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 2eu1_1_A DATA FIRST_RESID 2 DATA SEQUENCE AAKDVKFGND ARVKMLRGVN VLADAVKVTL GPKGRNVVLD KSFGAPTITK DATA SEQUENCE DGVSVAREIE LEDKFENMGA QMVKEVASKA NDAAGDGTTT ATVLAQAIIT DATA SEQUENCE EGLKAVAAGM NPMDLKRGID KAVTAAVEEL KALSVPCSDS KAIAQVGTIS DATA SEQUENCE ANSDETVGKL IAEAMDKVGK EGVITVEDGT GLQDELDVVE GMQFDRGYLS DATA SEQUENCE PYFINKPETG AVELESPFIL LADKKISNIR EMLPVLEAVA KAGKPLLIIA DATA SEQUENCE EDVEGEALAT LVVNTMRGIV KVAAVKAPGF GDRRKAMLQD IATLTGGTVI DATA SEQUENCE SEEIGMELEK ATLEDLGQAK RVVINKDTTT IIDGVGEEAA IQGRVAQIRQ DATA SEQUENCE QIEEATSDYD REKLQERVAK LAGGVAVIKV GAATEVEMKE KKARVEDALH DATA SEQUENCE ATRAAVEEGV VAGGGVALIR VASKLADLRG QNEDQNVGIK VALRAMEAPL DATA SEQUENCE RQIVLNCGEK 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 0.000 177.582 177.584 -0.003 0.000 1.274 2 A CA 0.000 52.035 52.037 -0.004 0.000 0.836 2 A CB 0.000 18.998 19.000 -0.004 0.000 0.831 3 A N 0.521 123.341 122.820 -0.000 0.000 2.561 3 A HA 0.494 4.814 4.320 -0.000 0.000 0.234 3 A C 0.103 177.687 177.584 -0.001 0.000 1.055 3 A CA 0.630 52.670 52.037 0.005 0.000 0.756 3 A CB -0.240 18.764 19.000 0.007 0.000 0.986 3 A HN 0.532 nan 8.150 nan 0.000 0.505 4 K N 0.910 121.314 120.400 0.006 0.000 2.352 4 K HA 0.529 4.849 4.320 -0.000 0.000 0.240 4 K C -1.352 175.262 176.600 0.023 0.000 1.017 4 K CA -0.738 55.548 56.287 -0.001 0.000 0.851 4 K CB 1.643 34.143 32.500 -0.000 0.000 1.261 4 K HN 0.731 nan 8.250 nan 0.000 0.451 5 D N 0.505 120.921 120.400 0.026 0.000 2.362 5 D HA 0.455 5.095 4.640 -0.000 0.000 0.247 5 D C -1.425 174.981 176.300 0.177 0.000 1.050 5 D CA -0.562 53.505 54.000 0.111 0.000 0.839 5 D CB 1.559 42.440 40.800 0.136 0.000 1.283 5 D HN 0.092 nan 8.370 nan 0.000 0.477 6 V N 3.948 123.947 119.914 0.143 0.000 2.531 6 V HA 0.462 4.582 4.120 -0.000 0.000 0.301 6 V C 0.078 176.092 176.094 -0.134 0.000 1.034 6 V CA -0.857 61.438 62.300 -0.008 0.000 0.865 6 V CB 1.865 33.637 31.823 -0.086 0.000 0.995 6 V HN 0.390 nan 8.190 nan 0.000 0.424 7 K N 3.151 123.348 120.400 -0.339 0.000 2.267 7 K HA 0.762 5.082 4.320 -0.000 0.000 0.246 7 K C -1.621 174.654 176.600 -0.543 0.000 0.954 7 K CA -0.594 55.442 56.287 -0.418 0.000 0.824 7 K CB 2.462 34.524 32.500 -0.730 0.000 1.167 7 K HN 0.449 nan 8.250 nan 0.000 0.431 8 F N -0.334 119.554 119.950 -0.105 0.000 2.563 8 F HA 0.323 4.850 4.527 -0.000 0.000 0.316 8 F C 1.179 176.942 175.800 -0.062 0.000 1.076 8 F CA 0.092 58.056 58.000 -0.061 0.000 0.921 8 F CB 1.766 40.744 39.000 -0.037 0.000 1.209 8 F HN 0.852 nan 8.300 nan 0.000 0.462 9 G N 2.525 111.432 108.800 0.178 0.000 2.684 9 G HA2 -0.462 3.498 3.960 -0.000 0.000 0.342 9 G HA3 -0.462 3.498 3.960 -0.000 0.000 0.342 9 G C 1.411 176.327 174.900 0.027 0.000 1.316 9 G CA 0.984 46.135 45.100 0.086 0.000 0.994 9 G HN 0.760 nan 8.290 nan 0.000 0.541 10 N N 0.408 119.120 118.700 0.020 0.000 2.037 10 N HA -0.222 4.518 4.740 -0.000 0.000 0.196 10 N C 1.881 177.376 175.510 -0.025 0.000 1.034 10 N CA 2.413 55.462 53.050 -0.002 0.000 0.861 10 N CB -0.400 38.087 38.487 0.000 0.000 1.039 10 N HN 0.590 nan 8.380 nan 0.000 0.427 11 D N 0.379 120.762 120.400 -0.028 0.000 2.127 11 D HA -0.134 4.506 4.640 -0.000 0.000 0.190 11 D C 1.684 177.901 176.300 -0.138 0.000 1.000 11 D CA 1.820 55.777 54.000 -0.071 0.000 0.839 11 D CB -0.484 40.279 40.800 -0.062 0.000 0.955 11 D HN 0.375 nan 8.370 nan 0.000 0.446 12 A N 0.028 122.749 122.820 -0.165 0.000 2.070 12 A HA -0.119 4.201 4.320 -0.000 0.000 0.220 12 A C 2.307 179.816 177.584 -0.126 0.000 1.159 12 A CA 1.106 52.999 52.037 -0.240 0.000 0.656 12 A CB -0.332 18.528 19.000 -0.233 0.000 0.800 12 A HN 0.202 nan 8.150 nan 0.000 0.453 13 R N -0.526 119.933 120.500 -0.068 0.000 2.055 13 R HA -0.070 4.270 4.340 -0.000 0.000 0.226 13 R C 2.275 178.558 176.300 -0.027 0.000 1.135 13 R CA 1.467 57.547 56.100 -0.033 0.000 0.959 13 R CB -0.668 29.623 30.300 -0.015 0.000 0.854 13 R HN 0.542 nan 8.270 nan 0.000 0.431 14 V N 0.364 120.259 119.914 -0.032 0.000 2.380 14 V HA -0.268 3.852 4.120 -0.000 0.000 0.251 14 V C 1.968 178.051 176.094 -0.018 0.000 1.063 14 V CA 1.642 63.929 62.300 -0.022 0.000 1.055 14 V CB -0.495 31.314 31.823 -0.024 0.000 0.657 14 V HN 0.130 nan 8.190 nan 0.000 0.455 15 K N -0.060 120.318 120.400 -0.037 0.000 2.026 15 K HA -0.053 4.267 4.320 -0.000 0.000 0.208 15 K C 2.238 178.858 176.600 0.034 0.000 1.048 15 K CA 2.257 58.541 56.287 -0.005 0.000 0.929 15 K CB -0.539 31.934 32.500 -0.046 0.000 0.713 15 K HN 0.582 nan 8.250 nan 0.000 0.439 16 M N 0.240 119.856 119.600 0.026 0.000 2.059 16 M HA -0.204 4.276 4.480 -0.000 0.000 0.259 16 M C 2.298 178.613 176.300 0.025 0.000 1.072 16 M CA 1.252 56.575 55.300 0.038 0.000 1.117 16 M CB -0.524 32.094 32.600 0.029 0.000 1.320 16 M HN 0.049 nan 8.290 nan 0.000 0.408 17 L N 0.852 122.083 121.223 0.014 0.000 1.971 17 L HA -0.255 4.085 4.340 -0.000 0.000 0.215 17 L C 2.505 179.383 176.870 0.013 0.000 1.072 17 L CA 2.175 57.022 54.840 0.011 0.000 0.758 17 L CB -0.790 41.273 42.059 0.006 0.000 0.889 17 L HN 0.212 nan 8.230 nan 0.000 0.433 18 R N -0.441 120.066 120.500 0.012 0.000 2.133 18 R HA -0.169 4.171 4.340 -0.000 0.000 0.247 18 R C 2.089 178.400 176.300 0.018 0.000 1.151 18 R CA 1.948 58.056 56.100 0.014 0.000 0.971 18 R CB -1.109 29.200 30.300 0.015 0.000 0.866 18 R HN 0.590 nan 8.270 nan 0.000 0.447 19 G N -0.466 108.349 108.800 0.025 0.000 2.424 19 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.214 19 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.214 19 G C 1.405 176.315 174.900 0.016 0.000 1.202 19 G CA 0.584 45.699 45.100 0.025 0.000 0.793 19 G HN 0.290 nan 8.290 nan 0.000 0.534 20 V N 1.295 121.219 119.914 0.016 0.000 2.469 20 V HA -0.187 3.933 4.120 -0.000 0.000 0.251 20 V C 2.387 178.486 176.094 0.009 0.000 1.064 20 V CA 2.493 64.799 62.300 0.011 0.000 1.066 20 V CB -0.543 31.287 31.823 0.012 0.000 0.667 20 V HN 0.280 nan 8.190 nan 0.000 0.461 21 N N 0.313 119.019 118.700 0.009 0.000 2.120 21 N HA -0.129 4.611 4.740 -0.000 0.000 0.188 21 N C 1.780 177.293 175.510 0.005 0.000 1.024 21 N CA 1.892 54.946 53.050 0.007 0.000 0.852 21 N CB -0.536 37.955 38.487 0.007 0.000 1.003 21 N HN 0.493 nan 8.380 nan 0.000 0.424 22 V N 1.612 121.529 119.914 0.006 0.000 2.287 22 V HA -0.204 3.916 4.120 -0.000 0.000 0.248 22 V C 2.430 178.524 176.094 0.001 0.000 1.053 22 V CA 1.200 63.502 62.300 0.003 0.000 1.027 22 V CB -0.698 31.128 31.823 0.004 0.000 0.646 22 V HN 0.198 nan 8.190 nan 0.000 0.447 23 L N 1.180 122.403 121.223 0.001 0.000 1.970 23 L HA -0.116 4.224 4.340 -0.000 0.000 0.212 23 L C 2.502 179.371 176.870 -0.002 0.000 1.071 23 L CA 2.555 57.395 54.840 -0.001 0.000 0.751 23 L CB -1.232 40.826 42.059 -0.001 0.000 0.889 23 L HN 0.215 nan 8.230 nan 0.000 0.432 24 A N -0.689 122.131 122.820 0.001 0.000 1.883 24 A HA -0.247 4.073 4.320 -0.000 0.000 0.217 24 A C 2.004 179.588 177.584 0.000 0.000 1.186 24 A CA 2.060 54.098 52.037 0.001 0.000 0.624 24 A CB -0.999 18.004 19.000 0.004 0.000 0.822 24 A HN 0.631 nan 8.150 nan 0.000 0.444 25 D N -0.061 120.339 120.400 0.001 0.000 2.178 25 D HA -0.011 4.629 4.640 -0.000 0.000 0.202 25 D C 2.137 178.436 176.300 -0.001 0.000 0.974 25 D CA 1.370 55.370 54.000 0.000 0.000 0.841 25 D CB -0.350 40.451 40.800 0.001 0.000 0.953 25 D HN 0.465 nan 8.370 nan 0.000 0.478 26 A N 0.604 123.423 122.820 -0.003 0.000 1.968 26 A HA -0.056 4.264 4.320 -0.000 0.000 0.217 26 A C 2.351 179.932 177.584 -0.005 0.000 1.169 26 A CA 0.730 52.764 52.037 -0.004 0.000 0.638 26 A CB -0.461 18.535 19.000 -0.005 0.000 0.812 26 A HN 0.172 nan 8.150 nan 0.000 0.446 27 V N 0.869 120.780 119.914 -0.005 0.000 2.649 27 V HA -0.133 3.987 4.120 -0.000 0.000 0.248 27 V C 2.392 178.483 176.094 -0.005 0.000 1.054 27 V CA 2.085 64.381 62.300 -0.007 0.000 1.073 27 V CB -0.379 31.439 31.823 -0.008 0.000 0.699 27 V HN 0.809 nan 8.190 nan 0.000 0.463 28 K N 0.715 121.114 120.400 -0.003 0.000 2.439 28 K HA -0.027 4.293 4.320 -0.000 0.000 0.197 28 K C 1.463 178.062 176.600 -0.002 0.000 1.041 28 K CA 1.541 57.827 56.287 -0.002 0.000 0.970 28 K CB -0.542 31.959 32.500 0.001 0.000 0.773 28 K HN 0.489 nan 8.250 nan 0.000 0.479 29 V N -0.050 119.862 119.914 -0.002 0.000 3.488 29 V HA -0.091 4.029 4.120 -0.000 0.000 0.273 29 V C 1.796 177.888 176.094 -0.003 0.000 1.209 29 V CA 1.338 63.637 62.300 -0.002 0.000 1.179 29 V CB -1.280 30.542 31.823 -0.002 0.000 0.842 29 V HN 0.527 nan 8.190 nan 0.000 0.515 30 T N -3.050 111.501 114.554 -0.005 0.000 3.033 30 T HA 0.241 4.591 4.350 -0.000 0.000 0.248 30 T C 0.957 175.653 174.700 -0.006 0.000 1.040 30 T CA -0.205 61.891 62.100 -0.006 0.000 1.133 30 T CB -0.235 68.629 68.868 -0.008 0.000 0.895 30 T HN 0.262 nan 8.240 nan 0.000 0.465 31 L N 2.937 124.158 121.223 -0.005 0.000 2.769 31 L HA 0.171 4.511 4.340 -0.000 0.000 0.293 31 L C 1.192 178.060 176.870 -0.004 0.000 1.224 31 L CA 2.024 56.861 54.840 -0.004 0.000 0.906 31 L CB -1.492 40.567 42.059 -0.000 0.000 1.193 31 L HN 0.961 nan 8.230 nan 0.000 0.488 32 G N 5.108 113.903 108.800 -0.008 0.000 2.854 32 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.686 32 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.686 32 G C -1.343 173.547 174.900 -0.018 0.000 1.202 32 G CA -0.569 44.524 45.100 -0.013 0.000 0.878 32 G HN 0.593 nan 8.290 nan 0.000 0.583 33 P HA -0.275 nan 4.420 nan 0.000 0.238 33 P C 1.273 178.558 177.300 -0.024 0.000 1.056 33 P CA 2.471 65.550 63.100 -0.035 0.000 1.038 33 P CB -0.057 31.610 31.700 -0.055 0.000 0.721 34 K N -0.397 119.993 120.400 -0.018 0.000 2.862 34 K HA 0.264 4.584 4.320 -0.000 0.000 0.229 34 K C 0.954 177.550 176.600 -0.007 0.000 1.107 34 K CA -0.172 56.109 56.287 -0.010 0.000 1.222 34 K CB -0.187 32.310 32.500 -0.005 0.000 1.067 34 K HN 0.178 nan 8.250 nan 0.000 0.464 35 G N 1.284 110.079 108.800 -0.009 0.000 2.554 35 G HA2 0.040 4.000 3.960 -0.000 0.000 0.238 35 G HA3 0.040 4.000 3.960 -0.000 0.000 0.238 35 G C 0.219 175.115 174.900 -0.006 0.000 1.259 35 G CA -0.480 44.616 45.100 -0.007 0.000 0.843 35 G HN 0.178 nan 8.290 nan 0.000 0.582 36 R N 0.533 121.030 120.500 -0.005 0.000 2.606 36 R HA 0.310 4.650 4.340 -0.000 0.000 0.249 36 R C -0.124 176.172 176.300 -0.006 0.000 1.127 36 R CA -0.944 55.153 56.100 -0.005 0.000 1.133 36 R CB 0.121 30.418 30.300 -0.004 0.000 1.243 36 R HN 0.621 nan 8.270 nan 0.000 0.558 37 N N -1.101 117.595 118.700 -0.006 0.000 2.489 37 N HA 0.442 5.182 4.740 -0.000 0.000 0.284 37 N C -1.105 174.401 175.510 -0.007 0.000 1.158 37 N CA -0.605 52.441 53.050 -0.007 0.000 0.965 37 N CB 1.547 40.030 38.487 -0.007 0.000 1.195 37 N HN 0.095 nan 8.380 nan 0.000 0.506 38 V N 1.260 121.170 119.914 -0.008 0.000 2.483 38 V HA 0.329 4.449 4.120 -0.000 0.000 0.297 38 V C -0.516 175.572 176.094 -0.009 0.000 1.027 38 V CA -0.896 61.399 62.300 -0.008 0.000 0.855 38 V CB 1.619 33.436 31.823 -0.009 0.000 0.995 38 V HN 0.355 nan 8.190 nan 0.000 0.424 39 V N 6.290 126.198 119.914 -0.010 0.000 2.368 39 V HA 0.365 4.485 4.120 -0.000 0.000 0.266 39 V C 0.010 176.097 176.094 -0.012 0.000 1.045 39 V CA -0.318 61.975 62.300 -0.011 0.000 0.899 39 V CB 0.988 32.804 31.823 -0.012 0.000 1.006 39 V HN 0.650 nan 8.190 nan 0.000 0.470 40 L N 4.160 125.376 121.223 -0.012 0.000 2.270 40 L HA 0.401 4.741 4.340 -0.000 0.000 0.286 40 L C 0.252 177.113 176.870 -0.015 0.000 1.059 40 L CA -0.413 54.419 54.840 -0.013 0.000 0.839 40 L CB 0.848 42.900 42.059 -0.011 0.000 1.221 40 L HN 0.593 nan 8.230 nan 0.000 0.431 41 D N 3.580 123.968 120.400 -0.019 0.000 2.455 41 D HA 0.047 4.687 4.640 -0.000 0.000 0.241 41 D C -0.212 176.075 176.300 -0.022 0.000 1.138 41 D CA 0.333 54.317 54.000 -0.026 0.000 0.877 41 D CB 0.824 41.603 40.800 -0.036 0.000 1.187 41 D HN 0.346 nan 8.370 nan 0.000 0.451 42 K N 2.476 122.864 120.400 -0.020 0.000 2.413 42 K HA 0.245 4.565 4.320 -0.000 0.000 0.257 42 K C 1.122 177.719 176.600 -0.005 0.000 0.946 42 K CA -0.353 55.930 56.287 -0.005 0.000 0.823 42 K CB 0.981 33.486 32.500 0.008 0.000 1.109 42 K HN 0.653 nan 8.250 nan 0.000 0.427 43 S N 3.815 119.518 115.700 0.005 0.000 2.206 43 S HA -0.311 4.159 4.470 -0.000 0.000 0.454 43 S C 0.444 175.038 174.600 -0.010 0.000 1.033 43 S CA 1.295 59.509 58.200 0.022 0.000 2.646 43 S CB -0.843 62.414 63.200 0.095 0.000 1.946 43 S HN 0.533 nan 8.310 nan 0.000 0.522 44 F N 2.464 122.411 119.950 -0.005 0.000 2.518 44 F HA 0.676 5.203 4.527 -0.000 0.000 0.323 44 F C 0.887 176.685 175.800 -0.005 0.000 1.129 44 F CA 0.665 58.662 58.000 -0.005 0.000 0.920 44 F CB 1.758 40.756 39.000 -0.004 0.000 1.160 44 F HN 0.950 nan 8.300 nan 0.000 0.440 45 G N 1.780 110.690 108.800 0.184 0.000 2.270 45 G HA2 0.425 4.385 3.960 -0.000 0.000 0.268 45 G HA3 0.425 4.385 3.960 -0.000 0.000 0.268 45 G C -1.847 173.079 174.900 0.044 0.000 1.312 45 G CA -0.430 44.740 45.100 0.116 0.000 1.050 45 G HN 0.968 nan 8.290 nan 0.000 0.474 46 A N 0.520 123.359 122.820 0.032 0.000 2.306 46 A HA 0.876 5.196 4.320 -0.000 0.000 0.314 46 A C -1.695 175.891 177.584 0.004 0.000 1.164 46 A CA -0.881 51.163 52.037 0.011 0.000 0.822 46 A CB 0.262 19.269 19.000 0.013 0.000 1.130 46 A HN 0.601 nan 8.150 nan 0.000 0.496 47 P HA 0.181 nan 4.420 nan 0.000 0.272 47 P C -0.281 177.016 177.300 -0.004 0.000 1.243 47 P CA 0.299 63.393 63.100 -0.009 0.000 0.803 47 P CB 0.372 32.063 31.700 -0.014 0.000 0.974 48 T N 1.264 115.815 114.554 -0.006 0.000 2.792 48 T HA 0.530 4.880 4.350 -0.000 0.000 0.280 48 T C -0.022 174.674 174.700 -0.007 0.000 0.990 48 T CA -0.314 61.783 62.100 -0.004 0.000 0.960 48 T CB 0.198 69.063 68.868 -0.004 0.000 0.939 48 T HN 0.156 nan 8.240 nan 0.000 0.439 49 I N 2.882 123.448 120.570 -0.006 0.000 2.330 49 I HA 0.479 4.649 4.170 -0.000 0.000 0.289 49 I C 0.409 176.522 176.117 -0.007 0.000 1.001 49 I CA -0.390 60.906 61.300 -0.007 0.000 1.193 49 I CB 1.620 39.616 38.000 -0.006 0.000 1.345 49 I HN 0.492 nan 8.210 nan 0.000 0.461 50 T N 4.620 119.169 114.554 -0.008 0.000 2.864 50 T HA 0.420 4.770 4.350 -0.000 0.000 0.299 50 T C 0.093 174.788 174.700 -0.009 0.000 1.166 50 T CA -0.515 61.580 62.100 -0.008 0.000 1.007 50 T CB 1.813 70.675 68.868 -0.009 0.000 1.219 50 T HN 0.629 nan 8.240 nan 0.000 0.506 51 K N 0.914 121.308 120.400 -0.010 0.000 2.447 51 K HA 0.196 4.516 4.320 -0.000 0.000 0.205 51 K C -0.733 175.861 176.600 -0.011 0.000 1.059 51 K CA -0.216 56.066 56.287 -0.010 0.000 1.065 51 K CB 0.598 33.093 32.500 -0.010 0.000 0.885 51 K HN 0.421 nan 8.250 nan 0.000 0.545 52 D N 0.436 120.828 120.400 -0.012 0.000 2.352 52 D HA 0.082 4.722 4.640 -0.000 0.000 0.245 52 D C 1.268 177.558 176.300 -0.016 0.000 1.224 52 D CA 0.009 54.000 54.000 -0.015 0.000 0.879 52 D CB 1.104 41.895 40.800 -0.015 0.000 1.057 52 D HN 0.222 nan 8.370 nan 0.000 0.491 53 G N 2.545 111.335 108.800 -0.016 0.000 2.475 53 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.220 53 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.220 53 G C 1.496 176.384 174.900 -0.020 0.000 1.125 53 G CA 1.077 46.168 45.100 -0.016 0.000 0.755 53 G HN 0.494 nan 8.290 nan 0.000 0.565 54 V N 0.920 120.820 119.914 -0.024 0.000 2.343 54 V HA -0.192 3.928 4.120 -0.000 0.000 0.247 54 V C 2.963 179.041 176.094 -0.026 0.000 1.051 54 V CA 2.265 64.548 62.300 -0.028 0.000 1.036 54 V CB -0.954 30.849 31.823 -0.033 0.000 0.654 54 V HN 0.339 nan 8.190 nan 0.000 0.451 55 S N 0.027 115.714 115.700 -0.022 0.000 2.383 55 S HA -0.111 4.359 4.470 -0.000 0.000 0.227 55 S C 2.053 176.642 174.600 -0.018 0.000 1.026 55 S CA 1.328 59.516 58.200 -0.020 0.000 0.981 55 S CB -0.211 62.979 63.200 -0.017 0.000 0.818 55 S HN 0.372 nan 8.310 nan 0.000 0.472 56 V N 2.004 121.908 119.914 -0.017 0.000 2.343 56 V HA -0.192 3.928 4.120 -0.000 0.000 0.247 56 V C 2.626 178.710 176.094 -0.016 0.000 1.051 56 V CA 1.705 63.996 62.300 -0.015 0.000 1.036 56 V CB -1.075 30.740 31.823 -0.013 0.000 0.654 56 V HN 0.543 nan 8.190 nan 0.000 0.451 57 A N -0.325 122.484 122.820 -0.018 0.000 1.930 57 A HA -0.228 4.092 4.320 -0.000 0.000 0.217 57 A C 2.397 179.968 177.584 -0.022 0.000 1.175 57 A CA 1.763 53.789 52.037 -0.020 0.000 0.627 57 A CB -0.587 18.399 19.000 -0.023 0.000 0.815 57 A HN 0.454 nan 8.150 nan 0.000 0.443 58 R N -0.381 120.105 120.500 -0.024 0.000 2.117 58 R HA -0.173 4.167 4.340 -0.000 0.000 0.243 58 R C 1.631 177.917 176.300 -0.023 0.000 1.143 58 R CA 1.748 57.832 56.100 -0.026 0.000 0.968 58 R CB -0.113 30.170 30.300 -0.028 0.000 0.863 58 R HN 0.521 nan 8.270 nan 0.000 0.444 59 E N 0.247 120.436 120.200 -0.020 0.000 2.122 59 E HA -0.015 4.335 4.350 -0.000 0.000 0.190 59 E C 0.704 177.295 176.600 -0.016 0.000 0.977 59 E CA 0.070 56.459 56.400 -0.017 0.000 0.820 59 E CB 0.048 29.739 29.700 -0.015 0.000 0.770 59 E HN 0.225 nan 8.360 nan 0.000 0.462 60 I N 2.290 122.851 120.570 -0.015 0.000 2.752 60 I HA -0.072 4.098 4.170 -0.000 0.000 0.289 60 I C 0.531 176.640 176.117 -0.013 0.000 1.197 60 I CA 0.978 62.271 61.300 -0.013 0.000 1.432 60 I CB -0.226 37.768 38.000 -0.011 0.000 1.359 60 I HN 0.097 nan 8.210 nan 0.000 0.571 61 E N 7.161 127.354 120.200 -0.012 0.000 2.651 61 E HA 0.251 4.601 4.350 -0.000 0.000 0.360 61 E C -1.389 175.204 176.600 -0.011 0.000 0.932 61 E CA -0.454 55.938 56.400 -0.013 0.000 0.761 61 E CB 0.877 30.568 29.700 -0.015 0.000 1.462 61 E HN 0.439 nan 8.360 nan 0.000 0.392 62 L N 2.529 123.748 121.223 -0.008 0.000 2.476 62 L HA 0.251 4.591 4.340 -0.000 0.000 0.255 62 L C 1.755 178.620 176.870 -0.009 0.000 1.218 62 L CA -0.009 54.829 54.840 -0.004 0.000 0.819 62 L CB 0.421 42.482 42.059 0.004 0.000 1.119 62 L HN 0.680 nan 8.230 nan 0.000 0.485 63 E N 0.159 120.356 120.200 -0.005 0.000 2.086 63 E HA -0.143 4.207 4.350 -0.000 0.000 0.190 63 E C 0.501 177.094 176.600 -0.012 0.000 0.975 63 E CA 0.111 56.505 56.400 -0.009 0.000 0.813 63 E CB 0.267 29.964 29.700 -0.005 0.000 0.768 63 E HN 0.655 nan 8.360 nan 0.000 0.457 64 D N 1.228 121.631 120.400 0.006 0.000 2.389 64 D HA -0.076 4.564 4.640 -0.000 0.000 0.263 64 D C 0.758 177.049 176.300 -0.015 0.000 1.255 64 D CA 0.019 54.031 54.000 0.021 0.000 0.914 64 D CB 0.797 41.637 40.800 0.067 0.000 1.116 64 D HN 0.065 nan 8.370 nan 0.000 0.502 65 K N 3.783 124.124 120.400 -0.098 0.000 2.107 65 K HA -0.225 4.095 4.320 -0.000 0.000 0.211 65 K C 1.868 178.320 176.600 -0.247 0.000 1.049 65 K CA 1.394 57.547 56.287 -0.224 0.000 0.927 65 K CB -0.553 31.715 32.500 -0.388 0.000 0.714 65 K HN 0.470 nan 8.250 nan 0.000 0.452 66 F N 1.522 121.459 119.950 -0.021 0.000 2.098 66 F HA -0.038 4.489 4.527 -0.000 0.000 0.294 66 F C 2.535 178.324 175.800 -0.019 0.000 1.107 66 F CA 1.028 59.013 