.609 4.640 -0.000 0.000 0.205 316 D C 0.554 176.857 176.300 0.005 0.000 0.962 316 D CA 0.439 54.431 54.000 -0.014 0.000 0.855 316 D CB 0.084 40.868 40.800 -0.028 0.000 0.951 316 D HN 0.231 nan 8.370 nan 0.000 0.500 317 L N 1.101 122.315 121.223 -0.016 0.000 2.380 317 L HA 0.314 4.653 4.340 -0.000 0.000 0.273 317 L C 1.355 178.346 176.870 0.202 0.000 1.138 317 L CA -0.499 54.374 54.840 0.055 0.000 0.832 317 L CB 0.930 42.942 42.059 -0.077 0.000 1.124 317 L HN -0.105 nan 8.230 nan 0.000 0.454 318 G N 1.980 110.893 108.800 0.189 0.000 2.543 318 G HA2 0.473 4.433 3.960 -0.000 0.000 0.290 318 G HA3 0.473 4.433 3.960 -0.000 0.000 0.290 318 G C -1.056 173.955 174.900 0.185 0.000 1.310 318 G CA -0.234 44.963 45.100 0.161 0.000 1.025 318 G HN 0.613 nan 8.290 nan 0.000 0.502 319 Q N -2.043 117.791 119.800 0.057 0.000 2.435 319 Q HA 0.576 4.916 4.340 -0.000 0.000 0.282 319 Q C -1.459 174.511 176.000 -0.051 0.000 1.020 319 Q CA -0.844 54.920 55.803 -0.064 0.000 0.820 319 Q CB 2.301 30.906 28.738 -0.221 0.000 1.436 319 Q HN 0.954 nan 8.270 nan 0.000 0.395 320 A N 1.731 124.506 122.820 -0.075 0.000 2.572 320 A HA 0.369 4.689 4.320 -0.000 0.000 0.295 320 A C -0.258 177.287 177.584 -0.066 0.000 1.072 320 A CA -0.542 51.465 52.037 -0.049 0.000 0.691 320 A CB 1.782 20.770 19.000 -0.020 0.000 1.291 320 A HN 0.840 nan 8.150 nan 0.000 0.404 321 K N -0.102 120.268 120.400 -0.051 0.000 2.103 321 K HA -0.075 4.245 4.320 -0.000 0.000 0.207 321 K C 0.678 177.250 176.600 -0.046 0.000 1.048 321 K CA 1.633 57.889 56.287 -0.051 0.000 0.930 321 K CB 0.046 32.524 32.500 -0.036 0.000 0.716 321 K HN 0.629 nan 8.250 nan 0.000 0.444 322 R N -0.885 119.592 120.500 -0.037 0.000 2.664 322 R HA 0.298 4.638 4.340 -0.000 0.000 0.266 322 R C -2.080 174.203 176.300 -0.028 0.000 1.046 322 R CA -0.704 55.377 56.100 -0.032 0.000 0.885 322 R CB 2.089 32.374 30.300 -0.026 0.000 1.254 322 R HN -0.084 nan 8.270 nan 0.000 0.465 323 V N 3.038 122.935 119.914 -0.028 0.000 2.686 323 V HA 0.507 4.627 4.120 -0.000 0.000 0.306 323 V C -0.974 175.101 176.094 -0.032 0.000 1.065 323 V CA -0.746 61.535 62.300 -0.032 0.000 0.894 323 V CB 2.149 33.955 31.823 -0.028 0.000 1.004 323 V HN 0.493 nan 8.190 nan 0.000 0.424 324 V N 6.187 126.075 119.914 -0.044 0.000 2.407 324 V HA 0.584 4.704 4.120 -0.000 0.000 0.291 324 V C -0.415 175.646 176.094 -0.056 0.000 1.018 324 V CA -0.339 61.943 62.300 -0.031 0.000 0.842 324 V CB 1.626 33.436 31.823 -0.021 0.000 0.996 324 V HN 0.706 nan 8.190 nan 0.000 0.426 325 I N 5.430 125.989 120.570 -0.019 0.000 2.603 325 I HA 0.647 4.817 4.170 -0.000 0.000 0.300 325 I C -0.111 176.023 176.117 0.029 0.000 1.017 325 I CA -0.393 60.888 61.300 -0.031 0.000 1.098 325 I CB 2.202 40.213 38.000 0.018 0.000 1.279 325 I HN 0.796 nan 8.210 nan 0.000 0.437 326 N N 3.292 121.918 118.700 -0.123 0.000 3.439 326 N HA 0.343 5.083 4.740 -0.000 0.000 0.343 326 N C 0.246 175.294 175.510 -0.769 0.000 1.597 326 N CA -0.759 52.180 53.050 -0.184 0.000 0.733 326 N CB 0.428 38.858 38.487 -0.097 0.000 1.973 326 N HN 0.216 nan 8.380 nan 0.000 0.646 327 K N -0.574 119.469 120.400 -0.595 0.000 2.044 327 K HA -0.112 4.208 4.320 -0.000 0.000 0.210 327 K C -0.217 176.114 176.600 -0.447 0.000 1.049 327 K CA 2.456 58.380 56.287 -0.605 0.000 0.927 327 K CB -0.530 31.853 32.500 -0.194 0.000 0.713 327 K HN 0.816 nan 8.250 nan 0.000 0.443 328 D N -1.913 118.316 120.400 -0.285 0.000 2.785 328 D HA 0.151 4.791 4.640 -0.000 0.000 0.324 328 D C -0.865 175.348 176.300 -0.145 0.000 1.523 328 D CA -0.537 53.358 54.000 -0.174 0.000 0.789 328 D CB 0.452 41.194 40.800 -0.098 0.000 1.171 328 D HN -0.139 nan 8.370 nan 0.000 0.447 329 T N -0.868 113.566 114.554 -0.200 0.000 2.942 329 T HA 0.603 4.953 4.350 -0.000 0.000 0.327 329 T C -1.009 173.515 174.700 -0.294 0.000 1.360 329 T CA -0.638 61.336 62.100 -0.209 0.000 1.055 329 T CB 2.126 70.903 68.868 -0.153 0.000 1.261 329 T HN -0.108 nan 8.240 nan 0.000 0.485 330 T N 1.817 116.075 114.554 -0.493 0.000 2.879 330 T HA 0.651 5.001 4.350 -0.000 0.000 0.290 330 T C -0.736 173.633 174.700 -0.551 0.000 0.993 330 T CA -0.514 61.235 62.100 -0.584 0.000 0.975 330 T CB 1.782 70.096 68.868 -0.923 0.000 0.981 330 T HN 0.622 nan 8.240 nan 0.000 0.439 331 T N 3.703 118.086 114.554 -0.286 0.000 2.815 331 T HA 0.558 4.908 4.350 -0.000 0.000 0.289 331 T C -0.337 174.304 174.700 -0.097 0.000 1.000 331 T CA -0.571 61.428 62.100 -0.169 0.000 0.958 331 T CB 0.052 68.860 68.868 -0.100 0.000 0.944 331 T HN 0.483 nan 8.240 nan 0.000 0.442 332 I N 7.316 127.857 120.570 -0.048 0.000 2.281 332 I HA 0.250 4.420 4.170 -0.000 0.000 0.293 332 I C 1.377 177.493 176.117 -0.002 0.000 1.085 332 I CA -0.272 61.027 61.300 -0.001 0.000 1.257 332 I CB 0.802 38.836 38.000 0.057 0.000 1.430 332 I HN 0.713 nan 8.210 nan 0.000 0.489 333 I N 3.590 124.152 120.570 -0.013 0.000 2.286 333 I HA -0.113 4.057 4.170 -0.000 0.000 0.245 333 I C 0.653 176.765 176.117 -0.009 0.000 1.104 333 I CA 1.371 62.663 61.300 -0.013 0.000 1.397 333 I CB 0.038 38.027 38.000 -0.018 0.000 1.072 333 I HN 0.566 nan 8.210 nan 0.000 0.417 334 D N 0.812 121.206 120.400 -0.011 0.000 2.364 334 D HA 0.237 4.877 4.640 -0.000 0.000 0.251 334 D C -0.147 176.146 176.300 -0.011 0.000 1.282 334 D CA -0.167 53.826 54.000 -0.011 0.000 0.927 334 D CB 0.797 41.586 40.800 -0.018 0.000 1.267 334 D HN 0.110 nan 8.370 nan 0.000 0.531 335 G N 1.059 109.859 108.800 -0.000 0.000 2.365 335 G HA2 0.221 4.181 3.960 -0.000 0.000 0.249 335 G HA3 0.221 4.181 3.960 -0.000 0.000 0.249 335 G C 1.037 175.935 174.900 -0.002 0.000 1.288 335 G CA -0.381 44.722 45.100 0.004 0.000 0.887 335 G HN 0.348 nan 8.290 nan 0.000 0.524 336 V N 3.551 123.462 119.914 -0.006 0.000 3.544 336 V HA 0.109 4.229 4.120 -0.000 0.000 0.304 336 V C 1.921 178.018 176.094 0.005 0.000 1.256 336 V CA 0.363 62.658 62.300 -0.007 0.000 1.232 336 V CB -1.103 30.709 31.823 -0.018 0.000 1.065 336 V HN 0.788 nan 8.190 nan 0.000 0.423 337 G N 0.636 109.441 108.800 0.009 0.000 2.712 337 G HA2 0.244 4.204 3.960 -0.000 0.000 0.258 337 G HA3 0.244 4.204 3.960 -0.000 0.000 0.258 337 G C -0.345 174.559 174.900 0.008 0.000 1.241 337 G CA -0.340 44.767 45.100 0.012 0.000 0.923 337 G HN 0.471 nan 8.290 nan 0.000 0.548 338 E N -0.385 119.820 120.200 0.008 0.000 2.115 338 E HA 0.249 4.599 4.350 -0.000 0.000 0.282 338 E C 0.844 177.446 176.600 0.004 0.000 0.987 338 E CA -0.487 55.916 56.400 0.006 0.000 0.797 338 E CB 1.752 31.456 29.700 0.006 0.000 1.086 338 E HN 0.576 nan 8.360 nan 0.000 0.397 339 E N 3.606 123.807 120.200 0.003 0.000 2.095 339 E HA -0.336 4.014 4.350 -0.000 0.000 0.212 339 E C 1.605 178.205 176.600 0.001 0.000 1.044 339 E CA 2.385 58.786 56.400 0.001 0.000 0.857 339 E CB -0.145 29.555 29.700 0.000 0.000 0.764 339 E HN 0.603 nan 8.360 nan 0.000 0.462 340 A N 0.287 123.107 122.820 0.001 0.000 1.933 340 A HA -0.034 4.285 4.320 -0.000 0.000 0.218 340 A C 2.424 180.008 177.584 0.000 0.000 1.175 340 A CA 2.320 54.358 52.037 0.000 0.000 0.628 340 A CB -0.983 18.017 19.000 0.000 0.000 0.814 340 A HN 0.414 nan 8.150 nan 0.000 0.444 341 A N 0.027 122.848 122.820 0.001 0.000 1.902 341 A HA -0.076 4.244 4.320 -0.000 0.000 0.217 341 A C 2.112 179.696 177.584 -0.000 0.000 1.181 341 A CA 1.513 53.551 52.037 0.001 0.000 0.623 341 A CB -0.598 18.404 19.000 0.003 0.000 0.818 341 A HN 0.499 nan 8.150 nan 0.000 0.443 342 I N -0.611 119.960 120.570 0.001 0.000 2.226 342 I HA -0.318 3.852 4.170 -0.000 0.000 0.245 342 I C 2.751 178.867 176.117 -0.001 0.000 1.100 342 I CA 1.608 62.908 61.300 0.001 0.000 1.374 342 I CB -0.464 37.537 38.000 0.003 0.000 1.057 342 I HN 0.427 nan 8.210 nan 0.000 0.413 343 Q N 0.518 120.317 119.800 -0.001 0.000 2.167 343 Q HA -0.111 4.229 4.340 -0.000 0.000 0.202 343 Q C 2.374 178.372 176.000 -0.003 0.000 0.970 343 Q CA 1.482 57.284 55.803 -0.002 0.000 0.855 343 Q CB -0.385 28.352 28.738 -0.002 0.000 0.911 343 Q HN 0.638 nan 8.270 nan 0.000 0.438 344 G N 0.859 109.657 108.800 -0.003 0.000 2.421 344 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.216 344 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.216 344 G C 1.516 176.412 174.900 -0.006 0.000 1.171 344 G CA 0.325 45.423 45.100 -0.004 0.000 0.775 344 G HN 0.066 nan 8.290 nan 0.000 0.543 345 R N 0.210 120.706 120.500 -0.007 0.000 2.073 345 R HA -0.029 4.311 4.340 -0.000 0.000 0.234 345 R C 2.827 179.120 176.300 -0.011 0.000 1.134 345 R CA 0.999 57.093 56.100 -0.010 0.000 0.952 345 R CB -1.252 29.043 30.300 -0.010 0.000 0.850 345 R HN 0.322 nan 8.270 nan 0.000 0.433 346 V N 1.228 121.137 119.914 -0.009 0.000 2.324 346 V HA -0.279 3.841 4.120 -0.000 0.000 0.250 346 V C 2.512 178.600 176.094 -0.010 0.000 1.060 346 V CA 2.014 64.308 62.300 -0.009 0.000 1.042 346 V CB -0.930 30.889 31.823 -0.007 0.000 0.650 346 V HN 0.355 nan 8.190 nan 0.000 0.450 347 A N -0.810 122.005 122.820 -0.008 0.000 1.898 347 A HA -0.275 4.045 4.320 -0.000 0.000 0.216 347 A C 2.283 179.861 177.584 -0.009 0.000 1.181 347 A CA 1.887 53.919 52.037 -0.008 0.000 0.620 347 A CB -0.549 18.447 19.000 -0.006 0.000 0.819 347 A HN 0.596 nan 8.150 nan 0.000 0.442 348 Q N -0.169 119.625 119.800 -0.010 0.000 2.061 348 Q HA -0.184 4.156 4.340 -0.000 0.000 0.204 348 Q C 1.944 177.936 176.000 -0.014 0.000 0.984 348 Q CA 2.057 57.853 55.803 -0.011 0.000 0.846 348 Q CB -0.273 28.458 28.738 -0.012 0.000 0.902 348 Q HN 0.718 nan 8.270 nan 0.000 0.421 349 I N 0.055 120.615 120.570 -0.017 0.000 2.353 349 I HA -0.221 3.949 4.170 -0.000 0.000 0.248 349 I C 2.736 178.842 176.117 -0.019 0.000 1.119 349 I CA 0.881 62.169 61.300 -0.021 0.000 1.417 349 I CB -0.418 37.567 38.000 -0.025 0.000 1.078 349 I HN 0.230 nan 8.210 nan 0.000 0.421 350 R N 1.123 121.614 120.500 -0.016 0.000 2.105 350 R HA -0.244 4.096 4.340 -0.000 0.000 0.239 350 R C 2.337 178.629 176.300 -0.012 0.000 1.135 350 R CA 1.761 57.853 56.100 -0.014 0.000 0.967 350 R CB -0.216 30.077 30.300 -0.011 0.000 0.861 350 R HN 0.436 nan 8.270 nan 0.000 0.442 351 Q N 0.328 120.121 119.800 -0.011 0.000 2.046 351 Q HA -0.213 4.127 4.340 -0.000 0.000 0.200 351 Q C 1.972 177.966 176.000 -0.010 0.000 0.975 351 Q CA 1.650 57.447 55.803 -0.009 0.000 0.836 351 Q CB 0.034 28.767 28.738 -0.008 0.000 0.896 351 Q HN 0.509 nan 8.270 nan 0.000 0.428 352 Q N 0.163 119.955 119.800 -0.013 0.000 2.135 352 Q HA -0.177 4.163 4.340 -0.000 0.000 0.204 352 Q C 2.137 178.129 176.000 -0.015 0.000 0.981 352 Q CA 1.647 57.441 55.803 -0.014 0.000 0.856 352 Q CB -0.163 28.564 28.738 -0.019 0.000 0.902 352 Q HN 0.501 nan 8.270 nan 0.000 0.425 353 I N 0.578 121.138 120.570 -0.017 0.000 2.226 353 I HA -0.231 3.939 4.170 -0.000 0.000 0.245 353 I C 2.342 178.452 176.117 -0.011 0.000 1.100 353 I CA 0.879 62.168 61.300 -0.018 0.000 1.374 353 I CB -0.312 37.676 38.000 -0.020 0.000 1.057 353 I HN 0.156 nan 8.210 nan 0.000 0.413 354 E N 1.369 121.564 120.200 -0.009 0.000 2.153 354 E HA -0.212 4.138 4.350 -0.000 0.000 0.194 354 E C 1.381 177.979 176.600 -0.004 0.000 0.988 354 E CA 1.212 57.608 56.400 -0.006 0.000 0.811 354 E CB -0.065 29.632 29.700 -0.005 0.000 0.746 354 E HN 0.694 nan 8.360 nan 0.000 0.466 355 E N -0.244 119.953 120.200 -0.004 0.000 2.423 355 E HA 0.411 4.761 4.350 -0.000 0.000 0.198 355 E C -0.017 176.582 176.600 -0.001 0.000 1.038 355 E CA -0.291 56.108 56.400 -0.002 0.000 1.011 355 E CB 0.489 30.187 29.700 -0.003 0.000 1.118 355 E HN -0.042 nan 8.360 nan 0.000 0.451 356 A N 1.171 123.990 122.820 -0.001 0.000 2.371 356 A HA 0.264 4.584 4.320 -0.000 0.000 0.257 356 A C 1.001 178.591 177.584 0.009 0.000 1.089 356 A CA -0.032 52.007 52.037 0.003 0.000 0.794 356 A CB 0.460 19.459 19.000 -0.001 0.000 1.029 356 A HN 0.329 nan 8.150 nan 0.000 0.488 357 T N -1.648 112.916 114.554 0.016 0.000 3.129 357 T HA 0.450 4.800 4.350 -0.000 0.000 0.267 357 T C 0.193 174.909 174.700 0.027 0.000 1.018 357 T CA 0.377 62.487 62.100 0.018 0.000 0.903 357 T CB -0.870 68.007 68.868 0.015 0.000 1.067 357 T HN 1.501 nan 8.240 nan 0.000 0.549 358 S N -0.829 114.893 115.700 0.037 0.000 2.567 358 S HA 0.368 4.838 4.470 -0.000 0.000 0.270 358 S C -0.433 174.204 174.600 0.062 0.000 1.152 358 S CA -0.788 57.444 58.200 0.053 0.000 0.835 358 S CB 1.303 64.547 63.200 0.074 0.000 1.115 358 S HN -0.089 nan 8.310 nan 0.000 0.459 359 D N 0.398 120.840 120.400 0.069 0.000 2.117 359 D HA -0.111 4.529 4.640 -0.000 0.000 0.197 359 D C 1.430 177.780 176.300 0.083 0.000 0.987 359 D CA 1.777 55.815 54.000 0.063 0.000 0.829 359 D CB -0.260 40.578 40.800 0.063 0.000 0.961 359 D HN 0.660 nan 8.370 nan 0.000 0.460 360 Y N 2.203 122.502 120.300 -0.001 0.000 2.128 360 Y HA -0.235 4.315 4.550 -0.000 0.000 0.284 360 Y C 1.831 177.724 175.900 -0.011 0.000 1.154 360 Y CA 1.773 59.871 58.100 -0.003 0.000 1.149 360 Y CB -0.104 38.356 38.460 -0.000 0.000 0.976 360 Y HN -0.151 nan 8.280 nan 0.000 0.505 361 D N -0.220 120.228 120.400 0.081 0.000 2.084 361 D HA -0.202 4.438 4.640 -0.000 0.000 0.194 361 D C 2.298 178.551 176.300 -0.078 0.000 0.990 361 D CA 1.605 55.596 54.000 -0.016 0.000 0.826 361 D CB -0.528 40.297 40.800 0.040 0.000 0.971 361 D HN 0.345 nan 8.370 nan 0.000 0.453 362 R N 0.996 121.473 120.500 -0.039 0.000 2.094 362 R HA -0.189 4.151 4.340 -0.000 0.000 0.239 362 R C 1.986 178.242 176.300 -0.073 0.000 1.137 362 R CA 1.664 57.738 56.100 -0.043 0.000 0.943 362 R CB -0.072 30.218 30.300 -0.018 0.000 0.850 362 R HN 0.227 nan 8.270 nan 0.000 0.433 363 E N 0.645 120.790 120.200 -0.092 0.000 2.021 363 E HA -0.276 4.074 4.350 -0.000 0.000 0.200 363 E C 2.030 178.540 176.600 -0.150 0.000 1.015 363 E CA 2.303 58.637 56.400 -0.110 0.000 0.824 363 E CB -0.178 29.451 29.700 -0.118 0.000 0.762 363 E HN 0.525 nan 8.360 nan 0.000 0.454 364 K N 0.769 121.016 120.400 -0.256 0.000 2.103 364 K HA -0.145 4.175 4.320 -0.000 0.000 0.207 364 K C 2.153 178.661 176.600 -0.153 0.000 1.048 364 K CA 1.129 57.268 56.287 -0.247 0.000 0.930 364 K CB -0.176 32.088 32.500 -0.393 0.000 0.716 364 K HN 0.030 nan 8.250 nan 0.000 0.444 365 L N 2.443 123.588 121.223 -0.130 0.000 2.017 365 L HA -0.185 4.155 4.340 -0.000 0.000 0.208 365 L C 2.802 179.634 176.870 -0.064 0.000 1.073 365 L CA 2.155 56.945 54.840 -0.084 0.000 0.745 365 L CB -1.258 40.762 42.059 -0.065 0.000 0.894 365 L HN 0.555 nan 8.230 nan 0.000 0.432 366 Q N -1.080 118.685 119.800 -0.059 0.000 2.369 366 Q HA -0.153 4.187 4.340 -0.000 0.000 0.206 366 Q C 1.531 177.508 176.000 -0.039 0.000 0.963 366 Q CA 0.863 56.642 55.803 -0.042 0.000 0.894 366 Q CB -0.217 28.502 28.738 -0.033 0.000 0.965 366 Q HN 0.532 nan 8.270 nan 0.000 0.475 367 E N 1.231 121.400 120.200 -0.051 0.000 2.152 367 E HA -0.093 4.257 4.350 -0.000 0.000 0.192 367 E C 2.030 178.612 176.600 -0.030 0.000 0.983 367 E CA 0.630 57.007 56.400 -0.039 0.000 0.818 367 E CB 0.110 29.779 29.700 -0.052 0.000 0.758 367 E HN 0.370 nan 8.360 nan 0.000 0.467 368 R N 0.431 120.906 120.500 -0.042 0.000 