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 1sx4_1_F DATA FIRST_RESID 2 DATA SEQUENCE AAKDVKFGND ARVKMLRGVN VLADAVKVTL GPKGRNVVLD KSFGAPTITK DATA SEQUENCE DGVSVAREIE LEDKFENMGA QMVKEVASKA NDAAGDGTTT ATVLAQAIIT DATA SEQUENCE EGLKAVAAGM NPMDLKRGID KAVTAAVEEL KALSVPCSDS KAIAQVGTIS DATA SEQUENCE ANSDETVGKL IAEAMDKVGK EGVITVEDGT GLQDELDVVE GMQFDRGYLS DATA SEQUENCE PYFINKPETG AVELESPFIL LADKKISNIR EMLPVLEAVA KAGKPLLIIA DATA SEQUENCE EDVEGEALAT LVVNTMRGIV KVAAVKAPGF GDRRKAMLQD IATLTGGTVI DATA SEQUENCE SEEIGMELEK ATLEDLGQAK RVVINKDTTT IIDGVGEEAA IQGRVAQIRQ DATA SEQUENCE QIEEATSDYD REKLQERVAK LAGGVAVIKV GAATEVEMKE KKARVEDALH DATA SEQUENCE ATRAAVEEGV VAGGGVALIR VASKLADLRG QNEDQNVGIK VALRAMEAPL DATA SEQUENCE RQIVLNCGEE PSVVANTVKG GDGNYGYNAA TEEYGNMIDM GILDPTKVTR DATA SEQUENCE SALQYAASVA GLMITTECMV 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 0.000 177.574 177.584 -0.016 0.000 1.274 2 A CA 0.000 52.027 52.037 -0.017 0.000 0.836 2 A CB 0.000 18.986 19.000 -0.024 0.000 0.831 3 A N 2.125 124.938 122.820 -0.013 0.000 2.498 3 A HA 0.545 4.865 4.320 -0.000 0.000 0.239 3 A C 0.233 177.807 177.584 -0.017 0.000 1.068 3 A CA 0.272 52.303 52.037 -0.009 0.000 0.766 3 A CB -0.007 18.991 19.000 -0.003 0.000 1.003 3 A HN 0.621 nan 8.150 nan 0.000 0.497 4 K N 1.514 121.906 120.400 -0.013 0.000 2.166 4 K HA 0.411 4.731 4.320 -0.000 0.000 0.245 4 K C -1.228 175.371 176.600 -0.001 0.000 0.967 4 K CA -0.692 55.582 56.287 -0.023 0.000 0.863 4 K CB 1.502 33.987 32.500 -0.026 0.000 1.107 4 K HN 0.662 nan 8.250 nan 0.000 0.436 5 D N 1.947 122.347 120.400 0.001 0.000 2.441 5 D HA 0.190 4.830 4.640 -0.000 0.000 0.231 5 D C -0.875 175.524 176.300 0.166 0.000 1.073 5 D CA -0.569 53.485 54.000 0.089 0.000 0.850 5 D CB 0.849 41.720 40.800 0.119 0.000 1.062 5 D HN 0.290 nan 8.370 nan 0.000 0.524 6 V N 1.333 121.287 119.914 0.067 0.000 2.481 6 V HA 0.657 4.777 4.120 -0.000 0.000 0.286 6 V C -0.216 175.765 176.094 -0.188 0.000 1.042 6 V CA -0.482 61.782 62.300 -0.060 0.000 0.928 6 V CB 1.481 33.170 31.823 -0.224 0.000 0.986 6 V HN 0.313 nan 8.190 nan 0.000 0.462 7 K N 3.603 123.812 120.400 -0.318 0.000 2.375 7 K HA 0.716 5.036 4.320 -0.000 0.000 0.249 7 K C -1.591 174.715 176.600 -0.490 0.000 0.942 7 K CA -0.509 55.515 56.287 -0.439 0.000 0.806 7 K CB 2.340 34.431 32.500 -0.681 0.000 1.227 7 K HN 0.727 nan 8.250 nan 0.000 0.430 8 F N 0.073 119.972 119.950 -0.085 0.000 2.575 8 F HA 0.409 4.936 4.527 0.000 0.000 0.330 8 F C 1.363 177.128 175.800 -0.058 0.000 1.056 8 F CA 0.048 58.019 58.000 -0.049 0.000 0.964 8 F CB 1.678 40.660 39.000 -0.030 0.000 1.258 8 F HN 0.806 nan 8.300 nan 0.000 0.484 9 G N 1.738 110.661 108.800 0.204 0.000 2.648 9 G HA2 -0.527 3.433 3.960 -0.000 0.000 0.357 9 G HA3 -0.527 3.433 3.960 -0.000 0.000 0.357 9 G C 0.988 175.908 174.900 0.032 0.000 1.342 9 G CA 1.410 46.563 45.100 0.088 0.000 0.978 9 G HN 0.923 nan 8.290 nan 0.000 0.532 10 N N 0.039 118.750 118.700 0.018 0.000 2.043 10 N HA -0.112 4.628 4.740 -0.000 0.000 0.193 10 N C 1.840 177.336 175.510 -0.024 0.000 1.037 10 N CA 2.273 55.323 53.050 -0.001 0.000 0.851 10 N CB -0.389 38.097 38.487 -0.002 0.000 1.027 10 N HN 0.579 nan 8.380 nan 0.000 0.422 11 D N -0.270 120.110 120.400 -0.033 0.000 2.472 11 D HA -0.292 4.348 4.640 -0.000 0.000 0.194 11 D C 1.798 178.016 176.300 -0.136 0.000 1.023 11 D CA 2.412 56.366 54.000 -0.077 0.000 0.869 11 D CB -0.811 39.947 40.800 -0.069 0.000 0.997 11 D HN 0.503 nan 8.370 nan 0.000 0.463 12 A N -0.034 122.696 122.820 -0.150 0.000 1.902 12 A HA -0.204 4.116 4.320 -0.000 0.000 0.217 12 A C 2.210 179.737 177.584 -0.095 0.000 1.181 12 A CA 1.757 53.671 52.037 -0.205 0.000 0.623 12 A CB -0.428 18.476 19.000 -0.160 0.000 0.818 12 A HN 0.195 nan 8.150 nan 0.000 0.443 13 R N -0.819 119.656 120.500 -0.043 0.000 2.070 13 R HA -0.094 4.246 4.340 -0.000 0.000 0.233 13 R C 2.105 178.396 176.300 -0.014 0.000 1.137 13 R CA 1.490 57.582 56.100 -0.013 0.000 0.945 13 R CB -0.769 29.530 30.300 -0.001 0.000 0.845 13 R HN 0.372 nan 8.270 nan 0.000 0.430 14 V N 2.066 121.965 119.914 -0.025 0.000 2.282 14 V HA -0.329 3.791 4.120 -0.000 0.000 0.249 14 V C 2.338 178.423 176.094 -0.015 0.000 1.057 14 V CA 1.826 64.114 62.300 -0.019 0.000 1.032 14 V CB -0.400 31.408 31.823 -0.026 0.000 0.645 14 V HN 0.312 nan 8.190 nan 0.000 0.447 15 K N -0.625 119.754 120.400 -0.035 0.000 2.009 15 K HA -0.206 4.114 4.320 -0.000 0.000 0.210 15 K C 2.141 178.763 176.600 0.036 0.000 1.049 15 K CA 1.939 58.226 56.287 -0.001 0.000 0.929 15 K CB -0.773 31.713 32.500 -0.023 0.000 0.714 15 K HN 0.435 nan 8.250 nan 0.000 0.440 16 M N 0.816 120.438 119.600 0.037 0.000 2.143 16 M HA -0.219 4.261 4.480 -0.000 0.000 0.258 16 M C 2.090 178.411 176.300 0.035 0.000 1.071 16 M CA 1.406 56.736 55.300 0.051 0.000 1.088 16 M CB -0.077 32.549 32.600 0.043 0.000 1.360 16 M HN 0.100 nan 8.290 nan 0.000 0.404 17 L N 0.312 121.548 121.223 0.022 0.000 2.072 17 L HA -0.115 4.225 4.340 -0.000 0.000 0.205 17 L C 2.217 179.098 176.870 0.018 0.000 1.079 17 L CA 1.728 56.579 54.840 0.018 0.000 0.752 17 L CB -0.613 41.452 42.059 0.011 0.000 0.906 17 L HN 0.212 nan 8.230 nan 0.000 0.436 18 R N -0.302 120.208 120.500 0.018 0.000 2.103 18 R HA -0.162 4.178 4.340 -0.000 0.000 0.242 18 R C 2.198 178.511 176.300 0.022 0.000 1.142 18 R CA 1.335 57.446 56.100 0.019 0.000 0.960 18 R CB -1.243 29.069 30.300 0.020 0.000 0.858 18 R HN 0.584 nan 8.270 nan 0.000 0.439 19 G N 0.903 109.721 108.800 0.030 0.000 2.511 19 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.216 19 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.216 19 G C 1.508 176.421 174.900 0.021 0.000 1.218 19 G CA 1.285 46.403 45.100 0.029 0.000 0.788 19 G HN 0.154 nan 8.290 nan 0.000 0.560 20 V N 1.571 121.498 119.914 0.021 0.000 2.250 20 V HA -0.373 3.747 4.120 -0.000 0.000 0.253 20 V C 2.514 178.616 176.094 0.014 0.000 1.065 20 V CA 2.498 64.808 62.300 0.017 0.000 1.039 20 V CB -1.085 30.748 31.823 0.018 0.000 0.647 20 V HN 0.492 nan 8.190 nan 0.000 0.446 21 N N -0.188 118.520 118.700 0.013 0.000 2.036 21 N HA -0.183 4.557 4.740 -0.000 0.000 0.195 21 N C 1.753 177.268 175.510 0.009 0.000 1.037 21 N CA 1.670 54.726 53.050 0.011 0.000 0.855 21 N CB -0.349 38.144 38.487 0.010 0.000 1.033 21 N HN 0.324 nan 8.380 nan 0.000 0.423 22 V N 1.725 121.645 119.914 0.009 0.000 2.282 22 V HA -0.218 3.902 4.120 -0.000 0.000 0.249 22 V C 2.226 178.323 176.094 0.005 0.000 1.057 22 V CA 1.338 63.642 62.300 0.007 0.000 1.032 22 V CB -0.693 31.134 31.823 0.007 0.000 0.645 22 V HN 0.397 nan 8.190 nan 0.000 0.447 23 L N 1.033 122.260 121.223 0.006 0.000 1.976 23 L HA -0.126 4.214 4.340 -0.000 0.000 0.209 23 L C 2.565 179.437 176.870 0.004 0.000 1.071 23 L CA 2.881 57.724 54.840 0.004 0.000 0.746 23 L CB -1.737 40.325 42.059 0.005 0.000 0.890 23 L HN 0.296 nan 8.230 nan 0.000 0.432 24 A N 0.103 122.927 122.820 0.007 0.000 1.884 24 A HA -0.281 4.039 4.320 -0.000 0.000 0.219 24 A C 1.885 179.473 177.584 0.006 0.000 1.197 24 A CA 2.178 54.219 52.037 0.008 0.000 0.637 24 A CB -0.997 18.009 19.000 0.010 0.000 0.827 24 A HN 0.609 nan 8.150 nan 0.000 0.450 25 D N 0.076 120.479 120.400 0.005 0.000 2.149 25 D HA -0.054 4.586 4.640 -0.000 0.000 0.198 25 D C 2.112 178.413 176.300 0.001 0.000 0.990 25 D CA 1.558 55.560 54.000 0.003 0.000 0.839 25 D CB -0.575 40.227 40.800 0.003 0.000 0.948 25 D HN 0.478 nan 8.370 nan 0.000 0.460 26 A N 0.486 123.306 122.820 0.000 0.000 1.972 26 A HA -0.103 4.217 4.320 -0.000 0.000 0.219 26 A C 2.415 179.998 177.584 -0.002 0.000 1.169 26 A CA 1.054 53.090 52.037 -0.002 0.000 0.635 26 A CB -0.462 18.535 19.000 -0.004 0.000 0.810 26 A HN 0.175 nan 8.150 nan 0.000 0.446 27 V N 0.102 120.016 119.914 0.000 0.000 2.407 27 V HA -0.193 3.927 4.120 -0.000 0.000 0.245 27 V C 2.294 178.389 176.094 0.003 0.000 1.041 27 V CA 1.864 64.165 62.300 0.001 0.000 1.040 27 V CB -0.643 31.182 31.823 0.003 0.000 0.671 27 V HN 0.495 nan 8.190 nan 0.000 0.455 28 K N 0.949 121.352 120.400 0.004 0.000 2.074 28 K HA -0.197 4.123 4.320 -0.000 0.000 0.209 28 K C 2.099 178.702 176.600 0.004 0.000 1.048 28 K CA 1.966 58.256 56.287 0.005 0.000 0.926 28 K CB -0.777 31.726 32.500 0.005 0.000 0.713 28 K HN 0.575 nan 8.250 nan 0.000 0.444 29 V N 0.044 119.959 119.914 0.002 0.000 2.828 29 V HA -0.179 3.941 4.120 -0.000 0.000 0.260 29 V C 2.044 178.140 176.094 0.002 0.000 1.101 29 V CA 2.114 64.415 62.300 0.002 0.000 1.123 29 V CB -1.565 30.258 31.823 -0.000 0.000 0.704 29 V HN 0.397 nan 8.190 nan 0.000 0.493 30 T N -2.326 112.230 114.554 0.002 0.000 3.188 30 T HA 0.348 4.698 4.350 -0.000 0.000 0.250 30 T C 0.231 174.934 174.700 0.004 0.000 1.077 30 T CA -0.251 61.850 62.100 0.002 0.000 0.967 30 T CB -0.158 68.710 68.868 0.001 0.000 1.006 30 T HN 0.346 nan 8.240 nan 0.000 0.552 31 L N 2.266 123.493 121.223 0.007 0.000 2.326 31 L HA 0.677 5.017 4.340 -0.000 0.000 0.278 31 L C 0.663 177.539 176.870 0.010 0.000 1.092 31 L CA 1.207 56.053 54.840 0.009 0.000 0.810 31 L CB 0.110 42.175 42.059 0.012 0.000 1.153 31 L HN 0.631 nan 8.230 nan 0.000 0.439 32 G N 4.680 113.486 108.800 0.009 0.000 2.795 32 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.664 32 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.664 32 G C -2.195 172.707 174.900 0.003 0.000 1.381 32 G CA -0.281 44.824 45.100 0.009 0.000 0.853 32 G HN 0.588 nan 8.290 nan 0.000 0.545 33 P HA -0.033 nan 4.420 nan 0.000 0.217 33 P C 1.108 178.404 177.300 -0.008 0.000 1.151 33 P CA 1.400 64.494 63.100 -0.010 0.000 0.828 33 P CB 0.045 31.731 31.700 -0.024 0.000 0.788 34 K N 0.559 120.957 120.400 -0.002 0.000 2.630 34 K HA 0.175 4.495 4.320 -0.000 0.000 0.204 34 K C 1.185 177.787 176.600 0.004 0.000 1.024 34 K CA -0.326 55.962 56.287 0.002 0.000 1.157 34 K CB -0.427 32.077 32.500 0.008 0.000 0.899 34 K HN 0.117 nan 8.250 nan 0.000 0.501 35 G N 1.116 109.918 108.800 0.003 0.000 2.614 35 G HA2 0.036 3.996 3.960 -0.000 0.000 0.239 35 G HA3 0.036 3.996 3.960 -0.000 0.000 0.239 35 G C -0.152 174.749 174.900 0.001 0.000 1.240 35 G CA -0.337 44.764 45.100 0.003 0.000 0.842 35 G HN 0.253 nan 8.290 nan 0.000 0.584 36 R N 0.217 120.717 120.500 0.000 0.000 2.939 36 R HA 0.355 4.695 4.340 -0.000 0.000 0.254 36 R C -0.551 175.747 176.300 -0.003 0.000 1.123 36 R CA -1.026 55.073 56.100 -0.002 0.000 1.020 36 R CB 1.314 31.613 30.300 -0.002 0.000 1.206 36 R HN 0.489 nan 8.270 nan 0.000 0.491 37 N N -0.112 118.585 118.700 -0.004 0.000 2.472 37 N HA 0.424 5.164 4.740 -0.000 0.000 0.289 37 N C -0.897 174.608 175.510 -0.008 0.000 1.156 37 N CA -0.415 52.632 53.050 -0.006 0.000 0.940 37 N CB 1.959 40.442 38.487 -0.007 0.000 1.200 37 N HN 0.115 nan 8.380 nan 0.000 0.511 38 V N 0.709 120.617 119.914 -0.010 0.000 2.864 38 V HA 0.477 4.597 4.120 -0.000 0.000 0.314 38 V C -0.190 175.893 176.094 -0.019 0.000 1.073 38 V CA -0.811 61.480 62.300 -0.014 0.000 0.956 38 V CB 2.261 34.076 31.823 -0.013 0.000 1.023 38 V HN 0.288 nan 8.190 nan 0.000 0.435 39 V N 4.747 124.646 119.914 -0.024 0.000 2.409 39 V HA 0.505 4.625 4.120 -0.000 0.000 0.291 39 V C -0.488 175.580 176.094 -0.043 0.000 1.020 39 V CA -0.416 61.864 62.300 -0.033 0.000 0.848 39 V CB 1.438 33.242 31.823 -0.032 0.000 0.990 39 V HN 0.619 nan 8.190 nan 0.000 0.430 40 L N 3.721 124.911 121.223 -0.056 0.000 2.313 40 L HA 0.585 4.925 4.340 -0.000 0.000 0.283 40 L