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 2c7d_1_E DATA FIRST_RESID 2 DATA SEQUENCE AAKDVKFGND ARVKMLRGVN VLADAVKVTL GPKGRNVVLD KSFGAPTITK DATA SEQUENCE DGVSVAREIE LEDKFENMGA QMVKEVASKA NDAAGDGTTT ATVLAQAIIT DATA SEQUENCE EGLKAVAAGM NPMDLKRGID KAVTAAVEEL KALSVPCSDS KAIAQVGTIS DATA SEQUENCE ANSDETVGKL IAEAMDKVGK EGVITVEDGT GLQDELDVVE GMQFDRGYLS DATA SEQUENCE PYFINKPETG AVELESPFIL LADKKISNIR EMLPVLEAVA KAGKPLLIIA DATA SEQUENCE EDVEGEALAT LVVNTMRGIV 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 TDLPK 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 0.000 177.588 177.584 0.007 0.000 1.274 2 A CA 0.000 52.039 52.037 0.003 0.000 0.836 2 A CB 0.000 19.000 19.000 -0.001 0.000 0.831 3 A N 2.344 125.172 122.820 0.013 0.000 2.340 3 A HA 0.686 5.006 4.320 0.000 0.000 0.268 3 A C 0.091 177.691 177.584 0.027 0.000 1.100 3 A CA -0.226 51.823 52.037 0.020 0.000 0.803 3 A CB 0.308 19.322 19.000 0.023 0.000 1.043 3 A HN 0.612 nan 8.150 nan 0.000 0.488 4 K N 1.254 121.676 120.400 0.037 0.000 2.118 4 K HA 0.364 4.684 4.320 0.000 0.000 0.254 4 K C -0.786 175.870 176.600 0.094 0.000 0.961 4 K CA -0.578 55.741 56.287 0.054 0.000 0.876 4 K CB 1.597 34.124 32.500 0.045 0.000 1.077 4 K HN 0.814 nan 8.250 nan 0.000 0.440 5 D N 0.624 121.118 120.400 0.156 0.000 2.340 5 D HA 0.451 5.092 4.640 0.000 0.000 0.251 5 D C -1.080 175.425 176.300 0.342 0.000 1.080 5 D CA -0.548 53.596 54.000 0.241 0.000 0.971 5 D CB 1.176 42.178 40.800 0.336 0.000 1.137 5 D HN 0.226 nan 8.370 nan 0.000 0.475 6 V N -1.353 118.718 119.914 0.263 0.000 2.932 6 V HA 0.700 4.820 4.120 0.000 0.000 0.307 6 V C -1.154 174.980 176.094 0.067 0.000 1.147 6 V CA -0.887 61.541 62.300 0.214 0.000 0.951 6 V CB 1.771 33.669 31.823 0.124 0.000 1.031 6 V HN 0.524 nan 8.190 nan 0.000 0.426 7 K N 3.382 123.793 120.400 0.019 0.000 2.498 7 K HA 0.741 5.062 4.320 0.000 0.000 0.254 7 K C -1.910 174.684 176.600 -0.010 0.000 0.933 7 K CA -0.381 55.885 56.287 -0.035 0.000 0.806 7 K CB 2.781 35.050 32.500 -0.384 0.000 1.301 7 K HN 0.606 nan 8.250 nan 0.000 0.432 8 F N 0.258 120.199 119.950 -0.016 0.000 2.538 8 F HA 0.415 4.942 4.527 -0.001 0.000 0.325 8 F C 1.473 177.274 175.800 0.002 0.000 1.066 8 F CA 0.443 58.448 58.000 0.007 0.000 0.946 8 F CB 1.665 40.665 39.000 0.000 0.000 1.199 8 F HN 0.842 nan 8.300 nan 0.000 0.473 9 G N 2.161 111.078 108.800 0.195 0.000 2.699 9 G HA2 -0.556 3.404 3.960 0.000 0.000 0.351 9 G HA3 -0.556 3.404 3.960 0.000 0.000 0.351 9 G C 1.327 176.275 174.900 0.079 0.000 1.191 9 G CA 1.556 46.730 45.100 0.123 0.000 0.953 9 G HN 0.839 nan 8.290 nan 0.000 0.557 10 N N 1.255 119.994 118.700 0.064 0.000 2.000 10 N HA -0.091 4.649 4.740 0.000 0.000 0.198 10 N C 1.832 177.362 175.510 0.033 0.000 1.057 10 N CA 2.809 55.882 53.050 0.039 0.000 0.858 10 N CB -0.568 37.935 38.487 0.026 0.000 1.057 10 N HN 0.614 nan 8.380 nan 0.000 0.423 11 D N -0.352 120.066 120.400 0.030 0.000 2.178 11 D HA -0.059 4.581 4.640 0.000 0.000 0.201 11 D C 1.866 178.158 176.300 -0.014 0.000 0.980 11 D CA 1.350 55.347 54.000 -0.005 0.000 0.842 11 D CB -0.383 40.406 40.800 -0.017 0.000 0.948 11 D HN 0.507 nan 8.370 nan 0.000 0.472 12 A N 0.999 123.837 122.820 0.029 0.000 1.835 12 A HA -0.187 4.133 4.320 0.000 0.000 0.215 12 A C 2.128 179.754 177.584 0.070 0.000 1.199 12 A CA 1.416 53.493 52.037 0.066 0.000 0.615 12 A CB -0.535 18.506 19.000 0.069 0.000 0.838 12 A HN 0.069 nan 8.150 nan 0.000 0.444 13 R N -0.754 119.778 120.500 0.053 0.000 2.120 13 R HA -0.071 4.270 4.340 0.000 0.000 0.234 13 R C 2.030 178.354 176.300 0.039 0.000 1.123 13 R CA 1.284 57.411 56.100 0.045 0.000 0.975 13 R CB -0.559 29.763 30.300 0.037 0.000 0.866 13 R HN 0.399 nan 8.270 nan 0.000 0.446 14 V N 1.455 121.388 119.914 0.031 0.000 2.295 14 V HA -0.266 3.855 4.120 0.000 0.000 0.246 14 V C 2.313 178.427 176.094 0.033 0.000 1.049 14 V CA 1.679 63.994 62.300 0.024 0.000 1.024 14 V CB -0.334 31.496 31.823 0.012 0.000 0.648 14 V HN 0.232 nan 8.190 nan 0.000 0.447 15 K N -0.613 119.812 120.400 0.043 0.000 2.025 15 K HA -0.120 4.200 4.320 0.000 0.000 0.207 15 K C 2.144 178.797 176.600 0.088 0.000 1.049 15 K CA 1.684 58.015 56.287 0.073 0.000 0.933 15 K CB -0.545 32.020 32.500 0.107 0.000 0.714 15 K HN 0.437 nan 8.250 nan 0.000 0.438 16 M N 0.787 120.441 119.600 0.091 0.000 2.082 16 M HA -0.235 4.246 4.480 0.000 0.000 0.258 16 M C 2.129 178.456 176.300 0.045 0.000 1.069 16 M CA 1.456 56.797 55.300 0.068 0.000 1.102 16 M CB -0.149 32.488 32.600 0.062 0.000 1.336 16 M HN 0.070 nan 8.290 nan 0.000 0.404 17 L N 0.632 121.878 121.223 0.039 0.000 2.017 17 L HA -0.206 4.134 4.340 0.000 0.000 0.208 17 L C 2.344 179.230 176.870 0.027 0.000 1.073 17 L CA 1.923 56.780 54.840 0.029 0.000 0.745 17 L CB -0.714 41.360 42.059 0.025 0.000 0.894 17 L HN 0.271 nan 8.230 nan 0.000 0.432 18 R N -0.586 119.932 120.500 0.030 0.000 2.103 18 R HA -0.155 4.185 4.340 0.000 0.000 0.242 18 R C 2.201 178.517 176.300 0.027 0.000 1.142 18 R CA 1.279 57.395 56.100 0.027 0.000 0.960 18 R CB -1.147 29.171 30.300 0.030 0.000 0.858 18 R HN 0.603 nan 8.270 nan 0.000 0.439 19 G N 0.707 109.527 108.800 0.033 0.000 2.446 19 G HA2 -0.243 3.717 3.960 0.000 0.000 0.217 19 G HA3 -0.243 3.717 3.960 0.000 0.000 0.217 19 G C 1.504 176.414 174.900 0.018 0.000 1.168 19 G CA 0.914 46.030 45.100 0.026 0.000 0.771 19 G HN 0.146 nan 8.290 nan 0.000 0.551 20 V N 1.388 121.314 119.914 0.019 0.000 2.332 20 V HA -0.261 3.859 4.120 0.000 0.000 0.248 20 V C 2.591 178.693 176.094 0.014 0.000 1.055 20 V CA 2.344 64.653 62.300 0.015 0.000 1.038 20 V CB -0.786 31.048 31.823 0.017 0.000 0.651 20 V HN 0.427 nan 8.190 nan 0.000 0.450 21 N N -0.214 118.495 118.700 0.015 0.000 2.106 21 N HA -0.142 4.599 4.740 0.000 0.000 0.188 21 N C 1.692 177.208 175.510 0.011 0.000 1.029 21 N CA 1.366 54.424 53.050 0.013 0.000 0.848 21 N CB -0.321 38.174 38.487 0.013 0.000 1.007 21 N HN 0.267 nan 8.380 nan 0.000 0.423 22 V N 1.425 121.346 119.914 0.012 0.000 2.469 22 V HA -0.175 3.945 4.120 0.000 0.000 0.251 22 V C 2.084 178.183 176.094 0.007 0.000 1.064 22 V CA 1.127 63.433 62.300 0.010 0.000 1.066 22 V CB -0.484 31.346 31.823 0.011 0.000 0.667 22 V HN 0.384 nan 8.190 nan 0.000 0.461 23 L N 0.488 121.714 121.223 0.006 0.000 1.982 23 L HA -0.002 4.338 4.340 0.000 0.000 0.206 23 L C 2.445 179.318 176.870 0.005 0.000 1.078 23 L CA 2.759 57.601 54.840 0.004 0.000 0.749 23 L CB -1.333 40.727 42.059 0.003 0.000 0.894 23 L HN 0.302 nan 8.230 nan 0.000 0.436 24 A N -0.869 121.956 122.820 0.007 0.000 1.970 24 A HA -0.158 4.163 4.320 0.000 0.000 0.216 24 A C 1.791 179.380 177.584 0.008 0.000 1.170 24 A CA 1.352 53.394 52.037 0.008 0.000 0.645 24 A CB -0.560 18.446 19.000 0.011 0.000 0.816 24 A HN 0.539 nan 8.150 nan 0.000 0.447 25 D N -0.032 120.373 120.400 0.008 0.000 2.224 25 D HA 0.116 4.756 4.640 0.000 0.000 0.205 25 D C 2.111 178.414 176.300 0.005 0.000 0.965 25 D CA 1.046 55.051 54.000 0.007 0.000 0.852 25 D CB -0.024 40.781 40.800 0.007 0.000 0.947 25 D HN 0.440 nan 8.370 nan 0.000 0.494 26 A N 0.219 123.042 122.820 0.005 0.000 1.841 26 A HA -0.120 4.200 4.320 0.000 0.000 0.214 26 A C 2.324 179.910 177.584 0.003 0.000 1.195 26 A CA 0.935 52.974 52.037 0.003 0.000 0.611 26 A CB -0.899 18.102 19.000 0.003 0.000 0.835 26 A HN 0.117 nan 8.150 nan 0.000 0.443 27 V N 0.381 120.297 119.914 0.003 0.000 2.453 27 V HA -0.316 3.804 4.120 0.000 0.000 0.252 27 V C 2.420 178.516 176.094 0.004 0.000 1.068 27 V CA 2.410 64.711 62.300 0.003 0.000 1.070 27 V CB -0.770 31.054 31.823 0.003 0.000 0.664 27 V HN 0.549 nan 8.190 nan 0.000 0.461 28 K N 0.079 120.482 120.400 0.005 0.000 2.152 28 K HA -0.152 4.169 4.320 0.000 0.000 0.206 28 K C 1.798 178.400 176.600 0.005 0.000 1.048 28 K CA 1.650 57.940 56.287 0.006 0.000 0.933 28 K CB -0.308 32.196 32.500 0.006 0.000 0.721 28 K HN 0.616 nan 8.250 nan 0.000 0.447 29 V N -1.005 118.911 119.914 0.004 0.000 3.510 29 V HA -0.021 4.099 4.120 0.000 0.000 0.270 29 V C 1.314 177.410 176.094 0.002 0.000 1.201 29 V CA 1.534 63.835 62.300 0.003 0.000 1.166 29 V CB -0.662 31.163 31.823 0.003 0.000 0.825 29 V HN 0.301 nan 8.190 nan 0.000 0.484 30 T N -2.844 111.711 114.554 0.002 0.000 3.044 30 T HA 0.376 4.727 4.350 0.000 0.000 0.260 30 T C 0.279 174.979 174.700 0.001 0.000 1.019 30 T CA -0.164 61.937 62.100 0.001 0.000 0.921 30 T CB 0.229 69.097 68.868 -0.000 0.000 1.053 30 T HN 0.341 nan 8.240 nan 0.000 0.533 31 L N 2.548 123.773 121.223 0.003 0.000 2.371 31 L HA 0.655 4.995 4.340 0.000 0.000 0.272 31 L C 0.752 177.624 176.870 0.002 0.000 1.124 31 L CA 1.488 56.330 54.840 0.003 0.000 0.816 31 L CB 0.096 42.158 42.059 0.006 0.000 1.129 31 L HN 0.668 nan 8.230 nan 0.000 0.448 32 G N 4.408 113.208 108.800 0.000 0.000 2.728 32 G HA2 -0.155 3.805 3.960 0.000 0.000 0.294 32 G HA3 -0.155 3.805 3.960 0.000 0.000 0.294 32 G C -2.280 172.615 174.900 -0.009 0.000 1.342 32 G CA -0.221 44.877 45.100 -0.003 0.000 0.866 32 G HN 0.581 nan 8.290 nan 0.000 0.534 33 P HA 0.090 nan 4.420 nan 0.000 0.231 33 P C 0.910 178.197 177.300 -0.021 0.000 1.168 33 P CA 1.126 64.212 63.100 -0.024 0.000 0.779 33 P CB 0.111 31.786 31.700 -0.041 0.000 0.844 34 K N 0.181 120.572 120.400 -0.015 0.000 2.437 34 K HA 0.253 4.573 4.320 0.000 0.000 0.205 34 K C 1.114 177.711 176.600 -0.005 0.000 1.026 34 K CA -0.295 55.986 56.287 -0.010 0.000 1.153 34 K CB 0.349 32.844 32.500 -0.007 0.000 0.863 34 K HN 0.040 nan 8.250 nan 0.000 0.502 35 G N 1.627 110.425 108.800 -0.005 0.000 2.432 35 G HA2 0.035 3.995 3.960 0.000 0.000 0.239 35 G HA3 0.035 3.995 3.960 0.000 0.000 0.239 35 G C -0.003 174.896 174.900 -0.002 0.000 1.291 35 G CA -0.283 44.816 45.100 -0.002 0.000 0.863 35 G HN 0.204 nan 8.290 nan 0.000 0.560 36 R N 1.025 121.525 120.500 -0.001 0.000 2.748 36 R HA 0.414 4.754 4.340 0.000 0.000 0.220 36 R C -0.612 175.687 176.300 -0.001 0.000 1.404 36 R CA -0.911 55.188 56.100 -0.001 0.000 1.039 36 R CB 0.498 30.799 30.300 0.000 0.000 1.904 36 R HN 0.462 nan 8.270 nan 0.000 0.529 37 N N -0.756 117.944 118.700 -0.000 0.000 2.292 37 N HA 0.432 5.172 4.740 0.000 0.000 0.303 37 N C -1.342 174.168 175.510 0.000 0.000 1.140 37 N CA -0.656 52.394 53.050 -0.000 0.000 0.788 37 N CB 2.142 40.629 38.487 -0.000 0.000 1.361 37 N HN 0.140 nan 8.380 nan 0.000 0.489 38 V N 0.669 120.583 119.914 0.000 0.000 2.667 38 V HA 0.606 4.726 4.120 0.000 0.000 0.308 38 V C -0.369 175.725 176.094 0.001 0.000 1.048 38 V CA -0.735 61.565 62.300 0.000 0.000 0.928 38 V CB 2.061 33.884 31.823 0.000 0.000 1.004 38 V HN 0.332 nan 8.190 nan 0.000 0.444 39 V N 4.730 124.644 119.914 0.000 0.000 2.604 39 V HA 0.528 4.648 4.120 0.000 0.000 0.305 39 V C -0.575 175.520 176.094 0.001 0.000 1.043 39 V CA -0.580 61.721 62.300 0.001 0.000 0.888 39 V CB 1.816 33.639 31.823 0.000 0.000 0.995 39 V HN 0.631 nan 8.190 nan 0.000 0.429 40 L N 3.151 124.376 121.223 0.003 0.000 2.298 40 L HA 0.523 4.863 4.340 0.000 0.000 0.284 40 L C -0.328 176.545 176.870 0.004 0.000 1.013 40 L CA -0.523 54.320 54.840 0.004 0.000 0.824 40 L CB 1.493 43.557 42.059 0.009 0.000 1.221 40 L HN 0.563 nan 8.230 nan 0.000 0.418 41 D N 3.951 124.349 120.400 -0.003 0.000 2.382 41 D HA 0.234 4.874 4.640 0.000 0.000 0.245 41 D C -0.678 175.612 176.300 -0.016 0.000 1.120 41 D CA 0.353 54.345 54.000 -0.014 0.000 0.890 41 D CB 0.787 41.572 40.800 -0.024 0.000 1.201 41 D HN 0.382 nan 8.370 nan 0.000 0.433 42 K N 1.651 122.035 120.400 -0.025 0.000 2.615 42 K HA 0.158 4.478 4.320 0.000 0.000 0.249 42 K C 0.463 177.005 176.600 -0.097 0.000 0.977 42 K CA -0.492 55.773 56.287 -0.036 0.000 0.833 42 K CB 1.624 34.162 32.500 0.063 0.000 1.208 42 K HN 0.362 nan 8.250 nan 0.000 0.443 43 S N 1.371 116.919 115.700 -0.254 0.000 2.453 43 S HA -0.077 4.393 4.470 0.000 0.000 0.231 43 S C 1.370 175.841 174.600 -0.214 0.000 1.005 43 S CA 0.646 58.682 58.200 -0.272 0.000 0.949 43 S CB -0.356 62.619 63.200 -0.375 0.000 0.774 43 S HN 0.494 nan 8.310 nan 0.000 0.510 44 F N 2.731 122.678 119.950 -0.006 0.000 2.546 44 F HA 0.387 4.915 4.527 0.001 0.000 0.298 44 F C 1.761 177.557 175.800 -0.006 0.000 1.120 44 F CA 0.048 58.045 58.000 -0.006 0.000 1.456 44 F CB -0.716 38.280 39.000 -0.007 0.000 1.088 44 F HN 0.548 nan 8.300 nan 0.000 0.572 45 G N -1.134 107.745 108.800 0.131 0.000 2.491 45 G HA2 0.389 4.350 3.960 0.000 0.000 0.183 45 G HA3 0.389 4.350 3.960 0.000 0.000 0.183 45 G C -1.226 173.704 174.900 0.049 0.000 1.221 45 G CA -0.516 44.632 45.100 0.080 0.000 0.996 45 G HN 0.208 nan 8.290 nan 0.000 0.474 46 A N 1.465 124.310 122.820 0.041 0.000 2.522 46 A HA 0.604 4.925 4.320 0.000 0.000 0.256 46 A C -1.753 175.848 177.584 0.028 0.000 1.086 46 A CA -0.160 51.893 52.037 0.027 0.000 0.763 46 A CB -0.717 18.296 19.000 0.022 0.000 1.024 46 A HN 0.406 nan 8.150 nan 0.000 0.502 47 P HA 0.182 nan 4.420 nan 0.000 0.269 47 P C -0.194 177.115 177.300 0.016 0.000 1.215 47 P CA 0.155 63.264 63.100 0.016 0.000 0.780 47 P CB 0.415 32.119 31.700 0.005 0.000 0.898 48 T N 2.955 117.519 114.554 0.016 0.000 2.891 48 T HA 0.351 4.701 4.350 0.000 0.000 0.315 48 T C 0.497 175.202 174.700 0.008 0.000 1.054 48 T CA -0.263 61.846 62.100 0.014 0.000 0.958 48 T CB -0.690 68.188 68.868 0.016 0.000 1.008 48 T HN 0.127 nan 8.240 nan 0.000 0.521 49 I N 3.030 123.604 120.570 0.006 0.000 2.588 49 I HA 0.396 4.567 4.170 0.000 0.000 0.283 49 I C 0.958 177.077 176.117 0.003 0.000 1.119 49 I CA 0.411 61.714 61.300 0.004 0.000 1.419 49 I CB 0.789 38.791 38.000 0.003 0.000 1.394 49 I HN 0.472 nan 8.210 nan 0.000 0.562 50 T N 3.933 118.488 114.554 0.001 0.000 2.802 50 T HA 0.407 4.757 4.350 0.000 0.000 0.311 50 T C 0.148 174.847 174.700 -0.001 0.000 1.405 50 T CA -0.685 61.415 62.100 0.000 0.000 1.016 50 T CB 1.280 70.147 68.868 -0.001 0.000 1.352 50 T HN 0.673 nan 8.240 nan 0.000 0.498 51 K N 0.373 120.772 120.400 -0.002 0.000 2.391 51 K HA 0.188 4.508 4.320 0.000 0.000 0.197 51 K C -0.348 176.249 176.600 -0.004 0.000 1.087 51 K CA -0.161 56.124 56.287 -0.003 0.000 1.012 51 K CB 0.405 32.904 32.500 -0.003 0.000 0.925 51 K HN 0.543 nan 8.250 nan 0.000 0.547 52 D N 0.042 120.438 120.400 -0.007 0.000 2.312 52 D HA 0.063 4.703 4.640 0.000 0.000 0.252 52 D C 1.138 177.432 176.300 -0.010 0.000 1.150 52 D CA -0.077 53.917 54.000 -0.011 0.000 0.870 52 D CB 1.477 42.267 40.800 -0.016 0.000 1.153 52 D HN 0.124 nan 8.370 nan 0.000 0.457 53 G N 2.592 111.387 108.800 -0.009 0.000 2.432 53 G HA2 -0.212 3.748 3.960 0.000 0.000 0.219 53 G HA3 -0.212 3.748 3.960 0.000 0.000 0.219 53 G C 1.390 176.284 174.900 -0.010 0.000 1.135 53 G CA 0.661 45.757 45.100 -0.006 0.000 0.767 53 G HN 0.479 nan 8.290 nan 0.000 0.550 54 V N 0.508 120.412 119.914 -0.017 0.000 2.488 54 V HA -0.084 4.036 4.120 0.000 0.000 0.246 54 V C 2.922 179.004 176.094 -0.020 0.000 1.046 54 V CA 2.508 64.794 62.300 -0.023 0.000 1.053 54 V CB -0.130 31.672 31.823 -0.035 0.000 0.679 54 V HN 0.352 nan 8.190 nan 0.000 0.458 55 S N -0.257 115.433 115.700 -0.017 0.000 2.368 55 S HA -0.140 4.330 4.470 0.000 0.000 0.224 55 S C 1.896 176.491 174.600 -0.008 0.000 1.029 55 S CA 1.518 59.711 58.200 -0.012 0.000 0.988 55 S CB -0.129 63.065 63.200 -0.010 0.000 0.838 55 S HN 0.463 nan 8.310 nan 0.000 0.462 56 V N 2.200 122.110 119.914 -0.007 0.000 2.343 56 V HA -0.221 3.900 4.120 0.000 0.000 0.247 56 V C 2.672 178.763 176.094 -0.005 0.000 1.051 56 V CA 1.774 64.071 62.300 -0.004 0.000 1.036 56 V CB -1.236 30.586 31.823 -0.003 0.000 0.654 56 V HN 0.541 nan 8.190 nan 0.000 0.451 57 A N -0.195 122.620 122.820 -0.007 0.000 1.877 57 A HA -0.227 4.093 4.320 0.000 0.000 0.216 57 A C 2.358 179.935 177.584 -0.011 0.000 1.186 57 A CA 1.813 53.845 52.037 -0.009 0.000 0.620 57 A CB -0.552 18.441 19.000 -0.011 0.000 0.822 57 A HN 0.476 nan 8.150 nan 0.000 0.443 58 R N -0.425 120.067 120.500 -0.013 0.000 2.139 58 R HA -0.133 4.207 4.340 0.000 0.000 0.243 58 R C 1.970 178.265 176.300 -0.009 0.000 1.145 58 R CA 1.378 57.469 56.100 -0.015 0.000 0.976 58 R CB -0.186 30.105 30.300 -0.016 0.000 0.866 58 R HN 0.550 nan 8.270 nan 0.000 0.449 59 E N 0.277 120.474 120.200 -0.005 0.000 2.150 59 E HA -0.097 4.253 4.350 0.000 0.000 0.193 59 E C 0.585 177.184 176.600 -0.002 0.000 0.985 59 E CA 0.558 56.957 56.400 -0.000 0.000 0.814 59 E CB 0.083 29.785 29.700 0.002 0.000 0.752 59 E HN 0.165 nan 8.360 nan 0.000 0.466 60 I N 1.653 122.220 120.570 -0.005 0.000 2.588 60 I HA 0.127 4.297 4.170 0.000 0.000 0.283 60 I C 0.385 176.498 176.117 -0.006 0.000 1.119 60 I CA 0.384 61.682 61.300 -0.004 0.000 1.419 60 I CB 0.521 38.520 38.000 -0.003 0.000 1.394 60 I HN -0.015 nan 8.210 nan 0.000 0.562 61 E N 5.117 125.314 120.200 -0.005 0.000 2.378 61 E HA 0.511 4.861 4.350 0.000 0.000 0.283 61 E C -2.033 174.564 176.600 -0.004 0.000 0.979 61 E CA -0.617 55.778 56.400 -0.008 0.000 0.795 61 E CB 1.993 31.688 29.700 -0.007 0.000 1.221 61 E HN 0.251 nan 8.360 nan 0.000 0.428 62 L N 2.753 123.973 121.223 -0.005 0.000 2.371 62 L HA 0.344 4.684 4.340 0.000 0.000 0.262 62 L C 0.923 177.796 176.870 0.004 0.000 1.006 62 L CA -0.218 54.625 54.840 0.005 0.000 0.818 62 L CB 1.581 43.648 42.059 0.014 0.000 1.354 62 L HN 0.864 nan 8.230 nan 0.000 0.415 63 E N 0.185 120.393 120.200 0.014 0.000 2.250 63 E HA -0.094 4.256 4.350 0.000 0.000 0.192 63 E C 0.201 176.825 176.600 0.041 0.000 0.986 63 E CA 0.134 56.545 56.400 0.018 0.000 0.849 63 E CB 0.464 30.175 29.700 0.018 0.000 0.797 63 E HN 0.595 nan 8.360 nan 0.000 0.482 64 D N 1.292 121.728 120.400 0.060 0.000 2.357 64 D HA -0.055 4.586 4.640 0.000 0.000 0.265 64 D C 0.554 176.918 176.300 0.107 0.000 1.334 64 D CA 0.055 54.125 54.000 0.116 0.000 0.984 64 D CB 0.631 41.500 40.800 0.115 0.000 1.077 64 D HN 0.006 nan 8.370 nan 0.000 0.514 65 K N 3.118 123.561 120.400 0.071 0.000 2.280 65 K HA -0.133 4.187 4.320 0.000 0.000 0.202 65 K C 1.647 178.091 176.600 -0.260 0.000 1.047 65 K CA 0.762 56.968 56.287 -0.136 0.000 0.942 65 K CB -0.215 32.123 32.500 -0.270 0.000 0.739 65 K HN 0.488 nan 8.250 nan 0.000 0.457 66 F N 1.562 121.507 119.950 -0.007 0.000 2.293 66 F HA -0.016 4.511 4.527 -0.001 0.000 0.297 66 F C 2.141 177.938 175.800 -0.006 0.000 1.089 66 F CA 0.745 58.740 58.000 -0.009 0.000 1.377 66 F CB -0.120 38.877 39.000 -0.005 0.000 1.051 66 F HN 0.085 nan 8.300 nan 0.000 0.511 67 E N 0.023 120.314 120.200 0.152 0.000 2.112 67 E HA -0.171 4.179 4.350 0.000 0.000 0.190 67 E C 1.621 178.238 176.600 0.027 0.000 0.979 67 E CA 0.917 57.364 56.400 0.077 0.000 