2.062 368 R HA -0.099 4.241 4.340 -0.000 0.000 0.229 368 R C 2.709 178.995 176.300 -0.022 0.000 1.128 368 R CA 1.425 57.504 56.100 -0.035 0.000 0.960 368 R CB -0.492 29.778 30.300 -0.050 0.000 0.855 368 R HN 0.166 nan 8.270 nan 0.000 0.432 369 V N -1.331 118.569 119.914 -0.024 0.000 2.490 369 V HA -0.087 4.033 4.120 -0.000 0.000 0.250 369 V C 2.221 178.309 176.094 -0.009 0.000 1.061 369 V CA 1.730 64.020 62.300 -0.016 0.000 1.064 369 V CB -0.860 30.952 31.823 -0.017 0.000 0.670 369 V HN 0.259 nan 8.190 nan 0.000 0.461 370 A N 0.720 123.534 122.820 -0.010 0.000 1.902 370 A HA -0.169 4.151 4.320 -0.000 0.000 0.217 370 A C 2.333 179.920 177.584 0.004 0.000 1.181 370 A CA 2.172 54.207 52.037 -0.003 0.000 0.623 370 A CB -0.552 18.446 19.000 -0.004 0.000 0.818 370 A HN 0.627 nan 8.150 nan 0.000 0.443 371 K N -0.527 119.878 120.400 0.008 0.000 2.002 371 K HA -0.024 4.296 4.320 -0.000 0.000 0.209 371 K C 1.985 178.597 176.600 0.020 0.000 1.048 371 K CA 1.357 57.657 56.287 0.022 0.000 0.930 371 K CB -0.392 32.129 32.500 0.035 0.000 0.714 371 K HN 0.436 nan 8.250 nan 0.000 0.438 372 L N 0.459 121.689 121.223 0.011 0.000 1.988 372 L HA -0.158 4.182 4.340 -0.000 0.000 0.207 372 L C 2.489 179.363 176.870 0.007 0.000 1.071 372 L CA 1.244 56.089 54.840 0.009 0.000 0.744 372 L CB -0.457 41.603 42.059 0.001 0.000 0.893 372 L HN 0.219 nan 8.230 nan 0.000 0.433 373 A N -0.408 122.413 122.820 0.002 0.000 2.168 373 A HA -0.013 4.307 4.320 -0.000 0.000 0.215 373 A C 2.200 179.786 177.584 0.002 0.000 1.152 373 A CA 1.228 53.266 52.037 0.001 0.000 0.716 373 A CB -0.809 18.190 19.000 -0.002 0.000 0.794 373 A HN 0.493 nan 8.150 nan 0.000 0.465 374 G N -0.576 108.227 108.800 0.005 0.000 2.404 374 G HA2 0.380 4.340 3.960 -0.000 0.000 0.213 374 G HA3 0.380 4.340 3.960 -0.000 0.000 0.213 374 G C 1.110 176.013 174.900 0.005 0.000 1.189 374 G CA 0.658 45.761 45.100 0.005 0.000 0.796 374 G HN 1.707 nan 8.290 nan 0.000 0.532 375 G N -1.837 106.968 108.800 0.008 0.000 2.796 375 G HA2 0.076 4.036 3.960 -0.000 0.000 0.571 375 G HA3 0.076 4.036 3.960 -0.000 0.000 0.571 375 G C -0.753 174.150 174.900 0.005 0.000 1.370 375 G CA -0.381 44.723 45.100 0.007 0.000 0.856 375 G HN 1.014 nan 8.290 nan 0.000 0.538 376 V N 0.472 120.387 119.914 0.002 0.000 2.495 376 V HA 0.751 4.871 4.120 -0.000 0.000 0.298 376 V C 0.817 176.908 176.094 -0.005 0.000 1.031 376 V CA -0.079 62.220 62.300 -0.001 0.000 0.871 376 V CB 1.506 33.327 31.823 -0.003 0.000 0.988 376 V HN 2.066 nan 8.190 nan 0.000 0.432 377 A N 4.760 127.576 122.820 -0.007 0.000 2.269 377 A HA 0.693 5.013 4.320 -0.000 0.000 0.302 377 A C -0.419 177.157 177.584 -0.013 0.000 1.266 377 A CA -0.332 51.699 52.037 -0.010 0.000 0.894 377 A CB 0.479 19.473 19.000 -0.010 0.000 1.147 377 A HN 0.699 nan 8.150 nan 0.000 0.537 378 V N 5.094 125.000 119.914 -0.014 0.000 2.370 378 V HA 0.281 4.401 4.120 -0.000 0.000 0.279 378 V C 0.054 176.137 176.094 -0.018 0.000 1.029 378 V CA -0.137 62.153 62.300 -0.016 0.000 0.870 378 V CB 0.935 32.749 31.823 -0.015 0.000 0.984 378 V HN 0.729 nan 8.190 nan 0.000 0.451 379 I N 5.871 126.428 120.570 -0.022 0.000 2.331 379 I HA 0.409 4.579 4.170 -0.000 0.000 0.292 379 I C 0.076 176.180 176.117 -0.021 0.000 0.998 379 I CA -0.575 60.711 61.300 -0.023 0.000 1.267 379 I CB 1.157 39.140 38.000 -0.030 0.000 1.386 379 I HN 0.412 nan 8.210 nan 0.000 0.476 380 K N 6.677 127.066 120.400 -0.018 0.000 2.389 380 K HA 0.350 4.670 4.320 -0.000 0.000 0.261 380 K C -0.785 175.806 176.600 -0.016 0.000 1.014 380 K CA -0.653 55.624 56.287 -0.017 0.000 0.920 380 K CB 1.829 34.321 32.500 -0.014 0.000 1.149 380 K HN 0.303 nan 8.250 nan 0.000 0.444 381 V N 2.805 122.708 119.914 -0.017 0.000 2.397 381 V HA 0.145 4.265 4.120 -0.000 0.000 0.262 381 V C 1.054 177.140 176.094 -0.013 0.000 1.047 381 V CA -0.321 61.969 62.300 -0.017 0.000 1.003 381 V CB 0.417 32.229 31.823 -0.019 0.000 1.037 381 V HN 0.781 nan 8.190 nan 0.000 0.480 382 G N 3.419 112.212 108.800 -0.012 0.000 2.462 382 G HA2 0.823 4.782 3.960 -0.000 0.000 0.319 382 G HA3 0.823 4.782 3.960 -0.000 0.000 0.319 382 G C -0.385 174.509 174.900 -0.009 0.000 1.171 382 G CA 0.179 45.273 45.100 -0.010 0.000 0.920 382 G HN 1.164 nan 8.290 nan 0.000 0.499 383 A N -0.954 121.861 122.820 -0.008 0.000 2.511 383 A HA 0.770 5.090 4.320 -0.000 0.000 0.293 383 A C 0.783 178.363 177.584 -0.006 0.000 1.098 383 A CA 0.444 52.477 52.037 -0.007 0.000 0.643 383 A CB 0.334 19.330 19.000 -0.007 0.000 1.302 383 A HN 1.786 nan 8.150 nan 0.000 0.446 384 A N -0.676 122.141 122.820 -0.006 0.000 1.975 384 A HA 0.451 4.771 4.320 -0.000 0.000 0.215 384 A C 1.223 178.804 177.584 -0.004 0.000 1.170 384 A CA 2.268 54.302 52.037 -0.005 0.000 0.656 384 A CB -0.512 18.485 19.000 -0.004 0.000 0.821 384 A HN 2.163 nan 8.150 nan 0.000 0.449 385 T N -4.390 110.161 114.554 -0.004 0.000 2.906 385 T HA 0.462 4.812 4.350 -0.000 0.000 0.295 385 T C 0.371 175.069 174.700 -0.004 0.000 1.061 385 T CA 0.033 62.131 62.100 -0.004 0.000 1.000 385 T CB 1.905 70.771 68.868 -0.003 0.000 1.103 385 T HN 0.230 nan 8.240 nan 0.000 0.486 386 E N 0.532 120.730 120.200 -0.003 0.000 2.160 386 E HA -0.135 4.215 4.350 -0.000 0.000 0.195 386 E C 1.712 178.311 176.600 -0.003 0.000 0.991 386 E CA 1.326 57.724 56.400 -0.003 0.000 0.810 386 E CB -0.148 29.551 29.700 -0.002 0.000 0.742 386 E HN 0.577 nan 8.360 nan 0.000 0.466 387 V N 1.034 120.947 119.914 -0.002 0.000 2.270 387 V HA -0.243 3.877 4.120 -0.000 0.000 0.245 387 V C 2.090 178.182 176.094 -0.003 0.000 1.043 387 V CA 2.160 64.459 62.300 -0.002 0.000 1.014 387 V CB -0.639 31.183 31.823 -0.001 0.000 0.645 387 V HN 0.262 nan 8.190 nan 0.000 0.447 388 E N -0.144 120.054 120.200 -0.004 0.000 2.058 388 E HA -0.275 4.075 4.350 -0.000 0.000 0.194 388 E C 2.236 178.832 176.600 -0.006 0.000 0.997 388 E CA 1.710 58.107 56.400 -0.005 0.000 0.801 388 E CB -0.315 29.381 29.700 -0.005 0.000 0.746 388 E HN 0.421 nan 8.360 nan 0.000 0.450 389 M N 1.158 120.754 119.600 -0.007 0.000 2.073 389 M HA -0.217 4.263 4.480 -0.000 0.000 0.258 389 M C 1.688 177.983 176.300 -0.008 0.000 1.070 389 M CA 1.701 56.997 55.300 -0.008 0.000 1.103 389 M CB -0.245 32.350 32.600 -0.007 0.000 1.321 389 M HN -0.110 nan 8.290 nan 0.000 0.405 390 K N 0.586 120.982 120.400 -0.007 0.000 2.097 390 K HA -0.120 4.200 4.320 -0.000 0.000 0.206 390 K C 1.885 178.481 176.600 -0.007 0.000 1.049 390 K CA 1.516 57.799 56.287 -0.006 0.000 0.933 390 K CB -0.512 31.985 32.500 -0.004 0.000 0.717 390 K HN 0.597 nan 8.250 nan 0.000 0.442 391 E N 0.556 120.752 120.200 -0.006 0.000 2.046 391 E HA -0.137 4.213 4.350 -0.000 0.000 0.190 391 E C 2.095 178.690 176.600 -0.009 0.000 0.982 391 E CA 0.857 57.253 56.400 -0.006 0.000 0.800 391 E CB -0.021 29.676 29.700 -0.005 0.000 0.756 391 E HN 0.219 nan 8.360 nan 0.000 0.449 392 K N 1.770 122.164 120.400 -0.010 0.000 2.057 392 K HA -0.216 4.103 4.320 -0.000 0.000 0.207 392 K C 2.190 178.779 176.600 -0.017 0.000 1.049 392 K CA 1.374 57.653 56.287 -0.013 0.000 0.931 392 K CB 0.008 32.500 32.500 -0.013 0.000 0.714 392 K HN -0.110 nan 8.250 nan 0.000 0.440 393 K N 0.198 120.588 120.400 -0.017 0.000 2.074 393 K HA -0.181 4.138 4.320 -0.000 0.000 0.209 393 K C 1.941 178.527 176.600 -0.023 0.000 1.048 393 K CA 1.417 57.691 56.287 -0.021 0.000 0.926 393 K CB -0.219 32.271 32.500 -0.016 0.000 0.713 393 K HN 0.248 nan 8.250 nan 0.000 0.444 394 A N 1.393 124.204 122.820 -0.015 0.000 