REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1oel_1_B DATA FIRST_RESID 2 DATA SEQUENCE AAKDVKFGND AGVKMLRGVN VLADAVKVTL GPKGRNVVLD KSFGAPTITK DATA SEQUENCE DGVSVAREIE LEDKFENMGA QMVKEVASKA NDAAGDGTTT ATVLAQAIIT DATA SEQUENCE EGLKAVAAGM NPMDLKRGID KAVTVAVEEL KALSVPCSDS KAIAQVGTIS DATA SEQUENCE ANSDETVGKL IAEAMDKVGK EGVITVEDGT GLQDELDVVE GMQFDRGYLS DATA SEQUENCE PYFINKPETG AVELESPFIL LADKKISNIR EMLPVLEAVA KAGKPLLIIA DATA SEQUENCE EDVEGEALAT AVVNTIRGIV KVAAVKAPGF GDRRKAMLQD IATLTGGTVI DATA SEQUENCE SEEIGMELEK ATLEDLGQAK RVVINKDTTT IIDGVGEEAA IQGRVAQIRQ DATA SEQUENCE QIEEATSDYD REKLQERVAK LAGGVAVIKV GAATEVEMKE KKARVEDALH DATA SEQUENCE ATRAAVEEGV VAGGGVALIR VASKLADLRG QNEDQNVGIK VALRAMEAPL DATA SEQUENCE RQIVLNCGEE PSVVANTVKG GDGNYGYNAA TEEYGNMIDM GILDPTKVTR DATA SEQUENCE SALQYAASVA GLMITTECMV TDLP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.580 177.584 -0.007 0.000 1.274 2 A CA 0.000 52.031 52.037 -0.010 0.000 0.836 2 A CB 0.000 18.991 19.000 -0.016 0.000 0.831 3 A N 1.614 124.432 122.820 -0.002 0.000 2.587 3 A HA 0.462 4.782 4.320 0.000 0.000 0.235 3 A C 0.376 177.960 177.584 0.001 0.000 1.044 3 A CA 0.611 52.651 52.037 0.005 0.000 0.754 3 A CB -0.159 18.846 19.000 0.008 0.000 0.968 3 A HN 0.632 nan 8.150 nan 0.000 0.509 4 K N 1.136 121.541 120.400 0.009 0.000 2.211 4 K HA 0.461 4.781 4.320 0.000 0.000 0.237 4 K C -1.085 175.534 176.600 0.032 0.000 1.002 4 K CA -0.693 55.598 56.287 0.006 0.000 0.885 4 K CB 1.353 33.858 32.500 0.007 0.000 1.136 4 K HN 0.732 nan 8.250 nan 0.000 0.448 5 D N 0.945 121.373 120.400 0.046 0.000 2.492 5 D HA 0.336 4.976 4.640 0.000 0.000 0.248 5 D C -1.377 175.060 176.300 0.229 0.000 1.101 5 D CA -0.563 53.521 54.000 0.139 0.000 0.840 5 D CB 1.347 42.246 40.800 0.165 0.000 1.209 5 D HN 0.044 nan 8.370 nan 0.000 0.524 6 V N 4.290 124.292 119.914 0.147 0.000 2.495 6 V HA 0.481 4.601 4.120 0.000 0.000 0.298 6 V C 0.114 176.099 176.094 -0.183 0.000 1.031 6 V CA -0.745 61.548 62.300 -0.011 0.000 0.871 6 V CB 1.900 33.672 31.823 -0.084 0.000 0.988 6 V HN 0.377 nan 8.190 nan 0.000 0.432 7 K N 3.593 123.753 120.400 -0.399 0.000 2.318 7 K HA 0.753 5.073 4.320 0.000 0.000 0.249 7 K C -1.637 174.600 176.600 -0.605 0.000 0.942 7 K CA -0.496 55.498 56.287 -0.487 0.000 0.808 7 K CB 2.467 34.520 32.500 -0.745 0.000 1.189 7 K HN 0.448 nan 8.250 nan 0.000 0.428 8 F N -0.120 119.770 119.950 -0.101 0.000 2.593 8 F HA 0.434 4.961 4.527 0.000 0.000 0.320 8 F C 1.191 176.953 175.800 -0.063 0.000 1.060 8 F CA -0.023 57.942 58.000 -0.058 0.000 0.940 8 F CB 1.719 40.697 39.000 -0.037 0.000 1.268 8 F HN 0.816 nan 8.300 nan 0.000 0.475 9 G N 1.820 110.710 108.800 0.150 0.000 2.627 9 G HA2 -0.424 3.536 3.960 0.000 0.000 0.312 9 G HA3 -0.424 3.536 3.960 0.000 0.000 0.312 9 G C 0.916 175.827 174.900 0.019 0.000 1.299 9 G CA 0.934 46.076 45.100 0.071 0.000 0.989 9 G HN 0.823 nan 8.290 nan 0.000 0.547 10 N N 0.533 119.240 118.700 0.011 0.000 2.272 10 N HA -0.091 4.649 4.740 0.000 0.000 0.185 10 N C 1.597 177.089 175.510 -0.030 0.000 1.014 10 N CA 1.199 54.245 53.050 -0.007 0.000 0.870 10 N CB -0.162 38.323 38.487 -0.004 0.000 0.975 10 N HN 0.517 nan 8.380 nan 0.000 0.433 11 D N 0.769 121.143 120.400 -0.042 0.000 2.097 11 D HA -0.065 4.575 4.640 0.000 0.000 0.195 11 D C 1.937 178.145 176.300 -0.153 0.000 0.989 11 D CA 1.012 54.956 54.000 -0.092 0.000 0.827 11 D CB -0.268 40.469 40.800 -0.105 0.000 0.966 11 D HN 0.253 nan 8.370 nan 0.000 0.456 12 A N 0.213 122.936 122.820 -0.162 0.000 2.015 12 A HA 0.066 4.386 4.320 0.000 0.000 0.219 12 A C 2.255 179.792 177.584 -0.078 0.000 1.163 12 A CA 1.820 53.748 52.037 -0.181 0.000 0.646 12 A CB -0.900 18.009 19.000 -0.152 0.000 0.806 12 A HN 0.296 nan 8.150 nan 0.000 0.448 13 G N 0.193 108.964 108.800 -0.049 0.000 2.453 13 G HA2 -0.161 3.799 3.960 0.000 0.000 0.215 13 G HA3 -0.161 3.799 3.960 0.000 0.000 0.215 13 G C 1.664 176.554 174.900 -0.017 0.000 1.201 13 G CA 2.035 47.122 45.100 -0.021 0.000 0.784 13 G HN 0.982 nan 8.290 nan 0.000 0.545 14 V N -0.936 118.963 119.914 -0.025 0.000 2.469 14 V HA -0.115 4.005 4.120 0.000 0.000 0.251 14 V C 2.515 178.605 176.094 -0.008 0.000 1.064 14 V CA 2.253 64.544 62.300 -0.015 0.000 1.066 14 V CB -0.531 31.280 31.823 -0.019 0.000 0.667 14 V HN 0.083 nan 8.190 nan 0.000 0.461 15 K N 0.280 120.668 120.400 -0.020 0.000 2.002 15 K HA -0.012 4.308 4.320 0.000 0.000 0.209 15 K C 2.270 178.898 176.600 0.046 0.000 1.048 15 K CA 2.260 58.558 56.287 0.018 0.000 0.930 15 K CB -0.609 31.895 32.500 0.007 0.000 0.714 15 K HN 0.559 nan 8.250 nan 0.000 0.438 16 M N 0.348 119.970 119.600 0.037 0.000 2.117 16 M HA -0.165 4.315 4.480 0.000 0.000 0.262 16 M C 2.208 178.524 176.300 0.027 0.000 1.065 16 M CA 1.027 56.351 55.300 0.040 0.000 1.114 16 M CB -0.377 32.243 32.600 0.033 0.000 1.361 16 M HN 0.008 nan 8.290 nan 0.000 0.408 17 L N 0.737 121.970 121.223 0.018 0.000 2.079 17 L HA -0.186 4.154 4.340 0.000 0.000 0.210 17 L C 2.447 179.326 176.870 0.016 0.000 1.081 17 L CA 1.900 56.748 54.840 0.014 0.000 0.752 17 L CB -0.552 41.513 42.059 0.009 0.000 0.896 17 L HN 0.177 nan 8.230 nan 0.000 0.433 18 R N -0.961 119.550 120.500 0.019 0.000 2.075 18 R HA -0.055 4.285 4.340 0.000 0.000 0.232 18 R C 2.177 178.490 176.300 0.022 0.000 1.126 18 R CA 1.135 57.247 56.100 0.020 0.000 0.963 18 R CB -0.934 29.380 30.300 0.023 0.000 0.858 18 R HN 0.546 nan 8.270 nan 0.000 0.435 19 G N 0.438 109.255 108.800 0.028 0.000 2.422 19 G HA2 -0.162 3.798 3.960 0.000 0.000 0.218 19 G HA3 -0.162 3.798 3.960 0.000 0.000 0.218 19 G C 1.454 176.364 174.900 0.017 0.000 1.140 19 G CA 0.379 45.494 45.100 0.025 0.000 0.775 19 G HN 0.107 nan 8.290 nan 0.000 0.545 20 V N 1.325 121.250 119.914 0.018 0.000 2.453 20 V HA -0.127 3.993 4.120 0.000 0.000 0.247 20 V C 2.564 178.665 176.094 0.011 0.000 1.048 20 V CA 1.535 63.843 62.300 0.014 0.000 1.049 20 V CB -0.356 31.477 31.823 0.015 0.000 0.672 20 V HN 0.295 nan 8.190 nan 0.000 0.457 21 N N 0.294 119.000 118.700 0.011 0.000 2.223 21 N HA -0.116 4.624 4.740 0.000 0.000 0.185 21 N C 1.764 177.278 175.510 0.008 0.000 1.016 21 N CA 1.253 54.309 53.050 0.009 0.000 0.863 21 N CB -0.299 38.194 38.487 0.009 0.000 0.983 21 N HN 0.353 nan 8.380 nan 0.000 0.429 22 V N 1.446 121.365 119.914 0.008 0.000 2.307 22 V HA -0.168 3.952 4.120 0.000 0.000 0.245 22 V C 2.392 178.489 176.094 0.004 0.000 1.045 22 V CA 1.033 63.337 62.300 0.006 0.000 1.024 22 V CB -0.573 31.254 31.823 0.007 0.000 0.651 22 V HN 0.184 nan 8.190 nan 0.000 0.449 23 L N 1.042 122.268 121.223 0.004 0.000 1.994 23 L HA -0.098 4.242 4.340 0.000 0.000 0.208 23 L C 2.434 179.305 176.870 0.002 0.000 1.071 23 L CA 2.584 57.425 54.840 0.001 0.000 0.745 23 L CB -1.002 41.058 42.059 0.001 0.000 0.892 23 L HN 0.202 nan 8.230 nan 0.000 0.431 24 A N -0.732 122.090 122.820 0.004 0.000 1.877 24 A HA -0.208 4.112 4.320 0.000 0.000 0.216 24 A C 1.980 179.566 177.584 0.003 0.000 1.186 24 A CA 1.854 53.893 52.037 0.004 0.000 0.620 24 A CB -0.953 18.050 19.000 0.006 0.000 0.822 24 A HN 0.574 nan 8.150 nan 0.000 0.443 25 D N 0.118 120.520 120.400 0.004 0.000 2.178 25 D HA -0.020 4.620 4.640 0.000 0.000 0.201 25 D C 2.158 178.459 176.300 0.002 0.000 0.980 25 D CA 1.403 55.404 54.000 0.003 0.000 0.842 25 D CB -0.390 40.412 40.800 0.003 0.000 0.948 25 D HN 0.439 nan 8.370 nan 0.000 0.472 26 A N 0.478 123.298 122.820 0.001 0.000 1.855 26 A HA -0.105 4.215 4.320 0.000 0.000 0.215 26 A C 2.500 180.084 177.584 -0.000 0.000 1.191 26 A CA 1.108 53.145 52.037 0.000 0.000 0.613 26 A CB -0.726 18.274 19.000 -0.001 0.000 0.829 26 A HN 0.137 nan 8.150 nan 0.000 0.442 27 V N 1.496 121.409 119.914 -0.001 0.000 2.358 27 V HA -0.249 3.871 4.120 0.000 0.000 0.246 27 V C 2.528 178.622 176.094 0.000 0.000 1.047 27 V CA 2.254 64.553 62.300 -0.002 0.000 1.035 27 V CB -0.752 31.070 31.823 -0.003 0.000 0.658 27 V HN 0.846 nan 8.190 nan 0.000 0.452 28 K N 1.381 121.782 120.400 0.001 0.000 2.442 28 K HA -0.081 4.239 4.320 0.000 0.000 0.198 28 K C 1.831 178.432 176.600 0.002 0.000 1.042 28 K CA 1.580 57.868 56.287 0.002 0.000 0.958 28 K CB -0.561 31.941 32.500 0.003 0.000 0.766 28 K HN 0.488 nan 8.250 nan 0.000 0.474 29 V N 0.087 120.002 119.914 0.001 0.000 2.759 29 V HA -0.168 3.952 4.120 0.000 0.000 0.256 29 V C 2.217 178.312 176.094 0.002 0.000 1.080 29 V CA 1.879 64.180 62.300 0.002 0.000 1.101 29 V CB -1.220 30.604 31.823 0.001 0.000 0.698 29 V HN 0.544 nan 8.190 nan 0.000 0.477 30 T N -2.348 112.207 114.554 0.001 0.000 3.129 30 T HA 0.240 4.590 4.350 0.000 0.000 0.251 30 T C 0.514 175.216 174.700 0.002 0.000 1.117 30 T CA -0.112 61.989 62.100 0.001 0.000 1.034 30 T CB -0.327 68.541 68.868 0.000 0.000 0.968 30 T HN 0.351 nan 8.240 nan 0.000 0.526 31 L N 2.436 123.661 121.223 0.003 0.000 2.410 31 L HA 0.553 4.893 4.340 0.000 0.000 0.273 31 L C 0.863 177.737 176.870 0.007 0.000 1.152 31 L CA 1.617 56.460 54.840 0.005 0.000 0.855 31 L CB -0.255 41.807 42.059 0.006 0.000 1.129 31 L HN 0.685 nan 8.230 nan 0.000 0.463 32 G N 4.279 113.083 108.800 0.007 0.000 2.707 32 G HA2 -0.141 3.819 3.960 0.000 0.000 0.686 32 G HA3 -0.141 3.819 3.960 0.000 0.000 0.686 32 G C -2.036 172.865 174.900 0.003 0.000 1.315 32 G CA -0.315 44.790 45.100 0.008 0.000 0.832 32 G HN 0.567 nan 8.290 nan 0.000 0.573 33 P HA 0.012 nan 4.420 nan 0.000 0.222 33 P C 0.882 178.179 177.300 -0.005 0.000 1.147 33 P CA 1.184 64.278 63.100 -0.009 0.000 0.790 33 P CB 0.082 31.769 31.700 -0.022 0.000 0.780 34 K N 0.463 120.864 120.400 0.002 0.000 2.675 34 K HA 0.331 4.651 4.320 0.000 0.000 0.213 34 K C 0.821 177.424 176.600 0.005 0.000 1.074 34 K CA -0.267 56.022 56.287 0.004 0.000 1.172 34 K CB -0.266 32.240 32.500 0.010 0.000 0.927 34 K HN 0.030 nan 8.250 nan 0.000 0.471 35 G N 1.056 109.858 108.800 0.003 0.000 2.441 35 G HA2 0.113 4.073 3.960 0.000 0.000 0.243 35 G HA3 0.113 4.073 3.960 0.000 0.000 0.243 35 G C -0.049 174.852 174.900 0.002 0.000 1.281 35 G CA -0.516 44.586 45.100 0.003 0.000 0.854 35 G HN 0.082 nan 8.290 nan 0.000 0.560 36 R N 1.133 121.635 120.500 0.002 0.000 2.546 36 R HA 0.258 4.599 4.340 0.000 0.000 0.266 36 R C 0.399 176.700 176.300 0.001 0.000 1.086 36 R CA -0.757 55.344 56.100 0.002 0.000 1.160 36 R CB 0.248 30.549 30.300 0.002 0.000 1.138 36 R HN 0.563 nan 8.270 nan 0.000 0.567 37 N N -0.286 118.415 118.700 0.001 0.000 2.463 37 N HA 0.296 5.036 4.740 0.000 0.000 0.270 37 N C -0.739 174.772 175.510 0.001 0.000 1.205 37 N CA -0.314 52.736 53.050 0.001 0.000 0.974 37 N CB 1.431 39.919 38.487 0.002 0.000 1.197 37 N HN 0.054 nan 8.380 nan 0.000 0.504 38 V N 1.414 121.328 119.914 0.001 0.000 2.577 38 V HA 0.246 4.366 4.120 0.000 0.000 0.303 38 V C -0.286 175.809 176.094 0.001 0.000 1.042 38 V CA -0.807 61.493 62.300 0.001 0.000 0.872 38 V CB 2.109 33.932 31.823 -0.001 0.000 0.998 38 V HN 0.299 nan 8.190 nan 0.000 0.423 39 V N 6.427 126.343 119.914 0.002 0.000 2.383 39 V HA 0.467 4.587 4.120 0.000 0.000 0.275 39 V C -0.199 175.897 176.094 0.004 0.000 1.036 39 V CA -0.401 61.901 62.300 0.004 0.000 0.889 39 V CB 1.315 33.141 31.823 0.005 0.000 0.985 39 V HN 0.622 nan 8.190 nan 0.000 0.459 40 L N 3.971 125.197 121.223 0.004 0.000 2.294 40 L HA 0.490 4.830 4.340 0.000 0.000 0.283 40 L C 0.051 176.926 176.870 0.009 0.000 1.015 40 L CA -0.577 54.266 54.840 0.004 0.000 0.831 40 L CB 1.382 43.441 42.059 -0.001 0.000 1.217 40 L HN 0.512 nan 8.230 nan 0.000 0.420 41 D N 3.828 124.234 120.400 0.010 0.000 2.400 41 D HA 0.148 4.788 4.640 0.000 0.000 0.238 41 D C -0.482 175.832 176.300 0.024 0.000 1.157 41 D CA 0.412 54.422 54.000 0.017 0.000 0.889 41 D CB 0.850 41.658 40.800 0.013 0.000 1.199 41 D HN 0.218 nan 8.370 nan 0.000 0.436 42 K N 0.885 121.309 120.400 0.040 0.000 2.468 42 K HA 0.195 4.515 4.320 0.000 0.000 0.252 42 K C 0.577 177.225 176.600 0.080 0.000 0.932 42 K CA -0.589 55.738 56.287 0.067 0.000 0.794 42 K CB 1.615 34.175 32.500 0.100 0.000 1.241 42 K HN 0.332 nan 8.250 nan 0.000 0.428 43 S N 0.798 116.553 115.700 0.091 0.000 2.436 43 S HA -0.061 4.409 4.470 0.000 0.000 0.228 43 S C 1.631 176.295 174.600 0.106 0.000 1.014 43 S CA 0.213 58.459 58.200 0.077 0.000 0.950 43 S CB -0.333 62.907 63.200 0.066 0.000 0.784 43 S HN 0.553 nan 8.310 nan 0.000 0.504 44 F N 3.254 123.198 119.950 -0.010 0.000 2.373 44 F HA 0.248 4.775 4.527 0.000 0.000 0.300 44 F C 1.372 177.167 175.800 -0.008 0.000 1.080 44 F CA 0.687 58.681 58.000 -0.010 0.000 1.417 44 F CB -0.357 38.636 39.000 -0.012 0.000 1.070 44 F HN 0.460 nan 8.300 nan 0.000 0.546 45 G N -1.080 107.742 108.800 0.037 0.000 2.520 45 G HA2 0.364 4.324 3.960 0.000 0.000 0.067 45 G HA3 0.364 4.324 3.960 0.000 0.000 0.067 45 G C -1.061 173.849 174.900 0.018 0.000 0.977 45 G CA -0.302 44.778 45.100 -0.032 0.000 1.152 45 G HN 0.388 nan 8.290 nan 0.000 0.479 46 A N 1.168 124.004 122.820 0.028 0.000 2.316 46 A HA 0.799 5.119 4.320 0.000 0.000 0.284 46 A C -2.049 175.560 177.584 0.042 0.000 1.115 46 A CA -0.782 51.271 52.037 0.026 0.000 0.812 46 A CB -0.088 18.923 19.000 0.018 0.000 1.064 46 A HN 0.405 nan 8.150 nan 0.000 0.489 47 P HA 0.216 nan 4.420 nan 0.000 0.270 47 P C -0.096 177.220 177.300 0.027 0.000 1.227 47 P CA 0.108 63.224 63.100 0.028 0.000 0.788 47 P CB 0.344 32.054 31.700 0.017 0.000 0.926 48 T N -1.212 113.355 114.554 0.022 0.000 2.771 48 T HA 0.627 4.977 4.350 0.000 0.000 0.281 48 T C -0.026 174.680 174.700 0.010 0.000 0.982 48 T CA -0.733 61.377 62.100 0.017 0.000 0.978 48 T CB 0.069 68.944 68.868 0.012 0.000 0.930 48 T HN 0.140 nan 8.240 nan 0.000 0.447 49 I N 3.160 123.735 120.570 0.009 0.000 2.315 49 I HA 0.470 4.640 4.170 0.000 0.000 0.291 49 I C 0.602 176.721 176.117 0.003 0.000 1.006 49 I CA -0.454 60.849 61.300 0.005 0.000 1.265 49 I CB 1.517 39.521 38.000 0.006 0.000 1.387 49 I HN 0.728 nan 8.210 nan 0.000 0.475 50 T N 4.642 119.197 114.554 0.001 0.000 2.864 50 T HA 0.425 4.775 4.350 0.000 0.000 0.299 50 T C 0.069 174.769 174.700 -0.001 0.000 1.166 50 T CA -0.556 61.543 62.100 -0.000 0.000 1.007 50 T CB 1.767 70.633 68.868 -0.003 0.000 1.219 50 T HN 0.667 nan 8.240 nan 0.000 0.506 51 K N 0.781 121.181 120.400 -0.001 0.000 2.483 51 K HA 0.178 4.498 4.320 0.000 0.000 0.206 51 K C -0.587 176.012 176.600 -0.002 0.000 1.086 51 K CA -0.338 55.949 56.287 -0.001 0.000 1.052 51 K CB 0.633 33.133 32.500 -0.000 0.000 0.904 51 K HN 0.412 nan 8.250 nan 0.000 0.557 52 D N 0.962 121.360 120.400 -0.003 0.000 2.374 52 D HA 0.061 4.701 4.640 0.000 0.000 0.240 52 D C 1.107 177.403 176.300 -0.006 0.000 1.229 52 D CA 0.032 54.029 54.000 -0.004 0.000 0.895 52 D CB 1.146 41.943 40.800 -0.006 0.000 1.046 52 D HN 0.281 nan 8.370 nan 0.000 0.498 53 G N 2.669 111.466 108.800 -0.005 0.000 2.485 53 G HA2 -0.220 3.740 3.960 0.000 0.000 0.221 53 G HA3 -0.220 3.740 3.960 0.000 0.000 0.221 53 G C 1.580 176.474 174.900 -0.010 0.000 1.115 53 G CA 0.499 45.595 45.100 -0.006 0.000 0.751 53 G HN 0.487 nan 8.290 nan 0.000 0.567 54 V N 0.841 120.748 119.914 -0.013 0.000 2.427 54 V HA -0.151 3.970 4.120 0.000 0.000 0.248 54 V C 3.057 179.140 176.094 -0.020 0.000 1.051 54 V CA 2.139 64.428 62.300 -0.018 0.000 1.048 54 V CB -0.256 31.555 31.823 -0.020 0.000 0.666 54 V HN 0.379 nan 8.190 nan 0.000 0.456 55 S N -0.115 115.575 115.700 -0.017 0.000 2.368 55 S HA -0.147 4.323 4.470 0.000 0.000 0.224 55 S C 2.014 176.604 174.600 -0.018 0.000 1.029 55 S CA 1.399 59.587 58.200 -0.020 0.000 0.988 55 S CB -0.153 63.037 63.200 -0.017 0.000 0.838 55 S HN 0.392 nan 8.310 nan 0.000 0.462 56 V N 2.269 122.175 119.914 -0.013 0.000 2.261 56 V HA -0.208 3.913 4.120 0.000 0.000 0.246 56 V C 2.730 178.816 176.094 -0.013 0.000 1.047 56 V CA 1.726 64.019 62.300 -0.011 0.000 1.015 56 V CB -1.336 30.483 31.823 -0.008 0.000 0.642 56 V HN 0.539 nan 8.190 nan 0.000 0.446 57 A N 0.135 122.947 122.820 -0.014 0.000 1.917 57 A HA -0.310 4.010 4.320 0.000 0.000 0.219 57 A C 2.400 179.972 177.584 -0.019 0.000 1.182 57 A CA 2.289 54.316 52.037 -0.016 0.000 0.633 57 A CB -0.685 18.305 19.000 -0.018 0.000 0.819 57 A HN 0.501 nan 8.150 nan 0.000 0.448 58 R N -0.451 120.035 120.500 -0.023 0.000 2.170 58 R HA -0.152 4.188 4.340 0.000 0.000 0.242 58 R C 1.166 177.451 176.300 -0.027 0.000 1.145 58 R CA 1.619 57.703 56.100 -0.028 0.000 0.984 58 R CB -0.085 30.195 30.300 -0.033 0.000 0.869 58 R HN 0.486 nan 8.270 nan 0.000 0.455 59 E N 0.124 120.311 120.200 -0.022 0.000 2.474 59 E HA 0.026 4.376 4.350 0.000 0.000 0.194 59 E C 0.044 176.635 176.600 -0.015 0.000 1.041 59 E CA 0.081 56.470 56.400 -0.019 0.000 0.874 59 E CB 0.391 30.082 29.700 -0.015 0.000 0.914 59 E HN 0.266 nan 8.360 nan 0.000 0.498 60 I N 2.257 122.818 120.570 -0.014 0.000 2.363 60 I HA 0.152 4.322 4.170 0.000 0.000 0.292 60 I C 0.323 176.433 176.117 -0.012 0.000 1.075 60 I CA 0.185 61.479 61.300 -0.011 0.000 1.333 60 I CB 0.072 38.067 38.000 -0.008 0.000 1.415 60 I HN -0.044 nan 8.210 nan 0.000 0.502 61 E N 7.394 127.588 120.200 -0.011 0.000 2.290 61 E HA 0.553 4.903 4.350 0.000 0.000 0.274 61 E C -1.682 174.912 176.600 -0.010 0.000 0.889 61 E CA -0.628 55.765 56.400 -0.012 0.000 0.760 61 E CB 2.045 31.736 29.700 -0.016 0.000 1.206 61 E HN 0.462 nan 8.360 nan 0.000 0.419 62 L N 3.399 124.616 121.223 -0.009 0.000 2.334 62 L HA 0.379 4.719 4.340 0.000 0.000 0.270 62 L C 1.418 178.282 176.870 -0.010 0.000 1.018 62 L CA -0.553 54.284 54.840 -0.005 0.000 0.811 62 L CB 1.541 43.602 42.059 0.003 0.000 1.271 62 L HN 0.787 nan 8.230 nan 0.000 0.443 63 E N 0.549 120.745 120.200 -0.005 0.000 2.046 63 E HA -0.159 4.191 4.350 0.000 0.000 0.190 63 E C 0.471 177.063 176.600 -0.013 0.000 0.982 63 E CA 0.460 56.855 56.400 -0.009 0.000 0.800 63 E CB 0.275 29.974 29.700 -0.002 0.000 0.756 63 E HN 0.647 nan 8.360 nan 0.000 0.449 64 D N 0.701 121.104 120.400 0.003 0.000 2.434 64 D HA -0.073 4.567 4.640 0.000 0.000 0.252 64 D C 0.720 177.004 176.300 -0.027 0.000 1.185 64 D CA 0.046 54.055 54.000 0.015 0.000 0.886 64 D CB 0.937 41.775 40.800 0.063 0.000 1.148 64 D HN 0.028 nan 8.370 nan 0.000 0.483 65 K N 3.754 124.085 120.400 -0.116 0.000 2.063 65 K HA -0.171 4.149 4.320 0.000 0.000 0.208 65 K C 1.955 178.389 176.600 -0.275 0.000 1.048 65 K CA 1.201 57.339 56.287 -0.249 0.000 0.928 65 K CB -0.441 31.810 32.500 -0.415 0.000 0.713 65 K HN 0.482 nan 8.250 nan 0.000 0.442 66 F N 1.880 121.817 119.950 -0.021 0.000 2.084 66 F HA -0.086 4.441 4.527 -0.000 0.000 0.296 66 F C 2.445 178.234 175.800 -0.018 0.000 1.111 66 F CA 1.197 59.182 58.000 -0.024 