58.000 -0.024 0.000 1.234 66 F CB -0.658 38.325 39.000 -0.027 0.000 1.002 66 F HN 0.086 nan 8.300 nan 0.000 0.472 67 E N 0.040 120.346 120.200 0.176 0.000 2.130 67 E HA -0.279 4.071 4.350 -0.000 0.000 0.196 67 E C 1.859 178.489 176.600 0.051 0.000 0.998 67 E CA 1.434 57.889 56.400 0.092 0.000 0.806 67 E CB -0.315 29.424 29.700 0.066 0.000 0.738 67 E HN 0.312 nan 8.360 nan 0.000 0.459 68 N N 0.481 119.198 118.700 0.028 0.000 2.025 68 N HA -0.181 4.559 4.740 -0.000 0.000 0.194 68 N C 1.745 177.258 175.510 0.005 0.000 1.044 68 N CA 1.558 54.610 53.050 0.002 0.000 0.851 68 N CB -0.057 38.416 38.487 -0.023 0.000 1.036 68 N HN 0.035 nan 8.380 nan 0.000 0.422 69 M N -0.342 119.260 119.600 0.003 0.000 2.103 69 M HA -0.199 4.281 4.480 -0.000 0.000 0.255 69 M C 2.189 178.503 176.300 0.023 0.000 1.074 69 M CA 2.075 57.380 55.300 0.009 0.000 1.090 69 M CB -0.974 31.642 32.600 0.025 0.000 1.325 69 M HN 0.405 nan 8.290 nan 0.000 0.403 70 G N -0.424 108.401 108.800 0.040 0.000 2.491 70 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.218 70 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.218 70 G C 1.587 176.498 174.900 0.019 0.000 1.180 70 G CA 1.244 46.364 45.100 0.033 0.000 0.774 70 G HN 0.592 nan 8.290 nan 0.000 0.562 71 A N -0.447 122.382 122.820 0.015 0.000 1.898 71 A HA -0.026 4.294 4.320 -0.000 0.000 0.216 71 A C 2.372 179.956 177.584 0.000 0.000 1.181 71 A CA 1.863 53.904 52.037 0.006 0.000 0.620 71 A CB -0.340 18.662 19.000 0.004 0.000 0.819 71 A HN 0.311 nan 8.150 nan 0.000 0.442 72 Q N -0.839 118.960 119.800 -0.002 0.000 2.291 72 Q HA -0.055 4.285 4.340 -0.000 0.000 0.206 72 Q C 2.021 178.017 176.000 -0.007 0.000 0.976 72 Q CA 1.146 56.944 55.803 -0.008 0.000 0.875 72 Q CB -0.351 28.380 28.738 -0.012 0.000 0.927 72 Q HN 0.766 nan 8.270 nan 0.000 0.450 73 M N -0.356 119.245 119.600 0.001 0.000 2.156 73 M HA -0.115 4.365 4.480 -0.000 0.000 0.264 73 M C 2.176 178.478 176.300 0.002 0.000 1.067 73 M CA 1.166 56.468 55.300 0.004 0.000 1.131 73 M CB -0.136 32.472 32.600 0.013 0.000 1.368 73 M HN 0.142 nan 8.290 nan 0.000 0.416 74 V N -1.632 118.284 119.914 0.003 0.000 2.809 74 V HA -0.146 3.974 4.120 -0.000 0.000 0.256 74 V C 1.818 177.905 176.094 -0.013 0.000 1.080 74 V CA 1.501 63.803 62.300 0.003 0.000 1.102 74 V CB -0.697 31.130 31.823 0.007 0.000 0.705 74 V HN 0.382 nan 8.190 nan 0.000 0.475 75 K N 0.467 120.856 120.400 -0.018 0.000 2.062 75 K HA -0.133 4.187 4.320 -0.000 0.000 0.205 75 K C 2.288 178.860 176.600 -0.046 0.000 1.051 75 K CA 1.637 57.905 56.287 -0.031 0.000 0.941 75 K CB -0.245 32.239 32.500 -0.027 0.000 0.719 75 K HN 0.719 nan 8.250 nan 0.000 0.440 76 E N 1.081 121.258 120.200 -0.039 0.000 2.049 76 E HA -0.223 4.127 4.350 -0.000 0.000 0.198 76 E C 2.001 178.551 176.600 -0.084 0.000 1.007 76 E CA 2.062 58.432 56.400 -0.049 0.000 0.809 76 E CB -0.007 29.676 29.700 -0.028 0.000 0.749 76 E HN 0.199 nan 8.360 nan 0.000 0.450 77 V N -0.762 119.110 119.914 -0.070 0.000 2.283 77 V HA -0.015 4.105 4.120 -0.000 0.000 0.243 77 V C 2.469 178.438 176.094 -0.208 0.000 1.039 77 V CA 1.797 64.026 62.300 -0.119 0.000 1.016 77 V CB -1.160 30.672 31.823 0.014 0.000 0.650 77 V HN 0.324 nan 8.190 nan 0.000 0.449 78 A N 1.529 124.287 122.820 -0.102 0.000 2.042 78 A HA -0.240 4.080 4.320 -0.000 0.000 0.222 78 A C 2.541 180.037 177.584 -0.147 0.000 1.167 78 A CA 3.115 55.096 52.037 -0.094 0.000 0.649 78 A CB -1.177 17.798 19.000 -0.042 0.000 0.809 78 A HN 1.115 nan 8.150 nan 0.000 0.457 79 S N -0.558 115.049 115.700 -0.156 0.000 2.436 79 S HA -0.069 4.401 4.470 -0.000 0.000 0.228 79 S C 1.706 176.170 174.600 -0.228 0.000 1.014 79 S CA 1.026 59.138 58.200 -0.148 0.000 0.950 79 S CB -0.284 62.853 63.200 -0.106 0.000 0.784 79 S HN 0.623 nan 8.310 nan 0.000 0.504 80 K N 1.649 121.825 120.400 -0.373 0.000 2.211 80 K HA 0.009 4.329 4.320 -0.000 0.000 0.204 80 K C 2.339 178.588 176.600 -0.585 0.000 1.047 80 K CA 1.228 57.183 56.287 -0.554 0.000 0.935 80 K CB -0.461 31.477 32.500 -0.937 0.000 0.728 80 K HN 0.544 nan 8.250 nan 0.000 0.452 81 A N 1.240 123.754 122.820 -0.512 0.000 1.929 81 A HA -0.145 4.175 4.320 -0.000 0.000 0.216 81 A C 1.879 179.428 177.584 -0.059 0.000 1.176 81 A CA 1.512 53.473 52.037 -0.128 0.000 0.628 81 A CB -0.441 18.577 19.000 0.029 0.000 0.816 81 A HN 0.266 nan 8.150 nan 0.000 0.444 82 N N 0.088 118.727 118.700 -0.101 0.000 2.270 82 N HA -0.110 4.630 4.740 -0.000 0.000 0.181 82 N C 0.994 176.447 175.510 -0.096 0.000 1.016 82 N CA 1.338 54.337 53.050 -0.086 0.000 0.870 82 N CB -0.102 38.331 38.487 -0.089 0.000 0.979 82 N HN 0.334 nan 8.380 nan 0.000 0.431 83 D N -0.750 119.592 120.400 -0.097 0.000 2.312 83 D HA 0.017 4.657 4.640 -0.000 0.000 0.211 83 D C 1.337 177.619 176.300 -0.030 0.000 0.964 83 D CA 0.562 54.518 54.000 -0.072 0.000 0.877 83 D CB 0.088 40.845 40.800 -0.072 0.000 0.924 83 D HN 0.403 nan 8.370 nan 0.000 0.515 84 A N 0.261 123.078 122.820 -0.004 0.000 1.956 84 A HA 0.368 4.688 4.320 -0.000 0.000 0.212 84 A C 1.872 179.489 177.584 0.054 0.000 1.188 84 A CA 1.023 53.092 52.037 0.053 0.000 0.675 84 A CB 0.302 19.380 19.000 0.130 0.000 0.845 84 A HN 0.149 nan 8.150 nan 0.000 0.455 85 A N -1.984 120.856 122.820 0.033 0.000 2.545 85 A HA 0.478 4.798 4.320 -0.000 0.000 0.263 85 A C 1.467 179.046 177.584 -0.009 0.000 1.202 85 A CA 0.935 52.993 52.037 0.036 0.000 0.959 85 A CB -0.509 18.517 19.000 0.044 0.000 1.124 85 A HN 1.784 nan 8.150 nan 0.000 0.543 86 G N -0.385 108.354 108.800 -0.102 0.000 2.168 86 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.257 86 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.257 86 G C -0.128 174.687 174.900 -0.142 0.000 0.997 86 G CA 0.993 45.938 45.100 -0.258 0.000 0.708 86 G HN 1.052 nan 8.290 nan 0.000 0.520 87 D N -3.151 117.205 120.400 -0.074 0.000 2.807 87 D HA 0.568 5.208 4.640 -0.000 0.000 0.279 87 D C 0.481 176.769 176.300 -0.020 0.000 1.247 87 D CA 1.332 55.306 54.000 -0.045 0.000 0.749 87 D CB -0.063 40.721 40.800 -0.028 0.000 1.264 87 D HN 1.536 nan 8.370 nan 0.000 0.421 88 G N 0.112 108.903 108.800 -0.014 0.000 2.270 88 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.224 88 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.224 88 G C 0.666 175.565 174.900 -0.002 0.000 1.079 88 G CA 0.584 45.684 45.100 0.001 0.000 0.807 88 G HN 0.505 nan 8.290 nan 0.000 0.492 89 T N 0.088 114.631 114.554 -0.018 0.000 2.904 89 T HA 0.014 4.364 4.350 -0.000 0.000 0.243 89 T C 2.692 177.384 174.700 -0.013 0.000 1.024 89 T CA 1.985 64.070 62.100 -0.025 0.000 1.158 89 T CB -0.296 68.548 68.868 -0.041 0.000 0.867 89 T HN 0.417 nan 8.240 nan 0.000 0.429 90 T N 2.400 116.946 114.554 -0.013 0.000 2.699 90 T HA -0.167 4.183 4.350 -0.000 0.000 0.268 90 T C 2.138 176.838 174.700 -0.000 0.000 1.036 90 T CA 1.911 64.006 62.100 -0.008 0.000 1.147 90 T CB -0.912 67.951 68.868 -0.008 0.000 0.862 90 T HN 0.418 nan 8.240 nan 0.000 0.446 91 T N 2.423 116.979 114.554 0.003 0.000 2.595 91 T HA -0.088 4.262 4.350 -0.000 0.000 0.264 91 T C 2.480 177.191 174.700 0.019 0.000 1.058 91 T CA 1.326 63.432 62.100 0.011 0.000 1.166 91 T CB -0.897 67.980 68.868 0.014 0.000 0.863 91 T HN 0.476 nan 8.240 nan 0.000 0.415 92 A N 1.333 124.168 122.820 0.026 0.000 1.997 92 A HA -0.204 4.116 4.320 -0.000 0.000 0.221 92 A C 2.524 180.126 177.584 0.029 0.000 1.172 92 A CA 2.335 54.397 52.037 0.041 0.000 0.645 92 A CB -1.404 17.630 19.000 0.056 0.000 0.813 92 A HN 0.537 nan 8.150 nan 0.000 0.454 93 T N -0.431 114.131 114.554 0.014 0.000 2.698 93 T HA -0.113 4.237 4.350 -0.000 0.000 0.260 93 T C 2.023 176.730 174.700 0.011 0.000 1.044 93 T CA 1.953 64.059 62.100 0.010 0.000 1.149 93 T CB -0.840 68.028 68.868 0.001 0.000 0.864 93 T HN 0.767 nan 8.240 nan 0.000 0.419 94 V N 0.720 120.640 119.914 0.010 0.000 2.688 94 V HA -0.058 4.062 4.120 -0.000 0.000 0.256 94 V C 2.095 178.197 176.094 0.013 0.000 1.084 94 V CA 1.471 63.776 62.300 0.009 0.000 1.103 94 V CB -1.032 30.795 31.823 0.008 0.000 0.688 94 V HN 0.448 nan 8.190 nan 0.000 0.480 95 L N 0.204 121.437 121.223 0.017 0.000 2.044 95 L HA 0.055 4.395 4.340 -0.000 0.000 0.205 95 L C 3.012 179.894 176.870 0.020 0.000 1.075 95 L CA 1.575 56.427 54.840 0.020 0.000 0.747 95 L CB -0.818 41.257 42.059 0.026 0.000 0.903 95 L HN 0.443 nan 8.230 nan 0.000 0.435 96 A N -0.653 122.181 122.820 0.023 0.000 1.930 96 A HA -0.269 4.051 4.320 -0.000 0.000 0.217 96 A C 2.203 179.797 177.584 0.017 0.000 1.175 96 A CA 1.661 53.712 52.037 0.023 0.000 0.627 96 A CB -0.514 18.502 19.000 0.027 0.000 0.815 96 A HN 0.499 nan 8.150 nan 0.000 0.443 97 Q N -0.337 119.471 119.800 0.014 0.000 2.050 97 Q HA -0.155 4.185 4.340 -0.000 0.000 0.202 97 Q C 2.210 178.217 176.000 0.011 0.000 0.980 97 Q CA 1.740 57.549 55.803 0.011 0.000 0.840 97 Q CB -0.381 28.362 28.738 0.009 0.000 0.898 97 Q HN 0.588 nan 8.270 nan 0.000 0.424 98 A N 1.178 124.004 122.820 0.011 0.000 1.851 98 A HA -0.223 4.097 4.320 -0.000 0.000 0.216 98 A C 2.046 179.636 177.584 0.010 0.000 1.195 98 A CA 1.757 53.800 52.037 0.010 0.000 0.622 98 A CB -0.979 18.028 19.000 0.010 0.000 0.831 98 A HN 0.513 nan 8.150 nan 0.000 0.444 99 I N -0.243 120.334 120.570 0.012 0.000 2.091 99 I HA -0.323 3.847 4.170 -0.000 0.000 0.239 99 I C 2.436 178.560 176.117 0.011 0.000 1.061 99 I CA 1.839 63.146 61.300 0.012 0.000 1.317 99 I CB -0.526 37.483 38.000 0.014 0.000 1.031 99 I HN 0.341 nan 8.210 nan 0.000 0.401 100 I N 0.300 120.877 120.570 0.012 0.000 2.208 100 I HA -0.300 3.870 4.170 -0.000 0.000 0.245 100 I C 2.610 178.733 176.117 0.009 0.000 1.097 100 I CA 1.670 62.977 61.300 0.011 0.000 1.363 100 I CB -0.705 37.302 38.000 0.013 0.000 1.051 100 I HN 0.315 nan 8.210 nan 0.000 0.413 101 T N 0.410 114.969 114.554 0.008 0.000 2.595 101 T HA -0.178 4.172 4.350 -0.000 0.000 0.264 101 T C 1.811 176.514 174.700 0.006 0.000 1.058 101 T CA 1.423 63.527 62.100 0.007 0.000 1.166 101 T CB -0.222 68.650 68.868 0.006 0.000 0.863 101 T HN 0.314 nan 8.240 nan 0.000 0.415 102 E N 0.674 120.878 120.200 0.006 0.000 2.110 102 E HA -0.040 4.310 4.350 -0.000 0.000 0.193 102 E C 2.490 179.093 176.600 0.005 0.000 0.988 102 E CA 1.045 57.448 56.400 0.005 0.000 0.804 102 E CB -0.866 28.837 29.700 0.005 0.000 0.745 102 E HN 0.575 nan 8.360 nan 0.000 0.458 103 G N 1.847 110.651 108.800 0.006 0.000 2.511 103 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.216 103 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.216 103 G C 1.703 176.606 174.900 0.006 0.000 1.218 103 G CA 0.722 45.825 45.100 0.007 0.000 0.788 103 G HN 0.199 nan 8.290 nan 0.000 0.560 104 L N 0.219 121.445 121.223 0.006 0.000 2.265 104 L HA -0.046 4.294 4.340 -0.000 0.000 0.215 104 L C 2.765 179.637 176.870 0.003 0.000 1.117 104 L CA 1.292 56.135 54.840 0.005 0.000 0.782 104 L CB -0.305 41.756 42.059 0.004 0.000 0.914 104 L HN 0.261 nan 8.230 nan 0.000 0.441 105 K N 0.537 120.939 120.400 0.003 0.000 2.057 105 K HA -0.129 4.191 4.320 -0.000 0.000 0.206 105 K C 2.179 178.780 176.600 0.003 0.000 1.050 105 K CA 1.223 57.511 56.287 0.003 0.000 0.935 105 K CB -0.047 32.455 32.500 0.003 0.000 0.715 105 K HN 0.248 nan 8.250 nan 0.000 0.439 106 A N 0.293 123.115 122.820 0.003 0.000 1.969 106 A HA -0.060 4.260 4.320 -0.000 0.000 0.218 106 A C 2.150 179.736 177.584 0.003 0.000 1.169 106 A CA 1.276 53.315 52.037 0.003 0.000 0.635 106 A CB -0.421 18.582 19.000 0.004 0.000 0.810 106 A HN 0.151 nan 8.150 nan 0.000 0.445 107 V N -0.061 119.856 119.914 0.004 0.000 2.307 107 V HA -0.239 3.881 4.120 -0.000 0.000 0.245 107 V C 3.046 179.142 176.094 0.003 0.000 1.045 107 V CA 1.876 64.179 62.300 0.004 0.000 1.024 107 V CB -1.253 30.573 31.823 0.006 0.000 0.651 107 V HN 0.587 nan 8.190 nan 0.000 0.449 108 A N 0.188 123.010 122.820 0.002 0.000 1.978 108 A HA -0.090 4.230 4.320 -0.000 0.000 0.220 108 A C 2.236 179.820 177.584 0.001 0.000 1.170 108 A CA 1.754 53.791 52.037 0.001 0.000 0.636 108 A CB -0.691 18.309 19.000 0.000 0.000 0.810 108 A HN 0.623 nan 8.150 nan 0.000 0.448 109 A N -1.691 121.130 122.820 0.001 0.000 2.264 109 A HA 0.355 4.675 4.320 -0.000 0.000 0.207 109 A C 1.938 179.523 177.584 0.001 0.000 1.196 109 A CA 1.319 53.356 52.037 0.001 0.000 0.778 109 A CB -1.204 17.797 19.000 0.001 0.000 0.779 109 A HN 1.907 nan 8.150 nan 0.000 0.483 110 G N -1.849 106.952 108.800 0.001 0.000 2.225 110 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.254 110 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.254 110 G C 0.414 175.315 174.900 0.002 0.000 0.988 110 G CA 0.436 45.537 45.100 0.001 0.000 0.625 110 G HN 0.448 nan 8.290 nan 0.000 0.527 111 M N 0.507 120.108 119.600 0.002 0.000 2.184 111 M HA 0.163 4.643 4.480 -0.000 0.000 0.296 111 M C 0.871 177.173 176.300 0.004 0.000 1.165 111 M CA -0.082 55.220 55.300 0.003 0.000 1.175 111 M CB 0.087 32.689 32.600 0.003 0.000 1.392 111 M HN 0.269 nan 8.290 nan 0.000 0.457 112 N N 1.135 119.837 118.700 0.004 0.000 2.514 112 N HA 0.183 4.923 4.740 -0.000 0.000 0.277 112 N C -2.297 173.216 175.510 0.006 0.000 1.126 112 N CA -1.553 51.500 53.050 0.005 0.000 0.978 112 N CB 1.529 40.018 38.487 0.004 0.000 1.106 112 N HN 0.199 nan 8.380 nan 0.000 0.461 113 P HA 0.013 nan 4.420 nan 0.000 0.214 113 P C 1.666 178.971 177.300 0.009 0.000 1.162 113 P CA 1.135 64.241 63.100 0.009 0.000 0.871 113 P CB 0.211 31.919 31.700 0.012 0.000 0.783 114 M N -0.500 119.105 119.600 0.009 0.000 2.346 114 M HA -0.151 4.329 4.480 -0.000 0.000 0.263 114 M C 1.205 177.508 176.300 0.006 0.000 1.064 114 M CA 1.578 56.883 55.300 0.008 0.000 1.083 114 M CB -1.415 31.190 32.600 0.008 0.000 1.399 114 M HN 0.046 nan 8.290 nan 0.000 0.435 115 D N -0.215 120.188 120.400 0.005 0.000 2.201 115 D HA 0.050 4.690 4.640 -0.000 0.000 0.209 115 D C 2.249 178.552 176.300 0.004 0.000 0.961 115 D CA 0.575 54.577 54.000 0.004 0.000 0.861 115 D CB 0.153 40.956 40.800 0.004 0.000 0.997 115 D HN 0.303 nan 8.370 nan 0.000 0.486 116 L N 1.295 122.521 121.223 0.005 0.000 2.043 116 L HA -0.223 4.117 4.340 -0.000 0.000 0.212 116 L C 2.582 179.454 176.870 0.005 0.000 1.075 116 L CA 1.274 56.117 54.840 0.005 0.000 0.752 116 L CB -0.354 41.708 42.059 0.006 0.000 0.891 116 L HN 0.021 nan 8.230 nan 0.000 0.432 117 K N 0.515 120.918 120.400 0.006 0.000 1.969 117 K HA -0.262 4.058 4.320 -0.000 0.000 0.216 117 K C 2.297 178.899 176.600 0.003 0.000 1.048 117 K CA 1.734 58.024 56.287 0.005 0.000 0.948 117 K CB -0.183 32.321 32.500 0.007 0.000 0.726 117 K HN 0.026 nan 8.250 nan 0.000 0.442 118 R N -0.249 120.253 120.500 0.003 0.000 2.133 118 R HA -0.150 4.190 4.340 -0.000 0.000 0.247 118 R C 2.295 178.595 176.300 0.000 0.000 1.151 118 R CA 1.855 57.955 56.100 0.001 0.000 0.971 118 R CB -0.659 29.642 30.300 0.001 0.000 0.866 118 R HN 0.522 nan 8.270 nan 0.000 0.447 119 G N 0.246 109.047 108.800 0.001 0.000 2.432 119 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.219 119 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.219 119 G C 1.389 176.290 174.900 0.001 0.000 1.135 119 G CA 0.776 45.877 45.100 0.001 0.000 0.767 119 G HN 0.283 nan 8.290 nan 0.000 0.550 120 I N 0.754 121.325 120.570 0.001 0.000 2.233 120 I HA -0.066 4.104 4.170 -0.000 0.000 0.243 120 I C 2.043 178.159 176.117 -0.002 0.000 1.093 120 I CA 0.905 62.206 61.300 0.001 0.000 1.380 120 I CB -0.093 37.909 38.000 0.003 0.000 1.067 120 I HN 0.012 nan 8.210 nan 0.000 0.413 121 D N 0.825 121.223 120.400 -0.003 0.000 2.218 121 D HA -0.200 4.440 4.640 -0.000 0.000 0.204 121 D C 1.981 178.275 176.300 -0.009 0.000 0.976 121 D CA 1.072 55.067 54.000 -0.008 0.000 0.853 121 D CB -0.081 40.714 40.800 -0.008 0.000 0.939 121 D HN 0.324 nan 8.370 nan 0.000 0.481 122 K N 0.816 121.213 120.400 -0.005 0.000 2.021 122 K HA 0.006 4.326 4.320 -0.000 0.000 0.205 122 K C 2.074 178.671 176.600 -0.004 0.000 1.047 122 K CA 1.032 57.316 56.287 -0.005 0.000 0.943 122 K CB -0.059 32.439 32.500 -0.003 0.000 0.725 122 K HN -0.041 nan 8.250 nan 0.000 0.439 123 A N 0.682 123.501 122.820 -0.002 0.000 2.032 123 A HA -0.139 4.181 4.320 -0.000 0.000 0.221 123 A C 2.144 179.726 177.584 -0.003 0.000 1.165 123 A CA 1.830 53.867 52.037 -0.001 0.000 0.645 123 A CB -0.581 18.419 19.000 0.001 0.000 0.807 123 A HN 0.215 nan 8.150 nan 0.000 0.453 124 V N -1.713 118.197 119.914 -0.006 0.000 2.331 124 V HA -0.141 3.979 4.120 -0.000 0.000 0.242 124 V C 2.612 178.698 176.094 -0.014 0.000 1.034 124 V CA 2.144 64.438 62.300 -0.011 0.000 1.027 124 V CB -1.072 30.741 31.823 -0.016 0.000 0.667 124 V HN 0.540 nan 8.190 nan 0.000 0.457 125 T N 0.358 114.903 114.554 -0.016 0.000 2.721 125 T HA -0.279 4.071 4.350 -0.000 0.000 0.268 125 T C 1.909 176.603 174.700 -0.011 0.000 1.038 125 T CA 2.022 64.112 62.100 -0.016 0.000 1.145 125 T CB -0.302 68.558 68.868 -0.014 0.000 0.858 125 T HN 0.565 nan 8.240 nan 0.000 0.459 126 A N 0.919 123.735 122.820 -0.007 0.000 1.854 126 A HA 0.305 4.625 4.320 -0.000 0.000 0.214 126 A C 2.656 180.238 177.584 -0.002 0.000 1.192 126 A CA 1.668 53.703 52.037 -0.003 0.000 0.611 126 A CB -1.189 17.810 19.000 -0.001 0.000 0.832 126 A HN 0.513 nan 8.150 nan 0.000 0.442 127 A N -0.466 122.353 122.820 -0.002 0.000 1.986 127 A HA -0.061 4.259 4.320 -0.000 0.000 0.220 127 A C 2.178 179.762 177.584 -0.001 0.000 1.171 127 A CA 1.945 53.983 52.037 0.001 0.000 0.640 127 A CB -0.879 18.122 19.000 0.001 0.000 0.811 127 A HN 0.408 nan 8.150 nan 0.000 0.451 128 V N -0.074 119.836 119.914 -0.007 0.000 2.453 128 V HA -0.159 3.961 4.120 -0.000 0.000 0.247 128 V C 2.490 178.581 176.094 -0.005 0.000 1.048 128 V CA 1.956 64.250 62.300 -0.010 0.000 1.049 128 V CB -0.561 31.251 31.823 -0.020 0.000 0.672 128 V HN 0.517 nan 8.190 nan 0.000 0.457 129 E N -0.017 120.181 120.200 -0.004 0.000 2.112 129 E HA -0.182 4.168 4.350 -0.000 0.000 0.190 129 E C 2.142 178.744 176.600 0.003 0.000 0.979 129 E CA 0.807 57.206 56.400 -0.001 0.000 0.814 129 E CB -0.126 29.573 29.700 -0.001 0.000 0.762 129 E HN 0.583 nan 8.360 nan 0.000 0.460 130 E N 0.444 120.646 120.200 0.004 0.000 2.472 130 E HA -0.104 4.246 4.350 -0.000 0.000 0.200 130 E C 1.612 178.218 176.600 0.010 0.000 1.046 130 E CA 0.219 56.623 56.400 0.007 0.000 0.871 130 E CB -0.003 29.702 29.700 0.008 0.000 0.806 130 E HN 0.055 nan 8.360 nan 0.000 0.533 131 L N -0.242 120.986 121.223 0.008 0.000 2.357 131 L HA 0.164 4.504 4.340 -0.000 0.000 0.211 131 L C 1.633 178.508 176.870 0.010 0.000 1.075 131 L CA 1.005 55.851 54.840 0.010 0.000 0.830 131 L CB 0.062 42.126 42.059 0.007 0.000 0.996 131 L HN -0.100 nan 8.230 nan 0.000 0.467 132 K N -0.520 119.884 120.400 0.007 0.000 2.148 132 K HA -0.050 4.270 4.320 -0.000 