1.877 394 A HA -0.160 4.160 4.320 -0.000 0.000 0.216 394 A C 2.115 179.689 177.584 -0.016 0.000 1.186 394 A CA 1.454 53.485 52.037 -0.010 0.000 0.620 394 A CB -0.500 18.498 19.000 -0.003 0.000 0.822 394 A HN 0.331 nan 8.150 nan 0.000 0.443 395 R N -0.699 119.791 120.500 -0.017 0.000 2.091 395 R HA -0.108 4.232 4.340 -0.000 0.000 0.238 395 R C 2.063 178.341 176.300 -0.035 0.000 1.136 395 R CA 1.565 57.653 56.100 -0.020 0.000 0.959 395 R CB -0.575 29.715 30.300 -0.017 0.000 0.856 395 R HN 0.414 nan 8.270 nan 0.000 0.437 396 V N 1.294 121.182 119.914 -0.043 0.000 2.343 396 V HA -0.235 3.885 4.120 -0.000 0.000 0.247 396 V C 1.974 178.004 176.094 -0.107 0.000 1.051 396 V CA 1.846 64.108 62.300 -0.062 0.000 1.036 396 V CB -0.437 31.354 31.823 -0.054 0.000 0.654 396 V HN 0.382 nan 8.190 nan 0.000 0.451 397 E N -0.090 120.044 120.200 -0.111 0.000 2.077 397 E HA -0.225 4.125 4.350 -0.000 0.000 0.193 397 E C 1.957 178.399 176.600 -0.264 0.000 0.989 397 E CA 1.471 57.751 56.400 -0.200 0.000 0.800 397 E CB -0.204 29.443 29.700 -0.088 0.000 0.746 397 E HN 0.602 nan 8.360 nan 0.000 0.452 398 D N 0.671 121.021 120.400 -0.082 0.000 2.084 398 D HA -0.119 4.521 4.640 -0.000 0.000 0.196 398 D C 1.982 178.265 176.300 -0.028 0.000 0.985 398 D CA 1.429 55.429 54.000 0.000 0.000 0.826 398 D CB -0.422 40.390 40.800 0.020 0.000 0.978 398 D HN 0.150 nan 8.370 nan 0.000 0.456 399 A N 0.838 123.629 122.820 -0.049 0.000 1.940 399 A HA -0.171 4.149 4.320 -0.000 0.000 0.219 399 A C 2.160 179.708 177.584 -0.060 0.000 1.176 399 A CA 1.145 53.159 52.037 -0.039 0.000 0.631 399 A CB -0.768 18.210 19.000 -0.037 0.000 0.814 399 A HN 0.238 nan 8.150 nan 0.000 0.446 400 L N -0.412 120.729 121.223 -0.136 0.000 2.042 400 L HA -0.191 4.149 4.340 -0.000 0.000 0.210 400 L C 2.234 179.036 176.870 -0.113 0.000 1.076 400 L CA 2.534 57.277 54.840 -0.162 0.000 0.749 400 L CB -0.945 40.956 42.059 -0.264 0.000 0.893 400 L HN 0.603 nan 8.230 nan 0.000 0.432 401 H N -1.292 117.775 119.070 -0.004 0.000 2.357 401 H HA 0.009 4.565 4.556 -0.000 0.000 0.301 401 H C 2.169 177.497 175.328 0.000 0.000 1.082 401 H CA 0.918 56.965 56.048 -0.003 0.000 1.342 401 H CB -0.114 29.646 29.762 -0.003 0.000 1.389 401 H HN 0.502 nan 8.280 nan 0.000 0.511 402 A N 0.412 123.298 122.820 0.109 0.000 1.902 402 A HA -0.194 4.125 4.320 -0.000 0.000 0.217 402 A C 2.334 179.943 177.584 0.042 0.000 1.181 402 A CA 2.107 54.181 52.037 0.063 0.000 0.623 402 A CB -0.910 18.114 19.000 0.039 0.000 0.818 402 A HN 0.376 nan 8.150 nan 0.000 0.443 403 T N -0.691 113.878 114.554 0.026 0.000 2.777 403 T HA -0.114 4.236 4.350 -0.000 0.000 0.266 403 T C 2.105 176.819 174.700 0.023 0.000 1.040 403 T CA 1.593 63.702 62.100 0.016 0.000 1.141 403 T CB -0.220 68.648 68.868 -0.000 0.000 0.868 403 T HN 0.500 nan 8.240 nan 0.000 0.444 404 R N 2.106 122.627 120.500 0.034 0.000 2.081 404 R HA 0.086 4.426 4.340 -0.000 0.000 0.235 404 R C 2.316 178.639 176.300 0.039 0.000 1.131 404 R CA 1.810 57.933 56.100 0.039 0.000 0.960 404 R CB -1.059 29.277 30.300 0.061 0.000 0.856 404 R HN 0.335 nan 8.270 nan 0.000 0.436 405 A N 0.076 122.924 122.820 0.047 0.000 1.972 405 A HA 0.026 4.346 4.320 -0.000 0.000 0.219 405 A C 2.345 179.946 177.584 0.028 0.000 1.169 405 A CA 1.644 53.704 52.037 0.038 0.000 0.635 405 A CB -0.901 18.125 19.000 0.042 0.000 0.810 405 A HN 0.491 nan 8.150 nan 0.000 0.446 406 A N -0.011 122.825 122.820 0.026 0.000 1.898 406 A HA 0.036 4.355 4.320 -0.000 0.000 0.216 406 A C 2.315 179.909 177.584 0.017 0.000 1.181 406 A CA 1.934 53.983 52.037 0.020 0.000 0.620 406 A CB -1.165 17.846 19.000 0.017 0.000 0.819 406 A HN 1.137 nan 8.150 nan 0.000 0.442 407 V N -1.882 118.042 119.914 0.016 0.000 2.515 407 V HA -0.214 3.906 4.120 -0.000 0.000 0.250 407 V C 1.851 177.953 176.094 0.014 0.000 1.058 407 V CA 2.297 64.605 62.300 0.014 0.000 1.064 407 V CB -0.985 30.845 31.823 0.012 0.000 0.675 407 V HN 0.598 nan 8.190 nan 0.000 0.461 408 E N 0.664 120.874 120.200 0.017 0.000 2.047 408 E HA -0.140 4.210 4.350 -0.000 0.000 0.191 408 E C 1.741 178.349 176.600 0.014 0.000 0.987 408 E CA 1.793 58.202 56.400 0.016 0.000 0.799 408 E CB -0.046 29.666 29.700 0.019 0.000 0.752 408 E HN 0.780 nan 8.360 nan 0.000 0.449 409 E N -0.931 119.278 120.200 0.015 0.000 2.715 409 E HA 0.246 4.595 4.350 -0.000 0.000 0.224 409 E C 0.099 176.706 176.600 0.013 0.000 0.962 409 E CA 0.097 56.505 56.400 0.013 0.000 1.145 409 E CB 1.722 31.430 29.700 0.013 0.000 1.083 409 E HN 0.242 nan 8.360 nan 0.000 0.506 410 G N 0.566 109.375 108.800 0.014 0.000 2.582 410 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.222 410 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.222 410 G C -1.058 173.850 174.900 0.015 0.000 1.311 410 G CA -0.423 44.685 45.100 0.013 0.000 0.915 410 G HN 0.130 nan 8.290 nan 0.000 0.528 411 V N -0.287 119.636 119.914 0.015 0.000 3.007 411 V HA 0.833 4.953 4.120 -0.000 0.000 0.311 411 V C 0.119 176.223 176.094 0.016 0.000 1.120 411 V CA 0.216 62.525 62.300 0.015 0.000 0.980 411 V CB 1.988 33.819 31.823 0.014 0.000 1.033 411 V HN 2.112 nan 8.190 nan 0.000 0.429 412 V N 1.902 121.826 119.914 0.017 0.000 3.130 412 V HA 0.957 5.076 4.120 -0.000 0.000 0.310 412 V C 0.125 176.229 176.094 0.018 0.000 1.158 412 V CA -0.842 61.469 62.300 0.019 0.000 1.029 412 V CB 1.618 33.452 31.823 0.019 0.000 1.057 412 V HN 1.519 nan 8.190 nan 0.000 0.436 413 A N 1.499 124.332 122.820 0.021 0.000 2.553 413 A HA 0.544 4.864 4.320 -0.000 0.000 0.258 413 A C 0.968 178.561 177.584 0.014 0.000 1.069 413 A CA 0.828 52.876 52.037 0.019 0.000 0.767 413 A CB -0.883 18.133 19.000 0.026 0.000 0.997 413 A HN 1.988 nan 8.150 nan 0.000 0.512 414 G N 1.191 109.995 108.800 0.007 0.000 2.494 414 G HA2 0.525 4.485 3.960 -0.000 0.000 0.270 414 G HA3 0.525 4.485 3.960 -0.000 0.000 0.270 414 G C 1.187 176.090 174.900 0.004 0.000 1.423 414 G CA -0.063 45.040 45.100 0.006 0.000 1.055 414 G HN 2.261 nan 8.290 nan 0.000 0.536 415 G N -2.206 106.597 108.800 0.005 0.000 2.179 415 G HA2 0.225 4.185 3.960 -0.000 0.000 0.257 415 G HA3 0.225 4.185 3.960 -0.000 0.000 0.257 415 G C 1.454 176.365 174.900 0.018 0.000 1.010 415 G CA 1.109 46.215 45.100 0.010 0.000 0.736 415 G HN 2.490 nan 8.290 nan 0.000 0.513 416 G N -2.823 105.987 108.800 0.016 0.000 2.153 416 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.252 416 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.252 416 G C 1.170 176.081 174.900 0.018 0.000 0.994 416 G CA 1.069 46.179 45.100 0.016 0.000 0.698 416 G HN 1.482 nan 8.290 nan 0.000 0.521 417 V N -0.003 119.923 119.914 0.019 0.000 2.599 417 V HA 0.178 4.298 4.120 -0.000 0.000 0.245 417 V C 3.074 179.185 176.094 0.029 0.000 1.046 417 V CA 2.360 64.674 62.300 0.023 0.000 1.065 417 V CB -0.589 31.244 31.823 0.016 0.000 0.703 417 V HN 0.778 nan 8.190 nan 0.000 0.464 418 A N 0.270 123.105 122.820 0.026 0.000 1.883 418 A HA -0.176 4.144 4.320 -0.000 0.000 0.217 418 A C 2.221 179.821 177.584 0.025 0.000 1.186 418 A CA 1.848 53.901 52.037 0.027 0.000 0.624 418 A CB -0.574 18.439 19.000 0.023 0.000 0.822 418 A HN 0.478 nan 8.150 nan 0.000 0.444 419 L N -1.014 120.223 121.223 0.022 0.000 2.046 419 L HA -0.113 4.226 4.340 -0.000 0.000 0.208 419 L C 2.492 179.375 176.870 0.022 0.000 1.077 419 L CA 1.377 56.229 54.840 0.020 0.000 0.747 419 L CB -0.321 41.749 42.059 0.018 0.000 0.896 419 L HN 0.477 nan 8.230 nan 0.000 0.432 420 I N -0.638 119.946 120.570 0.024 