0.000 1.224 66 F CB -0.661 38.323 39.000 -0.027 0.000 0.991 66 F HN 0.112 nan 8.300 nan 0.000 0.471 67 E N -0.040 120.258 120.200 0.163 0.000 2.118 67 E HA -0.257 4.093 4.350 0.000 0.000 0.195 67 E C 2.028 178.655 176.600 0.044 0.000 0.992 67 E CA 1.167 57.620 56.400 0.087 0.000 0.804 67 E CB -0.480 29.259 29.700 0.065 0.000 0.741 67 E HN 0.438 nan 8.360 nan 0.000 0.458 68 N N 0.509 119.220 118.700 0.017 0.000 2.244 68 N HA -0.142 4.598 4.740 0.000 0.000 0.183 68 N C 1.839 177.345 175.510 -0.006 0.000 1.016 68 N CA 0.747 53.794 53.050 -0.005 0.000 0.866 68 N CB 0.052 38.522 38.487 -0.028 0.000 0.980 68 N HN 0.190 nan 8.380 nan 0.000 0.430 69 M N -0.007 119.592 119.600 -0.002 0.000 2.175 69 M HA -0.044 4.436 4.480 0.000 0.000 0.264 69 M C 2.301 178.614 176.300 0.021 0.000 1.063 69 M CA 1.436 56.738 55.300 0.003 0.000 1.119 69 M CB -0.399 32.207 32.600 0.011 0.000 1.377 69 M HN 0.184 nan 8.290 nan 0.000 0.415 70 G N 0.022 108.845 108.800 0.038 0.000 2.421 70 G HA2 -0.165 3.795 3.960 0.000 0.000 0.216 70 G HA3 -0.165 3.795 3.960 0.000 0.000 0.216 70 G C 1.595 176.507 174.900 0.019 0.000 1.171 70 G CA 1.024 46.144 45.100 0.033 0.000 0.775 70 G HN 0.533 nan 8.290 nan 0.000 0.543 71 A N 0.052 122.881 122.820 0.015 0.000 1.898 71 A HA -0.036 4.284 4.320 0.000 0.000 0.216 71 A C 2.392 179.976 177.584 0.000 0.000 1.181 71 A CA 1.847 53.888 52.037 0.007 0.000 0.620 71 A CB -0.306 18.696 19.000 0.004 0.000 0.819 71 A HN 0.315 nan 8.150 nan 0.000 0.442 72 Q N -0.759 119.040 119.800 -0.002 0.000 2.224 72 Q HA -0.049 4.291 4.340 0.000 0.000 0.203 72 Q C 2.018 178.015 176.000 -0.005 0.000 0.970 72 Q CA 1.228 57.026 55.803 -0.008 0.000 0.865 72 Q CB -0.480 28.251 28.738 -0.012 0.000 0.922 72 Q HN 0.773 nan 8.270 nan 0.000 0.445 73 M N -0.397 119.204 119.600 0.002 0.000 2.064 73 M HA -0.141 4.339 4.480 0.000 0.000 0.260 73 M C 2.249 178.551 176.300 0.004 0.000 1.073 73 M CA 1.182 56.485 55.300 0.006 0.000 1.124 73 M CB -0.299 32.310 32.600 0.014 0.000 1.326 73 M HN -0.055 nan 8.290 nan 0.000 0.410 74 V N 0.677 120.595 119.914 0.007 0.000 2.332 74 V HA -0.309 3.812 4.120 0.000 0.000 0.248 74 V C 2.147 178.236 176.094 -0.009 0.000 1.055 74 V CA 1.852 64.155 62.300 0.006 0.000 1.038 74 V CB -0.796 31.032 31.823 0.009 0.000 0.651 74 V HN 0.446 nan 8.190 nan 0.000 0.450 75 K N -0.363 120.029 120.400 -0.014 0.000 2.057 75 K HA -0.216 4.104 4.320 0.000 0.000 0.207 75 K C 2.297 178.873 176.600 -0.041 0.000 1.049 75 K CA 1.602 57.874 56.287 -0.025 0.000 0.931 75 K CB -0.200 32.287 32.500 -0.021 0.000 0.714 75 K HN 0.493 nan 8.250 nan 0.000 0.440 76 E N 0.700 120.879 120.200 -0.035 0.000 2.047 76 E HA -0.163 4.188 4.350 0.000 0.000 0.191 76 E C 1.998 178.548 176.600 -0.084 0.000 0.987 76 E CA 1.200 57.572 56.400 -0.048 0.000 0.799 76 E CB 0.200 29.884 29.700 -0.027 0.000 0.752 76 E HN 0.051 nan 8.360 nan 0.000 0.449 77 V N 1.274 121.148 119.914 -0.066 0.000 2.270 77 V HA -0.222 3.898 4.120 0.000 0.000 0.245 77 V C 2.528 178.492 176.094 -0.217 0.000 1.043 77 V CA 1.736 63.975 62.300 -0.101 0.000 1.014 77 V CB -0.870 30.968 31.823 0.024 0.000 0.645 77 V HN 0.354 nan 8.190 nan 0.000 0.447 78 A N 0.841 123.595 122.820 -0.110 0.000 1.978 78 A HA -0.239 4.081 4.320 0.000 0.000 0.220 78 A C 2.521 180.006 177.584 -0.166 0.000 1.170 78 A CA 2.329 54.305 52.037 -0.102 0.000 0.636 78 A CB -0.743 18.235 19.000 -0.037 0.000 0.810 78 A HN 0.712 nan 8.150 nan 0.000 0.448 79 S N -0.304 115.295 115.700 -0.167 0.000 2.423 79 S HA -0.127 4.343 4.470 0.000 0.000 0.231 79 S C 1.734 176.194 174.600 -0.234 0.000 1.014 79 S CA 1.317 59.424 58.200 -0.154 0.000 0.965 79 S CB -0.319 62.816 63.200 -0.107 0.000 0.785 79 S HN 0.621 nan 8.310 nan 0.000 0.495 80 K N 1.395 121.545 120.400 -0.416 0.000 2.211 80 K HA 0.122 4.442 4.320 0.000 0.000 0.203 80 K C 2.473 178.737 176.600 -0.561 0.000 1.050 80 K CA 1.007 56.947 56.287 -0.577 0.000 0.945 80 K CB -0.481 31.450 32.500 -0.948 0.000 0.732 80 K HN 0.513 nan 8.250 nan 0.000 0.451 81 A N 1.792 124.292 122.820 -0.533 0.000 1.858 81 A HA -0.233 4.087 4.320 0.000 0.000 0.216 81 A C 1.900 179.466 177.584 -0.030 0.000 1.190 81 A CA 1.950 53.946 52.037 -0.069 0.000 0.617 81 A CB -0.723 18.311 19.000 0.057 0.000 0.827 81 A HN 0.262 nan 8.150 nan 0.000 0.443 82 N N 0.057 118.712 118.700 -0.074 0.000 2.104 82 N HA -0.141 4.599 4.740 0.000 0.000 0.190 82 N C 1.267 176.733 175.510 -0.073 0.000 1.024 82 N CA 1.613 54.628 53.050 -0.058 0.000 0.853 82 N CB -0.188 38.262 38.487 -0.063 0.000 1.008 82 N HN 0.432 nan 8.380 nan 0.000 0.424 83 D N -0.246 120.100 120.400 -0.091 0.000 2.117 83 D HA -0.091 4.549 4.640 0.000 0.000 0.197 83 D C 1.771 178.039 176.300 -0.054 0.000 0.987 83 D CA 1.206 55.154 54.000 -0.086 0.000 0.829 83 D CB -0.374 40.371 40.800 -0.092 0.000 0.961 83 D HN 0.334 nan 8.370 nan 0.000 0.460 84 A N 0.754 123.569 122.820 -0.008 0.000 1.840 84 A HA 0.105 4.425 4.320 0.000 0.000 0.214 84 A C 2.106 179.708 177.584 0.031 0.000 1.198 84 A CA 2.069 54.135 52.037 0.048 0.000 0.608 84 A CB -0.416 18.684 19.000 0.167 0.000 0.839 84 A HN 0.233 nan 8.150 nan 0.000 0.443 85 A N -2.536 120.305 122.820 0.035 0.000 2.348 85 A HA 0.457 4.777 4.320 0.000 0.000 0.224 85 A C 1.640 179.225 177.584 0.002 0.000 1.227 85 A CA 1.085 53.138 52.037 0.027 0.000 0.885 85 A CB -0.499 18.529 19.000 0.047 0.000 0.933 85 A HN 1.937 nan 8.150 nan 0.000 0.506 86 G N -1.016 107.762 108.800 -0.037 0.000 2.159 86 G HA2 -0.166 3.794 3.960 0.000 0.000 0.256 86 G HA3 -0.166 3.794 3.960 0.000 0.000 0.256 86 G C -0.158 174.726 174.900 -0.027 0.000 0.977 86 G CA 0.571 45.627 45.100 -0.072 0.000 0.652 86 G HN 0.840 nan 8.290 nan 0.000 0.531 87 D N -3.396 116.999 120.400 -0.009 0.000 2.807 87 D HA 0.568 5.208 4.640 0.000 0.000 0.279 87 D C 0.866 177.173 176.300 0.012 0.000 1.247 87 D CA 1.540 55.542 54.000 0.003 0.000 0.749 87 D CB 0.192 41.001 40.800 0.016 0.000 1.264 87 D HN 1.362 nan 8.370 nan 0.000 0.421 88 G N -0.574 108.234 108.800 0.014 0.000 2.284 88 G HA2 -0.254 3.706 3.960 0.000 0.000 0.201 88 G HA3 -0.254 3.706 3.960 0.000 0.000 0.201 88 G C 1.169 176.080 174.900 0.019 0.000 0.998 88 G CA 0.820 45.936 45.100 0.026 0.000 0.651 88 G HN 0.570 nan 8.290 nan 0.000 0.489 89 T N 1.389 115.941 114.554 -0.003 0.000 2.635 89 T HA -0.138 4.213 4.350 0.000 0.000 0.267 89 T C 2.502 177.199 174.700 -0.004 0.000 1.040 89 T CA 2.578 64.669 62.100 -0.016 0.000 1.156 89 T CB -0.543 68.306 68.868 -0.032 0.000 0.863 89 T HN 0.446 nan 8.240 nan 0.000 0.430 90 T N 1.744 116.297 114.554 -0.001 0.000 2.777 90 T HA -0.096 4.254 4.350 0.000 0.000 0.266 90 T C 2.287 176.992 174.700 0.009 0.000 1.040 90 T CA 1.652 63.753 62.100 0.003 0.000 1.141 90 T CB -0.649 68.221 68.868 0.002 0.000 0.868 90 T HN 0.466 nan 8.240 nan 0.000 0.444 91 T N 2.121 116.684 114.554 0.015 0.000 2.746 91 T HA 0.003 4.353 4.350 0.000 0.000 0.267 91 T C 2.436 177.152 174.700 0.027 0.000 1.039 91 T CA 1.037 63.149 62.100 0.020 0.000 1.142 91 T CB -0.554 68.329 68.868 0.023 0.000 0.866 91 T HN 0.420 nan 8.240 nan 0.000 0.444 92 A N 1.628 124.468 122.820 0.033 0.000 1.908 92 A HA -0.144 4.176 4.320 0.000 0.000 0.218 92 A C 2.568 180.172 177.584 0.033 0.000 1.181 92 A CA 2.090 54.155 52.037 0.047 0.000 0.627 92 A CB -1.315 17.719 19.000 0.056 0.000 0.818 92 A HN 0.479 nan 8.150 nan 0.000 0.445 93 T N -0.433 114.132 114.554 0.019 0.000 2.777 93 T HA -0.094 4.256 4.350 0.000 0.000 0.266 93 T C 1.896 176.605 174.700 0.015 0.000 1.040 93 T CA 1.505 63.613 62.100 0.013 0.000 1.141 93 T CB -0.416 68.455 68.868 0.005 0.000 0.868 93 T HN 0.163 nan 8.240 nan 0.000 0.444 94 V N 1.584 121.506 119.914 0.014 0.000 2.295 94 V HA -0.131 3.989 4.120 0.000 0.000 0.246 94 V C 2.492 178.595 176.094 0.015 0.000 1.049 94 V CA 1.515 63.822 62.300 0.012 0.000 1.024 94 V CB -0.725 31.105 31.823 0.011 0.000 0.648 94 V HN 0.412 nan 8.190 nan 0.000 0.447 95 L N 0.036 121.271 121.223 0.020 0.000 1.994 95 L HA -0.159 4.182 4.340 0.000 0.000 0.208 95 L C 2.804 179.687 176.870 0.022 0.000 1.071 95 L CA 1.659 56.511 54.840 0.021 0.000 0.745 95 L CB -0.923 41.151 42.059 0.027 0.000 0.892 95 L HN 0.349 nan 8.230 nan 0.000 0.431 96 A N -0.324 122.512 122.820 0.027 0.000 1.892 96 A HA -0.348 3.972 4.320 0.000 0.000 0.218 96 A C 2.276 179.872 177.584 0.020 0.000 1.188 96 A CA 2.302 54.355 52.037 0.027 0.000 0.631 96 A CB -0.802 18.216 19.000 0.030 0.000 0.822 96 A HN 0.550 nan 8.150 nan 0.000 0.447 97 Q N -0.657 119.153 119.800 0.017 0.000 2.096 97 Q HA -0.154 4.186 4.340 0.000 0.000 0.204 97 Q C 2.179 178.186 176.000 0.012 0.000 0.982 97 Q CA 1.860 57.671 55.803 0.013 0.000 0.850 97 Q CB -0.373 28.372 28.738 0.011 0.000 0.901 97 Q HN 0.616 nan 8.270 nan 0.000 0.422 98 A N 0.828 123.655 122.820 0.012 0.000 1.877 98 A HA -0.156 4.164 4.320 0.000 0.000 0.216 98 A C 2.011 179.602 177.584 0.011 0.000 1.186 98 A CA 1.470 53.514 52.037 0.010 0.000 0.620 98 A CB -0.686 18.320 19.000 0.010 0.000 0.822 98 A HN 0.492 nan 8.150 nan 0.000 0.443 99 I N -0.425 120.153 120.570 0.013 0.000 2.226 99 I HA -0.242 3.928 4.170 0.000 0.000 0.245 99 I C 2.278 178.403 176.117 0.013 0.000 1.100 99 I CA 1.279 62.587 61.300 0.013 0.000 1.374 99 I CB -0.358 37.652 38.000 0.016 0.000 1.057 99 I HN 0.289 nan 8.210 nan 0.000 0.413 100 I N 0.302 120.881 120.570 0.014 0.000 2.252 100 I HA -0.245 3.926 4.170 0.000 0.000 0.245 100 I C 2.554 178.677 176.117 0.011 0.000 1.102 100 I CA 1.412 62.720 61.300 0.014 0.000 1.385 100 I CB -0.528 37.482 38.000 0.015 0.000 1.064 100 I HN 0.221 nan 8.210 nan 0.000 0.414 101 T N 0.206 114.766 114.554 0.010 0.000 2.674 101 T HA -0.153 4.197 4.350 0.000 0.000 0.265 101 T C 1.812 176.516 174.700 0.007 0.000 1.039 101 T CA 1.283 63.388 62.100 0.008 0.000 1.150 101 T CB -0.143 68.729 68.868 0.007 0.000 0.864 101 T HN 0.283 nan 8.240 nan 0.000 0.427 102 E N 0.561 120.765 120.200 0.007 0.000 2.158 102 E HA 0.047 4.397 4.350 0.000 0.000 0.191 102 E C 2.522 179.126 176.600 0.007 0.000 0.982 102 E CA 0.759 57.163 56.400 0.006 0.000 0.823 102 E CB -0.713 28.990 29.700 0.006 0.000 0.766 102 E HN 0.549 nan 8.360 nan 0.000 0.468 103 G N 1.769 110.573 108.800 0.008 0.000 2.433 103 G HA2 -0.228 3.732 3.960 0.000 0.000 0.216 103 G HA3 -0.228 3.732 3.960 0.000 0.000 0.216 103 G C 1.715 176.620 174.900 0.008 0.000 1.186 103 G CA 0.563 45.668 45.100 0.008 0.000 0.779 103 G HN 0.179 nan 8.290 nan 0.000 0.543 104 L N 0.044 121.272 121.223 0.008 0.000 2.131 104 L HA -0.080 4.260 4.340 0.000 0.000 0.210 104 L C 2.932 179.805 176.870 0.005 0.000 1.092 104 L CA 1.165 56.009 54.840 0.007 0.000 0.759 104 L CB -0.335 41.727 42.059 0.006 0.000 0.903 104 L HN 0.227 nan 8.230 nan 0.000 0.435 105 K N 0.292 120.695 120.400 0.005 0.000 2.057 105 K HA -0.139 4.181 4.320 0.000 0.000 0.207 105 K C 2.301 178.903 176.600 0.004 0.000 1.049 105 K CA 1.421 57.710 56.287 0.004 0.000 0.931 105 K CB -0.267 32.235 32.500 0.004 0.000 0.714 105 K HN 0.282 nan 8.250 nan 0.000 0.440 106 A N 1.070 123.892 122.820 0.004 0.000 1.898 106 A HA -0.107 4.213 4.320 0.000 0.000 0.216 106 A C 2.397 179.984 177.584 0.005 0.000 1.181 106 A CA 1.267 53.307 52.037 0.004 0.000 0.620 106 A CB -0.664 18.339 19.000 0.005 0.000 0.819 106 A HN 0.062 nan 8.150 nan 0.000 0.442 107 V N -0.057 119.861 119.914 0.006 0.000 2.287 107 V HA -0.283 3.837 4.120 0.000 0.000 0.248 107 V C 3.025 179.122 176.094 0.005 0.000 1.053 107 V CA 2.070 64.374 62.300 0.006 0.000 1.027 107 V CB -1.139 30.689 31.823 0.008 0.000 0.646 107 V HN 0.610 nan 8.190 nan 0.000 0.447 108 A N -0.419 122.404 122.820 0.004 0.000 2.070 108 A HA 0.040 4.360 4.320 0.000 0.000 0.220 108 A C 2.169 179.754 177.584 0.002 0.000 1.159 108 A CA 1.565 53.603 52.037 0.003 0.000 0.656 108 A CB -0.492 18.509 19.000 0.001 0.000 0.800 108 A HN 0.600 nan 8.150 nan 0.000 0.453 109 A N -1.862 120.960 122.820 0.002 0.000 2.238 109 A HA 0.421 4.742 4.320 0.000 0.000 0.208 109 A C 1.687 179.272 177.584 0.002 0.000 1.177 109 A CA 1.148 53.186 52.037 0.002 0.000 0.804 109 A CB -0.742 18.259 19.000 0.002 0.000 0.823 109 A HN 1.781 nan 8.150 nan 0.000 0.482 110 G N -1.732 107.069 108.800 0.002 0.000 2.159 110 G HA2 -0.216 3.744 3.960 0.000 0.000 0.227 110 G HA3 -0.216 3.744 3.960 0.000 0.000 0.227 110 G C 0.167 175.068 174.900 0.003 0.000 0.986 110 G CA 0.189 45.291 45.100 0.002 0.000 0.651 110 G HN 0.364 nan 8.290 nan 0.000 0.523 111 M N 0.684 120.286 119.600 0.004 0.000 2.241 111 M HA 0.247 4.727 4.480 0.000 0.000 0.335 111 M C 0.737 177.040 176.300 0.005 0.000 1.122 111 M CA -0.525 54.777 55.300 0.004 0.000 1.164 111 M CB 0.452 33.054 32.600 0.004 0.000 1.459 111 M HN 0.166 nan 8.290 nan 0.000 0.461 112 N N 2.627 121.330 118.700 0.005 0.000 2.416 112 N HA 0.091 4.831 4.740 0.000 0.000 0.265 112 N C -2.148 173.366 175.510 0.007 0.000 1.195 112 N CA -1.330 51.724 53.050 0.006 0.000 0.943 112 N CB 1.064 39.554 38.487 0.005 0.000 1.115 112 N HN 0.270 nan 8.380 nan 0.000 0.481 113 P HA -0.165 nan 4.420 nan 0.000 0.216 113 P C 1.612 178.918 177.300 0.010 0.000 1.154 113 P CA 1.532 64.638 63.100 0.011 0.000 0.865 113 P CB 0.217 31.925 31.700 0.014 0.000 0.789 114 M N -1.287 118.319 119.600 0.010 0.000 2.175 114 M HA -0.112 4.369 4.480 0.000 0.000 0.264 114 M C 1.505 177.810 176.300 0.007 0.000 1.063 114 M CA 1.592 56.897 55.300 0.009 0.000 1.119 114 M CB -1.698 30.907 32.600 0.009 0.000 1.377 114 M HN -0.027 nan 8.290 nan 0.000 0.415 115 D N 0.399 120.803 120.400 0.006 0.000 2.091 115 D HA -0.072 4.568 4.640 0.000 0.000 0.199 115 D C 2.161 178.464 176.300 0.005 0.000 0.980 115 D CA 0.861 54.864 54.000 0.005 0.000 0.831 115 D CB -0.143 40.659 40.800 0.005 0.000 0.987 115 D HN 0.119 nan 8.370 nan 0.000 0.460 116 L N 1.459 122.686 121.223 0.006 0.000 2.051 116 L HA -0.195 4.145 4.340 0.000 0.000 0.214 116 L C 2.259 179.133 176.870 0.006 0.000 1.076 116 L CA 1.617 56.460 54.840 0.006 0.000 0.758 116 L CB -0.784 41.279 42.059 0.007 0.000 0.890 116 L HN 0.034 nan 8.230 nan 0.000 0.433 117 K N -0.741 119.664 120.400 0.007 0.000 2.097 117 K HA -0.204 4.116 4.320 0.000 0.000 0.205 117 K C 2.355 178.958 176.600 0.005 0.000 1.050 117 K CA 1.198 57.489 56.287 0.007 0.000 0.938 117 K CB -0.027 32.479 32.500 0.009 0.000 0.718 117 K HN 0.132 nan 8.250 nan 0.000 0.442 118 R N -0.100 120.403 120.500 0.004 0.000 2.073 118 R HA -0.106 4.234 4.340 0.000 0.000 0.234 118 R C 2.310 178.611 176.300 0.002 0.000 1.134 118 R CA 1.773 57.875 56.100 0.003 0.000 0.952 118 R CB -0.583 29.719 30.300 0.003 0.000 0.850 118 R HN 0.396 nan 8.270 nan 0.000 0.433 119 G N 0.890 109.692 108.800 0.003 0.000 2.446 119 G HA2 -0.259 3.701 3.960 0.000 0.000 0.217 119 G HA3 -0.259 3.701 3.960 0.000 0.000 0.217 119 G C 1.456 176.358 174.900 0.003 0.000 1.168 119 G CA 0.997 46.099 45.100 0.003 0.000 0.771 119 G HN 0.276 nan 8.290 nan 0.000 0.551 120 I N 1.039 121.611 120.570 0.003 0.000 2.208 120 I HA -0.170 4.000 4.170 0.000 0.000 0.245 120 I C 2.281 178.398 176.117 0.000 0.000 1.097 120 I CA 1.336 62.638 61.300 0.003 0.000 1.363 120 I CB -0.181 37.822 38.000 0.006 0.000 1.051 120 I HN 0.065 nan 8.210 nan 0.000 0.413 121 D N 0.587 120.987 120.400 -0.001 0.000 2.144 121 D HA -0.195 4.445 4.640 0.000 0.000 0.199 121 D C 2.061 178.357 176.300 -0.006 0.000 0.984 121 D CA 1.097 55.094 54.000 -0.005 0.000 0.834 121 D CB -0.172 40.625 40.800 -0.004 0.000 0.955 121 D HN 0.298 nan 8.370 nan 0.000 0.465 122 K N 0.685 121.083 120.400 -0.003 0.000 2.001 122 K HA -0.072 4.248 4.320 0.000 0.000 0.208 122 K C 2.073 178.672 176.600 -0.003 0.000 1.048 122 K CA 1.219 57.504 56.287 -0.003 0.000 0.932 122 K CB -0.083 32.417 32.500 -0.001 0.000 0.715 122 K HN -0.000 nan 8.250 nan 0.000 0.437 123 A N 0.734 123.553 122.820 -0.001 0.000 1.948 123 A HA -0.151 4.169 4.320 0.000 0.000 0.220 123 A C 2.216 179.799 177.584 -0.002 0.000 1.177 123 A CA 1.910 53.947 52.037 0.000 0.000 0.636 123 A CB -0.721 18.281 19.000 0.002 0.000 0.815 123 A HN 0.216 nan 8.150 nan 0.000 0.449 124 V N -0.604 119.307 119.914 -0.005 0.000 2.515 124 V HA -0.179 3.941 4.120 0.000 0.000 0.250 124 V C 2.675 178.761 176.094 -0.013 0.000 1.058 124 V CA 2.285 64.579 62.300 -0.010 0.000 1.064 124 V CB -1.093 30.722 31.823 -0.015 0.000 0.675 124 V HN 0.616 nan 8.190 nan 0.000 0.461 125 T N 0.197 114.743 114.554 -0.012 0.000 2.737 125 T HA -0.147 4.203 4.350 0.000 0.000 0.265 125 T C 1.975 176.670 174.700 -0.008 0.000 1.038 125 T CA 1.724 63.816 62.100 -0.013 0.000 1.144 125 T CB -0.183 68.678 68.868 -0.011 0.000 0.866 125 T HN 0.295 nan 8.240 nan 0.000 0.434 126 V N 1.884 121.796 119.914 -0.004 0.000 2.295 126 V HA -0.147 3.973 4.120 0.000 0.000 0.246 126 V C 2.927 179.021 176.094 -0.000 0.000 1.049 126 V CA 1.637 63.936 62.300 -0.001 0.000 1.024 126 V CB -1.324 30.500 31.823 0.001 0.000 0.648 126 V HN 0.518 nan 8.190 nan 0.000 0.447 127 A N -0.009 122.811 122.820 -0.000 0.000 1.908 127 A HA -0.186 4.134 4.320 0.000 0.000 0.218 127 A C 2.386 179.970 177.584 0.000 0.000 1.181 127 A CA 2.226 54.264 52.037 0.002 0.000 0.627 127 A CB -0.775 18.227 19.000 0.003 0.000 0.818 127 A HN 0.356 nan 8.150 nan 0.000 0.445 128 V N 0.057 119.968 119.914 -0.005 0.000 2.490 128 V HA -0.263 3.857 4.120 0.000 0.000 0.250 128 V C 2.346 178.438 176.094 -0.003 0.000 1.061 128 V CA 2.230 64.525 62.300 -0.008 0.000 1.064 128 V CB -0.859 30.953 31.823 -0.017 0.000 0.670 128 V HN 0.653 nan 8.190 nan 0.000 0.461 129 E N -0.359 119.840 120.200 -0.002 0.000 2.072 129 E HA -0.189 4.161 4.350 0.000 0.000 0.191 129 E C 2.330 178.933 176.600 0.004 0.000 0.985 129 E CA 1.107 57.507 56.400 0.000 0.000 0.801 129 E CB -0.125 29.575 29.700 0.001 0.000 0.750 129 E HN 0.564 nan 8.360 nan 0.000 0.452 130 E N 0.820 121.023 120.200 0.005 0.000 2.077 130 E HA -0.169 4.181 4.350 0.000 0.000 0.193 130 E C 2.292 178.899 176.600 0.011 0.000 0.989 130 E CA 0.758 57.163 56.400 0.009 0.000 0.800 130 E CB -0.184 29.523 29.700 0.011 0.000 0.746 130 E HN 0.318 nan 8.360 nan 0.000 0.452 131 L N 0.595 121.823 121.223 0.009 0.000 2.046 131 L HA -0.185 4.155 4.340 0.000 0.000 0.208 131 L C 2.646 179.522 176.870 0.011 0.000 1.077 131 L CA 1.185 56.031 54.840 0.011 0.000 0.747 131 L CB -0.315 41.749 42.059 0.009 0.000 0.896 131 L HN 0.065 nan 8.230 nan 0.000 0.432 132 K N -0.107 120.297 120.400 0.008 0.000 2.097 132 K HA -0.174 4.146 4.320 0.000 0.000 0.206 132 K C 2.105 178.711 176.600 0.009 0.000 1.049 132 K CA 1.341 57.632 56.287 0.007 0.000 0.933 132 K CB -0.071 32.432 32.500 0.005 0.000 0.717 132 K HN 0.307 nan 8.250 nan 0.000 0.442 133 A N 0.494 123.320 122.820 0.010 0.000 1.929 133 A HA -0.091 4.229 4.320 0.000 0.000 0.216 133 A C 1.958 179.550 177.584 0.014 0.000 1.176 133 A CA 0.934 52.978 52.037 0.011 0.000 0.628 133 A CB -0.402 18.605 19.000 0.011 0.000 0.816 133 A HN 0.321 nan 8.150 nan 0.000 0.444 134 L N -0.142 121.091 121.223 0.016 0.000 2.291 134 L HA 0.061 4.401 4.340 0.000 0.000 0.214 134 L C 1.460 178.342 176.870 0.019 0.000 1.120 134 L CA 0.846 55.698 54.840 0.020 0.000 0.799 134 L CB -0.291 41.782 42.059 0.023 0.000 0.925 134 L HN 0.306 nan 8.230 nan 0.000 0.446 135 S N -1.178 114.532 115.700 0.016 0.000 2.573 135 S HA 0.209 4.680 4.470 0.000 0.000 0.277 135 S C -0.229 174.380 174.600 0.015 0.000 1.346 135 S CA -0.534 57.675 58.200 0.016 0.000 1.034 135 S CB 0.549 63.757 63.200 0.013 0.000 0.879 135 S HN 0.024 nan 8.310 nan 0.000 0.528 136 V N 7.056 126.979 119.914 0.015 0.000 2.444 136 V HA 0.448 4.568 4.120 0.000 0.000 0.294 136 V C -1.925 174.176 176.094 0.012 0.000 1.022 136 V CA -1.715 60.593 62.300 0.014 0.000 0.850 136 V CB 1.648 33.480 31.823 0.015 0.000 0.992 136 V HN 0.833 nan 8.190 nan 0.000 0.426 137 P HA 0.079 nan 4.420 nan 0.000 0.270 137 P C -0.498 176.807 177.300 0.010 0.000 1.223 137 P CA -0.110 62.996 63.100 0.010 0.000 0.785 137 P CB 0.986 32.692 31.700 0.009 0.000 0.923 138 C N 2.606 121.911 119.300 0.009 0.000 3.164 138 C HA 0.443 4.903 4.460 0.000 0.000 0.250 138 C C 1.265 176.259 174.990 0.007 0.000 1.151 138 C CA 0.320 59.343 59.018 0.008 0.000 1.449 138 C CB -1.188 26.558 27.740 0.009 0.000 1.825 138 C HN 0.663 nan 8.230 nan 0.000 0.478 139 S N 1.795 117.499 115.700 0.006 0.000 2.891 139 S HA 0.180 4.650 4.470 0.000 0.000 0.247 139 S C 0.272 174.874 174.600 0.004 0.000 1.063 139 S CA 0.291 58.495 58.200 0.006 0.000 0.857 139 S CB -0.522 62.681 63.200 0.006 0.000 0.800 139 S HN 0.857 nan 8.310 nan 0.000 0.540 140 D N 2.256 122.658 120.400 0.004 0.000 2.423 140 D HA 0.137 4.777 4.640 0.000 0.000 0.238 140 D C 0.399 176.700 176.300 0.002 0.000 1.142 140 D CA 0.118 54.119 54.000 0.003 0.000 0.884 140 D CB 0.938 41.740 40.800 0.003 0.000 1.199 140 D HN 0.177 nan 8.370 nan 0.000 0.438 141 S N 1.390 117.090 115.700 0.001 0.000 2.440 141 S HA -0.183 4.287 4.470 0.000 0.000 0.240 141 S C 1.511 176.110 174.600 -0.001 0.000 1.014 141 S CA 1.158 59.358 58.200 -0.001 0.000 0.980 141 S CB -0.094 63.105 63.200 -0.002 0.000 0.775 141 S HN 0.441 nan 8.310 nan 0.000 0.499 142 K N 2.009 122.409 120.400 0.000 0.000 2.025 142 K HA 0.174 4.494 4.320 0.000 0.000 0.207 142 K C 2.244 178.845 176.600 0.001 0.000 1.049 142 K CA 1.210 57.497 56.287 0.000 0.000 0.933 142 K CB -0.820 31.680 32.500 0.001 0.000 0.714 142 K HN 0.298 nan 8.250 nan 0.000 0.438 143 A N 0.929 123.750 122.820 0.002 0.000 1.873 143 A HA -0.115 4.205 4.320 0.000 0.000 0.215 143 A C 2.235 179.820 177.584 0.002 0.000 1.186 143 A CA 1.406 53.445 52.037 0.003 0.000 0.616 143 A CB -0.748 18.254 19.000 0.004 0.000 0.823 143 A HN 0.204 nan 8.150 nan 0.000 0.442 144 I N -0.146 120.424 120.570 0.001 0.000 2.194 144 I HA -0.357 3.813 4.170 0.000 0.000 0.246 144 I C 2.964 179.079 176.117 -0.003 0.000 1.093 144 I CA 1.308 62.608 61.300 -0.000 0.000 1.355 144 I CB -0.385 37.614 38.000 -0.001 0.000 1.046 144 I HN 0.394 nan 8.210 nan 0.000 0.413 145 A N 0.058 122.876 122.820 -0.003 0.000 1.898 145 A HA -0.230 4.090 4.320 0.000 0.000 0.216 145 A C 2.247 179.828 177.584 -0.004 0.000 1.181 145 A CA 1.372 53.406 52.037 -0.005 0.000 0.620 145 A CB -0.586 18.411 19.000 -0.005 0.000 0.819 145 A HN 0.465 nan 8.150 nan 0.000 0.442 146 Q N -0.396 119.403 119.800 -0.002 0.000 2.061 146 Q HA -0.145 4.195 4.340 0.000 0.000 0.204 146 Q C 2.157 178.156 176.000 -0.001 0.000 0.984 146 Q CA 1.822 57.624 55.803 -0.002 0.000 0.846 146 Q CB -0.417 28.321 28.738 0.000 0.000 0.902 146 Q HN 0.505 nan 8.270 nan 0.000 0.421 147 V N 0.429 120.343 119.914 -0.000 0.000 2.358 147 V HA -0.195 3.925 4.120 0.000 0.000 0.246 147 V C 2.250 178.343 176.094 -0.002 0.000 1.047 147 V CA 1.931 64.232 62.300 0.001 0.000 1.035 147 V CB -1.235 30.591 31.823 0.004 0.000 0.658 147 V HN 0.532 nan 8.190 nan 0.000 0.452 148 G N 0.410 109.207 108.800 -0.005 0.000 2.446 148 G HA2 -0.332 3.629 3.960 0.000 0.000 0.217 148 G HA3 -0.332 3.629 3.960 0.000 0.000 0.217 148 G C 1.843 176.736 174.900 -0.011 0.000 1.168 148 G CA 1.908 47.002 45.100 -0.010 0.000 0.771 148 G HN 0.566 nan 8.290 nan 0.000 0.551 149 T N -0.364 114.185 114.554 -0.009 0.000 2.777 149 T HA 0.008 4.359 4.350 0.000 0.000 0.266 149 T C 2.409 177.104 174.700 -0.008 0.000 1.040 149 T CA 1.104 63.198 62.100 -0.009 0.000 1.141 149 T CB -0.308 68.555 68.868 -0.008 0.000 0.868 149 T HN 0.242 nan 8.240 nan 0.000 0.444 150 I N 1.648 122.215 120.570 -0.006 0.000 2.151 150 I HA -0.196 3.974 4.170 0.000 0.000 0.243 150 I C 2.911 179.025 176.117 -0.005 0.000 1.080 150 I CA 1.617 62.914 61.300 -0.005 0.000 1.339 150 I CB -0.503 37.495 38.000 -0.003 0.000 1.039 150 I HN 0.330 nan 8.210 nan 0.000 0.409 151 S N 0.675 116.373 115.700 -0.003 0.000 2.402 151 S HA -0.031 4.439 4.470 0.000 0.000 0.229 151 S C 1.721 176.318 174.600 -0.005 0.000 1.021 151 S CA 1.067 59.266 58.200 -0.002 0.000 0.974 151 S CB -0.209 62.991 63.200 0.000 0.000 0.800 151 S HN 0.518 nan 8.310 nan 0.000 0.484 152 A N 1.574 124.388 122.820 -0.009 0.000 2.503 152 A HA 0.284 4.604 4.320 0.000 0.000 0.263 152 A C 0.649 178.227 177.584 -0.010 0.000 1.360 152 A CA -0.327 51.703 52.037 -0.012 0.000 0.969 152 A CB -0.682 18.309 19.000 -0.015 0.000 1.000 152 A HN 0.375 nan 8.150 nan 0.000 0.530 153 N N 0.150 118.845 118.700 -0.009 0.000 2.738 153 N HA -0.194 4.546 4.740 0.000 0.000 0.249 153 N C 0.060 175.564 175.510 -0.010 0.000 1.047 153 N CA 1.130 54.175 53.050 -0.009 0.000 0.707 153 N CB -1.569 36.913 38.487 -0.009 0.000 0.937 153 N HN 0.590 nan 8.380 nan 0.000 0.545 154 S N -1.180 114.515 115.700 -0.010 0.000 3.748 154 S HA -0.210 4.260 4.470 0.000 0.000 0.329 154 S C -0.372 174.223 174.600 -0.009 0.000 1.104 154 S CA 0.870 59.065 58.200 -0.009 0.000 0.954 154 S CB -0.817 62.377 63.200 -0.010 0.000 0.910 154 S HN 0.678 nan 8.310 nan 0.000 0.494 155 D N 1.397 121.791 120.400 -0.010 0.000 2.411 155 D HA 0.347 4.987 4.640 0.000 0.000 0.225 155 D C 1.174 177.468 176.300 -0.010 0.000 1.156 155 D CA -0.351 53.643 54.000 -0.010 0.000 0.874 155 D CB 0.884 41.678 40.800 -0.011 0.000 1.034 155 D HN 0.552 nan 8.370 nan 0.000 0.502 156 E N 1.594 121.789 120.200 -0.009 0.000 2.171 156 E HA -0.226 4.124 4.350 0.000 0.000 0.197 156 E C 1.182 177.776 176.600 -0.009 0.000 0.997 156 E CA 1.738 58.133 56.400 -0.008 0.000 0.810 156 E CB -0.370 29.326 29.700 -0.007 0.000 0.738 156 E HN 0.333 nan 8.360 nan 0.000 0.467 157 T N 0.240 114.788 114.554 -0.010 0.000 2.777 157 T HA -0.094 4.256 4.350 0.000 0.000 0.266 157 T C 1.972 176.664 174.700 -0.014 0.000 1.040 157 T CA 1.344 63.437 62.100 -0.011 0.000 1.141 157 T CB -0.400 68.461 68.868 -0.011 0.000 0.868 157 T HN 0.069 nan 8.240 nan 0.000 0.444 158 V N 1.594 121.498 119.914 -0.016 0.000 2.343 158 V HA -0.086 4.034 4.120 0.000 0.000 0.247 158 V C 2.913 178.995 176.094 -0.020 0.000 1.051 158 V CA 1.949 64.237 62.300 -0.020 0.000 1.036 158 V CB -1.410 30.400 31.823 -0.022 0.000 0.654 158 V HN 0.603 nan 8.190 nan 0.000 0.451 159 G N -0.342 108.448 108.800 -0.016 0.000 2.440 159 G HA2 -0.277 3.683 3.960 0.000 0.000 0.218 159 G HA3 -0.277 3.683 3.960 0.000 0.000 0.218 159 G C 1.673 176.565 174.900 -0.013 0.000 1.154 159 G CA 1.032 46.124 45.100 -0.014 0.000 0.767 159 G HN 0.462 nan 8.290 nan 0.000 0.552 160 K N -0.218 120.174 120.400 -0.012 0.000 2.009 160 K HA 0.040 4.360 4.320 0.000 0.000 0.210 160 K C 2.537 179.129 176.600 -0.013 0.000 1.049 160 K CA 0.913 57.194 56.287 -0.011 0.000 0.929 160 K CB -0.350 32.144 32.500 -0.010 0.000 0.714 160 K HN 0.246 nan 8.250 nan 0.000 0.440 161 L N 0.882 122.095 121.223 -0.016 0.000 1.990 161 L HA -0.272 4.068 4.340 0.000 0.000 0.213 161 L C 2.306 179.163 176.870 -0.021 0.000 1.072 161 L CA 1.016 55.844 54.840 -0.019 0.000 0.755 161 L CB -0.559 41.486 42.059 -0.023 0.000 0.889 161 L HN 0.214 nan 8.230 nan 0.000 0.432 162 I N 0.207 120.762 120.570 -0.024 0.000 2.099 162 I HA -0.307 3.863 4.170 0.000 0.000 0.239 162 I C 2.883 178.989 176.117 -0.018 0.000 1.066 162 I CA 1.868 63.152 61.300 -0.026 0.000 1.324 162 I CB -1.817 36.166 38.000 -0.028 0.000 1.037 162 I HN 0.227 nan 8.210 nan 0.000 0.401 163 A N 0.440 123.251 122.820 -0.014 0.000 1.908 163 A HA -0.235 4.085 4.320 0.000 0.000 0.218 163 A C 2.280 179.858 177.584 -0.009 0.000 1.181 163 A CA 1.905 53.937 52.037 -0.010 0.000 0.627 163 A CB -0.721 18.274 19.000 -0.008 0.000 0.818 163 A HN 0.545 nan 8.150 nan 0.000 0.445 164 E N -0.424 119.769 120.200 -0.010 0.000 2.047 164 E HA -0.088 4.262 4.350 0.000 0.000 0.191 164 E C 2.391 178.985 176.600 -0.010 0.000 0.987 164 E CA 0.937 57.331 56.400 -0.010 0.000 0.799 164 E CB -0.306 29.388 29.700 -0.010 0.000 0.752 164 E HN 0.620 nan 8.360 nan 0.000 0.449 165 A N 1.095 123.907 122.820 -0.013 0.000 1.877 165 A HA -0.203 4.117 4.320 0.000 0.000 0.216 165 A C 2.160 179.738 177.584 -0.010 0.000 1.186 165 A CA 1.441 53.470 52.037 -0.013 0.000 0.620 165 A CB -0.485 18.504 19.000 -0.019 0.000 0.822 165 A HN 0.164 nan 8.150 nan 0.000 0.443 166 M N -0.851 118.743 119.600 -0.010 0.000 2.159 166 M HA -0.182 4.298 4.480 0.000 0.000 0.263 166 M C 1.881 178.179 176.300 -0.004 0.000 1.063 166 M CA 2.154 57.450 55.300 -0.006 0.000 1.110 166 M CB -0.265 32.331 32.600 -0.005 0.000 1.374 166 M HN 0.643 nan 8.290 nan 0.000 0.411 167 D N -0.103 120.294 120.400 -0.005 0.000 2.144 167 D HA -0.187 4.453 4.640 0.000 0.000 0.200 167 D C 1.849 178.147 176.300 -0.003 0.000 0.978 167 D CA 1.192 55.190 54.000 -0.004 0.000 0.833 167 D CB 0.067 40.865 40.800 -0.004 0.000 0.961 167 D HN 0.140 nan 8.370 nan 0.000 0.470 168 K N -0.875 119.522 120.400 -0.005 0.000 2.486 168 K HA 0.078 4.399 4.320 0.000 0.000 0.194 168 K C 0.701 177.299 176.600 -0.004 0.000 1.033 168 K CA 0.288 56.572 56.287 -0.004 0.000 1.004 168 K CB 0.464 32.961 32.500 -0.006 0.000 0.798 168 K HN 0.097 nan 8.250 nan 0.000 0.495 169 V N -0.736 119.176 119.914 -0.003 0.000 3.432 169 V HA 0.257 4.377 4.120 0.000 0.000 0.290 169 V C -0.490 175.604 176.094 -0.000 0.000 1.591 169 V CA 0.447 62.746 62.300 -0.002 0.000 1.069 169 V CB 0.850 32.672 31.823 -0.002 0.000 0.892 169 V HN 0.439 nan 8.190 nan 0.000 0.436 170 G N 1.027 109.826 108.800 -0.000 0.000 2.692 170 G HA2 -0.166 3.794 3.960 0.000 0.000 0.686 170 G HA3 -0.166 3.794 3.960 0.000 0.000 0.686 170 G C 0.060 174.961 174.900 0.002 0.000 1.243 170 G CA 0.073 45.174 45.100 0.001 0.000 0.782 170 G HN 0.258 nan 8.290 nan 0.000 0.625 171 K N 0.028 120.430 120.400 0.004 0.000 2.283 171 K HA -0.031 4.289 4.320 0.000 0.000 0.202 171 K C 1.232 177.837 176.600 0.009 0.000 1.048 171 K CA 1.428 57.718 56.287 0.005 0.000 0.948 171 K CB 0.094 32.597 32.500 0.006 0.000 0.742 171 K HN 0.500 nan 8.250 nan 0.000 0.458 172 E N 0.335 120.540 120.200 0.009 0.000 2.558 172 E HA 0.102 4.452 4.350 0.000 0.000 0.205 172 E C 0.458 177.065 176.600 0.011 0.000 1.006 172 E CA -0.075 56.332 56.400 0.012 0.000 0.961 172 E CB 0.908 30.616 29.700 0.012 0.000 1.044 172 E HN 0.202 nan 8.360 nan 0.000 0.465 173 G N 0.693 109.498 108.800 0.008 0.000 2.562 173 G HA2 0.269 4.229 3.960 0.000 0.000 0.275 173 G HA3 0.269 4.229 3.960 0.000 0.000 0.275 173 G C -0.313 174.591 174.900 0.008 0.000 1.196 173 G CA -0.456 44.648 45.100 0.008 0.000 0.908 173 G HN 0.089 nan 8.290 nan 0.000 0.524 174 V N 1.213 121.131 119.914 0.007 0.000 2.432 174 V HA 0.584 4.704 4.120 0.000 0.000 0.271 174 V C -0.249 175.844 176.094 -0.001 0.000 1.046 174 V CA -0.483 61.820 62.300 0.005 0.000 0.945 174 V CB 0.003 31.829 31.823 0.004 0.000 0.992 174 V HN 0.434 nan 8.190 nan 0.000 0.471 175 I N 6.607 127.175 120.570 -0.004 0.000 2.498 175 I HA 0.524 4.695 4.170 0.000 0.000 0.290 175 I C 0.159 176.265 176.117 -0.018 0.000 1.032 175 I CA -0.400 60.892 61.300 -0.014 0.000 1.073 175 I CB 2.438 40.425 38.000 -0.022 0.000 1.251 175 I HN 0.754 nan 8.210 nan 0.000 0.426 176 T N 2.543 117.084 114.554 -0.021 0.000 2.942 176 T HA 0.793 5.143 4.350 0.000 0.000 0.289 176 T C -0.664 174.017 174.700 -0.031 0.000 1.044 176 T CA -0.776 61.311 62.100 -0.022 0.000 1.023 176 T CB 2.138 70.996 68.868 -0.016 0.000 1.123 176 T HN 0.201 nan 8.240 nan 0.000 0.512 177 V N 1.496 121.390 119.914 -0.033 0.000 2.540 177 V HA 0.592 4.712 4.120 0.000 0.000 0.302 177 V C -0.353 175.727 176.094 -0.023 0.000 1.035 177 V CA -0.698 61.581 62.300 -0.035 0.000 0.873 177 V CB 1.437 33.229 31.823 -0.051 0.000 0.992 177 V HN 1.019 nan 8.190 nan 0.000 0.428 178 E N 1.609 121.797 120.200 -0.021 0.000 2.423 178 E HA 0.426 4.776 4.350 0.000 0.000 0.269 178 E C -1.515 175.076 176.600 -0.015 0.000 0.948 178 E CA -1.080 55.310 56.400 -0.016 0.000 0.802 178 E CB 1.768 31.459 29.700 -0.015 0.000 1.339 178 E HN 0.577 nan 8.360 nan 0.000 0.445 179 D N 0.723 121.115 120.400 -0.013 0.000 2.414 179 D HA 0.197 4.837 4.640 0.000 0.000 0.242 179 D C 0.053 176.347 176.300 -0.011 0.000 1.129 179 D CA 0.283 54.276 54.000 -0.011 0.000 0.885 179 D CB 1.073 41.868 40.800 -0.009 0.000 1.198 179 D HN 0.483 nan 8.370 nan 0.000 0.437 180 G N -0.313 108.480 108.800 -0.011 0.000 2.537 180 G HA2 0.293 4.253 3.960 0.000 0.000 0.273 180 G HA3 0.293 4.253 3.960 0.000 0.000 0.273 180 G C 0.913 175.808 174.900 -0.009 0.000 1.189 180 G CA -0.376 44.717 45.100 -0.010 0.000 0.881 180 G HN 0.442 nan 8.290 nan 0.000 0.535 181 T N -2.400 112.149 114.554 -0.009 0.000 3.086 181 T HA 0.491 4.841 4.350 0.000 0.000 0.250 181 T C 1.092 175.788 174.700 -0.007 0.000 1.074 181 T CA 0.677 62.772 62.100 -0.008 0.000 0.988 181 T CB 0.318 69.181 68.868 -0.008 0.000 0.988 181 T HN 1.183 nan 8.240 nan 0.000 0.530 182 G N 0.776 109.572 108.800 -0.007 0.000 2.619 182 G HA2 0.399 4.359 3.960 0.000 0.000 0.146 182 G HA3 0.399 4.359 3.960 0.000 0.000 0.146 182 G C -0.196 174.700 174.900 -0.006 0.000 1.192 182 G CA -0.124 44.972 45.100 -0.006 0.000 1.063 182 G HN 0.125 nan 8.290 nan 0.000 0.538 183 L N 0.025 121.245 121.223 -0.006 0.000 2.102 183 L HA 0.402 4.742 4.340 0.000 0.000 0.202 183 L C 1.057 177.923 176.870 -0.007 0.000 1.076 183 L CA 1.191 56.027 54.840 -0.006 0.000 0.761 183 L CB -0.379 41.677 42.059 -0.005 0.000 0.921 183 L HN 0.353 nan 8.230 nan 0.000 0.444 184 Q N 1.544 121.340 119.800 -0.007 0.000 2.352 184 Q HA 0.099 4.439 4.340 0.000 0.000 0.260 184 Q C -0.759 175.236 176.000 -0.009 0.000 0.976 184 Q CA 0.041 55.839 55.803 -0.008 0.000 0.881 184 Q CB 0.494 29.228 28.738 -0.007 0.000 1.235 184 Q HN 0.311 nan 8.270 nan 0.000 0.419 185 D N 1.707 122.102 120.400 -0.010 0.000 2.313 185 D HA 0.196 4.836 4.640 0.000 0.000 0.247 185 D C -0.104 176.190 176.300 -0.011 0.000 1.094 185 D CA 0.024 54.018 54.000 -0.011 0.000 0.925 185 D CB 1.091 41.883 40.800 -0.013 0.000 1.188 185 D HN 0.256 nan 8.370 nan 0.000 0.430 186 E N 0.594 120.787 120.200 -0.012 0.000 2.312 186 E HA 0.561 4.911 4.350 0.000 0.000 0.267 186 E C -0.976 175.616 176.600 -0.012 0.000 0.894 186 E CA -0.951 55.442 56.400 -0.011 0.000 0.773 186 E CB 2.727 32.421 29.700 -0.011 0.000 1.241 186 E HN 0.156 nan 8.360 nan 0.000 0.432 187 L N 2.398 123.614 121.223 -0.011 0.000 2.516 187 L HA 0.449 4.789 4.340 0.000 0.000 0.267 187 L C -2.064 174.800 176.870 -0.010 0.000 0.957 187 L CA -0.327 54.506 54.840 -0.012 0.000 0.860 187 L CB 1.537 43.589 42.059 -0.012 0.000 1.265 187 L HN 0.482 nan 8.230 nan 0.000 0.403 188 D N 4.377 124.771 120.400 -0.011 0.000 2.970 188 D HA 0.305 4.945 4.640 0.000 0.000 0.230 188 D C -0.880 175.415 176.300 -0.009 0.000 1.276 188 D CA -0.391 53.603 54.000 -0.009 0.000 0.910 188 D CB 1.939 42.734 40.800 -0.009 0.000 1.590 188 D HN 0.302 nan 8.370 nan 0.000 0.551 189 V N 1.360 121.269 119.914 -0.007 0.000 2.637 189 V HA 0.347 4.467 4.120 0.000 0.000 0.296 189 V C 0.497 176.588 176.094 -0.005 0.000 1.046 189 V CA -0.403 61.894 62.300 -0.006 0.000 1.066 189 V CB 1.286 33.107 31.823 -0.004 0.000 0.968 189 V HN 0.562 nan 8.190 nan 0.000 0.483 190 V N 3.475 123.387 119.914 -0.005 0.000 3.040 190 V HA 0.519 4.639 4.120 0.000 0.000 0.312 190 V C -0.312 175.781 176.094 -0.001 0.000 1.115 190 V CA -0.880 61.417 62.300 -0.005 0.000 0.998 190 V CB 2.380 34.199 31.823 -0.007 0.000 1.042 190 V HN 0.976 nan 8.190 nan 0.000 0.433 191 E N 2.180 122.380 120.200 -0.001 0.000 2.406 191 E HA 0.513 4.864 4.350 0.000 0.000 0.258 191 E C 0.114 176.717 176.600 0.006 0.000 1.043 191 E CA 1.345 57.747 56.400 0.003 0.000 0.929 191 E CB 0.377 30.079 29.700 0.003 0.000 0.969 191 E HN 1.016 nan 8.360 nan 0.000 0.462 192 G N 2.779 111.587 108.800 0.012 0.000 2.606 192 G HA2 0.607 4.567 3.960 0.000 0.000 0.300 192 G HA3 0.607 4.567 3.960 0.000 0.000 0.300 192 G C -1.392 173.527 174.900 0.032 0.000 1.360 192 G CA -0.598 44.513 45.100 0.018 0.000 0.783 192 G HN 0.514 nan 8.290 nan 0.000 0.484 193 M N -0.398 119.228 119.600 0.044 0.000 2.790 193 M HA 0.602 5.082 4.480 0.000 0.000 0.272 193 M C -2.440 173.903 176.300 0.072 0.000 1.168 193 M CA -0.656 54.688 55.300 0.073 0.000 0.829 193 M CB 2.381 35.050 32.600 0.114 0.000 1.675 193 M HN 0.753 nan 8.290 nan 0.000 0.505 194 Q N 3.040 122.894 119.800 0.090 0.000 2.284 194 Q HA 0.636 4.976 4.340 0.000 0.000 0.269 194 Q C -2.298 173.772 176.000 0.118 0.000 1.026 194 Q CA -0.651 55.160 55.803 0.013 0.000 0.831 194 Q CB 2.108 30.828 28.738 -0.029 0.000 1.322 194 Q HN 0.598 nan 8.270 nan 0.000 0.419 195 F N 0.019 119.966 119.950 -0.005 0.000 2.588 195 F HA 0.539 5.066 4.527 0.000 0.000 0.314 195 F C -0.574 175.222 175.800 -0.008 0.000 1.069 195 F CA -1.174 56.823 58.000 -0.005 0.000 0.931 195 F CB 1.237 40.236 39.000 -0.002 0.000 1.260 195 F HN 0.300 nan 8.300 nan 0.000 0.465 196 D N 3.683 124.190 120.400 0.178 0.000 2.545 196 D HA 0.164 4.804 4.640 0.000 0.000 0.227 196 D C -0.301 176.069 176.300 0.117 0.000 1.150 196 D CA 0.297 54.343 54.000 0.077 0.000 1.046 196 D CB 0.008 40.848 40.800 0.067 0.000 1.098 196 D HN 0.329 nan 8.370 nan 0.000 0.502 197 R N 0.743 121.273 120.500 0.050 0.000 2.510 197 R HA 0.424 4.764 4.340 0.000 0.000 0.287 197 R C 0.194 176.450 176.300 -0.074 0.000 1.084 197 R CA -0.657 55.494 56.100 0.084 0.000 0.934 197 R CB 1.988 32.497 30.300 0.348 0.000 