C 0.066 176.868 176.870 -0.113 0.000 1.013 40 L CA -0.523 54.273 54.840 -0.074 0.000 0.816 40 L CB 1.498 43.517 42.059 -0.067 0.000 1.236 40 L HN 0.490 nan 8.230 nan 0.000 0.419 41 D N 2.621 122.943 120.400 -0.128 0.000 2.384 41 D HA 0.301 4.941 4.640 -0.000 0.000 0.244 41 D C -0.663 175.454 176.300 -0.305 0.000 1.251 41 D CA 0.037 53.937 54.000 -0.168 0.000 0.961 41 D CB 0.894 41.618 40.800 -0.126 0.000 1.116 41 D HN 0.392 nan 8.370 nan 0.000 0.484 42 K N -0.148 120.016 120.400 -0.393 0.000 2.651 42 K HA 0.145 4.465 4.320 -0.000 0.000 0.259 42 K C 0.734 177.023 176.600 -0.520 0.000 1.017 42 K CA -0.296 55.492 56.287 -0.832 0.000 0.897 42 K CB 1.241 33.166 32.500 -0.958 0.000 1.262 42 K HN 0.308 nan 8.250 nan 0.000 0.460 43 S N 2.943 118.449 115.700 -0.322 0.000 2.383 43 S HA -0.196 4.274 4.470 -0.000 0.000 0.229 43 S C 1.609 176.336 174.600 0.212 0.000 1.030 43 S CA 1.073 59.309 58.200 0.061 0.000 1.002 43 S CB -0.609 62.709 63.200 0.198 0.000 0.829 43 S HN 0.494 nan 8.310 nan 0.000 0.467 44 F N 2.824 122.771 119.950 -0.004 0.000 2.338 44 F HA 0.086 4.613 4.527 -0.000 0.000 0.305 44 F C 2.017 177.815 175.800 -0.003 0.000 1.288 44 F CA 0.488 58.485 58.000 -0.004 0.000 1.280 44 F CB -1.802 37.196 39.000 -0.004 0.000 0.893 44 F HN 0.478 nan 8.300 nan 0.000 0.591 45 G N -1.783 107.120 108.800 0.172 0.000 3.253 45 G HA2 0.588 4.548 3.960 -0.000 0.000 0.175 45 G HA3 0.588 4.548 3.960 -0.000 0.000 0.175 45 G C -0.862 174.041 174.900 0.005 0.000 1.098 45 G CA -0.190 44.953 45.100 0.072 0.000 0.790 45 G HN 0.589 nan 8.290 nan 0.000 0.648 46 A N 0.711 123.534 122.820 0.004 0.000 2.555 46 A HA 0.521 4.841 4.320 -0.000 0.000 0.233 46 A C -1.817 175.734 177.584 -0.055 0.000 1.060 46 A CA -0.126 51.898 52.037 -0.021 0.000 0.759 46 A CB -0.650 18.346 19.000 -0.007 0.000 0.995 46 A HN 0.350 nan 8.150 nan 0.000 0.506 47 P HA 0.259 nan 4.420 nan 0.000 0.274 47 P C -0.111 177.151 177.300 -0.063 0.000 1.264 47 P CA 0.018 63.063 63.100 -0.092 0.000 0.795 47 P CB 0.437 32.093 31.700 -0.073 0.000 1.064 48 T N 0.706 115.221 114.554 -0.065 0.000 2.812 48 T HA 0.555 4.905 4.350 -0.000 0.000 0.282 48 T C -0.276 174.405 174.700 -0.032 0.000 0.990 48 T CA -0.331 61.745 62.100 -0.039 0.000 0.960 48 T CB 0.068 68.911 68.868 -0.041 0.000 0.948 48 T HN 0.112 nan 8.240 nan 0.000 0.438 49 I N 3.045 123.604 120.570 -0.019 0.000 2.321 49 I HA 0.521 4.691 4.170 -0.000 0.000 0.291 49 I C 0.502 176.614 176.117 -0.010 0.000 0.998 49 I CA -0.361 60.930 61.300 -0.015 0.000 1.227 49 I CB 1.638 39.630 38.000 -0.012 0.000 1.368 49 I HN 0.432 nan 8.210 nan 0.000 0.466 50 T N 4.368 118.916 114.554 -0.010 0.000 2.900 50 T HA 0.325 4.675 4.350 -0.000 0.000 0.303 50 T C 0.043 174.740 174.700 -0.005 0.000 1.142 50 T CA -0.612 61.485 62.100 -0.005 0.000 1.007 50 T CB 1.807 70.672 68.868 -0.004 0.000 1.156 50 T HN 0.695 nan 8.240 nan 0.000 0.490 51 K N 1.408 121.807 120.400 -0.002 0.000 2.387 51 K HA 0.202 4.522 4.320 -0.000 0.000 0.203 51 K C -0.490 176.109 176.600 -0.000 0.000 1.030 51 K CA -0.091 56.195 56.287 -0.001 0.000 1.099 51 K CB 0.320 32.821 32.500 0.001 0.000 0.863 51 K HN 0.558 nan 8.250 nan 0.000 0.529 52 D N -0.819 119.580 120.400 -0.001 0.000 2.427 52 D HA 0.172 4.812 4.640 -0.000 0.000 0.226 52 D C 1.157 177.454 176.300 -0.005 0.000 1.076 52 D CA -0.287 53.711 54.000 -0.002 0.000 0.849 52 D CB 1.380 42.179 40.800 -0.002 0.000 1.052 52 D HN 0.140 nan 8.370 nan 0.000 0.515 53 G N 2.569 111.367 108.800 -0.004 0.000 2.513 53 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.219 53 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.219 53 G C 1.490 176.386 174.900 -0.007 0.000 1.160 53 G CA 0.984 46.082 45.100 -0.004 0.000 0.767 53 G HN 0.521 nan 8.290 nan 0.000 0.571 54 V N 0.339 120.245 119.914 -0.013 0.000 2.626 54 V HA -0.106 4.014 4.120 -0.000 0.000 0.252 54 V C 2.836 178.923 176.094 -0.012 0.000 1.067 54 V CA 2.696 64.986 62.300 -0.017 0.000 1.081 54 V CB -0.313 31.493 31.823 -0.029 0.000 0.686 54 V HN 0.332 nan 8.190 nan 0.000 0.468 55 S N -0.274 115.421 115.700 -0.009 0.000 2.356 55 S HA -0.149 4.321 4.470 -0.000 0.000 0.223 55 S C 1.859 176.456 174.600 -0.005 0.000 1.032 55 S CA 1.666 59.864 58.200 -0.003 0.000 1.005 55 S CB -0.166 63.033 63.200 -0.001 0.000 0.867 55 S HN 0.510 nan 8.310 nan 0.000 0.449 56 V N 2.003 121.913 119.914 -0.007 0.000 2.295 56 V HA -0.197 3.923 4.120 -0.000 0.000 0.246 56 V C 2.605 178.694 176.094 -0.008 0.000 1.049 56 V CA 1.703 63.998 62.300 -0.009 0.000 1.024 56 V CB -1.235 30.583 31.823 -0.008 0.000 0.648 56 V HN 0.523 nan 8.190 nan 0.000 0.447 57 A N 0.546 123.362 122.820 -0.007 0.000 1.841 57 A HA -0.248 4.072 4.320 -0.000 0.000 0.216 57 A C 2.252 179.832 177.584 -0.006 0.000 1.199 57 A CA 1.936 53.969 52.037 -0.006 0.000 0.621 57 A CB -0.652 18.343 19.000 -0.007 0.000 0.835 57 A HN 0.479 nan 8.150 nan 0.000 0.445 58 R N -0.170 120.327 120.500 -0.006 0.000 2.267 58 R HA -0.195 4.145 4.340 -0.000 0.000 0.259 58 R C 1.317 177.618 176.300 0.003 0.000 1.192 58 R CA 1.500 57.599 56.100 -0.001 0.000 1.013 58 R CB -0.639 29.663 30.300 0.004 0.000 0.877 58 R HN 0.580 nan 8.270 nan 0.000 0.474 59 E N 0.304 120.503 120.200 -0.002 0.000 2.385 59 E HA 0.069 4.419 4.350 -0.000 0.000 0.194 59 E C 0.682 177.278 176.600 -0.006 0.000 1.013 59 E CA 0.140 56.537 56.400 -0.005 0.000 0.866 59 E CB 0.176 29.866 29.700 -0.017 0.000 0.832 59 E HN 0.164 nan 8.360 nan 0.000 0.500 60 I N 2.185 122.751 120.570 -0.006 0.000 2.396 60 I HA 0.141 4.311 4.170 -0.000 0.000 0.289 60 I C 0.471 176.585 176.117 -0.004 0.000 1.056 60 I CA 0.104 61.401 61.300 -0.005 0.000 1.365 60 I CB 0.279 38.277 38.000 -0.004 0.000 1.407 60 I HN -0.045 nan 8.210 nan 0.000 0.509 61 E N 6.172 126.369 120.200 -0.005 0.000 2.314 61 E HA 0.546 4.896 4.350 -0.000 0.000 0.272 61 E C -1.880 174.717 176.600 -0.005 0.000 0.884 61 E CA -0.661 55.736 56.400 -0.006 0.000 0.753 61 E CB 2.293 31.990 29.700 -0.006 0.000 1.213 61 E HN 0.233 nan 8.360 nan 0.000 0.432 62 L N 2.709 123.929 121.223 -0.005 0.000 2.286 62 L HA 0.326 4.666 4.340 -0.000 0.000 0.265 62 L C 1.153 178.020 176.870 -0.005 0.000 1.012 62 L CA -0.141 54.699 54.840 -0.001 0.000 0.818 62 L CB 1.412 43.475 42.059 0.007 0.000 1.337 62 L HN 0.863 nan 8.230 nan 0.000 0.438 63 E N -0.329 119.871 120.200 0.000 0.000 2.140 63 E HA -0.074 4.276 4.350 -0.000 0.000 0.191 63 E C 0.162 176.761 176.600 -0.002 0.000 0.973 63 E CA 0.155 56.553 56.400 -0.003 0.000 0.829 63 E CB 0.207 29.907 29.700 0.000 0.000 0.781 63 E HN 0.619 nan 8.360 nan 0.000 0.466 64 D N 1.212 121.622 120.400 0.017 0.000 2.363 64 D HA -0.056 4.584 4.640 -0.000 0.000 0.263 64 D C 0.540 176.845 176.300 0.009 0.000 1.258 64 D CA 0.008 54.032 54.000 0.040 0.000 0.907 64 D CB 0.792 41.640 40.800 0.081 0.000 1.107 64 D HN 0.073 nan 8.370 nan 0.000 0.495 65 K N 3.445 123.802 120.400 -0.071 0.000 2.218 65 K HA -0.174 4.146 4.320 -0.000 0.000 0.205 65 K C 1.662 178.119 176.600 -0.239 0.000 1.046 65 K CA 1.041 57.208 56.287 -0.200 0.000 0.933 65 K CB -0.193 32.100 32.500 -0.345 0.000 0.728 65 K HN 0.502 nan 8.250 nan 0.000 0.454 66 F N 1.297 121.236 119.950 -0.019 0.000 2.149 66 F HA -0.012 4.515 4.527 -0.000 0.000 0.294 66 F C 2.352 178.143 175.800 -0.015 0.000 1.095 66 F CA 0.824 58.811 58.000 -0.021 0.000 1.276 66 F CB -0.382 38.603 39.000 -0.024 0.000 1.023 66 F HN 0.061 nan 8.300 nan 0.000 0.480 67 E N 0.031 120.336 120.200 0.174 0.000 2.160 67 E HA -0.256 4.094 4.350 -0.000 0.000 0.195 67 E C 1.811 178.444 176.600 0.055 0.000 0.991 67 E CA 1.248 57.705 56.400 0.094 0.000 0.810 67 E CB -0.263 29.477 29.700 0.068 0.000 0.742 67 E HN 0.286 nan 8.360 nan 0.000 0.466 68 N N 0.494 119.213 118.700 0.030 0.000 2.084 68 N HA -0.148 4.592 4.740 -0.000 0.000 0.190 68 N C 1.710 177.220 175.510 0.001 0.000 1.030 68 N CA 1.301 54.352 53.050 0.002 0.000 0.849 68 N CB 0.006 38.478 38.487 -0.025 0.000 1.012 68 N HN 0.062 nan 8.380 nan 0.000 0.423 69 M N -0.512 119.088 119.600 0.000 0.000 2.108 69 M HA -0.080 4.400 4.480 -0.000 0.000 0.261 69 M C 2.159 178.475 176.300 0.026 0.000 1.066 69 M CA 1.723 57.027 55.300 0.007 0.000 1.107 69 M CB -0.679 31.930 32.600 0.015 0.000 1.356 69 M HN 0.344 nan 8.290 nan 0.000 0.406 70 G N -0.036 108.790 108.800 0.044 0.000 2.491 70 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.218 70 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.218 70 G C 1.583 176.497 174.900 0.023 0.000 1.180 70 G CA 1.181 46.303 45.100 0.037 0.000 0.774 70 G HN 0.566 nan 8.290 nan 0.000 0.562 71 A N -0.503 122.328 122.820 0.019 0.000 1.929 71 A HA 0.027 4.347 4.320 -0.000 0.000 0.216 71 A C 2.339 179.926 177.584 0.006 0.000 1.176 71 A CA 1.647 53.690 52.037 0.011 0.000 0.628 71 A CB -0.238 18.767 19.000 0.009 0.000 0.816 71 A HN 0.321 nan 8.150 nan 0.000 0.444 72 Q N -0.792 119.010 119.800 0.003 0.000 2.369 72 Q HA 0.011 4.351 4.340 -0.000 0.000 0.206 72 Q C 1.922 177.921 176.000 -0.001 0.000 0.963 72 Q CA 0.882 56.683 55.803 -0.003 0.000 0.894 72 Q CB -0.236 28.497 28.738 -0.009 0.000 0.965 72 Q HN 0.769 nan 8.270 nan 0.000 0.475 73 M N -0.302 119.301 119.600 0.005 0.000 2.155 73 M HA -0.108 4.372 4.480 -0.000 0.000 0.258 73 M C 2.266 178.571 176.300 0.009 0.000 1.092 73 M CA 1.098 56.403 55.300 0.008 0.000 1.153 73 M CB -0.499 32.111 32.600 0.015 0.000 1.316 73 M HN 0.010 nan 8.290 nan 0.000 0.431 74 V N -0.047 119.875 119.914 0.013 0.000 2.439 74 V HA -0.297 3.823 4.120 -0.000 0.000 0.253 74 V C 2.142 178.240 176.094 0.006 0.000 1.074 74 V CA 2.153 64.461 62.300 0.014 0.000 1.076 74 V CB -1.531 30.302 31.823 0.015 0.000 0.664 74 V HN 0.541 nan 8.190 nan 0.000 0.461 75 K N 0.779 121.179 120.400 0.001 0.000 2.360 75 K HA -0.253 4.066 4.320 -0.000 0.000 0.201 75 K C 2.096 178.685 176.600 -0.018 0.000 1.046 75 K CA 1.905 58.188 56.287 -0.007 0.000 0.940 75 K CB -0.133 32.362 32.500 -0.007 0.000 0.748 75 K HN 0.713 nan 8.250 nan 0.000 0.465 76 E N 0.609 120.797 120.200 -0.019 0.000 2.478 76 E HA -0.079 4.271 4.350 -0.000 0.000 0.194 76 E C 1.730 178.296 176.600 -0.056 0.000 1.045 76 E CA 0.311 56.687 56.400 -0.041 0.000 0.868 76 E CB 0.317 29.997 29.700 -0.034 0.000 0.885 76 E HN 0.291 nan 8.360 nan 0.000 0.505 77 V N -0.489 119.415 119.914 -0.017 0.000 2.346 77 V HA -0.035 4.085 4.120 -0.000 0.000 0.244 77 V C 2.199 178.282 176.094 -0.019 0.000 1.037 77 V CA 1.717 64.022 62.300 0.009 0.000 1.029 77 V CB -0.308 31.552 31.823 0.062 0.000 0.663 77 V HN 0.247 nan 8.190 nan 0.000 0.454 78 A N 0.083 122.896 122.820 -0.013 0.000 1.940 78 A HA -0.198 4.122 4.320 -0.000 0.000 0.219 78 A C 2.605 180.160 177.584 -0.049 0.000 1.176 78 A CA 2.542 54.569 52.037 -0.017 0.000 0.631 78 A CB -1.134 17.859 19.000 -0.012 0.000 0.814 78 A HN 0.738 nan 8.150 nan 0.000 0.446 79 S N -1.062 114.597 115.700 -0.069 0.000 2.371 79 S HA -0.133 4.337 4.470 -0.000 0.000 0.224 79 S C 2.206 176.717 174.600 -0.149 0.000 1.029 79 S CA 1.491 59.638 58.200 -0.089 0.000 0.978 79 S CB -0.266 62.889 63.200 -0.075 0.000 0.833 79 S HN 0.434 nan 8.310 nan 0.000 0.466 80 K N 1.331 121.583 120.400 -0.246 0.000 2.001 80 K HA 0.065 4.385 4.320 -0.000 0.000 0.208 80 K C 2.389 178.682 176.600 -0.513 0.000 1.048 80 K CA 1.234 57.228 56.287 -0.488 0.000 0.932 80 K CB -1.158 30.865 32.500 -0.795 0.000 0.715 80 K HN 0.397 nan 8.250 nan 0.000 0.437 81 A N 2.147 124.771 