0.814 67 E CB -0.330 29.413 29.700 0.071 0.000 0.762 67 E HN 0.336 nan 8.360 nan 0.000 0.460 68 N N 1.218 119.919 118.700 0.001 0.000 2.069 68 N HA -0.178 4.562 4.740 0.000 0.000 0.191 68 N C 1.819 177.303 175.510 -0.044 0.000 1.031 68 N CA 1.499 54.531 53.050 -0.029 0.000 0.852 68 N CB -0.026 38.430 38.487 -0.051 0.000 1.018 68 N HN 0.042 nan 8.380 nan 0.000 0.423 69 M N -0.678 118.878 119.600 -0.073 0.000 2.108 69 M HA -0.066 4.415 4.480 0.000 0.000 0.261 69 M C 2.212 178.493 176.300 -0.031 0.000 1.066 69 M CA 1.816 57.073 55.300 -0.072 0.000 1.107 69 M CB -0.636 31.895 32.600 -0.115 0.000 1.356 69 M HN 0.332 nan 8.290 nan 0.000 0.406 70 G N -0.179 108.618 108.800 -0.006 0.000 2.421 70 G HA2 -0.151 3.809 3.960 0.000 0.000 0.216 70 G HA3 -0.151 3.809 3.960 0.000 0.000 0.216 70 G C 1.641 176.542 174.900 0.002 0.000 1.171 70 G CA 1.010 46.115 45.100 0.008 0.000 0.775 70 G HN 0.547 nan 8.290 nan 0.000 0.543 71 A N 0.037 122.857 122.820 -0.000 0.000 1.902 71 A HA -0.086 4.234 4.320 0.000 0.000 0.217 71 A C 2.374 179.951 177.584 -0.010 0.000 1.181 71 A CA 1.915 53.950 52.037 -0.003 0.000 0.623 71 A CB -0.408 18.591 19.000 -0.002 0.000 0.818 71 A HN 0.362 nan 8.150 nan 0.000 0.443 72 Q N -0.910 118.878 119.800 -0.019 0.000 2.124 72 Q HA -0.129 4.211 4.340 0.000 0.000 0.202 72 Q C 2.193 178.179 176.000 -0.023 0.000 0.977 72 Q CA 1.510 57.298 55.803 -0.025 0.000 0.850 72 Q CB -0.331 28.386 28.738 -0.035 0.000 0.901 72 Q HN 0.768 nan 8.270 nan 0.000 0.429 73 M N 0.111 119.700 119.600 -0.019 0.000 2.117 73 M HA -0.149 4.332 4.480 0.000 0.000 0.262 73 M C 2.245 178.541 176.300 -0.008 0.000 1.065 73 M CA 1.260 56.552 55.300 -0.013 0.000 1.114 73 M CB -0.249 32.347 32.600 -0.007 0.000 1.361 73 M HN 0.042 nan 8.290 nan 0.000 0.408 74 V N -1.036 118.876 119.914 -0.003 0.000 2.667 74 V HA -0.184 3.936 4.120 0.000 0.000 0.252 74 V C 2.131 178.220 176.094 -0.007 0.000 1.065 74 V CA 1.491 63.791 62.300 0.001 0.000 1.083 74 V CB -1.162 30.664 31.823 0.006 0.000 0.692 74 V HN 0.456 nan 8.190 nan 0.000 0.468 75 K N 0.744 121.135 120.400 -0.014 0.000 2.103 75 K HA -0.265 4.056 4.320 0.000 0.000 0.207 75 K C 2.264 178.843 176.600 -0.036 0.000 1.048 75 K CA 1.979 58.253 56.287 -0.023 0.000 0.930 75 K CB -0.070 32.416 32.500 -0.023 0.000 0.716 75 K HN 0.669 nan 8.250 nan 0.000 0.444 76 E N 0.107 120.284 120.200 -0.039 0.000 2.047 76 E HA -0.168 4.183 4.350 0.000 0.000 0.191 76 E C 1.917 178.467 176.600 -0.082 0.000 0.987 76 E CA 1.189 57.552 56.400 -0.061 0.000 0.799 76 E CB -0.011 29.657 29.700 -0.052 0.000 0.752 76 E HN 0.202 nan 8.360 nan 0.000 0.449 77 V N 0.655 120.543 119.914 -0.042 0.000 2.407 77 V HA -0.221 3.899 4.120 0.000 0.000 0.248 77 V C 2.158 178.237 176.094 -0.025 0.000 1.055 77 V CA 2.205 64.494 62.300 -0.018 0.000 1.049 77 V CB -0.456 31.402 31.823 0.059 0.000 0.662 77 V HN 0.427 nan 8.190 nan 0.000 0.455 78 A N -0.804 122.004 122.820 -0.022 0.000 1.902 78 A HA -0.205 4.115 4.320 0.000 0.000 0.217 78 A C 2.552 180.105 177.584 -0.051 0.000 1.181 78 A CA 2.382 54.406 52.037 -0.021 0.000 0.623 78 A CB -1.117 17.873 19.000 -0.016 0.000 0.818 78 A HN 0.603 nan 8.150 nan 0.000 0.443 79 S N -0.731 114.924 115.700 -0.076 0.000 2.356 79 S HA -0.152 4.318 4.470 0.000 0.000 0.223 79 S C 2.126 176.635 174.600 -0.152 0.000 1.032 79 S CA 1.499 59.642 58.200 -0.096 0.000 1.005 79 S CB -0.262 62.884 63.200 -0.089 0.000 0.867 79 S HN 0.484 nan 8.310 nan 0.000 0.449 80 K N 1.241 121.480 120.400 -0.267 0.000 2.152 80 K HA -0.030 4.291 4.320 0.000 0.000 0.206 80 K C 2.240 178.611 176.600 -0.382 0.000 1.048 80 K CA 1.132 57.091 56.287 -0.548 0.000 0.933 80 K CB -0.742 31.101 32.500 -1.094 0.000 0.721 80 K HN 0.439 nan 8.250 nan 0.000 0.447 81 A N 1.971 124.728 122.820 -0.105 0.000 1.858 81 A HA -0.222 4.098 4.320 0.000 0.000 0.216 81 A C 2.112 179.706 177.584 0.016 0.000 1.190 81 A CA 1.835 53.923 52.037 0.085 0.000 0.617 81 A CB -0.727 18.325 19.000 0.087 0.000 0.827 81 A HN 0.435 nan 8.150 nan 0.000 0.443 82 N N -0.490 118.183 118.700 -0.045 0.000 2.106 82 N HA -0.171 4.570 4.740 0.000 0.000 0.188 82 N C 0.755 176.224 175.510 -0.068 0.000 1.029 82 N CA 1.585 54.585 53.050 -0.083 0.000 0.848 82 N CB -0.194 38.243 38.487 -0.083 0.000 1.007 82 N HN 0.367 nan 8.380 nan 0.000 0.423 83 D N -0.164 120.204 120.400 -0.053 0.000 2.312 83 D HA -0.001 4.640 4.640 0.000 0.000 0.211 83 D C 1.056 177.370 176.300 0.024 0.000 0.964 83 D CA 0.515 54.501 54.000 -0.025 0.000 0.877 83 D CB 0.183 40.946 40.800 -0.063 0.000 0.924 83 D HN 0.399 nan 8.370 nan 0.000 0.515 84 A N -0.662 122.188 122.820 0.051 0.000 2.312 84 A HA 0.611 4.931 4.320 0.000 0.000 0.215 84 A C 1.603 179.293 177.584 0.176 0.000 1.256 84 A CA 0.662 52.779 52.037 0.135 0.000 0.966 84 A CB 0.787 19.912 19.000 0.208 0.000 1.053 84 A HN 0.134 nan 8.150 nan 0.000 0.510 85 A N -2.512 120.402 122.820 0.156 0.000 2.141 85 A HA 0.513 4.833 4.320 0.000 0.000 0.196 85 A C 1.713 179.354 177.584 0.096 0.000 1.502 85 A CA 1.258 53.387 52.037 0.154 0.000 1.075 85 A CB -0.134 18.945 19.000 0.132 0.000 1.217 85 A HN 1.888 nan 8.150 nan 0.000 0.477 86 G N 0.155 108.886 108.800 -0.115 0.000 5.005 86 G HA2 -0.268 3.693 3.960 0.000 0.000 0.251 86 G HA3 -0.268 3.693 3.960 0.000 0.000 0.251 86 G C 0.196 174.962 174.900 -0.223 0.000 1.536 86 G CA 0.491 45.291 45.100 -0.500 0.000 1.060 86 G HN 0.724 nan 8.290 nan 0.000 0.683 87 D N 1.228 121.566 120.400 -0.103 0.000 2.451 87 D HA 0.517 5.157 4.640 0.000 0.000 0.259 87 D C 1.489 177.788 176.300 -0.003 0.000 1.201 87 D CA 1.337 55.314 54.000 -0.038 0.000 1.028 87 D CB 0.546 41.343 40.800 -0.005 0.000 1.095 87 D HN 1.819 nan 8.370 nan 0.000 0.539 88 G N -0.453 108.351 108.800 0.006 0.000 2.143 88 G HA2 -0.317 3.643 3.960 0.000 0.000 0.249 88 G HA3 -0.317 3.643 3.960 0.000 0.000 0.249 88 G C 1.066 175.979 174.900 0.022 0.000 0.981 88 G CA 1.498 46.609 45.100 0.019 0.000 0.665 88 G HN 0.699 nan 8.290 nan 0.000 0.528 89 T N -2.467 112.092 114.554 0.008 0.000 2.684 89 T HA -0.147 4.204 4.350 0.000 0.000 0.267 89 T C 2.227 176.933 174.700 0.011 0.000 1.036 89 T CA 2.612 64.716 62.100 0.006 0.000 1.148 89 T CB -0.767 68.093 68.868 -0.013 0.000 0.863 89 T HN 0.351 nan 8.240 nan 0.000 0.436 90 T N 1.955 116.513 114.554 0.007 0.000 2.708 90 T HA -0.101 4.250 4.350 0.000 0.000 0.266 90 T C 2.281 176.990 174.700 0.015 0.000 1.037 90 T CA 1.919 64.025 62.100 0.009 0.000 1.146 90 T CB -1.031 67.840 68.868 0.005 0.000 0.865 90 T HN 0.566 nan 8.240 nan 0.000 0.435 91 T N 2.184 116.748 114.554 0.017 0.000 2.684 91 T HA -0.075 4.275 4.350 0.000 0.000 0.267 91 T C 2.416 177.132 174.700 0.027 0.000 1.036 91 T CA 1.227 63.339 62.100 0.020 0.000 1.148 91 T CB -0.642 68.238 68.868 0.019 0.000 0.863 91 T HN 0.442 nan 8.240 nan 0.000 0.436 92 A N 1.458 124.301 122.820 0.039 0.000 1.908 92 A HA -0.153 4.167 4.320 0.000 0.000 0.218 92 A C 2.571 180.182 177.584 0.046 0.000 1.181 92 A CA 2.174 54.245 52.037 0.056 0.000 0.627 92 A CB -1.272 17.782 19.000 0.090 0.000 0.818 92 A HN 0.504 nan 8.150 nan 0.000 0.445 93 T N -0.575 113.999 114.554 0.032 0.000 2.777 93 T HA -0.077 4.274 4.350 0.000 0.000 0.266 93 T C 1.877 176.589 174.700 0.021 0.000 1.040 93 T CA 1.362 63.476 62.100 0.024 0.000 1.141 93 T CB -0.405 68.472 68.868 0.015 0.000 0.868 93 T HN 0.143 nan 8.240 nan 0.000 0.444 94 V N 1.652 121.577 119.914 0.019 0.000 2.287 94 V HA -0.135 3.986 4.120 0.000 0.000 0.248 94 V C 2.506 178.611 176.094 0.018 0.000 1.053 94 V CA 1.545 63.854 62.300 0.016 0.000 1.027 94 V CB -0.667 31.165 31.823 0.014 0.000 0.646 94 V HN 0.431 nan 8.190 nan 0.000 0.447 95 L N -0.230 121.005 121.223 0.021 0.000 2.046 95 L HA -0.162 4.178 4.340 0.000 0.000 0.208 95 L C 2.725 179.609 176.870 0.023 0.000 1.077 95 L CA 1.484 56.336 54.840 0.020 0.000 0.747 95 L CB -0.818 41.254 42.059 0.020 0.000 0.896 95 L HN 0.373 nan 8.230 nan 0.000 0.432 96 A N 0.796 123.633 122.820 0.029 0.000 1.851 96 A HA -0.297 4.024 4.320 0.000 0.000 0.216 96 A C 2.246 179.843 177.584 0.023 0.000 1.195 96 A CA 2.027 54.082 52.037 0.030 0.000 0.622 96 A CB -0.768 18.253 19.000 0.035 0.000 0.831 96 A HN 0.623 nan 8.150 nan 0.000 0.444 97 Q N -0.702 119.110 119.800 0.019 0.000 2.170 97 Q HA 0.055 4.395 4.340 0.000 0.000 0.203 97 Q C 1.954 177.963 176.000 0.015 0.000 0.976 97 Q CA 1.705 57.518 55.803 0.017 0.000 0.858 97 Q CB -0.510 28.237 28.738 0.015 0.000 0.907 97 Q HN 0.502 nan 8.270 nan 0.000 0.433 98 A N 1.463 124.292 122.820 0.015 0.000 1.872 98 A HA -0.054 4.266 4.320 0.000 0.000 0.214 98 A C 2.143 179.736 177.584 0.014 0.000 1.187 98 A CA 1.213 53.258 52.037 0.013 0.000 0.614 98 A CB -0.556 18.452 19.000 0.013 0.000 0.826 98 A HN 0.413 nan 8.150 nan 0.000 0.442 99 I N -0.329 120.250 120.570 0.015 0.000 2.315 99 I HA -0.231 3.939 4.170 0.000 0.000 0.248 99 I C 2.237 178.363 176.117 0.015 0.000 1.117 99 I CA 1.061 62.370 61.300 0.015 0.000 1.404 99 I CB -0.346 37.663 38.000 0.016 0.000 1.071 99 I HN 0.293 nan 8.210 nan 0.000 0.419 100 I N 0.452 121.032 120.570 0.017 0.000 2.163 100 I HA -0.298 3.873 4.170 0.000 0.000 0.243 100 I C 2.583 178.710 176.117 0.016 0.000 1.085 100 I CA 1.706 63.017 61.300 0.017 0.000 1.347 100 I CB -0.600 37.411 38.000 0.018 0.000 1.044 100 I HN 0.218 nan 8.210 nan 0.000 0.408 101 T N 0.053 114.616 114.554 0.015 0.000 2.674 101 T HA -0.152 4.198 4.350 0.000 0.000 0.265 101 T C 1.783 176.491 174.700 0.012 0.000 1.039 101 T CA 1.220 63.328 62.100 0.013 0.000 1.150 101 T CB -0.196 68.680 68.868 0.012 0.000 0.864 101 T HN 0.270 nan 8.240 nan 0.000 0.427 102 E N 0.604 120.811 120.200 0.012 0.000 2.268 102 E HA 0.017 4.367 4.350 0.000 0.000 0.195 102 E C 2.378 178.985 176.600 0.011 0.000 0.995 102 E CA 0.725 57.131 56.400 0.011 0.000 0.836 102 E CB -0.553 29.153 29.700 0.010 0.000 0.763 102 E HN 0.593 nan 8.360 nan 0.000 0.491 103 G N 0.727 109.535 108.800 0.012 0.000 2.411 103 G HA2 -0.106 3.854 3.960 0.000 0.000 0.213 103 G HA3 -0.106 3.854 3.960 0.000 0.000 0.213 103 G C 1.725 176.634 174.900 0.014 0.000 1.166 103 G CA -0.024 45.084 45.100 0.013 0.000 0.802 103 G HN 0.144 nan 8.290 nan 0.000 0.533 104 L N 0.365 121.597 121.223 0.015 0.000 2.042 104 L HA -0.099 4.242 4.340 0.000 0.000 0.210 104 L C 2.803 179.682 176.870 0.014 0.000 1.076 104 L CA 1.593 56.442 54.840 0.016 0.000 0.749 104 L CB -0.312 41.758 42.059 0.017 0.000 0.893 104 L HN 0.215 nan 8.230 nan 0.000 0.432 105 K N 0.144 120.551 120.400 0.013 0.000 2.113 105 K HA -0.227 4.093 4.320 0.000 0.000 0.208 105 K C 2.040 178.646 176.600 0.010 0.000 1.047 105 K CA 1.464 57.757 56.287 0.011 0.000 0.928 105 K CB -0.034 32.472 32.500 0.010 0.000 0.716 105 K HN 0.324 nan 8.250 nan 0.000 0.446 106 A N 0.285 123.112 122.820 0.011 0.000 1.874 106 A HA -0.045 4.275 4.320 0.000 0.000 0.214 106 A C 2.195 179.785 177.584 0.012 0.000 1.189 106 A CA 1.121 53.164 52.037 0.010 0.000 0.615 106 A CB -0.505 18.501 19.000 0.010 0.000 0.830 106 A HN 0.135 nan 8.150 nan 0.000 0.443 107 V N 0.110 120.032 119.914 0.013 0.000 2.282 107 V HA -0.291 3.829 4.120 0.000 0.000 0.249 107 V C 2.981 179.084 176.094 0.015 0.000 1.057 107 V CA 2.155 64.464 62.300 0.015 0.000 1.032 107 V CB -1.097 30.736 31.823 0.018 0.000 0.645 107 V HN 0.599 nan 8.190 nan 0.000 0.447 108 A N -0.622 122.207 122.820 0.015 0.000 2.067 108 A HA 0.170 4.491 4.320 0.000 0.000 0.217 108 A C 2.259 179.850 177.584 0.011 0.000 1.156 108 A CA 1.359 53.405 52.037 0.014 0.000 0.683 108 A CB -0.440 18.568 19.000 0.014 0.000 0.808 108 A HN 0.557 nan 8.150 nan 0.000 0.455 109 A N -1.678 121.148 122.820 0.010 0.000 2.119 109 A HA 0.392 4.713 4.320 0.000 0.000 0.216 109 A C 1.712 179.301 177.584 0.009 0.000 1.152 109 A CA 1.440 53.483 52.037 0.009 0.000 0.708 109 A CB -0.537 18.468 19.000 0.008 0.000 0.805 109 A HN 1.719 nan 8.150 nan 0.000 0.460 110 G N -2.637 106.169 108.800 0.010 0.000 2.164 110 G HA2 -0.123 3.837 3.960 0.000 0.000 0.154 110 G HA3 -0.123 3.837 3.960 0.000 0.000 0.154 110 G C -0.047 174.859 174.900 0.010 0.000 1.014 110 G CA 0.006 45.112 45.100 0.010 0.000 0.683 110 G HN 0.220 nan 8.290 nan 0.000 0.500 111 M N 1.341 120.947 119.600 0.010 0.000 2.243 111 M HA 0.323 4.803 4.480 0.000 0.000 0.341 111 M C 0.780 177.087 176.300 0.011 0.000 1.130 111 M CA -0.641 54.665 55.300 0.010 0.000 1.162 111 M CB 0.358 32.963 32.600 0.009 0.000 1.497 111 M HN 0.233 nan 8.290 nan 0.000 0.456 112 N N 3.987 122.693 118.700 0.011 0.000 2.394 112 N HA -0.026 4.714 4.740 0.000 0.000 0.277 112 N C -2.060 173.457 175.510 0.012 0.000 1.346 112 N CA -0.946 52.111 53.050 0.011 0.000 0.910 112 N CB 0.406 38.899 38.487 0.010 0.000 1.201 112 N HN 0.309 nan 8.380 nan 0.000 0.488 113 P HA -0.125 nan 4.420 nan 0.000 0.216 113 P C 1.298 178.606 177.300 0.013 0.000 1.150 113 P CA 1.101 64.210 63.100 0.015 0.000 0.837 113 P CB 0.148 31.858 31.700 0.017 0.000 0.786 114 M N -0.951 118.657 119.600 0.013 0.000 2.388 114 M HA -0.013 4.467 4.480 0.000 0.000 0.265 114 M C 1.305 177.612 176.300 0.010 0.000 1.088 114 M CA 1.558 56.865 55.300 0.012 0.000 1.134 114 M CB -0.779 31.828 32.600 0.012 0.000 1.384 114 M HN -0.227 nan 8.290 nan 0.000 0.447 115 D N -0.265 120.141 120.400 0.010 0.000 2.348 115 D HA -0.050 4.590 4.640 0.000 0.000 0.216 115 D C 1.826 178.131 176.300 0.008 0.000 0.970 115 D CA 0.783 54.788 54.000 0.009 0.000 0.889 115 D CB 0.109 40.914 40.800 0.008 0.000 0.912 115 D HN 0.392 nan 8.370 nan 0.000 0.524 116 L N 0.832 122.060 121.223 0.009 0.000 2.017 116 L HA -0.182 4.159 4.340 0.000 0.000 0.208 116 L C 2.614 179.489 176.870 0.009 0.000 1.073 116 L CA 1.174 56.020 54.840 0.009 0.000 0.745 116 L CB -0.372 41.693 42.059 0.011 0.000 0.894 116 L HN -0.085 nan 8.230 nan 0.000 0.432 117 K N 0.485 120.891 120.400 0.010 0.000 2.057 117 K HA -0.178 4.142 4.320 0.000 0.000 0.207 117 K C 2.276 178.881 176.600 0.008 0.000 1.049 117 K CA 1.337 57.630 56.287 0.010 0.000 0.931 117 K CB 0.023 32.530 32.500 0.012 0.000 0.714 117 K HN 0.197 nan 8.250 nan 0.000 0.440 118 R N -0.701 119.803 120.500 0.008 0.000 2.159 118 R HA -0.093 4.247 4.340 0.000 0.000 0.237 118 R C 2.292 178.595 176.300 0.005 0.000 1.131 118 R CA 1.208 57.312 56.100 0.006 0.000 0.982 118 R CB -0.226 30.078 30.300 0.007 0.000 0.868 118 R HN 0.335 nan 8.270 nan 0.000 0.453 119 G N 0.627 109.430 108.800 0.005 0.000 2.459 119 G HA2 -0.102 3.858 3.960 0.000 0.000 0.213 119 G HA3 -0.102 3.858 3.960 0.000 0.000 0.213 119 G C 1.415 176.317 174.900 0.003 0.000 1.155 119 G CA -0.002 45.100 45.100 0.004 0.000 0.811 119 G HN 0.091 nan 8.290 nan 0.000 0.534 120 I N 1.287 121.860 120.570 0.004 0.000 2.127 120 I HA -0.173 3.998 4.170 0.000 0.000 0.241 120 I C 2.326 178.443 176.117 -0.000 0.000 1.075 120 I CA 1.384 62.685 61.300 0.003 0.000 1.334 120 I CB -0.172 37.832 38.000 0.006 0.000 1.040 120 I HN 0.034 nan 8.210 nan 0.000 0.405 121 D N 0.696 121.096 120.400 0.001 0.000 2.123 121 D HA -0.233 4.408 4.640 0.000 0.000 0.196 121 D C 2.092 178.390 176.300 -0.004 0.000 0.992 121 D CA 1.266 55.265 54.000 -0.002 0.000 0.833 121 D CB -0.232 40.569 40.800 0.002 0.000 0.954 121 D HN 0.229 nan 8.370 nan 0.000 0.455 122 K N 0.186 120.584 120.400 -0.002 0.000 2.147 122 K HA -0.046 4.274 4.320 0.000 0.000 0.205 122 K C 1.895 178.493 176.600 -0.004 0.000 1.049 122 K CA 1.126 57.412 56.287 -0.003 0.000 0.936 122 K CB 0.000 32.500 32.500 -0.000 0.000 0.722 122 K HN 0.068 nan 8.250 nan 0.000 0.446 123 A N 0.345 123.163 122.820 -0.004 0.000 1.968 123 A HA -0.054 4.266 4.320 0.000 0.000 0.217 123 A C 2.136 179.715 177.584 -0.009 0.000 1.169 123 A CA 1.125 53.159 52.037 -0.005 0.000 0.638 123 A CB -0.383 18.615 19.000 -0.002 0.000 0.812 123 A HN 0.141 nan 8.150 nan 0.000 0.446 124 V N 0.071 119.977 119.914 -0.013 0.000 2.287 124 V HA -0.263 3.857 4.120 0.000 0.000 0.248 124 V C 2.759 178.838 176.094 -0.024 0.000 1.053 124 V CA 2.560 64.846 62.300 -0.023 0.000 1.027 124 V CB -1.417 30.388 31.823 -0.030 0.000 0.646 124 V HN 0.616 nan 8.190 nan 0.000 0.447 125 T N 0.680 115.223 114.554 -0.018 0.000 2.607 125 T HA -0.273 4.077 4.350 0.000 0.000 0.267 125 T C 2.077 176.769 174.700 -0.013 0.000 1.049 125 T CA 2.009 64.099 62.100 -0.016 0.000 1.162 125 T CB -0.643 68.219 68.868 -0.010 0.000 0.863 125 T HN 0.591 nan 8.240 nan 0.000 0.424 126 A N 1.618 124.432 122.820 -0.010 0.000 1.865 126 A HA 0.054 4.374 4.320 0.000 0.000 0.217 126 A C 2.697 180.276 177.584 -0.008 0.000 1.191 126 A CA 2.232 54.265 52.037 -0.007 0.000 0.623 126 A CB -1.308 17.689 19.000 -0.004 0.000 0.826 126 A HN 0.554 nan 8.150 nan 0.000 0.444 127 A N -0.788 122.026 122.820 -0.011 0.000 1.902 127 A HA -0.005 4.315 4.320 0.000 0.000 0.217 127 A C 2.249 179.823 177.584 -0.016 0.000 1.181 127 A CA 1.839 53.869 52.037 -0.012 0.000 0.623 127 A CB -0.988 18.004 19.000 -0.014 0.000 0.818 127 A HN 0.427 nan 8.150 nan 0.000 0.443 128 V N 0.206 120.106 119.914 -0.024 0.000 2.343 128 V HA -0.200 3.921 4.120 0.000 0.000 0.247 128 V C 2.566 178.649 176.094 -0.019 0.000 1.051 128 V CA 2.139 64.422 62.300 -0.029 0.000 1.036 128 V CB -0.638 31.162 31.823 -0.039 0.000 0.654 128 V HN 0.511 nan 8.190 nan 0.000 0.451 129 E N -0.423 119.769 120.200 -0.014 0.000 2.107 129 E HA -0.126 4.224 4.350 0.000 0.000 0.191 129 E C 2.309 178.905 176.600 -0.006 0.000 0.982 129 E CA 0.647 57.042 56.400 -0.009 0.000 0.809 129 E CB -0.164 29.532 29.700 -0.008 0.000 0.756 129 E HN 0.591 nan 8.360 nan 0.000 0.459 130 E N 0.837 121.034 120.200 -0.005 0.000 2.077 130 E HA -0.106 4.245 4.350 0.000 0.000 0.193 130 E C 2.415 179.014 176.600 -0.001 0.000 0.989 130 E CA 0.459 56.858 56.400 -0.001 0.000 0.800 130 E CB -0.280 29.420 29.700 0.000 0.000 0.746 130 E HN 0.271 nan 8.360 nan 0.000 0.452 131 L N 0.624 121.845 121.223 -0.004 0.000 2.083 131 L HA -0.206 4.134 4.340 0.000 0.000 0.209 131 L C 2.435 179.304 176.870 -0.003 0.000 1.083 131 L CA 1.131 55.969 54.840 -0.003 0.000 0.752 131 L CB -0.246 41.808 42.059 -0.008 0.000 0.899 131 L HN 0.020 nan 8.230 nan 0.000 0.433 132 K N 0.079 120.476 120.400 -0.005 0.000 2.025 132 K HA -0.089 4.232 4.320 0.000 0.000 0.207 132 K C 2.163 178.762 176.600 -0.001 0.000 1.049 132 K CA 1.413 57.698 56.287 -0.003 0.000 0.933 132 K CB -0.464 32.032 32.500 -0.005 0.000 0.714 132 K HN 0.248 nan 8.250 nan 0.000 0.438 133 A N 0.032 122.852 122.820 -0.000 0.000 1.978 133 A HA -0.123 4.197 4.320 0.000 0.000 0.220 133 A C 1.709 179.295 177.584 0.004 0.000 1.170 133 A CA 1.369 