1.201 197 R HN 0.263 nan 8.270 nan 0.000 0.431 198 G N 1.294 110.032 108.800 -0.103 0.000 2.557 198 G HA2 0.420 4.380 3.960 0.000 0.000 0.302 198 G HA3 0.420 4.380 3.960 0.000 0.000 0.302 198 G C -0.567 174.252 174.900 -0.135 0.000 1.311 198 G CA -0.489 44.457 45.100 -0.257 0.000 1.030 198 G HN 0.428 nan 8.290 nan 0.000 0.509 199 Y N -0.852 119.491 120.300 0.071 0.000 2.497 199 Y HA 0.325 4.876 4.550 0.000 0.000 0.334 199 Y C 1.348 177.370 175.900 0.203 0.000 1.199 199 Y CA -1.116 57.074 58.100 0.150 0.000 1.425 199 Y CB 0.260 38.857 38.460 0.228 0.000 1.291 199 Y HN 0.214 nan 8.280 nan 0.000 0.562 200 L N 1.278 122.801 121.223 0.502 0.000 2.109 200 L HA -0.051 4.289 4.340 0.000 0.000 0.207 200 L C 1.126 178.201 176.870 0.342 0.000 1.086 200 L CA 1.477 56.542 54.840 0.375 0.000 0.760 200 L CB -0.192 42.067 42.059 0.333 0.000 0.910 200 L HN 0.740 nan 8.230 nan 0.000 0.437 201 S N -1.494 114.426 115.700 0.366 0.000 2.502 201 S HA 0.362 4.832 4.470 0.000 0.000 0.304 201 S C -2.016 172.531 174.600 -0.088 0.000 1.097 201 S CA -1.514 56.671 58.200 -0.024 0.000 1.045 201 S CB 1.678 64.545 63.200 -0.555 0.000 1.019 201 S HN -0.199 nan 8.310 nan 0.000 0.481 202 P HA -0.026 nan 4.420 nan 0.000 0.222 202 P C 0.153 177.249 177.300 -0.340 0.000 1.147 202 P CA 0.847 63.764 63.100 -0.305 0.000 0.790 202 P CB -0.050 31.638 31.700 -0.020 0.000 0.780 203 Y N -2.779 117.281 120.300 -0.401 0.000 2.619 203 Y HA 0.021 4.572 4.550 0.000 0.000 0.308 203 Y C 1.382 177.088 175.900 -0.323 0.000 1.192 203 Y CA 0.295 58.186 58.100 -0.349 0.000 1.319 203 Y CB -1.193 37.062 38.460 -0.342 0.000 1.030 203 Y HN -0.029 nan 8.280 nan 0.000 0.517 204 F N -0.692 119.172 119.950 -0.144 0.000 2.776 204 F HA 0.120 4.647 4.527 0.000 0.000 0.300 204 F C 0.960 176.655 175.800 -0.173 0.000 1.116 204 F CA -0.788 57.137 58.000 -0.125 0.000 1.375 204 F CB -0.172 38.775 39.000 -0.089 0.000 1.109 204 F HN -0.185 nan 8.300 nan 0.000 0.585 205 I N 1.439 121.933 120.570 -0.127 0.000 2.826 205 I HA -0.164 4.006 4.170 0.000 0.000 0.295 205 I C 0.799 176.893 176.117 -0.038 0.000 1.213 205 I CA 0.444 61.673 61.300 -0.118 0.000 1.436 205 I CB -0.586 37.304 38.000 -0.184 0.000 1.348 205 I HN 0.129 nan 8.210 nan 0.000 0.570 206 N N 4.646 123.343 118.700 -0.006 0.000 2.681 206 N HA 0.188 4.928 4.740 0.000 0.000 0.311 206 N C 0.958 176.459 175.510 -0.016 0.000 1.303 206 N CA -0.509 52.541 53.050 0.000 0.000 0.926 206 N CB 0.679 39.175 38.487 0.015 0.000 1.136 206 N HN 0.209 nan 8.380 nan 0.000 0.592 207 K N 0.317 120.710 120.400 -0.012 0.000 2.107 207 K HA -0.080 4.240 4.320 0.000 0.000 0.211 207 K C -1.635 174.953 176.600 -0.021 0.000 1.049 207 K CA 1.250 57.525 56.287 -0.020 0.000 0.927 207 K CB -1.318 31.175 32.500 -0.012 0.000 0.714 207 K HN 0.569 nan 8.250 nan 0.000 0.452 208 P HA -0.041 nan 4.420 nan 0.000 0.258 208 P C -0.719 176.574 177.300 -0.012 0.000 1.214 208 P CA 0.409 63.507 63.100 -0.004 0.000 0.872 208 P CB 0.923 32.630 31.700 0.011 0.000 0.890 209 E N 1.293 121.479 120.200 -0.022 0.000 2.331 209 E HA -0.140 4.210 4.350 0.000 0.000 0.199 209 E C 1.611 178.198 176.600 -0.021 0.000 1.008 209 E CA 1.513 57.893 56.400 -0.034 0.000 0.843 209 E CB -0.856 28.820 29.700 -0.040 0.000 0.761 209 E HN 0.546 nan 8.360 nan 0.000 0.507 210 T N -2.277 112.275 114.554 -0.003 0.000 3.219 210 T HA 0.095 4.445 4.350 0.000 0.000 0.264 210 T C 1.473 176.183 174.700 0.017 0.000 1.178 210 T CA 0.386 62.490 62.100 0.007 0.000 1.057 210 T CB -0.402 68.478 68.868 0.021 0.000 0.919 210 T HN 0.302 nan 8.240 nan 0.000 0.545 211 G N 0.150 108.962 108.800 0.021 0.000 2.182 211 G HA2 0.127 4.087 3.960 0.000 0.000 0.248 211 G HA3 0.127 4.087 3.960 0.000 0.000 0.248 211 G C 0.070 175.059 174.900 0.147 0.000 1.042 211 G CA -0.193 44.943 45.100 0.060 0.000 0.775 211 G HN 1.188 nan 8.290 nan 0.000 0.501 212 A N -1.739 121.146 122.820 0.108 0.000 2.483 212 A HA 1.039 5.359 4.320 0.000 0.000 0.286 212 A C -0.312 177.337 177.584 0.108 0.000 1.207 212 A CA -0.167 51.956 52.037 0.143 0.000 0.764 212 A CB 2.309 21.354 19.000 0.075 0.000 1.341 212 A HN 1.854 nan 8.150 nan 0.000 0.428 213 V N 0.172 120.151 119.914 0.108 0.000 2.569 213 V HA 0.678 4.798 4.120 0.000 0.000 0.301 213 V C -1.458 174.657 176.094 0.035 0.000 1.044 213 V CA -0.304 62.037 62.300 0.069 0.000 0.874 213 V CB 1.481 33.359 31.823 0.092 0.000 1.002 213 V HN 0.927 nan 8.190 nan 0.000 0.424 214 E N 5.397 125.608 120.200 0.018 0.000 2.179 214 E HA 0.723 5.073 4.350 0.000 0.000 0.275 214 E C -1.136 175.463 176.600 -0.003 0.000 0.945 214 E CA -0.247 56.155 56.400 0.004 0.000 0.792 214 E CB 1.949 31.650 29.700 0.001 0.000 1.125 214 E HN 0.756 nan 8.360 nan 0.000 0.397 215 L N 2.891 124.107 121.223 -0.012 0.000 2.406 215 L HA 0.408 4.748 4.340 0.000 0.000 0.270 215 L C -0.635 176.220 176.870 -0.025 0.000 0.982 215 L CA -0.888 53.943 54.840 -0.016 0.000 0.843 215 L CB 1.740 43.787 42.059 -0.019 0.000 1.225 215 L HN 0.376 nan 8.230 nan 0.000 0.412 216 E N 1.462 121.647 120.200 -0.026 0.000 2.259 216 E HA 0.248 4.599 4.350 0.000 0.000 0.281 216 E C 0.193 176.758 176.600 -0.058 0.000 1.037 216 E CA 0.156 56.534 56.400 -0.037 0.000 0.854 216 E CB 0.931 30.614 29.700 -0.029 0.000 1.051 216 E HN 0.523 nan 8.360 nan 0.000 0.409 217 S N 2.694 118.347 115.700 -0.079 0.000 3.550 217 S HA -0.139 4.331 4.470 0.000 0.000 0.372 217 S C -2.216 172.275 174.600 -0.181 0.000 0.966 217 S CA 0.468 58.588 58.200 -0.134 0.000 1.229 217 S CB -1.538 61.578 63.200 -0.139 0.000 0.917 217 S HN 0.483 nan 8.310 nan 0.000 0.496 218 P HA 0.422 nan 4.420 nan 0.000 0.276 218 P C -0.303 176.926 177.300 -0.119 0.000 1.244 218 P CA -0.505 62.544 63.100 -0.085 0.000 0.801 218 P CB 0.485 32.171 31.700 -0.024 0.000 1.006 219 F N 1.288 121.236 119.950 -0.003 0.000 2.391 219 F HA 0.248 4.775 4.527 0.000 0.000 0.359 219 F C 0.694 176.494 175.800 0.000 0.000 1.122 219 F CA -0.579 57.421 58.000 -0.000 0.000 1.120 219 F CB 0.397 39.397 39.000 -0.000 0.000 1.142 219 F HN 0.049 nan 8.300 nan 0.000 0.483 220 I N 5.865 126.568 120.570 0.222 0.000 2.352 220 I HA 0.143 4.313 4.170 0.000 0.000 0.290 220 I C -0.336 175.850 176.117 0.116 0.000 1.036 220 I CA -0.784 60.595 61.300 0.133 0.000 1.336 220 I CB 0.830 38.891 38.000 0.101 0.000 1.407 220 I HN 0.304 nan 8.210 nan 0.000 0.497 221 L N 8.604 129.873 121.223 0.077 0.000 2.276 221 L HA 0.480 4.821 4.340 0.000 0.000 0.286 221 L C -0.918 175.972 176.870 0.035 0.000 1.024 221 L CA -0.279 54.587 54.840 0.043 0.000 0.826 221 L CB 0.907 42.980 42.059 0.024 0.000 1.211 221 L HN 0.353 nan 8.230 nan 0.000 0.422 222 L N 6.224 127.462 121.223 0.025 0.000 2.262 222 L HA 0.819 5.159 4.340 0.000 0.000 0.288 222 L C 0.010 176.883 176.870 0.005 0.000 1.035 222 L CA -0.058 54.790 54.840 0.013 0.000 0.820 222 L CB 1.314 43.377 42.059 0.006 0.000 1.204 222 L HN 0.768 nan 8.230 nan 0.000 0.424 223 A N 1.630 124.453 122.820 0.005 0.000 2.385 223 A HA 0.528 4.849 4.320 0.000 0.000 0.290 223 A C 0.065 177.651 177.584 0.003 0.000 1.094 223 A CA -0.623 51.417 52.037 0.004 0.000 0.729 223 A CB 0.727 19.731 19.000 0.007 0.000 1.194 223 A HN 0.723 nan 8.150 nan 0.000 0.442 224 D N 2.070 122.470 120.400 -0.001 0.000 2.324 224 D HA -0.017 4.623 4.640 0.000 0.000 0.235 224 D C 0.447 176.752 176.300 0.009 0.000 1.095 224 D CA 0.295 54.295 54.000 -0.000 0.000 0.871 224 D CB 0.186 40.982 40.800 -0.007 0.000 0.906 224 D HN 0.526 nan 8.370 nan 0.000 0.522 225 K N 0.698 121.105 120.400 0.011 0.000 2.098 225 K HA 0.208 4.529 4.320 0.000 0.000 0.244 225 K C -0.338 176.274 176.600 0.020 0.000 1.014 225 K CA -0.688 55.608 56.287 0.014 0.000 0.917 225 K CB 0.901 33.408 32.500 0.011 0.000 1.072 225 K HN -0.229 nan 8.250 nan 0.000 0.477 226 K N 3.163 123.577 120.400 0.022 0.000 2.268 226 K HA 0.270 4.590 4.320 0.000 0.000 0.276 226 K C -0.551 176.064 176.600 0.026 0.000 1.080 226 K CA -0.593 55.710 56.287 0.027 0.000 0.910 226 K CB 0.690 33.206 32.500 0.026 0.000 1.163 226 K HN 0.412 nan 8.250 nan 0.000 0.465 227 I N 3.506 124.095 120.570 0.031 0.000 2.308 227 I HA -0.001 4.169 4.170 0.000 0.000 0.293 227 I C 1.205 177.341 176.117 0.033 0.000 1.078 227 I CA 0.207 61.525 61.300 0.030 0.000 1.292 227 I CB 0.242 38.262 38.000 0.032 0.000 1.423 227 I HN 0.578 nan 8.210 nan 0.000 0.493 228 S N 3.675 119.390 115.700 0.025 0.000 2.506 228 S HA 0.150 4.620 4.470 0.000 0.000 0.219 228 S C 0.720 175.331 174.600 0.019 0.000 1.031 228 S CA -0.268 57.946 58.200 0.023 0.000 0.911 228 S CB 0.424 63.634 63.200 0.017 0.000 0.812 228 S HN 0.645 nan 8.310 nan 0.000 0.497 229 N N 0.891 119.601 118.700 0.017 0.000 2.269 229 N HA 0.389 5.129 4.740 0.000 0.000 0.304 229 N C 0.433 175.952 175.510 0.016 0.000 1.072 229 N CA -0.573 52.486 53.050 0.014 0.000 0.802 229 N CB 1.798 40.290 38.487 0.009 0.000 1.348 229 N HN 0.131 nan 8.380 nan 0.000 0.484 230 I N 1.609 122.188 120.570 0.015 0.000 2.617 230 I HA 0.074 4.244 4.170 0.000 0.000 0.256 230 I C 2.038 178.161 176.117 0.010 0.000 1.167 230 I CA 0.656 61.966 61.300 0.016 0.000 1.469 230 I CB -0.375 37.636 38.000 0.018 0.000 1.098 230 I HN 0.425 nan 8.210 nan 0.000 0.436 231 R N 1.764 122.269 120.500 0.007 0.000 2.168 231 R HA -0.261 4.079 4.340 0.000 0.000 0.242 231 R C 1.803 178.104 176.300 0.002 0.000 1.123 231 R CA 2.482 58.585 56.100 0.004 0.000 0.928 231 R CB -0.882 29.420 30.300 0.003 0.000 0.873 231 R HN 0.627 nan 8.270 nan 0.000 0.434 232 E N 0.003 120.205 120.200 0.003 0.000 2.485 232 E HA -0.084 4.266 4.350 0.000 0.000 0.194 232 E C 1.311 177.910 176.600 -0.002 0.000 1.098 232 E CA 0.709 57.109 56.400 0.000 0.000 0.878 232 E CB -0.033 29.668 29.700 0.001 0.000 0.939 232 E HN 0.407 nan 8.360 nan 0.000 0.503 233 M N -0.356 119.244 119.600 0.000 0.000 2.251 233 M HA 0.247 4.727 4.480 0.000 0.000 0.308 233 M C 0.890 177.187 176.300 -0.005 0.000 0.967 233 M CA 0.086 55.385 55.300 -0.002 0.000 1.103 233 M CB 0.361 32.965 32.600 0.006 0.000 1.815 233 M HN 0.185 nan 8.290 nan 0.000 0.623 234 L N 1.225 122.446 121.223 -0.002 0.000 2.021 234 L HA -0.200 4.140 4.340 0.000 0.000 0.215 234 L C -0.815 176.048 176.870 -0.011 0.000 1.074 234 L CA 1.804 56.642 54.840 -0.003 0.000 0.760 234 L CB -2.217 39.842 42.059 -0.001 0.000 0.889 234 L HN 0.227 nan 8.230 nan 0.000 0.433 235 P HA -0.161 nan 4.420 nan 0.000 0.215 235 P C 1.917 179.194 177.300 -0.038 0.000 1.157 235 P CA 1.323 64.409 63.100 -0.024 0.000 0.874 235 P CB 0.015 31.701 31.700 -0.024 0.000 0.790 236 V N -0.528 119.360 119.914 -0.043 0.000 2.261 236 V HA -0.251 3.869 4.120 0.000 0.000 0.246 236 V C 2.480 178.536 176.094 -0.064 0.000 1.047 236 V CA 1.761 64.020 62.300 -0.068 0.000 1.015 236 V CB -1.490 30.297 31.823 -0.061 0.000 0.642 236 V HN 0.057 nan 8.190 nan 0.000 0.446 237 L N -0.227 120.976 121.223 -0.033 0.000 2.043 237 L HA -0.264 4.076 4.340 0.000 0.000 0.212 237 L C 2.638 179.500 176.870 -0.014 0.000 1.075 237 L CA 1.924 56.756 54.840 -0.014 0.000 0.752 237 L CB -0.712 41.348 42.059 0.003 0.000 0.891 237 L HN 0.425 nan 8.230 nan 0.000 0.432 238 E N -0.042 120.148 120.200 -0.018 0.000 2.051 238 E HA -0.228 4.122 4.350 0.000 0.000 0.192 238 E C 2.335 178.921 176.600 -0.022 0.000 0.991 238 E CA 1.190 57.581 56.400 -0.013 0.000 0.799 238 E CB -0.237 29.454 29.700 -0.014 0.000 0.748 238 E HN 0.518 nan 8.360 nan 0.000 0.449 239 A N 1.019 123.810 122.820 -0.048 0.000 1.908 239 A HA -0.170 4.150 4.320 0.000 0.000 0.218 239 A C 2.535 180.073 177.584 -0.076 0.000 1.181 239 A CA 1.395 53.389 52.037 -0.072 0.000 0.627 239 A CB -0.781 18.148 19.000 -0.117 0.000 0.818 239 A HN 0.125 nan 8.150 nan 0.000 0.445 240 V N -0.098 119.762 119.914 -0.090 0.000 2.343 240 V HA -0.267 3.853 4.120 0.000 0.000 0.247 240 V C 3.058 179.185 176.094 0.054 0.000 1.051 240 V CA 1.973 64.255 62.300 -0.030 0.000 1.036 240 V CB -1.352 30.468 31.823 -0.005 0.000 0.654 240 V HN 0.628 nan 8.190 nan 0.000 0.451 241 A N -0.140 122.698 122.820 0.029 0.000 1.908 241 A HA -0.266 4.054 4.320 0.000 0.000 0.218 241 A C 2.278 179.887 177.584 0.040 0.000 1.181 241 A CA 2.083 54.143 52.037 0.038 0.000 0.627 241 A CB -0.483 18.531 19.000 0.024 0.000 0.818 241 A HN 0.566 nan 8.150 nan 0.000 0.445 242 K N -0.420 119.997 120.400 0.029 0.000 2.147 242 K HA -0.054 4.266 4.320 0.000 0.000 0.205 242 K C 2.036 178.668 176.600 0.054 0.000 1.049 242 K CA 1.068 57.373 56.287 0.031 0.000 0.936 242 K CB -0.260 32.249 32.500 0.015 0.000 0.722 242 K HN 0.466 nan 8.250 nan 0.000 0.446 243 A N 0.287 123.160 122.820 0.088 0.000 2.123 243 A HA 0.136 4.457 4.320 0.000 0.000 0.214 243 A C 1.736 179.389 177.584 0.114 0.000 1.152 243 A CA 1.043 53.167 52.037 0.144 0.000 0.728 243 A CB -0.386 18.805 19.000 0.317 0.000 0.814 243 A HN 0.412 nan 8.150 nan 0.000 0.464 244 G N -0.616 108.239 108.800 0.092 0.000 2.220 244 G HA2 -0.324 3.636 3.960 0.000 0.000 0.269 244 G HA3 -0.324 3.636 3.960 0.000 0.000 0.269 244 G C 0.342 175.283 174.900 0.068 0.000 0.977 244 G CA 0.904 46.044 45.100 0.066 0.000 0.634 244 G HN 0.624 nan 8.290 nan 0.000 0.539 245 K N 1.761 122.223 120.400 0.104 0.000 2.185 245 K HA 0.451 4.771 4.320 0.000 0.000 0.271 245 K C -1.843 174.820 176.600 0.104 0.000 1.013 245 K CA -1.443 54.887 56.287 0.073 0.000 0.943 245 K CB 1.204 33.717 32.500 0.021 0.000 0.998 245 K HN 0.148 nan 8.250 nan 0.000 0.468 246 P HA 0.104 nan 4.420 nan 0.000 0.275 246 P C -1.082 176.273 177.300 0.091 0.000 1.266 246 P CA -0.453 62.680 63.100 0.056 0.000 0.793 246 P CB 0.605 32.316 31.700 0.019 0.000 1.074 247 L N 0.089 121.350 121.223 0.063 0.000 2.401 247 L HA 0.605 4.945 4.340 0.000 0.000 0.266 247 L C -1.547 175.329 176.870 0.010 0.000 0.991 247 L CA -0.978 53.908 54.840 0.076 0.000 0.818 247 L CB 1.893 43.994 42.059 0.070 0.000 1.321 247 L HN 0.163 nan 8.230 nan 0.000 0.413 248 L N 5.488 126.727 121.223 0.027 0.000 2.343 248 L HA 0.631 4.971 4.340 0.000 0.000 0.278 248 L C -1.321 175.556 176.870 0.013 0.000 0.996 248 L CA -0.098 54.737 54.840 -0.008 0.000 0.831 248 L CB 1.303 43.371 42.059 0.015 0.000 1.232 248 L HN 0.530 nan 8.230 nan 0.000 0.413 249 I N 6.739 127.298 120.570 -0.018 0.000 2.307 249 I HA 0.347 4.517 4.170 0.000 0.000 0.289 249 I C -0.431 175.708 176.117 0.037 0.000 1.021 249 I CA -0.260 61.047 61.300 0.011 0.000 1.224 249 I CB 0.981 38.983 38.000 0.003 0.000 1.376 249 I HN 0.502 nan 8.210 nan 0.000 0.470 250 I N 6.578 127.182 120.570 0.056 0.000 2.347 250 I HA 0.544 4.714 4.170 0.000 0.000 0.283 250 I C 0.335 176.476 176.117 0.040 0.000 1.058 250 I CA -0.068 61.276 61.300 0.074 0.000 1.202 250 I CB 0.927 38.980 38.000 0.087 0.000 1.386 250 I HN 0.620 nan 8.210 nan 0.000 0.475 251 A N 4.619 127.466 122.820 0.045 0.000 2.437 251 A HA 0.438 4.759 4.320 0.000 0.000 0.288 251 A C 0.949 178.553 177.584 0.034 0.000 1.201 251 A CA -0.538 51.518 52.037 0.032 0.000 0.795 251 A CB 1.375 20.397 19.000 0.037 0.000 1.359 251 A HN 0.692 nan 8.150 nan 0.000 0.435 252 E N -0.714 119.503 120.200 0.029 0.000 2.085 252 E HA -0.154 4.197 4.350 0.000 0.000 0.194 252 E C -0.543 176.086 176.600 0.048 0.000 0.994 252 E CA 1.616 58.036 56.400 0.034 0.000 0.801 252 E CB 0.147 29.866 29.700 0.032 0.000 0.743 252 E HN 0.587 nan 8.360 nan 0.000 0.453 253 D N -1.748 118.682 120.400 0.050 0.000 2.738 253 D HA 0.088 4.728 4.640 0.000 0.000 0.229 253 D C -1.895 174.440 176.300 0.059 0.000 1.200 253 D CA -0.426 53.609 54.000 0.059 0.000 0.746 253 D CB 1.618 42.449 40.800 0.052 0.000 1.597 253 D HN -0.131 nan 8.370 nan 0.000 0.471 254 V N 3.244 123.203 119.914 0.074 0.000 2.347 254 V HA 0.390 4.511 4.120 0.000 0.000 0.280 254 V C 0.082 176.216 176.094 0.068 0.000 1.021 254 V CA -0.566 61.780 62.300 0.076 0.000 0.847 254 V CB 1.379 33.266 31.823 0.106 0.000 0.990 254 V HN 0.400 nan 8.190 nan 0.000 0.444 255 E N 3.045 123.274 120.200 0.048 0.000 2.283 255 E HA 0.385 4.735 4.350 0.000 0.000 0.278 255 E C 0.888 177.504 176.600 0.026 0.000 1.027 255 E CA -0.282 56.138 56.400 0.034 0.000 0.843 255 E CB 1.304 31.019 29.700 0.024 0.000 1.062 255 E HN 0.811 nan 8.360 nan 0.000 0.401 256 G N 2.830 111.637 108.800 0.012 0.000 3.392 256 G HA2 -0.100 3.860 3.960 0.000 0.000 0.247 256 G HA3 -0.100 3.860 3.960 0.000 0.000 0.247 256 G C 0.410 175.302 174.900 -0.013 0.000 1.161 256 G CA 0.039 45.134 45.100 -0.008 0.000 1.739 256 G HN 0.533 nan 8.290 nan 0.000 0.619 257 E N -0.347 119.851 120.200 -0.003 0.000 2.134 257 E HA 0.239 4.589 4.350 0.000 0.000 0.194 257 E C 2.236 178.833 176.600 -0.005 0.000 0.937 257 E CA 0.751 57.148 56.400 -0.005 0.000 0.874 257 E CB 0.391 30.091 29.700 0.000 0.000 0.853 257 E HN 0.393 nan 8.360 nan 0.000 0.471 258 A N -0.075 122.746 122.820 0.003 0.000 1.878 258 A HA 0.151 4.471 4.320 0.000 0.000 0.201 258 A C 1.632 179.225 177.584 0.015 0.000 1.684 258 A CA -0.203 51.837 52.037 0.005 0.000 1.113 258 A CB -0.312 18.692 19.000 0.006 0.000 1.131 258 A HN 0.117 nan 8.150 nan 0.000 0.472 259 L N 0.653 121.891 121.223 0.025 0.000 1.950 259 L HA 0.096 4.436 4.340 0.000 0.000 0.210 259 L C 2.687 179.593 176.870 0.060 0.000 1.079 259 L CA 2.426 57.292 54.840 0.043 0.000 0.754 259 L CB -0.686 41.403 42.059 0.050 0.000 0.889 259 L HN 0.347 nan 8.230 nan 0.000 0.433 260 A N -1.552 121.309 122.820 0.067 0.000 1.986 260 A HA -0.251 4.069 4.320 0.000 0.000 0.220 260 A C 2.171 179.758 177.584 0.005 0.000 1.171 260 A CA 2.455 54.538 52.037 0.078 0.000 0.640 260 A CB -1.340 17.696 19.000 0.059 0.000 0.811 260 A HN 0.642 nan 8.150 nan 0.000 0.451 261 T N 0.294 114.841 114.554 -0.012 0.000 2.643 261 T HA -0.007 4.343 4.350 0.000 0.000 0.264 261 T C 2.281 176.965 174.700 -0.026 0.000 1.045 261 T CA 1.762 63.836 62.100 -0.042 0.000 1.155 261 T CB -0.613 68.236 68.868 -0.032 0.000 0.863 261 T HN 0.621 nan 8.240 nan 0.000 0.420 262 A N 1.156 123.978 122.820 0.004 0.000 1.873 262 A HA -0.024 4.296 4.320 0.000 0.000 0.215 262 A C 2.613 180.223 177.584 0.043 0.000 1.186 262 A CA 1.359 53.406 52.037 0.017 0.000 0.616 262 A CB -1.189 17.825 19.000 0.023 0.000 0.823 262 A HN 0.320 nan 8.150 nan 0.000 0.442 263 V N -0.418 119.545 119.914 0.082 0.000 2.453 263 V HA -0.255 3.865 4.120 0.000 0.000 0.252 263 V C 2.355 178.560 176.094 0.184 0.000 1.068 263 V CA 2.121 64.519 62.300 0.163 0.000 1.070 263 V CB -0.705 31.270 31.823 0.253 0.000 0.664 263 V HN 0.396 nan 8.190 nan 0.000 0.461 264 V N -0.637 119.302 119.914 0.041 0.000 2.543 264 V HA -0.026 4.094 4.120 0.000 0.000 0.232 264 V C 2.087 178.156 176.094 -0.041 0.000 1.087 264 