0.000 0.204 132 K C 1.979 178.585 176.600 0.009 0.000 1.050 132 K CA 1.120 57.412 56.287 0.007 0.000 0.942 132 K CB -0.165 32.338 32.500 0.005 0.000 0.724 132 K HN 0.389 nan 8.250 nan 0.000 0.446 133 A N 1.251 124.077 122.820 0.010 0.000 1.929 133 A HA -0.070 4.250 4.320 -0.000 0.000 0.216 133 A C 1.995 179.587 177.584 0.014 0.000 1.176 133 A CA 0.814 52.858 52.037 0.011 0.000 0.628 133 A CB -0.386 18.620 19.000 0.011 0.000 0.816 133 A HN 0.243 nan 8.150 nan 0.000 0.444 134 L N -0.106 121.127 121.223 0.016 0.000 2.376 134 L HA 0.012 4.352 4.340 -0.000 0.000 0.219 134 L C 1.260 178.141 176.870 0.019 0.000 1.133 134 L CA 0.434 55.286 54.840 0.020 0.000 0.816 134 L CB -0.058 42.015 42.059 0.023 0.000 0.933 134 L HN 0.359 nan 8.230 nan 0.000 0.449 135 S N 0.164 115.874 115.700 0.016 0.000 2.509 135 S HA 0.091 4.561 4.470 -0.000 0.000 0.287 135 S C -0.039 174.570 174.600 0.015 0.000 1.248 135 S CA -0.579 57.630 58.200 0.015 0.000 1.089 135 S CB 0.265 63.472 63.200 0.013 0.000 0.900 135 S HN 0.067 nan 8.310 nan 0.000 0.496 136 V N 9.384 129.308 119.914 0.015 0.000 2.470 136 V HA 0.238 4.358 4.120 -0.000 0.000 0.276 136 V C -1.678 174.423 176.094 0.013 0.000 1.040 136 V CA -1.544 60.765 62.300 0.015 0.000 1.008 136 V CB 0.441 32.273 31.823 0.015 0.000 0.990 136 V HN 0.759 nan 8.190 nan 0.000 0.477 137 P HA 0.076 nan 4.420 nan 0.000 0.272 137 P C -0.411 176.894 177.300 0.010 0.000 1.243 137 P CA -0.122 62.984 63.100 0.010 0.000 0.803 137 P CB 0.332 32.038 31.700 0.009 0.000 0.974 138 C N 0.700 120.005 119.300 0.009 0.000 3.212 138 C HA 0.396 4.856 4.460 -0.000 0.000 0.367 138 C C 0.749 175.743 174.990 0.007 0.000 0.979 138 C CA 0.061 59.083 59.018 0.008 0.000 1.283 138 C CB -1.219 26.527 27.740 0.009 0.000 1.644 138 C HN 0.535 nan 8.230 nan 0.000 0.575 139 S N 1.332 117.036 115.700 0.006 0.000 2.741 139 S HA 0.151 4.621 4.470 -0.000 0.000 0.245 139 S C 0.182 174.784 174.600 0.004 0.000 1.083 139 S CA 0.162 58.365 58.200 0.005 0.000 0.873 139 S CB 0.087 63.290 63.200 0.005 0.000 0.814 139 S HN 0.942 nan 8.310 nan 0.000 0.476 140 D N 2.515 122.917 120.400 0.004 0.000 2.390 140 D HA 0.059 4.699 4.640 -0.000 0.000 0.249 140 D C 0.940 177.241 176.300 0.002 0.000 1.144 140 D CA 0.191 54.193 54.000 0.003 0.000 0.880 140 D CB 1.097 41.899 40.800 0.003 0.000 1.182 140 D HN 0.213 nan 8.370 nan 0.000 0.451 141 S N 1.616 117.317 115.700 0.001 0.000 2.571 141 S HA -0.257 4.213 4.470 -0.000 0.000 0.245 141 S C 1.400 176.000 174.600 0.000 0.000 0.976 141 S CA 0.831 59.031 58.200 -0.000 0.000 0.954 141 S CB -0.354 62.846 63.200 -0.001 0.000 0.756 141 S HN 0.636 nan 8.310 nan 0.000 0.535 142 K N 0.787 121.188 120.400 0.001 0.000 2.243 142 K HA 0.206 4.526 4.320 -0.000 0.000 0.201 142 K C 2.087 178.689 176.600 0.002 0.000 1.051 142 K CA 0.809 57.096 56.287 0.001 0.000 0.970 142 K CB -0.378 32.123 32.500 0.002 0.000 0.755 142 K HN 0.453 nan 8.250 nan 0.000 0.465 143 A N 1.123 123.945 122.820 0.002 0.000 1.911 143 A HA 0.058 4.378 4.320 -0.000 0.000 0.212 143 A C 1.963 179.549 177.584 0.003 0.000 1.189 143 A CA 0.447 52.486 52.037 0.003 0.000 0.639 143 A CB -0.367 18.636 19.000 0.005 0.000 0.839 143 A HN 0.232 nan 8.150 nan 0.000 0.449 144 I N 0.329 120.900 120.570 0.002 0.000 2.091 144 I HA -0.363 3.807 4.170 -0.000 0.000 0.239 144 I C 2.907 179.024 176.117 0.000 0.000 1.061 144 I CA 1.445 62.745 61.300 0.001 0.000 1.317 144 I CB -0.355 37.644 38.000 -0.001 0.000 1.031 144 I HN 0.352 nan 8.210 nan 0.000 0.401 145 A N -0.337 122.482 122.820 -0.001 0.000 2.131 145 A HA -0.287 4.033 4.320 -0.000 0.000 0.220 145 A C 2.151 179.735 177.584 -0.000 0.000 1.158 145 A CA 2.102 54.138 52.037 -0.001 0.000 0.665 145 A CB -0.543 18.456 19.000 -0.001 0.000 0.795 145 A HN 0.556 nan 8.150 nan 0.000 0.460 146 Q N -0.875 118.925 119.800 0.001 0.000 2.259 146 Q HA 0.029 4.369 4.340 -0.000 0.000 0.201 146 Q C 1.740 177.741 176.000 0.001 0.000 0.938 146 Q CA 1.485 57.288 55.803 0.001 0.000 0.872 146 Q CB -0.165 28.573 28.738 0.001 0.000 0.971 146 Q HN 0.281 nan 8.270 nan 0.000 0.494 147 V N 0.323 120.239 119.914 0.003 0.000 2.307 147 V HA -0.117 4.003 4.120 -0.000 0.000 0.245 147 V C 2.239 178.336 176.094 0.005 0.000 1.045 147 V CA 1.852 64.154 62.300 0.004 0.000 1.024 147 V CB -1.288 30.539 31.823 0.007 0.000 0.651 147 V HN 0.600 nan 8.190 nan 0.000 0.449 148 G N -0.451 108.352 108.800 0.004 0.000 2.469 148 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.220 148 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.220 148 G C 1.675 176.577 174.900 0.003 0.000 1.136 148 G CA 1.737 46.840 45.100 0.004 0.000 0.759 148 G HN 0.475 nan 8.290 nan 0.000 0.562 149 T N 1.241 115.795 114.554 0.001 0.000 2.668 149 T HA -0.019 4.331 4.350 -0.000 0.000 0.262 149 T C 2.408 177.107 174.700 -0.001 0.000 1.045 149 T CA 0.987 63.087 62.100 -0.001 0.000 1.152 149 T CB -0.200 68.667 68.868 -0.002 0.000 0.864 149 T HN 0.259 nan 8.240 nan 0.000 0.419 150 I N 1.231 121.800 120.570 -0.002 0.000 2.335 150 I HA -0.119 4.051 4.170 -0.000 0.000 0.251 150 I C 1.384 177.500 176.117 -0.003 0.000 1.129 150 I CA 0.841 62.139 61.300 -0.004 0.000 1.402 150 I CB -0.317 37.680 38.000 -0.005 0.000 1.069 150 I HN 0.063 nan 8.210 nan 0.000 0.424 151 S N 1.271 116.972 115.700 0.002 0.000 3.456 151 S HA 0.491 4.961 4.470 -0.000 0.000 0.229 151 S C 0.467 175.071 174.600 0.006 0.000 1.416 151 S CA 0.282 58.485 58.200 0.006 0.000 1.197 151 S CB -0.138 63.070 63.200 0.014 0.000 1.201 151 S HN 0.477 nan 8.310 nan 0.000 0.479 152 A N 1.629 124.449 122.820 0.001 0.000 2.297 152 A HA 0.364 4.684 4.320 -0.000 0.000 0.230 152 A C 0.331 177.913 177.584 -0.003 0.000 2.091 152 A CA -0.867 51.170 52.037 0.001 0.000 1.861 152 A CB -0.986 18.016 19.000 0.003 0.000 0.755 152 A HN 0.352 nan 8.150 nan 0.000 0.905 153 N N 0.685 119.381 118.700 -0.006 0.000 2.666 153 N HA -0.215 4.525 4.740 -0.000 0.000 0.248 153 N C 0.404 175.908 175.510 -0.009 0.000 1.118 153 N CA 1.717 54.761 53.050 -0.009 0.000 0.722 153 N CB -1.034 37.448 38.487 -0.009 0.000 1.050 153 N HN 1.228 nan 8.380 nan 0.000 0.550 154 S N -1.762 113.933 115.700 -0.008 0.000 3.867 154 S HA -0.191 4.279 4.470 -0.000 0.000 0.334 154 S C -0.469 174.128 174.600 -0.006 0.000 1.069 154 S CA 0.569 58.764 58.200 -0.007 0.000 0.977 154 S CB -0.812 62.382 63.200 -0.010 0.000 0.889 154 S HN 0.592 nan 8.310 nan 0.000 0.484 155 D N 1.428 121.825 120.400 -0.004 0.000 2.479 155 D HA 0.195 4.835 4.640 -0.000 0.000 0.218 155 D C 1.147 177.445 176.300 -0.003 0.000 1.131 155 D CA -0.351 53.647 54.000 -0.004 0.000 0.916 155 D CB 0.426 41.224 40.800 -0.003 0.000 1.022 155 D HN 0.461 nan 8.370 nan 0.000 0.515 156 E N 1.249 121.447 120.200 -0.003 0.000 2.396 156 E HA -0.127 4.223 4.350 -0.000 0.000 0.200 156 E C 1.111 177.710 176.600 -0.003 0.000 1.023 156 E CA 0.851 57.249 56.400 -0.003 0.000 0.857 156 E CB 0.377 30.076 29.700 -0.003 0.000 0.775 156 E HN 0.498 nan 8.360 nan 0.000 0.525 157 T N 0.400 114.953 114.554 -0.003 0.000 2.732 157 T HA -0.100 4.250 4.350 -0.000 0.000 0.261 157 T C 2.163 176.861 174.700 -0.003 0.000 1.040 157 T CA 0.913 63.011 62.100 -0.003 0.000 1.145 157 T CB -0.231 68.635 68.868 -0.003 0.000 0.866 157 T HN -0.010 nan 8.240 nan 0.000 0.427 158 V N 1.812 121.724 119.914 -0.003 0.000 2.231 158 V HA -0.196 3.924 4.120 -0.000 0.000 0.248 158 V C 2.911 179.003 176.094 -0.003 0.000 1.054 158 V CA 2.184 64.482 62.300 -0.003 0.000 1.015 158 V CB -1.569 30.253 31.823 -0.001 0.000 0.638 158 V HN 0.624 nan 8.190 nan 0.000 0.444 159 G N -0.497 108.302 108.800 -0.002 0.000 2.513 159 G HA2 -0.394 3.566 3.960 -0.000 0.000 0.219 159 G HA3 -0.394 3.566 3.960 -0.000 0.000 0.219 159 G C 1.647 176.545 174.900 -0.004 0.000 1.160 159 G CA 1.419 46.518 45.100 -0.002 0.000 0.767 159 G HN 0.523 nan 8.290 nan 0.000 0.571 160 K N -0.074 120.323 120.400 -0.004 0.000 2.032 160 K HA 0.034 4.354 4.320 -0.000 0.000 0.209 160 K C 2.534 179.131 176.600 -0.005 0.000 1.048 160 K CA 1.013 57.297 56.287 -0.004 0.000 0.927 160 K CB -0.329 32.169 32.500 -0.004 0.000 0.712 160 K HN 0.347 nan 8.250 nan 0.000 0.441 161 L N 1.115 122.334 121.223 -0.006 0.000 2.013 161 L HA -0.245 4.095 4.340 -0.000 0.000 0.212 161 L C 2.418 179.283 176.870 -0.010 0.000 1.073 161 L CA 1.420 56.255 54.840 -0.008 0.000 0.753 161 L CB -0.281 41.773 42.059 -0.008 0.000 0.890 161 L HN 0.325 nan 8.230 nan 0.000 0.432 162 I N -0.602 119.962 120.570 -0.010 0.000 2.099 162 I HA -0.353 3.817 4.170 -0.000 0.000 0.239 162 I C 2.788 178.897 176.117 -0.012 0.000 1.066 162 I CA 1.339 62.631 61.300 -0.014 0.000 1.324 162 I CB -0.599 37.393 38.000 -0.013 0.000 1.037 162 I HN 0.295 nan 8.210 nan 0.000 0.401 163 A N 0.686 123.500 122.820 -0.009 0.000 1.873 163 A HA -0.287 4.033 4.320 -0.000 0.000 0.218 163 A C 2.169 179.749 177.584 -0.008 0.000 1.193 163 A CA 2.176 54.209 52.037 -0.007 0.000 0.629 163 A CB -0.878 18.119 19.000 -0.005 0.000 0.826 163 A HN 0.515 nan 8.150 nan 0.000 0.447 164 E N -0.429 119.767 120.200 -0.007 0.000 2.171 164 E HA -0.162 4.188 4.350 -0.000 0.000 0.197 164 E C 2.228 178.823 176.600 -0.009 0.000 0.997 164 E CA 0.939 57.335 56.400 -0.007 0.000 0.810 164 E CB -0.297 29.399 29.700 -0.007 0.000 0.738 164 E HN 0.671 nan 8.360 nan 0.000 0.467 165 A N 1.291 124.104 122.820 -0.011 0.000 1.843 165 A HA -0.115 4.205 4.320 -0.000 0.000 0.213 165 A C 2.174 179.750 177.584 -0.013 0.000 1.202 165 A CA 0.978 53.007 52.037 -0.014 0.000 0.607 165 A CB -0.430 18.559 19.000 -0.018 0.000 0.847 165 A HN 0.090 nan 8.150 nan 0.000 0.445 166 M N -0.369 119.223 119.600 -0.014 0.000 2.260 166 M HA -0.210 4.270 4.480 -0.000 0.000 0.261 166 M C 1.727 178.022 176.300 -0.009 0.000 1.066 166 M CA 2.023 57.315 55.300 -0.013 0.000 1.082 166 M CB -0.645 31.948 32.600 -0.012 0.000 1.388 166 M HN 0.587 nan 8.290 nan 0.000 0.419 167 D N 0.462 120.857 120.400 -0.008 0.000 2.224 167 D HA -0.108 4.532 4.640 -0.000 0.000 0.205 167 D C 1.823 178.120 176.300 -0.006 0.000 0.965 167 D CA 1.189 55.186 54.000 -0.006 0.000 0.852 167 D CB 0.190 40.987 40.800 -0.005 0.000 0.947 167 D HN 0.233 nan 8.370 nan 0.000 0.494 168 K N -0.654 119.742 120.400 -0.007 0.000 2.186 168 K HA 0.023 4.343 4.320 -0.000 0.000 0.202 168 K C 1.562 178.158 176.600 -0.007 0.000 1.052 168 K CA 1.070 57.353 56.287 -0.007 0.000 0.965 168 K CB 0.674 33.169 32.500 -0.008 0.000 0.746 168 K HN 0.205 nan 8.250 nan 0.000 0.457 169 V N -3.391 116.518 119.914 -0.008 0.000 3.477 169 V HA 0.396 4.516 4.120 -0.000 0.000 0.297 169 V C 0.444 176.533 176.094 -0.007 0.000 1.433 169 V CA -0.074 62.221 62.300 -0.008 0.000 1.052 169 V CB 0.063 31.879 31.823 -0.011 0.000 0.895 169 V HN 0.284 nan 8.190 nan 0.000 0.438 170 G N 1.304 110.100 108.800 -0.007 0.000 2.699 170 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.686 170 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.686 170 G C 0.020 174.916 174.900 -0.007 0.000 1.301 170 G CA -0.008 45.089 45.100 -0.005 0.000 0.816 170 G HN 0.280 nan 8.290 nan 0.000 0.595 171 K N 0.052 120.449 120.400 -0.005 0.000 2.209 171 K HA -0.063 4.257 4.320 -0.000 0.000 0.204 171 K C 1.665 178.261 176.600 -0.006 0.000 1.048 171 K CA 1.648 57.931 56.287 -0.005 0.000 0.940 171 K CB 0.024 32.523 32.500 -0.002 0.000 0.729 171 K HN 0.498 nan 8.250 nan 0.000 0.451 172 E N 0.343 120.541 120.200 -0.004 0.000 2.474 172 E HA 0.050 4.400 4.350 -0.000 0.000 0.195 172 E C 1.068 177.664 176.600 -0.006 0.000 1.039 172 E CA 0.040 56.438 56.400 -0.003 0.000 0.881 172 E CB 0.196 29.897 29.700 0.002 0.000 0.970 172 E HN 0.281 nan 8.360 nan 0.000 0.486 173 G N 1.170 109.964 108.800 -0.009 0.000 2.527 173 G HA2 0.200 4.160 3.960 -0.000 0.000 0.279 173 G HA3 0.200 4.160 3.960 -0.000 0.000 0.279 173 G C 0.026 174.915 174.900 -0.018 0.000 1.374 173 G CA -0.258 44.835 45.100 -0.012 0.000 1.053 173 G HN 0.029 nan 8.290 nan 0.000 0.539 174 V N -0.074 119.828 119.914 -0.021 0.000 2.407 174 V HA 0.482 4.602 4.120 -0.000 0.000 0.291 174 V C -0.268 175.805 176.094 -0.035 0.000 1.018 174 V CA -0.506 61.776 62.300 -0.030 0.000 0.842 174 V CB 1.185 32.994 31.823 -0.024 0.000 0.996 174 V HN 0.509 nan 8.190 nan 0.000 0.426 175 I N 3.491 124.032 120.570 -0.049 0.000 2.389 175 I HA 0.555 4.725 4.170 -0.000 0.000 0.288 175 I C 0.100 176.183 176.117 -0.057 0.000 0.999 175 I CA -0.105 61.165 61.300 -0.050 0.000 1.129 175 I CB 2.138 40.106 38.000 -0.054 0.000 1.288 175 I HN 0.550 nan 8.210 nan 0.000 0.444 176 T N 5.341 119.869 114.554 -0.044 0.000 2.888 176 T HA 0.561 4.911 4.350 -0.000 0.000 0.284 176 T C -0.355 174.325 174.700 -0.032 0.000 1.017 176 T CA -0.514 61.562 62.100 -0.040 0.000 1.022 176 T CB 2.304 71.152 68.868 -0.033 0.000 1.013 176 T HN 0.184 nan 8.240 nan 0.000 0.465 177 V N 3.278 123.175 119.914 -0.028 0.000 2.448 177 V HA 0.500 4.620 4.120 -0.000 0.000 0.295 177 V C -0.068 176.018 176.094 -0.013 0.000 1.025 177 V CA -0.697 61.591 62.300 -0.020 0.000 0.859 177 V CB 1.551 33.364 31.823 -0.017 0.000 0.988 177 V HN 0.873 nan 8.190 nan 0.000 0.431 178 E N 1.939 122.132 120.200 -0.012 0.000 2.428 178 E HA 0.455 4.804 4.350 -0.000 0.000 0.259 178 E C -1.412 175.184 176.600 -0.007 0.000 0.930 178 E CA -1.081 55.313 56.400 -0.009 0.000 0.823 178 E CB 1.475 31.169 29.700 -0.011 0.000 1.403 178 E HN 0.564 nan 8.360 nan 0.000 0.415 179 D N 0.506 120.902 120.400 -0.007 0.000 2.341 179 D HA 0.253 4.893 4.640 -0.000 0.000 0.245 179 D C -0.031 176.265 176.300 -0.006 0.000 1.106 179 D CA 0.082 54.079 54.000 -0.005 0.000 0.905 179 D CB 1.289 42.087 40.800 -0.005 0.000 1.202 179 D HN 0.467 nan 8.370 nan 0.000 0.426 180 G N -0.655 108.142 108.800 -0.005 0.000 2.537 180 G HA2 0.310 4.270 3.960 -0.000 0.000 0.273 180 G HA3 0.310 4.270 3.960 -0.000 0.000 0.273 180 G C 0.683 175.580 174.900 -0.006 0.000 1.189 180 G CA -0.491 44.606 45.100 -0.006 0.000 0.881 180 G HN 0.421 nan 8.290 nan 0.000 0.535 181 T N -2.342 112.209 114.554 -0.006 0.000 3.273 181 T HA 0.543 4.893 4.350 -0.000 0.000 0.254 181 T C 0.984 175.682 174.700 -0.005 0.000 1.002 181 T CA 0.517 62.614 62.100 -0.005 0.000 0.913 181 T CB -0.353 68.511 68.868 -0.006 0.000 1.056 181 T HN 1.896 nan 8.240 nan 0.000 0.576 182 G N 0.866 109.664 108.800 -0.004 0.000 2.278 182 G HA2 0.177 4.137 3.960 -0.000 0.000 0.265 182 G HA3 0.177 4.137 3.960 -0.000 0.000 0.265 182 G C -1.473 173.425 174.900 -0.004 0.000 1.329 182 G CA -0.623 44.475 45.100 -0.004 0.000 1.017 182 G HN 0.391 nan 8.290 nan 0.000 0.472 183 L N 0.840 122.061 121.223 -0.003 0.000 2.464 183 L HA 0.627 4.967 4.340 -0.000 0.000 0.264 183 L C 0.364 177.232 176.870 -0.003 0.000 1.199 183 L CA 0.677 55.515 54.840 -0.003 0.000 0.818 183 L CB 0.428 42.485 42.059 -0.003 0.000 1.102 183 L HN 1.027 nan 8.230 nan 0.000 0.473 184 Q N 2.021 121.818 119.800 -0.004 0.000 3.215 184 Q HA -0.094 4.246 4.340 -0.000 0.000 0.034 184 Q C -1.468 174.530 176.000 -0.004 0.000 1.698 184 Q CA 0.303 56.104 55.803 -0.004 0.000 0.248 184 Q CB -0.260 28.476 28.738 -0.004 0.000 0.583 184 Q HN 0.654 nan 8.270 nan 0.000 0.322 185 D N 2.535 122.933 120.400 -0.005 0.000 2.253 185 D HA 0.373 5.013 4.640 -0.000 0.000 0.249 185 D C -0.189 176.108 176.300 -0.006 0.000 1.049 185 D CA -0.187 53.809 54.000 -0.005 0.000 0.929 185 D CB 1.096 41.893 40.800 -0.006 0.000 1.176 185 D HN 0.325 nan 8.370 nan 0.000 0.437 186 E N 0.044 120.240 120.200 -0.007 0.000 2.288 186 E HA 0.606 4.956 4.350 -0.000 0.000 0.268 186 E C -1.152 175.443 176.600 -0.008 0.000 0.885 186 E CA -0.948 55.448 56.400 -0.007 0.000 0.767 186 E CB 2.714 32.410 29.700 -0.007 0.000 1.220 186 E HN 0.129 nan 8.360 nan 0.000 0.427 187 L N 2.311 123.529 121.223 -0.008 0.000 2.513 187 L HA 0.550 4.890 4.340 -0.000 0.000 0.261 187 L C -2.256 174.609 176.870 -0.009 0.000 0.945 187 L CA -0.224 54.610 54.840 -0.009 0.000 0.848 187 L CB 2.061 44.114 42.059 -0.010 0.000 1.334 187 L HN 0.697 nan 8.230 nan 0.000 0.407 188 D N 2.778 123.172 120.400 -0.010 0.000 2.783 188 D HA 0.300 4.940 4.640 -0.000 0.000 0.253 188 D C -1.608 174.687 176.300 -0.009 0.000 1.206 188 D CA -0.413 53.582 54.000 -0.009 0.000 0.740 188 D CB 1.506 42.301 40.800 -0.008 0.000 1.313 188 D HN 0.398 nan 8.370 nan 0.000 0.427 189 V N 0.125 120.034 119.914 -0.008 0.000 2.539 189 V HA 0.637 4.757 4.120 -0.000 0.000 0.292 189 V C 0.521 176.611 176.094 -0.007 0.000 1.045 189 V CA -0.627 61.668 62.300 -0.008 0.000 0.945 189 V CB 1.267 33.086 31.823 -0.007 0.000 0.993 189 V HN 0.622 nan 8.190 nan 0.000 0.464 190 V N 0.725 120.635 119.914 -0.006 0.000 2.962 190 V HA 0.635 4.755 4.120 -0.000 0.000 0.313 190 V C -0.296 175.797 176.094 -0.002 0.000 1.099 190 V CA -1.059 61.239 62.300 -0.005 0.000 0.971 190 V CB 2.083 33.902 31.823 -0.007 0.000 1.028 190 V HN 0.711 nan 8.190 nan 0.000 0.430 191 E N 2.364 122.564 120.200 0.000 0.000 2.406 191 E HA 0.434 4.784 4.350 -0.000 0.000 0.247 191 E C 0.353 176.958 176.600 0.008 0.000 1.160 191 E CA 0.880 57.283 56.400 0.005 0.000 0.950 191 E CB 0.509 30.212 29.700 0.006 0.000 0.993 191 E HN 1.096 nan 8.360 nan 0.000 0.472 192 G N 1.606 110.413 108.800 0.011 0.000 2.827 192 G HA2 0.739 4.699 3.960 -0.000 0.000 0.296 192 G HA3 0.739 4.699 3.960 -0.000 0.000 0.296 192 G C -0.984 173.934 174.900 0.030 0.000 1.362 192 G CA -0.601 44.509 45.100 0.017 0.000 0.809 192 G HN 0.392 nan 8.290 nan 0.000 0.522 193 M N -0.555 119.069 119.600 0.041 0.000 2.732 193 M HA 0.563 5.043 4.480 -0.000 0.000 0.272 193 M C -2.386 173.950 176.300 0.059 0.000 1.203 193 M CA -0.680 54.661 55.300 0.069 0.000 0.841 193 M CB 2.486 35.157 32.600 0.118 0.000 1.685 193 M HN 0.693 nan 8.290 nan 0.000 0.492 194 Q N 3.039 122.885 119.800 0.076 0.000 2.280 194 Q HA 0.533 4.873 4.340 -0.000 0.000 0.259 194 Q C -2.271 173.771 176.000 0.070 0.000 0.964 194 Q CA -0.638 55.150 55.803 -0.026 0.000 0.844 194 Q CB 1.626 30.325 28.738 -0.067 0.000 1.334 194 Q HN 0.589 nan 8.270 nan 0.000 0.423 195 F N 0.141 120.090 119.950 -0.003 0.000 2.575 195 F HA 0.580 5.107 4.527 -0.000 0.000 0.330 195 F C -0.155 175.643 175.800 -0.003 0.000 1.056 195 F CA -1.237 56.763 58.000 -0.001 0.000 0.964 195 F CB 0.913 39.914 39.000 0.002 0.000 1.258 195 F HN 0.295 nan 8.300 nan 0.000 0.484 196 D N 2.573 123.090 120.400 0.195 0.000 2.713 196 D HA 0.168 4.808 4.640 -0.000 0.000 0.229 196 D C -0.225 176.138 176.300 0.105 0.000 1.136 196 D CA 0.167 54.218 54.000 0.086 0.000 1.010 196 D CB 0.003 40.847 40.800 0.073 0.000 1.084 196 D HN 0.251 nan 8.370 nan 0.000 0.495 197 R N 0.247 120.795 120.500 0.080 0.000 2.628 197 R HA 0.564 4.904 4.340 -0.000 0.000 0.288 197 R C 0.335 176.602 176.300 -0.055 0.000 