53.407 52.037 0.002 0.000 0.636 133 A CB -0.380 18.621 19.000 0.002 0.000 0.810 133 A HN 0.175 nan 8.150 nan 0.000 0.448 134 L N -0.461 120.764 121.223 0.005 0.000 2.558 134 L HA 0.166 4.506 4.340 0.000 0.000 0.225 134 L C 1.300 178.174 176.870 0.007 0.000 1.128 134 L CA 0.592 55.437 54.840 0.007 0.000 0.868 134 L CB -0.308 41.757 42.059 0.009 0.000 1.006 134 L HN 0.207 nan 8.230 nan 0.000 0.454 135 S N 0.180 115.883 115.700 0.005 0.000 2.437 135 S HA 0.125 4.596 4.470 0.000 0.000 0.304 135 S C 0.070 174.674 174.600 0.006 0.000 1.167 135 S CA -0.408 57.795 58.200 0.005 0.000 1.106 135 S CB 0.090 63.292 63.200 0.003 0.000 1.099 135 S HN 0.073 nan 8.310 nan 0.000 0.524 136 V N 9.315 129.233 119.914 0.008 0.000 2.434 136 V HA 0.258 4.378 4.120 0.000 0.000 0.281 136 V C -1.634 174.464 176.094 0.006 0.000 1.005 136 V CA -0.759 61.545 62.300 0.007 0.000 1.089 136 V CB 0.132 31.959 31.823 0.007 0.000 0.978 136 V HN 0.938 nan 8.190 nan 0.000 0.474 137 P HA -0.234 nan 4.420 nan 0.000 0.071 137 P C 0.443 177.746 177.300 0.005 0.000 1.066 137 P CA 1.218 64.321 63.100 0.004 0.000 0.888 137 P CB -1.875 29.826 31.700 0.003 0.000 1.605 138 C N 1.031 120.334 119.300 0.005 0.000 2.590 138 C HA 0.296 4.757 4.460 0.000 0.000 0.411 138 C C 1.947 176.939 174.990 0.004 0.000 1.420 138 C CA 1.350 60.372 59.018 0.005 0.000 1.643 138 C CB -1.101 26.643 27.740 0.007 0.000 2.528 138 C HN 0.612 nan 8.230 nan 0.000 0.606 139 S N 1.369 117.070 115.700 0.003 0.000 1.913 139 S HA 0.045 4.515 4.470 0.000 0.000 0.231 139 S C -0.411 174.190 174.600 0.001 0.000 0.854 139 S CA 0.219 58.420 58.200 0.002 0.000 1.513 139 S CB -0.934 62.266 63.200 0.001 0.000 1.020 139 S HN 0.855 nan 8.310 nan 0.000 0.455 140 D N 2.300 122.701 120.400 0.002 0.000 2.362 140 D HA 0.563 5.203 4.640 0.000 0.000 0.242 140 D C 0.992 177.292 176.300 0.001 0.000 1.132 140 D CA 0.046 54.047 54.000 0.001 0.000 0.907 140 D CB 0.976 41.777 40.800 0.002 0.000 1.195 140 D HN 0.005 nan 8.370 nan 0.000 0.429 141 S N 0.715 116.416 115.700 0.001 0.000 2.399 141 S HA -0.199 4.272 4.470 0.000 0.000 0.231 141 S C 1.598 176.198 174.600 0.000 0.000 1.022 141 S CA 1.054 59.254 58.200 0.000 0.000 0.983 141 S CB -0.332 62.868 63.200 -0.000 0.000 0.803 141 S HN 0.654 nan 8.310 nan 0.000 0.480 142 K N 1.581 121.981 120.400 0.000 0.000 2.062 142 K HA 0.036 4.356 4.320 0.000 0.000 0.205 142 K C 2.264 178.864 176.600 0.000 0.000 1.051 142 K CA 1.015 57.301 56.287 -0.000 0.000 0.941 142 K CB -0.363 32.137 32.500 -0.000 0.000 0.719 142 K HN 0.268 nan 8.250 nan 0.000 0.440 143 A N 1.473 124.294 122.820 0.001 0.000 1.883 143 A HA -0.148 4.172 4.320 0.000 0.000 0.217 143 A C 2.098 179.684 177.584 0.003 0.000 1.186 143 A CA 1.590 53.628 52.037 0.002 0.000 0.624 143 A CB -0.647 18.355 19.000 0.003 0.000 0.822 143 A HN 0.359 nan 8.150 nan 0.000 0.444 144 I N -0.257 120.315 120.570 0.003 0.000 2.127 144 I HA -0.309 3.861 4.170 0.000 0.000 0.241 144 I C 2.984 179.103 176.117 0.004 0.000 1.075 144 I CA 1.206 62.508 61.300 0.004 0.000 1.334 144 I CB -0.380 37.622 38.000 0.003 0.000 1.040 144 I HN 0.363 nan 8.210 nan 0.000 0.405 145 A N -0.049 122.772 122.820 0.002 0.000 1.972 145 A HA -0.258 4.062 4.320 0.000 0.000 0.219 145 A C 2.240 179.824 177.584 0.000 0.000 1.169 145 A CA 1.602 53.639 52.037 0.001 0.000 0.635 145 A CB -0.564 18.436 19.000 -0.000 0.000 0.810 145 A HN 0.492 nan 8.150 nan 0.000 0.446 146 Q N -0.427 119.373 119.800 -0.001 0.000 2.046 146 Q HA -0.121 4.220 4.340 0.000 0.000 0.200 146 Q C 2.249 178.249 176.000 -0.001 0.000 0.975 146 Q CA 2.054 57.856 55.803 -0.003 0.000 0.836 146 Q CB -0.484 28.252 28.738 -0.004 0.000 0.896 146 Q HN 0.734 nan 8.270 nan 0.000 0.428 147 V N -2.209 117.707 119.914 0.003 0.000 2.490 147 V HA -0.076 4.044 4.120 0.000 0.000 0.250 147 V C 1.987 178.087 176.094 0.010 0.000 1.061 147 V CA 1.984 64.288 62.300 0.007 0.000 1.064 147 V CB -1.458 30.372 31.823 0.012 0.000 0.670 147 V HN 0.354 nan 8.190 nan 0.000 0.461 148 G N 0.160 108.966 108.800 0.010 0.000 2.402 148 G HA2 -0.181 3.779 3.960 0.000 0.000 0.216 148 G HA3 -0.181 3.779 3.960 0.000 0.000 0.216 148 G C 1.556 176.460 174.900 0.006 0.000 1.162 148 G CA 1.423 46.529 45.100 0.011 0.000 0.777 148 G HN 0.493 nan 8.290 nan 0.000 0.539 149 T N 1.374 115.929 114.554 0.002 0.000 2.708 149 T HA -0.107 4.244 4.350 0.000 0.000 0.266 149 T C 2.340 177.038 174.700 -0.004 0.000 1.037 149 T CA 1.098 63.196 62.100 -0.003 0.000 1.146 149 T CB -0.129 68.735 68.868 -0.007 0.000 0.865 149 T HN 0.108 nan 8.240 nan 0.000 0.435 150 I N 0.930 121.497 120.570 -0.004 0.000 2.202 150 I HA -0.103 4.068 4.170 0.000 0.000 0.242 150 I C 2.699 178.815 176.117 -0.001 0.000 1.091 150 I CA 1.070 62.367 61.300 -0.005 0.000 1.368 150 I CB -0.769 37.228 38.000 -0.006 0.000 1.058 150 I HN 0.156 nan 8.210 nan 0.000 0.410 151 S N 0.149 115.852 115.700 0.005 0.000 2.368 151 S HA -0.113 4.357 4.470 0.000 0.000 0.225 151 S C 2.086 176.689 174.600 0.006 0.000 1.030 151 S CA 1.165 59.370 58.200 0.008 0.000 0.999 151 S CB -0.374 62.836 63.200 0.017 0.000 0.844 151 S HN 0.438 nan 8.310 nan 0.000 0.459 152 A N 1.007 123.830 122.820 0.006 0.000 2.255 152 A HA 0.168 4.489 4.320 0.000 0.000 0.206 152 A C 0.853 178.437 177.584 -0.001 0.000 1.193 152 A CA 0.702 52.742 52.037 0.004 0.000 0.794 152 A CB -0.881 18.122 19.000 0.005 0.000 0.794 152 A HN 0.806 nan 8.150 nan 0.000 0.481 153 N N -0.961 117.738 118.700 -0.003 0.000 2.862 153 N HA -0.185 4.555 4.740 0.000 0.000 0.246 153 N C -0.348 175.157 175.510 -0.009 0.000 1.111 153 N CA 0.563 53.609 53.050 -0.006 0.000 0.688 153 N CB -1.326 37.158 38.487 -0.005 0.000 1.018 153 N HN 0.382 nan 8.380 nan 0.000 0.556 154 S N -0.037 115.657 115.700 -0.011 0.000 3.968 154 S HA -0.168 4.303 4.470 0.000 0.000 0.373 154 S C -0.776 173.816 174.600 -0.012 0.000 0.974 154 S CA 0.857 59.048 58.200 -0.015 0.000 1.124 154 S CB -0.734 62.453 63.200 -0.021 0.000 0.862 154 S HN 0.634 nan 8.310 nan 0.000 0.492 155 D N 0.956 121.351 120.400 -0.008 0.000 2.477 155 D HA 0.281 4.921 4.640 0.000 0.000 0.239 155 D C 1.069 177.366 176.300 -0.005 0.000 1.102 155 D CA -0.508 53.489 54.000 -0.006 0.000 0.901 155 D CB 0.578 41.377 40.800 -0.003 0.000 1.026 155 D HN 0.477 nan 8.370 nan 0.000 0.515 156 E N 0.831 121.027 120.200 -0.007 0.000 2.204 156 E HA -0.143 4.208 4.350 0.000 0.000 0.195 156 E C 1.548 178.146 176.600 -0.004 0.000 0.990 156 E CA 1.305 57.701 56.400 -0.006 0.000 0.821 156 E CB 0.272 29.967 29.700 -0.008 0.000 0.750 156 E HN 0.554 nan 8.360 nan 0.000 0.477 157 T N -0.050 114.502 114.554 -0.003 0.000 2.737 157 T HA -0.113 4.238 4.350 0.000 0.000 0.265 157 T C 2.196 176.896 174.700 0.000 0.000 1.038 157 T CA 0.943 63.042 62.100 -0.002 0.000 1.144 157 T CB -0.566 68.301 68.868 -0.002 0.000 0.866 157 T HN -0.034 nan 8.240 nan 0.000 0.434 158 V N 1.950 121.864 119.914 0.001 0.000 2.427 158 V HA -0.017 4.104 4.120 0.000 0.000 0.248 158 V C 3.000 179.097 176.094 0.004 0.000 1.051 158 V CA 1.809 64.111 62.300 0.004 0.000 1.048 158 V CB -1.462 30.364 31.823 0.005 0.000 0.666 158 V HN 0.668 nan 8.190 nan 0.000 0.456 159 G N 0.006 108.807 108.800 0.003 0.000 2.421 159 G HA2 -0.329 3.631 3.960 0.000 0.000 0.216 159 G HA3 -0.329 3.631 3.960 0.000 0.000 0.216 159 G C 1.587 176.488 174.900 0.002 0.000 1.171 159 G CA 1.226 46.328 45.100 0.003 0.000 0.775 159 G HN 0.465 nan 8.290 nan 0.000 0.543 160 K N 0.145 120.546 120.400 0.000 0.000 2.026 160 K HA -0.020 4.300 4.320 0.000 0.000 0.208 160 K C 2.322 178.923 176.600 0.001 0.000 1.048 160 K CA 1.078 57.365 56.287 -0.000 0.000 0.929 160 K CB -0.726 31.773 32.500 -0.001 0.000 0.713 160 K HN 0.239 nan 8.250 nan 0.000 0.439 161 L N 0.719 121.943 121.223 0.002 0.000 2.017 161 L HA -0.043 4.297 4.340 0.000 0.000 0.208 161 L C 2.054 178.926 176.870 0.003 0.000 1.073 161 L CA 1.702 56.543 54.840 0.002 0.000 0.745 161 L CB -0.437 41.624 42.059 0.003 0.000 0.894 161 L HN 0.304 nan 8.230 nan 0.000 0.432 162 I N -0.496 120.077 120.570 0.005 0.000 2.226 162 I HA -0.285 3.885 4.170 0.000 0.000 0.245 162 I C 2.582 178.701 176.117 0.004 0.000 1.100 162 I CA 1.168 62.472 61.300 0.006 0.000 1.374 162 I CB -0.672 37.334 38.000 0.010 0.000 1.057 162 I HN 0.362 nan 8.210 nan 0.000 0.413 163 A N 0.354 123.176 122.820 0.003 0.000 1.902 163 A HA -0.221 4.099 4.320 0.000 0.000 0.217 163 A C 2.182 179.766 177.584 0.000 0.000 1.181 163 A CA 1.621 53.659 52.037 0.002 0.000 0.623 163 A CB -0.569 18.431 19.000 0.001 0.000 0.818 163 A HN 0.449 nan 8.150 nan 0.000 0.443 164 E N -0.584 119.616 120.200 0.000 0.000 2.347 164 E HA 0.001 4.351 4.350 0.000 0.000 0.196 164 E C 2.037 178.637 176.600 -0.001 0.000 1.008 164 E CA 0.563 56.963 56.400 -0.000 0.000 0.852 164 E CB -0.130 29.570 29.700 -0.001 0.000 0.783 164 E HN 0.657 nan 8.360 nan 0.000 0.505 165 A N 0.717 123.537 122.820 -0.000 0.000 1.911 165 A HA -0.025 4.295 4.320 0.000 0.000 0.212 165 A C 2.073 179.656 177.584 -0.002 0.000 1.189 165 A CA 0.409 52.446 52.037 -0.001 0.000 0.639 165 A CB -0.178 18.823 19.000 0.001 0.000 0.839 165 A HN 0.085 nan 8.150 nan 0.000 0.449 166 M N -0.345 119.254 119.600 -0.002 0.000 2.202 166 M HA -0.191 4.289 4.480 0.000 0.000 0.262 166 M C 1.740 178.038 176.300 -0.003 0.000 1.063 166 M CA 1.954 57.252 55.300 -0.003 0.000 1.097 166 M CB -0.573 32.026 32.600 -0.002 0.000 1.382 166 M HN 0.501 nan 8.290 nan 0.000 0.413 167 D N 0.373 120.771 120.400 -0.002 0.000 2.265 167 D HA -0.160 4.480 4.640 0.000 0.000 0.208 167 D C 1.576 177.874 176.300 -0.003 0.000 0.977 167 D CA 1.354 55.352 54.000 -0.003 0.000 0.871 167 D CB 0.284 41.083 40.800 -0.002 0.000 0.925 167 D HN 0.192 nan 8.370 nan 0.000 0.485 168 K N -1.082 119.316 120.400 -0.004 0.000 2.329 168 K HA 0.139 4.459 4.320 0.000 0.000 0.198 168 K C 1.819 178.416 176.600 -0.005 0.000 1.085 168 K CA 0.696 56.980 56.287 -0.004 0.000 0.961 168 K CB 0.344 32.841 32.500 -0.004 0.000 0.971 168 K HN 0.133 nan 8.250 nan 0.000 0.502 169 V N -2.121 117.790 119.914 -0.005 0.000 3.235 169 V HA 0.369 4.489 4.120 0.000 0.000 0.259 169 V C 0.796 176.885 176.094 -0.007 0.000 1.133 169 V CA 0.422 62.718 62.300 -0.006 0.000 1.128 169 V CB -0.909 30.910 31.823 -0.007 0.000 0.757 169 V HN 0.283 nan 8.190 nan 0.000 0.469 170 G N 0.621 109.417 108.800 -0.007 0.000 2.781 170 G HA2 -0.219 3.742 3.960 0.000 0.000 0.683 170 G HA3 -0.219 3.742 3.960 0.000 0.000 0.683 170 G C 0.109 175.003 174.900 -0.009 0.000 1.390 170 G CA 0.081 45.177 45.100 -0.007 0.000 0.850 170 G HN 0.404 nan 8.290 nan 0.000 0.557 171 K N 0.161 120.556 120.400 -0.009 0.000 2.077 171 K HA -0.189 4.132 4.320 0.000 0.000 0.213 171 K C 1.866 178.457 176.600 -0.015 0.000 1.051 171 K CA 2.313 58.593 56.287 -0.010 0.000 0.929 171 K CB -0.053 32.442 32.500 -0.009 0.000 0.715 171 K HN 0.644 nan 8.250 nan 0.000 0.451 172 E N -0.201 119.989 120.200 -0.016 0.000 2.538 172 E HA 0.104 4.455 4.350 0.000 0.000 0.207 172 E C 0.448 177.035 176.600 -0.022 0.000 1.002 172 E CA -0.456 55.931 56.400 -0.021 0.000 0.952 172 E CB 1.064 30.752 29.700 -0.020 0.000 1.031 172 E HN 0.268 nan 8.360 nan 0.000 0.476 173 G N 0.717 109.506 108.800 -0.018 0.000 2.616 173 G HA2 0.285 4.245 3.960 0.000 0.000 0.268 173 G HA3 0.285 4.245 3.960 0.000 0.000 0.268 173 G C -0.107 174.783 174.900 -0.017 0.000 1.213 173 G CA -0.416 44.675 45.100 -0.016 0.000 0.926 173 G HN -0.017 nan 8.290 nan 0.000 0.523 174 V N 0.471 120.377 119.914 -0.014 0.000 2.472 174 V HA 0.522 4.642 4.120 0.000 0.000 0.290 174 V C -0.010 176.080 176.094 -0.007 0.000 1.037 174 V CA -0.212 62.081 62.300 -0.013 0.000 0.908 174 V CB 1.150 32.966 31.823 -0.011 0.000 0.985 174 V HN 0.508 nan 8.190 nan 0.000 0.454 175 I N 3.981 124.549 120.570 -0.004 0.000 2.571 175 I HA 0.543 4.713 4.170 0.000 0.000 0.289 175 I C -0.001 176.120 176.117 0.007 0.000 1.115 175 I CA -0.338 60.963 61.300 0.002 0.000 1.045 175 I CB 2.455 40.456 38.000 0.002 0.000 1.238 175 I HN 0.710 nan 8.210 nan 0.000 0.424 176 T N 2.023 116.583 114.554 0.011 0.000 2.883 176 T HA 0.832 5.182 4.350 0.000 0.000 0.284 176 T C -0.847 173.864 174.700 0.017 0.000 1.041 176 T CA -0.996 61.114 62.100 0.018 0.000 1.007 176 T CB 2.391 71.271 68.868 0.020 0.000 1.220 176 T HN 0.413 nan 8.240 nan 0.000 0.552 177 V N 0.813 120.739 119.914 0.020 0.000 2.888 177 V HA 0.799 4.920 4.120 0.000 0.000 0.309 177 V C -1.759 174.345 176.094 0.017 0.000 1.114 177 V CA -0.506 61.804 62.300 0.017 0.000 0.940 177 V CB 1.653 33.487 31.823 0.018 0.000 1.021 177 V HN 1.358 nan 8.190 nan 0.000 0.426 178 E N 2.583 122.791 120.200 0.014 0.000 2.437 178 E HA 0.431 4.781 4.350 0.000 0.000 0.280 178 E C -1.687 174.919 176.600 0.009 0.000 1.044 178 E CA -1.065 55.342 56.400 0.013 0.000 0.826 178 E CB 1.126 30.834 29.700 0.014 0.000 1.358 178 E HN 0.504 nan 8.360 nan 0.000 0.459 179 D N 0.479 120.884 120.400 0.008 0.000 2.662 179 D HA 0.278 4.918 4.640 0.000 0.000 0.237 179 D C 0.101 176.404 176.300 0.004 0.000 1.154 179 D CA 1.640 55.643 54.000 0.006 0.000 0.861 179 D CB 0.627 41.430 40.800 0.005 0.000 1.146 179 D HN 0.645 nan 8.370 nan 0.000 0.518 180 G N 0.124 108.926 108.800 0.004 0.000 3.211 180 G HA2 0.589 4.550 3.960 0.000 0.000 0.262 180 G HA3 0.589 4.550 3.960 0.000 0.000 0.262 180 G C 0.217 175.118 174.900 0.002 0.000 1.352 180 G CA -0.345 44.757 45.100 0.003 0.000 1.004 180 G HN 0.430 nan 8.290 nan 0.000 0.559 181 T N -3.224 111.331 114.554 0.002 0.000 3.192 181 T HA 0.414 4.764 4.350 0.000 0.000 0.295 181 T C 0.856 175.557 174.700 0.001 0.000 0.947 181 T CA 0.613 62.714 62.100 0.001 0.000 0.916 181 T CB 0.380 69.249 68.868 0.001 0.000 1.169 181 T HN 0.915 nan 8.240 nan 0.000 0.540 182 G N 0.880 109.681 108.800 0.001 0.000 2.504 182 G HA2 0.592 4.552 3.960 0.000 0.000 0.288 182 G HA3 0.592 4.552 3.960 0.000 0.000 0.288 182 G C 0.167 175.068 174.900 0.001 0.000 1.182 182 G CA -0.896 44.204 45.100 0.001 0.000 0.894 182 G HN 0.407 nan 8.290 nan 0.000 0.521 183 L N 0.460 121.684 121.223 0.001 0.000 2.848 183 L HA 0.274 4.615 4.340 0.000 0.000 0.240 183 L C -0.288 176.583 176.870 0.000 0.000 1.232 183 L CA -0.240 54.600 54.840 0.001 0.000 1.031 183 L CB -0.499 41.560 42.059 0.000 0.000 1.338 183 L HN 0.601 nan 8.230 nan 0.000 0.509 184 Q N -2.446 117.354 119.800 0.001 0.000 2.776 184 Q HA 0.280 4.620 4.340 0.000 0.000 0.248 184 Q C -1.654 174.347 176.000 0.001 0.000 0.990 184 Q CA -0.758 55.045 55.803 0.000 0.000 0.953 184 Q CB 0.168 28.906 28.738 -0.000 0.000 1.801 184 Q HN -0.062 nan 8.270 nan 0.000 0.448 185 D N 0.663 121.064 120.400 0.001 0.000 2.283 185 D HA 0.490 5.130 4.640 0.000 0.000 0.248 185 D C -0.758 175.543 176.300 0.001 0.000 1.072 185 D CA -0.429 53.572 54.000 0.002 0.000 0.929 185 D CB 1.080 41.881 40.800 0.002 0.000 1.182 185 D HN 0.559 nan 8.370 nan 0.000 0.433 186 E N 1.077 121.278 120.200 0.001 0.000 2.234 186 E HA 0.420 4.770 4.350 0.000 0.000 0.266 186 E C -1.744 174.856 176.600 0.001 0.000 0.877 186 E CA -0.960 55.440 56.400 0.000 0.000 0.758 186 E CB 1.362 31.062 29.700 -0.000 0.000 1.170 186 E HN 0.245 nan 8.360 nan 0.000 0.415 187 L N 4.446 125.669 121.223 -0.000 0.000 2.272 187 L HA 0.398 4.739 4.340 0.000 0.000 0.289 187 L C -0.887 175.982 176.870 -0.002 0.000 1.032 187 L CA -0.145 54.695 54.840 -0.000 0.000 0.810 187 L CB 1.240 43.298 42.059 -0.000 0.000 1.205 187 L HN 0.521 nan 8.230 nan 0.000 0.422 188 D N 3.767 124.166 120.400 -0.002 0.000 2.210 188 D HA 0.497 5.137 4.640 0.000 0.000 0.249 188 D C -0.985 175.312 176.300 -0.004 0.000 1.062 188 D CA -0.062 53.936 54.000 -0.004 0.000 0.891 188 D CB 2.312 43.108 40.800 -0.005 0.000 1.186 188 D HN 0.280 nan 8.370 nan 0.000 0.432 189 V N 1.882 121.792 119.914 -0.006 0.000 2.841 189 V HA 0.423 4.543 4.120 0.000 0.000 0.310 189 V C -0.230 175.859 176.094 -0.008 0.000 1.090 189 V CA -0.797 61.499 62.300 -0.006 0.000 0.930 189 V CB 2.368 34.188 31.823 -0.005 0.000 1.014 189 V HN 0.279 nan 8.190 nan 0.000 0.425 190 V N 3.214 123.123 119.914 -0.008 0.000 2.638 190 V HA 0.586 4.707 4.120 0.000 0.000 0.306 190 V C -0.474 175.616 176.094 -0.007 0.000 1.052 190 V CA -0.567 61.727 62.300 -0.010 0.000 0.885 190 V CB 2.048 33.865 31.823 -0.010 0.000 0.999 190 V HN 0.959 nan 8.190 nan 0.000 0.424 191 E N 1.590 121.785 120.200 -0.008 0.000 2.320 191 E HA 0.743 5.093 4.350 0.000 0.000 0.264 191 E C 0.502 177.100 176.600 -0.004 0.000 0.923 191 E CA -0.016 56.380 56.400 -0.005 0.000 0.796 191 E CB 2.509 32.206 29.700 -0.006 0.000 1.262 191 E HN 1.015 nan 8.360 nan 0.000 0.428 192 G N 1.470 110.270 108.800 -0.000 0.000 2.523 192 G HA2 -0.306 3.655 3.960 0.000 0.000 0.271 192 G HA3 -0.306 3.655 3.960 0.000 0.000 0.271 192 G C -0.332 174.579 174.900 0.018 0.000 1.146 192 G CA 0.407 45.510 45.100 0.006 0.000 0.961 192 G HN 0.512 nan 8.290 nan 0.000 0.549 193 M N 0.722 120.338 119.600 0.028 0.000 2.271 193 M HA 0.628 5.108 4.480 0.000 0.000 0.285 193 M C -0.826 175.493 176.300 0.031 0.000 1.059 193 M CA -0.531 54.806 55.300 0.063 0.000 0.940 193 M CB 1.949 34.625 32.600 0.126 0.000 1.636 193 M HN 0.866 nan 8.290 nan 0.000 0.460 194 Q N 4.481 124.294 119.800 0.021 0.000 2.345 194 Q HA 0.791 5.131 4.340 0.000 0.000 0.268 194 Q C -1.950 174.089 176.000 0.065 0.000 1.054 194 Q CA -0.683 55.084 55.803 -0.061 0.000 0.835 194 Q CB 1.980 30.679 28.738 -0.066 0.000 1.339 194 Q HN 0.675 nan 8.270 nan 0.000 0.447 195 F N -1.042 118.891 119.950 -0.028 0.000 2.645 195 F HA 0.455 4.982 4.527 0.000 0.000 0.310 195 F C -1.247 174.534 175.800 -0.031 0.000 1.102 195 F CA -1.367 56.614 58.000 -0.032 0.000 0.952 195 F CB 0.985 39.963 39.000 -0.037 0.000 1.326 195 F HN 0.375 nan 8.300 nan 0.000 0.456 196 D N 2.023 122.574 120.400 0.252 0.000 2.412 196 D HA 0.494 5.134 4.640 0.000 0.000 0.257 196 D C -0.758 175.690 176.300 0.246 0.000 1.217 196 D CA 1.000 55.095 54.000 0.158 0.000 0.897 196 D CB 0.342 41.213 40.800 0.118 0.000 1.132 196 D HN 0.612 nan 8.370 nan 0.000 0.493 197 R N 1.320 121.886 120.500 0.110 0.000 6.482 197 R HA 0.312 4.652 4.340 0.000 0.000 0.275 197 R C -0.320 175.943 176.300 -0.062 0.000 0.810 197 R CA -0.185 55.961 56.100 0.077 0.000 1.650 197 R CB -0.130 30.304 30.300 0.224 0.000 1.270 197 R HN 0.501 nan 8.270 nan 0.000 0.771 198 G N 1.466 110.186 108.800 -0.133 0.000 2.543 198 G HA2 0.428 4.388 3.960 0.000 0.000 0.290 198 G HA3 0.428 4.388 3.960 0.000 0.000 0.290 198 G C -0.656 174.107 174.900 -0.229 0.000 1.310 198 G CA -0.530 44.404 45.100 -0.277 