122.820 -0.327 0.000 1.969 81 A HA -0.300 4.020 4.320 -0.000 0.000 0.223 81 A C 1.997 179.569 177.584 -0.019 0.000 1.218 81 A CA 2.485 54.535 52.037 0.021 0.000 0.667 81 A CB -0.871 18.173 19.000 0.073 0.000 0.826 81 A HN 0.601 nan 8.150 nan 0.000 0.472 82 N N -1.456 117.195 118.700 -0.082 0.000 2.336 82 N HA -0.117 4.623 4.740 -0.000 0.000 0.177 82 N C 0.723 176.173 175.510 -0.101 0.000 1.018 82 N CA 0.987 53.985 53.050 -0.087 0.000 0.878 82 N CB -0.078 38.357 38.487 -0.086 0.000 0.997 82 N HN 0.392 nan 8.380 nan 0.000 0.433 83 D N 0.681 121.021 120.400 -0.099 0.000 2.264 83 D HA -0.045 4.595 4.640 -0.000 0.000 0.208 83 D C 1.501 177.785 176.300 -0.027 0.000 0.966 83 D CA 0.504 54.464 54.000 -0.068 0.000 0.864 83 D CB 0.092 40.847 40.800 -0.076 0.000 0.933 83 D HN 0.397 nan 8.370 nan 0.000 0.499 84 A N 0.127 122.939 122.820 -0.012 0.000 1.956 84 A HA 0.416 4.736 4.320 -0.000 0.000 0.212 84 A C 1.813 179.445 177.584 0.079 0.000 1.188 84 A CA 1.184 53.266 52.037 0.075 0.000 0.675 84 A CB 0.382 19.513 19.000 0.219 0.000 0.845 84 A HN 0.173 nan 8.150 nan 0.000 0.455 85 A N -2.212 120.634 122.820 0.044 0.000 2.704 85 A HA 0.472 4.792 4.320 -0.000 0.000 0.260 85 A C 1.384 178.942 177.584 -0.043 0.000 1.144 85 A CA 0.912 52.978 52.037 0.048 0.000 0.985 85 A CB -0.679 18.361 19.000 0.067 0.000 1.256 85 A HN 1.743 nan 8.150 nan 0.000 0.598 86 G N 0.190 108.877 108.800 -0.188 0.000 2.449 86 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.304 86 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.304 86 G C -0.126 174.677 174.900 -0.163 0.000 0.962 86 G CA 1.164 46.054 45.100 -0.348 0.000 0.943 86 G HN 0.681 nan 8.290 nan 0.000 0.514 87 D N -2.314 118.054 120.400 -0.053 0.000 2.648 87 D HA 0.501 5.141 4.640 -0.000 0.000 0.244 87 D C 0.765 177.073 176.300 0.013 0.000 1.244 87 D CA 0.784 54.779 54.000 -0.009 0.000 0.772 87 D CB 0.671 41.483 40.800 0.020 0.000 1.379 87 D HN 1.172 nan 8.370 nan 0.000 0.428 88 G N 0.700 109.510 108.800 0.016 0.000 2.143 88 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.249 88 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.249 88 G C 0.973 175.890 174.900 0.030 0.000 0.981 88 G CA 1.543 46.659 45.100 0.026 0.000 0.665 88 G HN 0.755 nan 8.290 nan 0.000 0.528 89 T N -2.574 111.990 114.554 0.017 0.000 2.788 89 T HA -0.098 4.252 4.350 -0.000 0.000 0.268 89 T C 2.228 176.937 174.700 0.015 0.000 1.044 89 T CA 2.455 64.563 62.100 0.013 0.000 1.139 89 T CB -0.548 68.317 68.868 -0.007 0.000 0.867 89 T HN 0.336 nan 8.240 nan 0.000 0.454 90 T N 1.958 116.520 114.554 0.012 0.000 2.777 90 T HA -0.076 4.274 4.350 -0.000 0.000 0.266 90 T C 2.266 176.977 174.700 0.018 0.000 1.040 90 T CA 1.717 63.824 62.100 0.012 0.000 1.141 90 T CB -0.903 67.971 68.868 0.010 0.000 0.868 90 T HN 0.501 nan 8.240 nan 0.000 0.444 91 T N 2.341 116.908 114.554 0.021 0.000 2.622 91 T HA -0.122 4.228 4.350 -0.000 0.000 0.266 91 T C 2.407 177.124 174.700 0.029 0.000 1.047 91 T CA 1.406 63.520 62.100 0.024 0.000 1.159 91 T CB -0.814 68.069 68.868 0.025 0.000 0.863 91 T HN 0.434 nan 8.240 nan 0.000 0.422 92 A N 1.436 124.280 122.820 0.040 0.000 1.881 92 A HA -0.260 4.060 4.320 -0.000 0.000 0.219 92 A C 2.565 180.175 177.584 0.042 0.000 1.215 92 A CA 2.742 54.812 52.037 0.054 0.000 0.648 92 A CB -1.630 17.419 19.000 0.082 0.000 0.832 92 A HN 0.509 nan 8.150 nan 0.000 0.455 93 T N -0.422 114.151 114.554 0.032 0.000 2.665 93 T HA -0.173 4.177 4.350 -0.000 0.000 0.268 93 T C 1.852 176.565 174.700 0.022 0.000 1.035 93 T CA 1.793 63.907 62.100 0.024 0.000 1.151 93 T CB -0.582 68.296 68.868 0.016 0.000 0.862 93 T HN 0.188 nan 8.240 nan 0.000 0.438 94 V N 1.161 121.087 119.914 0.020 0.000 2.407 94 V HA -0.118 4.002 4.120 -0.000 0.000 0.248 94 V C 2.439 178.544 176.094 0.018 0.000 1.055 94 V CA 1.452 63.762 62.300 0.017 0.000 1.049 94 V CB -0.608 31.224 31.823 0.016 0.000 0.662 94 V HN 0.437 nan 8.190 nan 0.000 0.455 95 L N -0.351 120.885 121.223 0.022 0.000 2.141 95 L HA -0.095 4.245 4.340 -0.000 0.000 0.209 95 L C 2.607 179.490 176.870 0.022 0.000 1.094 95 L CA 1.336 56.188 54.840 0.021 0.000 0.763 95 L CB -0.599 41.473 42.059 0.022 0.000 0.908 95 L HN 0.356 nan 8.230 nan 0.000 0.437 96 A N 0.113 122.948 122.820 0.026 0.000 1.855 96 A HA -0.242 4.078 4.320 -0.000 0.000 0.213 96 A C 2.173 179.770 177.584 0.021 0.000 1.195 96 A CA 1.325 53.378 52.037 0.027 0.000 0.610 96 A CB -0.628 18.392 19.000 0.033 0.000 0.837 96 A HN 0.464 nan 8.150 nan 0.000 0.444 97 Q N 0.246 120.058 119.800 0.019 0.000 2.242 97 Q HA -0.174 4.166 4.340 -0.000 0.000 0.211 97 Q C 1.686 177.695 176.000 0.014 0.000 0.992 97 Q CA 2.776 58.589 55.803 0.016 0.000 0.889 97 Q CB -0.477 28.269 28.738 0.014 0.000 0.913 97 Q HN 0.534 nan 8.270 nan 0.000 0.422 98 A N 0.132 122.961 122.820 0.014 0.000 1.911 98 A HA 0.119 4.439 4.320 -0.000 0.000 0.212 98 A C 2.075 179.666 177.584 0.012 0.000 1.189 98 A CA 0.775 52.820 52.037 0.012 0.000 0.639 98 A CB -0.326 18.681 19.000 0.012 0.000 0.839 98 A HN 0.429 nan 8.150 nan 0.000 0.449 99 I N 0.047 120.626 120.570 0.014 0.000 2.179 99 I HA -0.273 3.897 4.170 -0.000 0.000 0.242 99 I C 2.284 178.409 176.117 0.014 0.000 1.088 99 I CA 1.440 62.748 61.300 0.014 0.000 1.357 99 I CB -0.450 37.559 38.000 0.016 0.000 1.051 99 I HN 0.279 nan 8.210 nan 0.000 0.409 100 I N 0.448 121.027 120.570 0.016 0.000 2.163 100 I HA -0.305 3.865 4.170 -0.000 0.000 0.243 100 I C 2.601 178.725 176.117 0.013 0.000 1.085 100 I CA 1.680 62.989 61.300 0.016 0.000 1.347 100 I CB -0.738 37.273 38.000 0.017 0.000 1.044 100 I HN 0.264 nan 8.210 nan 0.000 0.408 101 T N 0.210 114.771 114.554 0.012 0.000 2.555 101 T HA -0.217 4.133 4.350 -0.000 0.000 0.264 101 T C 1.850 176.555 174.700 0.008 0.000 1.083 101 T CA 1.530 63.636 62.100 0.009 0.000 1.179 101 T CB -0.304 68.569 68.868 0.008 0.000 0.863 101 T HN 0.258 nan 8.240 nan 0.000 0.412 102 E N 0.732 120.937 120.200 0.008 0.000 2.065 102 E HA -0.130 4.220 4.350 -0.000 0.000 0.201 102 E C 2.508 179.112 176.600 0.008 0.000 1.016 102 E CA 1.630 58.035 56.400 0.007 0.000 0.818 102 E CB -1.181 28.523 29.700 0.007 0.000 0.749 102 E HN 0.571 nan 8.360 nan 0.000 0.453 103 G N 1.186 109.991 108.800 0.009 0.000 2.491 103 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.218 103 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.218 103 G C 1.747 176.653 174.900 0.009 0.000 1.180 103 G CA 1.052 46.158 45.100 0.010 0.000 0.774 103 G HN 0.247 nan 8.290 nan 0.000 0.562 104 L N 0.185 121.414 121.223 0.010 0.000 2.131 104 L HA -0.061 4.279 4.340 -0.000 0.000 0.210 104 L C 2.796 179.670 176.870 0.007 0.000 1.092 104 L CA 1.470 56.316 54.840 0.009 0.000 0.759 104 L CB -0.351 41.714 42.059 0.009 0.000 0.903 104 L HN 0.281 nan 8.230 nan 0.000 0.435 105 K N 0.565 120.969 120.400 0.006 0.000 2.148 105 K HA -0.132 4.187 4.320 -0.000 0.000 0.204 105 K C 2.045 178.648 176.600 0.004 0.000 1.050 105 K CA 1.198 57.488 56.287 0.004 0.000 0.942 105 K CB 0.015 32.518 32.500 0.004 0.000 0.724 105 K HN 0.264 nan 8.250 nan 0.000 0.446 106 A N 0.273 123.096 122.820 0.005 0.000 2.067 106 A HA 0.010 4.330 4.320 -0.000 0.000 0.217 106 A C 2.005 179.593 177.584 0.005 0.000 1.156 106 A CA 0.678 52.718 52.037 0.005 0.000 0.683 106 A CB -0.091 18.913 19.000 0.005 0.000 0.808 106 A HN 0.142 nan 8.150 nan 0.000 0.455 107 V N -0.077 119.841 119.914 0.007 0.000 2.358 107 V HA -0.210 3.910 4.120 -0.000 0.000 0.246 107 V C 3.006 179.103 176.094 0.006 0.000 1.047 107 V CA 1.721 64.026 62.300 0.007 0.000 1.035 107 V CB -1.158 30.671 31.823 0.010 0.000 0.658 107 V HN 0.563 nan 8.190 nan 0.000 0.452 108 A N 0.246 123.069 122.820 0.005 0.000 1.978 108 A HA -0.119 4.201 4.320 -0.000 0.000 0.220 108 A C 2.343 179.928 177.584 0.001 0.000 1.170 108 A CA 1.907 53.946 52.037 0.003 0.000 0.636 108 A CB -0.641 18.360 19.000 0.002 0.000 0.810 108 A HN 0.589 nan 8.150 nan 0.000 0.448 109 A N -1.849 120.972 122.820 0.002 0.000 2.121 109 A HA 0.345 4.665 4.320 -0.000 0.000 0.218 109 A C 1.856 179.440 177.584 0.001 0.000 1.154 109 A CA 1.517 53.555 52.037 0.001 0.000 0.679 109 A CB -0.811 18.190 19.000 0.001 0.000 0.795 109 A HN 1.933 nan 8.150 nan 0.000 0.458 110 G N -2.275 106.526 108.800 0.001 0.000 2.138 110 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.193 110 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.193 110 G C 0.095 174.996 174.900 0.002 0.000 0.998 110 G CA 0.130 45.230 45.100 0.001 0.000 0.668 110 G HN 0.352 nan 8.290 nan 0.000 0.516 111 M N 0.371 119.973 119.600 0.003 0.000 2.202 111 M HA 0.329 4.809 4.480 -0.000 0.000 0.316 111 M C 0.753 177.056 176.300 0.005 0.000 1.138 111 M CA -0.472 54.830 55.300 0.004 0.000 1.151 111 M CB 0.417 33.019 32.600 0.004 0.000 1.422 111 M HN 0.223 nan 8.290 nan 0.000 0.471 112 N N 1.607 120.310 118.700 0.006 0.000 2.420 112 N HA 0.253 4.993 4.740 -0.000 0.000 0.249 112 N C -2.356 173.159 175.510 0.009 0.000 1.033 112 N CA -2.059 50.995 53.050 0.007 0.000 0.944 112 N CB 0.994 39.485 38.487 0.006 0.000 1.113 112 N HN 0.150 nan 8.380 nan 0.000 0.502 113 P HA -0.130 nan 4.420 nan 0.000 0.218 113 P C 1.532 178.839 177.300 0.013 0.000 1.148 113 P CA 1.056 64.163 63.100 0.013 0.000 0.822 113 P CB 0.159 31.869 31.700 0.016 0.000 0.784 114 M N -0.605 119.003 119.600 0.013 0.000 2.213 114 M HA -0.132 4.348 4.480 -0.000 0.000 0.263 114 M C 1.229 177.535 176.300 0.010 0.000 1.062 114 M CA 1.648 56.956 55.300 0.012 0.000 1.105 114 M CB -1.381 31.226 32.600 0.012 0.000 1.385 114 M HN -0.040 nan 8.290 nan 0.000 0.417 115 D N -0.128 120.278 120.400 0.009 0.000 2.194 115 D HA -0.005 4.635 4.640 -0.000 0.000 0.204 115 D C 2.222 178.526 176.300 0.007 0.000 0.964 115 D CA 0.630 54.635 54.000 0.007 0.000 0.846 115 D CB 0.012 40.815 40.800 0.006 0.000 0.962 115 D HN 0.306 nan 8.370 nan 0.000 0.490 116 L N 0.828 122.056 121.223 0.008 0.000 2.012 116 L HA -0.216 4.124 4.340 -0.000 0.000 0.210 116 L C 2.509 179.384 176.870 0.009 0.000 1.073 116 L CA 1.279 56.124 54.840 0.008 0.000 0.748 116 L CB -0.340 41.725 42.059 0.009 0.000 0.891 116 L HN 0.021 nan 8.230 nan 0.000 0.431 117 K N 0.372 120.779 120.400 0.010 0.000 1.991 117 K HA -0.217 4.103 4.320 -0.000 0.000 0.212 117 K C 2.242 178.848 176.600 0.009 0.000 1.049 117 K CA 1.533 57.826 56.287 0.011 0.000 0.932 117 K CB -0.104 32.404 32.500 0.013 0.000 0.717 117 K HN 0.132 nan 8.250 nan 0.000 0.441 118 R N -0.234 120.271 120.500 0.008 0.000 2.140 118 R HA -0.177 4.163 4.340 -0.000 0.000 0.250 118 R C 2.497 178.800 176.300 0.005 0.000 1.150 118 R CA 1.640 57.743 56.100 0.006 0.000 0.966 118 R CB -0.967 29.336 30.300 0.006 0.000 0.869 118 R HN 0.513 nan 8.270 nan 0.000 0.445 119 G N 1.426 110.229 108.800 0.005 0.000 2.433 119 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.216 119 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.216 119 G C 1.518 176.420 174.900 0.003 0.000 1.186 119 G CA 0.726 45.828 45.100 0.004 0.000 0.779 119 G HN 0.179 nan 8.290 nan 0.000 0.543 120 I N 1.109 121.682 120.570 0.005 0.000 2.163 120 I HA -0.180 3.990 4.170 -0.000 0.000 0.243 120 I C 2.379 178.497 176.117 0.002 0.000 1.085 120 I CA 1.528 62.830 61.300 0.005 0.000 1.347 120 I CB -0.109 37.895 38.000 0.007 0.000 1.044 120 I HN 0.096 nan 8.210 nan 0.000 0.408 121 D N 0.474 120.875 120.400 0.003 0.000 2.097 121 D HA -0.200 4.440 4.640 -0.000 0.000 