0.000 2.676 420 I HA -0.243 3.927 4.170 -0.000 0.000 0.259 420 I C 2.647 178.785 176.117 0.035 0.000 1.194 420 I CA 0.581 61.898 61.300 0.027 0.000 1.473 420 I CB 0.064 38.080 38.000 0.027 0.000 1.096 420 I HN 0.187 nan 8.210 nan 0.000 0.443 421 R N 0.660 121.183 120.500 0.038 0.000 2.056 421 R HA -0.134 4.206 4.340 -0.000 0.000 0.227 421 R C 2.286 178.607 176.300 0.035 0.000 1.149 421 R CA 2.360 58.487 56.100 0.046 0.000 0.937 421 R CB -0.866 29.464 30.300 0.050 0.000 0.835 421 R HN 0.341 nan 8.270 nan 0.000 0.430 422 V N -0.759 119.172 119.914 0.028 0.000 2.469 422 V HA -0.137 3.983 4.120 -0.000 0.000 0.251 422 V C 2.109 178.215 176.094 0.019 0.000 1.064 422 V CA 1.940 64.253 62.300 0.022 0.000 1.066 422 V CB -1.292 30.542 31.823 0.018 0.000 0.667 422 V HN 0.385 nan 8.190 nan 0.000 0.461 423 A N 1.674 124.507 122.820 0.020 0.000 1.898 423 A HA -0.128 4.192 4.320 -0.000 0.000 0.216 423 A C 2.563 180.158 177.584 0.019 0.000 1.181 423 A CA 2.375 54.423 52.037 0.017 0.000 0.620 423 A CB -1.044 17.966 19.000 0.017 0.000 0.819 423 A HN 0.954 nan 8.150 nan 0.000 0.442 424 S N 0.186 115.900 115.700 0.024 0.000 2.419 424 S HA -0.155 4.315 4.470 -0.000 0.000 0.233 424 S C 1.730 176.342 174.600 0.020 0.000 1.016 424 S CA 1.396 59.610 58.200 0.024 0.000 0.974 424 S CB -0.280 62.940 63.200 0.033 0.000 0.786 424 S HN 0.645 nan 8.310 nan 0.000 0.492 425 K N 1.397 121.809 120.400 0.020 0.000 2.031 425 K HA 0.173 4.493 4.320 -0.000 0.000 0.205 425 K C 1.394 178.002 176.600 0.012 0.000 1.049 425 K CA 0.930 57.227 56.287 0.016 0.000 0.939 425 K CB -0.447 32.063 32.500 0.017 0.000 0.717 425 K HN 0.356 nan 8.250 nan 0.000 0.438 426 L N 1.337 122.568 121.223 0.012 0.000 2.762 426 L HA 0.046 4.386 4.340 -0.000 0.000 0.250 426 L C 1.758 178.633 176.870 0.008 0.000 1.160 426 L CA -0.345 54.501 54.840 0.009 0.000 0.951 426 L CB -0.644 41.420 42.059 0.008 0.000 1.148 426 L HN 0.170 nan 8.230 nan 0.000 0.424 427 A N -0.491 122.334 122.820 0.009 0.000 2.121 427 A HA -0.127 4.193 4.320 -0.000 0.000 0.218 427 A C 1.593 179.181 177.584 0.006 0.000 1.154 427 A CA 1.116 53.158 52.037 0.008 0.000 0.679 427 A CB -0.130 18.875 19.000 0.008 0.000 0.795 427 A HN 0.368 nan 8.150 nan 0.000 0.458 428 D N -1.062 119.341 120.400 0.006 0.000 2.369 428 D HA 0.147 4.786 4.640 -0.000 0.000 0.211 428 D C 0.112 176.415 176.300 0.004 0.000 1.077 428 D CA -0.241 53.762 54.000 0.004 0.000 0.842 428 D CB 0.128 40.930 40.800 0.004 0.000 0.947 428 D HN 0.323 nan 8.370 nan 0.000 0.509 429 L N 1.900 123.125 121.223 0.004 0.000 2.490 429 L HA 0.089 4.429 4.340 -0.000 0.000 0.274 429 L C 0.240 177.112 176.870 0.003 0.000 1.201 429 L CA 0.658 55.500 54.840 0.004 0.000 0.869 429 L CB 0.159 42.221 42.059 0.004 0.000 1.123 429 L HN -0.198 nan 8.230 nan 0.000 0.484 430 R N 2.852 123.354 120.500 0.003 0.000 2.869 430 R HA 0.807 5.147 4.340 -0.000 0.000 0.263 430 R C -0.429 175.873 176.300 0.002 0.000 1.066 430 R CA -0.445 55.656 56.100 0.002 0.000 0.960 430 R CB 1.269 31.571 30.300 0.002 0.000 1.221 430 R HN 0.792 nan 8.270 nan 0.000 0.474 431 G N -0.683 108.118 108.800 0.002 0.000 3.022 431 G HA2 0.264 4.224 3.960 -0.000 0.000 0.284 431 G HA3 0.264 4.224 3.960 -0.000 0.000 0.284 431 G C -0.078 174.823 174.900 0.002 0.000 1.375 431 G CA -0.442 44.659 45.100 0.002 0.000 0.902 431 G HN 0.376 nan 8.290 nan 0.000 0.538 432 Q N -0.680 119.121 119.800 0.002 0.000 2.308 432 Q HA -0.066 4.274 4.340 -0.000 0.000 0.209 432 Q C 0.418 176.419 176.000 0.002 0.000 0.985 432 Q CA 1.727 57.531 55.803 0.002 0.000 0.881 432 Q CB -0.206 28.532 28.738 0.002 0.000 0.917 432 Q HN 0.623 nan 8.270 nan 0.000 0.443 433 N N -3.036 115.665 118.700 0.002 0.000 3.227 433 N HA 0.024 4.763 4.740 -0.000 0.000 0.241 433 N C -0.245 175.266 175.510 0.002 0.000 1.480 433 N CA -0.543 52.508 53.050 0.002 0.000 0.886 433 N CB 0.421 38.909 38.487 0.002 0.000 1.406 433 N HN -0.249 nan 8.380 nan 0.000 0.514 434 E N -0.233 119.968 120.200 0.002 0.000 2.085 434 E HA -0.156 4.194 4.350 -0.000 0.000 0.194 434 E C 0.503 177.105 176.600 0.003 0.000 0.994 434 E CA 1.849 58.251 56.400 0.002 0.000 0.801 434 E CB -0.340 29.361 29.700 0.002 0.000 0.743 434 E HN 0.590 nan 8.360 nan 0.000 0.453 435 D N 0.156 120.557 120.400 0.003 0.000 2.104 435 D HA -0.168 4.472 4.640 -0.000 0.000 0.194 435 D C 1.940 178.242 176.300 0.004 0.000 0.994 435 D CA 1.134 55.136 54.000 0.003 0.000 0.830 435 D CB -0.304 40.499 40.800 0.004 0.000 0.959 435 D HN 0.384 nan 8.370 nan 0.000 0.452 436 Q N 0.150 119.952 119.800 0.003 0.000 2.181 436 Q HA -0.136 4.203 4.340 -0.000 0.000 0.205 436 Q C 1.811 177.813 176.000 0.003 0.000 0.980 436 Q CA 0.932 56.737 55.803 0.003 0.000 0.862 436 Q CB -0.292 28.448 28.738 0.003 0.000 0.905 436 Q HN 0.470 nan 8.270 nan 0.000 0.429 437 N N 0.164 118.866 118.700 0.003 0.000 2.080 437 N HA -0.138 4.602 4.740 -0.000 0.000 0.189 437 N C 2.010 177.522 175.510 0.004 0.000 1.036 437 N CA 1.244 54.296 53.050 0.003 0.000 0.846 437 N CB -0.108 38.380 38.487 0.003 0.000 1.015 437 N HN 0.131 nan 8.380 nan 0.000 0.423 438 V N 0.247 120.163 119.914 0.004 0.000 2.594 438 V HA -0.028 4.092 4.120 -0.000 0.000 0.253 438 V C 1.965 178.062 176.094 0.005 0.000 1.069 438 V CA 2.127 64.429 62.300 0.004 0.000 1.082 438 V CB -1.154 30.672 31.823 0.004 0.000 0.680 438 V HN 0.286 nan 8.190 nan 0.000 0.469 439 G N 0.377 109.180 108.800 0.005 0.000 2.421 439 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.216 439 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.216 439 G C 1.550 176.453 174.900 0.005 0.000 1.171 439 G CA 1.319 46.422 45.100 0.005 0.000 0.775 439 G HN 0.566 nan 8.290 nan 0.000 0.543 440 I N 0.327 120.900 120.570 0.004 0.000 2.179 440 I HA -0.152 4.018 4.170 -0.000 0.000 0.242 440 I C 2.745 178.865 176.117 0.005 0.000 1.088 440 I CA 1.042 62.344 61.300 0.004 0.000 1.357 440 I CB -0.113 37.889 38.000 0.004 0.000 1.051 440 I HN 0.003 nan 8.210 nan 0.000 0.409 441 K N 0.599 121.002 120.400 0.005 0.000 2.057 441 K HA -0.099 4.220 4.320 -0.000 0.000 0.207 441 K C 2.136 178.740 176.600 0.006 0.000 1.049 441 K CA 1.016 57.306 56.287 0.006 0.000 0.931 441 K CB -0.885 31.618 32.500 0.005 0.000 0.714 441 K HN 0.195 nan 8.250 nan 0.000 0.440 442 V N 1.702 121.620 119.914 0.006 0.000 2.282 442 V HA -0.301 3.819 4.120 -0.000 0.000 0.249 442 V C 2.467 178.565 176.094 0.008 0.000 1.057 442 V CA 2.182 64.486 62.300 0.007 0.000 1.032 442 V CB -0.825 31.002 31.823 0.007 0.000 0.645 442 V HN 0.334 nan 8.190 nan 0.000 0.447 443 A N -0.518 122.306 122.820 0.007 0.000 1.898 443 A HA -0.122 4.198 4.320 -0.000 0.000 0.216 443 A C 2.192 179.781 177.584 0.008 0.000 1.181 443 A CA 1.706 53.747 52.037 0.008 0.000 0.620 443 A CB -0.500 18.504 19.000 0.006 0.000 0.819 443 A HN 0.506 nan 8.150 nan 0.000 0.442 444 L N -1.064 120.164 121.223 0.008 0.000 2.046 444 L HA -0.185 4.155 4.340 -0.000 0.000 0.208 444 L C 2.815 179.691 176.870 0.009 0.000 1.077 444 L CA 1.867 56.712 54.840 0.009 0.000 0.747 444 L CB -0.529 41.535 42.059 0.009 0.000 0.896 444 L HN 0.461 nan 8.230 nan 0.000 0.432 445 R N 0.451 120.956 120.500 0.008 0.000 2.115 445 R HA -0.133 4.207 4.340 -0.000 0.000 0.230 445 R C 2.288 178.593 176.300 0.008 0.000 1.111 445 R CA 1.230 57.334 56.100 0.008 0.000 0.976 445 R CB -0.156 30.148 30.300 0.006 0.000 0.870 445 R HN 0.333 nan 8.270 nan 0.000 0.445 446 A N 0.724 123.549 122.820 0.009 0.000 2.015 446 A HA -0.115 4.205 4.320 -0.000 0.000 