0.980 197 R CA -0.743 55.406 56.100 0.083 0.000 0.891 197 R CB 2.271 32.741 30.300 0.282 0.000 1.188 197 R HN 0.199 nan 8.270 nan 0.000 0.450 198 G N 1.004 109.738 108.800 -0.110 0.000 2.552 198 G HA2 0.433 4.393 3.960 -0.000 0.000 0.318 198 G HA3 0.433 4.393 3.960 -0.000 0.000 0.318 198 G C -0.677 174.103 174.900 -0.199 0.000 1.240 198 G CA -0.562 44.380 45.100 -0.265 0.000 1.002 198 G HN 0.456 nan 8.290 nan 0.000 0.493 199 Y N -1.206 119.098 120.300 0.007 0.000 2.578 199 Y HA 0.285 4.835 4.550 0.000 0.000 0.339 199 Y C 1.162 177.101 175.900 0.065 0.000 1.231 199 Y CA -1.033 57.072 58.100 0.008 0.000 1.461 199 Y CB 0.442 38.941 38.460 0.064 0.000 1.323 199 Y HN 0.167 nan 8.280 nan 0.000 0.590 200 L N 2.136 123.511 121.223 0.254 0.000 2.675 200 L HA 0.119 4.459 4.340 -0.000 0.000 0.239 200 L C 0.438 177.555 176.870 0.412 0.000 1.151 200 L CA 0.719 55.714 54.840 0.258 0.000 0.905 200 L CB -0.568 41.603 42.059 0.186 0.000 1.057 200 L HN 0.852 nan 8.230 nan 0.000 0.435 201 S N -2.032 114.036 115.700 0.613 0.000 2.756 201 S HA 0.230 4.700 4.470 -0.000 0.000 0.295 201 S C -2.646 172.164 174.600 0.350 0.000 0.945 201 S CA -0.930 57.561 58.200 0.485 0.000 0.838 201 S CB 1.063 64.499 63.200 0.393 0.000 1.042 201 S HN -0.205 nan 8.310 nan 0.000 0.467 202 P HA 0.349 nan 4.420 nan 0.000 0.335 202 P C 0.312 177.461 177.300 -0.252 0.000 1.416 202 P CA 0.672 63.512 63.100 -0.433 0.000 0.828 202 P CB -0.018 31.388 31.700 -0.490 0.000 1.966 203 Y N -4.685 115.479 120.300 -0.227 0.000 2.742 203 Y HA -0.335 4.215 4.550 -0.000 0.000 0.485 203 Y C 1.990 177.767 175.900 -0.205 0.000 1.119 203 Y CA 1.691 59.649 58.100 -0.237 0.000 2.917 203 Y CB -3.038 35.222 38.460 -0.333 0.000 0.951 203 Y HN 0.091 nan 8.280 nan 0.000 0.562 204 F N 0.748 120.715 119.950 0.029 0.000 2.184 204 F HA -0.177 4.350 4.527 0.000 0.000 0.301 204 F C 1.560 177.323 175.800 -0.063 0.000 1.076 204 F CA 1.380 59.375 58.000 -0.009 0.000 1.295 204 F CB -0.832 38.163 39.000 -0.009 0.000 1.026 204 F HN 0.014 nan 8.300 nan 0.000 0.494 205 I N 1.921 122.499 120.570 0.013 0.000 3.017 205 I HA -0.224 3.946 4.170 -0.000 0.000 0.310 205 I C 0.610 176.723 176.117 -0.007 0.000 1.220 205 I CA 0.849 62.111 61.300 -0.063 0.000 1.450 205 I CB -0.018 37.873 38.000 -0.183 0.000 1.317 205 I HN 0.264 nan 8.210 nan 0.000 0.570 206 N N 2.656 121.358 118.700 0.003 0.000 2.036 206 N HA 0.074 4.814 4.740 -0.000 0.000 0.228 206 N C -0.255 175.257 175.510 0.003 0.000 1.368 206 N CA -0.328 52.729 53.050 0.011 0.000 0.846 206 N CB 0.522 39.026 38.487 0.028 0.000 1.145 206 N HN 0.392 nan 8.380 nan 0.000 0.502 207 K N 1.322 121.721 120.400 -0.002 0.000 3.163 207 K HA 0.297 4.617 4.320 -0.000 0.000 0.186 207 K C -2.066 174.530 176.600 -0.007 0.000 1.111 207 K CA -1.311 54.976 56.287 0.000 0.000 0.918 207 K CB 1.718 34.223 32.500 0.008 0.000 1.059 207 K HN 0.066 nan 8.250 nan 0.000 0.558 208 P HA -0.183 nan 4.420 nan 0.000 0.225 208 P C 0.422 177.713 177.300 -0.016 0.000 1.141 208 P CA 1.163 64.247 63.100 -0.026 0.000 0.774 208 P CB 0.485 32.166 31.700 -0.031 0.000 0.760 209 E N -0.164 120.032 120.200 -0.007 0.000 2.153 209 E HA -0.098 4.252 4.350 -0.000 0.000 0.194 209 E C 1.803 178.403 176.600 -0.001 0.000 0.988 209 E CA 1.994 58.391 56.400 -0.004 0.000 0.811 209 E CB -0.890 28.810 29.700 0.001 0.000 0.746 209 E HN 0.466 nan 8.360 nan 0.000 0.466 210 T N -5.090 109.468 114.554 0.005 0.000 2.975 210 T HA 0.367 4.717 4.350 -0.000 0.000 0.261 210 T C 1.291 176.003 174.700 0.020 0.000 0.984 210 T CA 0.003 62.112 62.100 0.015 0.000 0.911 210 T CB 0.720 69.608 68.868 0.033 0.000 1.127 210 T HN 0.197 nan 8.240 nan 0.000 0.514 211 G N 1.373 110.178 108.800 0.009 0.000 2.289 211 G HA2 0.238 4.198 3.960 -0.000 0.000 0.280 211 G HA3 0.238 4.198 3.960 -0.000 0.000 0.280 211 G C 0.058 174.988 174.900 0.050 0.000 1.089 211 G CA -0.050 45.056 45.100 0.009 0.000 0.939 211 G HN 1.266 nan 8.290 nan 0.000 0.499 212 A N -1.347 121.494 122.820 0.035 0.000 2.569 212 A HA 0.964 5.284 4.320 -0.000 0.000 0.290 212 A C 0.101 177.707 177.584 0.037 0.000 1.136 212 A CA -0.078 52.004 52.037 0.075 0.000 0.710 212 A CB 1.629 20.680 19.000 0.084 0.000 1.303 212 A HN 1.279 nan 8.150 nan 0.000 0.413 213 V N -0.003 119.949 119.914 0.063 0.000 3.369 213 V HA 0.722 4.842 4.120 -0.000 0.000 0.309 213 V C 0.129 176.242 176.094 0.032 0.000 1.069 213 V CA -0.265 62.063 62.300 0.048 0.000 1.042 213 V CB 1.537 33.396 31.823 0.060 0.000 1.192 213 V HN 0.969 nan 8.190 nan 0.000 0.447 214 E N 0.634 120.849 120.200 0.025 0.000 2.647 214 E HA 0.447 4.797 4.350 -0.000 0.000 0.320 214 E C -2.169 174.437 176.600 0.011 0.000 0.951 214 E CA -0.442 55.965 56.400 0.012 0.000 0.809 214 E CB 1.214 30.920 29.700 0.011 0.000 1.295 214 E HN 0.579 nan 8.360 nan 0.000 0.407 215 L N 2.926 124.149 121.223 0.001 0.000 2.386 215 L HA 0.548 4.888 4.340 -0.000 0.000 0.271 215 L C -0.356 176.503 176.870 -0.018 0.000 0.993 215 L CA -0.933 53.906 54.840 -0.002 0.000 0.819 215 L CB 2.120 44.179 42.059 0.001 0.000 1.294 215 L HN 0.482 nan 8.230 nan 0.000 0.414 216 E N 1.129 121.316 120.200 -0.023 0.000 2.174 216 E HA 0.233 4.583 4.350 -0.000 0.000 0.282 216 E C -0.107 176.452 176.600 -0.068 0.000 0.992 216 E CA -0.371 56.007 56.400 -0.038 0.000 0.803 216 E CB 1.322 31.005 29.700 -0.029 0.000 1.090 216 E HN 0.630 nan 8.360 nan 0.000 0.396 217 S N 2.369 118.018 115.700 -0.085 0.000 3.491 217 S HA -0.137 4.333 4.470 -0.000 0.000 0.371 217 S C -2.010 172.456 174.600 -0.224 0.000 0.980 217 S CA 0.320 58.436 58.200 -0.139 0.000 1.204 217 S CB -1.311 61.807 63.200 -0.136 0.000 0.915 217 S HN 0.515 nan 8.310 nan 0.000 0.482 218 P HA 0.427 nan 4.420 nan 0.000 0.277 218 P C -0.101 177.056 177.300 -0.238 0.000 1.276 218 P CA -0.462 62.542 63.100 -0.160 0.000 0.788 218 P CB 0.481 32.158 31.700 -0.038 0.000 1.114 219 F N -0.754 119.204 119.950 0.013 0.000 2.458 219 F HA 0.469 4.996 4.527 -0.000 0.000 0.330 219 F C 0.607 176.416 175.800 0.015 0.000 1.082 219 F CA -0.618 57.390 58.000 0.014 0.000 0.995 219 F CB 1.013 40.020 39.000 0.013 0.000 1.170 219 F HN 0.023 nan 8.300 nan 0.000 0.478 220 I N 4.608 125.333 120.570 0.258 0.000 2.382 220 I HA 0.274 4.444 4.170 -0.000 0.000 0.286 220 I C -1.223 174.960 176.117 0.110 0.000 1.002 220 I CA -0.954 60.433 61.300 0.146 0.000 1.135 220 I CB 1.714 39.782 38.000 0.113 0.000 1.288 220 I HN 0.239 nan 8.210 nan 0.000 0.448 221 L N 8.303 129.572 121.223 0.076 0.000 2.255 221 L HA 0.461 4.801 4.340 -0.000 0.000 0.289 221 L C -0.851 176.035 176.870 0.027 0.000 1.046 221 L CA -0.034 54.828 54.840 0.038 0.000 0.816 221 L CB 0.616 42.690 42.059 0.024 0.000 1.197 221 L HN 0.474 nan 8.230 nan 0.000 0.427 222 L N 6.416 127.648 121.223 0.016 0.000 2.283 222 L HA 0.710 5.050 4.340 -0.000 0.000 0.281 222 L C -0.125 176.741 176.870 -0.006 0.000 1.033 222 L CA -0.428 54.413 54.840 0.001 0.000 0.848 222 L CB 1.006 43.063 42.059 -0.004 0.000 1.226 222 L HN 0.795 nan 8.230 nan 0.000 0.429 223 A N 1.938 124.754 122.820 -0.006 0.000 2.335 223 A HA 0.404 4.724 4.320 -0.000 0.000 0.304 223 A C -0.815 176.764 177.584 -0.008 0.000 1.118 223 A CA -0.587 51.446 52.037 -0.006 0.000 0.757 223 A CB 1.214 20.214 19.000 -0.001 0.000 1.188 223 A HN 0.646 nan 8.150 nan 0.000 0.460 224 D N 2.762 123.155 120.400 -0.011 0.000 2.453 224 D HA 0.462 5.102 4.640 -0.000 0.000 0.223 224 D C -0.074 176.224 176.300 -0.002 0.000 1.183 224 D CA 0.393 54.387 54.000 -0.011 0.000 0.933 224 D CB -0.414 40.376 40.800 -0.016 0.000 1.038 224 D HN 0.633 nan 8.370 nan 0.000 0.513 225 K N 0.639 121.041 120.400 0.004 0.000 3.076 225 K HA 0.197 4.517 4.320 -0.000 0.000 0.314 225 K C -1.239 175.370 176.600 0.015 0.000 1.113 225 K CA -1.160 55.133 56.287 0.009 0.000 0.860 225 K CB 0.362 32.866 32.500 0.007 0.000 1.435 225 K HN -0.045 nan 8.250 nan 0.000 0.374 226 K N 0.827 121.238 120.400 0.018 0.000 2.118 226 K HA 0.522 4.842 4.320 -0.000 0.000 0.264 226 K C -0.522 176.091 176.600 0.023 0.000 1.000 226 K CA -0.582 55.719 56.287 0.023 0.000 0.929 226 K CB 0.750 33.265 32.500 0.025 0.000 1.021 226 K HN 0.415 nan 8.250 nan 0.000 0.463 227 I N 1.408 121.994 120.570 0.028 0.000 2.497 227 I HA 0.072 4.242 4.170 -0.000 0.000 0.284 227 I C -0.124 176.013 176.117 0.034 0.000 1.060 227 I CA -0.114 61.203 61.300 0.028 0.000 1.071 227 I CB 2.053 40.070 38.000 0.029 0.000 1.216 227 I HN 0.588 nan 8.210 nan 0.000 0.442 228 S N 3.283 119.000 115.700 0.029 0.000 2.687 228 S HA 0.269 4.739 4.470 -0.000 0.000 0.247 228 S C 0.267 174.882 174.600 0.025 0.000 1.050 228 S CA -0.286 57.931 58.200 0.030 0.000 1.063 228 S CB 0.250 63.465 63.200 0.026 0.000 1.039 228 S HN 0.557 nan 8.310 nan 0.000 0.580 229 N N 1.719 120.432 118.700 0.022 0.000 2.524 229 N HA 0.357 5.097 4.740 -0.000 0.000 0.261 229 N C 0.308 175.828 175.510 0.017 0.000 0.998 229 N CA -0.197 52.863 53.050 0.017 0.000 0.915 229 N CB 1.729 40.223 38.487 0.013 0.000 1.187 229 N HN 0.125 nan 8.380 nan 0.000 0.507 230 I N 2.088 122.669 120.570 0.018 0.000 2.530 230 I HA -0.232 3.938 4.170 -0.000 0.000 0.257 230 I C 2.270 178.394 176.117 0.012 0.000 1.179 230 I CA 1.179 62.490 61.300 0.018 0.000 1.440 230 I CB 0.188 38.199 38.000 0.018 0.000 1.087 230 I HN 0.447 nan 8.210 nan 0.000 0.440 231 R N 1.113 121.618 120.500 0.009 0.000 2.303 231 R HA -0.189 4.151 4.340 -0.000 0.000 0.225 231 R C 1.347 177.650 176.300 0.004 0.000 1.114 231 R CA 1.581 57.684 56.100 0.005 0.000 1.007 231 R CB -0.104 30.199 30.300 0.004 0.000 0.861 231 R HN 0.567 nan 8.270 nan 0.000 0.471 232 E N -0.999 119.205 120.200 0.005 0.000 2.476 232 E HA 0.016 4.366 4.350 -0.000 0.000 0.199 232 E C 1.331 177.931 176.600 0.001 0.000 1.021 232 E CA -0.038 56.363 56.400 0.003 0.000 0.907 232 E CB 0.417 30.120 29.700 0.005 0.000 0.974 232 E HN 0.276 nan 8.360 nan 0.000 0.489 233 M N 0.113 119.716 119.600 0.004 0.000 2.552 233 M HA 0.090 4.570 4.480 -0.000 0.000 0.264 233 M C 2.154 178.453 176.300 -0.002 0.000 1.159 233 M CA 0.683 55.985 55.300 0.003 0.000 1.176 233 M CB -0.588 32.020 32.600 0.014 0.000 1.327 233 M HN 0.127 nan 8.290 nan 0.000 0.481 234 L N 1.103 122.326 121.223 0.000 0.000 2.040 234 L HA -0.277 4.063 4.340 -0.000 0.000 0.228 234 L C -0.169 176.695 176.870 -0.009 0.000 1.092 234 L CA 2.139 56.977 54.840 -0.002 0.000 0.805 234 L CB -2.813 39.245 42.059 -0.002 0.000 0.905 234 L HN 0.188 nan 8.230 nan 0.000 0.443 235 P HA -0.148 nan 4.420 nan 0.000 0.214 235 P C 1.248 178.530 177.300 -0.030 0.000 1.163 235 P CA 1.776 64.865 63.100 -0.019 0.000 0.889 235 P CB -0.041 31.648 31.700 -0.019 0.000 0.790 236 V N -0.111 119.782 119.914 -0.035 0.000 3.110 236 V HA 0.176 4.296 4.120 -0.000 0.000 0.368 236 V C 1.839 177.903 176.094 -0.051 0.000 1.332 236 V CA 0.244 62.510 62.300 -0.057 0.000 1.287 236 V CB -0.312 31.473 31.823 -0.064 0.000 1.277 236 V HN 0.054 nan 8.190 nan 0.000 0.502 237 L N -1.124 120.082 121.223 -0.028 0.000 2.713 237 L HA 0.317 4.657 4.340 -0.000 0.000 0.223 237 L C 2.124 178.992 176.870 -0.003 0.000 1.040 237 L CA 0.657 55.491 54.840 -0.010 0.000 0.894 237 L CB 0.699 42.762 42.059 0.007 0.000 1.361 237 L HN 0.196 nan 8.230 nan 0.000 0.490 238 E N 0.556 120.753 120.200 -0.006 0.000 2.285 238 E HA -0.049 4.301 4.350 -0.000 0.000 0.194 238 E C 1.791 178.388 176.600 -0.006 0.000 0.997 238 E CA 0.794 57.194 56.400 -0.000 0.000 0.845 238 E CB 0.074 29.773 29.700 -0.001 0.000 0.782 238 E HN 0.544 nan 8.360 nan 0.000 0.491 239 A N 0.744 123.549 122.820 -0.024 0.000 2.239 239 A HA -0.012 4.308 4.320 -0.000 0.000 0.209 239 A C 1.971 179.528 177.584 -0.045 0.000 1.171 239 A CA 0.572 52.586 52.037 -0.039 0.000 0.768 239 A CB 0.143 19.105 19.000 -0.064 0.000 0.790 239 A HN 0.091 nan 8.150 nan 0.000 0.478 240 V N -1.587 118.312 119.914 -0.025 0.000 3.661 240 V HA 0.107 4.227 4.120 -0.000 0.000 0.271 240 V C 2.477 178.611 176.094 0.068 0.000 1.315 240 V CA 0.841 63.151 62.300 0.016 0.000 1.072 240 V CB 0.030 31.861 31.823 0.013 0.000 0.830 240 V HN 0.505 nan 8.190 nan 0.000 0.443 241 A N -0.041 122.804 122.820 0.042 0.000 2.014 241 A HA -0.019 4.301 4.320 -0.000 0.000 0.218 241 A C 1.350 178.963 177.584 0.048 0.000 1.163 241 A CA 0.902 52.965 52.037 0.044 0.000 0.652 241 A CB -0.133 18.884 19.000 0.028 0.000 0.808 241 A HN 0.487 nan 8.150 nan 0.000 0.449 242 K N -1.841 118.586 120.400 0.044 0.000 2.168 242 K HA 0.444 4.764 4.320 -0.000 0.000 0.258 242 K C 0.976 177.625 176.600 0.082 0.000 1.010 242 K CA 0.333 56.648 56.287 0.047 0.000 0.929 242 K CB 0.575 33.094 32.500 0.031 0.000 0.998 242 K HN 0.597 nan 8.250 nan 0.000 0.479 243 A N 1.338 124.206 122.820 0.079 0.000 4.159 243 A HA -0.249 4.071 4.320 -0.000 0.000 0.263 243 A C 1.434 179.073 177.584 0.092 0.000 0.889 243 A CA 1.851 53.951 52.037 0.105 0.000 1.227 243 A CB -2.423 16.693 19.000 0.194 0.000 1.051 243 A HN 1.378 nan 8.150 nan 0.000 0.820 244 G N -1.178 107.674 108.800 0.086 0.000 2.216 244 G HA2 -0.403 3.557 3.960 -0.000 0.000 0.269 244 G HA3 -0.403 3.557 3.960 -0.000 0.000 0.269 244 G C 0.170 175.114 174.900 0.074 0.000 0.981 244 G CA 1.514 46.655 45.100 0.068 0.000 0.658 244 G HN 1.254 nan 8.290 nan 0.000 0.539 245 K N 2.164 122.628 120.400 0.108 0.000 2.382 245 K HA 0.227 4.547 4.320 -0.000 0.000 0.286 245 K C -1.774 174.904 176.600 0.130 0.000 1.062 245 K CA -0.959 55.362 56.287 0.057 0.000 1.000 245 K CB 0.686 33.147 32.500 -0.065 0.000 0.954 245 K HN 0.262 nan 8.250 nan 0.000 0.470 246 P HA -0.092 nan 4.420 nan 0.000 0.269 246 P C -0.775 176.607 177.300 0.136 0.000 1.211 246 P CA -0.243 62.909 63.100 0.087 0.000 0.781 246 P CB 0.566 32.293 31.700 0.046 0.000 0.877 247 L N 2.305 123.608 121.223 0.133 0.000 2.386 247 L HA 0.560 4.900 4.340 -0.000 0.000 0.271 247 L C -1.342 175.579 176.870 0.085 0.000 0.993 247 L CA -1.010 53.921 54.840 0.152 0.000 0.819 247 L CB 1.574 43.719 42.059 0.144 0.000 1.294 247 L HN 0.178 nan 8.230 nan 0.000 0.414 248 L N 5.970 127.244 121.223 0.085 0.000 2.305 248 L HA 0.624 4.964 4.340 -0.000 0.000 0.284 248 L C -1.154 175.744 176.870 0.048 0.000 1.013 248 L CA -0.208 54.657 54.840 0.041 0.000 0.819 248 L CB 1.163 43.252 42.059 0.050 0.000 1.227 248 L HN 0.438 nan 8.230 nan 0.000 0.417 249 I N 6.801 127.383 120.570 0.019 0.000 2.321 249 I HA 0.347 4.517 4.170 -0.000 0.000 0.291 249 I C -0.190 175.944 176.117 0.029 0.000 0.998 249 I CA -0.309 61.007 61.300 0.025 0.000 1.227 249 I CB 1.261 39.273 38.000 0.019 0.000 1.368 249 I HN 0.552 nan 8.210 nan 0.000 0.466 250 I N 5.667 126.258 120.570 0.035 0.000 2.390 250 I HA 0.603 4.773 4.170 -0.000 0.000 0.283 250 I C 0.049 176.171 176.117 0.009 0.000 1.016 250 I CA -0.207 61.113 61.300 0.032 0.000 1.151 250 I CB 1.622 39.640 38.000 0.029 0.000 1.293 250 I HN 0.720 nan 8.210 nan 0.000 0.458 251 A N 4.521 127.348 122.820 0.013 0.000 2.532 251 A HA 0.407 4.727 4.320 -0.000 0.000 0.290 251 A C 0.730 178.321 177.584 0.012 0.000 1.143 251 A CA -0.563 51.479 52.037 0.008 0.000 0.728 251 A CB 1.464 20.473 19.000 0.016 0.000 1.317 251 A HN 0.739 nan 8.150 nan 0.000 0.414 252 E N -0.515 119.692 120.200 0.012 0.000 2.219 252 E HA -0.154 4.196 4.350 -0.000 0.000 0.198 252 E C -0.291 176.328 176.600 0.032 0.000 0.998 252 E CA 1.764 58.176 56.400 0.021 0.000 0.818 252 E CB 0.108 29.822 29.700 0.024 0.000 0.741 252 E HN 0.608 nan 8.360 nan 0.000 0.477 253 D N -2.277 118.142 120.400 0.033 0.000 3.020 253 D HA 0.064 4.704 4.640 -0.000 0.000 0.268 253 D C -1.997 174.330 176.300 0.044 0.000 1.078 253 D CA -0.418 53.607 54.000 0.041 0.000 0.725 253 D CB 1.175 41.999 40.800 0.041 0.000 1.639 253 D HN -0.122 nan 8.370 nan 0.000 0.455 254 V N 2.412 122.360 119.914 0.057 0.000 2.487 254 V HA 0.602 4.722 4.120 -0.000 0.000 0.298 254 V C -0.259 175.877 176.094 0.069 0.000 1.028 254 V CA -0.512 61.826 62.300 0.064 0.000 0.860 254 V CB 1.688 33.559 31.823 0.080 0.000 0.991 254 V HN 0.448 nan 8.190 nan 0.000 0.427 255 E N 2.334 122.569 120.200 0.058 0.000 2.312 255 E HA 0.635 4.985 4.350 -0.000 0.000 0.267 255 E C 0.872 177.500 176.600 0.047 0.000 0.894 255 E CA -0.158 56.273 56.400 0.053 0.000 0.773 255 E CB 2.248 31.973 29.700 0.041 0.000 1.241 255 E HN 0.813 nan 8.360 nan 0.000 0.432 256 G N 2.414 111.241 108.800 0.044 0.000 2.684 256 G HA2 -0.493 3.467 3.960 -0.000 0.000 0.358 256 G HA3 -0.493 3.467 3.960 -0.000 0.000 0.358 256 G C 1.216 176.133 174.900 0.029 0.000 1.164 256 G CA 1.089 46.209 45.100 0.034 0.000 0.935 256 G HN 0.702 nan 8.290 nan 0.000 0.574 257 E N 1.383 121.596 120.200 0.022 0.000 2.048 257 E HA -0.224 4.126 4.350 -0.000 0.000 0.202 257 E C 2.983 179.598 176.600 0.024 0.000 1.021 257 E CA 2.680 59.090 56.400 0.017 0.000 0.825 257 E CB -0.741 28.968 29.700 0.014 0.000 0.756 257 E HN 0.833 nan 8.360 nan 0.000 0.454 258 A N 1.328 124.168 122.820 0.033 0.000 1.845 258 A HA -0.195 4.125 4.320 -0.000 0.000 0.215 258 A C 2.322 179.944 177.584 0.064 0.000 1.195 258 A CA 1.777 53.841 52.037 0.044 0.000 0.616 258 A CB -1.003 18.025 19.000 0.047 0.000 0.832 258 A HN 0.368 nan 8.150 nan 0.000 0.443 259 L N -0.079 121.191 121.223 0.078 0.000 1.971 259 L HA -0.161 4.179 4.340 -0.000 0.000 0.215 259 L C 2.693 179.610 176.870 0.077 0.000 1.072 259 L CA 2.702 57.612 54.840 0.116 0.000 0.758 259 L CB -1.048 41.082 42.059 0.119 0.000 0.889 259 L HN 0.389 nan 8.230 nan 0.000 0.433 260 A N -1.477 121.364 122.820 0.034 0.000 1.873 260 A HA -0.274 4.046 4.320 -0.000 0.000 0.218 260 A C 2.277 179.839 177.584 -0.036 0.000 1.193 260 A CA 2.729 54.756 52.037 -0.017 0.000 0.629 260 A CB -1.492 17.497 19.000 -0.018 0.000 0.826 260 A HN 0.574 nan 8.150 nan 0.000 0.447 261 T N 0.444 114.993 114.554 -0.009 0.000 2.760 261 T HA -0.164 4.186 4.350 -0.000 0.000 0.269 261 T C 1.712 176.408 174.700 -0.007 0.000 1.047 261 T CA 1.674 63.768 62.100 -0.010 0.000 1.139 261 T CB -0.405 68.468 68.868 0.008 0.000 0.855 261 T HN 0.400 nan 8.240 nan 0.000 0.471 262 L N 0.299 121.539 121.223 0.028 0.000 2.102 262 L HA 0.022 4.362 4.340 -0.000 0.000 0.202 262 L C 2.609 179.449 176.870 -0.050 0.000 1.076 262 L CA 0.594 55.475 54.840 0.068 0.000 0.761 262 L CB -0.632 41.554 42.059 0.212 0.000 0.921 262 L HN 0.109 nan 8.230 nan 0.000 0.444 263 V N -0.392 119.422 119.914 -0.166 0.000 2.688 263 V HA -0.234 3.886 4.120 -0.000 0.000 0.256 263 V C 2.378 178.263 176.094 -0.349 0.000 1.084 263 V CA 1.176 63.218 62.300 -0.431 0.000 1.103 263 V CB -0.470 31.124 31.823 -0.382 0.000 0.688 263 V HN 0.186 nan 8.190 nan 0.000 0.480 264 V N 0.620 120.405 119.914 -0.215 0.000 2.231 264 V HA -0.247 3.873 4.120 -0.000 0.000 0.240 264 V C 2.129 178.145 176.094 -0.130 0.000 1.039 264 