V CA 1.254 63.506 62.300 -0.081 0.000 1.113 264 V CB -0.732 30.903 31.823 -0.313 0.000 0.779 264 V HN 0.424 nan 8.190 nan 0.000 0.495 265 N N 0.578 119.237 118.700 -0.069 0.000 2.137 265 N HA -0.167 4.574 4.740 0.000 0.000 0.190 265 N C 1.720 177.225 175.510 -0.009 0.000 1.017 265 N CA 2.229 55.251 53.050 -0.047 0.000 0.859 265 N CB -0.164 38.285 38.487 -0.063 0.000 1.002 265 N HN 0.495 nan 8.380 nan 0.000 0.428 266 T N 1.251 115.808 114.554 0.005 0.000 2.925 266 T HA 0.211 4.561 4.350 0.000 0.000 0.245 266 T C 1.343 176.062 174.700 0.032 0.000 1.025 266 T CA 0.085 62.196 62.100 0.017 0.000 1.149 266 T CB 0.253 69.132 68.868 0.018 0.000 0.866 266 T HN 0.085 nan 8.240 nan 0.000 0.437 267 I N 3.008 123.609 120.570 0.051 0.000 2.397 267 I HA 0.108 4.278 4.170 0.000 0.000 0.291 267 I C 0.909 177.070 176.117 0.073 0.000 1.125 267 I CA 0.023 61.364 61.300 0.068 0.000 1.961 267 I CB -0.015 38.043 38.000 0.096 0.000 1.508 267 I HN -0.043 nan 8.210 nan 0.000 0.886 268 R N 2.331 122.861 120.500 0.051 0.000 2.427 268 R HA 0.298 4.638 4.340 0.000 0.000 0.262 268 R C 1.186 177.510 176.300 0.039 0.000 0.943 268 R CA 0.220 56.347 56.100 0.046 0.000 1.081 268 R CB 0.957 31.278 30.300 0.034 0.000 1.166 268 R HN 0.664 nan 8.270 nan 0.000 0.534 269 G N -0.117 108.708 108.800 0.041 0.000 4.103 269 G HA2 -0.120 3.841 3.960 0.000 0.000 0.163 269 G HA3 -0.120 3.841 3.960 0.000 0.000 0.163 269 G C 0.870 175.790 174.900 0.034 0.000 0.840 269 G CA -0.188 44.932 45.100 0.034 0.000 0.905 269 G HN 0.182 nan 8.290 nan 0.000 0.377 270 I N 1.198 121.788 120.570 0.034 0.000 2.226 270 I HA 0.113 4.283 4.170 0.000 0.000 0.245 270 I C 0.317 176.456 176.117 0.037 0.000 1.100 270 I CA 1.504 62.823 61.300 0.032 0.000 1.374 270 I CB 0.124 38.142 38.000 0.030 0.000 1.057 270 I HN 0.017 nan 8.210 nan 0.000 0.413 271 V N -0.036 119.905 119.914 0.045 0.000 3.160 271 V HA 0.347 4.467 4.120 0.000 0.000 0.310 271 V C -0.837 175.291 176.094 0.056 0.000 1.181 271 V CA -1.046 61.284 62.300 0.049 0.000 1.047 271 V CB 1.874 33.727 31.823 0.051 0.000 1.068 271 V HN -0.042 nan 8.190 nan 0.000 0.441 272 K N 1.260 121.691 120.400 0.052 0.000 2.473 272 K HA 0.688 5.008 4.320 0.000 0.000 0.246 272 K C -1.551 175.068 176.600 0.031 0.000 1.011 272 K CA -0.265 56.051 56.287 0.048 0.000 0.984 272 K CB 1.697 34.217 32.500 0.033 0.000 1.250 272 K HN 0.427 nan 8.250 nan 0.000 0.454 273 V N 1.760 121.696 119.914 0.036 0.000 2.540 273 V HA 0.687 4.807 4.120 0.000 0.000 0.302 273 V C -0.451 175.484 176.094 -0.264 0.000 1.035 273 V CA -0.919 61.358 62.300 -0.039 0.000 0.873 273 V CB 1.661 33.499 31.823 0.024 0.000 0.992 273 V HN 0.774 nan 8.190 nan 0.000 0.428 274 A N 3.429 125.993 122.820 -0.428 0.000 2.401 274 A HA 1.021 5.341 4.320 0.000 0.000 0.310 274 A C -0.411 176.791 177.584 -0.636 0.000 1.075 274 A CA -0.351 51.146 52.037 -0.900 0.000 0.746 274 A CB 1.891 20.618 19.000 -0.455 0.000 1.277 274 A HN 1.489 nan 8.150 nan 0.000 0.425 275 A N 0.710 123.092 122.820 -0.730 0.000 2.414 275 A HA 0.829 5.149 4.320 0.000 0.000 0.306 275 A C -0.499 177.088 177.584 0.005 0.000 1.054 275 A CA -0.076 51.851 52.037 -0.183 0.000 0.724 275 A CB 1.340 20.337 19.000 -0.005 0.000 1.267 275 A HN 2.313 nan 8.150 nan 0.000 0.418 276 V N -0.951 119.002 119.914 0.065 0.000 3.114 276 V HA 0.647 4.767 4.120 0.000 0.000 0.308 276 V C -0.652 175.528 176.094 0.142 0.000 1.168 276 V CA -1.234 61.141 62.300 0.126 0.000 1.015 276 V CB 1.620 33.524 31.823 0.136 0.000 1.050 276 V HN 0.854 nan 8.190 nan 0.000 0.433 277 K N 1.717 122.208 120.400 0.152 0.000 2.185 277 K HA 0.724 5.044 4.320 0.000 0.000 0.271 277 K C 0.340 177.014 176.600 0.122 0.000 1.013 277 K CA 0.152 56.513 56.287 0.122 0.000 0.943 277 K CB 1.571 34.136 32.500 0.108 0.000 0.998 277 K HN 1.129 nan 8.250 nan 0.000 0.468 278 A N 3.980 126.824 122.820 0.040 0.000 2.445 278 A HA 0.212 4.532 4.320 0.000 0.000 0.242 278 A C -2.062 175.473 177.584 -0.082 0.000 1.075 278 A CA -1.068 50.926 52.037 -0.071 0.000 0.777 278 A CB -0.361 18.598 19.000 -0.068 0.000 1.013 278 A HN 0.459 nan 8.150 nan 0.000 0.493 279 P HA 0.392 nan 4.420 nan 0.000 0.275 279 P C 0.640 177.904 177.300 -0.060 0.000 1.228 279 P CA 1.412 64.426 63.100 -0.144 0.000 0.786 279 P CB 0.721 32.212 31.700 -0.347 0.000 0.927 280 G N 2.153 110.974 108.800 0.034 0.000 2.750 280 G HA2 -0.085 3.875 3.960 0.000 0.000 0.228 280 G HA3 -0.085 3.875 3.960 0.000 0.000 0.228 280 G C -0.778 174.219 174.900 0.162 0.000 1.367 280 G CA 0.004 45.148 45.100 0.075 0.000 0.871 280 G HN 0.743 nan 8.290 nan 0.000 0.560 281 F N -2.197 117.758 119.950 0.009 0.000 2.726 281 F HA 0.832 5.359 4.527 0.000 0.000 0.324 281 F C 1.116 176.925 175.800 0.016 0.000 1.140 281 F CA 0.272 58.280 58.000 0.013 0.000 0.964 281 F CB 0.891 39.904 39.000 0.022 0.000 1.399 281 F HN 2.470 nan 8.300 nan 0.000 0.491 282 G N 1.305 110.162 108.800 0.095 0.000 2.582 282 G HA2 -0.318 3.642 3.960 0.000 0.000 0.288 282 G HA3 -0.318 3.642 3.960 0.000 0.000 0.288 282 G C 0.278 175.112 174.900 -0.110 0.000 1.247 282 G CA 0.714 45.778 45.100 -0.059 0.000 0.972 282 G HN 0.881 nan 8.290 nan 0.000 0.557 283 D N 0.447 120.765 120.400 -0.137 0.000 2.144 283 D HA -0.043 4.598 4.640 0.000 0.000 0.200 283 D C 2.640 178.871 176.300 -0.116 0.000 0.978 283 D CA 1.330 55.273 54.000 -0.095 0.000 0.833 283 D CB -0.215 40.542 40.800 -0.072 0.000 0.961 283 D HN 0.519 nan 8.370 nan 0.000 0.470 284 R N 0.614 121.007 120.500 -0.178 0.000 2.105 284 R HA -0.074 4.266 4.340 0.000 0.000 0.239 284 R C 2.360 178.581 176.300 -0.131 0.000 1.135 284 R CA 0.883 56.886 56.100 -0.162 0.000 0.967 284 R CB -0.201 29.972 30.300 -0.211 0.000 0.861 284 R HN 0.119 nan 8.270 nan 0.000 0.442 285 R N 1.582 122.009 120.500 -0.122 0.000 2.103 285 R HA -0.185 4.155 4.340 0.000 0.000 0.242 285 R C 1.573 177.825 176.300 -0.079 0.000 1.142 285 R CA 1.811 57.862 56.100 -0.081 0.000 0.960 285 R CB 0.018 30.302 30.300 -0.027 0.000 0.858 285 R HN 0.184 nan 8.270 nan 0.000 0.439 286 K N -0.231 120.129 120.400 -0.066 0.000 2.031 286 K HA -0.039 4.281 4.320 0.000 0.000 0.205 286 K C 2.196 178.758 176.600 -0.063 0.000 1.049 286 K CA 1.199 57.453 56.287 -0.055 0.000 0.939 286 K CB -0.152 32.323 32.500 -0.041 0.000 0.717 286 K HN 0.201 nan 8.250 nan 0.000 0.438 287 A N 1.757 124.535 122.820 -0.070 0.000 1.865 287 A HA -0.189 4.131 4.320 0.000 0.000 0.217 287 A C 2.228 179.765 177.584 -0.077 0.000 1.191 287 A CA 1.690 53.687 52.037 -0.067 0.000 0.623 287 A CB -0.578 18.380 19.000 -0.070 0.000 0.826 287 A HN 0.175 nan 8.150 nan 0.000 0.444 288 M N -0.759 118.781 119.600 -0.100 0.000 2.108 288 M HA -0.145 4.335 4.480 0.000 0.000 0.261 288 M C 2.186 178.405 176.300 -0.135 0.000 1.066 288 M CA 1.443 56.668 55.300 -0.124 0.000 1.107 288 M CB -0.545 31.958 32.600 -0.162 0.000 1.356 288 M HN 0.386 nan 8.290 nan 0.000 0.406 289 L N 0.087 121.232 121.223 -0.129 0.000 2.127 289 L HA -0.261 4.079 4.340 0.000 0.000 0.211 289 L C 2.879 179.706 176.870 -0.071 0.000 1.089 289 L CA 1.308 56.080 54.840 -0.112 0.000 0.757 289 L CB -0.626 41.382 42.059 -0.084 0.000 0.899 289 L HN 0.482 nan 8.230 nan 0.000 0.434 290 Q N 0.319 120.083 119.800 -0.059 0.000 2.050 290 Q HA -0.234 4.106 4.340 0.000 0.000 0.202 290 Q C 1.541 177.519 176.000 -0.035 0.000 0.980 290 Q CA 2.027 57.806 55.803 -0.040 0.000 0.840 290 Q CB -0.111 28.605 28.738 -0.036 0.000 0.898 290 Q HN 0.496 nan 8.270 nan 0.000 0.424 291 D N 0.931 121.304 120.400 -0.045 0.000 2.116 291 D HA -0.167 4.473 4.640 0.000 0.000 0.193 291 D C 2.118 178.404 176.300 -0.023 0.000 0.998 291 D CA 1.454 55.433 54.000 -0.034 0.000 0.836 291 D CB -0.459 40.315 40.800 -0.043 0.000 0.951 291 D HN 0.382 nan 8.370 nan 0.000 0.449 292 I N 1.061 121.607 120.570 -0.040 0.000 2.286 292 I HA -0.248 3.922 4.170 0.000 0.000 0.248 292 I C 2.493 178.613 176.117 0.005 0.000 1.115 292 I CA 0.939 62.231 61.300 -0.013 0.000 1.392 292 I CB -0.291 37.679 38.000 -0.050 0.000 1.065 292 I HN -0.065 nan 8.210 nan 0.000 0.418 293 A N 1.334 124.150 122.820 -0.007 0.000 1.845 293 A HA -0.251 4.070 4.320 0.000 0.000 0.215 293 A C 2.499 180.089 177.584 0.010 0.000 1.195 293 A CA 2.792 54.831 52.037 0.005 0.000 0.616 293 A CB -1.349 17.649 19.000 -0.004 0.000 0.832 293 A HN 0.514 nan 8.150 nan 0.000 0.443 294 T N -1.491 113.065 114.554 0.003 0.000 2.746 294 T HA -0.144 4.206 4.350 0.000 0.000 0.267 294 T C 1.845 176.551 174.700 0.010 0.000 1.039 294 T CA 1.358 63.461 62.100 0.005 0.000 1.142 294 T CB -0.526 68.341 68.868 -0.001 0.000 0.866 294 T HN 0.217 nan 8.240 nan 0.000 0.444 295 L N 2.560 123.790 121.223 0.012 0.000 2.046 295 L HA -0.073 4.267 4.340 0.000 0.000 0.208 295 L C 2.415 179.298 176.870 0.022 0.000 1.077 295 L CA 2.723 57.573 54.840 0.017 0.000 0.747 295 L CB -1.554 40.520 42.059 0.025 0.000 0.896 295 L HN 0.638 nan 8.230 nan 0.000 0.432 296 T N -4.086 110.485 114.554 0.029 0.000 3.107 296 T HA 0.255 4.605 4.350 0.000 0.000 0.249 296 T C 1.394 176.115 174.700 0.035 0.000 1.096 296 T CA 0.516 62.636 62.100 0.033 0.000 1.012 296 T CB 0.101 68.998 68.868 0.048 0.000 0.977 296 T HN 0.569 nan 8.240 nan 0.000 0.527 297 G N 0.562 109.380 108.800 0.030 0.000 2.162 297 G HA2 -0.083 3.877 3.960 0.000 0.000 0.260 297 G HA3 -0.083 3.877 3.960 0.000 0.000 0.260 297 G C 0.415 175.340 174.900 0.040 0.000 0.976 297 G CA -0.123 44.996 45.100 0.031 0.000 0.655 297 G HN 1.034 nan 8.290 nan 0.000 0.533 298 G N -0.926 107.901 108.800 0.045 0.000 2.531 298 G HA2 0.804 4.764 3.960 0.000 0.000 0.313 298 G HA3 0.804 4.764 3.960 0.000 0.000 0.313 298 G C 0.098 175.014 174.900 0.026 0.000 1.238 298 G CA 0.531 45.659 45.100 0.047 0.000 0.994 298 G HN 1.193 nan 8.290 nan 0.000 0.493 299 T N -2.482 112.083 114.554 0.019 0.000 2.885 299 T HA 0.590 4.940 4.350 0.000 0.000 0.285 299 T C -0.421 174.281 174.700 0.003 0.000 1.019 299 T CA -0.688 61.416 62.100 0.007 0.000 1.010 299 T CB 1.813 70.683 68.868 0.003 0.000 1.022 299 T HN 0.353 nan 8.240 nan 0.000 0.466 300 V N 2.504 122.416 119.914 -0.003 0.000 2.509 300 V HA 0.346 4.466 4.120 0.000 0.000 0.284 300 V C -0.055 176.035 176.094 -0.006 0.000 1.047 300 V CA -0.783 61.514 62.300 -0.006 0.000 0.952 300 V CB 0.799 32.614 31.823 -0.013 0.000 0.988 300 V HN 0.777 nan 8.190 nan 0.000 0.469 301 I N 4.787 125.354 120.570 -0.005 0.000 2.291 301 I HA 0.265 4.435 4.170 0.000 0.000 0.292 301 I C 0.464 176.578 176.117 -0.004 0.000 1.064 301 I CA 0.708 62.005 61.300 -0.005 0.000 1.269 301 I CB 1.155 39.152 38.000 -0.006 0.000 1.418 301 I HN 0.726 nan 8.210 nan 0.000 0.485 302 S N 3.886 119.583 115.700 -0.005 0.000 2.498 302 S HA 0.421 4.891 4.470 0.000 0.000 0.317 302 S C 0.678 175.277 174.600 -0.002 0.000 1.090 302 S CA -0.826 57.371 58.200 -0.004 0.000 1.089 302 S CB 1.286 64.483 63.200 -0.006 0.000 0.997 302 S HN 0.598 nan 8.310 nan 0.000 0.470 303 E N 2.157 122.357 120.200 -0.000 0.000 2.209 303 E HA -0.214 4.136 4.350 0.000 0.000 0.196 303 E C 1.321 177.921 176.600 0.000 0.000 0.993 303 E CA 1.477 57.878 56.400 0.001 0.000 0.819 303 E CB -0.072 29.630 29.700 0.003 0.000 0.745 303 E HN 0.821 nan 8.360 nan 0.000 0.477 304 E N 0.371 120.571 120.200 -0.000 0.000 2.085 304 E HA -0.179 4.171 4.350 0.000 0.000 0.194 304 E C 1.645 178.244 176.600 -0.002 0.000 0.994 304 E CA 0.790 57.189 56.400 -0.000 0.000 0.801 304 E CB 0.047 29.746 29.700 -0.001 0.000 0.743 304 E HN 0.247 nan 8.360 nan 0.000 0.453 305 I N -0.273 120.295 120.570 -0.003 0.000 3.684 305 I HA 0.092 4.262 4.170 0.000 0.000 0.304 305 I C 1.411 177.526 176.117 -0.003 0.000 1.278 305 I CA 0.745 62.043 61.300 -0.003 0.000 1.272 305 I CB -0.645 37.353 38.000 -0.005 0.000 1.029 305 I HN 0.223 nan 8.210 nan 0.000 0.458 306 G N 1.263 110.061 108.800 -0.002 0.000 2.136 306 G HA2 -0.243 3.717 3.960 0.000 0.000 0.242 306 G HA3 -0.243 3.717 3.960 0.000 0.000 0.242 306 G C 0.375 175.273 174.900 -0.003 0.000 0.989 306 G CA -0.214 44.885 45.100 -0.002 0.000 0.682 306 G HN 0.182 nan 8.290 nan 0.000 0.522 307 M N 0.743 120.341 119.600 -0.004 0.000 2.238 307 M HA 0.303 4.783 4.480 0.000 0.000 0.350 307 M C 0.488 176.786 176.300 -0.005 0.000 1.321 307 M CA 0.729 56.026 55.300 -0.005 0.000 1.097 307 M CB 0.143 32.739 32.600 -0.005 0.000 1.713 307 M HN 0.296 nan 8.290 nan 0.000 0.455 308 E N 2.979 123.175 120.200 -0.006 0.000 2.165 308 E HA 0.281 4.632 4.350 0.000 0.000 0.266 308 E C 0.512 177.107 176.600 -0.009 0.000 0.889 308 E CA -0.404 55.993 56.400 -0.006 0.000 0.756 308 E CB 2.012 31.709 29.700 -0.006 0.000 1.131 308 E HN 0.622 nan 8.360 nan 0.000 0.411 309 L N 2.442 123.661 121.223 -0.007 0.000 2.265 309 L HA -0.193 4.147 4.340 0.000 0.000 0.215 309 L C 1.691 178.553 176.870 -0.013 0.000 1.117 309 L CA 1.324 56.158 54.840 -0.010 0.000 0.782 309 L CB -0.182 41.874 42.059 -0.005 0.000 0.914 309 L HN 0.625 nan 8.230 nan 0.000 0.441 310 E N 0.150 120.344 120.200 -0.010 0.000 2.204 310 E HA -0.218 4.132 4.350 0.000 0.000 0.195 310 E C 1.303 177.893 176.600 -0.015 0.000 0.990 310 E CA 0.943 57.336 56.400 -0.011 0.000 0.821 310 E CB 0.049 29.744 29.700 -0.008 0.000 0.750 310 E HN 0.471 nan 8.360 nan 0.000 0.477 311 K N 0.137 120.527 120.400 -0.016 0.000 2.414 311 K HA 0.283 4.603 4.320 0.000 0.000 0.204 311 K C -0.151 176.433 176.600 -0.026 0.000 1.026 311 K CA -0.220 56.056 56.287 -0.019 0.000 1.108 311 K CB 1.298 33.789 32.500 -0.015 0.000 0.855 311 K HN -0.067 nan 8.250 nan 0.000 0.517 312 A N 2.532 125.334 122.820 -0.029 0.000 2.475 312 A HA 0.100 4.420 4.320 0.000 0.000 0.293 312 A C 0.591 178.140 177.584 -0.059 0.000 1.252 312 A CA -0.135 51.879 52.037 -0.039 0.000 0.920 312 A CB -0.562 18.416 19.000 -0.037 0.000 1.125 312 A HN 0.294 nan 8.150 nan 0.000 0.528 313 T N 0.608 115.126 114.554 -0.060 0.000 2.847 313 T HA 0.433 4.784 4.350 0.000 0.000 0.279 313 T C 1.339 175.965 174.700 -0.124 0.000 0.984 313 T CA -0.732 61.320 62.100 -0.080 0.000 0.988 313 T CB 0.571 69.406 68.868 -0.055 0.000 1.040 313 T HN 0.353 nan 8.240 nan 0.000 0.528 314 L N 0.028 121.146 121.223 -0.174 0.000 2.129 314 L HA -0.114 4.226 4.340 0.000 0.000 0.212 314 L C 2.980 179.745 176.870 -0.175 0.000 1.087 314 L CA 1.746 56.402 54.840 -0.306 0.000 0.757 314 L CB -0.563 41.295 42.059 -0.335 0.000 0.896 314 L HN 0.885 nan 8.230 nan 0.000 0.434 315 E N -0.024 120.135 120.200 -0.069 0.000 2.265 315 E HA -0.226 4.125 4.350 0.000 0.000 0.196 315 E C 1.329 177.931 176.600 0.003 0.000 0.996 315 E CA 0.977 57.374 56.400 -0.004 0.000 0.832 315 E CB 0.170 29.871 29.700 0.002 0.000 0.756 315 E HN 0.486 nan 8.360 nan 0.000 0.491 316 D N 0.167 120.550 120.400 -0.027 0.000 2.234 316 D HA -0.030 4.610 4.640 0.000 0.000 0.205 316 D C 0.549 176.852 176.300 0.006 0.000 0.962 316 D CA 0.433 54.426 54.000 -0.012 0.000 0.855 316 D CB 0.092 40.876 40.800 -0.027 0.000 0.951 316 D HN 0.231 nan 8.370 nan 0.000 0.500 317 L N 1.133 122.348 121.223 -0.013 0.000 2.380 317 L HA 0.312 4.652 4.340 0.000 0.000 0.273 317 L C 1.351 178.344 176.870 0.204 0.000 1.138 317 L CA -0.498 54.377 54.840 0.059 0.000 0.832 317 L CB 0.942 42.958 42.059 -0.072 0.000 1.124 317 L HN -0.106 nan 8.230 nan 0.000 0.454 318 G N 2.033 110.946 108.800 0.190 0.000 2.543 318 G HA2 0.471 4.431 3.960 0.000 0.000 0.290 318 G HA3 0.471 4.431 3.960 0.000 0.000 0.290 318 G C -1.053 173.957 174.900 0.183 0.000 1.310 318 G CA -0.234 44.962 45.100 0.161 0.000 1.025 318 G HN 0.613 nan 8.290 nan 0.000 0.502 319 Q N -2.012 117.821 119.800 0.055 0.000 2.435 319 Q HA 0.576 4.916 4.340 0.000 0.000 0.282 319 Q C -1.451 174.517 176.000 -0.054 0.000 1.020 319 Q CA -0.841 54.921 55.803 -0.068 0.000 0.820 319 Q CB 2.295 30.897 28.738 -0.228 0.000 1.436 319 Q HN 0.951 nan 8.270 nan 0.000 0.395 320 A N 1.800 124.574 122.820 -0.077 0.000 2.572 320 A HA 0.369 4.689 4.320 0.000 0.000 0.295 320 A C -0.240 177.304 177.584 -0.067 0.000 1.072 320 A CA -0.548 51.460 52.037 -0.049 0.000 0.691 320 A CB 1.784 20.771 19.000 -0.020 0.000 1.291 320 A HN 0.845 nan 8.150 nan 0.000 0.404 321 K N -0.072 120.298 120.400 -0.051 0.000 2.103 321 K HA -0.077 4.243 4.320 0.000 0.000 0.207 321 K C 0.667 177.239 176.600 -0.046 0.000 1.048 321 K CA 1.631 57.888 56.287 -0.051 0.000 0.930 321 K CB 0.045 32.523 32.500 -0.036 0.000 0.716 321 K HN 0.630 nan 8.250 nan 0.000 0.444 322 R N -0.846 119.632 120.500 -0.037 0.000 2.664 322 R HA 0.289 4.629 4.340 0.000 0.000 0.266 322 R C -2.084 174.199 176.300 -0.028 0.000 1.046 322 R CA -0.690 55.391 56.100 -0.032 0.000 0.885 322 R CB 2.073 32.358 30.300 -0.026 0.000 1.254 322 R HN -0.083 nan 8.270 nan 0.000 0.465 323 V N 3.159 123.057 119.914 -0.027 0.000 2.686 323 V HA 0.515 4.635 4.120 0.000 0.000 0.306 323 V C -0.945 175.131 176.094 -0.031 0.000 1.065 323 V CA -0.743 61.538 62.300 -0.031 0.000 0.894 323 V CB 2.144 33.952 31.823 -0.027 0.000 1.004 323 V HN 0.492 nan 8.190 nan 0.000 0.424 324 V N 6.191 126.080 119.914 -0.042 0.000 2.407 324 V HA 0.584 4.704 4.120 0.000 0.000 0.291 324 V C -0.419 175.643 176.094 -0.055 0.000 1.018 324 V CA -0.341 61.941 62.300 -0.031 0.000 0.842 324 V CB 1.629 33.439 31.823 -0.021 0.000 0.996 324 V HN 0.706 nan 8.190 nan 0.000 0.426 325 I N 5.426 125.985 120.570 -0.018 0.000 2.603 325 I HA 0.650 4.820 4.170 0.000 0.000 0.300 325 I C -0.117 176.020 176.117 0.034 0.000 1.017 325 I CA -0.396 60.886 61.300 -0.030 0.000 1.098 325 I CB 2.206 40.218 38.000 0.020 0.000 1.279 325 I HN 0.797 nan 8.210 nan 0.000 0.437 326 N N 3.275 121.904 118.700 -0.118 0.000 3.439 326 N HA 0.344 5.084 4.740 0.000 0.000 0.343 326 N C 0.245 175.292 175.510 -0.773 0.000 1.597 326 N CA -0.762 52.181 53.050 -0.178 0.000 0.733 326 N CB 0.415 38.846 38.487 -0.093 0.000 1.973 326 N HN 0.216 nan 8.380 nan 0.000 0.646 327 K N -0.557 119.486 120.400 -0.596 0.000 2.044 327 K HA -0.112 4.208 4.320 0.000 0.000 0.210 327 K C -0.223 176.106 176.600 -0.452 0.000 1.049 327 K CA 2.460 58.383 56.287 -0.607 0.000 0.927 327 K CB -0.537 31.844 32.500 -0.199 0.000 0.713 327 K HN 0.817 nan 8.250 nan 0.000 0.443 328 D N -1.907 118.319 120.400 -0.289 0.000 2.865 328 D HA 0.152 4.792 4.640 0.000 0.000 0.347 328 D C -0.875 175.336 176.300 -0.149 0.000 1.498 328 D CA -0.540 53.353 54.000 -0.178 0.000 0.787 328 D CB 0.449 41.188 40.800 -0.102 0.000 1.190 328 D HN -0.137 nan 8.370 nan 0.000 0.445 329 T N -0.869 113.563 114.554 -0.203 0.000 2.942 329 T HA 0.603 4.953 4.350 0.000 0.000 0.327 329 T C -1.004 173.518 174.700 -0.297 0.000 1.360 329 T CA -0.641 61.331 62.100 -0.213 