0.219 446 A C 2.046 179.637 177.584 0.011 0.000 1.163 446 A CA 1.167 53.210 52.037 0.010 0.000 0.646 446 A CB -0.339 18.668 19.000 0.011 0.000 0.806 446 A HN 0.348 nan 8.150 nan 0.000 0.448 447 M N -0.587 119.020 119.600 0.011 0.000 2.549 447 M HA -0.100 4.380 4.480 -0.000 0.000 0.260 447 M C 1.246 177.553 176.300 0.012 0.000 1.076 447 M CA 1.007 56.315 55.300 0.013 0.000 1.090 447 M CB -0.208 32.400 32.600 0.013 0.000 1.418 447 M HN 0.469 nan 8.290 nan 0.000 0.486 448 E N 0.035 120.241 120.200 0.010 0.000 2.447 448 E HA 0.083 4.433 4.350 -0.000 0.000 0.195 448 E C 2.011 178.613 176.600 0.003 0.000 1.028 448 E CA 0.284 56.688 56.400 0.007 0.000 0.876 448 E CB 0.148 29.852 29.700 0.006 0.000 0.885 448 E HN 0.454 nan 8.360 nan 0.000 0.500 449 A N 2.544 125.367 122.820 0.005 0.000 1.873 449 A HA -0.144 4.176 4.320 -0.000 0.000 0.218 449 A C -0.298 177.288 177.584 0.002 0.000 1.193 449 A CA 1.378 53.417 52.037 0.003 0.000 0.629 449 A CB -1.479 17.525 19.000 0.006 0.000 0.826 449 A HN 0.113 nan 8.150 nan 0.000 0.447 450 P HA -0.170 nan 4.420 nan 0.000 0.214 450 P C 1.774 179.076 177.300 0.004 0.000 1.163 450 P CA 1.205 64.309 63.100 0.007 0.000 0.889 450 P CB -0.117 31.590 31.700 0.012 0.000 0.790 451 L N -0.320 120.904 121.223 0.002 0.000 2.012 451 L HA -0.160 4.179 4.340 -0.000 0.000 0.210 451 L C 2.309 179.165 176.870 -0.024 0.000 1.073 451 L CA 1.898 56.735 54.840 -0.005 0.000 0.748 451 L CB -0.742 41.313 42.059 -0.006 0.000 0.891 451 L HN -0.200 nan 8.230 nan 0.000 0.431 452 R N -1.077 119.408 120.500 -0.024 0.000 2.120 452 R HA -0.199 4.141 4.340 -0.000 0.000 0.234 452 R C 2.284 178.568 176.300 -0.027 0.000 1.123 452 R CA 1.330 57.410 56.100 -0.035 0.000 0.975 452 R CB -0.441 29.844 30.300 -0.024 0.000 0.866 452 R HN 0.407 nan 8.270 nan 0.000 0.446 453 Q N 1.317 121.109 119.800 -0.013 0.000 2.046 453 Q HA -0.068 4.272 4.340 -0.000 0.000 0.200 453 Q C 1.900 177.897 176.000 -0.005 0.000 0.975 453 Q CA 1.566 57.365 55.803 -0.007 0.000 0.836 453 Q CB -0.219 28.518 28.738 -0.001 0.000 0.896 453 Q HN 0.325 nan 8.270 nan 0.000 0.428 454 I N -0.442 120.128 120.570 -0.000 0.000 2.151 454 I HA -0.292 3.877 4.170 -0.000 0.000 0.243 454 I C 2.017 178.144 176.117 0.016 0.000 1.080 454 I CA 1.223 62.531 61.300 0.013 0.000 1.339 454 I CB -0.335 37.681 38.000 0.026 0.000 1.039 454 I HN 0.067 nan 8.210 nan 0.000 0.409 455 V N 0.449 120.353 119.914 -0.018 0.000 2.626 455 V HA -0.228 3.891 4.120 -0.000 0.000 0.252 455 V C 2.260 178.330 176.094 -0.039 0.000 1.067 455 V CA 1.169 63.432 62.300 -0.061 0.000 1.081 455 V CB -0.377 31.328 31.823 -0.196 0.000 0.686 455 V HN 0.338 nan 8.190 nan 0.000 0.468 456 L N 0.769 121.976 121.223 -0.027 0.000 2.027 456 L HA -0.078 4.262 4.340 -0.000 0.000 0.206 456 L C 2.149 179.016 176.870 -0.005 0.000 1.074 456 L CA 1.848 56.678 54.840 -0.018 0.000 0.745 456 L CB -0.789 41.262 42.059 -0.014 0.000 0.898 456 L HN 0.286 nan 8.230 nan 0.000 0.433 457 N N -1.273 117.428 118.700 0.002 0.000 2.443 457 N HA -0.146 4.593 4.740 -0.000 0.000 0.184 457 N C 1.587 177.105 175.510 0.013 0.000 1.037 457 N CA 1.291 54.345 53.050 0.007 0.000 0.896 457 N CB -0.607 37.884 38.487 0.008 0.000 0.959 457 N HN 0.409 nan 8.380 nan 0.000 0.442 458 C N -0.580 118.732 119.300 0.022 0.000 2.626 458 C HA 0.264 4.724 4.460 -0.000 0.000 0.266 458 C C 1.714 176.720 174.990 0.027 0.000 1.317 458 C CA 0.239 59.280 59.018 0.037 0.000 1.716 458 C CB -1.132 26.658 27.740 0.084 0.000 1.819 458 C HN 0.605 nan 8.230 nan 0.000 0.578 459 G N 1.122 109.929 108.800 0.012 0.000 2.155 459 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.257 459 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.257 459 G C -0.157 174.747 174.900 0.006 0.000 0.983 459 G CA 0.378 45.483 45.100 0.009 0.000 0.676 459 G HN 0.511 nan 8.290 nan 0.000 0.528 460 E N 0.312 120.510 120.200 -0.004 0.000 2.254 460 E HA 0.433 4.782 4.350 -0.000 0.000 0.258 460 E C 0.297 176.869 176.600 -0.046 0.000 1.033 460 E CA -0.733 55.653 56.400 -0.023 0.000 0.893 460 E CB 0.565 30.238 29.700 -0.045 0.000 1.204 460 E HN 0.512 nan 8.360 nan 0.000 0.425 461 E N 2.642 122.812 120.200 -0.051 0.000 2.052 461 E HA 0.087 4.437 4.350 -0.000 0.000 0.283 461 E C -1.544 175.009 176.600 -0.078 0.000 1.071 461 E CA -1.556 54.816 56.400 -0.047 0.000 0.851 461 E CB 0.887 30.572 29.700 -0.024 0.000 1.066 461 E HN 0.192 nan 8.360 nan 0.000 0.396 462 P HA -0.210 nan 4.420 nan 0.000 0.217 462 P C 1.324 178.587 177.300 -0.062 0.000 1.150 462 P CA 1.240 64.290 63.100 -0.084 0.000 0.832 462 P CB 0.271 31.937 31.700 -0.056 0.000 0.787 463 S N -1.128 114.550 115.700 -0.038 0.000 2.453 463 S HA -0.024 4.445 4.470 -0.000 0.000 0.231 463 S C 1.987 176.578 174.600 -0.016 0.000 1.005 463 S CA 0.685 58.872 58.200 -0.022 0.000 0.949 463 S CB -1.394 61.799 63.200 -0.013 0.000 0.774 463 S HN -0.023 nan 8.310 nan 0.000 0.510 464 V N 1.356 121.257 119.914 -0.021 0.000 2.379 464 V HA -0.025 4.095 4.120 -0.000 0.000 0.243 464 V C 2.610 178.711 176.094 0.013 0.000 1.035 464 V CA 1.210 63.509 62.300 -0.003 0.000 1.035 464 V CB -0.546 31.279 31.823 0.002 0.000 0.673 464 V HN 0.432 nan 8.190 nan 0.000 0.457 465 V N 0.654 120.545 119.914 -0.038 0.000 2.358 465 V HA -0.223 3.896 4.120 -0.000 0.000 0.246 465 V C 2.739 178.843 176.094 0.017 0.000 1.047 465 V CA 1.985 64.261 62.300 -0.040 0.000 1.035 465 V CB -1.162 30.410 31.823 -0.418 0.000 0.658 465 V HN 0.532 nan 8.190 nan 0.000 0.452 466 A N 0.708 123.514 122.820 -0.025 0.000 1.902 466 A HA -0.300 4.020 4.320 -0.000 0.000 0.217 466 A C 2.082 179.685 177.584 0.032 0.000 1.181 466 A CA 2.350 54.389 52.037 0.003 0.000 0.623 466 A CB -0.915 18.079 19.000 -0.011 0.000 0.818 466 A HN 0.649 nan 8.150 nan 0.000 0.443 467 N N -0.784 117.931 118.700 0.025 0.000 2.120 467 N HA -0.130 4.610 4.740 -0.000 0.000 0.188 467 N C 1.622 177.157 175.510 0.042 0.000 1.024 467 N CA 2.372 55.439 53.050 0.027 0.000 0.852 467 N CB -0.342 38.154 38.487 0.015 0.000 1.003 467 N HN 0.372 nan 8.380 nan 0.000 0.424 468 T N -0.539 114.047 114.554 0.053 0.000 2.770 468 T HA -0.043 4.307 4.350 -0.000 0.000 0.263 468 T C 1.928 176.712 174.700 0.140 0.000 1.039 468 T CA 1.252 63.376 62.100 0.039 0.000 1.142 468 T CB -0.416 68.407 68.868 -0.075 0.000 0.868 468 T HN 0.036 nan 8.240 nan 0.000 0.435 469 V N 1.870 121.892 119.914 0.179 0.000 2.332 469 V HA -0.197 3.923 4.120 -0.000 0.000 0.248 469 V C 2.492 178.694 176.094 0.180 0.000 1.055 469 V CA 1.548 63.952 62.300 0.175 0.000 1.038 469 V CB -0.523 31.364 31.823 0.107 0.000 0.651 469 V HN 0.469 nan 8.190 nan 0.000 0.450 470 K N 0.263 120.732 120.400 0.115 0.000 2.097 470 K HA -0.090 4.230 4.320 -0.000 0.000 0.205 470 K C 2.218 178.870 176.600 0.088 0.000 1.050 470 K CA 1.428 57.767 56.287 0.087 0.000 0.938 470 K CB -0.580 31.952 32.500 0.053 0.000 0.718 470 K HN 0.569 nan 8.250 nan 0.000 0.442 471 G N 1.249 110.100 108.800 0.085 0.000 2.471 471 G HA2 -0.092 3.868 3.960 -0.000 0.000 0.219 471 G HA3 -0.092 3.868 3.960 -0.000 0.000 0.219 471 G C 0.852 175.780 174.900 0.047 0.000 1.125 471 G CA 0.651 45.781 45.100 0.050 0.000 0.775 471 G HN 0.351 nan 8.290 nan 0.000 0.548 472 G N -0.753 108.133 108.800 0.143 0.000 2.489 472 G HA2 0.434 4.394 3.960 -0.000 0.000 0.271 472 G HA3 0.434 4.394 3.960 -0.000 0.000 0.271 472 G C -1.042 173.909 174.900 0.084 0.000 1.427 472 G CA 0.012 45.159 45.100 0.079 0.000 1.057 472 G HN 0.282 nan 8.290 nan 0.000 0.532 