V CA 2.461 64.654 62.300 -0.178 0.000 0.998 264 V CB -0.855 30.899 31.823 -0.115 0.000 0.639 264 V HN 0.599 nan 8.190 nan 0.000 0.451 265 N N 0.412 119.067 118.700 -0.075 0.000 2.247 265 N HA -0.233 4.507 4.740 -0.000 0.000 0.189 265 N C 1.742 177.234 175.510 -0.030 0.000 1.009 265 N CA 1.805 54.833 53.050 -0.036 0.000 0.872 265 N CB -0.246 38.241 38.487 0.000 0.000 0.980 265 N HN 0.735 nan 8.380 nan 0.000 0.436 266 T N -1.200 113.323 114.554 -0.052 0.000 2.881 266 T HA -0.073 4.277 4.350 -0.000 0.000 0.270 266 T C 1.720 176.399 174.700 -0.035 0.000 1.068 266 T CA 0.940 63.026 62.100 -0.024 0.000 1.131 266 T CB -0.063 68.773 68.868 -0.052 0.000 0.871 266 T HN 0.058 nan 8.240 nan 0.000 0.479 267 M N 0.387 119.943 119.600 -0.074 0.000 2.394 267 M HA 0.326 4.806 4.480 -0.000 0.000 0.266 267 M C 2.059 178.334 176.300 -0.041 0.000 1.098 267 M CA 0.799 56.065 55.300 -0.056 0.000 1.149 267 M CB -0.075 32.473 32.600 -0.087 0.000 1.369 267 M HN 0.026 nan 8.290 nan 0.000 0.450 268 R N 0.105 120.578 120.500 -0.045 0.000 2.404 268 R HA 0.221 4.561 4.340 -0.000 0.000 0.236 268 R C 1.225 177.516 176.300 -0.015 0.000 1.044 268 R CA 0.492 56.573 56.100 -0.031 0.000 1.133 268 R CB -0.613 29.665 30.300 -0.036 0.000 1.142 268 R HN 0.568 nan 8.270 nan 0.000 0.512 269 G N 1.755 110.550 108.800 -0.008 0.000 2.335 269 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.264 269 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.264 269 G C 0.545 175.452 174.900 0.012 0.000 0.990 269 G CA 0.576 45.679 45.100 0.005 0.000 0.647 269 G HN 0.437 nan 8.290 nan 0.000 0.561 270 I N 1.565 122.139 120.570 0.007 0.000 2.624 270 I HA 0.288 4.458 4.170 -0.000 0.000 0.307 270 I C 0.580 176.713 176.117 0.026 0.000 1.191 270 I CA 0.147 61.455 61.300 0.013 0.000 1.708 270 I CB -0.535 37.468 38.000 0.006 0.000 1.521 270 I HN 0.135 nan 8.210 nan 0.000 0.805 271 V N 4.465 124.401 119.914 0.035 0.000 3.379 271 V HA -0.206 3.914 4.120 -0.000 0.000 0.484 271 V C 0.131 176.267 176.094 0.069 0.000 0.682 271 V CA -0.196 62.135 62.300 0.053 0.000 2.029 271 V CB -0.766 31.090 31.823 0.055 0.000 2.475 271 V HN 0.941 nan 8.190 nan 0.000 0.502 272 K N 4.048 124.495 120.400 0.078 0.000 2.300 272 K HA 0.739 5.059 4.320 -0.000 0.000 0.264 272 K C -0.561 176.112 176.600 0.121 0.000 1.083 272 K CA -0.623 55.725 56.287 0.102 0.000 0.958 272 K CB 1.952 34.500 32.500 0.080 0.000 1.318 272 K HN 1.052 nan 8.250 nan 0.000 0.448 273 V N -0.902 119.112 119.914 0.167 0.000 2.823 273 V HA 0.931 5.051 4.120 -0.000 0.000 0.312 273 V C -0.692 175.480 176.094 0.130 0.000 1.072 273 V CA -0.972 61.410 62.300 0.135 0.000 0.937 273 V CB 1.533 33.429 31.823 0.122 0.000 1.013 273 V HN 0.806 nan 8.190 nan 0.000 0.430 274 A N 2.524 125.277 122.820 -0.112 0.000 2.435 274 A HA 1.066 5.386 4.320 -0.000 0.000 0.304 274 A C -0.258 177.075 177.584 -0.418 0.000 1.064 274 A CA -0.242 51.423 52.037 -0.620 0.000 0.727 274 A CB 1.819 20.550 19.000 -0.448 0.000 1.284 274 A HN 2.409 nan 8.150 nan 0.000 0.415 275 A N 0.673 123.167 122.820 -0.543 0.000 2.475 275 A HA 0.866 5.186 4.320 -0.000 0.000 0.301 275 A C -0.496 177.010 177.584 -0.131 0.000 1.059 275 A CA -0.064 51.853 52.037 -0.199 0.000 0.710 275 A CB 1.419 20.370 19.000 -0.082 0.000 1.288 275 A HN 2.301 nan 8.150 nan 0.000 0.408 276 V N -1.372 118.534 119.914 -0.013 0.000 3.130 276 V HA 0.630 4.750 4.120 -0.000 0.000 0.310 276 V C -0.411 175.731 176.094 0.080 0.000 1.158 276 V CA -1.282 61.046 62.300 0.046 0.000 1.029 276 V CB 1.542 33.412 31.823 0.079 0.000 1.057 276 V HN 0.870 nan 8.190 nan 0.000 0.436 277 K N 1.539 121.990 120.400 0.085 0.000 2.382 277 K HA 0.601 4.921 4.320 -0.000 0.000 0.275 277 K C 0.550 177.192 176.600 0.069 0.000 1.009 277 K CA 0.383 56.712 56.287 0.070 0.000 0.970 277 K CB 1.251 33.789 32.500 0.064 0.000 0.934 277 K HN 1.116 nan 8.250 nan 0.000 0.479 278 A N 4.888 127.712 122.820 0.007 0.000 2.492 278 A HA 0.164 4.484 4.320 -0.000 0.000 0.236 278 A C -2.067 175.466 177.584 -0.084 0.000 1.078 278 A CA -0.809 51.175 52.037 -0.089 0.000 0.773 278 A CB -0.371 18.581 19.000 -0.080 0.000 1.023 278 A HN 0.499 nan 8.150 nan 0.000 0.504 279 P HA 0.426 nan 4.420 nan 0.000 0.278 279 P C 0.692 177.983 177.300 -0.014 0.000 1.238 279 P CA 1.234 64.273 63.100 -0.101 0.000 0.794 279 P CB 0.888 32.432 31.700 -0.260 0.000 0.955 280 G N 2.177 111.023 108.800 0.077 0.000 2.601 280 G HA2 -0.120 3.840 3.960 -0.000 0.000 0.261 280 G HA3 -0.120 3.840 3.960 -0.000 0.000 0.261 280 G C -0.700 174.360 174.900 0.266 0.000 1.289 280 G CA 0.404 45.605 45.100 0.168 0.000 0.920 280 G HN 0.794 nan 8.290 nan 0.000 0.571 281 F N -2.697 117.253 119.950 0.000 0.000 2.741 281 F HA 0.770 5.297 4.527 0.000 0.000 0.313 281 F C 0.827 176.630 175.800 0.005 0.000 1.153 281 F CA 0.448 58.450 58.000 0.002 0.000 0.931 281 F CB 0.888 39.896 39.000 0.012 0.000 1.335 281 F HN 2.551 nan 8.300 nan 0.000 0.460 282 G N 1.419 110.112 108.800 -0.180 0.000 2.539 282 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.256 282 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.256 282 G C 0.057 174.842 174.900 -0.191 0.000 1.233 282 G CA 0.411 45.332 45.100 -0.298 0.000 0.936 282 G HN 0.908 nan 8.290 nan 0.000 0.571 283 D N 0.357 120.641 120.400 -0.193 0.000 2.183 283 D HA -0.011 4.629 4.640 -0.000 0.000 0.203 283 D C 2.574 178.797 176.300 -0.129 0.000 0.969 283 D CA 1.046 54.972 54.000 -0.124 0.000 0.842 283 D CB -0.135 40.606 40.800 -0.098 0.000 0.957 283 D HN 0.479 nan 8.370 nan 0.000 0.484 284 R N 0.692 121.085 120.500 -0.177 0.000 2.081 284 R HA -0.056 4.284 4.340 -0.000 0.000 0.235 284 R C 2.382 178.612 176.300 -0.116 0.000 1.131 284 R CA 0.700 56.713 56.100 -0.145 0.000 0.960 284 R CB -0.159 30.040 30.300 -0.168 0.000 0.856 284 R HN 0.102 nan 8.270 nan 0.000 0.436 285 R N 1.726 122.157 120.500 -0.115 0.000 2.091 285 R HA -0.173 4.167 4.340 -0.000 0.000 0.238 285 R C 1.756 178.009 176.300 -0.079 0.000 1.136 285 R CA 1.758 57.813 56.100 -0.076 0.000 0.959 285 R CB -0.028 30.255 30.300 -0.028 0.000 0.856 285 R HN 0.142 nan 8.270 nan 0.000 0.437 286 K N -0.234 120.123 120.400 -0.071 0.000 2.097 286 K HA -0.109 4.211 4.320 -0.000 0.000 0.206 286 K C 2.078 178.640 176.600 -0.064 0.000 1.049 286 K CA 1.530 57.782 56.287 -0.060 0.000 0.933 286 K CB -0.122 32.347 32.500 -0.051 0.000 0.717 286 K HN 0.238 nan 8.250 nan 0.000 0.442 287 A N 1.069 123.846 122.820 -0.071 0.000 1.897 287 A HA -0.096 4.224 4.320 -0.000 0.000 0.215 287 A C 2.105 179.646 177.584 -0.072 0.000 1.181 287 A CA 1.188 53.186 52.037 -0.066 0.000 0.620 287 A CB -0.373 18.587 19.000 -0.066 0.000 0.821 287 A HN 0.148 nan 8.150 nan 0.000 0.443 288 M N -0.616 118.931 119.600 -0.089 0.000 2.159 288 M HA -0.086 4.394 4.480 -0.000 0.000 0.263 288 M C 2.134 178.358 176.300 -0.128 0.000 1.063 288 M CA 1.163 56.398 55.300 -0.108 0.000 1.110 288 M CB -0.502 32.019 32.600 -0.132 0.000 1.374 288 M HN 0.386 nan 8.290 nan 0.000 0.411 289 L N 0.062 121.211 121.223 -0.123 0.000 2.042 289 L HA -0.280 4.060 4.340 -0.000 0.000 0.210 289 L C 2.705 179.527 176.870 -0.080 0.000 1.076 289 L CA 1.472 56.241 54.840 -0.117 0.000 0.749 289 L CB -0.412 41.595 42.059 -0.087 0.000 0.893 289 L HN 0.335 nan 8.230 nan 0.000 0.432 290 Q N 0.400 120.162 119.800 -0.062 0.000 2.020 290 Q HA -0.232 4.108 4.340 -0.000 0.000 0.202 290 Q C 1.611 177.588 176.000 -0.038 0.000 0.982 290 Q CA 2.173 57.950 55.803 -0.043 0.000 0.838 290 Q CB -0.235 28.480 28.738 -0.038 0.000 0.899 290 Q HN 0.401 nan 8.270 nan 0.000 0.423 291 D N -0.074 120.299 120.400 -0.045 0.000 2.126 291 D HA -0.213 4.427 4.640 -0.000 0.000 0.190 291 D C 1.835 178.121 176.300 -0.023 0.000 1.001 291 D CA 1.873 55.853 54.000 -0.033 0.000 0.841 291 D CB -0.333 40.443 40.800 -0.039 0.000 0.949 291 D HN 0.349 nan 8.370 nan 0.000 0.446 292 I N 0.778 121.323 120.570 -0.041 0.000 2.118 292 I HA -0.346 3.824 4.170 -0.000 0.000 0.241 292 I C 2.475 178.594 176.117 0.003 0.000 1.070 292 I CA 1.311 62.602 61.300 -0.016 0.000 1.327 292 I CB -0.491 37.475 38.000 -0.056 0.000 1.034 292 I HN -0.005 nan 8.210 nan 0.000 0.405 293 A N 0.589 123.404 122.820 -0.009 0.000 1.873 293 A HA -0.269 4.051 4.320 -0.000 0.000 0.218 293 A C 2.396 179.985 177.584 0.009 0.000 1.193 293 A CA 2.860 54.900 52.037 0.004 0.000 0.629 293 A CB -1.301 17.695 19.000 -0.005 0.000 0.826 293 A HN 0.423 nan 8.150 nan 0.000 0.447 294 T N 0.438 114.993 114.554 0.002 0.000 2.607 294 T HA -0.172 4.178 4.350 -0.000 0.000 0.267 294 T C 1.851 176.558 174.700 0.011 0.000 1.049 294 T CA 1.443 63.546 62.100 0.004 0.000 1.162 294 T CB -0.444 68.423 68.868 -0.002 0.000 0.863 294 T HN 0.343 nan 8.240 nan 0.000 0.424 295 L N 1.858 123.089 121.223 0.013 0.000 2.129 295 L HA -0.099 4.241 4.340 -0.000 0.000 0.212 295 L C 2.014 178.900 176.870 0.025 0.000 1.087 295 L CA 2.403 57.255 54.840 0.019 0.000 0.757 295 L CB -1.357 40.718 42.059 0.026 0.000 0.896 295 L HN 0.505 nan 8.230 nan 0.000 0.434 296 T N -3.153 111.420 114.554 0.031 0.000 3.129 296 T HA 0.428 4.778 4.350 -0.000 0.000 0.267 296 T C 0.879 175.603 174.700 0.041 0.000 1.018 296 T CA 0.171 62.294 62.100 0.038 0.000 0.903 296 T CB -0.228 68.671 68.868 0.052 0.000 1.067 296 T HN 0.630 nan 8.240 nan 0.000 0.549 297 G N -0.035 108.785 108.800 0.033 0.000 2.978 297 G HA2 0.388 4.348 3.960 -0.000 0.000 0.686 297 G HA3 0.388 4.348 3.960 -0.000 0.000 0.686 297 G C 0.221 175.148 174.900 0.045 0.000 1.288 297 G CA -0.456 44.665 45.100 0.035 0.000 1.026 297 G HN 1.953 nan 8.290 nan 0.000 0.587 298 G N 0.034 108.854 108.800 0.034 0.000 2.462 298 G HA2 0.590 4.550 3.960 -0.000 0.000 0.685 298 G HA3 0.590 4.550 3.960 -0.000 0.000 0.685 298 G C -0.088 174.823 174.900 0.017 0.000 1.295 298 G CA 0.381 45.500 45.100 0.033 0.000 0.941 298 G HN 2.843 nan 8.290 nan 0.000 0.554 299 T N -2.683 111.877 114.554 0.009 0.000 2.907 299 T HA 0.865 5.215 4.350 -0.000 0.000 0.290 299 T C 0.334 175.032 174.700 -0.003 0.000 1.066 299 T CA -0.196 61.904 62.100 0.001 0.000 1.012 299 T CB 1.501 70.367 68.868 -0.003 0.000 1.184 299 T HN 2.066 nan 8.240 nan 0.000 0.522 300 V N -0.710 119.198 119.914 -0.009 0.000 2.686 300 V HA 0.628 4.748 4.120 -0.000 0.000 0.295 300 V C -0.211 175.876 176.094 -0.012 0.000 1.057 300 V CA -0.931 61.361 62.300 -0.013 0.000 1.012 300 V CB 0.387 32.199 31.823 -0.019 0.000 1.006 300 V HN 0.871 nan 8.190 nan 0.000 0.477 301 I N 4.397 124.960 120.570 -0.012 0.000 2.412 301 I HA 0.342 4.512 4.170 -0.000 0.000 0.279 301 I C 0.278 176.389 176.117 -0.010 0.000 1.063 301 I CA -0.051 61.243 61.300 -0.011 0.000 1.193 301 I CB 1.140 39.134 38.000 -0.011 0.000 1.370 301 I HN 0.858 nan 8.210 nan 0.000 0.479 302 S N 2.607 118.300 115.700 -0.011 0.000 2.451 302 S HA 0.360 4.830 4.470 -0.000 0.000 0.301 302 S C 0.731 175.327 174.600 -0.007 0.000 1.116 302 S CA -0.773 57.421 58.200 -0.010 0.000 1.093 302 S CB 1.815 65.007 63.200 -0.013 0.000 1.017 302 S HN 0.581 nan 8.310 nan 0.000 0.482 303 E N 2.197 122.394 120.200 -0.005 0.000 2.171 303 E HA -0.227 4.123 4.350 -0.000 0.000 0.197 303 E C 1.365 177.962 176.600 -0.004 0.000 0.997 303 E CA 1.594 57.992 56.400 -0.003 0.000 0.810 303 E CB -0.248 29.452 29.700 -0.001 0.000 0.738 303 E HN 0.845 nan 8.360 nan 0.000 0.467 304 E N 0.160 120.357 120.200 -0.005 0.000 2.301 304 E HA -0.197 4.153 4.350 -0.000 0.000 0.202 304 E C 0.756 177.353 176.600 -0.006 0.000 1.017 304 E CA 0.794 57.191 56.400 -0.006 0.000 0.831 304 E CB -0.117 29.578 29.700 -0.008 0.000 0.742 304 E HN 0.404 nan 8.360 nan 0.000 0.491 305 I N -0.558 120.008 120.570 -0.007 0.000 2.979 305 I HA 0.207 4.377 4.170 -0.000 0.000 0.337 305 I C 0.758 176.872 176.117 -0.006 0.000 1.453 305 I CA -0.300 60.997 61.300 -0.006 0.000 0.891 305 I CB 0.890 38.886 38.000 -0.008 0.000 1.887 305 I HN 0.050 nan 8.210 nan 0.000 0.546 306 G N 1.971 110.768 108.800 -0.005 0.000 2.200 306 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.268 306 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.268 306 G C 0.426 175.322 174.900 -0.005 0.000 0.986 306 G CA 0.413 45.511 45.100 -0.005 0.000 0.677 306 G HN 0.462 nan 8.290 nan 0.000 0.532 307 M N 0.456 120.052 119.600 -0.006 0.000 2.217 307 M HA 0.397 4.877 4.480 -0.000 0.000 0.354 307 M C 0.411 176.707 176.300 -0.007 0.000 1.225 307 M CA 0.540 55.836 55.300 -0.007 0.000 1.137 307 M CB 0.738 33.332 32.600 -0.009 0.000 1.576 307 M HN 0.225 nan 8.290 nan 0.000 0.461 308 E N 2.280 122.476 120.200 -0.008 0.000 2.256 308 E HA 0.299 4.649 4.350 -0.000 0.000 0.267 308 E C -0.077 176.517 176.600 -0.010 0.000 0.892 308 E CA -0.643 55.752 56.400 -0.007 0.000 0.775 308 E CB 2.038 31.735 29.700 -0.006 0.000 1.207 308 E HN 0.662 nan 8.360 nan 0.000 0.420 309 L N 1.868 123.086 121.223 -0.008 0.000 2.784 309 L HA -0.125 4.215 4.340 -0.000 0.000 0.247 309 L C 1.029 177.890 176.870 -0.015 0.000 1.162 309 L CA 0.713 55.546 54.840 -0.011 0.000 0.881 309 L CB -0.351 41.704 42.059 -0.007 0.000 1.032 309 L HN 0.487 nan 8.230 nan 0.000 0.446 310 E N -0.109 120.083 120.200 -0.013 0.000 2.256 310 E HA 0.009 4.359 4.350 -0.000 0.000 0.198 310 E C 1.023 177.613 176.600 -0.017 0.000 0.908 310 E CA 0.542 56.933 56.400 -0.014 0.000 0.915 310 E CB 0.215 29.908 29.700 -0.010 0.000 0.890 310 E HN 0.188 nan 8.360 nan 0.000 0.484 311 K N 0.927 121.318 120.400 -0.015 0.000 3.025 311 K HA 0.342 4.662 4.320 -0.000 0.000 0.260 311 K C -0.436 176.152 176.600 -0.020 0.000 1.023 311 K CA -0.011 56.267 56.287 -0.016 0.000 1.194 311 K CB 0.323 32.816 32.500 -0.012 0.000 1.094 311 K HN -0.048 nan 8.250 nan 0.000 0.460 312 A N 1.344 124.148 122.820 -0.026 0.000 2.285 312 A HA 0.285 4.605 4.320 -0.000 0.000 0.310 312 A C 0.560 178.116 177.584 -0.046 0.000 1.266 312 A CA -0.774 51.243 52.037 -0.034 0.000 0.832 312 A CB 0.425 19.404 19.000 -0.035 0.000 1.163 312 A HN 0.310 nan 8.150 nan 0.000 0.499 313 T N 0.434 114.960 114.554 -0.046 0.000 3.332 313 T HA 0.340 4.690 4.350 -0.000 0.000 0.367 313 T C 1.171 175.817 174.700 -0.090 0.000 1.244 313 T CA 0.218 62.284 62.100 -0.056 0.000 0.977 313 T CB -0.082 68.762 68.868 -0.040 0.000 1.784 313 T HN 0.306 nan 8.240 nan 0.000 0.553 314 L N -0.292 120.872 121.223 -0.098 0.000 2.408 314 L HA 0.284 4.624 4.340 -0.000 0.000 0.215 314 L C 2.756 179.555 176.870 -0.119 0.000 1.081 314 L CA 0.600 55.341 54.840 -0.165 0.000 0.840 314 L CB -0.326 41.641 42.059 -0.154 0.000 1.002 314 L HN 0.634 nan 8.230 nan 0.000 0.468 315 E N 0.397 120.567 120.200 -0.049 0.000 2.299 315 E HA -0.160 4.190 4.350 -0.000 0.000 0.193 315 E C 1.499 178.094 176.600 -0.008 0.000 0.998 315 E CA 0.789 57.185 56.400 -0.007 0.000 0.851 315 E CB 0.060 29.763 29.700 0.005 0.000 0.795 315 E HN 0.274 nan 8.360 nan 0.000 0.492 316 D N -0.019 120.364 120.400 -0.028 0.000 2.218 316 D HA -0.109 4.531 4.640 -0.000 0.000 0.204 316 D C 0.441 176.732 176.300 -0.016 0.000 0.976 316 D CA 0.343 54.331 54.000 -0.021 0.000 0.853 316 D CB -0.058 40.724 40.800 -0.029 0.000 0.939 316 D HN 0.194 nan 8.370 nan 0.000 0.481 317 L N 0.591 121.791 121.223 -0.039 0.000 2.452 317 L HA 0.350 4.690 4.340 -0.000 0.000 0.267 317 L C 0.984 177.901 176.870 0.078 0.000 1.188 317 L CA 0.051 54.879 54.840 -0.021 0.000 0.821 317 L CB 1.085 43.048 42.059 -0.159 0.000 1.102 317 L HN -0.101 nan 8.230 nan 0.000 0.470 318 G N 1.984 110.855 108.800 0.117 0.000 2.528 318 G HA2 0.506 4.466 3.960 -0.000 0.000 0.289 318 G HA3 0.506 4.466 3.960 -0.000 0.000 0.289 318 G C -1.307 173.736 174.900 0.239 0.000 1.192 318 G CA -0.270 44.915 45.100 0.141 0.000 0.921 318 G HN 0.709 nan 8.290 nan 0.000 0.512 319 Q N -0.952 118.935 119.800 0.145 0.000 2.378 319 Q HA 0.551 4.891 4.340 -0.000 0.000 0.262 319 Q C -1.316 174.688 176.000 0.005 0.000 0.978 319 Q CA -0.740 55.106 55.803 0.071 0.000 0.918 319 Q CB 1.859 30.630 28.738 0.055 0.000 1.415 319 Q HN 0.967 nan 8.270 nan 0.000 0.409 320 A N 2.673 125.473 122.820 -0.033 0.000 2.532 320 A HA 0.490 4.810 4.320 -0.000 0.000 0.290 320 A C -0.479 177.070 177.584 -0.059 0.000 1.143 320 A CA -0.619 51.402 52.037 -0.028 0.000 0.728 320 A CB 1.788 20.788 19.000 -0.000 0.000 1.317 320 A HN 0.805 nan 8.150 nan 0.000 0.414 321 K N -0.679 119.694 120.400 -0.044 0.000 2.459 321 K HA 0.131 4.451 4.320 -0.000 0.000 0.193 321 K C 0.357 176.929 176.600 -0.046 0.000 1.030 321 K CA 0.780 57.036 56.287 -0.051 0.000 1.026 321 K CB 0.032 32.510 32.500 -0.038 0.000 0.809 321 K HN 0.566 nan 8.250 nan 0.000 0.504 322 R N -0.348 120.130 120.500 -0.036 0.000 3.964 322 R HA 0.067 4.407 4.340 -0.000 0.000 0.244 322 R C -1.881 174.404 176.300 -0.024 0.000 1.004 322 R CA -0.533 55.548 56.100 -0.031 0.000 1.148 322 R CB 0.877 31.160 30.300 -0.027 0.000 1.234 322 R HN -0.024 nan 8.270 nan 0.000 0.567 323 V N 0.387 120.288 119.914 -0.022 0.000 3.001 323 V HA 0.945 5.065 4.120 -0.000 0.000 0.314 323 V C -1.256 174.821 176.094 -0.028 0.000 1.099 323 V CA -0.631 61.654 62.300 -0.026 0.000 0.989 323 V CB 2.386 34.198 31.823 -0.018 0.000 1.040 323 V HN 0.434 nan 8.190 nan 0.000 0.434 324 V N 3.823 123.710 119.914 -0.045 0.000 2.577 324 V HA 0.492 4.612 4.120 -0.000 0.000 0.294 324 V C -0.970 175.097 176.094 -0.046 0.000 1.052 324 V CA -0.073 62.208 62.300 -0.032 0.000 0.891 324 V CB 1.339 33.145 31.823 -0.029 0.000 1.017 324 V HN 0.827 nan 8.190 nan 0.000 0.436 325 I N 5.561 126.130 120.570 -0.002 0.000 2.359 325 I HA 0.520 4.690 4.170 -0.000 0.000 0.294 325 I C 0.449 176.642 176.117 0.126 0.000 0.987 325 I CA 0.184 61.500 61.300 0.027 0.000 1.225 325 I CB 1.404 39.449 38.000 0.075 0.000 1.366 325 I HN 0.551 nan 8.210 nan 0.000 0.466 326 N N 4.516 123.253 118.700 0.063 0.000 2.776 326 N HA 0.285 5.025 4.740 -0.000 0.000 0.319 326 N C 0.859 176.318 175.510 -0.085 0.000 1.316 326 N CA -0.726 52.382 53.050 0.096 0.000 0.890 326 N CB 0.588 39.087 38.487 0.019 0.000 1.165 326 N HN 0.450 nan 8.380 nan 0.000 0.596 327 K N 0.022 120.337 120.400 -0.141 0.000 2.211 327 K HA -0.129 4.191 4.320 -0.000 0.000 0.203 327 K C -0.573 175.737 176.600 -0.485 0.000 1.050 327 K CA 1.723 57.681 56.287 -0.549 0.000 0.945 327 K CB 0.012 32.425 32.500 -0.145 0.000 0.732 327 K HN 0.589 nan 8.250 nan 0.000 0.451 328 D N -1.321 118.928 120.400 -0.251 0.000 2.783 328 D HA 0.097 4.737 4.640 -0.000 0.000 0.306 328 D C -1.040 175.192 176.300 -0.113 0.000 1.633 328 D CA -0.455 53.446 54.000 -0.166 0.000 0.796 328 D CB 0.867 41.606 40.800 -0.101 0.000 1.230 328 D HN -0.155 nan 8.370 nan 0.000 0.441 329 T N 0.005 114.478 114.554 -0.135 0.000 3.172 329 T HA 0.510 4.860 4.350 -0.000 0.000 0.320 329 T C -0.941 173.623 174.700 -0.227 0.000 1.085 329 T CA -0.456 61.553 62.100 -0.150 0.000 1.052 329 T CB 2.023 70.833 68.868 -0.097 0.000 1.107 329 T HN -0.105 nan 8.240 nan 0.000 0.458 330 T N 2.549 116.837 114.554 -0.443 0.000 2.797 330 T HA 0.710 5.060 4.350 -0.000 0.000 0.279 330 T C -0.168 174.133 174.700 -0.666 0.000 0.991 330 T CA -0.609 61.131 62.100 -0.600 0.000 0.979 330 T CB 1.494 69.775 68.868 -0.977 0.000 0.943 330 T HN 0.664 nan 8.240 nan 0.000 0.444 331 T N 3.082 117.417 114.554 -0.365 0.000 2.949 331 T HA 0.573 4.923 4.350 -0.000 0.000 0.300 331 T C -0.690 173.935 174.700 -0.125 0.000 0.988 331 T CA -0.724 61.235 62.100 -0.235 0.000 0.993 331 T CB 0.118 68.899 68.868 -0.146 0.000 0.984 331 T HN 0.487 nan 8.240 nan 0.000 0.442 332 I N 5.958 126.493 120.570 -0.060 0.000 2.325 332 I HA 0.407 4.577 4.170 -0.000 0.000 0.291 332 I C -0.049 176.066 176.117 -0.002 0.000 1.019 332 I CA -0.769 60.531 61.300 -0.000 0.000 1.302 332 I CB 1.058 39.099 38.000 0.067 0.000 1.401 332 I HN 0.573 nan 8.210 nan 0.000 0.485 333 I N 6.011 126.574 120.570 -0.011 0.000 2.339 333 I HA 0.281 4.451 4.170 -0.000 0.000 0.290 333 I C -0.568 175.544 176.117 -0.010 0.000 0.994 333 I CA -0.492 60.800 61.300 -0.012 0.000 1.191 333 I CB 1.135 39.123 38.000 -0.020 0.000 1.343 333 I HN 0.573 nan 8.210 nan 0.000 0.458 334 D N 4.900 125.296 120.400 -0.006 0.000 4.847 334 D HA -0.102 4.538 4.640 -0.000 0.000 0.237 334 D C -0.265 176.033 176.300 -0.003 0.000 1.164 334 D CA 0.834 54.830 54.000 -0.006 0.000 1.196 334 D CB 0.092 40.884 40.800 -0.013 0.000 0.717 334 D HN 0.856 nan 8.370 nan 0.000 0.348 335 G N 1.753 110.555 108.800 0.004 0.000 2.371 335 G HA2 0.489 4.449 3.960 -0.000 0.000 0.326 335 G HA3 0.489 4.449 3.960 -0.000 0.000 0.326 335 G C 1.309 176.213 174.900 0.006 0.000 1.127 335 G CA -0.450 44.656 45.100 0.009 0.000 0.885 335 G HN 0.352 nan 8.290 nan 0.000 0.477 336 V N 2.460 122.378 119.914 0.007 0.000 2.720 336 V HA -0.031 4.089 4.120 -0.000 0.000 0.256 336 V C 2.258 178.360 176.094 0.013 0.000 1.082 336 V CA 1.233 63.538 62.300 0.008 0.000 1.101 336 V CB -1.169 30.663 31.823 0.014 0.000 0.693 336 V HN 0.852 nan 8.190 nan 0.000 0.479 337 G N 1.177 109.987 108.800 0.016 0.000 2.341 337 G HA2 -0.059 3.901 3.960 -0.000 0.000 0.231 337 G HA3 -0.059 3.901 3.960 -0.000 0.000 0.231 337 G C -0.027 174.880 174.900 0.010 0.000 1.206 337 G CA -0.221 44.888 45.100 0.015 0.000 0.865 337 G HN 0.348 nan 8.290 nan 0.000 0.515 338 E N 1.982 122.187 120.200 0.010 0.000 2.328 338 E HA -0.011 4.339 4.350 -0.000 0.000 0.265 338 E C 1.506 178.109 176.600 0.005 0.000 1.057 338 E CA -0.081 56.323 56.400 0.007 0.000 0.916 338 E CB 0.665 30.368 29.700 0.006 0.000 0.993 338 E HN 0.688 nan 8.360 nan 0.000 0.446 339 E N 1.956 122.158 120.200 0.004 0.000 2.501 339 E HA -0.175 4.175 4.350 -0.000 0.000 0.203 339 E C 0.989 177.590 176.600 0.002 0.000 1.072 339 E CA 0.787 57.189 56.400 0.002 0.000 0.885 339 E CB -0.016 29.685 29.700 0.001 0.000 0.813 339 E HN 0.429 nan 8.360 nan 0.000 0.556 340 A N 0.886 123.708 122.820 0.002 0.000 2.055 340 A HA 0.463 4.783 4.320 -0.000 0.000 0.205 340 A C 2.290 179.874 177.584 0.001 0.000 1.235 340 A CA 0.613 52.650 52.037 0.001 0.000 0.822 340 A CB 0.062 19.063 19.000 0.001 0.000 0.903 340 A HN 0.259 nan 8.150 nan 0.000 0.473 341 A N 0.258 123.079 122.820 0.002 0.000 1.930 341 A HA 0.075 4.395 4.320 -0.000 0.000 0.215 341 A C 1.987 179.571 177.584 -0.000 0.000 1.176 341 A CA 1.247 53.284 52.037 0.001 0.000 0.632 341 A CB -0.549 18.453 19.000 0.003 0.000 0.819 341 A HN 0.420 nan 8.150 nan 0.000 0.445 342 I N -0.595 119.976 120.570 0.001 0.000 2.286 342 I HA -0.259 3.911 4.170 -0.000 0.000 0.248 342 I C 2.668 178.784 176.117 -0.001 0.000 1.115 342 I CA 1.648 62.949 61.300 0.001 0.000 1.392 342 I CB -0.169 37.833 38.000 0.003 0.000 1.065 342 I HN 0.354 nan 8.210 nan 0.000 0.418 343 Q N 1.144 120.944 119.800 -0.001 0.000 2.291 343 Q HA -0.103 4.237 4.340 -0.000 0.000 0.205 343 Q C 1.950 177.948 176.000 -0.004 0.000 0.970 343 Q CA 1.704 57.505 55.803 -0.002 0.000 0.876 343 Q CB -0.442 28.295 28.738 -0.002 0.000 0.935 343 Q HN 0.473 nan 8.270 nan 0.000 0.455 344 G N -0.541 108.257 108.800 -0.004 0.000 2.494 344 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.216 344 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.216 344 G C 1.536 176.432 174.900 -0.007 0.000 1.140 344 G CA 0.478 45.575 45.100 -0.005 0.000 0.801 344 G HN 0.300 nan 8.290 nan 0.000 0.536 345 R N 0.540 121.036 120.500 -0.007 0.000 2.073 345 R HA 0.036 4.376 4.340 -0.000 0.000 0.229 345 R C 2.344 178.637 176.300 -0.011 0.000 1.120 345 R CA 1.281 57.375 56.100 -0.010 0.000 0.967 345 R CB -0.804 29.490 30.300 -0.010 0.000 0.862 345 R HN 0.150 nan 8.270 nan 0.000 0.436 346 V N 1.196 121.105 119.914 -0.009 0.000 2.759 346 V HA -0.121 3.999 4.120 -0.000 0.000 0.256 346 V C 2.278 178.366 176.094 -0.011 0.000 1.080 346 V CA 1.487 63.781 62.300 -0.010 0.000 1.101 346 V CB -0.857 30.962 31.823 -0.008 0.000 0.698 346 V HN 0.507 nan 8.190 nan 0.000 0.477 347 A N -0.239 122.576 122.820 -0.009 0.000 1.858 347 A HA -0.265 4.055 4.320 -0.000 0.000 0.216 347 A C 2.218 179.796 177.584 -0.011 0.000 1.190 347 A CA 1.869 53.901 52.037 -0.009 0.000 0.617 347 A CB -0.459 18.536 19.000 -0.007 0.000 0.827 347 A HN 0.568 nan 8.150 nan 0.000 0.443 348 Q N -0.441 119.351 119.800 -0.012 0.000 2.002 348 Q HA -0.167 4.173 4.340 -0.000 0.000 0.204 348 Q C 2.082 178.072 176.000 -0.017 0.000 0.988 348 Q CA 1.766 57.560 55.803 -0.014 0.000 0.843 348 Q CB -0.444 28.285 28.738 -0.016 0.000 0.908 348 Q HN 0.725 nan 8.270 nan 0.000 0.420 349 I N 0.351 120.909 120.570 -0.019 0.000 2.399 349 I HA -0.310 3.860 4.170 -0.000 0.000 0.254 349 I C 2.282 178.386 176.117 -0.022 0.000 1.146 349 I CA 1.255 62.541 61.300 -0.023 0.000 1.412 349 I CB -0.255 37.730 38.000 -0.025 0.000 1.076 349 I HN 0.174 nan 8.210 nan 0.000 0.432 350 R N -0.175 120.315 120.500 -0.017 0.000 2.173 350 R HA 0.003 4.343 4.340 -0.000 0.000 0.208 350 R C 1.907 178.199 176.300 -0.014 0.000 1.035 350 R CA 0.395 56.486 56.100 -0.015 0.000 1.004 350 R CB 0.086 30.379 30.300 -0.012 0.000 0.917 350 R HN 0.290 nan 8.270 nan 0.000 0.462 351 Q N 0.183 119.975 119.800 -0.013 0.000 2.444 351 Q HA -0.009 4.331 4.340 -0.000 0.000 0.206 351 Q C 0.950 176.942 176.000 -0.013 0.000 0.948 351 Q CA 0.769 56.565 55.803 -0.012 0.000 0.946 351 Q CB 0.869 29.601 28.738 -0.010 0.000 1.027 351 Q HN 0.432 nan 8.270 nan 0.000 0.513 352 Q N -0.730 119.060 119.800 -0.017 0.000 2.352 352 Q HA 0.184 4.524 4.340 -0.000 0.000 0.212 352 Q C 1.486 177.474 176.000 -0.020 0.000 0.888 352 Q CA 0.057 55.849 55.803 -0.019 0.000 0.934 352 Q CB 0.699 29.422 28.738 -0.024 0.000 1.093 352 Q HN 0.331 nan 8.270 nan 0.000 0.523 353 I N 0.266 120.825 120.570 -0.019 0.000 3.228 353 I HA -0.056 4.114 4.170 -0.000 0.000 0.279 353 I C 1.282 177.392 176.117 -0.012 0.000 1.221 353 I CA 0.382 61.671 61.300 -0.018 0.000 1.458 353 I CB 0.260 38.248 38.000 -0.019 0.000 1.105 353 I HN -0.009 nan 8.210 nan 0.000 0.445 354 E N 1.630 121.823 120.200 -0.011 0.000 2.494 354 E HA -0.021 4.329 4.350 -0.000 0.000 0.193 354 E C 0.343 176.940 176.600 -0.006 0.000 1.074 354 E CA 0.508 56.904 56.400 -0.007 0.000 0.867 354 E CB 0.038 29.734 29.700 -0.007 0.000 0.924 354 E HN 0.577 nan 8.360 nan 0.000 0.502 355 E N -0.266 119.929 120.200 -0.008 0.000 3.029 355 E HA 0.229 4.579 4.350 -0.000 0.000 0.196 355 E C -0.427 176.170 176.600 -0.005 0.000 0.973 355 E CA -0.199 56.197 56.400 -0.006 0.000 1.242 355 E CB 1.185 30.880 29.700 -0.008 0.000 1.056 355 E HN -0.005 nan 8.360 nan 0.000 0.469 356 A N 1.824 124.641 122.820 -0.005 0.000 2.906 356 A HA 0.086 4.406 4.320 -0.000 0.000 0.289 356 A C 1.244 178.831 177.584 0.005 0.000 1.675 356 A CA -0.222 51.813 52.037 -0.003 0.000 1.372 356 A CB -0.881 18.115 19.000 -0.007 0.000 1.091 356 A HN 0.199 nan 8.150 nan 0.000 0.579 357 T N -1.201 113.358 114.554 0.008 0.000 3.584 357 T HA 0.292 4.642 4.350 -0.000 0.000 0.252 357 T C 0.518 175.231 174.700 0.022 0.000 1.103 357 T CA 0.583 62.690 62.100 0.012 0.000 0.977 357 T CB -0.665 68.209 68.868 0.010 0.000 1.044 357 T HN 0.653 nan 8.240 nan 0.000 0.589 358 S N -1.230 114.486 115.700 0.027 0.000 2.703 358 S HA 0.334 4.804 4.470 -0.000 0.000 0.273 358 S C -0.476 174.152 174.600 0.048 0.000 1.178 358 S CA -0.457 57.771 58.200 0.046 0.000 0.838 358 S CB 1.511 64.754 63.200 0.072 0.000 1.178 358 S HN 0.209 nan 8.310 nan 0.000 0.494 359 D N -0.597 119.847 120.400 0.074 0.000 2.725 359 D HA -0.004 4.636 4.640 -0.000 0.000 0.269 359 D C 1.592 177.952 176.300 0.100 0.000 1.018 359 D CA 0.497 54.539 54.000 0.070 0.000 0.956 359 D CB -0.287 40.554 40.800 0.069 0.000 1.141 359 D HN 0.514 nan 8.370 nan 0.000 0.478 360 Y N 2.425 122.727 120.300 0.003 0.000 2.053 360 Y HA -0.262 4.288 4.550 -0.000 0.000 0.277 360 Y C 1.597 177.497 175.900 0.000 0.000 1.159 360 Y CA 2.679 60.782 58.100 0.005 0.000 1.125 360 Y CB -0.704 37.760 38.460 0.007 0.000 0.969 360 Y HN -0.047 nan 8.280 nan 0.000 0.492 361 D N -0.556 119.851 120.400 0.012 0.000 2.203 361 D HA -0.211 4.429 4.640 -0.000 0.000 0.199 361 D C 2.264 178.495 176.300 -0.115 0.000 0.997 361 D CA 1.685 55.627 54.000 -0.098 0.000 0.863 361 D CB -0.237 40.565 40.800 0.004 0.000 0.928 361 D HN 0.375 nan 8.370 nan 0.000 0.458 362 R N 0.585 121.046 120.500 -0.065 0.000 2.057 362 R HA -0.079 4.261 4.340 -0.000 0.000 0.229 362 R C 1.923 178.176 176.300 -0.079 0.000 1.136 362 R CA 1.107 57.174 56.100 -0.054 0.000 0.952 362 R CB 0.051 30.339 30.300 -0.021 0.000 0.848 362 R HN 0.157 nan 8.270 nan 0.000 0.430 363 E N 0.374 120.522 120.200 -0.086 0.000 2.049 363 E HA -0.214 4.136 4.350 -0.000 0.000 0.198 363 E C 1.949 178.471 176.600 -0.131 0.000 1.007 363 E CA 1.263 57.611 56.400 -0.087 0.000 0.809 363 E CB 0.038 29.700 29.700 -0.062 0.000 0.749 363 E HN 0.135 nan 8.360 nan 0.000 0.450 364 K N 0.468 120.723 120.400 -0.241 0.000 2.211 364 K HA -0.135 4.185 4.320 -0.000 0.000 0.204 364 K C 2.089 178.600 176.600 -0.149 0.000 1.047 364 K CA 0.846 56.989 56.287 -0.241 0.000 0.935 364 K CB -0.177 32.077 32.500 -0.410 0.000 0.728 364 K HN 0.243 nan 8.250 nan 0.000 0.452 365 L N 0.255 121.402 121.223 -0.126 0.000 2.102 365 L HA -0.077 4.263 4.340 -0.000 0.000 0.202 365 L C 2.117 178.951 176.870 -0.059 0.000 1.076 365 L CA 0.782 55.572 54.840 -0.084 0.000 0.761 365 L CB -0.257 41.759 42.059 -0.071 0.000 0.921 365 L HN 0.147 nan 8.230 nan 0.000 0.444 366 Q N -0.223 119.545 119.800 -0.053 0.000 2.515 366 Q HA -0.175 4.165 4.340 -0.000 0.000 0.212 366 Q C 1.480 177.462 176.000 -0.031 0.000 0.970 366 Q CA 0.487 56.269 55.803 -0.035 0.000 0.941 366 Q CB 0.227 28.948 28.738 -0.028 0.000 0.998 366 Q HN 0.476 nan 8.270 nan 0.000 0.518 367 E N 0.485 120.660 120.200 -0.041 0.000 2.307 367 E HA -0.026 4.324 4.350 -0.000 0.000 0.195 367 E C 1.717 178.303 176.600 -0.023 0.000 0.975 367 E CA -0.036 56.346 56.400 -0.031 0.000 0.878 367 E CB 0.411 30.085 29.700 -0.043 0.000 0.845 367 E HN 0.179 nan 8.360 nan 0.000 0.488 368 R N 0.343 120.824 120.500 -0.032 0.000 2.080 368 R HA -0.054 4.286 4.340 -0.000 0.000 0.222 368 R C 2.559 178.849 176.300 -0.015 0.000 1.107 368 R CA 1.188 57.273 56.100 -0.025 0.000 0.980 368 R CB -0.045 30.233 30.300 -0.038 0.000 0.879 368 R HN 0.170 nan 8.270 nan 0.000 0.439 369 V N -1.439 118.464 119.914 -0.018 0.000 2.407 369 V HA -0.143 3.977 4.120 -0.000 0.000 0.248 369 V C 2.320 178.410 176.094 -0.006 0.000 1.055 369 V CA 1.736 64.029 62.300 -0.012 0.000 1.049 369 V CB -1.157 30.657 31.823 -0.014 0.000 0.662 369 V HN 0.225 nan 8.190 nan 0.000 0.455 370 A N 0.939 123.756 122.820 -0.006 0.000 1.869 370 A HA -0.287 4.033 4.320 -0.000 0.000 0.218 370 A C 2.349 179.937 177.584 0.006 0.000 1.203 370 A CA 2.759 54.795 52.037 -0.001 0.000 0.638 370 A CB -0.746 18.253 19.000 -0.002 0.000 0.831 370 A HN 0.632 nan 8.150 nan 0.000 0.450 371 K N -1.260 119.147 120.400 0.011 0.000 2.002 371 K HA -0.096 4.224 4.320 -0.000 0.000 0.209 371 K C 1.880 178.494 176.600 0.023 0.000 1.048 371 K CA 1.452 57.754 56.287 0.025 0.000 0.930 371 K CB -0.371 32.154 32.500 0.041 0.000 0.714 371 K HN 0.362 nan 8.250 nan 0.000 0.438 372 L N 0.097 121.330 121.223 0.016 0.000 2.362 372 L HA -0.026 4.314 4.340 -0.000 0.000 0.219 372 L C 1.610 178.484 176.870 0.008 0.000 1.134 372 L CA 1.349 56.196 54.840 0.012 0.000 0.807 372 L CB -0.099 41.963 42.059 0.004 0.000 0.927 372 L HN 0.121 nan 8.230 nan 0.000 0.447 373 A N -2.047 120.776 122.820 0.005 0.000 2.287 373 A HA 0.403 4.723 4.320 -0.000 0.000 0.214 373 A C 2.091 179.676 177.584 0.002 0.000 1.228 373 A CA 0.406 52.444 52.037 0.002 0.000 0.939 373 A CB -0.573 18.427 19.000 -0.001 0.000 0.992 373 A HN 0.365 nan 8.150 nan 0.000 0.502 374 G N 0.022 108.824 108.800 0.004 0.000 2.403 374 G HA2 0.370 4.330 3.960 -0.000 0.000 0.216 374 G HA3 0.370 4.330 3.960 -0.000 0.000 0.216 374 G C 1.168 176.069 174.900 0.002 0.000 1.154 374 G CA 0.763 45.865 45.100 0.002 0.000 0.784 374 G HN 1.694 nan 8.290 nan 0.000 0.538 375 G N -1.701 107.102 108.800 0.005 0.000 2.741 375 G HA2 0.031 3.991 3.960 -0.000 0.000 0.222 375 G HA3 0.031 3.991 3.960 -0.000 0.000 0.222 375 G C -0.646 174.254 174.900 -0.001 0.000 1.364 375 G CA -0.310 44.792 45.100 0.003 0.000 0.866 375 G HN 1.056 nan 8.290 nan 0.000 0.555 376 V N 0.197 120.108 119.914 -0.004 0.000 2.588 376 V HA 0.759 4.879 4.120 -0.000 0.000 0.304 376 V C 0.795 176.881 176.094 -0.013 0.000 1.042 376 V CA -0.158 62.136 62.300 -0.010 0.000 0.877 376 V CB 1.347 33.162 31.823 -0.013 0.000 0.996 376 V HN 2.141 nan 8.190 nan 0.000 0.425 377 A N 4.031 126.841 122.820 -0.017 0.000 2.363 377 A HA 0.712 5.032 4.320 -0.000 0.000 0.270 377 A C -0.392 177.180 177.584 -0.020 0.000 1.121 377 A CA -0.275 51.752 52.037 -0.017 0.000 0.800 377 A CB 0.638 19.626 19.000 -0.019 0.000 1.052 377 A HN 0.867 nan 8.150 nan 0.000 0.493 378 V N 4.977 124.881 119.914 -0.018 0.000 2.380 378 V HA 0.257 4.377 4.120 -0.000 0.000 0.286 378 V C -0.203 175.881 176.094 -0.017 0.000 1.015 378 V CA -0.130 62.159 62.300 -0.018 0.000 0.834 378 V CB 0.808 32.621 31.823 -0.016 0.000 1.009 378 V HN 0.750 nan 8.190 nan 0.000 0.428 379 I N 4.490 125.049 120.570 -0.018 0.000 2.395 379 I HA 0.355 4.525 4.170 -0.000 0.000 0.289 379 I C 0.350 176.459 176.117 -0.013 0.000 1.023 379 I CA -0.202 61.089 61.300 -0.016 0.000 1.350 379 I CB 0.946 38.935 38.000 -0.017 0.000 1.409 379 I HN 0.477 nan 8.210 nan 0.000 0.507 380 K N 5.998 126.392 120.400 -0.011 0.000 2.464 380 K HA 0.398 4.718 4.320 -0.000 0.000 0.252 380 K C -0.891 175.705 176.600 -0.008 0.000 1.000 380 K CA -0.630 55.651 56.287 -0.009 0.000 0.951 380 K CB 1.832 34.327 32.500 -0.009 0.000 1.183 380 K HN 0.326 nan 8.250 nan 0.000 0.445 381 V N 2.231 122.141 119.914 -0.007 0.000 2.673 381 V HA 0.145 4.265 4.120 -0.000 0.000 0.303 381 V C 0.894 176.985 176.094 -0.005 0.000 1.046 381 V CA 0.117 62.414 62.300 -0.005 0.000 1.126 381 V CB 1.021 32.842 31.823 -0.004 0.000 0.934 381 V HN 0.894 nan 8.190 nan 0.000 0.487 382 G N 2.575 111.373 108.800 -0.004 0.000 2.481 382 G HA2 0.869 4.829 3.960 -0.000 0.000 0.315 382 G HA3 0.869 4.829 3.960 -0.000 0.000 0.315 382 G C -0.783 174.115 174.900 -0.003 0.000 1.231 382 G CA -0.008 45.089 45.100 -0.004 0.000 0.968 382 G HN 1.195 nan 8.290 nan 0.000 0.482 383 A N -0.581 122.238 122.820 -0.003 0.000 2.557 383 A HA 0.837 5.157 4.320 -0.000 0.000 0.292 383 A C 0.942 178.525 177.584 -0.003 0.000 1.139 383 A CA 0.471 52.507 52.037 -0.003 0.000 0.665 383 A CB 0.485 19.483 19.000 -0.002 0.000 1.285 383 A HN 1.879 nan 8.150 nan 0.000 0.433 384 A N -0.410 122.408 122.820 -0.002 0.000 1.873 384 A HA 0.372 4.692 4.320 -0.000 0.000 0.215 384 A C 1.368 178.951 177.584 -0.002 0.000 1.186 384 A CA 2.516 54.551 52.037 -0.002 0.000 0.616 384 A CB -0.794 18.205 19.000 -0.002 0.000 0.823 384 A HN 2.130 nan 8.150 nan 0.000 0.442 385 T N -4.303 110.250 114.554 -0.002 0.000 2.924 385 T HA 0.461 4.811 4.350 -0.000 0.000 0.291 385 T C 0.526 175.225 174.700 -0.002 0.000 1.045 385 T CA 0.092 62.191 62.100 -0.002 0.000 1.015 385 T CB 1.915 70.782 68.868 -0.002 0.000 1.103 385 T HN 0.320 nan 8.240 nan 0.000 0.496 386 E N 0.330 120.529 120.200 -0.002 0.000 2.130 386 E HA -0.156 4.194 4.350 -0.000 0.000 0.196 386 E C 1.696 178.295 176.600 -0.001 0.000 0.998 386 E CA 1.440 57.839 56.400 -0.002 0.000 0.806 386 E CB -0.167 29.532 29.700 -0.002 0.000 0.738 386 E HN 0.562 nan 8.360 nan 0.000 0.459 387 V N 1.360 121.274 119.914 -0.001 0.000 2.229 387 V HA -0.257 3.863 4.120 -0.000 0.000 0.243 387 V C 2.171 178.264 176.094 -0.001 0.000 1.042 387 V CA 2.238 64.538 62.300 -0.001 0.000 1.000 387 V CB -0.725 31.098 31.823 -0.001 0.000 0.637 387 V HN 0.294 nan 8.190 nan 0.000 0.446 388 E N -0.132 120.067 120.200 -0.001 0.000 2.086 388 E HA -0.320 4.030 4.350 -0.000 0.000 0.200 388 E C 2.191 178.790 176.600 -0.001 0.000 1.012 388 E CA 1.862 58.261 56.400 -0.001 0.000 0.812 388 E CB -0.329 29.370 29.700 -0.002 0.000 0.743 388 E HN 0.448 nan 8.360 nan 0.000 0.453 389 M N 1.145 120.744 119.600 -0.001 0.000 2.086 389 M HA -0.163 4.317 4.480 -0.000 0.000 0.261 389 M C 1.729 178.029 176.300 -0.001 0.000 1.067 389 M CA 1.642 56.941 55.300 -0.001 0.000 1.116 389 M CB -0.240 32.358 32.600 -0.002 0.000 1.348 389 M HN -0.122 nan 8.290 nan 0.000 0.407 390 K N 0.192 120.592 120.400 -0.000 0.000 2.209 390 K HA -0.142 4.178 4.320 -0.000 0.000 0.204 390 K C 1.960 178.560 176.600 0.001 0.000 1.048 390 K CA 0.927 57.215 56.287 0.000 0.000 0.940 390 K CB -0.426 32.075 32.500 0.000 0.000 0.729 390 K HN 0.442 nan 8.250 nan 0.000 0.451 391 E N 1.478 121.679 120.200 0.001 0.000 2.028 391 E HA -0.151 4.199 4.350 -0.000 0.000 0.190 391 E C 1.963 178.564 176.600 0.002 0.000 0.984 391 E CA 1.112 57.513 56.400 0.001 0.000 0.800 391 E CB 0.080 29.779 29.700 -0.000 0.000 0.758 391 E HN 0.190 nan 8.360 nan 0.000 0.448 392 K N 1.115 121.515 120.400 0.001 0.000 2.032 392 K HA -0.197 4.123 4.320 -0.000 0.000 0.209 392 K C 2.270 178.871 176.600 0.002 0.000 1.048 392 K CA 1.904 58.191 56.287 0.001 0.000 0.927 392 K CB -0.186 32.314 32.500 -0.001 0.000 0.712 392 K HN -0.083 nan 8.250 nan 0.000 0.441 393 K N -0.020 120.381 120.400 0.002 0.000 2.211 393 K HA -0.159 4.161 4.320 -0.000 0.000 0.204 393 K C 1.739 178.343 176.600 0.007 0.000 1.047 393 K CA 1.224 57.513 56.287 0.003 0.000 0.935 393 K CB -0.120 32.381 32.500 0.002 0.000 0.728 393 K HN 0.272 nan 8.250 nan 0.000 0.452 394 A N 1.302 124.127 122.820 0.008 0.000 1.872 394 A HA -0.067 4.253 4.320 -0.000 0.000 0.214 394 A C 2.071 179.665 177.584 