0.000 1.055 329 T CB 2.122 70.897 68.868 -0.154 0.000 1.261 329 T HN -0.107 nan 8.240 nan 0.000 0.485 330 T N 1.830 116.086 114.554 -0.497 0.000 2.879 330 T HA 0.651 5.001 4.350 0.000 0.000 0.290 330 T C -0.728 173.644 174.700 -0.546 0.000 0.993 330 T CA -0.515 61.233 62.100 -0.587 0.000 0.975 330 T CB 1.771 70.081 68.868 -0.930 0.000 0.981 330 T HN 0.624 nan 8.240 nan 0.000 0.439 331 T N 3.715 118.101 114.554 -0.280 0.000 2.815 331 T HA 0.560 4.910 4.350 0.000 0.000 0.289 331 T C -0.346 174.299 174.700 -0.091 0.000 1.000 331 T CA -0.573 61.430 62.100 -0.161 0.000 0.958 331 T CB 0.058 68.869 68.868 -0.095 0.000 0.944 331 T HN 0.484 nan 8.240 nan 0.000 0.442 332 I N 7.328 127.874 120.570 -0.040 0.000 2.281 332 I HA 0.252 4.422 4.170 0.000 0.000 0.293 332 I C 1.381 177.499 176.117 0.001 0.000 1.085 332 I CA -0.281 61.021 61.300 0.004 0.000 1.257 332 I CB 0.805 38.842 38.000 0.062 0.000 1.430 332 I HN 0.713 nan 8.210 nan 0.000 0.489 333 I N 3.576 124.140 120.570 -0.011 0.000 2.286 333 I HA -0.115 4.055 4.170 0.000 0.000 0.245 333 I C 0.652 176.764 176.117 -0.008 0.000 1.104 333 I CA 1.380 62.673 61.300 -0.011 0.000 1.397 333 I CB 0.035 38.025 38.000 -0.017 0.000 1.072 333 I HN 0.566 nan 8.210 nan 0.000 0.417 334 D N 0.803 121.197 120.400 -0.010 0.000 2.364 334 D HA 0.237 4.877 4.640 0.000 0.000 0.251 334 D C -0.150 176.144 176.300 -0.011 0.000 1.282 334 D CA -0.170 53.824 54.000 -0.011 0.000 0.927 334 D CB 0.795 41.584 40.800 -0.018 0.000 1.267 334 D HN 0.111 nan 8.370 nan 0.000 0.531 335 G N 1.091 109.891 108.800 -0.000 0.000 2.365 335 G HA2 0.217 4.177 3.960 0.000 0.000 0.249 335 G HA3 0.217 4.177 3.960 0.000 0.000 0.249 335 G C 1.045 175.943 174.900 -0.002 0.000 1.288 335 G CA -0.381 44.721 45.100 0.004 0.000 0.887 335 G HN 0.350 nan 8.290 nan 0.000 0.524 336 V N 3.594 123.504 119.914 -0.006 0.000 3.570 336 V HA 0.102 4.222 4.120 0.000 0.000 0.293 336 V C 1.923 178.020 176.094 0.004 0.000 1.237 336 V CA 0.366 62.661 62.300 -0.008 0.000 1.226 336 V CB -1.144 30.667 31.823 -0.020 0.000 1.028 336 V HN 0.783 nan 8.190 nan 0.000 0.430 337 G N 0.623 109.428 108.800 0.008 0.000 2.716 337 G HA2 0.249 4.209 3.960 0.000 0.000 0.251 337 G HA3 0.249 4.209 3.960 0.000 0.000 0.251 337 G C -0.345 174.559 174.900 0.008 0.000 1.224 337 G CA -0.348 44.759 45.100 0.011 0.000 0.891 337 G HN 0.471 nan 8.290 nan 0.000 0.561 338 E N -0.364 119.840 120.200 0.008 0.000 2.081 338 E HA 0.246 4.596 4.350 0.000 0.000 0.281 338 E C 0.848 177.451 176.600 0.004 0.000 0.986 338 E CA -0.484 55.919 56.400 0.006 0.000 0.796 338 E CB 1.744 31.448 29.700 0.006 0.000 1.085 338 E HN 0.576 nan 8.360 nan 0.000 0.398 339 E N 3.610 123.811 120.200 0.002 0.000 2.095 339 E HA -0.338 4.012 4.350 0.000 0.000 0.212 339 E C 1.605 178.205 176.600 0.001 0.000 1.044 339 E CA 2.390 58.790 56.400 0.001 0.000 0.857 339 E CB -0.147 29.553 29.700 0.000 0.000 0.764 339 E HN 0.603 nan 8.360 nan 0.000 0.462 340 A N 0.300 123.120 122.820 0.001 0.000 1.933 340 A HA -0.038 4.282 4.320 0.000 0.000 0.218 340 A C 2.430 180.014 177.584 -0.000 0.000 1.175 340 A CA 2.357 54.395 52.037 0.000 0.000 0.628 340 A CB -1.004 17.996 19.000 0.000 0.000 0.814 340 A HN 0.416 nan 8.150 nan 0.000 0.444 341 A N 0.032 122.852 122.820 0.001 0.000 1.902 341 A HA -0.084 4.236 4.320 0.000 0.000 0.217 341 A C 2.115 179.699 177.584 -0.000 0.000 1.181 341 A CA 1.533 53.570 52.037 0.001 0.000 0.623 341 A CB -0.608 18.394 19.000 0.003 0.000 0.818 341 A HN 0.502 nan 8.150 nan 0.000 0.443 342 I N -0.626 119.945 120.570 0.001 0.000 2.226 342 I HA -0.319 3.852 4.170 0.000 0.000 0.245 342 I C 2.756 178.872 176.117 -0.002 0.000 1.100 342 I CA 1.617 62.917 61.300 0.000 0.000 1.374 342 I CB -0.469 37.532 38.000 0.002 0.000 1.057 342 I HN 0.429 nan 8.210 nan 0.000 0.413 343 Q N 0.523 120.322 119.800 -0.002 0.000 2.119 343 Q HA -0.111 4.229 4.340 0.000 0.000 0.201 343 Q C 2.377 178.375 176.000 -0.004 0.000 0.972 343 Q CA 1.484 57.286 55.803 -0.002 0.000 0.847 343 Q CB -0.388 28.349 28.738 -0.002 0.000 0.903 343 Q HN 0.638 nan 8.270 nan 0.000 0.433 344 G N 0.882 109.680 108.800 -0.003 0.000 2.421 344 G HA2 -0.252 3.708 3.960 0.000 0.000 0.216 344 G HA3 -0.252 3.708 3.960 0.000 0.000 0.216 344 G C 1.513 176.409 174.900 -0.006 0.000 1.171 344 G CA 0.341 45.439 45.100 -0.004 0.000 0.775 344 G HN 0.067 nan 8.290 nan 0.000 0.543 345 R N 0.207 120.703 120.500 -0.007 0.000 2.073 345 R HA -0.033 4.307 4.340 0.000 0.000 0.234 345 R C 2.831 179.125 176.300 -0.011 0.000 1.134 345 R CA 1.025 57.119 56.100 -0.010 0.000 0.952 345 R CB -1.263 29.031 30.300 -0.010 0.000 0.850 345 R HN 0.322 nan 8.270 nan 0.000 0.433 346 V N 1.244 121.153 119.914 -0.009 0.000 2.324 346 V HA -0.282 3.838 4.120 0.000 0.000 0.250 346 V C 2.517 178.605 176.094 -0.010 0.000 1.060 346 V CA 2.013 64.307 62.300 -0.010 0.000 1.042 346 V CB -0.942 30.877 31.823 -0.007 0.000 0.650 346 V HN 0.357 nan 8.190 nan 0.000 0.450 347 A N -0.769 122.046 122.820 -0.008 0.000 1.873 347 A HA -0.280 4.040 4.320 0.000 0.000 0.215 347 A C 2.287 179.865 177.584 -0.010 0.000 1.186 347 A CA 1.912 53.944 52.037 -0.008 0.000 0.616 347 A CB -0.565 18.431 19.000 -0.006 0.000 0.823 347 A HN 0.596 nan 8.150 nan 0.000 0.442 348 Q N -0.177 119.617 119.800 -0.010 0.000 2.061 348 Q HA -0.186 4.154 4.340 0.000 0.000 0.204 348 Q C 1.945 177.937 176.000 -0.014 0.000 0.984 348 Q CA 2.066 57.862 55.803 -0.011 0.000 0.846 348 Q CB -0.275 28.456 28.738 -0.012 0.000 0.902 348 Q HN 0.719 nan 8.270 nan 0.000 0.421 349 I N 0.044 120.604 120.570 -0.017 0.000 2.353 349 I HA -0.217 3.954 4.170 0.000 0.000 0.248 349 I C 2.736 178.841 176.117 -0.020 0.000 1.119 349 I CA 0.861 62.148 61.300 -0.021 0.000 1.417 349 I CB -0.414 37.570 38.000 -0.025 0.000 1.078 349 I HN 0.227 nan 8.210 nan 0.000 0.421 350 R N 1.128 121.618 120.500 -0.016 0.000 2.096 350 R HA -0.243 4.097 4.340 0.000 0.000 0.235 350 R C 2.337 178.629 176.300 -0.012 0.000 1.127 350 R CA 1.755 57.846 56.100 -0.014 0.000 0.968 350 R CB -0.214 30.079 30.300 -0.011 0.000 0.861 350 R HN 0.435 nan 8.270 nan 0.000 0.440 351 Q N 0.338 120.131 119.800 -0.011 0.000 2.046 351 Q HA -0.214 4.126 4.340 0.000 0.000 0.200 351 Q C 1.973 177.967 176.000 -0.010 0.000 0.975 351 Q CA 1.663 57.460 55.803 -0.009 0.000 0.836 351 Q CB 0.029 28.762 28.738 -0.008 0.000 0.896 351 Q HN 0.509 nan 8.270 nan 0.000 0.428 352 Q N 0.162 119.954 119.800 -0.013 0.000 2.135 352 Q HA -0.178 4.162 4.340 0.000 0.000 0.204 352 Q C 2.138 178.129 176.000 -0.015 0.000 0.981 352 Q CA 1.653 57.448 55.803 -0.014 0.000 0.856 352 Q CB -0.168 28.559 28.738 -0.019 0.000 0.902 352 Q HN 0.502 nan 8.270 nan 0.000 0.425 353 I N 0.574 121.134 120.570 -0.017 0.000 2.226 353 I HA -0.230 3.940 4.170 0.000 0.000 0.245 353 I C 2.341 178.452 176.117 -0.011 0.000 1.100 353 I CA 0.878 62.168 61.300 -0.017 0.000 1.374 353 I CB -0.312 37.677 38.000 -0.020 0.000 1.057 353 I HN 0.154 nan 8.210 nan 0.000 0.413 354 E N 1.371 121.566 120.200 -0.009 0.000 2.153 354 E HA -0.211 4.139 4.350 0.000 0.000 0.194 354 E C 1.375 177.972 176.600 -0.004 0.000 0.988 354 E CA 1.201 57.597 56.400 -0.006 0.000 0.811 354 E CB -0.063 29.634 29.700 -0.005 0.000 0.746 354 E HN 0.693 nan 8.360 nan 0.000 0.466 355 E N -0.239 119.959 120.200 -0.004 0.000 2.423 355 E HA 0.411 4.761 4.350 0.000 0.000 0.198 355 E C -0.022 176.578 176.600 -0.000 0.000 1.038 355 E CA -0.292 56.107 56.400 -0.002 0.000 1.011 355 E CB 0.490 30.188 29.700 -0.003 0.000 1.118 355 E HN -0.043 nan 8.360 nan 0.000 0.451 356 A N 1.179 123.998 122.820 -0.001 0.000 2.371 356 A HA 0.264 4.584 4.320 0.000 0.000 0.257 356 A C 1.003 178.592 177.584 0.010 0.000 1.089 356 A CA -0.047 51.992 52.037 0.004 0.000 0.794 356 A CB 0.460 19.461 19.000 0.000 0.000 1.029 356 A HN 0.328 nan 8.150 nan 0.000 0.488 357 T N -1.620 112.944 114.554 0.016 0.000 3.129 357 T HA 0.450 4.800 4.350 0.000 0.000 0.267 357 T C 0.197 174.914 174.700 0.027 0.000 1.018 357 T CA 0.376 62.487 62.100 0.018 0.000 0.903 357 T CB -0.873 68.005 68.868 0.016 0.000 1.067 357 T HN 1.499 nan 8.240 nan 0.000 0.549 358 S N -0.831 114.891 115.700 0.037 0.000 2.567 358 S HA 0.365 4.835 4.470 0.000 0.000 0.270 358 S C -0.434 174.204 174.600 0.062 0.000 1.152 358 S CA -0.793 57.439 58.200 0.054 0.000 0.835 358 S CB 1.278 64.523 63.200 0.074 0.000 1.115 358 S HN -0.088 nan 8.310 nan 0.000 0.459 359 D N 0.402 120.844 120.400 0.070 0.000 2.117 359 D HA -0.113 4.527 4.640 0.000 0.000 0.197 359 D C 1.439 177.790 176.300 0.086 0.000 0.987 359 D CA 1.803 55.841 54.000 0.064 0.000 0.829 359 D CB -0.266 40.572 40.800 0.064 0.000 0.961 359 D HN 0.660 nan 8.370 nan 0.000 0.460 360 Y N 2.196 122.495 120.300 -0.001 0.000 2.128 360 Y HA -0.237 4.313 4.550 0.000 0.000 0.284 360 Y C 1.833 177.727 175.900 -0.011 0.000 1.154 360 Y CA 1.784 59.883 58.100 -0.003 0.000 1.149 360 Y CB -0.103 38.357 38.460 -0.000 0.000 0.976 360 Y HN -0.150 nan 8.280 nan 0.000 0.505 361 D N -0.225 120.228 120.400 0.087 0.000 2.084 361 D HA -0.202 4.438 4.640 0.000 0.000 0.194 361 D C 2.298 178.553 176.300 -0.076 0.000 0.990 361 D CA 1.607 55.600 54.000 -0.011 0.000 0.826 361 D CB -0.527 40.298 40.800 0.043 0.000 0.971 361 D HN 0.344 nan 8.370 nan 0.000 0.453 362 R N 0.992 121.470 120.500 -0.037 0.000 2.094 362 R HA -0.190 4.151 4.340 0.000 0.000 0.239 362 R C 1.985 178.242 176.300 -0.072 0.000 1.137 362 R CA 1.670 57.745 56.100 -0.041 0.000 0.943 362 R CB -0.073 30.217 30.300 -0.017 0.000 0.850 362 R HN 0.228 nan 8.270 nan 0.000 0.433 363 E N 0.644 120.790 120.200 -0.091 0.000 2.021 363 E HA -0.277 4.073 4.350 0.000 0.000 0.200 363 E C 2.029 178.539 176.600 -0.150 0.000 1.015 363 E CA 2.305 58.640 56.400 -0.109 0.000 0.824 363 E CB -0.182 29.448 29.700 -0.117 0.000 0.762 363 E HN 0.524 nan 8.360 nan 0.000 0.454 364 K N 0.773 121.019 120.400 -0.257 0.000 2.103 364 K HA -0.146 4.174 4.320 0.000 0.000 0.207 364 K C 2.154 178.662 176.600 -0.153 0.000 1.048 364 K CA 1.134 57.273 56.287 -0.247 0.000 0.930 364 K CB -0.178 32.085 32.500 -0.395 0.000 0.716 364 K HN 0.031 nan 8.250 nan 0.000 0.444 365 L N 2.443 123.588 121.223 -0.130 0.000 2.017 365 L HA -0.186 4.155 4.340 0.000 0.000 0.208 365 L C 2.807 179.639 176.870 -0.064 0.000 1.073 365 L CA 2.159 56.949 54.840 -0.084 0.000 0.745 365 L CB -1.260 40.761 42.059 -0.065 0.000 0.894 365 L HN 0.556 nan 8.230 nan 0.000 0.432 366 Q N -1.074 118.690 119.800 -0.059 0.000 2.369 366 Q HA -0.154 4.186 4.340 0.000 0.000 0.206 366 Q C 1.538 177.515 176.000 -0.039 0.000 0.963 366 Q CA 0.873 56.651 55.803 -0.042 0.000 0.894 366 Q CB -0.226 28.492 28.738 -0.033 0.000 0.965 366 Q HN 0.532 nan 8.270 nan 0.000 0.475 367 E N 1.232 121.401 120.200 -0.052 0.000 2.150 367 E HA -0.098 4.252 4.350 0.000 0.000 0.193 367 E C 2.033 178.615 176.600 -0.031 0.000 0.985 367 E CA 0.663 57.039 56.400 -0.040 0.000 0.814 367 E CB 0.104 29.773 29.700 -0.053 0.000 0.752 367 E HN 0.372 nan 8.360 nan 0.000 0.466 368 R N 0.413 120.887 120.500 -0.043 0.000 2.062 368 R HA -0.096 4.244 4.340 0.000 0.000 0.229 368 R C 2.701 178.987 176.300 -0.023 0.000 1.128 368 R CA 1.396 57.475 56.100 -0.036 0.000 0.960 368 R CB -0.456 29.814 30.300 -0.051 0.000 0.855 368 R HN 0.164 nan 8.270 nan 0.000 0.432 369 V N -1.394 118.506 119.914 -0.025 0.000 2.515 369 V HA -0.076 4.044 4.120 0.000 0.000 0.250 369 V C 2.229 178.317 176.094 -0.010 0.000 1.058 369 V CA 1.700 63.990 62.300 -0.017 0.000 1.064 369 V CB -0.858 30.954 31.823 -0.018 0.000 0.675 369 V HN 0.252 nan 8.190 nan 0.000 0.461 370 A N 0.788 123.602 122.820 -0.010 0.000 1.902 370 A HA -0.178 4.142 4.320 0.000 0.000 0.217 370 A C 2.333 179.919 177.584 0.004 0.000 1.181 370 A CA 2.218 54.253 52.037 -0.004 0.000 0.623 370 A CB -0.565 18.432 19.000 -0.004 0.000 0.818 370 A HN 0.626 nan 8.150 nan 0.000 0.443 371 K N -0.532 119.872 120.400 0.008 0.000 2.002 371 K HA -0.033 4.287 4.320 0.000 0.000 0.209 371 K C 1.990 178.602 176.600 0.020 0.000 1.048 371 K CA 1.379 57.679 56.287 0.022 0.000 0.930 371 K CB -0.395 32.125 32.500 0.034 0.000 0.714 371 K HN 0.437 nan 8.250 nan 0.000 0.438 372 L N 0.450 121.680 121.223 0.011 0.000 1.988 372 L HA -0.157 4.183 4.340 0.000 0.000 0.207 372 L C 2.493 179.367 176.870 0.006 0.000 1.071 372 L CA 1.231 56.076 54.840 0.009 0.000 0.744 372 L CB -0.460 41.600 42.059 0.001 0.000 0.893 372 L HN 0.221 nan 8.230 nan 0.000 0.433 373 A N -0.389 122.432 122.820 0.002 0.000 2.168 373 A HA -0.024 4.296 4.320 0.000 0.000 0.215 373 A C 2.208 179.794 177.584 0.002 0.000 1.152 373 A CA 1.248 53.285 52.037 0.001 0.000 0.716 373 A CB -0.822 18.177 19.000 -0.002 0.000 0.794 373 A HN 0.496 nan 8.150 nan 0.000 0.465 374 G N -0.626 108.177 108.800 0.005 0.000 2.395 374 G HA2 0.372 4.332 3.960 0.000 0.000 0.214 374 G HA3 0.372 4.332 3.960 0.000 0.000 0.214 374 G C 1.133 176.036 174.900 0.006 0.000 1.177 374 G CA 0.648 45.752 45.100 0.005 0.000 0.794 374 G HN 1.678 nan 8.290 nan 0.000 0.532 375 G N -1.698 107.107 108.800 0.009 0.000 2.828 375 G HA2 0.028 3.988 3.960 0.000 0.000 0.463 375 G HA3 0.028 3.988 3.960 0.000 0.000 0.463 375 G C -0.662 174.242 174.900 0.006 0.000 1.394 375 G CA -0.339 44.765 45.100 0.007 0.000 0.862 375 G HN 1.003 nan 8.290 nan 0.000 0.540 376 V N 0.456 120.371 119.914 0.003 0.000 2.495 376 V HA 0.741 4.861 4.120 0.000 0.000 0.298 376 V C 0.811 176.902 176.094 -0.005 0.000 1.031 376 V CA -0.066 62.233 62.300 -0.001 0.000 0.871 376 V CB 1.495 33.317 31.823 -0.003 0.000 0.988 376 V HN 2.039 nan 8.190 nan 0.000 0.432 377 A N 4.785 127.601 122.820 -0.006 0.000 2.269 377 A HA 0.694 5.014 4.320 0.000 0.000 0.302 377 A C -0.425 177.151 177.584 -0.013 0.000 1.266 377 A CA -0.333 51.698 52.037 -0.009 0.000 0.894 377 A CB 0.472 19.466 19.000 -0.010 0.000 1.147 377 A HN 0.698 nan 8.150 nan 0.000 0.537 378 V N 5.062 124.968 119.914 -0.013 0.000 2.370 378 V HA 0.281 4.402 4.120 0.000 0.000 0.279 378 V C 0.048 176.131 176.094 -0.017 0.000 1.029 378 V CA -0.143 62.148 62.300 -0.016 0.000 0.870 378 V CB 0.953 32.767 31.823 -0.014 0.000 0.984 378 V HN 0.728 nan 8.190 nan 0.000 0.451 379 I N 5.913 126.470 120.570 -0.021 0.000 2.331 379 I HA 0.401 4.571 4.170 0.000 0.000 0.292 379 I C 0.076 176.180 176.117 -0.021 0.000 0.998 379 I CA -0.559 60.727 61.300 -0.023 0.000 1.267 379 I CB 1.116 39.099 38.000 -0.029 0.000 1.386 379 I HN 0.415 nan 8.210 nan 0.000 0.476 380 K N 6.723 127.112 120.400 -0.018 0.000 2.334 380 K HA 0.351 4.671 4.320 0.000 0.000 0.265 380 K C -0.762 175.828 176.600 -0.016 0.000 1.039 380 K CA -0.654 55.623 56.287 -0.016 0.000 0.920 380 K CB 1.843 34.334 32.500 -0.014 0.000 1.160 380 K HN 0.301 nan 8.250 nan 0.000 0.451 381 V N 2.833 122.737 119.914 -0.017 0.000 2.397 381 V HA 0.148 4.268 4.120 0.000 0.000 0.262 381 V C 1.049 177.135 176.094 -0.013 0.000 1.047 381 V CA -0.343 61.948 62.300 -0.016 0.000 1.003 381 V CB 0.424 32.236 31.823 -0.018 0.000 1.037 381 V HN 0.783 nan 8.190 nan 0.000 0.480 382 G N 3.430 112.223 108.800 -0.012 0.000 2.462 382 G HA2 0.818 4.779 3.960 0.000 0.000 0.319 382 G HA3 0.818 4.779 3.960 0.000 0.000 0.319 382 G C -0.382 174.513 174.900 -0.009 0.000 1.171 382 G CA 0.185 45.279 45.100 -0.010 0.000 0.920 382 G HN 1.162 nan 8.290 nan 0.000 0.499 383 A N -0.924 121.891 122.820 -0.008 0.000 2.511 383 A HA 0.770 5.090 4.320 0.000 0.000 0.293 383 A C 0.786 178.366 177.584 -0.006 0.000 1.098 383 A CA 0.437 52.470 52.037 -0.007 0.000 0.643 383 A CB 0.346 19.342 19.000 -0.007 0.000 1.302 383 A HN 1.784 nan 8.150 nan 0.000 0.446 384 A N -0.655 122.162 122.820 -0.005 0.000 1.975 384 A HA 0.447 4.768 4.320 0.000 0.000 0.215 384 A C 1.229 178.811 177.584 -0.004 0.000 1.170 384 A CA 2.276 54.310 52.037 -0.005 0.000 0.656 384 A CB -0.516 18.482 19.000 -0.004 0.000 0.821 384 A HN 2.168 nan 8.150 nan 0.000 0.449 385 T N -4.409 110.143 114.554 -0.004 0.000 2.906 385 T HA 0.461 4.812 4.350 0.000 0.000 0.295 385 T C 0.378 175.076 174.700 -0.004 0.000 1.061 385 T CA 0.036 62.134 62.100 -0.003 0.000 1.000 385 T CB 1.904 70.770 68.868 -0.003 0.000 1.103 385 T HN 0.231 nan 8.240 nan 0.000 0.486 386 E N 0.535 120.733 120.200 -0.003 0.000 2.160 386 E HA -0.137 4.214 4.350 0.000 0.000 0.195 386 E C 1.725 178.324 176.600 -0.003 0.000 0.991 386 E CA 1.355 57.754 56.400 -0.003 0.000 0.810 386 E CB -0.150 29.548 29.700 -0.002 0.000 0.742 386 E HN 0.577 nan 8.360 nan 0.000 0.466 387 V N 1.044 120.957 119.914 -0.002 0.000 2.270 387 V HA -0.244 3.876 4.120 0.000 0.000 0.245 387 V C 2.094 178.186 176.094 -0.003 0.000 1.043 387 V CA 2.162 64.461 62.300 -0.002 0.000 1.014 387 V CB -0.635 31.188 31.823 -0.001 0.000 0.645 387 V HN 0.264 nan 8.190 nan 0.000 0.447 388 E N -0.166 120.032 120.200 -0.004 0.000 2.058 388 E HA -0.274 4.076 4.350 0.000 0.000 0.194 388 E C 2.236 178.832 176.600 -0.006 0.000 0.997 388 E CA 1.702 58.099 56.400 -0.005 0.000 0.801 388 E CB -0.311 29.386 29.700 -0.005 0.000 0.746 388 E HN 0.421 nan 8.360 nan 0.000 0.450 389 M N 1.145 120.741 119.600 -0.006 0.000 2.082 389 M HA -0.215 4.265 4.480 0.000 0.000 0.258 389 M C 1.690 177.985 176.300 -0.008 0.000 1.069 389 M CA 1.692 56.988 55.300 -0.008 0.000 1.102 389 M CB -0.238 32.358 32.600 -0.007 0.000 1.336 389 M HN -0.110 nan 8.290 nan 0.000 0.404 390 K N 0.588 120.984 120.400 -0.006 0.000 2.097 390 K HA -0.120 4.200 4.320 0.000 0.000 0.206 390 K C 1.883 178.479 176.600 -0.006 0.000 1.049 390 K CA 1.514 57.797 56.287 -0.006 0.000 0.933 390 K CB -0.515 31.983 32.500 -0.004 0.000 0.717 390 K HN 0.595 nan 8.250 nan 0.000 0.442 391 E N 0.564 120.761 120.200 -0.006 0.000 2.046 391 E HA -0.139 4.211 4.350 0.000 0.000 0.190 391 E C 2.097 178.692 176.600 -0.008 0.000 0.982 391 E CA 0.877 57.274 56.400 -0.006 0.000 0.800 391 E CB -0.025 29.672 29.700 -0.005 0.000 0.756 391 E HN 0.217 nan 8.360 nan 0.000 0.449 392 K N 1.744 122.138 120.400 -0.010 0.000 2.057 392 K HA -0.217 4.103 4.320 0.000 0.000 0.207 392 K C 2.187 178.777 176.600 -0.017 0.000 1.049 392 K CA 1.364 57.643 56.287 -0.013 0.000 0.931 392 K CB 0.009 32.501 32.500 -0.013 0.000 0.714 392 K HN -0.108 nan 8.250 nan 0.000 0.440 393 K N 0.197 120.587 120.400 -0.016 0.000 2.063 393 K HA -0.180 4.140 4.320 0.000 0.000 0.208 393 K C 1.947 178.534 176.600 -0.022 0.000 1.048 393 K CA 1.412 57.687 56.287 -0.020 0.000 0.928 393 K CB -0.218 32.272 32.500 -0.016 0.000 0.713 393 K HN 0.244 nan 8.250 nan 0.000 0.442 394 A N 1.401 124.213 122.820 -0.014 0.000 1.877 394 A HA -0.163 4.157 4.320 0.000 0.000 