473 D N -3.757 116.686 120.400 0.073 0.000 2.655 473 D HA 0.503 5.143 4.640 -0.000 0.000 0.229 473 D C 0.469 176.831 176.300 0.103 0.000 1.229 473 D CA 0.995 55.035 54.000 0.067 0.000 0.807 473 D CB 1.351 42.155 40.800 0.007 0.000 1.514 473 D HN 1.174 nan 8.370 nan 0.000 0.444 474 G N 1.905 110.755 108.800 0.083 0.000 2.552 474 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.265 474 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.265 474 G C 0.267 175.234 174.900 0.111 0.000 1.234 474 G CA -0.007 45.142 45.100 0.082 0.000 0.944 474 G HN 0.598 nan 8.290 nan 0.000 0.568 475 N N 0.589 119.351 118.700 0.104 0.000 2.441 475 N HA 0.108 4.848 4.740 -0.000 0.000 0.225 475 N C 0.068 175.666 175.510 0.146 0.000 1.208 475 N CA 0.363 53.473 53.050 0.100 0.000 0.847 475 N CB -0.258 38.270 38.487 0.067 0.000 1.121 475 N HN 0.492 nan 8.380 nan 0.000 0.479 476 Y N 0.522 120.855 120.300 0.055 0.000 2.393 476 Y HA 0.484 5.034 4.550 -0.000 0.000 0.338 476 Y C 0.705 176.675 175.900 0.117 0.000 1.029 476 Y CA -0.307 57.840 58.100 0.080 0.000 1.239 476 Y CB 0.335 38.836 38.460 0.068 0.000 1.170 476 Y HN 0.074 nan 8.280 nan 0.000 0.515 477 G N 4.167 112.743 108.800 -0.374 0.000 2.846 477 G HA2 0.241 4.201 3.960 -0.000 0.000 0.299 477 G HA3 0.241 4.201 3.960 -0.000 0.000 0.299 477 G C -2.379 172.393 174.900 -0.214 0.000 1.242 477 G CA -0.889 44.046 45.100 -0.274 0.000 0.800 477 G HN 0.547 nan 8.290 nan 0.000 0.538 478 Y N 1.393 121.523 120.300 -0.285 0.000 2.335 478 Y HA 0.587 5.137 4.550 -0.000 0.000 0.338 478 Y C -0.267 175.464 175.900 -0.282 0.000 0.977 478 Y CA -1.243 56.583 58.100 -0.457 0.000 1.114 478 Y CB 1.671 39.803 38.460 -0.546 0.000 1.182 478 Y HN 0.410 nan 8.280 nan 0.000 0.463 479 N N 4.898 123.208 118.700 -0.650 0.000 2.521 479 N HA 0.182 4.922 4.740 -0.000 0.000 0.236 479 N C 0.379 175.476 175.510 -0.689 0.000 1.067 479 N CA 0.516 53.279 53.050 -0.478 0.000 0.939 479 N CB 1.303 39.595 38.487 -0.325 0.000 1.201 479 N HN 0.908 nan 8.380 nan 0.000 0.511 480 A N 3.479 126.059 122.820 -0.400 0.000 2.121 480 A HA 0.003 4.323 4.320 -0.000 0.000 0.218 480 A C 2.003 179.481 177.584 -0.177 0.000 1.154 480 A CA 1.473 53.373 52.037 -0.227 0.000 0.679 480 A CB -0.341 18.683 19.000 0.041 0.000 0.795 480 A HN 0.699 nan 8.150 nan 0.000 0.458 481 A N -0.152 122.566 122.820 -0.170 0.000 1.841 481 A HA -0.070 4.250 4.320 -0.000 0.000 0.214 481 A C 2.382 179.887 177.584 -0.131 0.000 1.195 481 A CA 2.309 54.277 52.037 -0.115 0.000 0.611 481 A CB -1.144 17.800 19.000 -0.092 0.000 0.835 481 A HN 0.763 nan 8.150 nan 0.000 0.443 482 T N -3.235 111.212 114.554 -0.179 0.000 3.081 482 T HA 0.189 4.539 4.350 -0.000 0.000 0.250 482 T C 0.253 174.823 174.700 -0.216 0.000 1.100 482 T CA 0.724 62.728 62.100 -0.161 0.000 1.038 482 T CB -0.349 68.435 68.868 -0.140 0.000 0.962 482 T HN 0.566 nan 8.240 nan 0.000 0.516 483 E N 1.379 121.351 120.200 -0.381 0.000 2.271 483 E HA -0.131 4.219 4.350 -0.000 0.000 0.223 483 E C -0.865 175.475 176.600 -0.434 0.000 1.223 483 E CA 0.424 56.521 56.400 -0.505 0.000 0.704 483 E CB -0.927 28.691 29.700 -0.138 0.000 1.194 483 E HN 0.664 nan 8.360 nan 0.000 0.375 484 E N -0.355 119.511 120.200 -0.555 0.000 2.356 484 E HA 0.332 4.682 4.350 -0.000 0.000 0.275 484 E C -0.601 175.801 176.600 -0.330 0.000 0.904 484 E CA -0.720 55.521 56.400 -0.266 0.000 0.757 484 E CB 1.001 30.638 29.700 -0.105 0.000 1.232 484 E HN 0.044 nan 8.360 nan 0.000 0.442 485 Y N 0.195 120.472 120.300 -0.039 0.000 2.295 485 Y HA 0.590 5.139 4.550 -0.000 0.000 0.331 485 Y C 1.339 177.231 175.900 -0.014 0.000 1.311 485 Y CA 0.855 58.923 58.100 -0.052 0.000 1.430 485 Y CB 1.229 39.711 38.460 0.037 0.000 1.339 485 Y HN 0.702 nan 8.280 nan 0.000 0.552 486 G N 0.243 109.129 108.800 0.142 0.000 2.345 486 G HA2 -0.041 3.919 3.960 -0.000 0.000 0.285 486 G HA3 -0.041 3.919 3.960 -0.000 0.000 0.285 486 G C -1.870 173.129 174.900 0.165 0.000 1.297 486 G CA -1.167 44.050 45.100 0.195 0.000 0.875 486 G HN 0.562 nan 8.290 nan 0.000 0.506 487 N N 1.224 120.011 118.700 0.145 0.000 2.415 487 N HA 0.136 4.876 4.740 -0.000 0.000 0.246 487 N C 1.827 177.368 175.510 0.052 0.000 1.078 487 N CA -0.550 52.571 53.050 0.118 0.000 0.942 487 N CB 0.675 39.224 38.487 0.103 0.000 1.140 487 N HN 0.419 nan 8.380 nan 0.000 0.501 488 M N 3.117 122.736 119.600 0.032 0.000 2.108 488 M HA -0.225 4.255 4.480 -0.000 0.000 0.257 488 M C 1.616 177.922 176.300 0.009 0.000 1.071 488 M CA 1.336 56.638 55.300 0.004 0.000 1.093 488 M CB -0.552 32.049 32.600 0.002 0.000 1.345 488 M HN 0.560 nan 8.290 nan 0.000 0.403 489 I N 0.306 120.889 120.570 0.023 0.000 2.252 489 I HA -0.256 3.914 4.170 -0.000 0.000 0.245 489 I C 1.915 178.041 176.117 0.015 0.000 1.102 489 I CA 1.449 62.760 61.300 0.018 0.000 1.385 489 I CB -1.422 36.592 38.000 0.024 0.000 1.064 489 I HN 0.250 nan 8.210 nan 0.000 0.414 490 D N 0.576 120.989 120.400 0.021 0.000 2.144 490 D HA -0.134 4.506 4.640 -0.000 0.000 0.200 490 D C 2.174 178.478 176.300 0.007 0.000 0.978 490 D CA 1.084 55.094 54.000 0.017 0.000 0.833 490 D CB -0.166 40.649 40.800 0.026 0.000 0.961 490 D HN 0.314 nan 8.370 nan 0.000 0.470 491 M N -0.390 119.211 119.600 0.003 0.000 2.686 491 M HA 0.096 4.576 4.480 -0.000 0.000 0.246 491 M C 1.059 177.349 176.300 -0.017 0.000 1.096 491 M CA 0.606 55.898 55.300 -0.013 0.000 1.076 491 M CB 0.172 32.754 32.600 -0.029 0.000 1.504 491 M HN 0.052 nan 8.290 nan 0.000 0.524 492 G N 1.945 110.740 108.800 -0.008 0.000 2.198 492 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.260 492 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.260 492 G C -0.000 174.892 174.900 -0.012 0.000 1.025 492 G CA -0.120 44.975 45.100 -0.009 0.000 0.769 492 G HN 0.542 nan 8.290 nan 0.000 0.507 493 I N 0.806 121.367 120.570 -0.015 0.000 2.388 493 I HA 0.518 4.688 4.170 -0.000 0.000 0.281 493 I C 0.172 176.285 176.117 -0.007 0.000 1.046 493 I CA -0.847 60.442 61.300 -0.017 0.000 1.187 493 I CB 0.480 38.460 38.000 -0.034 0.000 1.351 493 I HN 0.215 nan 8.210 nan 0.000 0.472 494 L N 3.466 124.688 121.223 -0.001 0.000 2.479 494 L HA 0.777 5.117 4.340 -0.000 0.000 0.255 494 L C -1.329 175.546 176.870 0.008 0.000 1.026 494 L CA -0.756 54.087 54.840 0.005 0.000 0.842 494 L CB 1.597 43.661 42.059 0.008 0.000 1.444 494 L HN 0.073 nan 8.230 nan 0.000 0.409 495 D N -0.579 119.829 120.400 0.012 0.000 2.601 495 D HA 0.480 5.120 4.640 -0.000 0.000 0.230 495 D C -2.842 173.469 176.300 0.018 0.000 1.106 495 D CA -1.254 52.755 54.000 0.015 0.000 0.873 495 D CB 2.358 43.168 40.800 0.017 0.000 1.515 495 D HN 0.351 nan 8.370 nan 0.000 0.468 496 P HA 0.070 nan 4.420 nan 0.000 0.268 496 P C 0.856 178.169 177.300 0.021 0.000 1.204 496 P CA 0.094 63.207 63.100 0.022 0.000 0.768 496 P CB 0.557 32.273 31.700 0.026 0.000 0.842 497 T N 2.230 116.796 114.554 0.019 0.000 2.849 497 T HA -0.209 4.140 4.350 -0.000 0.000 0.270 497 T C 1.586 176.297 174.700 0.018 0.000 1.066 497 T CA 1.266 63.377 62.100 0.017 0.000 1.130 497 T CB -0.277 68.600 68.868 0.015 0.000 0.864 497 T HN 0.493 nan 8.240 nan 0.000 0.481 498 K N 1.063 121.476 120.400 0.021 0.000 2.097 498 K HA -0.090 4.230 4.320 -0.000 0.000 0.206 498 K C 2.431 179.051 176.600 0.033 0.000 1.049 498 K CA 1.380 57.681 56.287 0.024 0.000 0.933 498 K CB -0.246 32.270 32.500 0.026 0.000 0.717 498 K HN 0.371 nan 8.250 nan 0.000 0.442 499 V N -1.021 118.914 119.914 0.035 0.000 2.453 499 V HA -0.120 4.000 4.120 -0.000 