0.017 0.000 1.187 394 A CA 1.048 53.093 52.037 0.013 0.000 0.614 394 A CB -0.384 18.622 19.000 0.009 0.000 0.826 394 A HN 0.303 nan 8.150 nan 0.000 0.442 395 R N -0.551 119.956 120.500 0.011 0.000 2.091 395 R HA -0.101 4.239 4.340 -0.000 0.000 0.238 395 R C 2.020 178.329 176.300 0.015 0.000 1.136 395 R CA 1.508 57.615 56.100 0.012 0.000 0.959 395 R CB -0.542 29.762 30.300 0.006 0.000 0.856 395 R HN 0.385 nan 8.270 nan 0.000 0.437 396 V N 1.031 120.952 119.914 0.010 0.000 2.343 396 V HA -0.228 3.892 4.120 -0.000 0.000 0.247 396 V C 1.992 178.093 176.094 0.011 0.000 1.051 396 V CA 1.766 64.070 62.300 0.006 0.000 1.036 396 V CB -0.401 31.421 31.823 -0.001 0.000 0.654 396 V HN 0.351 nan 8.190 nan 0.000 0.451 397 E N -0.343 119.870 120.200 0.021 0.000 2.153 397 E HA -0.221 4.129 4.350 -0.000 0.000 0.194 397 E C 1.878 178.538 176.600 0.100 0.000 0.988 397 E CA 1.340 57.764 56.400 0.040 0.000 0.811 397 E CB -0.054 29.676 29.700 0.051 0.000 0.746 397 E HN 0.643 nan 8.360 nan 0.000 0.466 398 D N -0.190 120.261 120.400 0.086 0.000 2.162 398 D HA -0.037 4.603 4.640 -0.000 0.000 0.205 398 D C 1.871 178.229 176.300 0.097 0.000 0.964 398 D CA 0.905 54.970 54.000 0.107 0.000 0.847 398 D CB -0.027 40.805 40.800 0.053 0.000 0.988 398 D HN 0.115 nan 8.370 nan 0.000 0.480 399 A N 1.123 123.974 122.820 0.051 0.000 1.972 399 A HA -0.126 4.194 4.320 -0.000 0.000 0.219 399 A C 2.125 179.726 177.584 0.028 0.000 1.169 399 A CA 0.750 52.807 52.037 0.035 0.000 0.635 399 A CB -0.573 18.436 19.000 0.016 0.000 0.810 399 A HN 0.195 nan 8.150 nan 0.000 0.446 400 L N -1.248 119.979 121.223 0.007 0.000 2.362 400 L HA -0.112 4.228 4.340 -0.000 0.000 0.219 400 L C 2.149 178.971 176.870 -0.080 0.000 1.134 400 L CA 1.661 56.472 54.840 -0.049 0.000 0.807 400 L CB -0.536 41.468 42.059 -0.092 0.000 0.927 400 L HN 0.480 nan 8.230 nan 0.000 0.447 401 H N -1.272 117.796 119.070 -0.002 0.000 2.370 401 H HA 0.185 4.741 4.556 0.000 0.000 0.304 401 H C 2.105 177.434 175.328 0.001 0.000 1.055 401 H CA 1.126 57.173 56.048 -0.001 0.000 1.373 401 H CB 0.008 29.769 29.762 -0.001 0.000 1.423 401 H HN 0.411 nan 8.280 nan 0.000 0.533 402 A N 0.300 123.206 122.820 0.142 0.000 1.902 402 A HA -0.161 4.159 4.320 -0.000 0.000 0.217 402 A C 2.592 180.206 177.584 0.051 0.000 1.181 402 A CA 2.087 54.170 52.037 0.077 0.000 0.623 402 A CB -0.947 18.083 19.000 0.050 0.000 0.818 402 A HN 0.371 nan 8.150 nan 0.000 0.443 403 T N -0.419 114.156 114.554 0.036 0.000 2.652 403 T HA -0.160 4.190 4.350 -0.000 0.000 0.267 403 T C 2.060 176.769 174.700 0.015 0.000 1.039 403 T CA 1.453 63.563 62.100 0.017 0.000 1.153 403 T CB -0.264 68.605 68.868 0.003 0.000 0.863 403 T HN 0.394 nan 8.240 nan 0.000 0.428 404 R N 0.743 121.250 120.500 0.012 0.000 2.193 404 R HA 0.049 4.389 4.340 -0.000 0.000 0.229 404 R C 2.390 178.707 176.300 0.029 0.000 1.110 404 R CA 1.043 57.149 56.100 0.011 0.000 0.988 404 R CB -0.408 29.888 30.300 -0.007 0.000 0.871 404 R HN 0.387 nan 8.270 nan 0.000 0.458 405 A N -0.026 122.821 122.820 0.044 0.000 2.123 405 A HA 0.164 4.484 4.320 -0.000 0.000 0.214 405 A C 2.029 179.631 177.584 0.031 0.000 1.152 405 A CA 1.037 53.101 52.037 0.045 0.000 0.728 405 A CB 0.060 19.093 19.000 0.055 0.000 0.814 405 A HN 0.301 nan 8.150 nan 0.000 0.464 406 A N -0.872 121.964 122.820 0.025 0.000 1.956 406 A HA 0.245 4.565 4.320 -0.000 0.000 0.212 406 A C 1.950 179.543 177.584 0.015 0.000 1.188 406 A CA 1.052 53.101 52.037 0.019 0.000 0.675 406 A CB -0.454 18.556 19.000 0.017 0.000 0.845 406 A HN 0.244 nan 8.150 nan 0.000 0.455 407 V N 0.512 120.434 119.914 0.014 0.000 2.594 407 V HA -0.227 3.893 4.120 -0.000 0.000 0.253 407 V C 2.305 178.406 176.094 0.012 0.000 1.069 407 V CA 2.239 64.545 62.300 0.010 0.000 1.082 407 V CB -0.599 31.228 31.823 0.006 0.000 0.680 407 V HN 0.613 nan 8.190 nan 0.000 0.469 408 E N -0.278 119.932 120.200 0.016 0.000 2.042 408 E HA -0.075 4.275 4.350 -0.000 0.000 0.189 408 E C 1.525 178.135 176.600 0.016 0.000 0.974 408 E CA 0.986 57.396 56.400 0.016 0.000 0.806 408 E CB 0.086 29.799 29.700 0.021 0.000 0.769 408 E HN 0.624 nan 8.360 nan 0.000 0.451 409 E N -0.335 119.875 120.200 0.017 0.000 2.660 409 E HA 0.237 4.587 4.350 -0.000 0.000 0.216 409 E C 0.092 176.700 176.600 0.014 0.000 0.986 409 E CA 0.050 56.459 56.400 0.015 0.000 1.037 409 E CB 1.612 31.322 29.700 0.016 0.000 1.041 409 E HN 0.246 nan 8.360 nan 0.000 0.480 410 G N 1.164 109.972 108.800 0.014 0.000 2.760 410 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.246 410 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.246 410 G C -0.338 174.571 174.900 0.015 0.000 1.359 410 G CA -0.430 44.678 45.100 0.014 0.000 0.861 410 G HN 0.525 nan 8.290 nan 0.000 0.541 411 V N -2.148 117.775 119.914 0.014 0.000 3.001 411 V HA 0.993 5.113 4.120 -0.000 0.000 0.314 411 V C 0.487 176.589 176.094 0.014 0.000 1.099 411 V CA 0.365 62.673 62.300 0.014 0.000 0.989 411 V CB 1.594 33.425 31.823 0.012 0.000 1.040 411 V HN 2.538 nan 8.190 nan 0.000 0.434 412 V N -0.166 119.755 119.914 0.013 0.000 3.167 412 V HA 1.007 5.127 4.120 -0.000 0.000 0.310 412 V C 0.411 176.512 176.094 0.012 0.000 1.207 412 V CA -0.700 61.609 62.300 0.015 0.000 1.059 412 V CB 1.203 33.036 31.823 0.016 0.000 1.079 412 V HN 2.230 nan 8.190 nan 0.000 0.446 413 A N 0.827 123.655 122.820 0.014 0.000 2.546 413 A HA 0.618 4.938 4.320 -0.000 0.000 0.243 413 A C 0.933 178.518 177.584 0.001 0.000 1.063 413 A CA 0.718 52.759 52.037 0.007 0.000 0.757 413 A CB -0.548 18.459 19.000 0.012 0.000 0.991 413 A HN 2.010 nan 8.150 nan 0.000 0.503 414 G N 0.975 109.769 108.800 -0.010 0.000 2.624 414 G HA2 0.486 4.446 3.960 -0.000 0.000 0.217 414 G HA3 0.486 4.446 3.960 -0.000 0.000 0.217 414 G C 1.204 176.094 174.900 -0.016 0.000 1.506 414 G CA 0.021 45.114 45.100 -0.012 0.000 1.072 414 G HN 2.218 nan 8.290 nan 0.000 0.568 415 G N -1.590 107.197 108.800 -0.022 0.000 2.309 415 G HA2 0.184 4.144 3.960 -0.000 0.000 0.286 415 G HA3 0.184 4.144 3.960 -0.000 0.000 0.286 415 G C 1.536 176.436 174.900 0.001 0.000 1.002 415 G CA 1.431 46.519 45.100 -0.020 0.000 0.786 415 G HN 2.411 nan 8.290 nan 0.000 0.511 416 G N -2.595 106.207 108.800 0.004 0.000 2.189 416 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.267 416 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.267 416 G C 1.806 176.716 174.900 0.017 0.000 0.975 416 G CA 1.919 47.026 45.100 0.012 0.000 0.644 416 G HN 2.179 nan 8.290 nan 0.000 0.537 417 V N -2.081 117.842 119.914 0.016 0.000 2.488 417 V HA 0.370 4.490 4.120 -0.000 0.000 0.246 417 V C 2.888 179.000 176.094 0.029 0.000 1.046 417 V CA 1.883 64.198 62.300 0.025 0.000 1.053 417 V CB -0.997 30.838 31.823 0.020 0.000 0.679 417 V HN 1.454 nan 8.190 nan 0.000 0.458 418 A N 1.060 123.893 122.820 0.023 0.000 1.927 418 A HA -0.180 4.140 4.320 -0.000 0.000 0.220 418 A C 2.251 179.850 177.584 0.025 0.000 1.185 418 A CA 2.637 54.689 52.037 0.024 0.000 0.639 418 A CB -0.786 18.225 19.000 0.019 0.000 0.820 418 A HN 0.631 nan 8.150 nan 0.000 0.451 419 L N -1.297 119.939 121.223 0.022 0.000 2.044 419 L HA -0.052 4.288 4.340 -0.000 0.000 0.205 419 L C 2.497 179.381 176.870 0.023 0.000 1.075 419 L CA 1.276 56.128 54.840 0.020 0.000 0.747 419 L CB -0.364 41.705 42.059 0.018 0.000 0.903 419 L HN 0.442 nan 8.230 nan 0.000 0.435 420 I N -0.207 120.379 120.570 0.027 0.000 2.454 420 I HA -0.304 3.866 4.170 -0.000 0.000 0.254 420 I C 2.756 178.896 176.117 0.038 0.000 1.156 420 I CA 0.905 62.224 61.300 0.030 0.000 1.433 420 I CB 0.034 38.054 38.000 0.033 0.000 1.082 420 I HN 0.218 nan 8.210 nan 0.000 0.432 421 R N 0.306 120.832 120.500 0.043 0.000 2.057 421 R HA -0.090 4.250 4.340 -0.000 0.000 0.229 421 R C 2.053 178.374 176.300 0.036 0.000 1.136 421 R CA 1.979 58.109 56.100 0.049 0.000 0.952 421 R CB -1.070 29.264 30.300 0.056 0.000 0.848 421 R HN 0.178 nan 8.270 nan 0.000 0.430 422 V N 1.269 121.200 119.914 0.029 0.000 2.370 422 V HA -0.291 3.829 4.120 -0.000 0.000 0.252 422 V C 2.300 178.406 176.094 0.019 0.000 1.068 422 V CA 2.102 64.415 62.300 0.022 0.000 1.061 422 V CB -0.892 30.942 31.823 0.018 0.000 0.656 422 V HN 0.598 nan 8.190 nan 0.000 0.455 423 A N 0.231 123.063 122.820 0.020 0.000 1.872 423 A HA -0.173 4.147 4.320 -0.000 0.000 0.214 423 A C 2.516 180.111 177.584 0.018 0.000 1.187 423 A CA 1.988 54.036 52.037 0.017 0.000 0.614 423 A CB -0.771 18.240 19.000 0.018 0.000 0.826 423 A HN 0.702 nan 8.150 nan 0.000 0.442 424 S N -0.260 115.453 115.700 0.023 0.000 2.442 424 S HA -0.109 4.361 4.470 -0.000 0.000 0.236 424 S C 1.633 176.244 174.600 0.019 0.000 1.007 424 S CA 1.464 59.677 58.200 0.022 0.000 0.965 424 S CB -0.318 62.900 63.200 0.030 0.000 0.773 424 S HN 0.564 nan 8.310 nan 0.000 0.504 425 K N 0.394 120.805 120.400 0.019 0.000 2.432 425 K HA 0.272 4.592 4.320 -0.000 0.000 0.196 425 K C 0.692 177.299 176.600 0.011 0.000 1.038 425 K CA 0.445 56.741 56.287 0.015 0.000 0.986 425 K CB -0.096 32.414 32.500 0.017 0.000 0.782 425 K HN 0.427 nan 8.250 nan 0.000 0.485 426 L N -0.314 120.915 121.223 0.011 0.000 2.965 426 L HA 0.243 4.583 4.340 -0.000 0.000 0.254 426 L C 1.468 178.342 176.870 0.007 0.000 1.220 426 L CA -0.281 54.563 54.840 0.008 0.000 1.023 426 L CB 0.539 42.602 42.059 0.007 0.000 1.355 426 L HN 0.015 nan 8.230 nan 0.000 0.545 427 A N -0.114 122.710 122.820 0.007 0.000 2.019 427 A HA -0.196 4.124 4.320 -0.000 0.000 0.219 427 A C 1.667 179.254 177.584 0.005 0.000 1.164 427 A CA 1.798 53.839 52.037 0.006 0.000 0.644 427 A CB -0.197 18.807 19.000 0.007 0.000 0.805 427 A HN 0.344 nan 8.150 nan 0.000 0.449 428 D N -1.063 119.339 120.400 0.004 0.000 2.277 428 D HA 0.058 4.698 4.640 -0.000 0.000 0.208 428 D C 0.634 176.935 176.300 0.003 0.000 0.962 428 D CA -0.015 53.986 54.000 0.003 0.000 0.865 428 D CB -0.258 40.544 40.800 0.003 0.000 0.939 428 D HN 0.335 nan 8.370 nan 0.000 0.510 429 L N 1.663 122.888 121.223 0.003 0.000 2.559 429 L HA 0.059 4.399 4.340 -0.000 0.000 0.282 429 L C 0.172 177.044 176.870 0.002 0.000 1.232 429 L CA 0.727 55.569 54.840 0.002 0.000 0.885 429 L CB 0.005 42.066 42.059 0.003 0.000 1.131 429 L HN -0.123 nan 8.230 nan 0.000 0.498 430 R N 3.010 123.511 120.500 0.002 0.000 2.855 430 R HA 0.779 5.119 4.340 -0.000 0.000 0.266 430 R C -0.325 175.975 176.300 0.001 0.000 1.034 430 R CA -0.343 55.758 56.100 0.001 0.000 0.944 430 R CB 1.447 31.747 30.300 0.001 0.000 1.219 430 R HN 0.812 nan 8.270 nan 0.000 0.474 431 G N -0.594 108.207 108.800 0.001 0.000 3.211 431 G HA2 0.233 4.193 3.960 -0.000 0.000 0.262 431 G HA3 0.233 4.193 3.960 -0.000 0.000 0.262 431 G C 0.002 174.902 174.900 0.001 0.000 1.352 431 G CA -0.337 44.763 45.100 0.001 0.000 1.004 431 G HN 0.391 nan 8.290 nan 0.000 0.559 432 Q N -0.670 119.130 119.800 0.001 0.000 2.291 432 Q HA -0.025 4.315 4.340 -0.000 0.000 0.206 432 Q C 0.261 176.261 176.000 0.001 0.000 0.976 432 Q CA 1.444 57.247 55.803 0.001 0.000 0.875 432 Q CB -0.080 28.659 28.738 0.001 0.000 0.927 432 Q HN 0.604 nan 8.270 nan 0.000 0.450 433 N N -2.724 115.976 118.700 0.001 0.000 2.927 433 N HA 0.038 4.778 4.740 -0.000 0.000 0.248 433 N C -0.242 175.269 175.510 0.001 0.000 1.443 433 N CA -0.519 52.532 53.050 0.001 0.000 0.870 433 N CB 0.578 39.065 38.487 0.001 0.000 1.444 433 N HN -0.303 nan 8.380 nan 0.000 0.519 434 E N -0.157 120.043 120.200 0.001 0.000 2.130 434 E HA -0.193 4.157 4.350 -0.000 0.000 0.196 434 E C 0.480 177.081 176.600 0.002 0.000 0.998 434 E CA 1.821 58.222 56.400 0.001 0.000 0.806 434 E CB -0.263 29.437 29.700 0.001 0.000 0.738 434 E HN 0.596 nan 8.360 nan 0.000 0.459 435 D N 0.056 120.457 120.400 0.002 0.000 2.087 435 D HA -0.188 4.452 4.640 -0.000 0.000 0.192 435 D C 1.968 178.270 176.300 0.002 0.000 0.993 435 D CA 1.236 55.237 54.000 0.002 0.000 0.828 435 D CB -0.412 40.390 40.800 0.003 0.000 0.968 435 D HN 0.343 nan 8.370 nan 0.000 0.448 436 Q N 0.166 119.967 119.800 0.002 0.000 2.197 436 Q HA -0.156 4.184 4.340 -0.000 0.000 0.207 436 Q C 1.870 177.871 176.000 0.002 0.000 0.984 436 Q CA 0.904 56.709 55.803 0.002 0.000 0.869 436 Q CB -0.005 28.734 28.738 0.002 0.000 0.906 436 Q HN 0.258 nan 8.270 nan 0.000 0.426 437 N N -0.295 118.407 118.700 0.002 0.000 2.120 437 N HA -0.125 4.615 4.740 -0.000 0.000 0.188 437 N C 1.833 177.345 175.510 0.003 0.000 1.024 437 N CA 1.058 54.109 53.050 0.002 0.000 0.852 437 N CB -0.331 38.157 38.487 0.002 0.000 1.003 437 N HN 0.065 nan 8.380 nan 0.000 0.424 438 V N 1.153 121.069 119.914 0.003 0.000 2.295 438 V HA -0.177 3.943 4.120 -0.000 0.000 0.246 438 V C 2.502 178.598 176.094 0.003 0.000 1.049 438 V CA 2.043 64.345 62.300 0.003 0.000 1.024 438 V CB -1.335 30.490 31.823 0.003 0.000 0.648 438 V HN 0.340 nan 8.190 nan 0.000 0.447 439 G N -0.055 108.747 108.800 0.003 0.000 2.513 439 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.219 439 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.219 439 G C 1.511 176.413 174.900 0.003 0.000 1.160 439 G CA 1.466 46.568 45.100 0.004 0.000 0.767 439 G HN 0.435 nan 8.290 nan 0.000 0.571 440 I N 0.747 121.319 120.570 0.003 0.000 2.090 440 I HA -0.088 4.082 4.170 -0.000 0.000 0.236 440 I C 2.646 178.765 176.117 0.004 0.000 1.064 440 I CA 1.283 62.585 61.300 0.003 0.000 1.324 440 I CB -0.175 37.827 38.000 0.003 0.000 1.044 440 I HN -0.052 nan 8.210 nan 0.000 0.399 441 K N 0.183 120.585 120.400 0.004 0.000 2.228 441 K HA -0.142 4.178 4.320 -0.000 0.000 0.205 441 K C 2.158 178.761 176.600 0.005 0.000 1.045 441 K CA 1.129 57.419 56.287 0.005 0.000 0.931 441 K CB -0.824 31.678 32.500 0.004 0.000 0.727 441 K HN 0.245 nan 8.250 nan 0.000 0.458 442 V N 1.149 121.066 119.914 0.005 0.000 2.323 442 V HA -0.206 3.914 4.120 -0.000 0.000 0.244 442 V C 2.444 178.542 176.094 0.007 0.000 1.041 442 V CA 1.854 64.158 62.300 0.006 0.000 1.025 442 V CB -0.635 31.191 31.823 0.006 0.000 0.656 442 V HN 0.307 nan 8.190 nan 0.000 0.451 443 A N -0.253 122.571 122.820 0.006 0.000 1.902 443 A HA -0.167 4.153 4.320 -0.000 0.000 0.217 443 A C 2.187 179.776 177.584 0.007 0.000 1.181 443 A CA 1.842 53.883 52.037 0.007 0.000 0.623 443 A CB -0.549 18.453 19.000 0.005 0.000 0.818 443 A HN 0.503 nan 8.150 nan 0.000 0.443 444 L N -1.333 119.895 121.223 0.007 0.000 2.017 444 L HA -0.189 4.151 4.340 -0.000 0.000 0.208 444 L C 2.809 179.685 176.870 0.009 0.000 1.073 444 L CA 1.845 56.690 54.840 0.008 0.000 0.745 444 L CB -0.611 41.453 42.059 0.008 0.000 0.894 444 L HN 0.434 nan 8.230 nan 0.000 0.432 445 R N 0.300 120.805 120.500 0.008 0.000 2.103 445 R HA -0.213 4.127 4.340 -0.000 0.000 0.242 445 R C 2.322 178.627 176.300 0.009 0.000 1.142 445 R CA 1.604 57.709 56.100 0.008 0.000 0.960 445 R CB -0.243 30.061 30.300 0.007 0.000 0.858 445 R HN 0.386 nan 8.270 nan 0.000 0.439 446 A N 0.548 123.374 122.820 0.009 0.000 1.933 446 A HA -0.147 4.173 4.320 -0.000 0.000 0.218 446 A C 2.057 179.648 177.584 0.011 0.000 1.175 446 A CA 1.400 53.443 52.037 0.010 0.000 0.628 446 A CB -0.378 18.628 19.000 0.011 0.000 0.814 446 A HN 0.348 nan 8.150 nan 0.000 0.444 447 M N -0.406 119.201 119.600 0.012 0.000 2.706 447 M HA -0.117 4.363 4.480 -0.000 0.000 0.251 447 M C 1.263 177.571 176.300 0.014 0.000 1.070 447 M CA 0.950 56.258 55.300 0.013 0.000 1.073 447 M CB -0.237 32.371 32.600 0.013 0.000 1.449 447 M HN 0.480 nan 8.290 nan 0.000 0.531 448 E N -0.119 120.089 120.200 0.013 0.000 2.415 448 E HA 0.066 4.416 4.350 -0.000 0.000 0.197 448 E C 2.077 178.683 176.600 0.010 0.000 1.007 448 E CA 0.353 56.760 56.400 0.012 0.000 0.890 448 E CB 0.139 29.845 29.700 0.011 0.000 0.891 448 E HN 0.489 nan 8.360 nan 0.000 0.496 449 A N 2.588 125.414 122.820 0.010 0.000 1.859 449 A HA -0.191 4.129 4.320 -0.000 0.000 0.218 449 A C -0.347 177.242 177.584 0.009 0.000 1.209 449 A CA 1.657 53.700 52.037 0.009 0.000 0.639 449 A CB -1.696 17.310 19.000 0.010 0.000 0.835 449 A HN 0.119 nan 8.150 nan 0.000 0.450 450 P HA -0.215 nan 4.420 nan 0.000 0.216 450 P C 1.838 179.145 177.300 0.012 0.000 1.167 450 P CA 1.365 64.472 63.100 0.011 0.000 0.914 450 P CB -0.162 31.546 31.700 0.012 0.000 0.793 451 L N -1.025 120.206 121.223 0.014 0.000 1.994 451 L HA -0.181 4.159 4.340 -0.000 0.000 0.208 451 L C 2.504 179.382 176.870 0.013 0.000 1.071 451 L CA 1.720 56.571 54.840 0.018 0.000 0.745 451 L CB -0.331 41.738 42.059 0.017 0.000 0.892 451 L HN -0.169 nan 8.230 nan 0.000 0.431 452 R N -0.769 119.734 120.500 0.005 0.000 2.159 452 R HA -0.251 4.089 4.340 -0.000 0.000 0.237 452 R C 2.191 178.493 176.300 0.004 0.000 1.131 452 R CA 1.668 57.768 56.100 -0.000 0.000 0.982 452 R CB -0.172 30.128 30.300 -0.001 0.000 0.868 452 R HN 0.422 nan 8.270 nan 0.000 0.453 453 Q N 0.780 120.585 119.800 0.008 0.000 2.089 453 Q HA -0.004 4.336 4.340 -0.000 0.000 0.195 453 Q C 1.806 177.814 176.000 0.013 0.000 0.963 453 Q CA 1.287 57.095 55.803 0.009 0.000 0.834 453 Q CB 0.003 28.745 28.738 0.007 0.000 0.906 453 Q HN 0.285 nan 8.270 nan 0.000 0.452 454 I N -0.358 120.222 120.570 0.017 0.000 2.151 454 I HA -0.307 3.863 4.170 -0.000 0.000 0.243 454 I C 2.108 178.249 176.117 0.040 0.000 1.080 454 I CA 1.106 62.420 61.300 0.023 0.000 1.339 454 I CB -0.461 37.554 38.000 0.025 0.000 1.039 454 I HN 0.087 nan 8.210 nan 0.000 0.409 455 V N 0.661 120.606 119.914 0.052 0.000 2.255 455 V HA -0.293 3.827 4.120 -0.000 0.000 0.247 455 V C 2.421 178.536 176.094 0.035 0.000 1.051 455 V CA 1.896 64.234 62.300 0.062 0.000 1.018 455 V CB -0.516 31.311 31.823 0.007 0.000 0.641 455 V HN 0.349 nan 8.190 nan 0.000 0.445 456 L N 0.835 122.069 121.223 0.018 0.000 2.042 456 L HA -0.185 4.155 4.340 -0.000 0.000 0.210 456 L C 2.180 179.059 176.870 0.014 0.000 1.076 456 L CA 1.974 56.822 54.840 0.012 0.000 0.749 456 L CB -1.140 40.923 42.059 0.007 0.000 0.893 456 L HN 0.346 nan 8.230 nan 0.000 0.432 457 N N -0.948 117.760 118.700 0.014 0.000 2.272 457 N HA -0.161 4.579 4.740 -0.000 0.000 0.185 457 N C 1.378 176.896 175.510 0.013 0.000 1.014 457 N CA 1.563 54.619 53.050 0.010 0.000 0.870 457 N CB -0.548 37.943 38.487 0.007 0.000 0.975 457 N HN 0.431 nan 8.380 nan 0.000 0.433 458 C N 0.283 119.596 119.300 0.023 0.000 2.559 458 C HA 0.343 4.803 4.460 -0.000 0.000 0.300 458 C C 1.480 176.487 174.990 0.030 0.000 1.288 458 C CA -0.478 58.556 59.018 0.027 0.000 1.699 458 C CB -1.188 26.580 27.740 0.047 0.000 1.819 458 C HN 0.530 nan 8.230 nan 0.000 0.600 459 G N 1.845 110.658 108.800 0.022 0.000 2.341 459 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.292 459 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.292 459 G C 0.035 174.950 174.900 0.025 0.000 1.021 459 G CA 0.410 45.522 45.100 0.020 0.000 0.905 459 G HN 0.547 