0.000 1.025 198 G HN 0.498 nan 8.290 nan 0.000 0.502 199 Y N -1.221 119.041 120.300 -0.063 0.000 2.597 199 Y HA 0.324 4.874 4.550 0.001 0.000 0.336 199 Y C 1.024 176.909 175.900 -0.024 0.000 1.216 199 Y CA -0.989 57.065 58.100 -0.077 0.000 1.463 199 Y CB 0.409 38.815 38.460 -0.091 0.000 1.303 199 Y HN 0.163 nan 8.280 nan 0.000 0.576 200 L N 2.314 123.642 121.223 0.175 0.000 2.591 200 L HA 0.176 4.517 4.340 0.000 0.000 0.228 200 L C 0.604 177.608 176.870 0.224 0.000 1.133 200 L CA 0.459 55.393 54.840 0.157 0.000 0.880 200 L CB -0.171 41.951 42.059 0.105 0.000 1.033 200 L HN 0.768 nan 8.230 nan 0.000 0.450 201 S N -0.827 115.057 115.700 0.307 0.000 2.543 201 S HA 0.388 4.858 4.470 0.000 0.000 0.273 201 S C -2.191 172.508 174.600 0.166 0.000 1.152 201 S CA -0.831 57.536 58.200 0.280 0.000 0.910 201 S CB 1.827 65.217 63.200 0.317 0.000 1.105 201 S HN -0.177 nan 8.310 nan 0.000 0.465 202 P HA 0.064 nan 4.420 nan 0.000 0.227 202 P C 0.646 177.772 177.300 -0.289 0.000 1.161 202 P CA 0.624 63.558 63.100 -0.277 0.000 0.788 202 P CB -0.115 31.429 31.700 -0.260 0.000 0.822 203 Y N -1.902 118.390 120.300 -0.012 0.000 2.680 203 Y HA 0.053 4.604 4.550 0.000 0.000 0.303 203 Y C 1.991 177.869 175.900 -0.037 0.000 1.166 203 Y CA 0.588 58.670 58.100 -0.029 0.000 1.344 203 Y CB -1.110 37.333 38.460 -0.029 0.000 1.002 203 Y HN -0.084 nan 8.280 nan 0.000 0.537 204 F N -0.601 119.328 119.950 -0.034 0.000 2.754 204 F HA 0.178 4.705 4.527 0.000 0.000 0.297 204 F C 0.744 176.464 175.800 -0.133 0.000 1.122 204 F CA -0.100 57.863 58.000 -0.062 0.000 1.400 204 F CB 0.301 39.269 39.000 -0.053 0.000 1.117 204 F HN -0.184 nan 8.300 nan 0.000 0.587 205 I N 2.854 123.403 120.570 -0.036 0.000 2.453 205 I HA -0.107 4.063 4.170 0.000 0.000 0.300 205 I C 0.981 177.077 176.117 -0.035 0.000 1.159 205 I CA 0.190 61.420 61.300 -0.117 0.000 1.379 205 I CB -0.173 37.671 38.000 -0.259 0.000 1.460 205 I HN 0.275 nan 8.210 nan 0.000 0.601 206 N N 5.646 124.355 118.700 0.015 0.000 2.449 206 N HA -0.035 4.705 4.740 0.000 0.000 0.191 206 N C -0.104 175.407 175.510 0.002 0.000 1.161 206 N CA 0.117 53.177 53.050 0.016 0.000 0.863 206 N CB 0.416 38.928 38.487 0.042 0.000 0.980 206 N HN 0.364 nan 8.380 nan 0.000 0.458 207 K N 1.034 121.428 120.400 -0.010 0.000 2.701 207 K HA 0.277 4.597 4.320 0.000 0.000 0.212 207 K C -2.165 174.423 176.600 -0.020 0.000 1.035 207 K CA -1.624 54.657 56.287 -0.010 0.000 1.048 207 K CB 2.078 34.576 32.500 -0.003 0.000 1.234 207 K HN -0.121 nan 8.250 nan 0.000 0.540 208 P HA -0.153 nan 4.420 nan 0.000 0.222 208 P C 0.416 177.707 177.300 -0.015 0.000 1.142 208 P CA 1.176 64.260 63.100 -0.026 0.000 0.788 208 P CB 0.485 32.170 31.700 -0.024 0.000 0.767 209 E N -1.695 118.499 120.200 -0.010 0.000 2.358 209 E HA -0.051 4.299 4.350 0.000 0.000 0.195 209 E C 1.610 178.209 176.600 -0.002 0.000 1.010 209 E CA 1.425 57.822 56.400 -0.005 0.000 0.856 209 E CB -0.722 28.976 29.700 -0.004 0.000 0.795 209 E HN 0.398 nan 8.360 nan 0.000 0.504 210 T N -6.136 108.418 114.554 -0.001 0.000 3.029 210 T HA 0.339 4.689 4.350 0.000 0.000 0.256 210 T C 1.613 176.322 174.700 0.016 0.000 0.914 210 T CA 0.258 62.361 62.100 0.006 0.000 0.880 210 T CB 0.510 69.382 68.868 0.006 0.000 1.246 210 T HN 0.180 nan 8.240 nan 0.000 0.523 211 G N 1.733 110.539 108.800 0.010 0.000 2.159 211 G HA2 0.050 4.010 3.960 0.000 0.000 0.256 211 G HA3 0.050 4.010 3.960 0.000 0.000 0.256 211 G C 0.269 175.198 174.900 0.047 0.000 0.977 211 G CA 0.014 45.130 45.100 0.026 0.000 0.652 211 G HN 1.315 nan 8.290 nan 0.000 0.531 212 A N -0.475 122.359 122.820 0.024 0.000 2.304 212 A HA 0.812 5.132 4.320 0.000 0.000 0.301 212 A C 0.286 177.867 177.584 -0.005 0.000 1.132 212 A CA -0.078 51.980 52.037 0.036 0.000 0.819 212 A CB 1.554 20.569 19.000 0.024 0.000 1.094 212 A HN 1.104 nan 8.150 nan 0.000 0.492 213 V N 2.086 122.004 119.914 0.006 0.000 2.439 213 V HA 0.325 4.445 4.120 0.000 0.000 0.282 213 V C -0.018 176.082 176.094 0.010 0.000 1.039 213 V CA -0.325 61.975 62.300 0.001 0.000 0.913 213 V CB 1.189 32.971 31.823 -0.067 0.000 0.983 213 V HN 0.945 nan 8.190 nan 0.000 0.460 214 E N 4.950 125.176 120.200 0.044 0.000 2.165 214 E HA 0.538 4.888 4.350 0.000 0.000 0.266 214 E C -1.344 175.292 176.600 0.061 0.000 0.889 214 E CA -0.567 55.853 56.400 0.034 0.000 0.756 214 E CB 2.252 31.971 29.700 0.031 0.000 1.131 214 E HN 0.515 nan 8.360 nan 0.000 0.411 215 L N 2.983 124.225 121.223 0.032 0.000 2.276 215 L HA 0.349 4.689 4.340 0.000 0.000 0.286 215 L C 0.088 176.971 176.870 0.021 0.000 1.024 215 L CA -0.811 54.056 54.840 0.045 0.000 0.826 215 L CB 1.025 43.102 42.059 0.030 0.000 1.211 215 L HN 0.465 nan 8.230 nan 0.000 0.422 216 E N 1.977 122.192 120.200 0.025 0.000 2.349 216 E HA 0.060 4.411 4.350 0.000 0.000 0.265 216 E C 0.278 176.874 176.600 -0.006 0.000 1.064 216 E CA -0.178 56.226 56.400 0.006 0.000 0.886 216 E CB 1.330 31.036 29.700 0.010 0.000 1.036 216 E HN 0.424 nan 8.360 nan 0.000 0.413 217 S N 4.979 120.660 115.700 -0.032 0.000 3.731 217 S HA -0.071 4.400 4.470 0.000 0.000 0.394 217 S C -2.177 172.365 174.600 -0.097 0.000 0.700 217 S CA -0.466 57.691 58.200 -0.071 0.000 1.881 217 S CB -0.607 62.536 63.200 -0.094 0.000 1.196 217 S HN 0.319 nan 8.310 nan 0.000 0.566 218 P HA 0.346 nan 4.420 nan 0.000 0.282 218 P C -0.211 177.023 177.300 -0.110 0.000 1.259 218 P CA -0.752 62.333 63.100 -0.024 0.000 0.826 218 P CB 0.498 32.222 31.700 0.040 0.000 1.064 219 F N 0.453 120.421 119.950 0.029 0.000 2.410 219 F HA 0.338 4.865 4.527 0.000 0.000 0.334 219 F C 0.984 176.802 175.800 0.030 0.000 1.134 219 F CA 0.287 58.303 58.000 0.026 0.000 1.227 219 F CB 0.338 39.353 39.000 0.025 0.000 1.194 219 F HN 0.037 nan 8.300 nan 0.000 0.571 220 I N 3.990 124.707 120.570 0.246 0.000 2.478 220 I HA 0.248 4.418 4.170 0.000 0.000 0.287 220 I C -1.276 174.915 176.117 0.123 0.000 1.042 220 I CA -0.858 60.529 61.300 0.145 0.000 1.067 220 I CB 1.865 39.925 38.000 0.100 0.000 1.233 220 I HN 0.280 nan 8.210 nan 0.000 0.431 221 L N 7.855 129.132 121.223 0.090 0.000 2.325 221 L HA 0.595 4.935 4.340 0.000 0.000 0.279 221 L C -1.104 175.791 176.870 0.041 0.000 1.054 221 L CA -0.106 54.767 54.840 0.056 0.000 0.804 221 L CB 1.261 43.344 42.059 0.041 0.000 1.200 221 L HN 0.448 nan 8.230 nan 0.000 0.436 222 L N 5.882 127.120 121.223 0.024 0.000 2.345 222 L HA 0.756 5.096 4.340 0.000 0.000 0.274 222 L C -0.506 176.363 176.870 -0.001 0.000 0.999 222 L CA -0.566 54.278 54.840 0.006 0.000 0.849 222 L CB 1.434 43.493 42.059 0.000 0.000 1.220 222 L HN 0.784 nan 8.230 nan 0.000 0.422 223 A N 1.654 124.472 122.820 -0.004 0.000 2.466 223 A HA 0.334 4.654 4.320 0.000 0.000 0.291 223 A C -0.545 177.034 177.584 -0.009 0.000 1.234 223 A CA -0.514 51.521 52.037 -0.003 0.000 0.752 223 A CB 0.792 19.795 19.000 0.006 0.000 1.153 223 A HN 0.713 nan 8.150 nan 0.000 0.458 224 D N 2.467 122.859 120.400 -0.013 0.000 2.671 224 D HA 0.375 5.015 4.640 0.000 0.000 0.228 224 D C 0.007 176.304 176.300 -0.006 0.000 1.102 224 D CA 0.410 54.402 54.000 -0.014 0.000 1.044 224 D CB -0.355 40.434 40.800 -0.018 0.000 1.113 224 D HN 0.518 nan 8.370 nan 0.000 0.480 225 K N -0.174 120.225 120.400 -0.002 0.000 2.589 225 K HA 0.196 4.516 4.320 0.000 0.000 0.265 225 K C -1.241 175.364 176.600 0.007 0.000 0.935 225 K CA -1.066 55.223 56.287 0.003 0.000 0.850 225 K CB 0.396 32.898 32.500 0.003 0.000 1.372 225 K HN -0.051 nan 8.250 nan 0.000 0.420 226 K N 3.865 124.271 120.400 0.010 0.000 2.361 226 K HA 0.144 4.464 4.320 0.000 0.000 0.283 226 K C -0.508 176.102 176.600 0.016 0.000 1.078 226 K CA 0.006 56.302 56.287 0.015 0.000 1.041 226 K CB -0.273 32.237 32.500 0.016 0.000 0.932 226 K HN 0.639 nan 8.250 nan 0.000 0.462 227 I N 3.331 123.913 120.570 0.020 0.000 2.278 227 I HA -0.031 4.139 4.170 0.000 0.000 0.296 227 I C 0.917 177.049 176.117 0.024 0.000 1.121 227 I CA -0.217 61.096 61.300 0.021 0.000 1.267 227 I CB 0.948 38.962 38.000 0.023 0.000 1.447 227 I HN 0.733 nan 8.210 nan 0.000 0.509 228 S N 4.411 120.124 115.700 0.021 0.000 2.528 228 S HA 0.126 4.596 4.470 0.000 0.000 0.219 228 S C 0.390 175.002 174.600 0.021 0.000 0.985 228 S CA 0.303 58.516 58.200 0.022 0.000 0.914 228 S CB -0.182 63.029 63.200 0.019 0.000 0.776 228 S HN 0.684 nan 8.310 nan 0.000 0.526 229 N N 0.121 118.832 118.700 0.019 0.000 2.295 229 N HA 0.375 5.115 4.740 0.000 0.000 0.293 229 N C -0.025 175.495 175.510 0.017 0.000 1.040 229 N CA -0.455 52.605 53.050 0.016 0.000 0.840 229 N CB 1.523 40.017 38.487 0.012 0.000 1.468 229 N HN -0.086 nan 8.380 nan 0.000 0.478 230 I N 1.893 122.473 120.570 0.017 0.000 2.614 230 I HA -0.049 4.122 4.170 0.000 0.000 0.258 230 I C 2.338 178.461 176.117 0.010 0.000 1.189 230 I CA 1.003 62.312 61.300 0.016 0.000 1.462 230 I CB -0.269 37.742 38.000 0.017 0.000 1.092 230 I HN 0.599 nan 8.210 nan 0.000 0.442 231 R N 0.723 121.228 120.500 0.008 0.000 2.196 231 R HA -0.338 4.002 4.340 0.000 0.000 0.244 231 R C 1.988 178.290 176.300 0.003 0.000 1.121 231 R CA 2.727 58.830 56.100 0.005 0.000 0.930 231 R CB -0.469 29.833 30.300 0.005 0.000 0.890 231 R HN 0.344 nan 8.270 nan 0.000 0.435 232 E N -0.477 119.725 120.200 0.004 0.000 2.204 232 E HA -0.143 4.208 4.350 0.000 0.000 0.195 232 E C 1.915 178.516 176.600 0.000 0.000 0.990 232 E CA 1.337 57.738 56.400 0.002 0.000 0.821 232 E CB 0.010 29.712 29.700 0.004 0.000 0.750 232 E HN 0.380 nan 8.360 nan 0.000 0.477 233 M N -0.370 119.232 119.600 0.003 0.000 2.288 233 M HA 0.009 4.489 4.480 0.000 0.000 0.266 233 M C 2.052 178.349 176.300 -0.005 0.000 1.072 233 M CA 0.926 56.228 55.300 0.002 0.000 1.132 233 M CB -0.575 32.032 32.600 0.012 0.000 1.386 233 M HN 0.174 nan 8.290 nan 0.000 0.432 234 L N 0.070 121.291 121.223 -0.004 0.000 2.051 234 L HA -0.232 4.108 4.340 0.000 0.000 0.214 234 L C -0.380 176.481 176.870 -0.016 0.000 1.076 234 L CA 1.732 56.568 54.840 -0.007 0.000 0.758 234 L CB -2.412 39.644 42.059 -0.005 0.000 0.890 234 L HN 0.189 nan 8.230 nan 0.000 0.433 235 P HA -0.118 nan 4.420 nan 0.000 0.217 235 P C 1.892 179.167 177.300 -0.041 0.000 1.150 235 P CA 1.107 64.191 63.100 -0.026 0.000 0.832 235 P CB 0.063 31.749 31.700 -0.023 0.000 0.787 236 V N -0.654 119.234 119.914 -0.043 0.000 2.379 236 V HA -0.166 3.954 4.120 0.000 0.000 0.245 236 V C 2.439 178.488 176.094 -0.075 0.000 1.044 236 V CA 1.243 63.502 62.300 -0.068 0.000 1.036 236 V CB -1.179 30.612 31.823 -0.053 0.000 0.664 236 V HN 0.065 nan 8.190 nan 0.000 0.453 237 L N 0.088 121.286 121.223 -0.041 0.000 2.012 237 L HA -0.226 4.114 4.340 0.000 0.000 0.210 237 L C 2.711 179.560 176.870 -0.034 0.000 1.073 237 L CA 2.096 56.920 54.840 -0.027 0.000 0.748 237 L CB -0.214 41.842 42.059 -0.004 0.000 0.891 237 L HN 0.399 nan 8.230 nan 0.000 0.431 238 E N -0.018 120.162 120.200 -0.034 0.000 2.077 238 E HA -0.220 4.130 4.350 0.000 0.000 0.193 238 E C 1.970 178.540 176.600 -0.050 0.000 0.989 238 E CA 1.531 57.911 56.400 -0.032 0.000 0.800 238 E CB -0.129 29.555 29.700 -0.026 0.000 0.746 238 E HN 0.481 nan 8.360 nan 0.000 0.452 239 A N -0.091 122.682 122.820 -0.078 0.000 1.933 239 A HA -0.124 4.196 4.320 0.000 0.000 0.218 239 A C 2.463 179.950 177.584 -0.162 0.000 1.175 239 A CA 1.617 53.586 52.037 -0.114 0.000 0.628 239 A CB -0.625 18.291 19.000 -0.140 0.000 0.814 239 A HN 0.209 nan 8.150 nan 0.000 0.444 240 V N -0.340 119.463 119.914 -0.185 0.000 2.453 240 V HA -0.159 3.961 4.120 0.000 0.000 0.247 240 V C 3.011 179.088 176.094 -0.028 0.000 1.048 240 V CA 1.595 63.784 62.300 -0.186 0.000 1.049 240 V CB -1.065 30.666 31.823 -0.152 0.000 0.672 240 V HN 0.603 nan 8.190 nan 0.000 0.457 241 A N -0.003 122.807 122.820 -0.016 0.000 1.908 241 A HA -0.249 4.071 4.320 0.000 0.000 0.218 241 A C 2.192 179.784 177.584 0.012 0.000 1.181 241 A CA 1.870 53.913 52.037 0.009 0.000 0.627 241 A CB -0.456 18.545 19.000 0.001 0.000 0.818 241 A HN 0.531 nan 8.150 nan 0.000 0.445 242 K N -0.500 119.897 120.400 -0.006 0.000 2.515 242 K HA 0.078 4.398 4.320 0.000 0.000 0.196 242 K C 1.564 178.178 176.600 0.023 0.000 1.038 242 K CA 0.644 56.932 56.287 0.001 0.000 0.967 242 K CB -0.140 32.352 32.500 -0.014 0.000 0.780 242 K HN 0.485 nan 8.250 nan 0.000 0.483 243 A N -0.188 122.660 122.820 0.047 0.000 2.229 243 A HA 0.273 4.594 4.320 0.000 0.000 0.211 243 A C 1.477 179.138 177.584 0.129 0.000 1.193 243 A CA 0.578 52.687 52.037 0.120 0.000 0.879 243 A CB 0.144 19.285 19.000 0.234 0.000 0.911 243 A HN 0.298 nan 8.150 nan 0.000 0.492 244 G N -0.296 108.565 108.800 0.101 0.000 2.168 244 G HA2 -0.286 3.675 3.960 0.000 0.000 0.263 244 G HA3 -0.286 3.675 3.960 0.000 0.000 0.263 244 G C 0.218 175.181 174.900 0.104 0.000 0.977 244 G CA 0.881 46.032 45.100 0.084 0.000 0.659 244 G HN 0.585 nan 8.290 nan 0.000 0.533 245 K N 0.737 121.239 120.400 0.170 0.000 2.098 245 K HA 0.529 4.849 4.320 0.000 0.000 0.258 245 K C -2.106 174.604 176.600 0.184 0.000 0.973 245 K CA -1.996 54.391 56.287 0.166 0.000 0.898 245 K CB 1.115 33.723 32.500 0.181 0.000 1.057 245 K HN 0.006 nan 8.250 nan 0.000 0.447 246 P HA 0.022 nan 4.420 nan 0.000 0.271 246 P C -1.261 176.152 177.300 0.189 0.000 1.244 246 P CA -0.428 62.760 63.100 0.147 0.000 0.793 246 P CB 0.444 32.218 31.700 0.124 0.000 0.984 247 L N 1.283 122.612 121.223 0.176 0.000 2.370 247 L HA 0.675 5.015 4.340 0.000 0.000 0.266 247 L C -1.574 175.376 176.870 0.134 0.000 1.002 247 L CA -0.863 54.080 54.840 0.172 0.000 0.818 247 L CB 1.777 43.922 42.059 0.143 0.000 1.325 247 L HN 0.141 nan 8.230 nan 0.000 0.418 248 L N 4.681 125.973 121.223 0.114 0.000 2.385 248 L HA 0.661 5.001 4.340 0.000 0.000 0.273 248 L C -1.294 175.625 176.870 0.082 0.000 0.990 248 L CA -0.154 54.733 54.840 0.079 0.000 0.821 248 L CB 1.636 43.731 42.059 0.060 0.000 1.279 248 L HN 0.511 nan 8.230 nan 0.000 0.412 249 I N 6.193 126.804 120.570 0.069 0.000 2.304 249 I HA 0.367 4.538 4.170 0.000 0.000 0.291 249 I C -0.233 175.921 176.117 0.062 0.000 1.018 249 I CA 0.129 61.466 61.300 0.061 0.000 1.260 249 I CB 0.957 38.989 38.000 0.054 0.000 1.390 249 I HN 0.400 nan 8.210 nan 0.000 0.475 250 I N 6.412 127.016 120.570 0.057 0.000 2.330 250 I HA 0.701 4.872 4.170 0.000 0.000 0.289 250 I C 0.275 176.397 176.117 0.007 0.000 1.001 250 I CA -0.170 61.158 61.300 0.046 0.000 1.193 250 I CB 0.944 38.970 38.000 0.044 0.000 1.345 250 I HN 0.702 nan 8.210 nan 0.000 0.461 251 A N 4.864 127.686 122.820 0.004 0.000 2.524 251 A HA 0.426 4.746 4.320 0.000 0.000 0.286 251 A C 0.849 178.424 177.584 -0.015 0.000 1.203 251 A CA -0.541 51.494 52.037 -0.004 0.000 0.736 251 A CB 1.259 20.267 19.000 0.013 0.000 1.322 251 A HN 0.732 nan 8.150 nan 0.000 0.424 252 E N -0.501 119.693 120.200 -0.011 0.000 2.033 252 E HA -0.191 4.159 4.350 0.000 0.000 0.199 252 E C -0.190 176.415 176.600 0.008 0.000 1.011 252 E CA 1.901 58.298 56.400 -0.005 0.000 0.815 252 E CB 0.088 29.788 29.700 -0.001 0.000 0.755 252 E HN 0.587 nan 8.360 nan 0.000 0.451 253 D N -1.874 118.535 120.400 0.016 0.000 2.653 253 D HA 0.303 4.943 4.640 0.000 0.000 0.258 253 D C -1.851 174.467 176.300 0.029 0.000 1.252 253 D CA -0.512 53.503 54.000 0.025 0.000 0.777 253 D CB 2.271 43.086 40.800 0.025 0.000 1.339 253 D HN -0.049 nan 8.370 nan 0.000 0.422 254 V N 1.665 121.601 119.914 0.036 0.000 2.668 254 V HA 0.561 4.682 4.120 0.000 0.000 0.304 254 V C -0.452 175.670 176.094 0.046 0.000 1.071 254 V CA -0.598 61.727 62.300 0.041 0.000 0.894 254 V CB 1.850 33.702 31.823 0.048 0.000 1.008 254 V HN 0.686 nan 8.190 nan 0.000 0.425 255 E N 2.639 122.865 120.200 0.042 0.000 2.425 255 E HA 0.780 5.130 4.350 0.000 0.000 0.272 255 E C 0.349 176.972 176.600 0.038 0.000 1.061 255 E CA -0.421 56.004 56.400 0.041 0.000 0.877 255 E CB 1.255 30.975 29.700 0.034 0.000 1.590 255 E HN 1.257 nan 8.360 nan 0.000 0.462 256 G N 1.202 110.023 108.800 0.035 0.000 2.582 256 G HA2 -0.433 3.527 3.960 0.000 0.000 0.288 256 G HA3 -0.433 3.527 3.960 0.000 0.000 0.288 256 G C 0.700 175.618 174.900 0.030 0.000 1.247 256 G CA 1.046 46.164 45.100 0.029 0.000 0.972 256 G HN 0.896 nan 8.290 nan 0.000 0.557 257 E N 0.508 120.723 120.200 0.025 0.000 2.358 257 E HA 0.430 4.780 4.350 0.000 0.000 0.195 257 E C 2.578 179.195 176.600 0.027 0.000 1.010 257 E CA 2.011 58.425 56.400 0.023 0.000 0.856 257 E CB -0.484 29.225 29.700 0.016 0.000 0.795 257 E HN 1.198 nan 8.360 nan 0.000 0.504 258 A N 1.470 124.309 122.820 0.030 0.000 1.845 258 A HA -0.122 4.198 4.320 0.000 0.000 0.215 258 A C 2.188 179.803 177.584 0.051 0.000 1.195 258 A CA 1.553 53.612 52.037 0.037 0.000 0.616 258 A CB -0.895 18.127 19.000 0.035 0.000 0.832 258 A HN 0.322 nan 8.150 nan 0.000 0.443 259 L N -0.207 121.050 121.223 0.056 0.000 2.012 259 L HA -0.090 4.251 4.340 0.000 0.000 0.210 259 L C 2.716 179.633 176.870 0.077 0.000 1.073 259 L CA 2.325 57.210 54.840 0.076 0.000 0.748 259 L CB -0.941 41.162 42.059 0.074 0.000 0.891 259 L HN 0.384 nan 8.230 nan 0.000 0.431 260 A N -0.967 121.887 122.820 0.057 0.000 1.865 260 A HA -0.285 4.035 4.320 0.000 0.000 0.217 260 A C 2.367 179.971 177.584 0.034 0.000 1.191 260 A CA 3.014 55.077 52.037 0.043 0.000 0.623 260 A CB -1.536 17.481 19.000 0.028 0.000 0.826 260 A HN 0.635 nan 8.150 nan 0.000 0.444 261 T N -1.479 113.093 114.554 0.031 0.000 2.821 261 T HA -0.045 4.305 4.350 0.000 0.000 0.267 261 T C 1.829 176.549 174.700 0.033 0.000 1.046 261 T CA 1.401 63.514 62.100 0.022 0.000 1.139 261 T CB -0.569 68.311 68.868 0.019 0.000 0.871 261 T HN 0.286 nan 8.240 nan 0.000 0.454 262 L N 0.607 121.866 121.223 0.060 0.000 2.017 262 L HA -0.040 4.301 4.340 0.000 0.000 0.208 262 L C 2.976 179.906 176.870 0.101 0.000 1.073 262 L CA 0.943 55.839 54.840 0.093 0.000 0.745 262 L CB -0.649 41.487 42.059 0.128 0.000 0.894 262 L HN 0.160 nan 8.230 nan 0.000 0.432 263 V N -0.866 119.112 119.914 0.107 0.000 2.427 263 V HA -0.222 3.899 4.120 0.000 0.000 0.248 263 V C 2.368 178.446 176.094 -0.026 0.000 1.051 263 V CA 1.322 63.670 62.300 0.081 0.000 1.048 263 V CB -0.089 31.810 31.823 0.127 0.000 0.666 263 V HN 0.191 nan 8.190 nan 0.000 0.456 264 V N 0.287 120.188 119.914 -0.022 0.000 2.358 264 V HA -0.214 3.906 4.120 0.000 0.000 0.246 264 V C 2.281 178.338 176.094 -0.061 0.000 1.047 264 V CA 1.949 64.218 62.300 -0.052 0.000 1.035 264 V CB -0.774 31.027 31.823 -0.036 0.000 0.658 264 V HN 0.580 nan 8.190 nan 0.000 0.452 265 N N -0.091 118.586 118.700 -0.039 0.000 2.289 265 N HA -0.142 4.599 4.740 0.000 0.000 0.184 265 N C 1.802 177.265 175.510 -0.079 0.000 1.016 265 N CA 1.929 54.955 53.050 -0.040 0.000 0.872 265 N CB -0.051 38.431 38.487 -0.008 0.000 0.973 265 N HN 0.506 nan 8.380 nan 0.000 0.433 266 T N 1.747 116.217 114.554 -0.140 0.000 2.668 266 T HA -0.059 4.291 4.350 0.000 0.000 0.258 266 T C 1.953 176.499 174.700 -0.256 0.000 1.051 266 T CA 0.597 62.520 62.100 -0.295 0.000 1.155 266 T CB -0.176 68.287 68.868 -0.675 0.000 0.864 266 T HN 0.134 nan 8.240 nan 0.000 0.413 267 M N 1.546 121.013 119.600 -0.221 0.000 2.108 267 M HA -0.078 4.403 4.480 0.000 0.000 0.261 267 M C 2.212 178.437 176.300 -0.124 0.000 1.066 267 M CA 1.730 56.930 55.300 -0.168 0.000 1.107 267 M CB -0.631 31.872 32.600 -0.162 0.000 1.356 267 M HN 0.039 nan 8.290 nan 0.000 0.406 268 R N 0.619 121.056 120.500 -0.105 0.000 2.235 268 R HA 0.031 4.371 4.340 0.000 0.000 0.213 268 R C 1.040 177.300 176.300 -0.067 0.000 1.059 268 R CA 1.418 57.471 56.100 -0.077 0.000 0.997 268 R CB -0.917 29.345 30.300 -0.063 0.000 0.884 268 R HN 0.648 nan 8.270 nan 0.000 0.462 269 G N -0.149 108.604 108.800 -0.078 0.000 2.140 269 G HA2 -0.175 3.785 3.960 0.000 0.000 0.211 269 G HA3 -0.175 3.785 3.960 0.000 0.000 0.211 269 G C 0.462 175.335 174.900 -0.045 0.000 1.013 269 G CA 0.219 45.281 45.100 -0.063 0.000 0.705 269 G HN 0.196 nan 8.290 nan 0.000 0.508 270 I N -0.365 120.178 120.570 -0.045 0.000 2.188 270 I HA 0.173 4.343 4.170 0.000 0.000 0.237 270 I C 1.489 177.596 176.117 -0.017 0.000 1.073 270 I CA 2.157 63.441 61.300 -0.026 0.000 1.359 270 I CB -1.332 36.654 38.000 -0.022 0.000 1.083 270 I HN 0.740 nan 8.210 nan 0.000 0.412 271 V N -1.990 117.912 119.914 -0.020 0.000 3.000 271 V HA 0.390 4.511 4.120 0.000 0.000 0.300 271 V C -0.415 175.676 176.094 -0.004 0.000 1.251 271 V CA -1.441 60.861 62.300 0.004 0.000 0.972 271 V CB 1.768 33.610 31.823 0.032 0.000 1.065 271 V HN 0.099 nan 8.190 nan 0.000 0.431 272 K N 2.532 122.948 120.400 0.026 0.000 2.307 272 K HA 0.472 4.792 4.320 0.000 0.000 0.285 272 K C -0.306 176.433 176.600 0.232 0.000 1.073 272 K CA 0.117 56.461 56.287 0.096 0.000 0.996 272 K CB 0.809 33.415 32.500 0.177 0.000 0.994 272 K HN 0.997 nan 8.250 nan 0.000 0.452 273 V N 0.291 120.385 119.914 0.299 0.000 2.482 273 V HA 0.781 4.901 4.120 0.000 0.000 0.295 273 V C -0.505 175.837 176.094 0.414 0.000 1.026 273 V CA -0.911 61.560 62.300 0.285 0.000 0.856 273 V CB 1.465 33.381 31.823 0.155 0.000 1.001 273 V HN 0.644 nan 8.190 nan 0.000 0.424 274 A N 3.885 126.865 122.820 0.265 0.000 2.346 274 A HA 1.116 5.436 4.320 0.000 0.000 0.313 274 A C -0.003 177.607 177.584 0.043 0.000 1.140 274 A CA -0.366 51.707 52.037 0.059 0.000 0.826 274 A CB 1.985 20.804 19.000 -0.302 0.000 1.332 274 A HN 2.473 nan 8.150 nan 0.000 0.457 275 A N -0.585 122.239 122.820 0.006 0.000 2.572 275 A HA 0.784 5.104 4.320 0.000 0.000 0.295 275 A C -0.781 176.822 177.584 0.030 0.000 1.072 275 A CA 0.064 52.123 52.037 0.037 0.000 0.691 275 A CB 1.234 20.272 19.000 0.063 0.000 1.291 275 A HN 2.345 nan 8.150 nan 0.000 0.404 276 V N -1.276 118.673 119.914 0.059 0.000 3.147 276 V HA 0.704 4.824 4.120 0.000 0.000 0.306 276 V C -0.604 175.539 176.094 0.082 0.000 1.209 276 V CA -1.136 61.215 62.300 0.084 0.000 1.023 276 V CB 1.513 33.421 31.823 0.142 0.000 1.059 276 V HN 0.978 nan 8.190 nan 0.000 0.435 277 K N 1.618 122.064 120.400 0.077 0.000 2.399 277 K HA 0.808 5.128 4.320 0.000 0.000 0.247 277 K C 0.324 176.938 176.600 0.023 0.000 1.036 277 K CA -0.193 56.123 56.287 0.047 0.000 0.977 277 K CB 0.949 33.477 32.500 0.046 0.000 1.272 277 K HN 1.157 nan 8.250 nan 0.000 0.501 278 A N 2.905 125.723 122.820 -0.003 0.000 2.545 278 A HA 0.115 4.435 4.320 0.000 0.000 0.253 278 A C -2.026 175.523 177.584 -0.057 0.000 1.074 278 A CA -0.782 51.227 52.037 -0.048 0.000 0.760 278 A CB -0.797 18.190 19.000 -0.022 0.000 1.005 278 A HN 0.336 nan 8.150 nan 0.000 0.506 279 P HA 0.398 nan 4.420 nan 0.000 0.280 279 P C 0.974 178.195 177.300 -0.130 0.000 1.244 279 P CA 1.258 64.266 63.100 -0.155 0.000 0.784 279 P CB 1.172 32.587 31.700 -0.475 0.000 0.913 280 G N 3.436 112.199 108.800 -0.061 0.000 2.559 280 G HA2 -0.183 3.778 3.960 0.000 0.000 0.282 280 G HA3 -0.183 3.778 3.960 0.000 0.000 0.282 280 G C -0.556 174.351 174.900 0.013 0.000 1.177 280 G CA 0.419 45.426 45.100 -0.155 0.000 0.960 280 G HN 0.742 nan 8.290 nan 0.000 0.540 281 F N -2.418 117.536 119.950 0.007 0.000 2.770 281 F HA 0.664 5.192 4.527 0.001 0.000 0.313 281 F C 0.881 176.685 175.800 0.007 0.000 1.154 281 F CA 0.296 58.302 58.000 0.009 0.000 0.923 281 F CB 0.699 39.711 39.000 0.021 0.000 1.301 281 F HN 2.381 nan 8.300 nan 0.000 0.449 282 G N 1.098 110.052 108.800 0.257 0.000 2.550 282 G HA2 -0.265 3.695 3.960 0.000 0.000 0.277 282 G HA3 -0.265 3.695 3.960 0.000 0.000 0.277 282 G C 0.082 175.012 174.900 0.051 0.000 1.190 282 G CA 0.529 45.721 45.100 0.153 0.000 0.971 282 G HN 0.955 nan 8.290 nan 0.000 0.559 283 D N 0.586 121.001 120.400 0.025 0.000 2.328 283 D HA 0.054 4.694 4.640 0.000 0.000 0.226 283 D C 2.205 178.470 176.300 -0.059 0.000 1.066 283 D CA 0.268 54.260 54.000 -0.015 0.000 0.861 283 D CB 0.022 40.818 40.800 -0.006 0.000 0.912 283 D HN 0.443 nan 8.370 nan 0.000 0.521 284 R N 1.141 121.583 120.500 -0.098 0.000 2.170 284 R HA -0.155 4.185 4.340 0.000 0.000 0.242 284 R C 2.041 178.248 176.300 -0.155 0.000 1.145 284 R CA 0.733 56.733 56.100 -0.167 0.000 0.984 284 R CB 0.061 30.184 30.300 -0.295 0.000 0.869 284 R HN 0.075 nan 8.270 nan 0.000 0.455 285 R N 1.034 121.461 120.500 -0.121 0.000 2.401 285 R HA -0.311 4.029 4.340 0.000 0.000 0.210 285 R C 1.744 177.982 176.300 -0.103 0.000 1.054 285 R CA 2.870 58.908 56.100 -0.104 0.000 0.789 285 R CB -0.405 29.861 30.300 -0.056 0.000 0.869 285 R HN 0.224 nan 8.270 nan 0.000 0.406 286 K N -0.424 119.932 120.400 -0.073 0.000 2.074 286 K HA -0.199 4.121 4.320 0.000 0.000 0.209 286 K C 2.186 178.742 176.600 -0.075 0.000 1.048 286 K CA 1.745 57.994 56.287 -0.063 0.000 0.926 286 K CB -0.284 32.189 32.500 -0.044 0.000 0.713 286 K HN 0.461 nan 8.250 nan 0.000 0.444 287 A N 1.489 124.258 122.820 -0.084 0.000 1.851 287 A HA -0.179 4.142 4.320 0.000 0.000 0.216 287 A C 2.155 179.677 177.584 -0.102 0.000 1.195 287 A CA 1.818 53.802 52.037 -0.089 0.000 0.622 287 A CB -0.499 18.442 19.000 -0.099 0.000 0.831 287 A HN 0.199 nan 8.150 nan 0.000 0.444 288 M N -1.242 118.277 119.600 -0.134 0.000 2.419 288 M HA 0.016 4.497 4.480 0.000 0.000 0.264 288 M C 2.026 178.230 176.300 -0.159 0.000 1.082 288 M CA 0.617 55.825 55.300 -0.153 0.000 1.119 288 M CB -0.304 32.176 32.600 -0.201 0.000 1.398 288 M HN 0.404 nan 8.290 nan 0.000 0.453 289 L N 0.924 122.058 121.223 -0.149 0.000 2.131 289 L HA -0.195 4.146 4.340 0.000 0.000 0.210 289 L C 2.482 179.305 176.870 -0.079 0.000 1.092 289 L CA 1.880 56.647 54.840 -0.123 0.000 0.759 289 L CB -0.573 41.424 42.059 -0.104 0.000 0.903 289 L HN 0.251 nan 8.230 nan 0.000 0.435 290 Q N -0.589 119.170 119.800 -0.068 0.000 2.172 290 Q HA -0.172 4.168 4.340 0.000 0.000 0.200 290 Q C 1.714 177.687 176.000 -0.045 0.000 0.964 290 Q CA 1.819 57.593 55.803 -0.048 0.000 0.855 290 Q CB -0.199 28.513 28.738 -0.043 0.000 0.918 290 Q HN 0.527 nan 8.270 nan 0.000 0.444 291 D N -0.108 120.258 120.400 -0.057 0.000 2.144 291 D HA -0.108 4.532 4.640 0.000 0.000 0.200 291 D C 1.840 178.119 176.300 -0.035 0.000 0.978 291 D CA 1.113 55.085 54.000 -0.047 0.000 0.833 291 D CB -0.097 40.669 40.800 -0.057 0.000 0.961 291 D HN 0.370 nan 8.370 nan 0.000 0.470 292 I N 1.414 121.955 120.570 -0.049 0.000 2.286 292 I HA -0.256 3.914 4.170 0.000 0.000 0.248 292 I C 2.523 178.635 176.117 -0.008 0.000 1.115 292 I CA 0.945 62.230 61.300 -0.025 0.000 1.392 292 I CB -0.188 37.777 38.000 -0.058 0.000 1.065 292 I HN -0.082 nan 8.210 nan 0.000 0.418 293 A N 0.357 123.166 122.820 -0.017 0.000 1.877 293 A HA -0.217 4.103 4.320 0.000 0.000 0.216 293 A C 2.390 179.974 177.584 -0.000 0.000 1.186 293 A CA 2.531 54.566 52.037 -0.005 0.000 0.620 293 A CB -1.118 17.875 19.000 -0.011 0.000 0.822 293 A HN 0.382 nan 8.150 nan 0.000 0.443 294 T N -0.061 114.489 114.554 -0.007 0.000 2.821 294 T HA -0.109 4.241 4.350 0.000 0.000 0.267 294 T C 1.809 176.508 174.700 -0.000 0.000 1.046 294 T CA 1.443 63.540 62.100 -0.005 0.000 1.139 294 T CB -0.314 68.548 68.868 -0.011 0.000 0.871 294 T HN 0.304 nan 8.240 nan 0.000 0.454 295 L N 1.768 122.992 121.223 0.002 0.000 2.093 295 L HA -0.039 4.301 4.340 0.000 0.000 0.208 295 L C 2.486 179.362 176.870 0.011 0.000 1.085 295 L CA 1.983 56.828 54.840 0.008 0.000 0.755 295 L CB -0.837 41.231 42.059 0.015 0.000 0.904 295 L HN 0.409 nan 8.230 nan 0.000 0.435 296 T N -4.665 109.899 114.554 0.016 0.000 3.037 296 T HA 0.340 4.691 4.350 0.000 0.000 0.251 296 T C 1.364 176.076 174.700 0.020 0.000 1.079 296 T CA 0.288 62.400 62.100 0.020 0.000 1.067 296 T CB 0.011 68.899 68.868 0.033 0.000 0.948 296 T HN 0.575 nan 8.240 nan 0.000 0.496 297 G N 0.751 109.562 108.800 0.019 0.000 2.149 297 G HA2 0.044 4.005 3.960 0.000 0.000 0.235 297 G HA3 0.044 4.005 3.960 0.000 0.000 0.235 297 G C 0.287 175.207 174.900 0.034 0.000 1.018 297 G CA -0.264 44.850 45.100 0.023 0.000 0.728 297 G HN 1.000 nan 8.290 nan 0.000 0.508 298 G N -1.239 107.580 108.800 0.032 0.000 2.488 298 G HA2 0.702 4.663 3.960 0.000 0.000 0.318 298 G HA3 0.702 4.663 3.960 0.000 0.000 0.318 298 G C -0.138 174.775 174.900 0.022 0.000 1.188 298 G CA 0.223 45.345 45.100 0.037 0.000 0.944 298 G HN 0.501 nan 8.290 nan 0.000 0.495 299 T N 0.040 114.606 114.554 0.021 0.000 2.867 299 T HA 0.434 4.784 4.350 0.000 0.000 0.282 299 T C 0.035 174.738 174.700 0.005 0.000 1.000 299 T CA -0.246 61.860 62.100 0.010 0.000 1.042 299 T CB 1.692 70.565 68.868 0.009 0.000 0.973 299 T HN 0.268 nan 8.240 nan 0.000 0.465 300 V N 4.238 124.150 119.914 -0.003 0.000 2.432 300 V HA 0.347 4.468 4.120 0.000 0.000 0.275 300 V C -0.141 175.949 176.094 -0.007 0.000 1.043 300 V CA -0.679 61.616 62.300 -0.008 0.000 0.925 300 V CB 0.791 32.604 31.823 -0.017 0.000 0.985 300 V HN 0.671 nan 8.190 nan 0.000 0.466 301 I N 4.366 124.933 120.570 -0.006 0.000 2.353 301 I HA 0.474 4.644 4.170 0.000 0.000 0.293 301 I C 0.315 176.428 176.117 -0.007 0.000 0.992 301 I CA 0.628 61.925 61.300 -0.005 0.000 1.268 301 I CB 1.769 39.767 38.000 -0.003 0.000 1.387 301 I HN 0.629 nan 8.210 nan 0.000 0.478 302 S N 4.185 119.881 115.700 -0.007 0.000 2.557 302 S HA 0.346 4.816 4.470 0.000 0.000 0.291 302 S C 0.590 175.187 174.600 -0.005 0.000 1.116 302 S CA -0.571 57.624 58.200 -0.007 0.000 0.992 302 S CB 1.148 64.343 63.200 -0.010 0.000 1.028 302 S HN 0.749 nan 8.310 nan 0.000 0.484 303 E N 2.641 122.839 120.200 -0.003 0.000 2.299 303 E HA -0.016 4.334 4.350 0.000 0.000 0.193 303 E C 1.084 177.683 176.600 -0.002 0.000 0.998 303 E CA 0.661 57.060 56.400 -0.002 0.000 0.851 303 E CB 0.085 29.785 29.700 0.000 0.000 0.795 303 E HN 0.830 nan 8.360 nan 0.000 0.492 304 E N 0.368 120.567 120.200 -0.002 0.000 2.265 304 E HA -0.150 4.200 4.350 0.000 0.000 0.196 304 E C 1.702 178.300 176.600 -0.003 0.000 0.996 304 E CA 1.143 57.542 56.400 -0.002 0.000 0.832 304 E CB -0.084 29.614 29.700 -0.003 0.000 0.756 304 E HN 0.533 nan 8.360 nan 0.000 0.491 305 I N -4.262 116.305 120.570 -0.004 0.000 3.927 305 I HA 0.445 4.615 4.170 0.000 0.000 0.332 305 I C 0.853 176.968 176.117 -0.003 0.000 1.485 305 I CA 0.012 61.310 61.300 -0.004 0.000 1.131 305 I CB 0.503 38.500 38.000 -0.005 0.000 1.092 305 I HN 0.019 nan 8.210 nan 0.000 0.410 306 G N 2.106 110.905 108.800 -0.003 0.000 2.147 306 G HA2 -0.273 3.687 3.960 0.000 0.000 0.244 306 G HA3 -0.273 3.687 3.960 0.000 0.000 0.244 306 G C 0.102 175.000 174.900 -0.003 0.000 1.005 306 G CA 0.044 45.143 45.100 -0.002 0.000 0.713 306 G HN 0.475 nan 8.290 nan 0.000 0.515 307 M N 1.084 120.682 119.600 -0.003 0.000 2.251 307 M HA 0.180 4.660 4.480 0.000 0.000 0.346 307 M C 0.578 176.876 176.300 -0.003 0.000 1.499 307 M CA 0.477 55.775 55.300 -0.004 0.000 1.128 307 M CB 0.267 32.864 32.600 -0.004 0.000 1.809 307 M HN 0.214 nan 8.290 nan 0.000 0.464 308 E N 3.009 123.207 120.200 -0.004 0.000 2.081 308 E HA -0.044 4.306 4.350 0.000 0.000 0.270 308 E C 0.709 177.306 176.600 -0.006 0.000 1.180 308 E CA -0.308 56.089 56.400 -0.004 0.000 0.926 308 E CB 0.561 30.258 29.700 -0.005 0.000 1.035 308 E HN 0.539 nan 8.360 nan 0.000 0.418 309 L N 4.086 125.306 121.223 -0.005 0.000 2.265 309 L HA -0.174 4.166 4.340 0.000 0.000 0.215 309 L C 1.453 178.318 176.870 -0.010 0.000 1.117 309 L CA 1.694 56.531 54.840 -0.007 0.000 0.782 309 L CB -0.178 41.879 42.059 -0.004 0.000 0.914 309 L HN 0.492 nan 8.230 nan 0.000 0.441 310 E N 0.107 120.302 120.200 -0.009 0.000 2.501 310 E HA -0.212 4.138 4.350 0.000 0.000 0.203 310 E C 1.149 177.741 176.600 -0.013 0.000 1.072 310 E CA 1.048 57.442 56.400 -0.010 0.000 0.885 310 E CB -0.089 29.607 29.700 -0.007 0.000 0.813 310 E HN 0.638 nan 8.360 nan 0.000 0.556 311 K N -1.073 119.318 120.400 -0.015 0.000 2.554 311 K HA 0.331 4.651 4.320 0.000 0.000 0.211 311 K C 0.211 176.799 176.600 -0.021 0.000 1.226 311 K CA -0.167 56.110 56.287 -0.017 0.000 1.025 311 K CB 0.652 33.145 32.500 -0.012 0.000 1.021 311 K HN -0.039 nan 8.250 nan 0.000 0.600 312 A N 1.978 124.785 122.820 -0.023 0.000 2.425 312 A HA 0.379 4.699 4.320 0.000 0.000 0.242 312 A C 0.380 177.938 177.584 -0.044 0.000 1.077 312 A CA 0.382 52.403 52.037 -0.027 0.000 0.781 312 A CB 0.227 19.213 19.000 -0.023 0.000 1.020 312 A HN 0.513 nan 8.150 nan 0.000 0.494 313 T N -0.996 113.531 114.554 -0.046 0.000 2.910 313 T HA 0.525 4.875 4.350 0.000 0.000 0.287 313 T C 0.932 175.575 174.700 -0.095 0.000 1.050 313 T CA -0.704 61.356 62.100 -0.066 0.000 1.011 313 T CB 0.611 69.455 68.868 -0.039 0.000 1.195 313 T HN 0.383 nan 8.240 nan 0.000 0.540 314 L N -0.003 121.131 121.223 -0.149 0.000 2.349 314 L HA -0.028 4.313 4.340 0.000 0.000 0.220 314 L C 2.732 179.627 176.870 0.041 0.000 1.130 314 L CA 1.461 56.183 54.840 -0.196 0.000 0.791 314 L CB -0.509 41.406 42.059 -0.240 0.000 0.918 314 L HN 0.848 nan 8.230 nan 0.000 0.444 315 E N 0.087 120.306 120.200 0.032 0.000 2.170 315 E HA -0.157 4.194 4.350 0.000 0.000 0.191 315 E C 1.417 178.046 176.600 0.050 0.000 0.981 315 E CA 0.602 57.036 56.400 0.057 0.000 0.830 315 E CB 0.275 29.996 29.700 0.034 0.000 0.775 315 E HN 0.483 nan 8.360 nan 0.000 0.470 316 D N 0.446 120.862 120.400 0.026 0.000 2.269 316 D HA -0.050 4.591 4.640 0.000 0.000 0.208 316 D C 0.671 176.996 176.300 0.042 0.000 0.963 316 D CA 0.416 54.430 54.000 0.023 0.000 0.864 316 D CB 0.248 41.050 40.800 0.004 0.000 0.936 316 D HN 0.225 nan 8.370 nan 0.000 0.505 317 L N 0.963 122.224 121.223 0.063 0.000 2.452 317 L HA 0.228 4.568 4.340 0.000 0.000 0.267 317 L C 1.367 178.331 176.870 0.157 0.000 1.188 317 L CA -0.402 54.512 54.840 0.123 0.000 0.821 317 L CB 0.610 42.772 42.059 0.172 0.000 1.102 317 L HN -0.100 nan 8.230 nan 0.000 0.470 318 G N 0.989 109.873 108.800 0.140 0.000 2.547 318 G HA2 0.538 4.498 3.960 0.000 0.000 0.291 318 G HA3 0.538 4.498 3.960 0.000 0.000 0.291 318 G C -0.887 174.079 174.900 0.110 0.000 1.211 318 G CA -0.357 44.805 45.100 0.104 0.000 0.950 318 G HN 0.622 nan 8.290 nan 0.000 0.504 319 Q N -1.620 118.192 119.800 0.019 0.000 2.553 319 Q HA 0.644 4.984 4.340 0.000 0.000 0.293 319 Q C -0.890 175.078 176.000 -0.054 0.000 1.038 319 Q CA -0.926 54.830 55.803 -0.079 0.000 0.777 319 Q CB 2.610 31.221 28.738 -0.212 0.000 1.487 319 Q HN 0.819 nan 8.270 nan 0.000 0.426 320 A N 0.342 123.117 122.820 -0.075 0.000 2.566 320 A HA 0.440 4.760 4.320 0.000 0.000 0.292 320 A C -0.237 177.310 177.584 -0.062 0.000 1.112 320 A CA -0.540 51.469 52.037 -0.048 0.000 0.707 320 A CB 1.765 20.753 19.000 -0.020 0.000 1.302 320 A HN 0.745 nan 8.150 nan 0.000 0.409 321 K N -0.334 120.040 120.400 -0.044 0.000 2.007 321 K HA 0.033 4.354 4.320 0.000 0.000 0.206 321 K C 0.254 176.833 176.600 -0.034 0.000 1.047 321 K CA 1.177 57.439 56.287 -0.041 0.000 0.937 321 K CB -0.002 32.480 32.500 -0.030 0.000 0.718 321 K HN 0.678 nan 8.250 nan 0.000 0.438 322 R N -0.498 119.986 120.500 -0.026 0.000 2.774 322 R HA 0.452 4.793 4.340 0.000 0.000 0.272 322 R C -1.535 174.752 176.300 -0.022 0.000 1.000 322 R CA -0.952 55.136 56.100 -0.021 0.000 0.906 322 R CB 2.484 32.774 30.300 -0.017 0.000 1.227 322 R HN -0.146 nan 8.270 nan 0.000 0.468 323 V N 1.469 121.370 119.914 -0.022 0.000 2.709 323 V HA 0.518 4.638 4.120 0.000 0.000 0.308 323 V C -0.732 175.336 176.094 -0.044 0.000 1.062 323 V CA -0.811 61.468 62.300 -0.036 0.000 0.901 323 V CB 2.214 34.018 31.823 -0.031 0.000 1.003 323 V HN 0.452 nan 8.190 nan 0.000 0.425 324 V N 5.576 125.453 119.914 -0.062 0.000 2.588 324 V HA 0.610 4.730 4.120 0.000 0.000 0.304 324 V C -0.566 175.481 176.094 -0.078 0.000 1.042 324 V CA -0.396 61.872 62.300 -0.053 0.000 0.877 324 V CB 2.012 33.812 31.823 -0.038 0.000 0.996 324 V HN 0.717 nan 8.190 nan 0.000 0.425 325 I N 4.482 125.024 120.570 -0.046 0.000 2.582 325 I HA 0.564 4.734 4.170 0.000 0.000 0.292 325 I C -0.474 175.703 176.117 0.100 0.000 1.066 325 I CA -0.525 60.757 61.300 -0.030 0.000 1.053 325 I CB 2.371 40.346 38.000 -0.043 0.000 1.241 325 I HN 0.858 nan 8.210 nan 0.000 0.421 326 N N 3.952 122.682 118.700 0.050 0.000 3.294 326 N HA 0.316 5.056 4.740 0.000 0.000 0.355 326 N C 0.193 175.550 175.510 -0.256 0.000 1.497 326 N CA -0.916 52.191 53.050 0.096 0.000 0.707 326 N CB 0.590 39.091 38.487 0.023 0.000 1.732 326 N HN 0.389 nan 8.380 nan 0.000 0.640 327 K N -1.172 119.073 120.400 -0.257 0.000 2.442 327 K HA -0.001 4.319 4.320 0.000 0.000 0.198 327 K C -0.479 175.914 176.600 -0.344 0.000 1.042 327 K CA 1.124 57.125 56.287 -0.476 0.000 0.958 327 K CB -0.079 32.327 32.500 -0.156 0.000 0.766 327 K HN 0.530 nan 8.250 nan 0.000 0.474 328 D N -0.791 119.471 120.400 -0.229 0.000 2.267 328 D HA -0.003 4.637 4.640 0.000 0.000 0.297 328 D C 0.072 176.298 176.300 -0.125 0.000 1.087 328 D CA 0.374 54.287 54.000 -0.145 0.000 0.864 328 D CB 1.243 41.991 40.800 -0.086 0.000 1.557 328 D HN 0.217 nan 8.370 nan 0.000 0.523 329 T N -1.053 113.408 114.554 -0.155 0.000 2.883 329 T HA 0.530 4.880 4.350 0.000 0.000 0.301 329 T C -0.648 173.887 174.700 -0.275 0.000 1.158 329 T CA -0.507 61.481 62.100 -0.186 0.000 1.007 329 T CB 2.566 71.346 68.868 -0.147 0.000 1.186 329 T HN -0.313 nan 8.240 nan 0.000 0.499 330 T N 2.213 116.460 114.554 -0.512 0.000 2.797 330 T HA 0.638 4.988 4.350 0.000 0.000 0.279 330 T C -0.592 173.727 174.700 -0.635 0.000 