0.197 121 D C 2.055 178.353 176.300 -0.003 0.000 0.984 121 D CA 1.097 55.097 54.000 -0.001 0.000 0.826 121 D CB -0.295 40.506 40.800 0.001 0.000 0.973 121 D HN 0.298 nan 8.370 nan 0.000 0.460 122 K N 1.202 121.601 120.400 -0.001 0.000 2.044 122 K HA -0.199 4.121 4.320 -0.000 0.000 0.210 122 K C 2.108 178.706 176.600 -0.003 0.000 1.049 122 K CA 1.608 57.894 56.287 -0.002 0.000 0.927 122 K CB -0.138 32.362 32.500 -0.000 0.000 0.713 122 K HN 0.003 nan 8.250 nan 0.000 0.443 123 A N 0.660 123.479 122.820 -0.002 0.000 1.915 123 A HA -0.206 4.114 4.320 -0.000 0.000 0.220 123 A C 2.299 179.880 177.584 -0.005 0.000 1.198 123 A CA 2.275 54.311 52.037 -0.002 0.000 0.647 123 A CB -0.925 18.075 19.000 -0.000 0.000 0.825 123 A HN 0.233 nan 8.150 nan 0.000 0.456 124 V N -0.442 119.467 119.914 -0.008 0.000 2.379 124 V HA -0.191 3.929 4.120 -0.000 0.000 0.245 124 V C 2.727 178.810 176.094 -0.019 0.000 1.044 124 V CA 2.336 64.627 62.300 -0.015 0.000 1.036 124 V CB -1.222 30.589 31.823 -0.019 0.000 0.664 124 V HN 0.664 nan 8.190 nan 0.000 0.453 125 T N 0.679 115.223 114.554 -0.016 0.000 2.737 125 T HA -0.223 4.127 4.350 -0.000 0.000 0.269 125 T C 2.006 176.698 174.700 -0.014 0.000 1.040 125 T CA 1.650 63.740 62.100 -0.017 0.000 1.142 125 T CB -0.429 68.432 68.868 -0.012 0.000 0.861 125 T HN 0.566 nan 8.240 nan 0.000 0.456 126 A N 1.492 124.307 122.820 -0.010 0.000 1.873 126 A HA 0.278 4.598 4.320 -0.000 0.000 0.215 126 A C 2.715 180.295 177.584 -0.007 0.000 1.186 126 A CA 1.623 53.657 52.037 -0.007 0.000 0.616 126 A CB -1.185 17.813 19.000 -0.004 0.000 0.823 126 A HN 0.509 nan 8.150 nan 0.000 0.442 127 A N -0.504 122.311 122.820 -0.009 0.000 1.908 127 A HA -0.036 4.284 4.320 -0.000 0.000 0.218 127 A C 2.219 179.796 177.584 -0.012 0.000 1.181 127 A CA 1.877 53.909 52.037 -0.008 0.000 0.627 127 A CB -0.958 18.037 19.000 -0.009 0.000 0.818 127 A HN 0.398 nan 8.150 nan 0.000 0.445 128 V N -0.065 119.837 119.914 -0.019 0.000 2.407 128 V HA -0.204 3.916 4.120 -0.000 0.000 0.248 128 V C 2.623 178.707 176.094 -0.016 0.000 1.055 128 V CA 2.194 64.480 62.300 -0.023 0.000 1.049 128 V CB -0.718 31.084 31.823 -0.035 0.000 0.662 128 V HN 0.474 nan 8.190 nan 0.000 0.455 129 E N 0.011 120.204 120.200 -0.012 0.000 2.038 129 E HA -0.187 4.163 4.350 -0.000 0.000 0.195 129 E C 2.306 178.903 176.600 -0.004 0.000 1.000 129 E CA 1.105 57.500 56.400 -0.007 0.000 0.803 129 E CB -0.425 29.271 29.700 -0.006 0.000 0.750 129 E HN 0.493 nan 8.360 nan 0.000 0.448 130 E N 0.494 120.692 120.200 -0.003 0.000 2.048 130 E HA -0.208 4.142 4.350 -0.000 0.000 0.202 130 E C 2.402 179.002 176.600 0.002 0.000 1.021 130 E CA 0.894 57.295 56.400 0.000 0.000 0.825 130 E CB -0.611 29.090 29.700 0.001 0.000 0.756 130 E HN 0.269 nan 8.360 nan 0.000 0.454 131 L N 0.672 121.894 121.223 -0.001 0.000 1.997 131 L HA -0.258 4.082 4.340 -0.000 0.000 0.216 131 L C 2.492 179.362 176.870 0.000 0.000 1.074 131 L CA 1.713 56.553 54.840 -0.000 0.000 0.763 131 L CB -0.458 41.598 42.059 -0.005 0.000 0.890 131 L HN 0.101 nan 8.230 nan 0.000 0.434 132 K N -0.359 120.040 120.400 -0.003 0.000 2.280 132 K HA -0.130 4.190 4.320 -0.000 0.000 0.202 132 K C 2.044 178.645 176.600 0.002 0.000 1.047 132 K CA 1.113 57.399 56.287 -0.001 0.000 0.942 132 K CB -0.174 32.325 32.500 -0.003 0.000 0.739 132 K HN 0.359 nan 8.250 nan 0.000 0.457 133 A N 0.564 123.386 122.820 0.003 0.000 1.975 133 A HA -0.022 4.298 4.320 -0.000 0.000 0.215 133 A C 1.915 179.503 177.584 0.007 0.000 1.170 133 A CA 0.700 52.740 52.037 0.004 0.000 0.656 133 A CB -0.104 18.898 19.000 0.004 0.000 0.821 133 A HN 0.090 nan 8.150 nan 0.000 0.449 134 L N -0.193 121.035 121.223 0.008 0.000 2.179 134 L HA 0.092 4.432 4.340 -0.000 0.000 0.208 134 L C 1.491 178.368 176.870 0.012 0.000 1.096 134 L CA 0.860 55.707 54.840 0.012 0.000 0.779 134 L CB -0.455 41.613 42.059 0.014 0.000 0.922 134 L HN 0.245 nan 8.230 nan 0.000 0.443 135 S N -0.264 115.441 115.700 0.009 0.000 2.575 135 S HA 0.195 4.665 4.470 -0.000 0.000 0.295 135 S C -0.220 174.386 174.600 0.009 0.000 1.267 135 S CA -0.262 57.944 58.200 0.009 0.000 1.074 135 S CB -0.120 63.084 63.200 0.007 0.000 0.829 135 S HN 0.131 nan 8.310 nan 0.000 0.497 136 V N 4.243 124.163 119.914 0.010 0.000 2.715 136 V HA 0.739 4.859 4.120 -0.000 0.000 0.310 136 V C -2.741 173.358 176.094 0.009 0.000 1.054 136 V CA -2.841 59.464 62.300 0.010 0.000 0.928 136 V CB 1.163 32.992 31.823 0.011 0.000 1.007 136 V HN 0.584 nan 8.190 nan 0.000 0.437 137 P HA 0.232 nan 4.420 nan 0.000 0.268 137 P C -0.593 176.711 177.300 0.008 0.000 1.205 137 P CA -0.073 63.032 63.100 0.007 0.000 0.771 137 P CB 0.484 32.188 31.700 0.006 0.000 0.858 138 C N 3.192 122.497 119.300 0.008 0.000 2.264 138 C HA 0.603 5.063 4.460 -0.000 0.000 0.322 138 C C 1.135 176.128 174.990 0.006 0.000 1.210 138 C CA 0.514 59.536 59.018 0.008 0.000 1.539 138 C CB -0.950 26.796 27.740 0.009 0.000 2.167 138 C HN 0.689 nan 8.230 nan 0.000 0.463 139 S N 2.130 117.833 115.700 0.005 0.000 2.661 139 S HA 0.184 4.654 4.470 -0.000 0.000 0.275 139 S C -0.239 174.363 174.600 0.003 0.000 1.075 139 S CA 0.156 58.358 58.200 0.004 0.000 1.251 139 S CB -0.375 62.827 63.200 0.003 0.000 1.167 139 S HN 0.856 nan 8.310 nan 0.000 0.648 140 D N 1.442 121.844 120.400 0.003 0.000 2.354 140 D HA 0.504 5.144 4.640 -0.000 0.000 0.247 140 D C 0.984 177.285 176.300 0.002 0.000 1.138 140 D CA -0.389 53.612 54.000 0.002 0.000 0.958 140 D CB 0.781 41.583 40.800 0.002 0.000 1.144 140 D HN -0.056 nan 8.370 nan 0.000 0.458 141 S N -0.426 115.274 115.700 0.001 0.000 2.399 141 S HA -0.187 4.283 4.470 -0.000 0.000 0.231 141 S C 1.563 176.163 174.600 0.001 0.000 1.022 141 S CA 1.222 59.423 58.200 0.000 0.000 0.983 141 S CB -0.360 62.840 63.200 -0.001 0.000 0.803 141 S HN 0.636 nan 8.310 nan 0.000 0.480 142 K N 1.168 121.569 120.400 0.001 0.000 2.026 142 K HA -0.077 4.243 4.320 -0.000 0.000 0.208 142 K C 2.150 178.751 176.600 0.002 0.000 1.048 142 K CA 1.323 57.610 56.287 0.001 0.000 0.929 142 K CB -0.385 32.115 32.500 0.001 0.000 0.713 142 K HN 0.284 nan 8.250 nan 0.000 0.439 143 A N 1.706 124.528 122.820 0.003 0.000 1.855 143 A HA -0.112 4.208 4.320 -0.000 0.000 0.215 143 A C 2.135 179.722 177.584 0.005 0.000 1.191 143 A CA 1.501 53.541 52.037 0.004 0.000 0.613 143 A CB -0.668 18.335 19.000 0.005 0.000 0.829 143 A HN 0.369 nan 8.150 nan 0.000 0.442 144 I N -0.043 120.529 120.570 0.004 0.000 2.143 144 I HA -0.407 3.763 4.170 -0.000 0.000 0.245 144 I C 2.960 179.079 176.117 0.004 0.000 1.068 144 I CA 1.572 62.875 61.300 0.004 0.000 1.326 144 I CB -0.569 37.432 38.000 0.002 0.000 1.028 144 I HN 0.410 nan 8.210 nan 0.000 0.412 145 A N -0.098 122.723 122.820 0.002 0.000 1.978 145 A HA -0.265 4.055 4.320 -0.000 0.000 0.220 145 A C 2.203 179.788 177.584 0.002 0.000 1.170 145 A CA 1.669 53.707 52.037 0.001 0.000 0.636 145 A CB -0.579 18.421 19.000 -0.000 0.000 0.810 145 A HN 0.527 nan 8.150 nan 0.000 0.448 146 Q N -0.704 119.097 119.800 0.002 0.000 2.119 146 Q HA -0.091 4.249 4.340 -0.000 0.000 0.201 146 Q C 2.250 178.252 176.000 0.004 0.000 0.972 146 Q CA 1.670 57.473 55.803 0.001 0.000 0.847 146 Q CB -0.386 28.352 28.738 0.001 0.000 0.903 146 Q HN 0.730 nan 8.270 nan 0.000 0.433 147 V N -1.335 118.583 119.914 0.007 0.000 2.323 147 V HA -0.026 4.094 4.120 -0.000 0.000 0.244 147 V C 1.922 178.024 176.094 0.014 0.000 1.041 147 V CA 2.090 64.397 62.300 0.012 0.000 1.025 147 V CB -1.233 30.599 31.823 0.016 0.000 0.656 147 V HN 0.334 nan 8.190 nan 0.000 0.451 148 G N 0.279 109.086 108.800 0.012 0.000 2.631 148 G HA2 -0.346 3.614 3.960 -0.000 0.000 0.219 148 G HA3 -0.346 3.614 3.960 -0.000 0.000 0.219 148 G C 1.624 176.530 174.900 0.010 0.000 1.214 148 G CA 2.104 47.212 45.100 0.013 0.000 0.785 148 G HN 0.512 nan 8.290 nan 0.000 0.596 149 T N 0.812 115.369 114.554 0.005 0.000 2.699 149 T HA -0.155 4.195 4.350 -0.000 0.000 0.268 149 T C 2.345 177.046 174.700 0.001 0.000 1.036 149 T CA 1.355 63.456 62.100 0.002 0.000 1.147 149 T CB -0.178 68.689 68.868 -0.002 0.000 0.862 149 T HN 0.163 nan 8.240 nan 0.000 0.446 150 I N 0.485 121.056 120.570 0.002 0.000 2.353 150 I HA -0.079 4.091 4.170 -0.000 0.000 0.248 150 I C 2.601 178.722 176.117 0.006 0.000 1.119 150 I CA 0.859 62.159 61.300 0.000 0.000 1.417 150 I CB -0.294 37.706 38.000 -0.000 0.000 1.078 150 I HN 0.122 nan 8.210 nan 0.000 0.421 151 S N 0.291 115.999 115.700 0.013 0.000 2.382 151 S HA -0.041 4.429 4.470 -0.000 0.000 0.228 151 S C 1.746 176.356 174.600 0.017 0.000 1.027 151 S CA 0.999 59.211 58.200 0.019 0.000 0.991 151 S CB -0.337 62.881 63.200 0.030 0.000 0.823 151 S HN 0.450 nan 8.310 nan 0.000 0.469 152 A N 1.307 124.135 122.820 0.014 0.000 2.840 152 A HA 0.357 4.677 4.320 -0.000 0.000 0.269 152 A C 0.619 178.206 177.584 0.006 0.000 1.439 152 A CA 0.001 52.045 52.037 0.012 0.000 1.083 152 A CB -1.458 17.549 19.000 0.012 0.000 1.019 152 A HN 0.767 nan 8.150 nan 0.000 0.607 153 N N 0.256 118.958 118.700 0.004 0.000 2.701 153 N HA -0.260 4.480 4.740 -0.000 0.000 0.250 153 N C -0.086 175.420 175.510 -0.006 0.000 1.046 153 N CA 0.552 53.601 53.050 -0.001 0.000 0.733 153 N CB -0.617 37.869 38.487 -0.000 0.000 0.973 153 N HN 0.530 nan 8.380 nan 0.000 0.541 154 S N -1.079 114.617 115.700 -0.007 0.000 3.672 154 S HA -0.153 4.317 4.470 -0.000 0.000 0.294 154 S C -0.750 173.844 174.600 -0.009 0.000 1.200 154 S CA 0.552 58.745 58.200 -0.011 0.000 0.837 154 S CB -0.858 62.331 63.200 -0.019 0.000 0.972 154 S HN 0.605 nan 8.310 nan 0.000 0.583 155 D N 1.460 121.858 120.400 -0.004 0.000 2.485 155 D HA 0.291 4.931 4.640 -0.000 0.000 0.221 155 D C 1.170 177.468 176.300 -0.003 0.000 1.112 155 D CA -0.353 53.645 54.000 -0.003 0.000 0.911 155 D CB 0.502 41.302 40.800 0.000 0.000 1.019 155 D HN 0.413 nan 8.370 nan 0.000 0.516 156 E N 0.789 120.986 120.200 -0.005 0.000 2.219 156 E HA -0.157 4.193 4.350 -0.000 0.000 0.198 156 E C 1.221 177.819 176.600 -0.003 0.000 0.998 156 E CA 1.248 57.645 56.400 -0.005 0.000 0.818 156 E CB 0.339 30.035 29.700 -0.007 0.000 0.741 156 E HN 0.481 nan 8.360 nan 0.000 0.477 157 T N 0.360 114.912 114.554 -0.002 0.000 2.857 157 T HA -0.079 4.271 4.350 -0.000 0.000 0.266 157 T C 2.184 176.884 174.700 -0.000 0.000 1.048 157 T CA 0.872 62.971 62.100 -0.001 0.000 1.139 157 T CB -0.186 68.681 68.868 -0.001 0.000 0.874 157 T HN -0.013 nan 8.240 nan 0.000 0.455 158 V N 1.918 121.833 119.914 0.001 0.000 2.261 158 V HA -0.073 4.047 4.120 -0.000 0.000 0.246 158 V C 2.975 179.071 176.094 0.003 0.000 1.047 158 V CA 1.936 64.238 62.300 0.003 0.000 1.015 158 V CB -1.599 30.227 31.823 0.006 0.000 0.642 158 V HN 0.573 nan 8.190 nan 0.000 0.446 159 G N -0.279 108.523 108.800 0.002 0.000 2.513 159 G HA2 -0.361 3.599 3.960 -0.000 0.000 0.219 159 G HA3 -0.361 3.599 3.960 -0.000 0.000 0.219 159 G C 1.673 176.573 174.900 0.000 0.000 1.160 159 G CA 1.343 46.445 45.100 0.002 0.000 0.767 159 G HN 0.468 nan 8.290 nan 0.000 0.571 160 K N -0.499 119.901 120.400 -0.001 0.000 2.026 160 K HA -0.012 4.308 4.320 -0.000 0.000 0.208 160 K C 2.530 179.129 176.600 -0.002 0.000 1.048 160 K CA 0.988 57.274 56.287 -0.001 0.000 0.929 160 K CB -0.269 32.230 32.500 -0.002 0.000 0.713 160 K HN 0.250 nan 8.250 nan 0.000 0.439 161 L N 1.553 122.775 121.223 -0.001 0.000 2.046 161 L HA -0.123 4.217 4.340 -0.000 0.000 0.208 161 L C 2.154 179.022 176.870 -0.003 