nan 8.290 nan 0.000 0.508 460 E N -0.846 119.370 120.200 0.027 0.000 2.700 460 E HA 0.591 4.941 4.350 -0.000 0.000 0.253 460 E C 0.284 176.887 176.600 0.005 0.000 1.175 460 E CA -0.935 55.479 56.400 0.023 0.000 1.010 460 E CB 0.549 30.266 29.700 0.027 0.000 1.284 460 E HN 0.088 nan 8.360 nan 0.000 0.557 461 K N 1.471 121.865 120.400 -0.010 0.000 2.354 461 K HA 0.295 4.615 4.320 -0.000 0.000 0.257 461 K C -2.226 174.352 176.600 -0.036 0.000 1.062 461 K CA -2.265 54.013 56.287 -0.015 0.000 0.971 461 K CB 0.843 33.337 32.500 -0.010 0.000 1.305 461 K HN 0.004 nan 8.250 nan 0.000 0.449 462 P HA -0.204 nan 4.420 nan 0.000 0.215 462 P C 0.793 178.070 177.300 -0.039 0.000 1.163 462 P CA 1.198 64.276 63.100 -0.036 0.000 0.894 462 P CB 0.328 32.018 31.700 -0.017 0.000 0.791 463 S N -0.959 114.727 115.700 -0.023 0.000 2.351 463 S HA -0.145 4.325 4.470 -0.000 0.000 0.220 463 S C 1.943 176.532 174.600 -0.018 0.000 1.035 463 S CA 1.540 59.730 58.200 -0.016 0.000 1.031 463 S CB -1.240 61.955 63.200 -0.008 0.000 0.928 463 S HN -0.119 nan 8.310 nan 0.000 0.433 464 V N 1.595 121.497 119.914 -0.020 0.000 2.220 464 V HA -0.224 3.896 4.120 -0.000 0.000 0.250 464 V C 2.333 178.418 176.094 -0.015 0.000 1.056 464 V CA 2.103 64.395 62.300 -0.013 0.000 1.016 464 V CB -1.086 30.731 31.823 -0.010 0.000 0.639 464 V HN 0.380 nan 8.190 nan 0.000 0.446 465 V N 0.246 120.115 119.914 -0.074 0.000 2.453 465 V HA -0.301 3.819 4.120 -0.000 0.000 0.252 465 V C 2.617 178.661 176.094 -0.084 0.000 1.068 465 V CA 2.151 64.350 62.300 -0.168 0.000 1.070 465 V CB -1.290 30.253 31.823 -0.467 0.000 0.664 465 V HN 0.594 nan 8.190 nan 0.000 0.461 466 A N 0.303 123.094 122.820 -0.048 0.000 1.872 466 A HA -0.194 4.126 4.320 -0.000 0.000 0.214 466 A C 2.056 179.659 177.584 0.032 0.000 1.187 466 A CA 1.895 53.927 52.037 -0.007 0.000 0.614 466 A CB -0.731 18.264 19.000 -0.008 0.000 0.826 466 A HN 0.651 nan 8.150 nan 0.000 0.442 467 N N -0.409 118.307 118.700 0.027 0.000 2.120 467 N HA -0.126 4.614 4.740 -0.000 0.000 0.188 467 N C 1.667 177.216 175.510 0.065 0.000 1.024 467 N CA 1.849 54.920 53.050 0.035 0.000 0.852 467 N CB -0.314 38.184 38.487 0.018 0.000 1.003 467 N HN 0.471 nan 8.380 nan 0.000 0.424 468 T N 0.498 115.104 114.554 0.087 0.000 2.684 468 T HA -0.114 4.236 4.350 -0.000 0.000 0.267 468 T C 2.114 176.970 174.700 0.259 0.000 1.036 468 T CA 1.052 63.236 62.100 0.138 0.000 1.148 468 T CB -0.488 68.480 68.868 0.166 0.000 0.863 468 T HN 0.013 nan 8.240 nan 0.000 0.436 469 V N 1.427 121.496 119.914 0.259 0.000 2.490 469 V HA -0.120 4.000 4.120 -0.000 0.000 0.250 469 V C 2.369 178.594 176.094 0.219 0.000 1.061 469 V CA 1.421 63.884 62.300 0.272 0.000 1.064 469 V CB -0.515 31.391 31.823 0.139 0.000 0.670 469 V HN 0.465 nan 8.190 nan 0.000 0.461 470 K N 0.093 120.573 120.400 0.134 0.000 2.432 470 K HA 0.004 4.324 4.320 -0.000 0.000 0.196 470 K C 2.125 178.772 176.600 0.079 0.000 1.038 470 K CA 0.875 57.217 56.287 0.092 0.000 0.986 470 K CB -0.204 32.329 32.500 0.056 0.000 0.782 470 K HN 0.569 nan 8.250 nan 0.000 0.485 471 G N 1.316 110.170 108.800 0.090 0.000 2.404 471 G HA2 -0.094 3.866 3.960 -0.000 0.000 0.214 471 G HA3 -0.094 3.866 3.960 -0.000 0.000 0.214 471 G C 0.901 175.798 174.900 -0.005 0.000 1.189 471 G CA 0.586 45.707 45.100 0.034 0.000 0.789 471 G HN 0.370 nan 8.290 nan 0.000 0.533 472 G N -0.665 108.137 108.800 0.003 0.000 2.527 472 G HA2 0.392 4.352 3.960 -0.000 0.000 0.279 472 G HA3 0.392 4.352 3.960 -0.000 0.000 0.279 472 G C -0.904 173.998 174.900 0.003 0.000 1.374 472 G CA 0.317 45.326 45.100 -0.151 0.000 1.053 472 G HN 0.348 nan 8.290 nan 0.000 0.539 473 D N -3.775 116.630 120.400 0.009 0.000 2.583 473 D HA 0.532 5.172 4.640 -0.000 0.000 0.248 473 D C 0.609 176.965 176.300 0.092 0.000 1.209 473 D CA 1.108 55.137 54.000 0.049 0.000 0.848 473 D CB 1.464 42.268 40.800 0.006 0.000 1.431 473 D HN 1.203 nan 8.370 nan 0.000 0.436 474 G N 1.621 110.468 108.800 0.078 0.000 2.514 474 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.265 474 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.265 474 G C 0.095 175.055 174.900 0.100 0.000 1.150 474 G CA 0.292 45.440 45.100 0.080 0.000 0.959 474 G HN 0.583 nan 8.290 nan 0.000 0.556 475 N N 0.150 118.913 118.700 0.106 0.000 2.376 475 N HA 0.351 5.091 4.740 -0.000 0.000 0.249 475 N C -0.231 175.354 175.510 0.126 0.000 1.140 475 N CA -0.085 53.020 53.050 0.092 0.000 0.870 475 N CB 0.357 38.879 38.487 0.058 0.000 1.124 475 N HN 0.536 nan 8.380 nan 0.000 0.505 476 Y N 1.133 121.465 120.300 0.053 0.000 2.587 476 Y HA 0.418 4.968 4.550 -0.000 0.000 0.344 476 Y C 0.882 176.841 175.900 0.097 0.000 1.061 476 Y CA -0.258 57.889 58.100 0.078 0.000 1.370 476 Y CB -0.211 38.298 38.460 0.081 0.000 1.163 476 Y HN 0.129 nan 8.280 nan 0.000 0.527 477 G N 4.125 112.757 108.800 -0.278 0.000 3.252 477 G HA2 0.292 4.252 3.960 -0.000 0.000 0.181 477 G HA3 0.292 4.252 3.960 -0.000 0.000 0.181 477 G C -2.151 172.586 174.900 -0.272 0.000 1.187 477 G CA -0.703 44.276 45.100 -0.200 0.000 0.886 477 G HN 0.493 nan 8.290 nan 0.000 0.615 478 Y N 1.146 121.235 120.300 -0.352 0.000 2.400 478 Y HA 0.417 4.967 4.550 0.000 0.000 0.335 478 Y C -0.410 175.298 175.900 -0.320 0.000 1.066 478 Y CA -1.395 56.402 58.100 -0.504 0.000 1.285 478 Y CB 0.858 38.945 38.460 -0.622 0.000 1.103 478 Y HN 0.415 nan 8.280 nan 0.000 0.490 479 N N 4.339 122.695 118.700 -0.574 0.000 2.400 479 N HA 0.060 4.800 4.740 -0.000 0.000 0.278 479 N C 0.869 175.899 175.510 -0.799 0.000 1.247 479 N CA 0.936 53.695 53.050 -0.485 0.000 0.970 479 N CB 1.177 39.474 38.487 -0.316 0.000 1.312 479 N HN 0.842 nan 8.380 nan 0.000 0.488 480 A N 3.600 125.995 122.820 -0.707 0.000 2.172 480 A HA -0.006 4.314 4.320 -0.000 0.000 0.216 480 A C 1.997 179.374 177.584 -0.345 0.000 1.154 480 A CA 1.351 53.005 52.037 -0.638 0.000 0.701 480 A CB -0.313 18.569 19.000 -0.197 0.000 0.789 480 A HN 0.717 nan 8.150 nan 0.000 0.465 481 A N -0.497 122.158 122.820 -0.276 0.000 2.016 481 A HA 0.065 4.385 4.320 -0.000 0.000 0.217 481 A C 1.946 179.436 177.584 -0.156 0.000 1.162 481 A CA 1.905 53.842 52.037 -0.167 0.000 0.662 481 A CB -0.478 18.445 19.000 -0.129 0.000 0.812 481 A HN 0.818 nan 8.150 nan 0.000 0.450 482 T N -4.053 110.373 114.554 -0.213 0.000 3.231 482 T HA 0.380 4.730 4.350 -0.000 0.000 0.292 482 T C 0.011 174.616 174.700 -0.159 0.000 1.001 482 T CA 0.523 62.533 62.100 -0.150 0.000 0.920 482 T CB -0.175 68.624 68.868 -0.116 0.000 1.140 482 T HN 0.393 nan 8.240 nan 0.000 0.525 483 E N 0.975 121.018 120.200 -0.261 0.000 2.670 483 E HA -0.224 4.126 4.350 -0.000 0.000 0.257 483 E C -0.345 176.241 176.600 -0.023 0.000 1.186 483 E CA 1.215 57.525 56.400 -0.149 0.000 0.734 483 E CB -1.589 28.145 29.700 0.058 0.000 1.325 483 E HN 0.806 nan 8.360 nan 0.000 0.426 484 E N -0.066 120.040 120.200 -0.157 0.000 2.176 484 E HA 0.311 4.661 4.350 -0.000 0.000 0.267 484 E C -0.442 176.157 176.600 -0.002 0.000 0.893 484 E CA -0.835 55.593 56.400 0.046 0.000 0.761 484 E CB 0.894 30.614 29.700 0.033 0.000 1.133 484 E HN 0.029 nan 8.360 nan 0.000 0.409 485 Y N 1.157 121.481 120.300 0.039 0.000 2.258 485 Y HA 0.500 5.050 4.550 -0.000 0.000 0.345 485 Y C 1.366 177.195 175.900 -0.119 0.000 1.303 485 Y CA 0.528 58.580 58.100 -0.080 0.000 1.537 485 Y CB 0.689 39.107 38.460 -0.070 0.000 1.383 485 Y HN 0.743 nan 8.280 nan 0.000 0.606 486 G N -0.039 108.681 108.800 -0.134 0.000 2.332 486 G HA2 -0.067 3.893 3.960 -0.000 0.000 0.265 486 G HA3 -0.067 3.893 3.960 -0.000 0.000 0.265 486 G C -1.621 173.281 174.900 0.003 0.000 1.329 486 G CA -1.093 44.037 45.100 0.049 0.000 0.949 486 G HN 0.641 nan 8.290 nan 0.000 0.476 487 N N 0.981 119.728 118.700 0.079 0.000 2.430 487 N HA 0.220 4.960 4.740 -0.000 0.000 0.265 487 N C 1.670 177.183 175.510 0.005 0.000 1.100 487 N CA -0.476 52.614 53.050 0.066 0.000 0.961 487 N CB 0.923 39.456 38.487 0.076 0.000 1.075 487 N HN 0.400 nan 8.380 nan 0.000 0.478 488 M N 3.467 123.061 119.600 -0.010 0.000 2.132 488 M HA -0.102 4.378 4.480 -0.000 0.000 0.263 488 M C 1.647 177.938 176.300 -0.016 0.000 1.065 488 M CA 0.900 56.181 55.300 -0.031 0.000 1.122 488 M CB -0.560 32.021 32.600 -0.033 0.000 1.365 488 M HN 0.545 nan 8.290 nan 0.000 0.411 489 I N 0.579 121.151 120.570 0.002 0.000 2.226 489 I HA -0.260 3.910 4.170 -0.000 0.000 0.245 489 I C 1.706 177.825 176.117 0.002 0.000 1.100 489 I CA 1.589 62.892 61.300 0.004 0.000 1.374 489 I CB -1.548 36.460 38.000 0.013 0.000 1.057 489 I HN 0.220 nan 8.210 nan 0.000 0.413 490 D N 0.386 120.790 120.400 0.008 0.000 2.178 490 D HA -0.105 4.535 4.640 -0.000 0.000 0.202 490 D C 2.281 178.579 176.300 -0.003 0.000 0.974 490 D CA 0.922 54.926 54.000 0.007 0.000 0.841 490 D CB -0.109 40.702 40.800 0.018 0.000 0.953 490 D HN 0.260 nan 8.370 nan 0.000 0.478 491 M N -1.014 118.577 119.600 -0.014 0.000 2.619 491 M HA 0.119 4.599 4.480 -0.000 0.000 0.251 491 M C 1.041 177.322 176.300 -0.031 0.000 1.106 491 M CA 0.791 56.074 55.300 -0.028 0.000 1.086 491 M CB 0.381 32.951 32.600 -0.050 0.000 1.465 491 M HN 0.152 nan 8.290 nan 0.000 0.506 492 G N 1.815 110.601 108.800 -0.024 0.000 2.132 492 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.228 492 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.228 492 G C -0.012 174.870 174.900 -0.029 0.000 1.000 492 G CA -0.427 44.659 45.100 -0.022 0.000 0.693 492 G HN 0.477 nan 8.290 nan 0.000 0.515 493 I N 1.195 121.744 120.570 -0.035 0.000 2.388 493 I HA 0.514 4.684 4.170 -0.000 0.000 0.281 493 I C 0.220 176.321 176.117 -0.026 0.000 1.046 493 I CA -0.807 60.469 61.300 -0.040 0.000 1.187 493 I CB 0.555 38.516 38.000 -0.064 0.000 1.351 493 I HN 0.239 nan 8.210 nan 0.000 0.472 494 L N 3.688 124.901 121.223 -0.017 0.000 2.403 494 L HA 0.810 5.150 4.340 -0.000 0.000 0.253 494 L C -1.394 175.474 176.870 -0.003 0.000 1.045 494 L CA -0.686 54.150 54.840 -0.007 0.000 0.845 494 L CB 1.707 43.765 42.059 -0.002 0.000 1.447 494 L HN 0.029 nan 8.230 nan 0.000 0.411 495 D N -0.367 120.034 120.400 0.003 0.000 2.934 495 D HA 0.437 5.077 4.640 -0.000 0.000 0.230 495 D C -2.826 173.481 176.300 0.012 0.000 1.204 495 D CA -1.130 52.875 54.000 0.007 0.000 0.873 495 D CB 2.610 43.414 40.800 0.007 0.000 1.645 495 D HN 0.371 nan 8.370 nan 0.000 0.502 496 P HA 0.027 nan 4.420 nan 0.000 0.263 496 P C 0.924 178.236 177.300 0.020 0.000 1.195 496 P CA 0.204 63.316 63.100 0.020 0.000 0.762 496 P CB 0.576 32.291 31.700 0.027 0.000 0.799 497 T N 3.057 117.622 114.554 0.018 0.000 2.680 497 T HA -0.265 4.085 4.350 -0.000 0.000 0.268 497 T C 1.615 176.327 174.700 0.020 0.000 1.033 497 T CA 1.509 63.620 62.100 0.017 0.000 1.152 497 T CB -0.360 68.517 68.868 0.015 0.000 0.859 497 T HN 0.506 nan 8.240 nan 0.000 0.452 498 K N 0.784 121.198 120.400 0.024 0.000 2.211 498 K HA -0.120 4.200 4.320 -0.000 0.000 0.204 498 K C 2.362 178.984 176.600 0.037 0.000 1.047 498 K CA 1.470 57.774 56.287 0.029 0.000 0.935 498 K CB -0.230 32.291 32.500 0.035 0.000 0.728 498 K HN 0.419 nan 8.250 nan 0.000 0.452 499 V N -1.498 118.437 119.914 0.035 0.000 2.446 499 V HA -0.097 4.023 4.120 -0.000 0.000 0.244 499 V C 1.767 177.885 176.094 0.040 0.000 1.039 499 V CA 1.916 64.240 62.300 0.040 0.000 1.045 499 V CB -0.485 31.355 31.823 0.028 0.000 0.681 499 V HN 0.205 nan 8.190 nan 0.000 0.459 500 T N 0.742 115.313 114.554 0.028 0.000 2.708 500 T HA -0.164 4.186 4.350 -0.000 0.000 0.266 500 T C 1.970 176.684 174.700 0.024 0.000 1.037 500 T CA 2.207 64.322 62.100 0.025 0.000 1.146 500 T CB -0.419 68.460 68.868 0.019 0.000 0.865 500 T HN 0.618 nan 8.240 nan 0.000 0.435 501 R N 0.922 121.432 120.500 0.017 0.000 2.083 501 R HA -0.122 4.218 4.340 -0.000 0.000 0.237 501 R C 2.536 178.834 176.300 -0.003 0.000 1.137 501 R CA 1.891 57.992 56.100 0.001 0.000 0.951 501 R CB -0.415 29.883 30.300 -0.005 0.000 0.851 501 R HN 0.238 nan 8.270 nan 0.000 0.434 502 S N 0.507 116.226 115.700 0.031 0.000 2.351 502 S HA -0.161 4.309 4.470 -0.000 0.000 0.220 502 S C 2.061 176.758 174.600 0.161 0.000 1.035 502 S CA 1.269 59.522 58.200 0.088 0.000 1.031 502 S CB -0.451 62.858 63.200 0.181 0.000 0.928 502 S HN 0.601 nan 8.310 nan 0.000 0.433 503 A N 1.330 124.230 122.820 0.133 0.000 1.903 503 A HA -0.160 4.160 4.320 -0.000 0.000 0.219 503 A C 2.166 179.807 177.584 0.096 0.000 1.191 503 A CA 1.832 53.942 52.037 0.122 0.000 0.638 503 A CB -0.896 18.144 19.000 0.067 0.000 0.823 503 A HN 0.406 nan 8.150 nan 0.000 0.451 504 L N -0.188 121.063 121.223 0.047 0.000 1.976 504 L HA -0.209 4.131 4.340 -0.000 0.000 0.209 504 L C 2.679 179.548 176.870 -0.002 0.000 1.071 504 L CA 2.446 57.299 54.840 0.022 0.000 0.746 504 L CB -0.837 41.225 42.059 0.005 0.000 0.890 504 L HN 0.519 nan 8.230 nan 0.000 0.432 505 Q N -1.445 118.318 119.800 -0.061 0.000 2.133 505 Q HA -0.281 4.059 4.340 -0.000 0.000 0.208 505 Q C 2.223 178.127 176.000 -0.160 0.000 0.991 505 Q CA 2.288 58.000 55.803 -0.152 0.000 0.867 505 Q CB -0.588 27.981 28.738 -0.283 0.000 0.911 505 Q HN 0.526 nan 8.270 nan 0.000 0.417 506 Y N 0.417 120.718 120.300 0.001 0.000 2.163 506 Y HA -0.157 4.393 4.550 -0.000 0.000 0.288 506 Y C 2.556 178.456 175.900 0.000 0.000 1.136 506 Y CA 0.904 59.004 58.100 -0.000 0.000 1.147 506 Y CB -0.848 37.610 38.460 -0.002 0.000 0.987 506 Y HN 0.135 nan 8.280 nan 0.000 0.509 507 A N 0.145 123.063 122.820 0.162 0.000 1.892 507 A HA -0.216 4.104 4.320 -0.000 0.000 0.218 507 A C 2.473 180.094 177.584 0.062 0.000 1.188 507 A CA 2.291 54.383 52.037 0.091 0.000 0.631 507 A CB -1.370 17.668 19.000 0.062 0.000 0.822 507 A HN 0.413 nan 8.150 nan 0.000 0.447 508 A N -0.972 121.872 122.820 0.040 0.000 1.972 508 A HA -0.096 4.224 4.320 -0.000 0.000 0.219 508 A C 2.438 180.036 177.584 0.023 0.000 1.169 508 A CA 2.194 54.243 52.037 0.020 0.000 0.635 508 A CB -0.928 18.071 19.000 -0.000 0.000 0.810 508 A HN 0.588 nan 8.150 nan 0.000 0.446 509 S N -0.783 114.938 115.700 0.034 0.000 2.354 509 S HA -0.166 4.304 4.470 -0.000 0.000 0.219 509 S C 2.018 176.647 174.600 0.049 0.000 1.035 509 S CA 1.887 60.112 58.200 0.041 0.000 1.037 509 S CB -0.719 62.525 63.200 0.074 0.000 0.956 509 S HN 0.727 nan 8.310 nan 0.000 0.428 510 V N 2.016 121.970 119.914 0.066 0.000 2.407 510 V HA -0.066 4.054 4.120 -0.000 0.000 0.248 510 V C 2.546 178.661 176.094 0.035 0.000 1.055 510 V CA 2.261 64.590 62.300 0.049 0.000 1.049 510 V CB -1.263 30.590 31.823 0.050 0.000 0.662 510 V HN 0.600 nan 8.190 nan 0.000 0.455 511 A N 0.163 123.003 122.820 0.033 0.000 1.908 511 A HA -0.071 4.249 4.320 -0.000 0.000 0.218 511 A C 2.383 179.980 177.584 0.020 0.000 1.181 511 A CA 2.115 54.167 52.037 0.024 0.000 0.627 511 A CB -1.537 17.477 19.000 0.022 0.000 0.818 511 A HN 0.701 nan 8.150 nan 0.000 0.445 512 G N -0.113 108.699 108.800 0.020 0.000 2.433 512 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.216 512 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.216 512 G C 1.566 176.477 174.900 0.017 0.000 1.186 512 G CA 1.053 46.162 45.100 0.016 0.000 0.779 512 G HN 0.432 nan 8.290 nan 0.000 0.543 513 L N -0.255 120.981 121.223 0.021 0.000 2.013 513 L HA -0.172 4.168 4.340 -0.000 0.000 0.212 513 L C 3.142 180.024 176.870 0.019 0.000 1.073 513 L CA 1.526 56.379 54.840 0.021 0.000 0.753 513 L CB -0.385 41.689 42.059 0.024 0.000 0.890 513 L HN 0.250 nan 8.230 nan 0.000 0.432 514 M N -0.702 118.910 119.600 0.020 0.000 2.117 514 M HA -0.202 4.278 4.480 -0.000 0.000 0.262 514 M C 2.261 178.570 176.300 0.015 0.000 1.065 514 M CA 1.730 57.040 55.300 0.018 0.000 1.114 514 M CB -0.299 32.311 32.600 0.018 0.000 1.361 514 M HN 0.195 nan 8.290 nan 0.000 0.408 515 I N -0.119 120.460 120.570 0.014 0.000 2.454 515 I HA -0.209 3.961 4.170 -0.000 0.000 0.254 515 I C 1.681 177.806 176.117 0.014 0.000 1.156 515 I CA 1.370 62.678 61.300 0.013 0.000 1.433 515 I CB -0.669 37.338 38.000 0.012 0.000 1.082 515 I HN 0.394 nan 8.210 nan 0.000 0.432 516 T N -2.947 111.616 114.554 0.015 0.000 3.251 516 T HA 0.182 4.532 4.350 -0.000 0.000 0.259 516 T C 0.419 175.131 174.700 0.020 0.000 0.998 516 T CA -0.340 61.770 62.100 0.017 0.000 0.905 516 T CB -0.368 68.510 68.868 0.016 0.000 1.067 516 T HN -0.067 nan 8.240 nan 0.000 0.569 517 T N 1.791 116.356 114.554 0.019 0.000 2.829 517 T HA 0.402 4.752 4.350 -0.000 0.000 0.282 517 T C 0.465 175.179 174.700 0.024 0.000 0.990 517 T CA -0.606 61.506 62.100 0.019 0.000 1.028 517 T CB 1.828 70.704 68.868 0.013 0.000 0.951 517 T HN 0.076 nan 8.240 nan 0.000 0.460 518 E N 0.299 120.521 120.200 0.037 0.000 2.541 518 E HA 0.200 4.550 4.350 -0.000 0.000 0.219 518 E C -0.188 176.456 176.600 0.074 0.000 0.922 518 E CA 0.086 56.529 56.400 0.073 0.000 1.095 518 E CB 0.824 30.587 29.700 0.105 0.000 1.112 518 E HN 0.562 nan 8.360 nan 0.000 0.516 519 C N 0.678 119.970 119.300 -0.014 0.000 2.891 519 C HA 0.652 5.112 4.460 -0.000 0.000 0.342 519 C C -1.362 173.534 174.990 -0.156 0.000 1.126 519 C CA -0.582 58.323 59.018 -0.189 0.000 1.322 519 C CB 0.432 28.058 27.740 -0.190 0.000 1.763 519 C HN 0.121 nan 8.230 nan 0.000 0.491 520 M N 5.046 124.524 119.600 -0.202 0.000 2.326 520 M HA 0.620 5.100 4.480 -0.000 0.000 0.306 520 M C -1.099 175.231 176.300 0.050 0.000 1.054 520 M CA -0.590 54.709 55.300 -0.003 0.000 0.922 520 M CB 2.134 34.826 32.600 0.154 0.000 1.632 520 M HN 0.390 nan 8.290 nan 0.000 0.436 521 V N 1.541 121.482 119.914 0.044 0.000 2.531 521 V HA 0.774 4.894 4.120 -0.000 0.000 0.301 521 V C -0.360 175.714 176.094 -0.033 0.000 1.034 521 V CA -0.319 61.990 62.300 0.016 0.000 0.865 521 V CB 2.116 33.926 31.823 -0.020 0.000 0.995 521 V HN 0.963 nan 8.190 nan 0.000 0.424 522 T N 2.394 116.887 114.554 -0.102 0.000 2.762 522 T HA 0.404 4.754 4.350 -0.000 0.000 0.301 522 T C -1.360 173.233 174.700 -0.178 0.000 1.299 522 T CA -0.564 61.411 62.100 -0.209 0.000 1.005 522 T CB 1.830 70.425 68.868 -0.454 0.000 1.377 522 T HN 0.655 nan 8.240 nan 0.000 0.504 523 D N 1.221 121.523 120.400 -0.163 0.000 2.362 523 D HA 0.402 5.042 4.640 -0.000 0.000 0.242 523 D C -0.326 175.903 176.300 -0.118 0.000 1.132 523 D CA -0.169 53.765 54.000 -0.111 0.000 0.907 523 D CB 0.445 41.194 40.800 -0.085 0.000 1.195 523 D HN 0.195 nan 8.370 nan 0.000 0.429 524 L N 3.490 124.674 121.223 -0.065 0.000 2.367 524 L HA 0.305 4.645 4.340 -0.000 0.000 0.275 524 L C -1.579 175.265 176.870 -0.043 0.000 1.129 524 L CA -1.228 53.587 54.840 -0.043 0.000 0.839 524 L CB 0.013 42.064 42.059 -0.014 0.000 1.133 524 L HN 0.418 nan 8.230 nan 0.000 0.453 525 P HA 0.000 nan 4.420 nan 0.000 0.216 525 P CA 0.000 63.082 63.100 -0.031 0.000 0.800 525 P CB 0.000 31.686 31.700 -0.024 0.000 0.726