0.216 394 A C 2.115 179.690 177.584 -0.015 0.000 1.186 394 A CA 1.473 53.504 52.037 -0.009 0.000 0.620 394 A CB -0.503 18.495 19.000 -0.003 0.000 0.822 394 A HN 0.333 nan 8.150 nan 0.000 0.443 395 R N -0.716 119.774 120.500 -0.016 0.000 2.091 395 R HA -0.105 4.235 4.340 0.000 0.000 0.238 395 R C 2.058 178.338 176.300 -0.034 0.000 1.136 395 R CA 1.548 57.637 56.100 -0.019 0.000 0.959 395 R CB -0.566 29.725 30.300 -0.016 0.000 0.856 395 R HN 0.414 nan 8.270 nan 0.000 0.437 396 V N 1.284 121.173 119.914 -0.042 0.000 2.343 396 V HA -0.233 3.887 4.120 0.000 0.000 0.247 396 V C 1.964 177.995 176.094 -0.105 0.000 1.051 396 V CA 1.835 64.098 62.300 -0.061 0.000 1.036 396 V CB -0.427 31.364 31.823 -0.053 0.000 0.654 396 V HN 0.379 nan 8.190 nan 0.000 0.451 397 E N -0.105 120.031 120.200 -0.108 0.000 2.077 397 E HA -0.221 4.130 4.350 0.000 0.000 0.193 397 E C 1.953 178.403 176.600 -0.251 0.000 0.989 397 E CA 1.454 57.739 56.400 -0.193 0.000 0.800 397 E CB -0.195 29.456 29.700 -0.082 0.000 0.746 397 E HN 0.602 nan 8.360 nan 0.000 0.452 398 D N 0.687 121.042 120.400 -0.075 0.000 2.084 398 D HA -0.119 4.521 4.640 0.000 0.000 0.196 398 D C 1.982 178.266 176.300 -0.027 0.000 0.985 398 D CA 1.423 55.426 54.000 0.004 0.000 0.826 398 D CB -0.427 40.386 40.800 0.022 0.000 0.978 398 D HN 0.148 nan 8.370 nan 0.000 0.456 399 A N 0.853 123.645 122.820 -0.047 0.000 1.940 399 A HA -0.174 4.146 4.320 0.000 0.000 0.219 399 A C 2.157 179.705 177.584 -0.060 0.000 1.176 399 A CA 1.154 53.168 52.037 -0.038 0.000 0.631 399 A CB -0.766 18.213 19.000 -0.036 0.000 0.814 399 A HN 0.238 nan 8.150 nan 0.000 0.446 400 L N -0.431 120.710 121.223 -0.137 0.000 2.042 400 L HA -0.187 4.153 4.340 0.000 0.000 0.210 400 L C 2.228 179.027 176.870 -0.117 0.000 1.076 400 L CA 2.523 57.264 54.840 -0.166 0.000 0.749 400 L CB -0.957 40.942 42.059 -0.267 0.000 0.893 400 L HN 0.602 nan 8.230 nan 0.000 0.432 401 H N -1.287 117.781 119.070 -0.004 0.000 2.357 401 H HA 0.009 4.565 4.556 0.000 0.000 0.301 401 H C 2.168 177.497 175.328 0.000 0.000 1.082 401 H CA 0.934 56.981 56.048 -0.003 0.000 1.342 401 H CB -0.108 29.652 29.762 -0.004 0.000 1.389 401 H HN 0.500 nan 8.280 nan 0.000 0.511 402 A N 0.388 123.273 122.820 0.109 0.000 1.902 402 A HA -0.192 4.128 4.320 0.000 0.000 0.217 402 A C 2.328 179.937 177.584 0.041 0.000 1.181 402 A CA 2.094 54.168 52.037 0.063 0.000 0.623 402 A CB -0.892 18.131 19.000 0.039 0.000 0.818 402 A HN 0.376 nan 8.150 nan 0.000 0.443 403 T N -0.706 113.864 114.554 0.026 0.000 2.777 403 T HA -0.110 4.241 4.350 0.000 0.000 0.266 403 T C 2.107 176.821 174.700 0.023 0.000 1.040 403 T CA 1.575 63.684 62.100 0.015 0.000 1.141 403 T CB -0.215 68.653 68.868 -0.001 0.000 0.868 403 T HN 0.494 nan 8.240 nan 0.000 0.444 404 R N 2.121 122.641 120.500 0.034 0.000 2.081 404 R HA 0.094 4.434 4.340 0.000 0.000 0.235 404 R C 2.327 178.651 176.300 0.039 0.000 1.131 404 R CA 1.813 57.937 56.100 0.039 0.000 0.960 404 R CB -1.081 29.256 30.300 0.061 0.000 0.856 404 R HN 0.334 nan 8.270 nan 0.000 0.436 405 A N 0.119 122.967 122.820 0.047 0.000 1.933 405 A HA 0.013 4.333 4.320 0.000 0.000 0.218 405 A C 2.353 179.954 177.584 0.029 0.000 1.175 405 A CA 1.685 53.745 52.037 0.038 0.000 0.628 405 A CB -0.929 18.096 19.000 0.042 0.000 0.814 405 A HN 0.491 nan 8.150 nan 0.000 0.444 406 A N -0.002 122.834 122.820 0.027 0.000 1.898 406 A HA 0.022 4.342 4.320 0.000 0.000 0.216 406 A C 2.324 179.918 177.584 0.017 0.000 1.181 406 A CA 2.005 54.054 52.037 0.020 0.000 0.620 406 A CB -1.189 17.821 19.000 0.017 0.000 0.819 406 A HN 1.146 nan 8.150 nan 0.000 0.442 407 V N -1.910 118.014 119.914 0.017 0.000 2.427 407 V HA -0.216 3.904 4.120 0.000 0.000 0.248 407 V C 1.859 177.962 176.094 0.014 0.000 1.051 407 V CA 2.303 64.611 62.300 0.014 0.000 1.048 407 V CB -0.994 30.836 31.823 0.012 0.000 0.666 407 V HN 0.599 nan 8.190 nan 0.000 0.456 408 E N 0.665 120.876 120.200 0.017 0.000 2.047 408 E HA -0.135 4.215 4.350 0.000 0.000 0.191 408 E C 1.705 178.314 176.600 0.015 0.000 0.987 408 E CA 1.760 58.170 56.400 0.017 0.000 0.799 408 E CB -0.046 29.666 29.700 0.020 0.000 0.752 408 E HN 0.776 nan 8.360 nan 0.000 0.449 409 E N -0.785 119.424 120.200 0.015 0.000 2.759 409 E HA 0.243 4.593 4.350 0.000 0.000 0.220 409 E C 0.120 176.728 176.600 0.013 0.000 0.974 409 E CA 0.079 56.487 56.400 0.013 0.000 1.148 409 E CB 1.634 31.342 29.700 0.013 0.000 1.059 409 E HN 0.248 nan 8.360 nan 0.000 0.493 410 G N 0.607 109.416 108.800 0.014 0.000 2.615 410 G HA2 -0.203 3.757 3.960 0.000 0.000 0.218 410 G HA3 -0.203 3.757 3.960 0.000 0.000 0.218 410 G C -0.894 174.015 174.900 0.015 0.000 1.339 410 G CA -0.382 44.726 45.100 0.013 0.000 0.884 410 G HN 0.148 nan 8.290 nan 0.000 0.559 411 V N -0.338 119.585 119.914 0.015 0.000 3.007 411 V HA 0.831 4.951 4.120 0.000 0.000 0.311 411 V C 0.120 176.224 176.094 0.016 0.000 1.120 411 V CA 0.230 62.539 62.300 0.015 0.000 0.980 411 V CB 2.010 33.841 31.823 0.014 0.000 1.033 411 V HN 2.114 nan 8.190 nan 0.000 0.429 412 V N 1.722 121.647 119.914 0.017 0.000 3.130 412 V HA 0.955 5.075 4.120 0.000 0.000 0.310 412 V C 0.100 176.205 176.094 0.018 0.000 1.158 412 V CA -0.841 61.470 62.300 0.019 0.000 1.029 412 V CB 1.593 33.428 31.823 0.019 0.000 1.057 412 V HN 1.532 nan 8.190 nan 0.000 0.436 413 A N 1.487 124.320 122.820 0.021 0.000 2.553 413 A HA 0.546 4.866 4.320 0.000 0.000 0.258 413 A C 0.973 178.565 177.584 0.014 0.000 1.069 413 A CA 0.829 52.877 52.037 0.019 0.000 0.767 413 A CB -0.875 18.141 19.000 0.026 0.000 0.997 413 A HN 1.997 nan 8.150 nan 0.000 0.512 414 G N 1.211 110.016 108.800 0.008 0.000 2.489 414 G HA2 0.522 4.483 3.960 0.000 0.000 0.271 414 G HA3 0.522 4.483 3.960 0.000 0.000 0.271 414 G C 1.188 176.092 174.900 0.005 0.000 1.427 414 G CA -0.054 45.050 45.100 0.006 0.000 1.057 414 G HN 2.264 nan 8.290 nan 0.000 0.532 415 G N -2.195 106.608 108.800 0.005 0.000 2.179 415 G HA2 0.226 4.186 3.960 0.000 0.000 0.257 415 G HA3 0.226 4.186 3.960 0.000 0.000 0.257 415 G C 1.454 176.365 174.900 0.019 0.000 1.010 415 G CA 1.116 46.223 45.100 0.011 0.000 0.736 415 G HN 2.489 nan 8.290 nan 0.000 0.513 416 G N -2.872 105.937 108.800 0.016 0.000 2.153 416 G HA2 -0.167 3.793 3.960 0.000 0.000 0.252 416 G HA3 -0.167 3.793 3.960 0.000 0.000 0.252 416 G C 1.180 176.091 174.900 0.018 0.000 0.994 416 G CA 1.073 46.183 45.100 0.016 0.000 0.698 416 G HN 1.482 nan 8.290 nan 0.000 0.521 417 V N 0.043 119.969 119.914 0.019 0.000 2.599 417 V HA 0.174 4.294 4.120 0.000 0.000 0.245 417 V C 3.088 179.198 176.094 0.027 0.000 1.046 417 V CA 2.375 64.688 62.300 0.022 0.000 1.065 417 V CB -0.643 31.189 31.823 0.015 0.000 0.703 417 V HN 0.784 nan 8.190 nan 0.000 0.464 418 A N 0.312 123.146 122.820 0.025 0.000 1.883 418 A HA -0.186 4.134 4.320 0.000 0.000 0.217 418 A C 2.223 179.822 177.584 0.025 0.000 1.186 418 A CA 1.907 53.960 52.037 0.026 0.000 0.624 418 A CB -0.598 18.416 19.000 0.023 0.000 0.822 418 A HN 0.480 nan 8.150 nan 0.000 0.444 419 L N -1.014 120.221 121.223 0.021 0.000 2.046 419 L HA -0.114 4.227 4.340 0.000 0.000 0.208 419 L C 2.490 179.372 176.870 0.021 0.000 1.077 419 L CA 1.370 56.222 54.840 0.019 0.000 0.747 419 L CB -0.323 41.747 42.059 0.017 0.000 0.896 419 L HN 0.476 nan 8.230 nan 0.000 0.432 420 I N -0.640 119.944 120.570 0.023 0.000 2.676 420 I HA -0.238 3.932 4.170 0.000 0.000 0.259 420 I C 2.639 178.777 176.117 0.034 0.000 1.194 420 I CA 0.562 61.878 61.300 0.026 0.000 1.473 420 I CB 0.065 38.080 38.000 0.025 0.000 1.096 420 I HN 0.188 nan 8.210 nan 0.000 0.443 421 R N 0.638 121.161 120.500 0.037 0.000 2.055 421 R HA -0.129 4.211 4.340 0.000 0.000 0.228 421 R C 2.275 178.596 176.300 0.035 0.000 1.143 421 R CA 2.302 58.428 56.100 0.045 0.000 0.945 421 R CB -0.826 29.503 30.300 0.049 0.000 0.841 421 R HN 0.343 nan 8.270 nan 0.000 0.429 422 V N -0.810 119.121 119.914 0.028 0.000 2.469 422 V HA -0.109 4.011 4.120 0.000 0.000 0.251 422 V C 2.096 178.201 176.094 0.019 0.000 1.064 422 V CA 1.881 64.195 62.300 0.022 0.000 1.066 422 V CB -1.229 30.604 31.823 0.017 0.000 0.667 422 V HN 0.374 nan 8.190 nan 0.000 0.461 423 A N 1.735 124.566 122.820 0.020 0.000 1.898 423 A HA -0.130 4.190 4.320 0.000 0.000 0.216 423 A C 2.566 180.161 177.584 0.018 0.000 1.181 423 A CA 2.393 54.440 52.037 0.017 0.000 0.620 423 A CB -1.064 17.946 19.000 0.017 0.000 0.819 423 A HN 0.941 nan 8.150 nan 0.000 0.442 424 S N 0.252 115.966 115.700 0.024 0.000 2.419 424 S HA -0.164 4.306 4.470 0.000 0.000 0.233 424 S C 1.733 176.345 174.600 0.020 0.000 1.016 424 S CA 1.414 59.628 58.200 0.024 0.000 0.974 424 S CB -0.297 62.923 63.200 0.033 0.000 0.786 424 S HN 0.649 nan 8.310 nan 0.000 0.492 425 K N 1.423 121.835 120.400 0.020 0.000 2.031 425 K HA 0.161 4.481 4.320 0.000 0.000 0.205 425 K C 1.396 178.004 176.600 0.013 0.000 1.049 425 K CA 0.951 57.248 56.287 0.017 0.000 0.939 425 K CB -0.464 32.047 32.500 0.017 0.000 0.717 425 K HN 0.361 nan 8.250 nan 0.000 0.438 426 L N 1.334 122.564 121.223 0.012 0.000 2.762 426 L HA 0.057 4.397 4.340 0.000 0.000 0.250 426 L C 1.765 178.640 176.870 0.008 0.000 1.160 426 L CA -0.373 54.473 54.840 0.009 0.000 0.951 426 L CB -0.613 41.451 42.059 0.008 0.000 1.148 426 L HN 0.164 nan 8.230 nan 0.000 0.424 427 A N -0.466 122.359 122.820 0.009 0.000 2.121 427 A HA -0.129 4.191 4.320 0.000 0.000 0.218 427 A C 1.584 179.172 177.584 0.006 0.000 1.154 427 A CA 1.147 53.188 52.037 0.008 0.000 0.679 427 A CB -0.132 18.873 19.000 0.009 0.000 0.795 427 A HN 0.375 nan 8.150 nan 0.000 0.458 428 D N -1.087 119.317 120.400 0.006 0.000 2.398 428 D HA 0.152 4.792 4.640 0.000 0.000 0.210 428 D C 0.084 176.386 176.300 0.004 0.000 1.094 428 D CA -0.252 53.751 54.000 0.004 0.000 0.839 428 D CB 0.148 40.950 40.800 0.004 0.000 0.963 428 D HN 0.323 nan 8.370 nan 0.000 0.506 429 L N 1.909 123.135 121.223 0.004 0.000 2.490 429 L HA 0.103 4.444 4.340 0.000 0.000 0.274 429 L C 0.198 177.070 176.870 0.003 0.000 1.201 429 L CA 0.637 55.479 54.840 0.004 0.000 0.869 429 L CB 0.164 42.225 42.059 0.004 0.000 1.123 429 L HN -0.197 nan 8.230 nan 0.000 0.484 430 R N 2.879 123.381 120.500 0.003 0.000 2.869 430 R HA 0.792 5.132 4.340 0.000 0.000 0.263 430 R C -0.415 175.886 176.300 0.002 0.000 1.066 430 R CA -0.430 55.672 56.100 0.003 0.000 0.960 430 R CB 1.288 31.590 30.300 0.002 0.000 1.221 430 R HN 0.795 nan 8.270 nan 0.000 0.474 431 G N -0.637 108.164 108.800 0.002 0.000 3.105 431 G HA2 0.257 4.217 3.960 0.000 0.000 0.277 431 G HA3 0.257 4.217 3.960 0.000 0.000 0.277 431 G C -0.053 174.848 174.900 0.002 0.000 1.375 431 G CA -0.421 44.680 45.100 0.002 0.000 0.962 431 G HN 0.380 nan 8.290 nan 0.000 0.541 432 Q N -0.633 119.168 119.800 0.002 0.000 2.297 432 Q HA -0.045 4.295 4.340 0.000 0.000 0.208 432 Q C 0.376 176.377 176.000 0.002 0.000 0.981 432 Q CA 1.665 57.469 55.803 0.002 0.000 0.876 432 Q CB -0.189 28.550 28.738 0.002 0.000 0.921 432 Q HN 0.617 nan 8.270 nan 0.000 0.446 433 N N -2.980 115.722 118.700 0.002 0.000 3.227 433 N HA 0.020 4.761 4.740 0.000 0.000 0.241 433 N C -0.238 175.273 175.510 0.002 0.000 1.480 433 N CA -0.541 52.510 53.050 0.002 0.000 0.886 433 N CB 0.423 38.911 38.487 0.002 0.000 1.406 433 N HN -0.247 nan 8.380 nan 0.000 0.514 434 E N -0.234 119.968 120.200 0.002 0.000 2.085 434 E HA -0.159 4.191 4.350 0.000 0.000 0.194 434 E C 0.496 177.097 176.600 0.003 0.000 0.994 434 E CA 1.859 58.261 56.400 0.002 0.000 0.801 434 E CB -0.344 29.357 29.700 0.002 0.000 0.743 434 E HN 0.592 nan 8.360 nan 0.000 0.453 435 D N 0.149 120.551 120.400 0.003 0.000 2.104 435 D HA -0.169 4.471 4.640 0.000 0.000 0.194 435 D C 1.939 178.241 176.300 0.004 0.000 0.994 435 D CA 1.148 55.150 54.000 0.003 0.000 0.830 435 D CB -0.305 40.497 40.800 0.004 0.000 0.959 435 D HN 0.381 nan 8.370 nan 0.000 0.452 436 Q N 0.110 119.912 119.800 0.003 0.000 2.181 436 Q HA -0.135 4.205 4.340 0.000 0.000 0.205 436 Q C 1.807 177.809 176.000 0.003 0.000 0.980 436 Q CA 0.945 56.750 55.803 0.003 0.000 0.862 436 Q CB -0.293 28.447 28.738 0.003 0.000 0.905 436 Q HN 0.474 nan 8.270 nan 0.000 0.429 437 N N 0.149 118.851 118.700 0.003 0.000 2.106 437 N HA -0.135 4.606 4.740 0.000 0.000 0.188 437 N C 2.009 177.521 175.510 0.004 0.000 1.029 437 N CA 1.206 54.258 53.050 0.003 0.000 0.848 437 N CB -0.096 38.393 38.487 0.003 0.000 1.007 437 N HN 0.128 nan 8.380 nan 0.000 0.423 438 V N 0.244 120.160 119.914 0.004 0.000 2.594 438 V HA -0.029 4.091 4.120 0.000 0.000 0.253 438 V C 1.970 178.066 176.094 0.005 0.000 1.069 438 V CA 2.121 64.423 62.300 0.004 0.000 1.082 438 V CB -1.157 30.669 31.823 0.004 0.000 0.680 438 V HN 0.280 nan 8.190 nan 0.000 0.469 439 G N 0.378 109.181 108.800 0.005 0.000 2.421 439 G HA2 -0.211 3.749 3.960 0.000 0.000 0.216 439 G HA3 -0.211 3.749 3.960 0.000 0.000 0.216 439 G C 1.550 176.453 174.900 0.005 0.000 1.171 439 G CA 1.326 46.429 45.100 0.005 0.000 0.775 439 G HN 0.565 nan 8.290 nan 0.000 0.543 440 I N 0.315 120.887 120.570 0.004 0.000 2.179 440 I HA -0.153 4.017 4.170 0.000 0.000 0.242 440 I C 2.762 178.882 176.117 0.005 0.000 1.088 440 I CA 1.045 62.348 61.300 0.004 0.000 1.357 440 I CB -0.108 37.895 38.000 0.004 0.000 1.051 440 I HN 0.000 nan 8.210 nan 0.000 0.409 441 K N 0.589 120.992 120.400 0.005 0.000 2.063 441 K HA -0.109 4.211 4.320 0.000 0.000 0.208 441 K C 2.133 178.736 176.600 0.006 0.000 1.048 441 K CA 1.048 57.338 56.287 0.005 0.000 0.928 441 K CB -0.912 31.591 32.500 0.005 0.000 0.713 441 K HN 0.193 nan 8.250 nan 0.000 0.442 442 V N 1.669 121.587 119.914 0.006 0.000 2.282 442 V HA -0.301 3.819 4.120 0.000 0.000 0.249 442 V C 2.457 178.556 176.094 0.007 0.000 1.057 442 V CA 2.178 64.481 62.300 0.006 0.000 1.032 442 V CB -0.810 31.017 31.823 0.007 0.000 0.645 442 V HN 0.339 nan 8.190 nan 0.000 0.447 443 A N -0.569 122.256 122.820 0.007 0.000 1.898 443 A HA -0.100 4.220 4.320 0.000 0.000 0.216 443 A C 2.184 179.773 177.584 0.008 0.000 1.181 443 A CA 1.595 53.637 52.037 0.008 0.000 0.620 443 A CB -0.467 18.537 19.000 0.006 0.000 0.819 443 A HN 0.504 nan 8.150 nan 0.000 0.442 444 L N -1.042 120.186 121.223 0.008 0.000 2.046 444 L HA -0.174 4.166 4.340 0.000 0.000 0.208 444 L C 2.805 179.680 176.870 0.009 0.000 1.077 444 L CA 1.814 56.659 54.840 0.009 0.000 0.747 444 L CB -0.519 41.545 42.059 0.008 0.000 0.896 444 L HN 0.459 nan 8.230 nan 0.000 0.432 445 R N 0.490 120.995 120.500 0.008 0.000 2.092 445 R HA -0.130 4.210 4.340 0.000 0.000 0.231 445 R C 2.291 178.595 176.300 0.007 0.000 1.119 445 R CA 1.245 57.349 56.100 0.007 0.000 0.970 445 R CB -0.160 30.144 30.300 0.006 0.000 0.864 445 R HN 0.326 nan 8.270 nan 0.000 0.440 446 A N 0.688 123.513 122.820 0.008 0.000 2.015 446 A HA -0.107 4.213 4.320 0.000 0.000 0.219 446 A C 2.030 179.621 177.584 0.010 0.000 1.163 446 A CA 1.124 53.167 52.037 0.009 0.000 0.646 446 A CB -0.334 18.673 19.000 0.011 0.000 0.806 446 A HN 0.347 nan 8.150 nan 0.000 0.448 447 M N -0.637 118.969 119.600 0.011 0.000 2.632 447 M HA -0.087 4.393 4.480 0.000 0.000 0.256 447 M C 1.255 177.562 176.300 0.012 0.000 1.080 447 M CA 0.959 56.266 55.300 0.012 0.000 1.084 447 M CB -0.187 32.421 32.600 0.013 0.000 1.439 447 M HN 0.475 nan 8.290 nan 0.000 0.509 448 E N 0.024 120.229 120.200 0.009 0.000 2.447 448 E HA 0.079 4.429 4.350 0.000 0.000 0.195 448 E C 2.034 178.635 176.600 0.002 0.000 1.028 448 E CA 0.307 56.710 56.400 0.006 0.000 0.876 448 E CB 0.159 29.862 29.700 0.005 0.000 0.885 448 E HN 0.452 nan 8.360 nan 0.000 0.500 449 A N 2.544 125.366 122.820 0.004 0.000 1.873 449 A HA -0.149 4.171 4.320 0.000 0.000 0.218 449 A C -0.302 177.284 177.584 0.002 0.000 1.193 449 A CA 1.412 53.450 52.037 0.003 0.000 0.629 449 A CB -1.495 17.509 19.000 0.006 0.000 0.826 449 A HN 0.114 nan 8.150 nan 0.000 0.447 450 P HA -0.166 nan 4.420 nan 0.000 0.214 450 P C 1.762 179.064 177.300 0.004 0.000 1.163 450 P CA 1.176 64.281 63.100 0.007 0.000 0.889 450 P CB -0.112 31.595 31.700 0.011 0.000 0.790 451 L N -0.348 120.876 121.223 0.002 0.000 2.017 451 L HA -0.151 4.189 4.340 0.000 0.000 0.208 451 L C 2.335 179.190 176.870 -0.024 0.000 1.073 451 L CA 1.880 56.717 54.840 -0.005 0.000 0.745 451 L CB -0.742 41.313 42.059 -0.006 0.000 0.894 451 L HN -0.207 nan 8.230 nan 0.000 0.432 452 R N -1.043 119.441 120.500 -0.026 0.000 2.105 452 R HA -0.211 4.129 4.340 0.000 0.000 0.239 452 R C 2.300 178.583 176.300 -0.027 0.000 1.135 452 R CA 1.429 57.507 56.100 -0.036 0.000 0.967 452 R CB -0.465 29.820 30.300 -0.024 0.000 0.861 452 R HN 0.408 nan 8.270 nan 0.000 0.442 453 Q N 1.284 121.076 119.800 -0.013 0.000 2.016 453 Q HA -0.078 4.262 4.340 0.000 0.000 0.200 453 Q C 1.915 177.912 176.000 -0.005 0.000 0.978 453 Q CA 1.593 57.392 55.803 -0.007 0.000 0.833 453 Q CB -0.253 28.484 28.738 -0.001 0.000 0.895 453 Q HN 0.326 nan 8.270 nan 0.000 0.427 454 I N -0.438 120.133 120.570 0.001 0.000 2.151 454 I HA -0.299 3.871 4.170 0.000 0.000 0.243 454 I C 2.044 178.172 176.117 0.018 0.000 1.080 454 I CA 1.249 62.557 61.300 0.014 0.000 1.339 454 I CB -0.367 37.649 38.000 0.027 0.000 1.039 454 I HN 0.066 nan 8.210 nan 0.000 0.409 455 V N 0.454 120.358 119.914 -0.016 0.000 2.626 455 V HA -0.231 3.889 4.120 0.000 0.000 0.252 455 V C 2.276 178.348 176.094 -0.037 0.000 1.067 455 V CA 1.194 63.460 62.300 -0.057 0.000 1.081 455 V CB -0.405 31.298 31.823 -0.199 0.000 0.686 455 V HN 0.339 nan 8.190 nan 0.000 0.468 456 L N 0.810 122.016 121.223 -0.027 0.000 2.027 456 L HA -0.087 4.253 4.340 0.000 0.000 0.206 456 L C 2.139 179.006 176.870 -0.004 0.000 1.074 456 L CA 1.860 56.689 54.840 -0.017 0.000 0.745 456 L CB -0.804 41.247 42.059 -0.014 0.000 0.898 456 L HN 0.294 nan 8.230 nan 0.000 0.433 457 N N -1.354 117.347 118.700 0.002 0.000 2.453 457 N HA -0.137 4.603 4.740 0.000 0.000 0.183 457 N C 1.566 177.084 175.510 0.014 0.000 1.041 457 N CA 1.247 54.302 53.050 0.007 0.000 0.900 457 N CB -0.574 37.918 38.487 0.008 0.000 0.961 457 N HN 0.404 nan 8.380 nan 0.000 0.443 458 C N -0.561 118.753 119.300 0.022 0.000 2.626 458 C HA 0.271 4.731 4.460 0.000 0.000 0.266 458 C C 1.709 176.716 174.990 0.028 0.000 1.317 458 C CA 0.240 59.281 59.018 0.038 0.000 1.716 458 C CB -1.106 26.686 27.740 0.086 0.000 1.819 458 C HN 0.605 nan 8.230 nan 0.000 0.578 459 G N 1.119 109.927 108.800 0.013 0.000 2.148 459 G HA2 -0.179 3.781 3.960 0.000 0.000 0.254 459 G HA3 -0.179 3.781 3.960 0.000 0.000 0.254 459 G C -0.142 174.762 174.900 0.006 0.000 0.981 459 G CA 0.375 45.480 45.100 