0.000 1.077 161 L CA 1.361 56.200 54.840 -0.002 0.000 0.747 161 L CB -0.349 41.709 42.059 -0.001 0.000 0.896 161 L HN 0.210 nan 8.230 nan 0.000 0.432 162 I N -1.081 119.488 120.570 -0.003 0.000 2.127 162 I HA -0.363 3.807 4.170 -0.000 0.000 0.241 162 I C 2.571 178.685 176.117 -0.005 0.000 1.075 162 I CA 1.365 62.662 61.300 -0.005 0.000 1.334 162 I CB -0.583 37.415 38.000 -0.003 0.000 1.040 162 I HN 0.285 nan 8.210 nan 0.000 0.405 163 A N 0.054 122.872 122.820 -0.003 0.000 1.892 163 A HA -0.280 4.040 4.320 -0.000 0.000 0.218 163 A C 2.275 179.857 177.584 -0.004 0.000 1.188 163 A CA 1.955 53.990 52.037 -0.003 0.000 0.631 163 A CB -0.710 18.289 19.000 -0.001 0.000 0.822 163 A HN 0.461 nan 8.150 nan 0.000 0.447 164 E N -0.626 119.572 120.200 -0.004 0.000 2.058 164 E HA -0.165 4.185 4.350 -0.000 0.000 0.194 164 E C 2.392 178.989 176.600 -0.005 0.000 0.997 164 E CA 1.049 57.447 56.400 -0.004 0.000 0.801 164 E CB -0.249 29.449 29.700 -0.004 0.000 0.746 164 E HN 0.612 nan 8.360 nan 0.000 0.450 165 A N 1.279 124.095 122.820 -0.006 0.000 1.855 165 A HA -0.183 4.137 4.320 -0.000 0.000 0.215 165 A C 2.185 179.764 177.584 -0.009 0.000 1.191 165 A CA 1.382 53.414 52.037 -0.008 0.000 0.613 165 A CB -0.527 18.466 19.000 -0.010 0.000 0.829 165 A HN 0.173 nan 8.150 nan 0.000 0.442 166 M N -0.640 118.954 119.600 -0.010 0.000 2.192 166 M HA -0.247 4.233 4.480 -0.000 0.000 0.256 166 M C 1.755 178.050 176.300 -0.007 0.000 1.076 166 M CA 2.214 57.508 55.300 -0.010 0.000 1.075 166 M CB -0.830 31.765 32.600 -0.008 0.000 1.368 166 M HN 0.533 nan 8.290 nan 0.000 0.406 167 D N 0.086 120.483 120.400 -0.006 0.000 2.137 167 D HA -0.080 4.560 4.640 -0.000 0.000 0.202 167 D C 1.853 178.150 176.300 -0.005 0.000 0.970 167 D CA 1.284 55.281 54.000 -0.005 0.000 0.837 167 D CB 0.260 41.058 40.800 -0.004 0.000 0.981 167 D HN 0.216 nan 8.370 nan 0.000 0.475 168 K N -0.429 119.968 120.400 -0.005 0.000 2.067 168 K HA 0.013 4.333 4.320 -0.000 0.000 0.203 168 K C 2.046 178.643 176.600 -0.005 0.000 1.048 168 K CA 1.013 57.297 56.287 -0.005 0.000 0.954 168 K CB 0.046 32.543 32.500 -0.005 0.000 0.737 168 K HN 0.109 nan 8.250 nan 0.000 0.444 169 V N -1.616 118.294 119.914 -0.007 0.000 3.141 169 V HA 0.149 4.269 4.120 -0.000 0.000 0.265 169 V C 1.014 177.104 176.094 -0.008 0.000 1.126 169 V CA 0.753 63.049 62.300 -0.007 0.000 1.141 169 V CB -1.413 30.404 31.823 -0.010 0.000 0.743 169 V HN 0.442 nan 8.190 nan 0.000 0.492 170 G N 1.024 109.820 108.800 -0.007 0.000 2.542 170 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.235 170 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.235 170 G C 0.318 175.213 174.900 -0.008 0.000 1.286 170 G CA 0.323 45.419 45.100 -0.007 0.000 0.904 170 G HN 0.412 nan 8.290 nan 0.000 0.577 171 K N 0.709 121.104 120.400 -0.007 0.000 2.323 171 K HA 0.158 4.478 4.320 -0.000 0.000 0.197 171 K C 1.332 177.926 176.600 -0.010 0.000 1.043 171 K CA 1.191 57.473 56.287 -0.008 0.000 0.997 171 K CB 0.286 32.783 32.500 -0.006 0.000 0.807 171 K HN 0.555 nan 8.250 nan 0.000 0.497 172 E N 1.056 121.250 120.200 -0.010 0.000 2.569 172 E HA 0.112 4.462 4.350 -0.000 0.000 0.205 172 E C 0.158 176.750 176.600 -0.014 0.000 1.006 172 E CA -0.280 56.112 56.400 -0.012 0.000 0.985 172 E CB 1.160 30.853 29.700 -0.011 0.000 1.060 172 E HN 0.142 nan 8.360 nan 0.000 0.460 173 G N 1.039 109.831 108.800 -0.014 0.000 2.389 173 G HA2 0.427 4.387 3.960 -0.000 0.000 0.328 173 G HA3 0.427 4.387 3.960 -0.000 0.000 0.328 173 G C 0.135 175.024 174.900 -0.019 0.000 1.133 173 G CA -0.461 44.631 45.100 -0.014 0.000 0.891 173 G HN -0.018 nan 8.290 nan 0.000 0.485 174 V N 1.051 120.954 119.914 -0.019 0.000 2.785 174 V HA 0.529 4.649 4.120 -0.000 0.000 0.300 174 V C 0.122 176.201 176.094 -0.024 0.000 1.062 174 V CA -0.547 61.738 62.300 -0.025 0.000 1.029 174 V CB 1.193 33.003 31.823 -0.022 0.000 1.024 174 V HN 0.562 nan 8.190 nan 0.000 0.477 175 I N 2.793 123.342 120.570 -0.034 0.000 2.478 175 I HA 0.546 4.716 4.170 -0.000 0.000 0.287 175 I C -0.095 175.999 176.117 -0.038 0.000 1.042 175 I CA -0.177 61.104 61.300 -0.033 0.000 1.067 175 I CB 2.294 40.272 38.000 -0.037 0.000 1.233 175 I HN 0.828 nan 8.210 nan 0.000 0.431 176 T N 2.784 117.324 114.554 -0.023 0.000 2.908 176 T HA 0.709 5.059 4.350 -0.000 0.000 0.290 176 T C -0.550 174.145 174.700 -0.008 0.000 1.034 176 T CA -0.906 61.184 62.100 -0.016 0.000 1.010 176 T CB 2.235 71.100 68.868 -0.005 0.000 1.068 176 T HN 0.392 nan 8.240 nan 0.000 0.481 177 V N 0.911 120.824 119.914 -0.001 0.000 2.555 177 V HA 0.887 5.007 4.120 -0.000 0.000 0.302 177 V C -0.943 175.158 176.094 0.012 0.000 1.038 177 V CA -0.661 61.642 62.300 0.006 0.000 0.887 177 V CB 1.143 32.972 31.823 0.010 0.000 0.991 177 V HN 1.210 nan 8.190 nan 0.000 0.434 178 E N 2.709 122.915 120.200 0.010 0.000 2.433 178 E HA 0.482 4.832 4.350 -0.000 0.000 0.278 178 E C -1.693 174.913 176.600 0.010 0.000 0.976 178 E CA -1.076 55.331 56.400 0.012 0.000 0.793 178 E CB 1.341 31.047 29.700 0.009 0.000 1.311 178 E HN 0.551 nan 8.360 nan 0.000 0.460 179 D N 0.891 121.298 120.400 0.011 0.000 2.506 179 D HA 0.231 4.871 4.640 -0.000 0.000 0.234 179 D C 0.233 176.537 176.300 0.006 0.000 1.143 179 D CA 0.687 54.693 54.000 0.009 0.000 0.871 179 D CB 0.891 41.697 40.800 0.010 0.000 1.190 179 D HN 0.568 nan 8.370 nan 0.000 0.459 180 G N -0.146 108.658 108.800 0.005 0.000 2.511 180 G HA2 0.389 4.349 3.960 -0.000 0.000 0.316 180 G HA3 0.389 4.349 3.960 -0.000 0.000 0.316 180 G C 0.994 175.895 174.900 0.003 0.000 1.210 180 G CA -0.224 44.878 45.100 0.003 0.000 0.969 180 G HN 0.424 nan 8.290 nan 0.000 0.492 181 T N -1.519 113.036 114.554 0.001 0.000 2.866 181 T HA 0.235 4.585 4.350 -0.000 0.000 0.250 181 T C 1.582 176.283 174.700 0.001 0.000 1.033 181 T CA 0.932 63.032 62.100 0.001 0.000 1.145 181 T CB -0.400 68.468 68.868 -0.000 0.000 0.866 181 T HN 0.713 nan 8.240 nan 0.000 0.434 182 G N 0.574 109.374 108.800 0.001 0.000 2.630 182 G HA2 0.538 4.498 3.960 -0.000 0.000 0.223 182 G HA3 0.538 4.498 3.960 -0.000 0.000 0.223 182 G C 0.515 175.416 174.900 0.001 0.000 1.434 182 G CA -0.575 44.526 45.100 0.001 0.000 1.057 182 G HN 0.301 nan 8.290 nan 0.000 0.570 183 L N -0.536 120.688 121.223 0.001 0.000 2.463 183 L HA 0.158 4.498 4.340 -0.000 0.000 0.219 183 L C 0.482 177.353 176.870 0.001 0.000 1.088 183 L CA 0.509 55.350 54.840 0.001 0.000 0.849 183 L CB -0.205 41.854 42.059 0.001 0.000 1.012 183 L HN 0.421 nan 8.230 nan 0.000 0.468 184 Q N 0.010 119.811 119.800 0.001 0.000 2.222 184 Q HA 0.277 4.617 4.340 -0.000 0.000 0.252 184 Q C -0.686 175.314 176.000 0.001 0.000 0.926 184 Q CA -0.550 55.253 55.803 0.000 0.000 0.899 184 Q CB 0.664 29.402 28.738 -0.000 0.000 1.250 184 Q HN -0.024 nan 8.270 nan 0.000 0.441 185 D N 1.418 121.819 120.400 0.001 0.000 2.399 185 D HA 0.099 4.739 4.640 -0.000 0.000 0.241 185 D C -0.418 175.882 176.300 0.000 0.000 1.133 185 D CA 0.173 54.174 54.000 0.001 0.000 0.890 185 D CB 0.916 41.717 40.800 0.001 0.000 1.201 185 D HN 0.627 nan 8.370 nan 0.000 0.432 186 E N 1.217 121.417 120.200 -0.000 0.000 2.290 186 E HA 0.361 4.711 4.350 -0.000 0.000 0.274 186 E C -1.849 174.750 176.600 -0.002 0.000 0.889 186 E CA -0.844 55.555 56.400 -0.001 0.000 0.760 186 E CB 1.643 31.342 29.700 -0.001 0.000 1.206 186 E HN 0.198 nan 8.360 nan 0.000 0.419 187 L N 4.120 125.341 121.223 -0.002 0.000 2.280 187 L HA 0.500 4.840 4.340 -0.000 0.000 0.287 187 L C -1.358 175.509 176.870 -0.004 0.000 1.023 187 L CA -0.225 54.613 54.840 -0.003 0.000 0.819 187 L CB 1.229 43.286 42.059 -0.004 0.000 1.212 187 L HN 0.458 nan 8.230 nan 0.000 0.420 188 D N 4.039 124.437 120.400 -0.004 0.000 2.175 188 D HA 0.505 5.145 4.640 -0.000 0.000 0.248 188 D C -0.894 175.403 176.300 -0.005 0.000 1.047 188 D CA 0.038 54.035 54.000 -0.005 0.000 0.883 188 D CB 2.367 43.164 40.800 -0.005 0.000 1.180 188 D HN 0.298 nan 8.370 nan 0.000 0.438 189 V N 2.621 122.531 119.914 -0.005 0.000 2.447 189 V HA 0.206 4.326 4.120 -0.000 0.000 0.292 189 V C -0.063 176.029 176.094 -0.004 0.000 1.021 189 V CA -0.823 61.474 62.300 -0.005 0.000 0.850 189 V CB 1.846 33.666 31.823 -0.005 0.000 1.005 189 V HN 0.288 nan 8.190 nan 0.000 0.426 190 V N 3.610 123.521 119.914 -0.004 0.000 2.607 190 V HA 0.445 4.565 4.120 -0.000 0.000 0.289 190 V C 0.214 176.308 176.094 -0.001 0.000 1.053 190 V CA -0.728 61.571 62.300 -0.003 0.000 0.996 190 V CB 1.463 33.285 31.823 -0.003 0.000 0.995 190 V HN 0.740 nan 8.190 nan 0.000 0.476 191 E N 2.893 123.093 120.200 -0.001 0.000 2.146 191 E HA 0.513 4.863 4.350 -0.000 0.000 0.282 191 E C 0.767 177.370 176.600 0.005 0.000 0.989 191 E CA 0.784 57.184 56.400 0.001 0.000 0.799 191 E CB 1.302 31.001 29.700 -0.002 0.000 1.088 191 E HN 1.010 nan 8.360 nan 0.000 0.397 192 G N 3.573 112.378 108.800 0.007 0.000 2.550 192 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.277 192 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.277 192 G C -0.008 174.906 174.900 0.024 0.000 1.190 192 G CA 0.352 45.459 45.100 0.013 0.000 0.971 192 G HN 0.547 nan 8.290 nan 0.000 0.559 193 M N 1.175 120.797 119.600 0.038 0.000 2.238 193 M HA 0.715 5.195 4.480 -0.000 0.000 0.350 193 M C -0.374 175.986 176.300 0.101 0.000 1.138 193 M CA -0.178 55.165 55.300 0.071 0.000 1.040 193 M CB 1.334 33.980 32.600 0.077 0.000 1.639 193 M HN 0.957 nan 8.290 nan 0.000 0.451 194 Q N 4.800 124.683 119.800 0.139 0.000 2.438 194 Q HA 0.489 4.829 4.340 -0.000 0.000 0.272 194 Q C -2.208 173.909 176.000 0.196 0.000 0.994 194 Q CA -0.759 55.110 55.803 0.111 0.000 0.887 194 Q CB 1.557 30.295 28.738 -0.001 0.000 1.432 194 Q HN 0.808 nan 8.270 nan 0.000 0.392 195 F N -0.249 119.694 119.950 -0.013 0.000 2.691 195 F HA 0.607 5.134 4.527 0.000 0.000 0.334 195 F C -0.526 175.264 175.800 -0.016 0.000 1.107 195 F CA -1.249 56.744 58.000 -0.011 0.000 0.991 195 F CB 0.721 39.717 39.000 -0.006 0.000 1.400 195 F HN 0.418 nan 8.300 nan 0.000 0.503 196 D N 0.400 120.883 120.400 0.139 0.000 2.870 196 D HA 0.222 4.862 4.640 -0.000 0.000 0.241 196 D C -0.548 175.742 176.300 -0.017 0.000 1.234 196 D CA 0.059 54.072 54.000 0.022 0.000 0.844 196 D CB -0.134 40.705 40.800 0.065 0.000 1.051 196 D HN 0.110 nan 8.370 nan 0.000 0.469 197 R N 0.544 120.958 120.500 -0.142 0.000 2.513 197 R HA 0.616 4.956 4.340 -0.000 0.000 0.301 197 R C 0.324 176.493 176.300 -0.218 0.000 0.968 197 R CA -0.783 55.252 56.100 -0.108 0.000 0.872 197 R CB 1.683 32.020 30.300 0.062 0.000 1.177 197 R HN 0.158 nan 8.270 nan 0.000 0.444 198 G N 1.500 110.174 108.800 -0.211 0.000 2.488 198 G HA2 0.403 4.363 3.960 -0.000 0.000 0.318 198 G HA3 0.403 4.363 3.960 -0.000 0.000 0.318 198 G C -0.548 174.197 174.900 -0.259 0.000 1.188 198 G CA -0.545 44.328 45.100 -0.377 0.000 0.944 198 G HN 0.457 nan 8.290 nan 0.000 0.495 199 Y N -1.008 119.308 120.300 0.026 0.000 2.757 199 Y HA 0.159 4.709 4.550 0.000 0.000 0.344 199 Y C 1.221 177.216 175.900 0.158 0.000 1.263 199 Y CA -0.699 57.465 58.100 0.106 0.000 1.493 199 Y CB 0.302 38.884 38.460 0.203 0.000 1.342 199 Y HN 0.207 nan 8.280 nan 0.000 0.627 200 L N 1.484 122.988 121.223 0.469 0.000 2.446 200 L HA 0.083 4.423 4.340 -0.000 0.000 0.219 200 L C 0.497 177.584 176.870 0.361 0.000 1.116 200 L CA 0.839 55.893 54.840 0.356 0.000 0.844 200 L CB -0.095 42.141 42.059 0.295 0.000 0.970 200 L HN 0.836 nan 8.230 nan 0.000 0.457 201 S N -2.460 113.504 115.700 0.441 0.000 2.575 201 S HA 0.406 4.876 4.470 -0.000 0.000 0.278 201 S C -2.412 172.164 174.600 -0.040 0.000 1.139 201 S CA -1.246 57.045 58.200 0.151 0.000 0.954 201 S CB 1.829 65.019 63.200 -0.017 0.000 1.054 201 S HN -0.243 nan 8.310 nan 0.000 0.483 202 P HA 0.015 nan 4.420 nan 0.000 0.236 202 P C 0.160 177.104 177.300 -0.593 0.000 1.172 202 P CA 0.689 63.373 63.100 -0.692 0.000 0.759 202 P CB -0.312 31.121 31.700 -0.444 0.000 0.843 203 Y N -2.634 117.459 120.300 -0.346 0.000 2.420 203 Y HA 0.002 4.552 4.550 -0.000 0.000 0.292 203 Y C 1.889 177.629 175.900 -0.266 0.000 1.119 203 Y CA 0.637 58.553 58.100 -0.306 0.000 1.229 203 Y CB -1.043 37.216 38.460 -0.336 0.000 1.026 203 Y HN -0.102 nan 8.280 nan 0.000 0.554 204 F N 0.326 120.260 119.950 -0.026 0.000 2.250 204 F HA -0.149 4.378 4.527 -0.000 0.000 0.301 204 F C 1.001 176.760 175.800 -0.070 0.000 1.077 204 F CA 0.209 58.192 58.000 -0.028 0.000 1.348 204 F CB -1.015 37.981 39.000 -0.005 0.000 1.040 204 F HN -0.149 nan 8.300 nan 0.000 0.509 205 I N 2.530 123.093 120.570 -0.011 0.000 2.907 205 I HA -0.187 3.983 4.170 -0.000 0.000 0.285 205 I C 0.948 177.066 176.117 0.002 0.000 1.189 205 I CA 0.298 61.565 61.300 -0.056 0.000 1.376 205 I CB -0.134 37.751 38.000 -0.192 0.000 1.420 205 I HN 0.199 nan 8.210 nan 0.000 0.544 206 N N 5.803 124.523 118.700 0.034 0.000 2.336 206 N HA -0.005 4.735 4.740 -0.000 0.000 0.189 206 N C -0.063 175.459 175.510 0.019 0.000 1.113 206 N CA 0.221 53.290 53.050 0.032 0.000 0.858 206 N CB 0.393 38.906 38.487 0.044 0.000 0.970 206 N HN 0.435 nan 8.380 nan 0.000 0.471 207 K N 0.824 121.232 120.400 0.014 0.000 2.701 207 K HA 0.217 4.537 4.320 -0.000 0.000 0.212 207 K C -2.244 174.359 176.600 0.005 0.000 1.035 207 K CA -1.503 54.790 56.287 0.011 0.000 1.048 207 K CB 2.431 34.940 32.500 0.016 0.000 1.234 207 K HN -0.011 nan 8.250 nan 0.000 0.540 208 P HA -0.160 nan 4.420 nan 0.000 0.222 208 P C 0.366 177.666 177.300 -0.001 0.000 1.147 208 P CA 1.198 64.292 63.100 -0.011 0.000 0.790 208 P CB 0.465 32.154 31.700 -0.017 0.000 0.780 209 E N -0.014 120.188 120.200 0.003 0.000 2.118 209 E HA -0.122 4.228 4.350 -0.000 0.000 0.195 209 E C 1.883 178.488 176.600 0.009 0.000 0.992 209 E CA 1.798 58.201 56.400 0.004 0.000 0.804 209 E CB -1.534 28.168 29.700 0.004 0.000 0.741 209 E HN 0.274 nan 8.360 nan 0.000 0.458 210 T N -1.040 113.523 114.554 0.014 0.000 3.014 210 T HA 0.156 4.506 4.350 -0.000 0.000 0.263 210 T C 1.478 176.198 174.700 0.033 0.000 1.078 210 T CA 0.687 62.800 62.100 0.020 0.000 1.135 210 T CB -0.085 68.797 68.868 0.023 0.000 0.895 210 T HN 0.428 nan 8.240 nan 0.000 0.480 211 G N 1.413 110.234 108.800 0.035 0.000 2.160 211 G HA2 0.060 4.020 3.960 -0.000 0.000 0.244 211 G HA3 0.060 4.020 3.960 -0.000 0.000 0.244 211 G C 0.030 175.003 174.900 0.122 0.000 1.022 211 G CA -0.009 45.124 45.100 0.055 0.000 0.741 211 G HN 0.977 nan 8.290 nan 0.000 0.508 212 A N -1.361 121.517 122.820 0.096 0.000 2.556 212 A HA 0.907 5.227 4.320 -0.000 0.000 0.294 212 A C -0.255 177.387 177.584 0.096 0.000 1.091 212 A CA -0.168 51.955 52.037 0.142 0.000 0.704 212 A CB 1.952 21.006 19.000 0.091 0.000 1.300 212 A HN 1.293 nan 8.150 nan 0.000 0.406 213 V N 0.927 120.917 119.914 0.125 0.000 2.539 213 V HA 0.615 4.735 4.120 -0.000 0.000 0.292 213 V C 0.128 176.251 176.094 0.048 0.000 1.045 213 V CA -0.324 62.027 62.300 0.086 0.000 0.945 213 V CB 1.368 33.260 31.823 0.115 0.000 0.993 213 V HN 0.910 nan 8.190 nan 0.000 0.464 214 E N 4.008 124.229 120.200 0.034 0.000 2.274 214 E HA 0.629 4.979 4.350 -0.000 0.000 0.269 214 E C -1.950 174.660 176.600 0.016 0.000 0.891 214 E CA -0.562 55.849 56.400 0.018 0.000 0.784 214 E CB 1.696 31.405 29.700 0.015 0.000 1.225 214 E HN 0.668 nan 8.360 nan 0.000 0.412 215 L N 2.499 123.727 121.223 0.007 0.000 2.388 215 L HA 0.604 4.944 4.340 -0.000 0.000 0.264 215 L C -0.622 176.245 176.870 -0.005 0.000 0.998 215 L CA -1.016 53.828 54.840 0.006 0.000 0.817 215 L CB 2.165 44.229 42.059 0.007 0.000 1.338 215 L HN 0.466 nan 8.230 nan 0.000 0.414 216 E N 0.404 120.600 120.200 -0.008 0.000 2.199 216 E HA 0.441 4.791 4.350 -0.000 0.000 0.269 216 E C -0.446 176.130 176.600 -0.039 0.000 0.899 216 E CA -0.859 55.528 56.400 -0.021 0.000 0.772 216 E CB 1.839 31.531 29.700 -0.014 0.000 1.155 216 E HN 0.602 nan 8.360 nan 0.000 0.408 217 S N 1.192 116.853 115.700 -0.065 0.000 3.614 217 S HA -0.123 4.347 4.470 -0.000 0.000 0.360 217 S C -2.265 172.231 174.600 -0.174 0.000 1.023 217 S CA 0.441 58.569 58.200 -0.121 0.000 1.114 217 S CB -1.516 61.617 63.200 -0.113 0.000 0.907 217 S HN 0.474 nan 8.310 nan 0.000 0.470 218 P HA 0.505 nan 4.420 nan 0.000 0.282 218 P C 0.109 177.330 177.300 -0.132 0.000 1.249 218 P CA -0.605 62.451 63.100 -0.073 0.000 0.806 218 P CB 0.427 32.122 31.700 -0.007 0.000 0.984 219 F N 1.504 121.457 119.950 0.004 0.000 2.410 219 F HA 0.309 4.836 4.527 -0.000 0.000 0.334 219 F C 1.052 176.854 175.800 0.003 0.000 1.134 219 F CA 0.234 58.237 58.000 0.004 0.000 1.227 219 F CB 0.304 39.307 39.000 0.004 0.000 1.194 219 F HN 0.081 nan 8.300 nan 0.000 0.571 220 I N 3.638 124.335 120.570 0.211 0.000 2.447 220 I HA 0.249 4.419 4.170 -0.000 0.000 0.287 220 I C -1.270 174.908 176.117 0.102 0.000 1.023 220 I CA -0.821 60.550 61.300 0.118 0.000 1.083 220 I CB 1.756 39.801 38.000 0.076 0.000 1.245 220 I HN 0.254 nan 8.210 nan 0.000 0.434 221 L N 8.089 129.355 121.223 0.072 0.000 2.255 221 L HA 0.493 4.833 4.340 -0.000 0.000 0.289 221 L C -0.890 176.001 176.870 0.035 0.000 1.046 221 L CA -0.093 54.776 54.840 0.047 0.000 0.816 221 L CB 0.672 42.751 42.059 0.033 0.000 1.197 221 L HN 0.463 nan 8.230 nan 0.000 0.427 222 L N 6.187 127.426 121.223 0.027 0.000 2.264 222 L HA 0.669 5.009 4.340 -0.000 0.000 0.287 222 L C 0.021 176.897 176.870 0.009 0.000 1.039 222 L CA -0.507 54.341 54.840 0.014 0.000 0.829 222 L CB 1.140 43.201 42.059 0.004 0.000 1.211 222 L HN 0.779 nan 8.230 nan 0.000 0.427 223 A N 1.991 124.817 122.820 0.011 0.000 2.285 223 A HA 0.323 4.643 4.320 -0.000 0.000 0.310 223 A C -0.364 177.225 177.584 0.008 0.000 1.266 223 A CA -0.538 51.505 52.037 0.011 0.000 0.832 223 A CB 0.733 19.744 19.000 0.017 0.000 1.163 223 A HN 0.693 nan 8.150 nan 0.000 0.499 224 D N 2.794 123.195 120.400 0.002 0.000 2.713 224 D HA 0.346 4.986 4.640 -0.000 0.000 0.229 224 D C -0.055 176.250 176.300 0.008 0.000 1.136 224 D CA 0.318 54.318 54.000 0.001 0.000 1.010 224 D CB -0.603 40.193 40.800 -0.008 0.000 1.084 224 D HN 0.605 nan 8.370 nan 0.000 0.495 225 K N -0.343 120.066 120.400 0.015 0.000 2.740 225 K HA 0.196 4.516 4.320 -0.000 0.000 0.279 225 K C -1.056 175.560 176.600 0.027 0.000 1.038 225 K CA -1.141 55.158 56.287 0.020 0.000 0.887 225 K CB 0.595 33.104 32.500 0.016 0.000 1.411 225 K HN -0.180 nan 8.250 nan 0.000 0.381 226 K N 1.778 122.196 120.400 0.030 0.000 2.469 226 K HA 0.172 4.492 4.320 -0.000 0.000 0.274 226 K C -0.247 176.373 176.600 0.034 0.000 0.983 226 K CA 0.103 56.411 56.287 0.035 0.000 0.974 226 K CB 0.298 32.819 32.500 0.035 0.000 0.913 226 K HN 0.408 nan 8.250 nan 0.000 0.493 227 I N 2.295 122.889 120.570 0.040 0.000 2.420 227 I HA 0.033 4.203 4.170 -0.000 0.000 0.282 227 I C 0.295 176.437 176.117 0.041 0.000 1.019 227 I CA -0.061 61.262 61.300 0.039 0.000 1.130 227 I CB 1.721 39.748 38.000 0.045 0.000 1.262 227 I HN 0.664 nan 8.210 nan 0.000 0.454 228 S N 3.510 119.230 115.700 0.033 0.000 2.591 228 S HA 0.194 4.664 4.470 -0.000 0.000 0.235 228 S C 0.725 175.341 174.600 0.027 0.000 1.074 228 S CA -0.019 58.200 58.200 0.031 0.000 0.925 228 S CB 0.271 63.486 63.200 0.026 0.000 0.818 228 S HN 0.573 nan 8.310 nan 0.000 0.535 229 N N 2.100 120.814 118.700 0.023 0.000 2.434 229 N HA 0.269 5.009 4.740 -0.000 0.000 0.272 229 N C 0.384 175.906 175.510 0.020 0.000 1.040 229 N CA -0.073 52.988 53.050 0.019 0.000 0.956 229 N CB 1.433 39.928 38.487 0.014 0.000 1.108 229 N HN 0.151 nan 8.380 nan 0.000 0.481 230 I N 3.274 123.856 120.570 0.020 0.000 2.676 230 I HA -0.194 3.976 4.170 -0.000 0.000 0.259 230 I C 1.815 177.941 176.117 0.014 0.000 1.194 230 I CA 0.807 62.119 61.300 0.021 0.000 1.473 230 I CB 0.178 38.190 38.000 0.020 0.000 1.096 230 I HN 0.455 nan 8.210 nan 0.000 0.443 231 R N 0.925 121.431 120.500 0.010 0.000 2.119 231 R HA -0.238 4.102 4.340 -0.000 0.000 0.246 231 R C 1.733 178.036 176.300 0.006 0.000 1.146 231 R CA 1.891 57.994 56.100 0.006 0.000 0.962 231 R CB -0.843 29.460 30.300 0.005 0.000 0.863 231 R HN 0.493 nan 8.270 nan 0.000 0.442 232 E N 0.256 120.461 120.200 0.008 0.000 2.333 232 E HA -0.129 4.221 4.350 -0.000 0.000 0.198 232 E C 1.837 178.441 176.600 0.006 0.000 1.007 232 E CA 0.835 57.239 56.400 0.007 0.000 0.845 232 E CB 0.000 29.706 29.700 0.011 0.000 0.766 232 E HN 0.341 nan 8.360 nan 0.000 0.507 233 M N -0.188 119.417 119.600 0.008 0.000 2.429 233 M HA 0.053 4.533 4.480 -0.000 0.000 0.265 233 M C 2.261 178.561 176.300 -0.001 0.000 1.120 233 M CA 0.618 55.922 55.300 0.007 0.000 1.173 233 M CB -0.619 31.992 32.600 0.017 0.000 1.343 233 M HN 0.121 nan 8.290 nan 0.000 0.464 234 L N 1.059 122.282 121.223 -0.000 0.000 1.991 234 L HA -0.254 4.086 4.340 -0.000 0.000 0.221 234 L C -0.387 176.475 176.870 -0.013 0.000 1.079 234 L CA 2.086 56.923 54.840 -0.004 0.000 0.778 234 L CB -2.446 39.611 42.059 -0.002 0.000 0.893 234 L HN 0.167 nan 8.230 nan 0.000 0.437 235 P HA -0.162 nan 4.420 nan 0.000 0.217 235 P C 1.727 179.005 177.300 -0.036 0.000 1.148 235 P CA 1.578 64.664 63.100 -0.023 0.000 0.834 235 P CB 0.014 31.702 31.700 -0.020 0.000 0.783 236 V N 0.144 120.036 119.914 -0.037 0.000 2.341 236 V HA -0.123 3.997 4.120 -0.000 0.000 0.240 236 V C 2.784 178.840 176.094 -0.062 0.000 1.035 236 V CA 1.065 63.330 62.300 -0.057 0.000 1.033 236 V CB -1.344 30.452 31.823 -0.045 0.000 0.678 236 V HN -0.048 nan 8.190 nan 0.000 0.464 237 L N 0.236 121.439 121.223 -0.034 0.000 2.197 237 L HA -0.257 4.083 4.340 -0.000 0.000 0.215 237 L C 2.460 179.313 176.870 -0.028 0.000 1.095 237 L CA 1.757 56.584 54.840 -0.021 0.000 0.764 237 L CB -0.637 41.423 42.059 0.002 0.000 0.897 237 L HN 0.510 nan 8.230 nan 0.000 0.436 238 E N -0.349 119.831 120.200 -0.033 0.000 2.216 238 E HA -0.005 4.345 4.350 -0.000 0.000 0.192 238 E C 2.338 178.910 176.600 -0.046 0.000 0.973 238 E CA 0.728 57.110 56.400 -0.029 0.000 0.851 238 E CB -0.022 29.664 29.700 -0.022 0.000 0.804 238 E HN 0.454 nan 8.360 nan 0.000 0.477 239 A N 1.446 124.223 122.820 -0.071 0.000 1.972 239 A HA -0.124 4.196 4.320 -0.000 0.000 0.219 239 A C 2.444 179.942 177.584 -0.143 0.000 1.169 239 A CA 1.092 53.068 52.037 -0.102 0.000 0.635 239 A CB -0.490 18.436 19.000 -0.124 0.000 0.810 239 A HN 0.104 nan 8.150 nan 0.000 0.446 240 V N -0.551 119.272 119.914 -0.153 0.000 2.488 240 V HA -0.106 4.014 4.120 -0.000 0.000 0.246 240 V C 2.903 178.979 176.094 -0.030 0.000 1.046 240 V CA 1.465 63.676 62.300 -0.149 0.000 1.053 240 V CB -1.227 30.523 31.823 -0.122 0.000 0.679 240 V HN 0.552 nan 8.190 nan 0.000 0.458 241 A N -0.422 122.387 122.820 -0.018 0.000 2.019 241 A HA -0.186 4.134 4.320 -0.000 0.000 0.219 241 A C 2.336 179.925 177.584 0.009 0.000 1.164 241 A CA 1.651 53.692 52.037 0.007 0.000 0.644 241 A CB -0.371 18.631 19.000 0.004 0.000 0.805 241 A HN 0.478 nan 8.150 nan 0.000 0.449 242 K N -0.767 119.630 120.400 -0.006 0.000 2.167 242 K HA 0.087 4.407 