0.000 0.247 499 V C 1.728 177.847 176.094 0.043 0.000 1.048 499 V CA 2.126 64.452 62.300 0.043 0.000 1.049 499 V CB -0.668 31.176 31.823 0.036 0.000 0.672 499 V HN 0.235 nan 8.190 nan 0.000 0.457 500 T N 0.331 114.904 114.554 0.031 0.000 2.867 500 T HA -0.109 4.241 4.350 -0.000 0.000 0.268 500 T C 1.942 176.657 174.700 0.025 0.000 1.057 500 T CA 1.995 64.112 62.100 0.028 0.000 1.136 500 T CB -0.317 68.564 68.868 0.022 0.000 0.874 500 T HN 0.621 nan 8.240 nan 0.000 0.466 501 R N 0.922 121.433 120.500 0.018 0.000 2.057 501 R HA -0.044 4.296 4.340 -0.000 0.000 0.229 501 R C 2.587 178.882 176.300 -0.007 0.000 1.136 501 R CA 1.590 57.691 56.100 0.001 0.000 0.952 501 R CB -0.339 29.957 30.300 -0.007 0.000 0.848 501 R HN 0.210 nan 8.270 nan 0.000 0.430 502 S N 0.858 116.571 115.700 0.022 0.000 2.370 502 S HA -0.175 4.295 4.470 -0.000 0.000 0.226 502 S C 2.049 176.746 174.600 0.161 0.000 1.033 502 S CA 1.254 59.492 58.200 0.063 0.000 1.011 502 S CB -0.370 62.942 63.200 0.186 0.000 0.852 502 S HN 0.573 nan 8.310 nan 0.000 0.457 503 A N 1.677 124.576 122.820 0.132 0.000 1.873 503 A HA -0.094 4.226 4.320 -0.000 0.000 0.218 503 A C 2.141 179.782 177.584 0.095 0.000 1.193 503 A CA 1.411 53.522 52.037 0.124 0.000 0.629 503 A CB -0.900 18.143 19.000 0.072 0.000 0.826 503 A HN 0.453 nan 8.150 nan 0.000 0.447 504 L N -0.763 120.488 121.223 0.047 0.000 2.017 504 L HA -0.254 4.086 4.340 -0.000 0.000 0.208 504 L C 2.878 179.749 176.870 0.002 0.000 1.073 504 L CA 2.081 56.935 54.840 0.023 0.000 0.745 504 L CB -0.575 41.488 42.059 0.007 0.000 0.894 504 L HN 0.570 nan 8.230 nan 0.000 0.432 505 Q N -1.264 118.506 119.800 -0.049 0.000 2.016 505 Q HA -0.239 4.101 4.340 -0.000 0.000 0.200 505 Q C 2.068 177.997 176.000 -0.119 0.000 0.978 505 Q CA 1.826 57.551 55.803 -0.130 0.000 0.833 505 Q CB -0.280 28.311 28.738 -0.245 0.000 0.895 505 Q HN 0.454 nan 8.270 nan 0.000 0.427 506 Y N 0.517 120.819 120.300 0.003 0.000 2.181 506 Y HA -0.214 4.336 4.550 -0.000 0.000 0.288 506 Y C 2.453 178.355 175.900 0.004 0.000 1.146 506 Y CA 1.042 59.144 58.100 0.003 0.000 1.164 506 Y CB -0.766 37.695 38.460 0.001 0.000 0.982 506 Y HN 0.151 nan 8.280 nan 0.000 0.515 507 A N 0.014 122.931 122.820 0.161 0.000 1.908 507 A HA -0.172 4.148 4.320 -0.000 0.000 0.218 507 A C 2.444 180.065 177.584 0.062 0.000 1.181 507 A CA 2.059 54.151 52.037 0.092 0.000 0.627 507 A CB -1.239 17.800 19.000 0.065 0.000 0.818 507 A HN 0.402 nan 8.150 nan 0.000 0.445 508 A N -1.065 121.780 122.820 0.042 0.000 2.014 508 A HA 0.010 4.330 4.320 -0.000 0.000 0.218 508 A C 2.385 179.984 177.584 0.026 0.000 1.163 508 A CA 1.876 53.927 52.037 0.023 0.000 0.652 508 A CB -0.757 18.245 19.000 0.004 0.000 0.808 508 A HN 0.562 nan 8.150 nan 0.000 0.449 509 S N -0.016 115.707 115.700 0.039 0.000 2.344 509 S HA -0.162 4.308 4.470 -0.000 0.000 0.217 509 S C 2.000 176.632 174.600 0.054 0.000 1.033 509 S CA 2.164 60.392 58.200 0.047 0.000 1.017 509 S CB -0.755 62.494 63.200 0.082 0.000 0.941 509 S HN 0.583 nan 8.310 nan 0.000 0.430 510 V N 2.177 122.132 119.914 0.069 0.000 2.343 510 V HA -0.051 4.069 4.120 -0.000 0.000 0.247 510 V C 2.878 178.994 176.094 0.038 0.000 1.051 510 V CA 1.677 64.007 62.300 0.051 0.000 1.036 510 V CB -1.919 29.933 31.823 0.049 0.000 0.654 510 V HN 0.590 nan 8.190 nan 0.000 0.451 511 A N 1.343 124.185 122.820 0.036 0.000 1.948 511 A HA -0.084 4.236 4.320 -0.000 0.000 0.220 511 A C 2.388 179.986 177.584 0.023 0.000 1.177 511 A CA 2.235 54.288 52.037 0.027 0.000 0.636 511 A CB -1.355 17.660 19.000 0.025 0.000 0.815 511 A HN 0.598 nan 8.150 nan 0.000 0.449 512 G N -0.335 108.479 108.800 0.023 0.000 2.394 512 G HA2 -0.092 3.868 3.960 -0.000 0.000 0.214 512 G HA3 -0.092 3.868 3.960 -0.000 0.000 0.214 512 G C 1.564 176.476 174.900 0.020 0.000 1.176 512 G CA 0.909 46.021 45.100 0.019 0.000 0.786 512 G HN 0.423 nan 8.290 nan 0.000 0.533 513 L N -0.265 120.972 121.223 0.024 0.000 1.989 513 L HA -0.105 4.234 4.340 -0.000 0.000 0.211 513 L C 2.923 179.807 176.870 0.022 0.000 1.071 513 L CA 1.713 56.567 54.840 0.024 0.000 0.749 513 L CB -0.397 41.678 42.059 0.028 0.000 0.890 513 L HN 0.260 nan 8.230 nan 0.000 0.431 514 M N -0.217 119.397 119.600 0.023 0.000 2.149 514 M HA -0.233 4.247 4.480 -0.000 0.000 0.261 514 M C 2.170 178.481 176.300 0.019 0.000 1.064 514 M CA 1.832 57.145 55.300 0.022 0.000 1.102 514 M CB -0.072 32.541 32.600 0.022 0.000 1.369 514 M HN 0.159 nan 8.290 nan 0.000 0.408 515 I N -0.453 120.128 120.570 0.018 0.000 2.676 515 I HA -0.160 4.010 4.170 -0.000 0.000 0.259 515 I C 1.108 177.236 176.117 0.017 0.000 1.194 515 I CA 1.302 62.612 61.300 0.016 0.000 1.473 515 I CB -0.375 37.634 38.000 0.014 0.000 1.096 515 I HN 0.418 nan 8.210 nan 0.000 0.443 516 T N -2.933 111.632 114.554 0.018 0.000 3.275 516 T HA 0.225 4.575 4.350 -0.000 0.000 0.265 516 T C 0.263 174.977 174.700 0.023 0.000 0.978 516 T CA -0.367 61.745 62.100 0.020 0.000 0.923 516 T CB -0.212 68.666 68.868 0.018 0.000 1.126 516 T HN -0.134 nan 8.240 nan 0.000 0.538 517 T N 1.827 116.394 114.554 0.023 0.000 2.770 517 T HA 0.362 4.712 4.350 -0.000 0.000 0.283 517 T C 0.506 175.222 174.700 0.027 0.000 0.988 517 T CA -0.557 61.556 62.100 0.023 0.000 0.957 517 T CB 1.758 70.637 68.868 0.018 0.000 0.930 517 T HN 0.138 nan 8.240 nan 0.000 0.443 518 E N 0.755 120.980 120.200 0.041 0.000 2.473 518 E HA 0.157 4.507 4.350 -0.000 0.000 0.204 518 E C 0.141 176.786 176.600 0.074 0.000 0.994 518 E CA 0.131 56.576 56.400 0.076 0.000 0.945 518 E CB 0.677 30.443 29.700 0.111 0.000 0.990 518 E HN 0.586 nan 8.360 nan 0.000 0.493 519 C N 0.607 119.897 119.300 -0.016 0.000 2.782 519 C HA 0.644 5.103 4.460 -0.000 0.000 0.328 519 C C -1.296 173.605 174.990 -0.149 0.000 1.145 519 C CA -0.675 58.218 59.018 -0.209 0.000 1.358 519 C CB 0.405 27.994 27.740 -0.251 0.000 1.841 519 C HN 0.087 nan 8.230 nan 0.000 0.477 520 M N 5.290 124.788 119.600 -0.170 0.000 2.393 520 M HA 0.610 5.090 4.480 -0.000 0.000 0.316 520 M C -1.039 175.309 176.300 0.079 0.000 1.087 520 M CA -0.623 54.692 55.300 0.025 0.000 0.937 520 M CB 2.072 34.793 32.600 0.202 0.000 1.668 520 M HN 0.401 nan 8.290 nan 0.000 0.438 521 V N 1.386 121.329 119.914 0.048 0.000 2.487 521 V HA 0.760 4.879 4.120 -0.000 0.000 0.298 521 V C -0.324 175.739 176.094 -0.052 0.000 1.028 521 V CA -0.381 61.927 62.300 0.014 0.000 0.860 521 V CB 2.027 33.837 31.823 -0.022 0.000 0.991 521 V HN 0.960 nan 8.190 nan 0.000 0.427 522 T N 2.008 116.489 114.554 -0.122 0.000 2.853 522 T HA 0.388 4.738 4.350 -0.000 0.000 0.311 522 T C -1.368 173.231 174.700 -0.167 0.000 1.307 522 T CA -0.564 61.404 62.100 -0.221 0.000 1.019 522 T CB 1.863 70.442 68.868 -0.482 0.000 1.264 522 T HN 0.637 nan 8.240 nan 0.000 0.497 523 D N 1.783 122.099 120.400 -0.140 0.000 2.382 523 D HA 0.315 4.955 4.640 -0.000 0.000 0.240 523 D C 0.323 176.561 176.300 -0.103 0.000 1.146 523 D CA 0.124 54.068 54.000 -0.093 0.000 0.897 523 D CB 0.473 41.229 40.800 -0.074 0.000 1.197 523 D HN 0.401 nan 8.370 nan 0.000 0.432 524 L N 2.994 124.184 121.223 -0.056 0.000 2.452 524 L HA 0.243 4.583 4.340 -0.000 0.000 0.267 524 L C -1.300 175.546 176.870 -0.041 0.000 1.188 524 L CA -1.300 53.517 54.840 -0.038 0.000 0.821 524 L CB 0.198 42.253 42.059 -0.008 0.000 1.102 524 L HN 0.369 nan 8.230 nan 0.000 0.470 525 P HA 0.000 nan 4.420 nan 0.000 0.216 525 P CA 0.000 63.083 63.100 -0.029 0.000 0.800 525 P CB 0.000 31.689 31.700 -0.018 0.000 0.726