0.991 330 T CA -0.473 61.250 62.100 -0.629 0.000 0.979 330 T CB 1.369 69.665 68.868 -0.953 0.000 0.943 330 T HN 0.794 nan 8.240 nan 0.000 0.444 331 T N 4.020 118.369 114.554 -0.342 0.000 2.791 331 T HA 0.477 4.827 4.350 0.000 0.000 0.288 331 T C 0.185 174.801 174.700 -0.141 0.000 0.999 331 T CA -0.505 61.467 62.100 -0.213 0.000 0.952 331 T CB 0.399 69.190 68.868 -0.129 0.000 0.938 331 T HN 0.446 nan 8.240 nan 0.000 0.444 332 I N 4.229 124.746 120.570 -0.088 0.000 2.322 332 I HA 0.289 4.459 4.170 0.000 0.000 0.292 332 I C 0.348 176.453 176.117 -0.020 0.000 1.060 332 I CA -0.411 60.873 61.300 -0.026 0.000 1.309 332 I CB 0.575 38.597 38.000 0.036 0.000 1.415 332 I HN 0.550 nan 8.210 nan 0.000 0.492 333 I N 6.233 126.789 120.570 -0.024 0.000 2.213 333 I HA 0.101 4.272 4.170 0.000 0.000 0.295 333 I C -0.314 175.794 176.117 -0.015 0.000 1.172 333 I CA 0.017 61.306 61.300 -0.020 0.000 1.443 333 I CB -0.770 37.217 38.000 -0.023 0.000 1.491 333 I HN 0.675 nan 8.210 nan 0.000 0.652 334 D N 3.828 124.223 120.400 -0.009 0.000 5.148 334 D HA -0.099 4.542 4.640 0.000 0.000 0.234 334 D C 0.343 176.639 176.300 -0.007 0.000 1.348 334 D CA 0.858 54.854 54.000 -0.007 0.000 1.228 334 D CB 0.199 40.992 40.800 -0.011 0.000 0.664 334 D HN 0.680 nan 8.370 nan 0.000 0.328 335 G N 2.020 110.822 108.800 0.003 0.000 2.483 335 G HA2 0.389 4.349 3.960 0.000 0.000 0.248 335 G HA3 0.389 4.349 3.960 0.000 0.000 0.248 335 G C 1.433 176.329 174.900 -0.006 0.000 1.248 335 G CA -0.278 44.824 45.100 0.003 0.000 0.838 335 G HN 0.460 nan 8.290 nan 0.000 0.566 336 V N 2.708 122.614 119.914 -0.014 0.000 2.222 336 V HA 0.190 4.310 4.120 0.000 0.000 0.240 336 V C 1.947 178.037 176.094 -0.007 0.000 1.040 336 V CA 2.095 64.384 62.300 -0.017 0.000 0.988 336 V CB -1.623 30.183 31.823 -0.028 0.000 0.633 336 V HN 1.881 nan 8.190 nan 0.000 0.452 337 G N 0.609 109.409 108.800 -0.001 0.000 3.000 337 G HA2 -0.180 3.781 3.960 0.000 0.000 0.686 337 G HA3 -0.180 3.781 3.960 0.000 0.000 0.686 337 G C -0.656 174.244 174.900 0.000 0.000 1.114 337 G CA -0.319 44.782 45.100 0.002 0.000 0.902 337 G HN 0.585 nan 8.290 nan 0.000 0.564 338 E N 1.386 121.587 120.200 0.002 0.000 2.070 338 E HA 0.345 4.695 4.350 0.000 0.000 0.282 338 E C 1.155 177.755 176.600 -0.001 0.000 1.104 338 E CA 0.006 56.407 56.400 0.001 0.000 0.876 338 E CB 1.354 31.056 29.700 0.003 0.000 1.055 338 E HN 0.682 nan 8.360 nan 0.000 0.401 339 E N 3.809 124.008 120.200 -0.002 0.000 2.114 339 E HA -0.290 4.061 4.350 0.000 0.000 0.199 339 E C 1.642 178.240 176.600 -0.003 0.000 1.008 339 E CA 1.880 58.278 56.400 -0.003 0.000 0.810 339 E CB -0.082 29.616 29.700 -0.003 0.000 0.739 339 E HN 0.592 nan 8.360 nan 0.000 0.456 340 A N -0.058 122.761 122.820 -0.002 0.000 2.070 340 A HA 0.029 4.349 4.320 0.000 0.000 0.220 340 A C 2.258 179.840 177.584 -0.003 0.000 1.159 340 A CA 1.842 53.877 52.037 -0.003 0.000 0.656 340 A CB -0.581 18.418 19.000 -0.002 0.000 0.800 340 A HN 0.401 nan 8.150 nan 0.000 0.453 341 A N -0.425 122.393 122.820 -0.003 0.000 1.956 341 A HA 0.242 4.563 4.320 0.000 0.000 0.212 341 A C 1.970 179.550 177.584 -0.006 0.000 1.188 341 A CA 0.692 52.726 52.037 -0.004 0.000 0.675 341 A CB -0.342 18.656 19.000 -0.003 0.000 0.845 341 A HN 0.400 nan 8.150 nan 0.000 0.455 342 I N 0.053 120.620 120.570 -0.005 0.000 2.099 342 I HA -0.364 3.806 4.170 0.000 0.000 0.239 342 I C 2.774 178.887 176.117 -0.008 0.000 1.066 342 I CA 1.758 63.054 61.300 -0.006 0.000 1.324 342 I CB -0.555 37.442 38.000 -0.005 0.000 1.037 342 I HN 0.415 nan 8.210 nan 0.000 0.401 343 Q N 0.519 120.315 119.800 -0.007 0.000 2.096 343 Q HA -0.164 4.176 4.340 0.000 0.000 0.204 343 Q C 2.381 178.376 176.000 -0.009 0.000 0.982 343 Q CA 1.691 57.490 55.803 -0.007 0.000 0.850 343 Q CB -0.477 28.257 28.738 -0.006 0.000 0.901 343 Q HN 0.686 nan 8.270 nan 0.000 0.422 344 G N 1.037 109.832 108.800 -0.008 0.000 2.418 344 G HA2 -0.265 3.695 3.960 0.000 0.000 0.217 344 G HA3 -0.265 3.695 3.960 0.000 0.000 0.217 344 G C 1.563 176.456 174.900 -0.011 0.000 1.158 344 G CA 0.349 45.444 45.100 -0.009 0.000 0.771 344 G HN 0.077 nan 8.290 nan 0.000 0.545 345 R N 0.319 120.812 120.500 -0.012 0.000 2.075 345 R HA 0.015 4.356 4.340 0.000 0.000 0.232 345 R C 2.725 179.014 176.300 -0.017 0.000 1.126 345 R CA 0.997 57.087 56.100 -0.015 0.000 0.963 345 R CB -0.922 29.368 30.300 -0.015 0.000 0.858 345 R HN 0.300 nan 8.270 nan 0.000 0.435 346 V N 1.058 120.963 119.914 -0.015 0.000 2.343 346 V HA -0.209 3.911 4.120 0.000 0.000 0.247 346 V C 2.535 178.619 176.094 -0.016 0.000 1.051 346 V CA 1.813 64.103 62.300 -0.016 0.000 1.036 346 V CB -0.831 30.984 31.823 -0.013 0.000 0.654 346 V HN 0.388 nan 8.190 nan 0.000 0.451 347 A N -0.977 121.834 122.820 -0.014 0.000 1.933 347 A HA -0.302 4.018 4.320 0.000 0.000 0.218 347 A C 2.246 179.821 177.584 -0.015 0.000 1.175 347 A CA 2.049 54.078 52.037 -0.013 0.000 0.628 347 A CB -0.536 18.458 19.000 -0.011 0.000 0.814 347 A HN 0.585 nan 8.150 nan 0.000 0.444 348 Q N -0.521 119.270 119.800 -0.016 0.000 2.167 348 Q HA -0.116 4.225 4.340 0.000 0.000 0.202 348 Q C 1.895 177.881 176.000 -0.022 0.000 0.970 348 Q CA 1.408 57.200 55.803 -0.018 0.000 0.855 348 Q CB -0.208 28.519 28.738 -0.018 0.000 0.911 348 Q HN 0.748 nan 8.270 nan 0.000 0.438 349 I N -0.095 120.461 120.570 -0.025 0.000 2.315 349 I HA -0.255 3.915 4.170 0.000 0.000 0.248 349 I C 2.629 178.729 176.117 -0.028 0.000 1.117 349 I CA 0.881 62.163 61.300 -0.030 0.000 1.404 349 I CB -0.280 37.701 38.000 -0.032 0.000 1.071 349 I HN 0.160 nan 8.210 nan 0.000 0.419 350 R N 0.730 121.216 120.500 -0.023 0.000 2.105 350 R HA -0.238 4.102 4.340 0.000 0.000 0.239 350 R C 2.430 178.718 176.300 -0.020 0.000 1.135 350 R CA 1.554 57.642 56.100 -0.021 0.000 0.967 350 R CB -0.248 30.042 30.300 -0.018 0.000 0.861 350 R HN 0.381 nan 8.270 nan 0.000 0.442 351 Q N 0.915 120.704 119.800 -0.019 0.000 2.030 351 Q HA -0.251 4.089 4.340 0.000 0.000 0.204 351 Q C 1.758 177.746 176.000 -0.020 0.000 0.986 351 Q CA 1.999 57.791 55.803 -0.017 0.000 0.843 351 Q CB -0.151 28.578 28.738 -0.015 0.000 0.904 351 Q HN 0.524 nan 8.270 nan 0.000 0.420 352 Q N -0.026 119.759 119.800 -0.025 0.000 2.170 352 Q HA -0.081 4.259 4.340 0.000 0.000 0.203 352 Q C 2.255 178.235 176.000 -0.033 0.000 0.976 352 Q CA 1.387 57.172 55.803 -0.030 0.000 0.858 352 Q CB -0.063 28.653 28.738 -0.037 0.000 0.907 352 Q HN 0.451 nan 8.270 nan 0.000 0.433 353 I N 0.424 120.974 120.570 -0.033 0.000 2.202 353 I HA -0.228 3.942 4.170 0.000 0.000 0.242 353 I C 2.387 178.490 176.117 -0.024 0.000 1.091 353 I CA 0.884 62.164 61.300 -0.033 0.000 1.368 353 I CB -0.167 37.813 38.000 -0.033 0.000 1.058 353 I HN 0.159 nan 8.210 nan 0.000 0.410 354 E N 1.151 121.339 120.200 -0.020 0.000 2.153 354 E HA -0.226 4.124 4.350 0.000 0.000 0.194 354 E C 1.630 178.225 176.600 -0.010 0.000 0.988 354 E CA 1.280 57.672 56.400 -0.014 0.000 0.811 354 E CB -0.038 29.655 29.700 -0.012 0.000 0.746 354 E HN 0.677 nan 8.360 nan 0.000 0.466 355 E N -0.203 119.991 120.200 -0.011 0.000 2.444 355 E HA 0.306 4.656 4.350 0.000 0.000 0.191 355 E C 0.138 176.733 176.600 -0.008 0.000 1.041 355 E CA -0.154 56.242 56.400 -0.007 0.000 0.883 355 E CB 0.291 29.986 29.700 -0.008 0.000 1.024 355 E HN -0.028 nan 8.360 nan 0.000 0.470 356 A N 1.461 124.274 122.820 -0.013 0.000 2.540 356 A HA 0.092 4.412 4.320 0.000 0.000 0.239 356 A C 1.169 178.753 177.584 -0.000 0.000 1.061 356 A CA 0.501 52.529 52.037 -0.015 0.000 0.758 356 A CB 0.218 19.203 19.000 -0.024 0.000 0.991 356 A HN 0.376 nan 8.150 nan 0.000 0.502 357 T N -1.041 113.516 114.554 0.004 0.000 3.086 357 T HA 0.404 4.754 4.350 0.000 0.000 0.250 357 T C 0.468 175.187 174.700 0.032 0.000 1.074 357 T CA 0.474 62.584 62.100 0.017 0.000 0.988 357 T CB -0.698 68.180 68.868 0.016 0.000 0.988 357 T HN 1.665 nan 8.240 nan 0.000 0.530 358 S N -0.646 115.077 115.700 0.038 0.000 2.636 358 S HA 0.311 4.782 4.470 0.000 0.000 0.266 358 S C -0.621 174.020 174.600 0.068 0.000 1.147 358 S CA -0.726 57.511 58.200 0.062 0.000 0.815 358 S CB 0.787 64.043 63.200 0.093 0.000 1.119 358 S HN -0.088 nan 8.310 nan 0.000 0.470 359 D N 0.116 120.571 120.400 0.091 0.000 2.144 359 D HA -0.075 4.565 4.640 0.000 0.000 0.199 359 D C 1.408 177.789 176.300 0.136 0.000 0.984 359 D CA 1.606 55.665 54.000 0.099 0.000 0.834 359 D CB -0.292 40.571 40.800 0.105 0.000 0.955 359 D HN 0.584 nan 8.370 nan 0.000 0.465 360 Y N 2.288 122.601 120.300 0.022 0.000 2.293 360 Y HA -0.150 4.401 4.550 0.001 0.000 0.291 360 Y C 1.697 177.604 175.900 0.012 0.000 1.137 360 Y CA 1.124 59.238 58.100 0.023 0.000 1.202 360 Y CB -0.071 38.407 38.460 0.032 0.000 0.990 360 Y HN -0.133 nan 8.280 nan 0.000 0.537 361 D N -0.230 120.134 120.400 -0.059 0.000 2.097 361 D HA -0.146 4.494 4.640 0.000 0.000 0.197 361 D C 2.231 178.468 176.300 -0.105 0.000 0.984 361 D CA 1.280 55.202 54.000 -0.131 0.000 0.826 361 D CB -0.220 40.550 40.800 -0.050 0.000 0.973 361 D HN 0.357 nan 8.370 nan 0.000 0.460 362 R N 0.968 121.443 120.500 -0.043 0.000 2.103 362 R HA -0.146 4.194 4.340 0.000 0.000 0.242 362 R C 2.283 178.553 176.300 -0.051 0.000 1.142 362 R CA 1.202 57.280 56.100 -0.037 0.000 0.960 362 R CB -0.152 30.141 30.300 -0.012 0.000 0.858 362 R HN 0.344 nan 8.270 nan 0.000 0.439 363 E N 0.839 121.014 120.200 -0.042 0.000 2.007 363 E HA -0.248 4.102 4.350 0.000 0.000 0.203 363 E C 1.824 178.363 176.600 -0.102 0.000 1.020 363 E CA 1.856 58.229 56.400 -0.045 0.000 0.845 363 E CB -0.140 29.565 29.700 0.009 0.000 0.779 363 E HN 0.385 nan 8.360 nan 0.000 0.466 364 K N 0.606 120.887 120.400 -0.199 0.000 2.515 364 K HA -0.075 4.245 4.320 0.000 0.000 0.196 364 K C 1.674 178.174 176.600 -0.166 0.000 1.038 364 K CA 0.733 56.885 56.287 -0.225 0.000 0.967 364 K CB 0.219 32.485 32.500 -0.389 0.000 0.780 364 K HN 0.072 nan 8.250 nan 0.000 0.483 365 L N 1.936 123.080 121.223 -0.132 0.000 2.221 365 L HA -0.042 4.298 4.340 0.000 0.000 0.202 365 L C 2.811 179.639 176.870 -0.070 0.000 1.074 365 L CA 1.575 56.359 54.840 -0.094 0.000 0.795 365 L CB -1.274 40.737 42.059 -0.080 0.000 0.960 365 L HN 0.437 nan 8.230 nan 0.000 0.458 366 Q N -0.014 119.749 119.800 -0.062 0.000 2.119 366 Q HA -0.196 4.145 4.340 0.000 0.000 0.201 366 Q C 1.547 177.522 176.000 -0.042 0.000 0.972 366 Q CA 1.390 57.165 55.803 -0.047 0.000 0.847 366 Q CB -0.375 28.337 28.738 -0.045 0.000 0.903 366 Q HN 0.456 nan 8.270 nan 0.000 0.433 367 E N 0.946 121.119 120.200 -0.045 0.000 2.147 367 E HA -0.215 4.136 4.350 0.000 0.000 0.199 367 E C 2.029 178.609 176.600 -0.034 0.000 1.005 367 E CA 1.536 57.914 56.400 -0.036 0.000 0.810 367 E CB -0.044 29.628 29.700 -0.046 0.000 0.736 367 E HN 0.441 nan 8.360 nan 0.000 0.460 368 R N 0.103 120.576 120.500 -0.045 0.000 2.276 368 R HA -0.056 4.285 4.340 0.000 0.000 0.203 368 R C 2.385 178.667 176.300 -0.030 0.000 1.017 368 R CA 0.847 56.922 56.100 -0.042 0.000 1.010 368 R CB 0.076 30.343 30.300 -0.056 0.000 0.900 368 R HN 0.177 nan 8.270 nan 0.000 0.469 369 V N -3.245 116.653 119.914 -0.028 0.000 2.725 369 V HA 0.193 4.313 4.120 0.000 0.000 0.247 369 V C 2.150 178.235 176.094 -0.015 0.000 1.058 369 V CA 1.144 63.431 62.300 -0.021 0.000 1.080 369 V CB -0.241 31.569 31.823 -0.022 0.000 0.713 369 V HN 0.137 nan 8.190 nan 0.000 0.465 370 A N 0.839 123.650 122.820 -0.015 0.000 1.898 370 A HA -0.068 4.252 4.320 0.000 0.000 0.216 370 A C 2.127 179.710 177.584 -0.003 0.000 1.181 370 A CA 1.697 53.728 52.037 -0.010 0.000 0.620 370 A CB -0.501 18.493 19.000 -0.011 0.000 0.819 370 A HN 0.584 nan 8.150 nan 0.000 0.442 371 K N -0.707 119.693 120.400 0.000 0.000 2.546 371 K HA 0.373 4.693 4.320 0.000 0.000 0.198 371 K C 0.205 176.813 176.600 0.013 0.000 1.028 371 K CA -0.024 56.271 56.287 0.014 0.000 1.150 371 K CB -0.062 32.452 32.500 0.023 0.000 0.876 371 K HN 0.446 nan 8.250 nan 0.000 0.508 372 L N -2.082 119.142 121.223 0.002 0.000 3.140 372 L HA 0.269 4.610 4.340 0.000 0.000 0.220 372 L C 1.646 178.515 176.870 -0.002 0.000 1.508 372 L CA 0.029 54.869 54.840 0.001 0.000 2.372 372 L CB -0.526 41.530 42.059 -0.006 0.000 2.266 372 L HN -0.062 nan 8.230 nan 0.000 0.788 373 A N 0.065 122.882 122.820 -0.005 0.000 1.970 373 A HA 0.163 4.484 4.320 0.000 0.000 0.216 373 A C 1.485 179.066 177.584 -0.006 0.000 1.170 373 A CA 1.400 53.434 52.037 -0.006 0.000 0.645 373 A CB -0.984 18.012 19.000 -0.007 0.000 0.816 373 A HN 0.571 nan 8.150 nan 0.000 0.447 374 G N -1.000 107.796 108.800 -0.007 0.000 3.022 374 G HA2 0.454 4.414 3.960 0.000 0.000 0.157 374 G HA3 0.454 4.414 3.960 0.000 0.000 0.157 374 G C 0.371 175.267 174.900 -0.006 0.000 1.691 374 G CA 0.246 45.341 45.100 -0.008 0.000 1.079 374 G HN 1.098 nan 8.290 nan 0.000 0.549 375 G N -2.114 106.682 108.800 -0.007 0.000 2.696 375 G HA2 0.564 4.524 3.960 0.000 0.000 0.295 375 G HA3 0.564 4.524 3.960 0.000 0.000 0.295 375 G C -1.345 173.552 174.900 -0.006 0.000 1.398 375 G CA -0.286 44.811 45.100 -0.006 0.000 0.920 375 G HN 0.778 nan 8.290 nan 0.000 0.492 376 V N -0.371 119.541 119.914 -0.004 0.000 2.834 376 V HA 0.952 5.072 4.120 0.000 0.000 0.313 376 V C 0.532 176.625 176.094 -0.003 0.000 1.060 376 V CA -0.401 61.897 62.300 -0.003 0.000 0.989 376 V CB 1.095 32.918 31.823 0.001 0.000 1.041 376 V HN 1.629 nan 8.190 nan 0.000 0.459 377 A N 1.949 124.768 122.820 -0.001 0.000 2.612 377 A HA 0.869 5.189 4.320 0.000 0.000 0.293 377 A C -1.506 176.079 177.584 0.002 0.000 1.075 377 A CA -0.549 51.488 52.037 -0.001 0.000 0.680 377 A CB 2.046 21.045 19.000 -0.001 0.000 1.279 377 A HN 0.992 nan 8.150 nan 0.000 0.411 378 V N 1.590 121.506 119.914 0.002 0.000 2.668 378 V HA 0.403 4.523 4.120 0.000 0.000 0.304 378 V C -0.744 175.352 176.094 0.004 0.000 1.071 378 V CA -0.170 62.133 62.300 0.004 0.000 0.894 378 V CB 1.720 33.546 31.823 0.004 0.000 1.008 378 V HN 0.743 nan 8.190 nan 0.000 0.425 379 I N 4.052 124.626 120.570 0.006 0.000 2.312 379 I HA 0.328 4.498 4.170 0.000 0.000 0.291 379 I C 0.369 176.490 176.117 0.006 0.000 1.031 379 I CA -0.316 60.987 61.300 0.006 0.000 1.293 379 I CB 0.905 38.909 38.000 0.008 0.000 1.403 379 I HN 0.514 nan 8.210 nan 0.000 0.484 380 K N 5.710 126.113 120.400 0.004 0.000 2.310 380 K HA 0.287 4.607 4.320 0.000 0.000 0.290 380 K C -0.540 176.062 176.600 0.004 0.000 1.077 380 K CA -0.458 55.831 56.287 0.004 0.000 0.922 380 K CB 1.022 33.523 32.500 0.002 0.000 1.057 380 K HN 0.346 nan 8.250 nan 0.000 0.479 381 V N 2.894 122.811 119.914 0.005 0.000 2.540 381 V HA 0.009 4.129 4.120 0.000 0.000 0.297 381 V C 0.978 177.075 176.094 0.004 0.000 1.024 381 V CA 0.061 62.364 62.300 0.005 0.000 1.105 381 V CB 0.760 32.586 31.823 0.006 0.000 0.938 381 V HN 0.892 nan 8.190 nan 0.000 0.482 382 G N 3.874 112.676 108.800 0.003 0.000 2.350 382 G HA2 0.653 4.614 3.960 0.000 0.000 0.306 382 G HA3 0.653 4.614 3.960 0.000 0.000 0.306 382 G C -0.287 174.614 174.900 0.002 0.000 1.094 382 G CA 0.350 45.451 45.100 0.002 0.000 0.953 382 G HN 1.290 nan 8.290 nan 0.000 0.420 383 A N 1.391 124.213 122.820 0.002 0.000 2.565 383 A HA 0.757 5.077 4.320 0.000 0.000 0.298 383 A C 0.463 178.049 177.584 0.002 0.000 1.062 383 A CA 0.242 52.280 52.037 0.002 0.000 0.723 383 A CB 0.759 19.761 19.000 0.003 0.000 1.282 383 A HN 1.548 nan 8.150 nan 0.000 0.400 384 A N 1.028 123.849 122.820 0.002 0.000 1.850 384 A HA 0.413 4.733 4.320 0.000 0.000 0.212 384 A C 1.519 179.104 177.584 0.002 0.000 1.208 384 A CA 2.143 54.181 52.037 0.002 0.000 0.609 384 A CB -0.888 18.112 19.000 0.001 0.000 0.860 384 A HN 1.916 nan 8.150 nan 0.000 0.448 385 T N -3.219 111.337 114.554 0.003 0.000 2.824 385 T HA 0.378 4.728 4.350 0.000 0.000 0.277 385 T C 0.701 175.403 174.700 0.004 0.000 0.975 385 T CA 0.152 62.254 62.100 0.003 0.000 0.966 385 T CB 1.539 70.409 68.868 0.003 0.000 1.054 385 T HN 0.345 nan 8.240 nan 0.000 0.533 386 E N -0.393 119.810 120.200 0.005 0.000 2.122 386 E HA -0.077 4.273 4.350 0.000 0.000 0.190 386 E C 2.226 178.830 176.600 0.006 0.000 0.977 386 E CA 0.924 57.328 56.400 0.006 0.000 0.820 386 E CB -0.120 29.584 29.700 0.007 0.000 0.770 386 E HN 0.620 nan 8.360 nan 0.000 0.462 387 V N -0.417 119.501 119.914 0.006 0.000 2.380 387 V HA -0.268 3.853 4.120 0.000 0.000 0.251 387 V C 2.123 178.220 176.094 0.005 0.000 1.063 387 V CA 2.331 64.635 62.300 0.006 0.000 1.055 387 V CB -0.715 31.111 31.823 0.006 0.000 0.657 387 V HN 0.214 nan 8.190 nan 0.000 0.455 388 E N -0.337 119.865 120.200 0.004 0.000 2.072 388 E HA -0.202 4.148 4.350 0.000 0.000 0.190 388 E C 2.128 178.730 176.600 0.004 0.000 0.982 388 E CA 1.354 57.756 56.400 0.003 0.000 0.803 388 E CB -0.175 29.526 29.700 0.003 0.000 0.755 388 E HN 0.559 nan 8.360 nan 0.000 0.453 389 M N 1.230 120.833 119.600 0.004 0.000 2.106 389 M HA -0.195 4.285 4.480 0.000 0.000 0.259 389 M C 1.738 178.041 176.300 0.006 0.000 1.068 389 M CA 1.799 57.102 55.300 0.005 0.000 1.100 389 M CB 0.030 32.633 32.600 0.005 0.000 1.351 389 M HN -0.083 nan 8.290 nan 0.000 0.404 390 K N -0.460 119.944 120.400 0.006 0.000 2.025 390 K HA -0.205 4.115 4.320 0.000 0.000 0.207 390 K C 1.855 178.459 176.600 0.005 0.000 1.049 390 K CA 1.804 58.094 56.287 0.006 0.000 0.933 390 K CB -0.322 32.182 32.500 0.007 0.000 0.714 390 K HN 0.564 nan 8.250 nan 0.000 0.438 391 E N 1.476 121.679 120.200 0.005 0.000 2.072 391 E HA -0.207 4.143 4.350 0.000 0.000 0.191 391 E C 1.866 178.468 176.600 0.004 0.000 0.985 391 E CA 1.401 57.804 56.400 0.004 0.000 0.801 391 E CB -0.056 29.645 29.700 0.003 0.000 0.750 391 E HN -0.013 nan 8.360 nan 0.000 0.452 392 K N 1.144 121.547 120.400 0.005 0.000 2.025 392 K HA -0.095 4.225 4.320 0.000 0.000 0.207 392 K C 2.135 178.740 176.600 0.007 0.000 1.049 392 K CA 1.908 58.199 56.287 0.005 0.000 0.933 392 K CB -0.236 32.266 32.500 0.005 0.000 0.714 392 K HN 0.163 nan 8.250 nan 0.000 0.438 393 K N -0.280 120.125 120.400 0.008 0.000 2.032 393 K HA -0.175 4.145 4.320 0.000 0.000 0.209 393 K C 1.946 178.553 176.600 0.012 0.000 1.048 393 K CA 1.533 57.827 56.287 0.011 0.000 0.927 393 K CB -0.332 32.175 32.500 0.011 0.000 0.712 393 K HN 0.219 nan 8.250 nan 0.000 0.441 394 A N 1.556 124.382 122.820 0.009 0.000 1.865 394 A HA -0.195 4.125 4.320 0.000 0.000 0.217 394 A C 2.127 179.715 177.584 0.007 0.000 1.191 394 A CA 1.709 53.750 52.037 0.006 0.000 0.623 394 A CB -0.574 18.427 19.000 0.002 0.000 0.826 394 A HN 0.356 nan 8.150 nan 0.000 0.444 395 R N -0.771 119.732 120.500 0.006 0.000 2.081 395 R HA -0.087 4.254 