4.320 -0.000 0.000 0.203 242 K C 1.983 178.594 176.600 0.019 0.000 1.052 242 K CA 0.859 57.146 56.287 0.001 0.000 0.956 242 K CB -0.113 32.379 32.500 -0.013 0.000 0.735 242 K HN 0.424 nan 8.250 nan 0.000 0.451 243 A N 0.214 123.050 122.820 0.027 0.000 2.169 243 A HA 0.131 4.451 4.320 -0.000 0.000 0.212 243 A C 1.288 178.941 177.584 0.115 0.000 1.153 243 A CA 0.945 53.035 52.037 0.087 0.000 0.756 243 A CB -0.258 18.828 19.000 0.144 0.000 0.813 243 A HN 0.409 nan 8.150 nan 0.000 0.471 244 G N -0.623 108.229 108.800 0.088 0.000 2.179 244 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.257 244 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.257 244 G C 0.124 175.083 174.900 0.099 0.000 1.010 244 G CA 0.852 45.999 45.100 0.078 0.000 0.736 244 G HN 0.599 nan 8.290 nan 0.000 0.513 245 K N 0.638 121.136 120.400 0.162 0.000 2.208 245 K HA 0.563 4.883 4.320 -0.000 0.000 0.247 245 K C -2.093 174.609 176.600 0.171 0.000 0.953 245 K CA -2.032 54.355 56.287 0.168 0.000 0.837 245 K CB 2.282 34.919 32.500 0.229 0.000 1.131 245 K HN 0.043 nan 8.250 nan 0.000 0.431 246 P HA 0.149 nan 4.420 nan 0.000 0.275 246 P C -1.242 176.140 177.300 0.136 0.000 1.266 246 P CA -0.512 62.648 63.100 0.100 0.000 0.793 246 P CB 0.626 32.361 31.700 0.057 0.000 1.074 247 L N 0.635 121.916 121.223 0.097 0.000 2.464 247 L HA 0.501 4.841 4.340 -0.000 0.000 0.266 247 L C -1.520 175.370 176.870 0.033 0.000 0.965 247 L CA -0.969 53.933 54.840 0.103 0.000 0.833 247 L CB 1.669 43.788 42.059 0.099 0.000 1.296 247 L HN 0.137 nan 8.230 nan 0.000 0.405 248 L N 5.731 126.977 121.223 0.037 0.000 2.307 248 L HA 0.655 4.995 4.340 -0.000 0.000 0.282 248 L C -1.068 175.807 176.870 0.009 0.000 1.051 248 L CA -0.149 54.688 54.840 -0.005 0.000 0.804 248 L CB 1.269 43.336 42.059 0.014 0.000 1.197 248 L HN 0.471 nan 8.230 nan 0.000 0.431 249 I N 6.987 127.542 120.570 -0.025 0.000 2.382 249 I HA 0.316 4.486 4.170 -0.000 0.000 0.285 249 I C -0.474 175.658 176.117 0.025 0.000 1.007 249 I CA -0.252 61.050 61.300 0.004 0.000 1.142 249 I CB 1.100 39.098 38.000 -0.003 0.000 1.289 249 I HN 0.533 nan 8.210 nan 0.000 0.453 250 I N 5.785 126.384 120.570 0.049 0.000 2.371 250 I HA 0.550 4.720 4.170 -0.000 0.000 0.282 250 I C 0.429 176.571 176.117 0.041 0.000 1.031 250 I CA -0.072 61.270 61.300 0.069 0.000 1.180 250 I CB 1.322 39.377 38.000 0.091 0.000 1.336 250 I HN 0.647 nan 8.210 nan 0.000 0.467 251 A N 4.253 127.102 122.820 0.048 0.000 2.344 251 A HA 0.457 4.777 4.320 -0.000 0.000 0.307 251 A C 1.014 178.624 177.584 0.043 0.000 1.151 251 A CA -0.536 51.524 52.037 0.038 0.000 0.842 251 A CB 1.078 20.103 19.000 0.041 0.000 1.350 251 A HN 0.724 nan 8.150 nan 0.000 0.459 252 E N -0.689 119.533 120.200 0.037 0.000 2.171 252 E HA -0.163 4.187 4.350 -0.000 0.000 0.197 252 E C -0.319 176.315 176.600 0.056 0.000 0.997 252 E CA 1.773 58.200 56.400 0.044 0.000 0.810 252 E CB 0.116 29.839 29.700 0.038 0.000 0.738 252 E HN 0.633 nan 8.360 nan 0.000 0.467 253 D N -2.347 118.088 120.400 0.057 0.000 2.783 253 D HA 0.113 4.753 4.640 -0.000 0.000 0.253 253 D C -1.997 174.344 176.300 0.068 0.000 1.206 253 D CA -0.498 53.541 54.000 0.065 0.000 0.740 253 D CB 1.610 42.445 40.800 0.059 0.000 1.313 253 D HN -0.132 nan 8.370 nan 0.000 0.427 254 V N 2.691 122.655 119.914 0.084 0.000 2.349 254 V HA 0.444 4.564 4.120 -0.000 0.000 0.284 254 V C 0.305 176.455 176.094 0.093 0.000 1.014 254 V CA -0.607 61.749 62.300 0.093 0.000 0.826 254 V CB 1.268 33.164 31.823 0.122 0.000 1.009 254 V HN 0.449 nan 8.190 nan 0.000 0.431 255 E N 2.537 122.780 120.200 0.073 0.000 2.790 255 E HA 0.457 4.807 4.350 -0.000 0.000 0.256 255 E C 1.457 178.092 176.600 0.059 0.000 1.246 255 E CA -0.046 56.391 56.400 0.061 0.000 1.041 255 E CB 0.708 30.436 29.700 0.046 0.000 1.272 255 E HN 0.620 nan 8.360 nan 0.000 0.603 256 G N 0.767 109.594 108.800 0.046 0.000 2.863 256 G HA2 -0.374 3.586 3.960 -0.000 0.000 0.217 256 G HA3 -0.374 3.586 3.960 -0.000 0.000 0.217 256 G C 1.262 176.181 174.900 0.031 0.000 1.315 256 G CA 1.094 46.216 45.100 0.036 0.000 0.796 256 G HN 0.531 nan 8.290 nan 0.000 0.669 257 E N 0.805 121.020 120.200 0.026 0.000 2.048 257 E HA -0.225 4.125 4.350 -0.000 0.000 0.202 257 E C 2.973 179.588 176.600 0.025 0.000 1.021 257 E CA 1.655 58.067 56.400 0.020 0.000 0.825 257 E CB -0.652 29.059 29.700 0.017 0.000 0.756 257 E HN 0.306 nan 8.360 nan 0.000 0.454 258 A N 1.171 124.013 122.820 0.036 0.000 1.835 258 A HA -0.201 4.119 4.320 -0.000 0.000 0.215 258 A C 2.307 179.929 177.584 0.063 0.000 1.199 258 A CA 1.714 53.779 52.037 0.047 0.000 0.615 258 A CB -1.030 18.002 19.000 0.054 0.000 0.838 258 A HN 0.325 nan 8.150 nan 0.000 0.444 259 L N -0.104 121.167 121.223 0.080 0.000 1.963 259 L HA -0.210 4.130 4.340 -0.000 0.000 0.220 259 L C 2.786 179.685 176.870 0.049 0.000 1.076 259 L CA 2.623 57.528 54.840 0.108 0.000 0.772 259 L CB -1.191 40.940 42.059 0.119 0.000 0.892 259 L HN 0.453 nan 8.230 nan 0.000 0.435 260 A N -1.706 121.124 122.820 0.016 0.000 1.894 260 A HA -0.363 3.957 4.320 -0.000 0.000 0.220 260 A C 2.300 179.857 177.584 -0.045 0.000 1.237 260 A CA 3.190 55.209 52.037 -0.030 0.000 0.660 260 A CB -1.547 17.439 19.000 -0.022 0.000 0.835 260 A HN 0.587 nan 8.150 nan 0.000 0.461 261 T N 0.092 114.639 114.554 -0.013 0.000 2.746 261 T HA -0.092 4.258 4.350 -0.000 0.000 0.267 261 T C 1.835 176.537 174.700 0.003 0.000 1.039 261 T CA 1.378 63.472 62.100 -0.011 0.000 1.142 261 T CB -0.395 68.475 68.868 0.004 0.000 0.866 261 T HN 0.359 nan 8.240 nan 0.000 0.444 262 L N 0.770 122.021 121.223 0.047 0.000 2.013 262 L HA -0.152 4.188 4.340 -0.000 0.000 0.212 262 L C 2.648 179.554 176.870 0.059 0.000 1.073 262 L CA 1.200 56.106 54.840 0.109 0.000 0.753 262 L CB -0.625 41.572 42.059 0.231 0.000 0.890 262 L HN 0.171 nan 8.230 nan 0.000 0.432 263 V N -0.734 119.135 119.914 -0.075 0.000 2.287 263 V HA -0.272 3.848 4.120 -0.000 0.000 0.248 263 V C 2.379 178.349 176.094 -0.207 0.000 1.053 263 V CA 1.732 63.866 62.300 -0.277 0.000 1.027 263 V CB -0.432 31.187 31.823 -0.341 0.000 0.646 263 V HN 0.257 nan 8.190 nan 0.000 0.447 264 V N 0.610 120.434 119.914 -0.150 0.000 2.490 264 V HA -0.260 3.860 4.120 -0.000 0.000 0.250 264 V C 2.004 178.056 176.094 -0.069 0.000 1.061 264 V CA 2.319 64.544 62.300 -0.125 0.000 1.064 264 V CB -1.105 30.661 31.823 -0.095 0.000 0.670 264 V HN 0.643 nan 8.190 nan 0.000 0.461 265 N N 0.512 119.194 118.700 -0.029 0.000 2.207 265 N HA -0.133 4.607 4.740 -0.000 0.000 0.182 265 N C 2.002 177.526 175.510 0.023 0.000 1.020 265 N CA 1.610 54.662 53.050 0.004 0.000 0.858 265 N CB -0.179 38.324 38.487 0.027 0.000 0.991 265 N HN 0.669 nan 8.380 nan 0.000 0.427 266 T N -0.372 114.210 114.554 0.046 0.000 2.812 266 T HA -0.080 4.270 4.350 -0.000 0.000 0.264 266 T C 1.939 176.659 174.700 0.033 0.000 1.042 266 T CA 0.615 62.763 62.100 0.081 0.000 1.140 266 T CB -0.221 68.762 68.868 0.192 0.000 0.870 266 T HN -0.024 nan 8.240 nan 0.000 0.445 267 M N 1.487 121.074 119.600 -0.022 0.000 2.082 267 M HA 0.001 4.481 4.480 -0.000 0.000 0.258 267 M C 2.315 178.601 176.300 -0.024 0.000 1.071 267 M CA 1.674 56.947 55.300 -0.044 0.000 1.103 267 M CB -0.397 32.134 32.600 -0.114 0.000 1.307 267 M HN 0.054 nan 8.290 nan 0.000 0.409 268 R N -0.290 120.194 120.500 -0.026 0.000 2.369 268 R HA 0.082 4.422 4.340 -0.000 0.000 0.200 268 R C 0.742 177.040 176.300 -0.002 0.000 1.046 268 R CA 0.626 56.716 56.100 -0.018 0.000 1.057 268 R CB -0.729 29.558 30.300 -0.022 0.000 0.888 268 R HN 0.753 nan 8.270 nan 0.000 0.474 269 G N 0.967 109.772 108.800 0.008 0.000 2.176 269 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.252 269 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.252 269 G C 0.616 175.527 174.900 0.019 0.000 1.024 269 G CA 0.251 45.361 45.100 0.017 0.000 0.755 269 G HN 0.324 nan 8.290 nan 0.000 0.507 270 I N -1.130 119.452 120.570 0.020 0.000 2.185 270 I HA 0.094 4.264 4.170 -0.000 0.000 0.235 270 I C 1.044 177.179 176.117 0.030 0.000 1.069 270 I CA 1.253 62.566 61.300 0.020 0.000 1.354 270 I CB -0.154 37.855 38.000 0.016 0.000 1.093 270 I HN 0.080 nan 8.210 nan 0.000 0.411 271 V N 0.744 120.683 119.914 0.041 0.000 2.686 271 V HA 0.265 4.385 4.120 -0.000 0.000 0.306 271 V C -0.640 175.497 176.094 0.071 0.000 1.065 271 V CA -1.060 61.271 62.300 0.051 0.000 0.894 271 V CB 1.691 33.542 31.823 0.047 0.000 1.004 271 V HN 0.100 nan 8.190 nan 0.000 0.424 272 K N 2.946 123.389 120.400 0.071 0.000 2.363 272 K HA 0.547 4.867 4.320 -0.000 0.000 0.289 272 K C -0.662 175.989 176.600 0.085 0.000 1.063 272 K CA 0.305 56.642 56.287 0.082 0.000 0.967 272 K CB 0.589 33.129 32.500 0.067 0.000 0.987 272 K HN 0.536 nan 8.250 nan 0.000 0.473 273 V N 1.321 121.303 119.914 0.114 0.000 3.078 273 V HA 0.874 4.994 4.120 -0.000 0.000 0.311 273 V C -0.894 175.158 176.094 -0.069 0.000 1.138 273 V CA -1.124 61.213 62.300 0.061 0.000 1.007 273 V CB 2.146 34.029 31.823 0.099 0.000 1.045 273 V HN 0.746 nan 8.190 nan 0.000 0.432 274 A N 1.342 123.929 122.820 -0.388 0.000 2.587 274 A HA 1.053 5.373 4.320 -0.000 0.000 0.293 274 A C -0.921 176.176 177.584 -0.811 0.000 1.087 274 A CA -0.135 51.263 52.037 -1.064 0.000 0.692 274 A CB 2.017 20.716 19.000 -0.503 0.000 1.291 274 A HN 2.015 nan 8.150 nan 0.000 0.407 275 A N 0.016 122.257 122.820 -0.965 0.000 2.515 275 A HA 0.877 5.197 4.320 -0.000 0.000 0.298 275 A C -0.916 176.622 177.584 -0.077 0.000 1.059 275 A CA -0.076 51.784 52.037 -0.294 0.000 0.698 275 A CB 1.517 20.470 19.000 -0.079 0.000 1.289 275 A HN 2.318 nan 8.150 nan 0.000 0.404 276 V N -0.911 119.013 119.914 0.016 0.000 2.924 276 V HA 0.508 4.628 4.120 -0.000 0.000 0.300 276 V C -0.470 175.693 176.094 0.115 0.000 1.227 276 V CA -1.275 61.064 62.300 0.065 0.000 0.954 276 V CB 1.040 32.885 31.823 0.037 0.000 1.055 276 V HN 0.950 nan 8.190 nan 0.000 0.429 277 K N 1.846 122.316 120.400 0.117 0.000 2.402 277 K HA 0.544 4.864 4.320 -0.000 0.000 0.265 277 K C 0.655 177.359 176.600 0.174 0.000 0.978 277 K CA 0.564 56.926 56.287 0.124 0.000 0.913 277 K CB 0.563 33.124 32.500 0.102 0.000 0.954 277 K HN 1.156 nan 8.250 nan 0.000 0.511 278 A N 2.848 125.733 122.820 0.109 0.000 2.332 278 A HA 0.296 4.616 4.320 -0.000 0.000 0.258 278 A C -2.178 175.437 177.584 0.051 0.000 1.087 278 A CA -1.270 50.793 52.037 0.044 0.000 0.802 278 A CB -0.169 18.834 19.000 0.004 0.000 1.042 278 A HN 0.452 nan 8.150 nan 0.000 0.489 279 P HA 0.398 nan 4.420 nan 0.000 0.276 279 P C 0.679 177.992 177.300 0.021 0.000 1.230 279 P CA 1.411 64.491 63.100 -0.034 0.000 0.776 279 P CB 0.661 32.175 31.700 -0.311 0.000 0.888 280 G N 2.815 111.678 108.800 0.106 0.000 2.692 280 G HA2 -0.124 3.836 3.960 -0.000 0.000 0.248 280 G HA3 -0.124 3.836 3.960 -0.000 0.000 0.248 280 G C -0.572 174.487 174.900 0.265 0.000 1.340 280 G CA 0.221 45.429 45.100 0.179 0.000 0.896 280 G HN 0.693 nan 8.290 nan 0.000 0.570 281 F N -2.388 117.574 119.950 0.020 0.000 2.922 281 F HA 0.854 5.381 4.527 -0.000 0.000 0.345 281 F C 1.320 177.130 175.800 0.017 0.000 1.209 281 F CA 0.267 58.277 58.000 0.018 0.000 1.018 281 F CB 0.553 39.567 39.000 0.023 0.000 1.472 281 F HN 2.404 nan 8.300 nan 0.000 0.521 282 G N 0.827 109.453 108.800 -0.290 0.000 2.611 282 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.301 282 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.301 282 G C 0.438 175.211 