0.009 0.000 0.670 459 G HN 0.510 nan 8.290 nan 0.000 0.528 460 E N 0.327 120.525 120.200 -0.004 0.000 2.254 460 E HA 0.435 4.785 4.350 0.000 0.000 0.258 460 E C 0.298 176.871 176.600 -0.046 0.000 1.033 460 E CA -0.723 55.663 56.400 -0.023 0.000 0.893 460 E CB 0.536 30.209 29.700 -0.044 0.000 1.204 460 E HN 0.515 nan 8.360 nan 0.000 0.425 461 E N 2.574 122.743 120.200 -0.052 0.000 2.052 461 E HA 0.091 4.441 4.350 0.000 0.000 0.283 461 E C -1.558 174.993 176.600 -0.081 0.000 1.071 461 E CA -1.565 54.807 56.400 -0.048 0.000 0.851 461 E CB 0.897 30.582 29.700 -0.025 0.000 1.066 461 E HN 0.189 nan 8.360 nan 0.000 0.396 462 P HA -0.205 nan 4.420 nan 0.000 0.218 462 P C 1.328 178.590 177.300 -0.064 0.000 1.149 462 P CA 1.214 64.263 63.100 -0.086 0.000 0.817 462 P CB 0.277 31.943 31.700 -0.058 0.000 0.785 463 S N -1.174 114.503 115.700 -0.039 0.000 2.489 463 S HA -0.018 4.452 4.470 0.000 0.000 0.228 463 S C 1.962 176.552 174.600 -0.017 0.000 0.995 463 S CA 0.628 58.814 58.200 -0.023 0.000 0.934 463 S CB -1.354 61.838 63.200 -0.014 0.000 0.771 463 S HN -0.027 nan 8.310 nan 0.000 0.522 464 V N 1.328 121.228 119.914 -0.023 0.000 2.379 464 V HA -0.019 4.101 4.120 0.000 0.000 0.243 464 V C 2.609 178.709 176.094 0.011 0.000 1.035 464 V CA 1.197 63.495 62.300 -0.003 0.000 1.035 464 V CB -0.526 31.298 31.823 0.001 0.000 0.673 464 V HN 0.432 nan 8.190 nan 0.000 0.457 465 V N 0.665 120.552 119.914 -0.044 0.000 2.358 465 V HA -0.220 3.900 4.120 0.000 0.000 0.246 465 V C 2.744 178.844 176.094 0.010 0.000 1.047 465 V CA 1.994 64.261 62.300 -0.054 0.000 1.035 465 V CB -1.158 30.404 31.823 -0.435 0.000 0.658 465 V HN 0.531 nan 8.190 nan 0.000 0.452 466 A N 0.670 123.473 122.820 -0.028 0.000 1.902 466 A HA -0.299 4.021 4.320 0.000 0.000 0.217 466 A C 2.077 179.679 177.584 0.030 0.000 1.181 466 A CA 2.348 54.385 52.037 0.001 0.000 0.623 466 A CB -0.911 18.081 19.000 -0.012 0.000 0.818 466 A HN 0.651 nan 8.150 nan 0.000 0.443 467 N N -0.784 117.930 118.700 0.024 0.000 2.120 467 N HA -0.129 4.612 4.740 0.000 0.000 0.188 467 N C 1.629 177.163 175.510 0.041 0.000 1.024 467 N CA 2.361 55.427 53.050 0.026 0.000 0.852 467 N CB -0.338 38.158 38.487 0.015 0.000 1.003 467 N HN 0.368 nan 8.380 nan 0.000 0.424 468 T N -0.534 114.052 114.554 0.053 0.000 2.770 468 T HA -0.045 4.306 4.350 0.000 0.000 0.263 468 T C 1.926 176.706 174.700 0.133 0.000 1.039 468 T CA 1.247 63.370 62.100 0.038 0.000 1.142 468 T CB -0.419 68.408 68.868 -0.068 0.000 0.868 468 T HN 0.034 nan 8.240 nan 0.000 0.435 469 V N 1.837 121.851 119.914 0.168 0.000 2.392 469 V HA -0.191 3.929 4.120 0.000 0.000 0.249 469 V C 2.485 178.680 176.094 0.168 0.000 1.059 469 V CA 1.542 63.935 62.300 0.156 0.000 1.051 469 V CB -0.513 31.367 31.823 0.095 0.000 0.658 469 V HN 0.470 nan 8.190 nan 0.000 0.455 470 K N 0.232 120.698 120.400 0.111 0.000 2.097 470 K HA -0.073 4.247 4.320 0.000 0.000 0.205 470 K C 2.219 178.871 176.600 0.087 0.000 1.050 470 K CA 1.379 57.717 56.287 0.086 0.000 0.938 470 K CB -0.559 31.972 32.500 0.052 0.000 0.718 470 K HN 0.563 nan 8.250 nan 0.000 0.442 471 G N 1.297 110.148 108.800 0.085 0.000 2.471 471 G HA2 -0.096 3.864 3.960 0.000 0.000 0.219 471 G HA3 -0.096 3.864 3.960 0.000 0.000 0.219 471 G C 0.851 175.782 174.900 0.052 0.000 1.125 471 G CA 0.654 45.785 45.100 0.052 0.000 0.775 471 G HN 0.348 nan 8.290 nan 0.000 0.548 472 G N -0.755 108.137 108.800 0.153 0.000 2.489 472 G HA2 0.434 4.394 3.960 0.000 0.000 0.271 472 G HA3 0.434 4.394 3.960 0.000 0.000 0.271 472 G C -1.032 173.925 174.900 0.094 0.000 1.427 472 G CA 0.003 45.163 45.100 0.099 0.000 1.057 472 G HN 0.283 nan 8.290 nan 0.000 0.532 473 D N -3.760 116.690 120.400 0.082 0.000 2.609 473 D HA 0.504 5.144 4.640 0.000 0.000 0.239 473 D C 0.479 176.844 176.300 0.108 0.000 1.229 473 D CA 0.971 55.015 54.000 0.072 0.000 0.808 473 D CB 1.372 42.178 40.800 0.010 0.000 1.448 473 D HN 1.156 nan 8.370 nan 0.000 0.433 474 G N 1.824 110.676 108.800 0.086 0.000 2.552 474 G HA2 -0.304 3.657 3.960 0.000 0.000 0.265 474 G HA3 -0.304 3.657 3.960 0.000 0.000 0.265 474 G C 0.262 175.230 174.900 0.113 0.000 1.234 474 G CA -0.019 45.131 45.100 0.083 0.000 0.944 474 G HN 0.602 nan 8.290 nan 0.000 0.568 475 N N 0.576 119.339 118.700 0.104 0.000 2.482 475 N HA 0.100 4.841 4.740 0.000 0.000 0.220 475 N C 0.053 175.651 175.510 0.146 0.000 1.255 475 N CA 0.379 53.488 53.050 0.100 0.000 0.850 475 N CB -0.282 38.245 38.487 0.068 0.000 1.127 475 N HN 0.489 nan 8.380 nan 0.000 0.475 476 Y N 0.489 120.822 120.300 0.055 0.000 2.393 476 Y HA 0.492 5.042 4.550 0.000 0.000 0.338 476 Y C 0.702 176.673 175.900 0.118 0.000 1.029 476 Y CA -0.347 57.800 58.100 0.079 0.000 1.239 476 Y CB 0.333 38.833 38.460 0.066 0.000 1.170 476 Y HN 0.080 nan 8.280 nan 0.000 0.515 477 G N 4.155 112.719 108.800 -0.394 0.000 2.846 477 G HA2 0.240 4.200 3.960 0.000 0.000 0.299 477 G HA3 0.240 4.200 3.960 0.000 0.000 0.299 477 G C -2.377 172.402 174.900 -0.203 0.000 1.242 477 G CA -0.870 44.059 45.100 -0.284 0.000 0.800 477 G HN 0.535 nan 8.290 nan 0.000 0.538 478 Y N 1.419 121.554 120.300 -0.274 0.000 2.328 478 Y HA 0.588 5.138 4.550 -0.000 0.000 0.336 478 Y C -0.301 175.436 175.900 -0.272 0.000 0.960 478 Y CA -1.247 56.591 58.100 -0.436 0.000 1.134 478 Y CB 1.683 39.827 38.460 -0.526 0.000 1.166 478 Y HN 0.411 nan 8.280 nan 0.000 0.464 479 N N 4.898 123.217 118.700 -0.635 0.000 2.521 479 N HA 0.179 4.919 4.740 0.000 0.000 0.236 479 N C 0.390 175.494 175.510 -0.677 0.000 1.067 479 N CA 0.526 53.294 53.050 -0.469 0.000 0.939 479 N CB 1.314 39.608 38.487 -0.321 0.000 1.201 479 N HN 0.907 nan 8.380 nan 0.000 0.511 480 A N 3.433 126.013 122.820 -0.399 0.000 2.121 480 A HA 0.010 4.330 4.320 0.000 0.000 0.218 480 A C 1.987 179.466 177.584 -0.174 0.000 1.154 480 A CA 1.448 53.348 52.037 -0.230 0.000 0.679 480 A CB -0.312 18.710 19.000 0.037 0.000 0.795 480 A HN 0.699 nan 8.150 nan 0.000 0.458 481 A N -0.147 122.572 122.820 -0.169 0.000 1.840 481 A HA -0.059 4.261 4.320 0.000 0.000 0.214 481 A C 2.388 179.892 177.584 -0.133 0.000 1.198 481 A CA 2.273 54.241 52.037 -0.115 0.000 0.608 481 A CB -1.149 17.796 19.000 -0.091 0.000 0.839 481 A HN 0.749 nan 8.150 nan 0.000 0.443 482 T N -3.215 111.231 114.554 -0.179 0.000 3.081 482 T HA 0.178 4.528 4.350 0.000 0.000 0.255 482 T C 0.270 174.842 174.700 -0.213 0.000 1.113 482 T CA 0.754 62.758 62.100 -0.160 0.000 1.082 482 T CB -0.348 68.437 68.868 -0.138 0.000 0.939 482 T HN 0.568 nan 8.240 nan 0.000 0.506 483 E N 1.297 121.271 120.200 -0.378 0.000 2.320 483 E HA -0.128 4.222 4.350 0.000 0.000 0.234 483 E C -0.851 175.481 176.600 -0.446 0.000 1.183 483 E CA 0.398 56.491 56.400 -0.512 0.000 0.713 483 E CB -0.921 28.692 29.700 -0.145 0.000 1.226 483 E HN 0.657 nan 8.360 nan 0.000 0.382 484 E N -0.422 119.443 120.200 -0.559 0.000 2.383 484 E HA 0.352 4.702 4.350 0.000 0.000 0.275 484 E C -0.595 175.800 176.600 -0.342 0.000 0.918 484 E CA -0.729 55.509 56.400 -0.270 0.000 0.764 484 E CB 1.002 30.638 29.700 -0.108 0.000 1.252 484 E HN 0.044 nan 8.360 nan 0.000 0.449 485 Y N 0.068 120.350 120.300 -0.031 0.000 2.295 485 Y HA 0.599 5.149 4.550 0.000 0.000 0.331 485 Y C 1.301 177.199 175.900 -0.004 0.000 1.311 485 Y CA 0.784 58.859 58.100 -0.041 0.000 1.430 485 Y CB 1.321 39.813 38.460 0.053 0.000 1.339 485 Y HN 0.693 nan 8.280 nan 0.000 0.552 486 G N 0.273 109.166 108.800 0.156 0.000 2.333 486 G HA2 -0.031 3.929 3.960 0.000 0.000 0.288 486 G HA3 -0.031 3.929 3.960 0.000 0.000 0.288 486 G C -1.894 173.112 174.900 0.177 0.000 1.286 486 G CA -1.160 44.062 45.100 0.204 0.000 0.865 486 G HN 0.557 nan 8.290 nan 0.000 0.506 487 N N 1.190 119.980 118.700 0.150 0.000 2.415 487 N HA 0.141 4.881 4.740 0.000 0.000 0.246 487 N C 1.794 177.337 175.510 0.055 0.000 1.078 487 N CA -0.566 52.557 53.050 0.122 0.000 0.942 487 N CB 0.728 39.278 38.487 0.105 0.000 1.140 487 N HN 0.413 nan 8.380 nan 0.000 0.501 488 M N 3.155 122.776 119.600 0.036 0.000 2.089 488 M HA -0.223 4.257 4.480 0.000 0.000 0.257 488 M C 1.621 177.928 176.300 0.011 0.000 1.071 488 M CA 1.353 56.657 55.300 0.007 0.000 1.096 488 M CB -0.563 32.040 32.600 0.005 0.000 1.330 488 M HN 0.566 nan 8.290 nan 0.000 0.403 489 I N 0.322 120.907 120.570 0.024 0.000 2.252 489 I HA -0.253 3.917 4.170 0.000 0.000 0.245 489 I C 1.911 178.037 176.117 0.016 0.000 1.102 489 I CA 1.443 62.755 61.300 0.020 0.000 1.385 489 I CB -1.443 36.571 38.000 0.025 0.000 1.064 489 I HN 0.250 nan 8.210 nan 0.000 0.414 490 D N 0.532 120.945 120.400 0.022 0.000 2.144 490 D HA -0.130 4.510 4.640 0.000 0.000 0.200 490 D C 2.172 178.477 176.300 0.009 0.000 0.978 490 D CA 1.050 55.061 54.000 0.018 0.000 0.833 490 D CB -0.156 40.660 40.800 0.027 0.000 0.961 490 D HN 0.314 nan 8.370 nan 0.000 0.470 491 M N -0.384 119.218 119.600 0.004 0.000 2.686 491 M HA 0.093 4.573 4.480 0.000 0.000 0.246 491 M C 1.053 177.344 176.300 -0.016 0.000 1.096 491 M CA 0.569 55.862 55.300 -0.011 0.000 1.076 491 M CB 0.178 32.762 32.600 -0.027 0.000 1.504 491 M HN 0.051 nan 8.290 nan 0.000 0.524 492 G N 1.946 110.742 108.800 -0.007 0.000 2.198 492 G HA2 -0.259 3.701 3.960 0.000 0.000 0.260 492 G HA3 -0.259 3.701 3.960 0.000 0.000 0.260 492 G C 0.010 174.904 174.900 -0.011 0.000 1.025 492 G CA -0.098 44.998 45.100 -0.007 0.000 0.769 492 G HN 0.540 nan 8.290 nan 0.000 0.507 493 I N 0.832 121.394 120.570 -0.013 0.000 2.347 493 I HA 0.516 4.687 4.170 0.000 0.000 0.283 493 I C 0.200 176.314 176.117 -0.006 0.000 1.058 493 I CA -0.832 60.458 61.300 -0.016 0.000 1.202 493 I CB 0.449 38.429 38.000 -0.032 0.000 1.386 493 I HN 0.220 nan 8.210 nan 0.000 0.475 494 L N 3.569 124.791 121.223 -0.001 0.000 2.479 494 L HA 0.776 5.116 4.340 0.000 0.000 0.255 494 L C -1.329 175.546 176.870 0.009 0.000 1.026 494 L CA -0.769 54.075 54.840 0.006 0.000 0.842 494 L CB 1.582 43.647 42.059 0.008 0.000 1.444 494 L HN 0.074 nan 8.230 nan 0.000 0.409 495 D N -0.596 119.812 120.400 0.012 0.000 2.601 495 D HA 0.477 5.118 4.640 0.000 0.000 0.230 495 D C -2.841 173.469 176.300 0.018 0.000 1.106 495 D CA -1.256 52.753 54.000 0.016 0.000 0.873 495 D CB 2.362 43.172 40.800 0.017 0.000 1.515 495 D HN 0.351 nan 8.370 nan 0.000 0.468 496 P HA 0.069 nan 4.420 nan 0.000 0.267 496 P C 0.857 178.169 177.300 0.021 0.000 1.205 496 P CA 0.101 63.214 63.100 0.022 0.000 0.765 496 P CB 0.541 32.257 31.700 0.026 0.000 0.828 497 T N 2.290 116.855 114.554 0.019 0.000 2.822 497 T HA -0.215 4.135 4.350 0.000 0.000 0.270 497 T C 1.584 176.294 174.700 0.018 0.000 1.064 497 T CA 1.291 63.401 62.100 0.017 0.000 1.131 497 T CB -0.274 68.603 68.868 0.014 0.000 0.858 497 T HN 0.494 nan 8.240 nan 0.000 0.483 498 K N 1.041 121.454 120.400 0.020 0.000 2.097 498 K HA -0.085 4.235 4.320 0.000 0.000 0.206 498 K C 2.435 179.054 176.600 0.032 0.000 1.049 498 K CA 1.352 57.653 56.287 0.023 0.000 0.933 498 K CB -0.242 32.274 32.500 0.026 0.000 0.717 498 K HN 0.368 nan 8.250 nan 0.000 0.442 499 V N -0.939 118.996 119.914 0.034 0.000 2.453 499 V HA -0.125 3.995 4.120 0.000 0.000 0.247 499 V C 1.730 177.848 176.094 0.042 0.000 1.048 499 V CA 2.153 64.478 62.300 0.042 0.000 1.049 499 V CB -0.693 31.151 31.823 0.035 0.000 0.672 499 V HN 0.240 nan 8.190 nan 0.000 0.457 500 T N 0.307 114.880 114.554 0.030 0.000 2.867 500 T HA -0.117 4.233 4.350 0.000 0.000 0.268 500 T C 1.945 176.659 174.700 0.024 0.000 1.057 500 T CA 2.018 64.134 62.100 0.027 0.000 1.136 500 T CB -0.322 68.558 68.868 0.021 0.000 0.874 500 T HN 0.620 nan 8.240 nan 0.000 0.466 501 R N 0.887 121.397 120.500 0.017 0.000 2.057 501 R HA -0.041 4.299 4.340 0.000 0.000 0.229 501 R C 2.595 178.889 176.300 -0.009 0.000 1.136 501 R CA 1.574 57.673 56.100 -0.000 0.000 0.952 501 R CB -0.329 29.966 30.300 -0.007 0.000 0.848 501 R HN 0.208 nan 8.270 nan 0.000 0.430 502 S N 0.798 116.510 115.700 0.020 0.000 2.370 502 S HA -0.166 4.305 4.470 0.000 0.000 0.226 502 S C 2.027 176.720 174.600 0.154 0.000 1.033 502 S CA 1.229 59.465 58.200 0.058 0.000 1.011 502 S CB -0.327 62.979 63.200 0.177 0.000 0.852 502 S HN 0.570 nan 8.310 nan 0.000 0.457 503 A N 1.649 124.545 122.820 0.127 0.000 1.865 503 A HA -0.072 4.248 4.320 0.000 0.000 0.217 503 A C 2.133 179.772 177.584 0.091 0.000 1.191 503 A CA 1.335 53.444 52.037 0.120 0.000 0.623 503 A CB -0.863 18.179 19.000 0.070 0.000 0.826 503 A HN 0.453 nan 8.150 nan 0.000 0.444 504 L N -0.720 120.530 121.223 0.044 0.000 2.017 504 L HA -0.250 4.090 4.340 0.000 0.000 0.208 504 L C 2.860 179.731 176.870 0.001 0.000 1.073 504 L CA 2.071 56.923 54.840 0.021 0.000 0.745 504 L CB -0.596 41.466 42.059 0.006 0.000 0.894 504 L HN 0.564 nan 8.230 nan 0.000 0.432 505 Q N -1.203 118.566 119.800 -0.051 0.000 2.020 505 Q HA -0.245 4.095 4.340 0.000 0.000 0.202 505 Q C 2.072 178.000 176.000 -0.121 0.000 0.982 505 Q CA 1.890 57.614 55.803 -0.130 0.000 0.838 505 Q CB -0.297 28.296 28.738 -0.242 0.000 0.899 505 Q HN 0.456 nan 8.270 nan 0.000 0.423 506 Y N 0.480 120.782 120.300 0.003 0.000 2.181 506 Y HA -0.214 4.336 4.550 0.000 0.000 0.288 506 Y C 2.447 178.350 175.900 0.003 0.000 1.146 506 Y CA 1.026 59.127 58.100 0.003 0.000 1.164 506 Y CB -0.787 37.673 38.460 0.001 0.000 0.982 506 Y HN 0.153 nan 8.280 nan 0.000 0.515 507 A N -0.000 122.915 122.820 0.158 0.000 1.908 507 A HA -0.172 4.148 4.320 0.000 0.000 0.218 507 A C 2.446 180.066 177.584 0.060 0.000 1.181 507 A CA 2.075 54.166 52.037 0.091 0.000 0.627 507 A CB -1.241 17.798 19.000 0.064 0.000 0.818 507 A HN 0.400 nan 8.150 nan 0.000 0.445 508 A N -1.029 121.816 122.820 0.040 0.000 2.014 508 A HA 0.011 4.331 4.320 0.000 0.000 0.218 508 A C 2.384 179.984 177.584 0.026 0.000 1.163 508 A CA 1.876 53.927 52.037 0.022 0.000 0.652 508 A CB -0.760 18.243 19.000 0.004 0.000 0.808 508 A HN 0.577 nan 8.150 nan 0.000 0.449 509 S N 0.024 115.746 115.700 0.038 0.000 2.344 509 S HA -0.164 4.306 4.470 0.000 0.000 0.217 509 S C 1.997 176.629 174.600 0.053 0.000 1.033 509 S CA 2.196 60.424 58.200 0.047 0.000 1.017 509 S CB -0.770 62.480 63.200 0.083 0.000 0.941 509 S HN 0.594 nan 8.310 nan 0.000 0.430 510 V N 2.140 122.095 119.914 0.067 0.000 2.343 510 V HA -0.036 4.084 4.120 0.000 0.000 0.247 510 V C 2.897 179.013 176.094 0.037 0.000 1.051 510 V CA 1.660 63.990 62.300 0.050 0.000 1.036 510 V CB -1.926 29.925 31.823 0.048 0.000 0.654 510 V HN 0.593 nan 8.190 nan 0.000 0.451 511 A N 1.338 124.179 122.820 0.035 0.000 1.940 511 A HA -0.075 4.245 4.320 0.000 0.000 0.219 511 A C 2.381 179.979 177.584 0.022 0.000 1.176 511 A CA 2.203 54.256 52.037 0.026 0.000 0.631 511 A CB -1.342 17.673 19.000 0.024 0.000 0.814 511 A HN 0.597 nan 8.150 nan 0.000 0.446 512 G N -0.292 108.522 108.800 0.023 0.000 2.404 512 G HA2 -0.093 3.867 3.960 0.000 0.000 0.214 512 G HA3 -0.093 3.867 3.960 0.000 0.000 0.214 512 G C 1.561 176.472 174.900 0.020 0.000 1.189 512 G CA 0.912 46.023 45.100 0.019 0.000 0.789 512 G HN 0.423 nan 8.290 nan 0.000 0.533 513 L N -0.257 120.980 121.223 0.024 0.000 1.989 513 L HA -0.112 4.228 4.340 0.000 0.000 0.211 513 L C 2.928 179.811 176.870 0.022 0.000 1.071 513 L CA 1.720 56.574 54.840 0.024 0.000 0.749 513 L CB -0.403 41.672 42.059 0.027 0.000 0.890 513 L HN 0.256 nan 8.230 nan 0.000 0.431 514 M N -0.216 119.398 119.600 0.023 0.000 2.108 514 M HA -0.233 4.247 4.480 0.000 0.000 0.261 514 M C 2.176 178.487 176.300 0.018 0.000 1.066 514 M CA 1.843 57.156 55.300 0.021 0.000 1.107 514 M CB -0.076 32.537 32.600 0.022 0.000 1.356 514 M HN 0.159 nan 8.290 nan 0.000 0.406 515 I N -0.457 120.123 120.570 0.018 0.000 2.676 515 I HA -0.160 4.010 4.170 0.000 0.000 0.259 515 I C 1.112 177.238 176.117 0.016 0.000 1.194 515 I CA 1.286 62.596 61.300 0.015 0.000 1.473 515 I CB -0.367 37.642 38.000 0.014 0.000 1.096 515 I HN 0.418 nan 8.210 nan 0.000 0.443 516 T N -3.022 111.543 114.554 0.018 0.000 3.275 516 T HA 0.222 4.572 4.350 0.000 0.000 0.265 516 T C 0.280 174.993 174.700 0.023 0.000 0.978 516 T CA -0.366 61.745 62.100 0.020 0.000 0.923 516 T CB -0.217 68.662 68.868 0.018 0.000 1.126 516 T HN -0.135 nan 8.240 nan 0.000 0.538 517 T N 1.874 116.441 114.554 0.022 0.000 2.758 517 T HA 0.358 4.708 4.350 0.000 0.000 0.285 517 T C 0.525 175.241 174.700 0.026 0.000 0.981 517 T CA -0.553 61.560 62.100 0.022 0.000 0.965 517 T CB 1.735 70.613 68.868 0.017 0.000 0.927 517 T HN 0.135 nan 8.240 nan 0.000 0.448 518 E N 0.755 120.979 120.200 0.041 0.000 2.473 518 E HA 0.159 4.509 4.350 0.000 0.000 0.204 518 E C 0.120 176.763 176.600 0.072 0.000 0.994 518 E CA 0.127 56.572 56.400 0.075 0.000 0.945 518 E CB 0.673 30.439 29.700 0.110 0.000 0.990 518 E HN 0.569 nan 8.360 nan 0.000 0.493 519 C N 0.610 119.900 119.300 -0.017 0.000 2.880 519 C HA 0.641 5.101 4.460 0.000 0.000 0.320 519 C C -1.291 173.609 174.990 -0.149 0.000 1.176 519 C CA -0.658 58.236 59.018 -0.207 0.000 1.390 519 C CB 0.452 28.057 27.740 -0.225 0.000 1.846 519 C HN 0.094 nan 8.230 nan 0.000 0.478 520 M N 5.272 124.766 119.600 -0.176 0.000 2.326 520 M HA 0.601 5.081 4.480 0.000 0.000 0.306 520 M C -1.068 175.281 176.300 0.081 0.000 1.054 520 M CA -0.619 54.694 55.300 0.022 0.000 0.922 520 M CB 2.054 34.769 32.600 0.192 0.000 1.632 520 M HN 0.376 nan 8.290 nan 0.000 0.436 521 V N 1.419 121.366 119.914 0.055 0.000 2.487 521 V HA 0.759 4.879 4.120 0.000 0.000 0.298 521 V C -0.319 175.749 176.094 -0.042 0.000 1.028 521 V CA -0.368 61.946 62.300 0.023 0.000 0.860 521 V CB 2.037 33.851 31.823 -0.016 0.000 0.991 521 V HN 0.962 nan 8.190 nan 0.000 0.427 522 T N 2.034 116.522 114.554 -0.111 0.000 2.821 522 T HA 0.393 4.743 4.350 0.000 0.000 0.306 522 T C -1.375 173.228 174.700 -0.161 0.000 1.313 522 T CA -0.563 61.409 62.100 -0.213 0.000 1.012 522 T CB 1.880 70.466 68.868 -0.471 0.000 1.298 522 T HN 0.629 nan 8.240 nan 0.000 0.502 523 D N 1.726 122.044 120.400 -0.138 0.000 2.382 523 D HA 0.325 4.965 4.640 0.000 0.000 0.240 523 D C 0.297 176.537 176.300 -0.101 0.000 1.146 523 D CA 0.100 54.045 54.000 -0.092 0.000 0.897 523 D CB 0.486 41.242 40.800 -0.073 0.000 1.197 523 D HN 0.402 nan 8.370 nan 0.000 0.432 524 L N 3.016 124.206 121.223 -0.055 0.000 2.452 524 L HA 0.240 4.580 4.340 0.000 0.000 0.267 524 L C -1.302 175.543 176.870 -0.041 0.000 1.188 524 L CA -1.293 53.524 54.840 -0.037 0.000 0.821 524 L CB 0.220 42.275 42.059 -0.007 0.000 1.102 524 L HN 0.364 nan 8.230 nan 0.000 0.470 525 P HA 0.000 nan 4.420 nan 0.000 0.216 525 P CA 0.000 63.082 63.100 -0.029 0.000 0.800 525 P CB 0.000 31.688 31.700 -0.020 0.000 0.726