4.340 0.000 0.000 0.235 395 R C 2.035 178.343 176.300 0.013 0.000 1.131 395 R CA 1.485 57.589 56.100 0.007 0.000 0.960 395 R CB -0.578 29.725 30.300 0.004 0.000 0.856 395 R HN 0.422 nan 8.270 nan 0.000 0.436 396 V N 1.197 121.120 119.914 0.014 0.000 2.358 396 V HA -0.178 3.942 4.120 0.000 0.000 0.246 396 V C 2.279 178.391 176.094 0.030 0.000 1.047 396 V CA 1.543 63.855 62.300 0.019 0.000 1.035 396 V CB -0.386 31.447 31.823 0.016 0.000 0.658 396 V HN 0.250 nan 8.190 nan 0.000 0.452 397 E N 0.200 120.419 120.200 0.031 0.000 2.085 397 E HA -0.217 4.133 4.350 0.000 0.000 0.194 397 E C 1.806 178.448 176.600 0.070 0.000 0.994 397 E CA 1.518 57.946 56.400 0.047 0.000 0.801 397 E CB -0.167 29.556 29.700 0.037 0.000 0.743 397 E HN 0.621 nan 8.360 nan 0.000 0.453 398 D N -0.735 119.691 120.400 0.044 0.000 2.355 398 D HA 0.090 4.730 4.640 0.000 0.000 0.206 398 D C 1.674 178.011 176.300 0.062 0.000 1.010 398 D CA 0.606 54.629 54.000 0.038 0.000 0.875 398 D CB 0.172 40.954 40.800 -0.031 0.000 0.966 398 D HN 0.058 nan 8.370 nan 0.000 0.512 399 A N 1.638 124.486 122.820 0.046 0.000 1.969 399 A HA -0.098 4.222 4.320 0.000 0.000 0.218 399 A C 2.054 179.673 177.584 0.059 0.000 1.169 399 A CA 0.623 52.687 52.037 0.045 0.000 0.635 399 A CB -0.553 18.463 19.000 0.027 0.000 0.810 399 A HN 0.234 nan 8.150 nan 0.000 0.445 400 L N -0.865 120.397 121.223 0.065 0.000 2.191 400 L HA -0.169 4.171 4.340 0.000 0.000 0.212 400 L C 2.038 178.960 176.870 0.086 0.000 1.103 400 L CA 2.673 57.549 54.840 0.060 0.000 0.769 400 L CB -1.081 41.008 42.059 0.050 0.000 0.908 400 L HN 0.668 nan 8.230 nan 0.000 0.438 401 H N -0.466 118.611 119.070 0.011 0.000 2.343 401 H HA 0.024 4.580 4.556 0.001 0.000 0.303 401 H C 2.271 177.607 175.328 0.013 0.000 1.068 401 H CA 1.583 57.639 56.048 0.013 0.000 1.359 401 H CB 0.329 30.101 29.762 0.016 0.000 1.402 401 H HN 0.414 nan 8.280 nan 0.000 0.515 402 A N -0.104 122.829 122.820 0.188 0.000 1.933 402 A HA -0.189 4.131 4.320 0.000 0.000 0.218 402 A C 2.453 180.079 177.584 0.069 0.000 1.175 402 A CA 1.993 54.098 52.037 0.113 0.000 0.628 402 A CB -1.121 17.921 19.000 0.069 0.000 0.814 402 A HN 0.678 nan 8.150 nan 0.000 0.444 403 T N -1.125 113.460 114.554 0.052 0.000 2.652 403 T HA -0.232 4.118 4.350 0.000 0.000 0.267 403 T C 1.975 176.686 174.700 0.019 0.000 1.039 403 T CA 1.437 63.554 62.100 0.029 0.000 1.153 403 T CB -0.451 68.430 68.868 0.021 0.000 0.863 403 T HN 0.533 nan 8.240 nan 0.000 0.428 404 R N 1.523 122.029 120.500 0.010 0.000 2.081 404 R HA 0.101 4.441 4.340 0.000 0.000 0.235 404 R C 3.059 179.360 176.300 0.002 0.000 1.131 404 R CA 1.283 57.376 56.100 -0.011 0.000 0.960 404 R CB -0.834 29.435 30.300 -0.051 0.000 0.856 404 R HN 0.539 nan 8.270 nan 0.000 0.436 405 A N 1.367 124.205 122.820 0.029 0.000 1.940 405 A HA -0.151 4.170 4.320 0.000 0.000 0.219 405 A C 2.346 179.950 177.584 0.034 0.000 1.176 405 A CA 1.808 53.874 52.037 0.049 0.000 0.631 405 A CB -0.561 18.501 19.000 0.105 0.000 0.814 405 A HN 0.418 nan 8.150 nan 0.000 0.446 406 A N -0.957 121.882 122.820 0.030 0.000 2.014 406 A HA 0.148 4.469 4.320 0.000 0.000 0.218 406 A C 2.119 179.711 177.584 0.013 0.000 1.163 406 A CA 1.568 53.618 52.037 0.021 0.000 0.652 406 A CB -0.464 18.549 19.000 0.021 0.000 0.808 406 A HN 0.353 nan 8.150 nan 0.000 0.449 407 V N 0.650 120.569 119.914 0.010 0.000 2.426 407 V HA -0.186 3.934 4.120 0.000 0.000 0.242 407 V C 2.528 178.624 176.094 0.003 0.000 1.036 407 V CA 1.834 64.137 62.300 0.004 0.000 1.044 407 V CB -0.661 31.162 31.823 0.000 0.000 0.688 407 V HN 0.889 nan 8.190 nan 0.000 0.462 408 E N 0.753 120.955 120.200 0.003 0.000 2.106 408 E HA -0.265 4.085 4.350 0.000 0.000 0.192 408 E C 1.919 178.522 176.600 0.004 0.000 0.984 408 E CA 1.897 58.298 56.400 0.001 0.000 0.806 408 E CB -0.121 29.578 29.700 -0.002 0.000 0.750 408 E HN 0.684 nan 8.360 nan 0.000 0.458 409 E N 0.125 120.330 120.200 0.008 0.000 2.539 409 E HA 0.211 4.562 4.350 0.000 0.000 0.215 409 E C 0.284 176.888 176.600 0.007 0.000 0.965 409 E CA 0.378 56.782 56.400 0.007 0.000 1.019 409 E CB 0.951 30.657 29.700 0.010 0.000 1.059 409 E HN 0.388 nan 8.360 nan 0.000 0.496 410 G N 0.352 109.157 108.800 0.008 0.000 2.582 410 G HA2 -0.175 3.786 3.960 0.000 0.000 0.222 410 G HA3 -0.175 3.786 3.960 0.000 0.000 0.222 410 G C -0.521 174.385 174.900 0.010 0.000 1.311 410 G CA -0.491 44.614 45.100 0.008 0.000 0.915 410 G HN 0.645 nan 8.290 nan 0.000 0.528 411 V N -2.733 117.187 119.914 0.009 0.000 3.130 411 V HA 0.994 5.115 4.120 0.000 0.000 0.310 411 V C 0.472 176.572 176.094 0.010 0.000 1.158 411 V CA 0.116 62.422 62.300 0.010 0.000 1.029 411 V CB 1.345 33.175 31.823 0.010 0.000 1.057 411 V HN 2.498 nan 8.190 nan 0.000 0.436 412 V N -1.168 118.752 119.914 0.010 0.000 3.141 412 V HA 1.011 5.131 4.120 0.000 0.000 0.312 412 V C 0.457 176.559 176.094 0.013 0.000 1.157 412 V CA -0.676 61.632 62.300 0.012 0.000 1.041 412 V CB 1.329 33.159 31.823 0.012 0.000 1.071 412 V HN 2.170 nan 8.190 nan 0.000 0.441 413 A N 1.045 123.875 122.820 0.017 0.000 2.524 413 A HA 0.633 4.954 4.320 0.000 0.000 0.250 413 A C 0.791 178.384 177.584 0.015 0.000 1.078 413 A CA 0.698 52.745 52.037 0.018 0.000 0.761 413 A CB -0.665 18.352 19.000 0.028 0.000 1.012 413 A HN 1.933 nan 8.150 nan 0.000 0.500 414 G N 0.610 109.415 108.800 0.008 0.000 2.531 414 G HA2 0.544 4.504 3.960 0.000 0.000 0.281 414 G HA3 0.544 4.504 3.960 0.000 0.000 0.281 414 G C 1.088 175.992 174.900 0.006 0.000 1.382 414 G CA -0.149 44.954 45.100 0.006 0.000 1.045 414 G HN 2.189 nan 8.290 nan 0.000 0.533 415 G N -2.175 106.628 108.800 0.005 0.000 2.187 415 G HA2 0.205 4.166 3.960 0.000 0.000 0.261 415 G HA3 0.205 4.166 3.960 0.000 0.000 0.261 415 G C 1.486 176.396 174.900 0.017 0.000 1.000 415 G CA 1.266 46.372 45.100 0.010 0.000 0.718 415 G HN 2.524 nan 8.290 nan 0.000 0.519 416 G N -2.615 106.195 108.800 0.017 0.000 2.176 416 G HA2 -0.155 3.805 3.960 0.000 0.000 0.253 416 G HA3 -0.155 3.805 3.960 0.000 0.000 0.253 416 G C 1.469 176.384 174.900 0.024 0.000 0.979 416 G CA 1.442 46.553 45.100 0.019 0.000 0.641 416 G HN 1.672 nan 8.290 nan 0.000 0.530 417 V N 0.776 120.707 119.914 0.027 0.000 2.358 417 V HA 0.145 4.266 4.120 0.000 0.000 0.246 417 V C 3.027 179.144 176.094 0.038 0.000 1.047 417 V CA 2.982 65.304 62.300 0.038 0.000 1.035 417 V CB -0.517 31.331 31.823 0.042 0.000 0.658 417 V HN 1.165 nan 8.190 nan 0.000 0.452 418 A N -0.551 122.287 122.820 0.030 0.000 1.933 418 A HA -0.171 4.149 4.320 0.000 0.000 0.218 418 A C 2.101 179.698 177.584 0.022 0.000 1.175 418 A CA 2.011 54.064 52.037 0.027 0.000 0.628 418 A CB -0.641 18.372 19.000 0.021 0.000 0.814 418 A HN 0.538 nan 8.150 nan 0.000 0.444 419 L N 0.008 121.242 121.223 0.019 0.000 2.017 419 L HA -0.127 4.213 4.340 0.000 0.000 0.208 419 L C 2.268 179.149 176.870 0.018 0.000 1.073 419 L CA 1.738 56.587 54.840 0.015 0.000 0.745 419 L CB -0.360 41.707 42.059 0.013 0.000 0.894 419 L HN 0.448 nan 8.230 nan 0.000 0.432 420 I N -1.003 119.582 120.570 0.025 0.000 2.264 420 I HA -0.292 3.878 4.170 0.000 0.000 0.248 420 I C 2.395 178.530 176.117 0.031 0.000 1.111 420 I CA 0.694 62.011 61.300 0.029 0.000 1.382 420 I CB -0.410 37.612 38.000 0.038 0.000 1.060 420 I HN 0.250 nan 8.210 nan 0.000 0.418 421 R N 0.620 121.140 120.500 0.033 0.000 2.075 421 R HA -0.102 4.238 4.340 0.000 0.000 0.232 421 R C 2.315 178.628 176.300 0.022 0.000 1.126 421 R CA 1.640 57.759 56.100 0.032 0.000 0.963 421 R CB -1.484 28.838 30.300 0.036 0.000 0.858 421 R HN 0.472 nan 8.270 nan 0.000 0.435 422 V N -1.438 118.487 119.914 0.017 0.000 2.667 422 V HA 0.050 4.170 4.120 0.000 0.000 0.252 422 V C 2.219 178.319 176.094 0.011 0.000 1.065 422 V CA 1.456 63.763 62.300 0.012 0.000 1.083 422 V CB -0.928 30.899 31.823 0.007 0.000 0.692 422 V HN 0.146 nan 8.190 nan 0.000 0.468 423 A N 1.962 124.790 122.820 0.013 0.000 1.902 423 A HA -0.140 4.180 4.320 0.000 0.000 0.217 423 A C 2.570 180.161 177.584 0.012 0.000 1.181 423 A CA 2.467 54.511 52.037 0.012 0.000 0.623 423 A CB -1.021 17.988 19.000 0.014 0.000 0.818 423 A HN 0.888 nan 8.150 nan 0.000 0.443 424 S N 0.027 115.736 115.700 0.015 0.000 2.383 424 S HA -0.135 4.335 4.470 0.000 0.000 0.227 424 S C 1.766 176.373 174.600 0.011 0.000 1.026 424 S CA 1.378 59.587 58.200 0.014 0.000 0.981 424 S CB -0.332 62.879 63.200 0.018 0.000 0.818 424 S HN 0.590 nan 8.310 nan 0.000 0.472 425 K N 0.841 121.248 120.400 0.011 0.000 2.209 425 K HA 0.158 4.478 4.320 0.000 0.000 0.204 425 K C 1.072 177.676 176.600 0.006 0.000 1.048 425 K CA 0.877 57.169 56.287 0.008 0.000 0.940 425 K CB -0.247 32.258 32.500 0.008 0.000 0.729 425 K HN 0.401 nan 8.250 nan 0.000 0.451 426 L N -0.378 120.849 121.223 0.006 0.000 2.910 426 L HA 0.242 4.582 4.340 0.000 0.000 0.252 426 L C 1.633 178.505 176.870 0.004 0.000 1.195 426 L CA -0.353 54.489 54.840 0.004 0.000 1.003 426 L CB 0.288 42.349 42.059 0.004 0.000 1.328 426 L HN 0.057 nan 8.230 nan 0.000 0.540 427 A N 0.336 123.159 122.820 0.005 0.000 1.892 427 A HA -0.227 4.093 4.320 0.000 0.000 0.218 427 A C 1.723 179.309 177.584 0.004 0.000 1.188 427 A CA 1.936 53.976 52.037 0.005 0.000 0.631 427 A CB -0.241 18.762 19.000 0.005 0.000 0.822 427 A HN 0.390 nan 8.150 nan 0.000 0.447 428 D N -0.843 119.559 120.400 0.003 0.000 2.328 428 D HA 0.127 4.767 4.640 0.000 0.000 0.226 428 D C 0.091 176.393 176.300 0.002 0.000 1.066 428 D CA -0.169 53.833 54.000 0.002 0.000 0.861 428 D CB -0.054 40.747 40.800 0.002 0.000 0.912 428 D HN 0.311 nan 8.370 nan 0.000 0.521 429 L N 1.950 123.174 121.223 0.002 0.000 2.499 429 L HA 0.074 4.414 4.340 0.000 0.000 0.273 429 L C -0.107 176.764 176.870 0.002 0.000 1.195 429 L CA 0.635 55.477 54.840 0.002 0.000 0.882 429 L CB 0.129 42.189 42.059 0.002 0.000 1.133 429 L HN -0.206 nan 8.230 nan 0.000 0.483 430 R N 3.353 123.854 120.500 0.002 0.000 2.740 430 R HA 0.651 4.991 4.340 0.000 0.000 0.273 430 R C -0.201 176.100 176.300 0.002 0.000 0.998 430 R CA -0.265 55.836 56.100 0.002 0.000 0.900 430 R CB 1.541 31.843 30.300 0.002 0.000 1.223 430 R HN 0.816 nan 8.270 nan 0.000 0.466 431 G N -0.083 108.719 108.800 0.003 0.000 3.008 431 G HA2 0.202 4.162 3.960 0.000 0.000 0.181 431 G HA3 0.202 4.162 3.960 0.000 0.000 0.181 431 G C 0.095 174.997 174.900 0.003 0.000 1.309 431 G CA -0.208 44.894 45.100 0.003 0.000 1.009 431 G HN 0.417 nan 8.290 nan 0.000 0.584 432 Q N -0.195 119.607 119.800 0.003 0.000 2.389 432 Q HA 0.104 4.445 4.340 0.000 0.000 0.204 432 Q C 0.345 176.347 176.000 0.004 0.000 0.944 432 Q CA 0.674 56.479 55.803 0.003 0.000 0.908 432 Q CB 0.118 28.858 28.738 0.004 0.000 1.002 432 Q HN 0.576 nan 8.270 nan 0.000 0.493 433 N N -1.769 116.933 118.700 0.004 0.000 3.106 433 N HA 0.004 4.744 4.740 0.000 0.000 0.253 433 N C -0.164 175.349 175.510 0.004 0.000 1.506 433 N CA -0.404 52.649 53.050 0.004 0.000 0.876 433 N CB 0.833 39.322 38.487 0.004 0.000 1.452 433 N HN -0.264 nan 8.380 nan 0.000 0.542 434 E N -0.256 119.947 120.200 0.004 0.000 2.208 434 E HA 0.010 4.360 4.350 0.000 0.000 0.193 434 E C 0.460 177.063 176.600 0.005 0.000 0.988 434 E CA 1.235 57.637 56.400 0.004 0.000 0.828 434 E CB -0.086 29.616 29.700 0.004 0.000 0.763 434 E HN 0.530 nan 8.360 nan 0.000 0.478 435 D N 0.182 120.585 120.400 0.006 0.000 2.097 435 D HA -0.188 4.452 4.640 0.000 0.000 0.195 435 D C 1.761 178.065 176.300 0.006 0.000 0.989 435 D CA 1.019 55.023 54.000 0.006 0.000 0.827 435 D CB -0.059 40.745 40.800 0.007 0.000 0.966 435 D HN 0.364 nan 8.370 nan 0.000 0.456 436 Q N 0.341 120.145 119.800 0.006 0.000 2.167 436 Q HA -0.103 4.237 4.340 0.000 0.000 0.202 436 Q C 1.910 177.913 176.000 0.005 0.000 0.970 436 Q CA 0.678 56.484 55.803 0.005 0.000 0.855 436 Q CB 0.035 28.776 28.738 0.005 0.000 0.911 436 Q HN 0.241 nan 8.270 nan 0.000 0.438 437 N N 0.098 118.801 118.700 0.005 0.000 2.120 437 N HA -0.121 4.619 4.740 0.000 0.000 0.188 437 N C 1.878 177.391 175.510 0.005 0.000 1.024 437 N CA 1.047 54.100 53.050 0.004 0.000 0.852 437 N CB -0.375 38.115 38.487 0.004 0.000 1.003 437 N HN 0.048 nan 8.380 nan 0.000 0.424 438 V N 1.073 120.990 119.914 0.005 0.000 2.407 438 V HA -0.148 3.972 4.120 0.000 0.000 0.248 438 V C 2.440 178.538 176.094 0.006 0.000 1.055 438 V CA 1.976 64.279 62.300 0.006 0.000 1.049 438 V CB -1.256 30.571 31.823 0.006 0.000 0.662 438 V HN 0.343 nan 8.190 nan 0.000 0.455 439 G N 0.113 108.916 108.800 0.006 0.000 2.480 439 G HA2 -0.252 3.708 3.960 0.000 0.000 0.216 439 G HA3 -0.252 3.708 3.960 0.000 0.000 0.216 439 G C 1.579 176.482 174.900 0.006 0.000 1.200 439 G CA 1.189 46.293 45.100 0.007 0.000 0.782 439 G HN 0.468 nan 8.290 nan 0.000 0.554 440 I N 0.347 120.920 120.570 0.004 0.000 2.145 440 I HA -0.213 3.957 4.170 0.000 0.000 0.244 440 I C 2.554 178.673 176.117 0.004 0.000 1.075 440 I CA 1.402 62.704 61.300 0.003 0.000 1.332 440 I CB -0.069 37.932 38.000 0.003 0.000 1.033 440 I HN 0.022 nan 8.210 nan 0.000 0.410 441 K N 0.198 120.601 120.400 0.005 0.000 2.504 441 K HA -0.003 4.317 4.320 0.000 0.000 0.195 441 K C 1.688 178.292 176.600 0.006 0.000 1.036 441 K CA 0.426 56.716 56.287 0.005 0.000 0.984 441 K CB -0.354 32.150 32.500 0.005 0.000 0.788 441 K HN 0.174 nan 8.250 nan 0.000 0.488 442 V N 0.466 120.384 119.914 0.007 0.000 2.270 442 V HA -0.258 3.862 4.120 0.000 0.000 0.245 442 V C 2.201 178.299 176.094 0.007 0.000 1.043 442 V CA 2.047 64.352 62.300 0.008 0.000 1.014 442 V CB -0.803 31.025 31.823 0.009 0.000 0.645 442 V HN 0.332 nan 8.190 nan 0.000 0.447 443 A N -0.017 122.806 122.820 0.006 0.000 1.883 443 A HA -0.167 4.154 4.320 0.000 0.000 0.217 443 A C 2.218 179.805 177.584 0.005 0.000 1.186 443 A CA 1.959 53.998 52.037 0.004 0.000 0.624 443 A CB -0.595 18.406 19.000 0.001 0.000 0.822 443 A HN 0.510 nan 8.150 nan 0.000 0.444 444 L N -1.413 119.813 121.223 0.005 0.000 2.056 444 L HA -0.165 4.175 4.340 0.000 0.000 0.207 444 L C 2.821 179.695 176.870 0.007 0.000 1.078 444 L CA 1.479 56.323 54.840 0.006 0.000 0.749 444 L CB -0.599 41.464 42.059 0.006 0.000 0.901 444 L HN 0.345 nan 8.230 nan 0.000 0.433 445 R N 0.228 120.733 120.500 0.007 0.000 2.127 445 R HA -0.136 4.204 4.340 0.000 0.000 0.238 445 R C 2.324 178.629 176.300 0.009 0.000 1.134 445 R CA 1.274 57.378 56.100 0.008 0.000 0.975 445 R CB -0.406 29.899 30.300 0.008 0.000 0.865 445 R HN 0.358 nan 8.270 nan 0.000 0.447 446 A N 0.502 123.328 122.820 0.009 0.000 2.121 446 A HA -0.083 4.237 4.320 0.000 0.000 0.218 446 A C 1.912 179.502 177.584 0.010 0.000 1.154 446 A CA 0.885 52.928 52.037 0.010 0.000 0.679 446 A CB -0.316 18.690 19.000 0.010 0.000 0.795 446 A HN 0.213 nan 8.150 nan 0.000 0.458 447 M N -0.753 118.853 119.600 0.010 0.000 2.557 447 M HA -0.076 4.404 4.480 0.000 0.000 0.259 447 M C 1.419 177.727 176.300 0.013 0.000 1.086 447 M CA 0.873 56.180 55.300 0.011 0.000 1.096 447 M CB -0.227 32.380 32.600 0.011 0.000 1.424 447 M HN 0.455 nan 8.290 nan 0.000 0.488 448 E N 0.498 120.706 120.200 0.013 0.000 2.358 448 E HA -0.042 4.308 4.350 0.000 0.000 0.195 448 E C 2.080 178.686 176.600 0.011 0.000 1.010 448 E CA 0.604 57.012 56.400 0.013 0.000 0.856 448 E CB 0.060 29.767 29.700 0.010 0.000 0.795 448 E HN 0.497 nan 8.360 nan 0.000 0.504 449 A N 2.173 125.000 122.820 0.011 0.000 1.902 449 A HA -0.108 4.212 4.320 0.000 0.000 0.217 449 A C -0.345 177.246 177.584 0.011 0.000 1.181 449 A CA 1.074 53.117 52.037 0.010 0.000 0.623 449 A CB -1.309 17.697 19.000 0.011 0.000 0.818 449 A HN 0.133 nan 8.150 nan 0.000 0.443 450 P HA -0.160 nan 4.420 nan 0.000 0.214 450 P C 1.855 179.164 177.300 0.015 0.000 1.163 450 P CA 0.793 63.901 63.100 0.013 0.000 0.883 450 P CB -0.156 31.552 31.700 0.014 0.000 0.788 451 L N 0.151 121.384 121.223 0.016 0.000 1.989 451 L HA -0.186 4.154 4.340 0.000 0.000 0.211 451 L C 2.181 179.058 176.870 0.012 0.000 1.071 451 L CA 2.174 57.025 54.840 0.019 0.000 0.749 451 L CB -1.061 41.011 42.059 0.021 0.000 0.890 451 L HN -0.050 nan 8.230 nan 0.000 0.431 452 R N -0.762 119.742 120.500 0.006 0.000 2.091 452 R HA -0.183 4.157 4.340 0.000 0.000 0.238 452 R C 2.178 178.481 176.300 0.004 0.000 1.136 452 R CA 1.494 57.594 56.100 0.001 0.000 0.959 452 R CB -0.154 30.146 30.300 0.001 0.000 0.856 452 R HN 0.544 nan 8.270 nan 0.000 0.437 453 Q N 0.252 120.057 119.800 0.008 0.000 2.245 453 Q HA -0.024 4.317 4.340 0.000 0.000 0.201 453 Q C 2.165 178.172 176.000 0.012 0.000 0.955 453 Q CA 0.967 56.775 55.803 0.009 0.000 0.870 453 Q CB 0.021 28.764 28.738 0.009 0.000 0.945 453 Q HN 0.417 nan 8.270 nan 0.000 0.461 454 I N -0.118 120.461 120.570 0.015 0.000 2.142 454 I HA -0.255 3.915 4.170 0.000 0.000 0.240 454 I C 2.220 178.354 176.117 0.028 0.000 1.078 454 I CA 0.948 62.261 61.300 0.020 0.000 1.343 454 I CB -0.320 37.695 38.000 0.025 0.000 1.046 454 I HN -0.047 nan 8.210 nan 0.000 0.405 455 V N 0.516 120.449 119.914 0.031 0.000 2.490 455 V HA -0.248 3.872 4.120 0.000 0.000 0.250 455 V C 2.306 178.412 176.094 0.020 0.000 1.061 455 V CA 1.413 63.733 62.300 0.034 0.000 1.064 455 V CB -0.456 31.364 31.823 -0.006 0.000 0.670 455 V HN 0.347 nan 8.190 nan 0.000 0.461 456 L N 0.446 121.676 121.223 0.011 0.000 2.056 456 L HA -0.097 4.243 4.340 0.000 0.000 0.207 456 L C 2.212 179.088 176.870 0.011 0.000 1.078 456 L CA 1.849 56.694 54.840 0.008 0.000 0.749 456 L CB -0.958 41.104 42.059 0.005 0.000 0.901 456 L HN 0.300 nan 8.230 nan 0.000 0.433 457 N N -0.841 117.866 118.700 0.012 0.000 2.104 457 N HA -0.227 4.513 4.740 0.000 0.000 0.190 457 N C 1.695 177.212 175.510 0.012 0.000 1.024 457 N CA 1.932 54.987 53.050 0.010 0.000 0.853 457 N CB -0.340 38.152 38.487 0.008 0.000 1.008 457 N HN 0.427 nan 8.380 nan 0.000 0.424 458 C N 0.199 119.511 119.300 0.019 0.000 2.466 458 C HA 0.074 4.534 4.460 0.000 0.000 0.283 458 C C 1.636 176.642 174.990 0.026 0.000 1.472 458 C CA 0.482 59.515 59.018 0.025 0.000 1.765 458 C CB -1.317 26.451 27.740 0.046 0.000 1.724 458 C HN 0.674 nan 8.230 nan 0.000 0.560 459 G N 1.023 109.836 108.800 0.020 0.000 2.147 459 G HA2 -0.201 3.759 3.960 0.000 0.000 0.244 459 G HA3 -0.201 3.759 3.960 0.000 0.000 0.244 459 G C -0.301 174.611 174.900 0.020 0.000 1.005 459 G CA 0.316 45.426 45.100 0.017 0.000 0.713 459 G HN 0.632 nan 8.290 nan 0.000 0.515 460 E N -0.635 119.578 120.200 0.023 0.000 2.393 460 E HA 0.470 4.820 4.350 0.000 0.000 0.265 460 E C -0.426 176.169 176.600 -0.009 0.000 0.941 460 E CA -0.937 55.473 56.400 0.017 0.000 0.801 460 E CB 1.319 31.048 29.700 0.049 0.000 1.313 460 E HN 0.307 nan 8.360 nan 0.000 0.435 461 E N 1.843 122.027 120.200 -0.028 0.000 1.996 461 E HA 0.080 4.430 4.350 0.000 0.000 0.280 461 E C -1.906 174.664 176.600 -0.049 0.000 1.092 461 E CA -1.550 54.832 56.400 -0.030 0.000 0.862 461 E CB 0.780 30.467 29.700 -0.022 0.000 1.066 461 E HN 0.214 nan 8.360 nan 0.000 0.396 462 P HA -0.184 nan 4.420 nan 0.000 0.215 462 P C 1.084 178.361 177.300 -0.038 0.000 1.157 462 P CA 1.163 64.241 63.100 -0.037 0.000 0.868 462 P CB 0.286 31.976 31.700 -0.017 0.000 0.788 463 S N -0.857 114.828 115.700 -0.025 0.000 2.419 463 S HA -0.096 4.374 4.470 0.000 0.000 0.233 463 S C 1.960 176.546 174.600 -0.023 0.000 1.016 463 S CA 1.164 59.353 58.200 -0.018 0.000 0.974 463 S CB -1.261 61.932 63.200 -0.011 0.000 0.786 463 S HN -0.011 nan 8.310 nan 0.000 0.492 464 V N 1.319 121.211 119.914 -0.035 0.000 2.302 464 V HA -0.071 4.050 4.120 0.000 0.000 0.243 464 V C 2.375 178.445 176.094 -0.040 0.000 1.036 464 V CA 1.144 63.424 62.300 -0.033 0.000 1.020 464 V CB -0.795 31.008 31.823 -0.033 0.000 0.657 464 V HN 0.360 nan 8.190 nan 0.000 0.453 465 V N 0.732 120.582 119.914 -0.106 0.000 2.343 465 V HA -0.255 3.865 4.120 0.000 0.000 0.247 465 V C 2.772 178.847 176.094 -0.032 0.000 1.051 465 V CA 1.975 64.184 62.300 -0.152 0.000 1.036 465 V CB -1.286 30.292 31.823 -0.410 0.000 0.654 465 V HN 0.536 nan 8.190 nan 0.000 0.451 466 A N 0.510 123.314 122.820 -0.027 0.000 1.883 466 A HA -0.252 4.068 4.320 0.000 0.000 0.217 466 A C 2.105 179.702 177.584 0.021 0.000 1.186 466 A CA 2.203 54.242 52.037 0.004 0.000 0.624 466 A CB -0.632 18.367 19.000 -0.002 0.000 0.822 466 A HN 0.608 nan 8.150 nan 0.000 0.444 467 N N -0.580 118.127 118.700 0.011 0.000 2.354 467 N HA -0.103 4.637 4.740 0.000 0.000 0.179 467 N C 1.933 177.455 175.510 0.020 0.000 1.021 467 N CA 1.855 54.913 53.050 0.013 0.000 0.887 467 N CB -0.408 38.080 38.487 0.001 0.000 0.974 467 N HN 0.741 nan 8.380 nan 0.000 0.437 468 T N -1.202 113.367 114.554 0.024 0.000 2.812 468 T HA -0.009 4.341 4.350 0.000 0.000 0.264 468 T C 2.189 176.955 174.700 0.111 0.000 1.042 468 T CA 0.738 62.844 62.100 0.010 0.000 1.140 468 T CB -0.751 68.069 68.868 -0.081 0.000 0.870 468 T HN -0.147 nan 8.240 nan 0.000 0.445 469 V N 2.049 122.063 119.914 0.166 0.000 2.392 469 V HA -0.153 3.967 4.120 0.000 0.000 0.249 469 V C 2.683 178.875 176.094 0.164 0.000 1.059 469 V CA 1.792 64.214 62.300 0.203 0.000 1.051 469 V CB -0.632 31.276 31.823 0.141 0.000 0.658 469 V HN 0.535 nan 8.190 nan 0.000 0.455 470 K N 0.002 120.460 120.400 0.097 0.000 2.362 470 K HA -0.038 4.282 4.320 0.000 0.000 0.200 470 K C 2.085 178.716 176.600 0.051 0.000 1.046 470 K CA 0.988 57.315 56.287 0.066 0.000 0.952 470 K CB -0.309 32.214 32.500 0.039 0.000 0.753 470 K HN 0.580 nan 8.250 nan 0.000 0.466 471 G N 1.006 109.837 108.800 0.051 0.000 2.426 471 G HA2 -0.036 3.924 3.960 0.000 0.000 0.214 471 G HA3 -0.036 3.924 3.960 0.000 0.000 0.214 471 G C 0.743 175.632 174.900 -0.019 0.000 1.156 471 G CA 0.379 45.483 45.100 0.007 0.000 0.802 471 G HN 0.340 nan 8.290 nan 0.000 0.534 472 G N -0.488 108.329 108.800 0.027 0.000 2.557 472 G HA2 0.505 4.465 3.960 0.000 0.000 0.292 472 G HA3 0.505 4.465 3.960 0.000 0.000 0.292 472 G C -1.280 173.654 174.900 0.056 0.000 1.237 472 G CA -0.461 44.590 45.100 -0.081 0.000 0.978 472 G HN 0.307 nan 8.290 nan 0.000 0.498 473 D N -2.178 118.245 120.400 0.038 0.000 2.552 473 D HA 0.587 5.227 4.640 0.000 0.000 0.239 473 D C 0.679 177.043 176.300 0.107 0.000 1.139 473 D CA 0.276 54.314 54.000 0.064 0.000 0.914 473 D CB 1.642 42.450 40.800 0.014 0.000 1.461 473 D HN 0.911 nan 8.370 nan 0.000 0.462 474 G N 0.924 109.775 108.800 0.086 0.000 2.550 474 G HA2 -0.348 3.612 3.960 0.000 0.000 0.277 474 G HA3 -0.348 3.612 3.960 0.000 0.000 0.277 474 G C 0.400 175.364 174.900 0.107 0.000 1.190 474 G CA 0.118 45.267 45.100 0.081 0.000 0.971 474 G HN 0.547 nan 8.290 nan 0.000 0.559 475 N N 0.192 118.955 118.700 0.106 0.000 2.461 475 N HA 0.068 4.808 4.740 0.000 0.000 0.188 475 N C 0.669 176.260 175.510 0.136 0.000 1.134 475 N CA 0.636 53.744 53.050 0.096 0.000 0.878 475 N CB -0.032 38.496 38.487 0.068 0.000 0.972 475 N HN 0.554 nan 8.380 nan 0.000 0.456 476 Y N 1.580 121.911 120.300 0.052 0.000 2.632 476 Y HA 0.334 4.884 4.550 0.001 0.000 0.329 476 Y C 0.846 176.811 175.900 0.109 0.000 1.174 476 Y CA 0.239 58.386 58.100 0.078 0.000 1.469 476 Y CB 0.127 38.630 38.460 0.071 0.000 1.242 476 Y HN 0.055 nan 8.280 nan 0.000 0.540 477 G N 4.116 112.679 108.800 -0.394 0.000 2.706 477 G HA2 0.226 4.186 3.960 0.000 0.000 0.307 477 G HA3 0.226 4.186 3.960 0.000 0.000 0.307 477 G C -2.444 172.313 174.900 -0.238 0.000 1.307 477 G CA -0.972 43.980 45.100 -0.247 0.000 0.790 477 G HN 0.533 nan 8.290 nan 0.000 0.503 478 Y N 1.627 121.761 120.300 -0.276 0.000 2.342 478 Y HA 0.524 5.074 4.550 0.000 0.000 0.338 478 Y C 0.181 175.911 175.900 -0.282 0.000 0.965 478 Y CA -1.327 56.517 58.100 -0.426 0.000 1.159 478 Y CB 1.298 39.476 38.460 -0.470 0.000 1.157 478 Y HN 0.413 nan 8.280 nan 0.000 0.486 479 N N 4.860 123.192 118.700 -0.614 0.000 2.406 479 N HA 0.073 4.813 4.740 0.000 0.000 0.269 479 N C 0.397 175.452 175.510 -0.757 0.000 1.210 479 N CA 0.570 53.312 53.050 -0.512 0.000 0.966 479 N CB 0.978 39.248 38.487 -0.361 0.000 1.293 479 N HN 0.851 nan 8.380 nan 0.000 0.491 480 A N 3.032 125.583 122.820 -0.449 0.000 2.239 480 A HA 0.150 4.470 4.320 0.000 0.000 0.209 480 A C 1.753 179.227 177.584 -0.184 0.000 1.171 480 A CA 1.021 52.900 52.037 -0.264 0.000 0.768 480 A CB -0.167 18.835 19.000 0.003 0.000 0.790 480 A HN 0.690 nan 8.150 nan 0.000 0.478 481 A N -0.458 122.242 122.820 -0.199 0.000 1.901 481 A HA 0.077 4.397 4.320 0.000 0.000 0.210 481 A C 2.290 179.789 177.584 -0.143 0.000 1.208 481 A CA 1.803 53.760 52.037 -0.132 0.000 0.644 481 A CB -0.756 18.181 19.000 -0.105 0.000 0.863 481 A HN 0.630 nan 8.150 nan 0.000 0.454 482 T N -3.047 111.392 114.554 -0.192 0.000 3.051 482 T HA 0.219 4.569 4.350 0.000 0.000 0.255 482 T C 0.163 174.740 174.700 -0.206 0.000 1.085 482 T CA 0.833 62.833 62.100 -0.166 0.000 1.109 482 T CB -0.238 68.542 68.868 -0.147 0.000 0.921 482 T HN 0.565 nan 8.240 nan 0.000 0.488 483 E N 1.428 121.406 120.200 -0.369 0.000 2.311 483 E HA -0.104 4.246 4.350 0.000 0.000 0.271 483 E C -0.370 175.967 176.600 -0.438 0.000 1.083 483 E CA 0.469 56.623 56.400 -0.411 0.000 0.780 483 E CB -1.829 27.814 29.700 -0.096 0.000 1.296 483 E HN 0.953 nan 8.360 nan 0.000 0.404 484 E N -0.598 119.129 120.200 -0.788 0.000 2.437 484 E HA 0.489 4.839 4.350 0.000 0.000 0.280 484 E C -1.342 174.970 176.600 -0.479 0.000 1.044 484 E CA -0.979 55.193 56.400 -0.380 0.000 0.826 484 E CB 1.013 30.623 29.700 -0.151 0.000 1.358 484 E HN 0.061 nan 8.360 nan 0.000 0.459 485 Y N -0.127 120.174 120.300 0.003 0.000 2.341 485 Y HA 0.716 5.266 4.550 0.000 0.000 0.337 485 Y C 0.739 176.605 175.900 -0.057 0.000 1.014 485 Y CA 0.442 58.506 58.100 -0.061 0.000 1.111 485 Y CB 2.225 40.713 38.460 0.046 0.000 1.194 485 Y HN 0.845 nan 8.280 nan 0.000 0.462 486 G N 1.501 110.278 108.800 -0.039 0.000 2.494 486 G HA2 0.088 4.048 3.960 0.000 0.000 0.308 486 G HA3 0.088 4.048 3.960 0.000 0.000 0.308 486 G C -1.773 173.147 174.900 0.033 0.000 1.263 486 G CA -1.177 43.965 45.100 0.071 0.000 0.840 486 G HN 0.400 nan 8.290 nan 0.000 0.479 487 N N 0.854 119.601 118.700 0.078 0.000 2.442 487 N HA 0.175 4.915 4.740 0.000 0.000 0.265 487 N C 1.738 177.252 175.510 0.007 0.000 1.138 487 N CA -0.360 52.728 53.050 0.064 0.000 0.956 487 N CB 0.744 39.273 38.487 0.070 0.000 1.067 487 N HN 0.309 nan 8.380 nan 0.000 0.474 488 M N 3.416 123.014 119.600 -0.003 0.000 2.213 488 M HA -0.127 4.354 4.480 0.000 0.000 0.263 488 M C 1.287 177.580 176.300 -0.010 0.000 1.062 488 M CA 0.881 56.168 55.300 -0.022 0.000 1.105 488 M CB -0.591 32.000 32.600 -0.015 0.000 1.385 488 M HN 0.564 nan 8.290 nan 0.000 0.417 489 I N 0.440 121.013 120.570 0.006 0.000 2.179 489 I HA -0.239 3.932 4.170 0.000 0.000 0.242 489 I C 1.721 177.839 176.117 0.001 0.000 1.088 489 I CA 1.576 62.879 61.300 0.006 0.000 1.357 489 I CB -1.770 36.239 38.000 0.015 0.000 1.051 489 I HN 0.213 nan 8.210 nan 0.000 0.409 490 D N 0.642 121.044 120.400 0.004 0.000 2.149 490 D HA -0.152 4.489 4.640 0.000 0.000 0.198 490 D C 2.120 178.413 176.300 -0.012 0.000 0.990 490 D CA 1.114 55.114 54.000 0.000 0.000 0.839 490 D CB -0.122 40.683 40.800 0.007 0.000 0.948 490 D HN 0.284 nan 8.370 nan 0.000 0.460 491 M N -0.938 118.648 119.600 -0.022 0.000 2.561 491 M HA 0.175 4.656 4.480 0.000 0.000 0.238 491 M C 1.172 177.450 176.300 -0.036 0.000 1.131 491 M CA 0.440 55.717 55.300 -0.039 0.000 1.046 491 M CB 0.616 33.178 32.600 -0.064 0.000 1.532 491 M HN 0.178 nan 8.290 nan 0.000 0.497 492 G N 1.659 110.445 108.800 -0.024 0.000 2.179 492 G HA2 -0.249 3.712 3.960 0.000 0.000 0.260 492 G HA3 -0.249 3.712 3.960 0.000 0.000 0.260 492 G C 0.148 175.037 174.900 -0.019 0.000 0.977 492 G CA -0.287 44.802 45.100 -0.019 0.000 0.641 492 G HN 0.515 nan 8.290 nan 0.000 0.533 493 I N 1.507 122.062 120.570 -0.024 0.000 2.278 493 I HA 0.409 4.579 4.170 0.000 0.000 0.296 493 I C 0.341 176.451 176.117 -0.011 0.000 1.121 493 I CA -0.019 61.267 61.300 -0.023 0.000 1.267 493 I CB 0.280 38.257 38.000 -0.039 0.000 1.447 493 I HN -0.013 nan 8.210 nan 0.000 0.509 494 L N 5.507 126.727 121.223 -0.005 0.000 2.381 494 L HA 0.460 4.800 4.340 0.000 0.000 0.274 494 L C -0.816 176.057 176.870 0.005 0.000 0.988 494 L CA -0.832 54.009 54.840 0.002 0.000 0.824 494 L CB 2.114 44.175 42.059 0.004 0.000 1.263 494 L HN 0.372 nan 8.230 nan 0.000 0.410 495 D N 4.328 124.733 120.400 0.008 0.000 2.280 495 D HA 0.281 4.922 4.640 0.000 0.000 0.243 495 D C -2.384 173.924 176.300 0.012 0.000 1.129 495 D CA -1.414 52.592 54.000 0.010 0.000 0.848 495 D CB 1.480 42.286 40.800 0.010 0.000 1.107 495 D HN 0.117 nan 8.370 nan 0.000 0.471 496 P HA 0.039 nan 4.420 nan 0.000 0.267 496 P C 0.879 178.189 177.300 0.016 0.000 1.205 496 P CA -0.053 63.058 63.100 0.018 0.000 0.765 496 P CB 0.756 32.473 31.700 0.027 0.000 0.828 497 T N 2.712 117.274 114.554 0.013 0.000 2.684 497 T HA -0.217 4.134 4.350 0.000 0.000 0.267 497 T C 1.641 176.346 174.700 0.007 0.000 1.036 497 T CA 1.546 63.651 62.100 0.007 0.000 1.148 497 T CB -0.344 68.526 68.868 0.005 0.000 0.863 497 T HN 0.488 nan 8.240 nan 0.000 0.436 498 K N 0.986 121.396 120.400 0.017 0.000 2.044 498 K HA -0.146 4.175 4.320 0.000 0.000 0.210 498 K C 2.352 178.970 176.600 0.029 0.000 1.049 498 K CA 1.830 58.132 56.287 0.025 0.000 0.927 498 K CB -0.361 32.164 32.500 0.042 0.000 0.713 498 K HN 0.372 nan 8.250 nan 0.000 0.443 499 V N -1.672 118.263 119.914 0.035 0.000 2.488 499 V HA -0.107 4.013 4.120 0.000 0.000 0.246 499 V C 1.806 177.913 176.094 0.021 0.000 1.046 499 V CA 1.952 64.276 62.300 0.039 0.000 1.053 499 V CB -0.721 31.126 31.823 0.040 0.000 0.679 499 V HN 0.283 nan 8.190 nan 0.000 0.458 500 T N 0.492 115.051 114.554 0.009 0.000 2.701 500 T HA -0.108 4.243 4.350 0.000 0.000 0.263 500 T C 2.099 176.784 174.700 -0.024 0.000 1.040 500 T CA 1.823 63.922 62.100 -0.002 0.000 1.147 500 T CB -0.436 68.433 68.868 0.000 0.000 0.865 500 T HN 0.410 nan 8.240 nan 0.000 0.426 501 R N 1.355 121.834 120.500 -0.034 0.000 2.083 501 R HA -0.076 4.264 4.340 0.000 0.000 0.237 501 R C 2.487 178.707 176.300 -0.134 0.000 1.137 501 R CA 1.864 57.924 56.100 -0.066 0.000 0.951 501 R CB -0.898 29.373 30.300 -0.049 0.000 0.851 501 R HN 0.331 nan 8.270 nan 0.000 0.434 502 S N 0.619 116.245 115.700 -0.124 0.000 2.356 502 S HA -0.093 4.377 4.470 0.000 0.000 0.223 502 S C 2.085 176.560 174.600 -0.209 0.000 1.032 502 S CA 1.247 59.301 58.200 -0.243 0.000 1.005 502 S CB -0.366 62.846 63.200 0.020 0.000 0.867 502 S HN 0.561 nan 8.310 nan 0.000 0.449 503 A N 2.031 124.838 122.820 -0.022 0.000 1.883 503 A HA -0.064 4.256 4.320 0.000 0.000 0.217 503 A C 2.110 179.690 177.584 -0.006 0.000 1.186 503 A CA 1.268 53.327 52.037 0.037 0.000 0.624 503 A CB -0.820 18.201 19.000 0.035 0.000 0.822 503 A HN 0.432 nan 8.150 nan 0.000 0.444 504 L N -0.283 120.910 121.223 -0.049 0.000 2.017 504 L HA -0.218 4.123 4.340 0.000 0.000 0.208 504 L C 2.461 179.282 176.870 -0.082 0.000 1.073 504 L CA 2.465 57.276 54.840 -0.049 0.000 0.745 504 L CB -1.276 40.755 42.059 -0.047 0.000 0.894 504 L HN 0.550 nan 8.230 nan 0.000 0.432 505 Q N -1.163 118.526 119.800 -0.185 0.000 2.020 505 Q HA -0.243 4.098 4.340 0.000 0.000 0.202 505 Q C 2.087 177.990 176.000 -0.161 0.000 0.982 505 Q CA 2.151 57.809 55.803 -0.243 0.000 0.838 505 Q CB -0.291 28.177 28.738 -0.451 0.000 0.899 505 Q HN 0.494 nan 8.270 nan 0.000 0.423 506 Y N -0.037 120.266 120.300 0.005 0.000 2.242 506 Y HA -0.108 4.443 4.550 0.001 0.000 0.291 506 Y C 2.323 178.225 175.900 0.003 0.000 1.137 506 Y CA 0.684 58.786 58.100 0.004 0.000 1.181 506 Y CB -0.965 37.496 38.460 0.003 0.000 0.989 506 Y HN 0.137 nan 8.280 nan 0.000 0.527 507 A N 0.339 123.236 122.820 0.129 0.000 1.883 507 A HA -0.155 4.165 4.320 0.000 0.000 0.217 507 A C 2.520 180.134 177.584 0.049 0.000 1.186 507 A CA 2.213 54.294 52.037 0.074 0.000 0.624 507 A CB -1.268 17.760 19.000 0.048 0.000 0.822 507 A HN 0.389 nan 8.150 nan 0.000 0.444 508 A N -0.989 121.849 122.820 0.030 0.000 1.902 508 A HA -0.085 4.235 4.320 0.000 0.000 0.217 508 A C 2.494 180.096 177.584 0.030 0.000 1.181 508 A CA 2.205 54.253 52.037 0.019 0.000 0.623 508 A CB -0.970 18.030 19.000 -0.001 0.000 0.818 508 A HN 0.590 nan 8.150 nan 0.000 0.443 509 S N -0.634 115.094 115.700 0.047 0.000 2.348 509 S HA -0.134 4.336 4.470 0.000 0.000 0.221 509 S C 1.942 176.575 174.600 0.055 0.000 1.033 509 S CA 1.719 59.954 58.200 0.059 0.000 1.010 509 S CB -0.543 62.718 63.200 0.100 0.000 0.891 509 S HN 0.289 nan 8.310 nan 0.000 0.442 510 V N 2.244 122.197 119.914 0.065 0.000 2.287 510 V HA -0.158 3.962 4.120 0.000 0.000 0.248 510 V C 2.892 179.005 176.094 0.032 0.000 1.053 510 V CA 1.904 64.231 62.300 0.044 0.000 1.027 510 V CB -1.395 30.455 31.823 0.044 0.000 0.646 510 V HN 0.631 nan 8.190 nan 0.000 0.447 511 A N 0.409 123.249 122.820 0.032 0.000 1.877 511 A HA -0.109 4.211 4.320 0.000 0.000 0.216 511 A C 2.415 180.011 177.584 0.021 0.000 1.186 511 A CA 1.989 54.041 52.037 0.024 0.000 0.620 511 A CB -1.280 17.734 19.000 0.023 0.000 0.822 511 A HN 0.545 nan 8.150 nan 0.000 0.443 512 G N -0.625 108.188 108.800 0.021 0.000 2.443 512 G HA2 -0.065 3.895 3.960 0.000 0.000 0.219 512 G HA3 -0.065 3.895 3.960 0.000 0.000 0.219 512 G C 1.446 176.356 174.900 0.017 0.000 1.131 512 G CA 0.949 46.060 45.100 0.018 0.000 0.775 512 G HN 0.438 nan 8.290 nan 0.000 0.547 513 L N -0.499 120.735 121.223 0.018 0.000 2.375 513 L HA 0.267 4.607 4.340 0.000 0.000 0.215 513 L C 2.670 179.547 176.870 0.012 0.000 1.108 513 L CA 0.260 55.109 54.840 0.015 0.000 0.830 513 L CB -0.127 41.941 42.059 0.015 0.000 0.959 513 L HN 0.255 nan 8.230 nan 0.000 0.457 514 M N 0.635 120.243 119.600 0.014 0.000 2.299 514 M HA -0.074 4.406 4.480 0.000 0.000 0.264 514 M C 2.321 178.630 176.300 0.016 0.000 1.095 514 M CA 1.408 56.716 55.300 0.013 0.000 1.165 514 M CB 0.132 32.741 32.600 0.015 0.000 1.349 514 M HN 0.251 nan 8.290 nan 0.000 0.446 515 I N -1.171 119.409 120.570 0.017 0.000 2.567 515 I HA -0.161 4.009 4.170 0.000 0.000 0.257 515 I C 1.729 177.857 176.117 0.018 0.000 1.184 515 I CA 1.705 63.016 61.300 0.018 0.000 1.451 515 I CB -1.356 36.654 38.000 0.017 0.000 1.089 515 I HN 0.304 nan 8.210 nan 0.000 0.441 516 T N -1.495 113.069 114.554 0.017 0.000 3.163 516 T HA 0.011 4.362 4.350 0.000 0.000 0.260 516 T C 0.933 175.643 174.700 0.017 0.000 1.156 516 T CA 0.307 62.417 62.100 0.017 0.000 1.072 516 T CB -1.226 67.651 68.868 0.014 0.000 0.937 516 T HN 0.336 nan 8.240 nan 0.000 0.528 517 T N 3.080 117.644 114.554 0.016 0.000 2.793 517 T HA 0.134 4.484 4.350 0.000 0.000 0.289 517 T C 0.777 175.489 174.700 0.021 0.000 0.956 517 T CA 0.159 62.267 62.100 0.013 0.000 1.177 517 T CB 0.749 69.627 68.868 0.016 0.000 0.897 517 T HN 0.338 nan 8.240 nan 0.000 0.533 518 E N 1.119 121.329 120.200 0.016 0.000 2.562 518 E HA 0.272 4.622 4.350 0.000 0.000 0.214 518 E C -0.122 176.477 176.600 -0.002 0.000 0.979 518 E CA -0.121 56.301 56.400 0.037 0.000 1.002 518 E CB 0.478 30.210 29.700 0.054 0.000 1.048 518 E HN 0.647 nan 8.360 nan 0.000 0.488 519 C N -0.272 118.982 119.300 -0.078 0.000 3.285 519 C HA 0.690 5.150 4.460 0.000 0.000 0.325 519 C C -1.795 173.119 174.990 -0.126 0.000 1.304 519 C CA -0.699 58.181 59.018 -0.230 0.000 1.319 519 C CB 0.817 28.279 27.740 -0.465 0.000 1.640 519 C HN 0.261 nan 8.230 nan 0.000 0.477 520 M N 3.737 123.280 119.600 -0.095 0.000 2.378 520 M HA 0.633 5.113 4.480 0.000 0.000 0.289 520 M C -1.399 174.941 176.300 0.067 0.000 1.136 520 M CA -0.524 54.795 55.300 0.032 0.000 0.917 520 M CB 2.179 34.918 32.600 0.232 0.000 1.669 520 M HN 0.362 nan 8.290 nan 0.000 0.461 521 V N 0.929 120.810 119.914 -0.054 0.000 2.686 521 V HA 0.898 5.019 4.120 0.000 0.000 0.306 521 V C -0.546 175.448 176.094 -0.167 0.000 1.065 521 V CA -0.468 61.802 62.300 -0.051 0.000 0.894 521 V CB 2.133 33.926 31.823 -0.051 0.000 1.004 521 V HN 0.954 nan 8.190 nan 0.000 0.424 522 T N 2.210 116.666 114.554 -0.163 0.000 2.907 522 T HA 0.317 4.667 4.350 0.000 0.000 0.344 522 T C -1.810 172.831 174.700 -0.098 0.000 1.675 522 T CA -0.588 61.382 62.100 -0.217 0.000 1.076 522 T CB 1.633 70.231 68.868 -0.450 0.000 1.483 522 T HN 0.724 nan 8.240 nan 0.000 0.487 523 D N 2.107 122.464 120.400 -0.071 0.000 2.341 523 D HA 0.436 5.077 4.640 0.000 0.000 0.245 523 D C 0.325 176.630 176.300 0.009 0.000 1.106 523 D CA -0.247 53.742 54.000 -0.018 0.000 0.905 523 D CB 0.571 41.357 40.800 -0.023 0.000 1.202 523 D HN 0.434 nan 8.370 nan 0.000 0.426 524 L N 3.290 124.532 121.223 0.031 0.000 2.499 524 L HA 0.175 4.515 4.340 0.000 0.000 0.273 524 L C -1.470 175.421 176.870 0.035 0.000 1.195 524 L CA -1.269 53.600 54.840 0.048 0.000 0.882 524 L CB -0.231 41.854 42.059 0.043 0.000 1.133 524 L HN 0.333 nan 8.230 nan 0.000 0.483 525 P HA 0.581 nan 4.420 nan 0.000 0.276 525 P C -0.659 176.656 177.300 0.024 0.000 1.252 525 P CA -0.337 62.784 63.100 0.034 0.000 0.802 525 P CB 1.401 33.130 31.700 0.049 0.000 1.035 526 K N 0.000 120.410 120.400 0.017 0.000 2.780 526 K HA 0.000 4.320 4.320 0.000 0.000 0.191 526 K CA 0.000 nan 56.287 nan 0.000 0.838 526 K CB 0.000 nan 32.500 nan 0.000 1.064 526 K HN 0.000 nan 8.250 nan 0.000 0.543