174.900 -0.212 0.000 1.233 282 G CA 0.759 45.630 45.100 -0.381 0.000 0.993 282 G HN 0.865 nan 8.290 nan 0.000 0.553 283 D N 0.983 121.251 120.400 -0.220 0.000 2.216 283 D HA -0.020 4.620 4.640 -0.000 0.000 0.208 283 D C 2.626 178.859 176.300 -0.112 0.000 0.960 283 D CA 1.206 55.129 54.000 -0.128 0.000 0.861 283 D CB -0.024 40.713 40.800 -0.104 0.000 0.985 283 D HN 0.621 nan 8.370 nan 0.000 0.493 284 R N 1.424 121.843 120.500 -0.136 0.000 2.120 284 R HA -0.036 4.304 4.340 -0.000 0.000 0.234 284 R C 2.295 178.541 176.300 -0.090 0.000 1.123 284 R CA 0.560 56.596 56.100 -0.106 0.000 0.975 284 R CB -0.469 29.766 30.300 -0.109 0.000 0.866 284 R HN 0.050 nan 8.270 nan 0.000 0.446 285 R N 2.119 122.568 120.500 -0.085 0.000 2.115 285 R HA -0.217 4.123 4.340 -0.000 0.000 0.239 285 R C 1.722 177.981 176.300 -0.069 0.000 1.133 285 R CA 2.365 58.428 56.100 -0.062 0.000 0.935 285 R CB -0.160 30.125 30.300 -0.025 0.000 0.853 285 R HN 0.281 nan 8.270 nan 0.000 0.433 286 K N -0.166 120.199 120.400 -0.058 0.000 2.063 286 K HA -0.127 4.193 4.320 -0.000 0.000 0.208 286 K C 2.211 178.777 176.600 -0.057 0.000 1.048 286 K CA 1.539 57.796 56.287 -0.050 0.000 0.928 286 K CB -0.244 32.232 32.500 -0.040 0.000 0.713 286 K HN 0.310 nan 8.250 nan 0.000 0.442 287 A N 1.376 124.159 122.820 -0.061 0.000 1.902 287 A HA -0.128 4.192 4.320 -0.000 0.000 0.217 287 A C 2.134 179.675 177.584 -0.072 0.000 1.181 287 A CA 1.367 53.368 52.037 -0.060 0.000 0.623 287 A CB -0.396 18.568 19.000 -0.060 0.000 0.818 287 A HN 0.229 nan 8.150 nan 0.000 0.443 288 M N -1.067 118.480 119.600 -0.088 0.000 2.254 288 M HA 0.046 4.526 4.480 -0.000 0.000 0.265 288 M C 2.072 178.285 176.300 -0.144 0.000 1.066 288 M CA 0.998 56.230 55.300 -0.114 0.000 1.123 288 M CB -0.144 32.379 32.600 -0.128 0.000 1.388 288 M HN 0.484 nan 8.290 nan 0.000 0.425 289 L N 0.095 121.237 121.223 -0.134 0.000 2.131 289 L HA -0.262 4.078 4.340 -0.000 0.000 0.210 289 L C 2.445 179.261 176.870 -0.090 0.000 1.092 289 L CA 1.321 56.082 54.840 -0.131 0.000 0.759 289 L CB -0.262 41.740 42.059 -0.095 0.000 0.903 289 L HN 0.336 nan 8.230 nan 0.000 0.435 290 Q N 0.233 119.991 119.800 -0.071 0.000 2.124 290 Q HA -0.241 4.099 4.340 -0.000 0.000 0.202 290 Q C 1.625 177.595 176.000 -0.051 0.000 0.977 290 Q CA 2.033 57.806 55.803 -0.051 0.000 0.850 290 Q CB -0.209 28.503 28.738 -0.043 0.000 0.901 290 Q HN 0.442 nan 8.270 nan 0.000 0.429 291 D N -0.005 120.356 120.400 -0.064 0.000 2.106 291 D HA -0.200 4.440 4.640 -0.000 0.000 0.191 291 D C 1.904 178.172 176.300 -0.053 0.000 0.997 291 D CA 1.786 55.751 54.000 -0.059 0.000 0.834 291 D CB -0.373 40.384 40.800 -0.073 0.000 0.956 291 D HN 0.401 nan 8.370 nan 0.000 0.448 292 I N 1.134 121.658 120.570 -0.078 0.000 2.208 292 I HA -0.288 3.882 4.170 -0.000 0.000 0.245 292 I C 2.511 178.612 176.117 -0.027 0.000 1.097 292 I CA 1.072 62.336 61.300 -0.059 0.000 1.363 292 I CB -0.337 37.599 38.000 -0.106 0.000 1.051 292 I HN -0.065 nan 8.210 nan 0.000 0.413 293 A N 0.923 123.726 122.820 -0.029 0.000 1.851 293 A HA -0.252 4.068 4.320 -0.000 0.000 0.216 293 A C 2.426 180.006 177.584 -0.007 0.000 1.195 293 A CA 2.818 54.848 52.037 -0.012 0.000 0.622 293 A CB -1.326 17.665 19.000 -0.014 0.000 0.831 293 A HN 0.404 nan 8.150 nan 0.000 0.444 294 T N 0.495 115.041 114.554 -0.013 0.000 2.635 294 T HA -0.171 4.179 4.350 -0.000 0.000 0.267 294 T C 1.818 176.514 174.700 -0.006 0.000 1.040 294 T CA 1.429 63.523 62.100 -0.010 0.000 1.156 294 T CB -0.415 68.444 68.868 -0.015 0.000 0.863 294 T HN 0.257 nan 8.240 nan 0.000 0.430 295 L N 1.683 122.901 121.223 -0.008 0.000 2.131 295 L HA -0.073 4.267 4.340 -0.000 0.000 0.210 295 L C 2.297 179.167 176.870 -0.000 0.000 1.092 295 L CA 2.278 57.116 54.840 -0.003 0.000 0.759 295 L CB -1.235 40.825 42.059 0.001 0.000 0.903 295 L HN 0.531 nan 8.230 nan 0.000 0.435 296 T N -4.732 109.824 114.554 0.003 0.000 3.044 296 T HA 0.278 4.628 4.350 -0.000 0.000 0.260 296 T C 1.133 175.837 174.700 0.008 0.000 1.019 296 T CA 0.327 62.429 62.100 0.004 0.000 0.921 296 T CB 0.111 68.986 68.868 0.012 0.000 1.053 296 T HN 0.451 nan 8.240 nan 0.000 0.533 297 G N 0.565 109.370 108.800 0.008 0.000 2.338 297 G HA2 0.102 4.062 3.960 -0.000 0.000 0.296 297 G HA3 0.102 4.062 3.960 -0.000 0.000 0.296 297 G C 0.302 175.218 174.900 0.028 0.000 1.040 297 G CA -0.131 44.977 45.100 0.014 0.000 1.004 297 G HN 1.063 nan 8.290 nan 0.000 0.509 298 G N -1.523 107.293 108.800 0.027 0.000 2.735 298 G HA2 0.816 4.776 3.960 -0.000 0.000 0.301 298 G HA3 0.816 4.776 3.960 -0.000 0.000 0.301 298 G C -0.514 174.398 174.900 0.021 0.000 1.279 298 G CA 0.024 45.146 45.100 0.037 0.000 1.019 298 G HN 0.643 nan 8.290 nan 0.000 0.497 299 T N 0.665 115.232 114.554 0.021 0.000 2.786 299 T HA 0.411 4.761 4.350 -0.000 0.000 0.283 299 T C 0.183 174.886 174.700 0.006 0.000 0.992 299 T CA -0.271 61.835 62.100 0.010 0.000 0.954 299 T CB 1.469 70.343 68.868 0.009 0.000 0.934 299 T HN 0.405 nan 8.240 nan 0.000 0.440 300 V N 4.818 124.731 119.914 -0.001 0.000 2.617 300 V HA 0.120 4.240 4.120 -0.000 0.000 0.304 300 V C 0.439 176.531 176.094 -0.003 0.000 1.040 300 V CA 0.163 62.459 62.300 -0.005 0.000 1.149 300 V CB -0.137 31.678 31.823 -0.014 0.000 0.914 300 V HN 0.783 nan 8.190 nan 0.000 0.487 301 I N 5.332 125.901 120.570 -0.001 0.000 2.442 301 I HA 0.277 4.447 4.170 -0.000 0.000 0.279 301 I C 0.286 176.403 176.117 0.000 0.000 1.081 301 I CA 0.139 61.439 61.300 0.000 0.000 1.197 301 I CB 0.795 38.796 38.000 0.002 0.000 1.394 301 I HN 0.755 nan 8.210 nan 0.000 0.488 302 S N 2.378 118.077 115.700 -0.002 0.000 2.537 302 S HA 0.402 4.872 4.470 -0.000 0.000 0.301 302 S C 0.481 175.080 174.600 -0.000 0.000 1.092 302 S CA -0.869 57.331 58.200 -0.001 0.000 1.048 302 S CB 1.824 65.022 63.200 -0.005 0.000 1.053 302 S HN 0.541 nan 8.310 nan 0.000 0.501 303 E N 0.892 121.092 120.200 0.002 0.000 2.516 303 E HA -0.075 4.275 4.350 -0.000 0.000 0.199 303 E C 1.015 177.615 176.600 0.000 0.000 1.069 303 E CA 0.506 56.907 56.400 0.002 0.000 0.876 303 E CB -0.060 29.643 29.700 0.004 0.000 0.843 303 E HN 0.755 nan 8.360 nan 0.000 0.530 304 E N 0.578 120.778 120.200 -0.001 0.000 2.076 304 E HA -0.059 4.291 4.350 -0.000 0.000 0.190 304 E C 1.462 178.060 176.600 -0.003 0.000 0.979 304 E CA 0.645 57.043 56.400 -0.003 0.000 0.807 304 E CB 0.102 29.799 29.700 -0.005 0.000 0.761 304 E HN 0.302 nan 8.360 nan 0.000 0.454 305 I N 0.744 121.312 120.570 -0.004 0.000 3.680 305 I HA 0.089 4.259 4.170 -0.000 0.000 0.306 305 I C 0.655 176.770 176.117 -0.002 0.000 1.260 305 I CA -0.006 61.292 61.300 -0.004 0.000 1.201 305 I CB -0.417 37.580 38.000 -0.004 0.000 1.009 305 I HN 0.067 nan 8.210 nan 0.000 0.467 306 G N 2.220 111.019 108.800 -0.002 0.000 2.392 306 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.290 306 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.290 306 G C -0.259 174.641 174.900 -0.001 0.000 1.032 306 G CA -0.021 45.078 45.100 -0.001 0.000 1.269 306 G HN 0.330 nan 8.290 nan 0.000 0.511 307 M N -0.171 119.429 119.600 -0.001 0.000 2.591 307 M HA 0.568 5.048 4.480 -0.000 0.000 0.306 307 M C -0.100 176.200 176.300 0.000 0.000 1.190 307 M CA -0.700 54.600 55.300 -0.001 0.000 0.889 307 M CB 2.370 34.969 32.600 -0.001 0.000 1.728 307 M HN 0.325 nan 8.290 nan 0.000 0.458 308 E N 1.286 121.486 120.200 -0.001 0.000 2.266 308 E HA 0.359 4.709 4.350 -0.000 0.000 0.268 308 E C 0.213 176.813 176.600 -0.001 0.000 0.879 308 E CA -0.552 55.849 56.400 -0.000 0.000 0.762 308 E CB 2.583 32.282 29.700 -0.001 0.000 1.199 308 E HN 0.618 nan 8.360 nan 0.000 0.422 309 L N 1.515 122.739 121.223 0.001 0.000 2.043 309 L HA -0.263 4.077 4.340 -0.000 0.000 0.212 309 L C 1.829 178.696 176.870 -0.005 0.000 1.075 309 L CA 1.528 56.368 54.840 -0.001 0.000 0.752 309 L CB -0.351 41.710 42.059 0.004 0.000 0.891 309 L HN 0.620 nan 8.230 nan 0.000 0.432 310 E N 0.346 120.543 120.200 -0.004 0.000 2.097 310 E HA -0.197 4.153 4.350 -0.000 0.000 0.196 310 E C 0.882 177.475 176.600 -0.011 0.000 1.000 310 E CA 1.241 57.637 56.400 -0.007 0.000 0.804 310 E CB -0.097 29.600 29.700 -0.005 0.000 0.740 310 E HN 0.316 nan 8.360 nan 0.000 0.454 311 K N 0.458 120.852 120.400 -0.009 0.000 2.502 311 K HA 0.407 4.727 4.320 -0.000 0.000 0.244 311 K C -1.045 175.548 176.600 -0.012 0.000 1.249 311 K CA -0.175 56.106 56.287 -0.010 0.000 1.193 311 K CB 0.689 33.184 32.500 -0.007 0.000 1.674 311 K HN 0.007 nan 8.250 nan 0.000 0.302 312 A N 1.433 124.242 122.820 -0.018 0.000 2.446 312 A HA 0.279 4.599 4.320 -0.000 0.000 0.282 312 A C 0.088 177.650 177.584 -0.037 0.000 1.102 312 A CA -0.830 51.194 52.037 -0.022 0.000 0.737 312 A CB 0.590 19.579 19.000 -0.019 0.000 1.212 312 A HN 0.403 nan 8.150 nan 0.000 0.434 313 T N 0.334 114.866 114.554 -0.037 0.000 2.788 313 T HA 0.424 4.774 4.350 -0.000 0.000 0.287 313 T C 1.450 176.102 174.700 -0.081 0.000 1.007 313 T CA -0.461 61.606 62.100 -0.055 0.000 1.005 313 T CB 0.318 69.163 68.868 -0.038 0.000 1.012 313 T HN 0.427 nan 8.240 nan 0.000 0.530 314 L N 0.037 121.181 121.223 -0.132 0.000 2.103 314 L HA -0.201 4.139 4.340 -0.000 0.000 0.215 314 L C 3.080 179.899 176.870 -0.085 0.000 1.080 314 L CA 1.966 56.669 54.840 -0.227 0.000 0.764 314 L CB -0.596 41.294 42.059 -0.280 0.000 0.890 314 L HN 0.889 nan 8.230 nan 0.000 0.435 315 E N -0.067 120.121 120.200 -0.021 0.000 2.130 315 E HA -0.264 4.086 4.350 -0.000 0.000 0.196 315 E C 1.601 178.225 176.600 0.041 0.000 0.998 315 E CA 1.531 57.950 56.400 0.031 0.000 0.806 315 E CB 0.072 29.782 29.700 0.018 0.000 0.738 315 E HN 0.526 nan 8.360 nan 0.000 0.459 316 D N 0.116 120.526 120.400 0.016 0.000 2.218 316 D HA -0.120 4.520 4.640 -0.000 0.000 0.204 316 D C 0.374 176.700 176.300 0.045 0.000 0.976 316 D CA 0.430 54.443 54.000 0.021 0.000 0.853 316 D CB -0.061 40.742 40.800 0.004 0.000 0.939 316 D HN 0.121 nan 8.370 nan 0.000 0.481 317 L N 1.184 122.446 121.223 0.066 0.000 2.453 317 L HA 0.214 4.554 4.340 -0.000 0.000 0.272 317 L C 1.442 178.417 176.870 0.174 0.000 1.182 317 L CA 0.118 55.036 54.840 0.129 0.000 0.858 317 L CB 0.639 42.804 42.059 0.177 0.000 1.120 317 L HN -0.135 nan 8.230 nan 0.000 0.474 318 G N 2.393 111.270 108.800 0.129 0.000 2.651 318 G HA2 0.405 4.365 3.960 -0.000 0.000 0.260 318 G HA3 0.405 4.365 3.960 -0.000 0.000 0.260 318 G C -0.758 174.197 174.900 0.092 0.000 1.216 318 G CA -0.210 44.945 45.100 0.091 0.000 0.913 318 G HN 0.624 nan 8.290 nan 0.000 0.535 319 Q N -1.694 118.107 119.800 0.002 0.000 2.391 319 Q HA 0.594 4.934 4.340 -0.000 0.000 0.279 319 Q C -0.926 175.026 176.000 -0.081 0.000 1.028 319 Q CA -0.685 55.055 55.803 -0.105 0.000 0.836 319 Q CB 2.072 30.668 28.738 -0.237 0.000 1.414 319 Q HN 0.991 nan 8.270 nan 0.000 0.397 320 A N 1.852 124.612 122.820 -0.100 0.000 2.552 320 A HA 0.525 4.845 4.320 -0.000 0.000 0.288 320 A C -0.677 176.857 177.584 -0.082 0.000 1.193 320 A CA -0.564 51.432 52.037 -0.067 0.000 0.713 320 A CB 1.483 20.465 19.000 -0.030 0.000 1.305 320 A HN 0.769 nan 8.150 nan 0.000 0.424 321 K N -0.770 119.597 120.400 -0.055 0.000 2.314 321 K HA 0.202 4.522 4.320 -0.000 0.000 0.198 321 K C 0.200 176.775 176.600 -0.040 0.000 1.045 321 K CA 0.805 57.061 56.287 -0.052 0.000 0.988 321 K CB 0.263 32.740 32.500 -0.038 0.000 0.783 321 K HN 0.498 nan 8.250 nan 0.000 0.484 322 R N -0.156 120.325 120.500 -0.031 0.000 2.644 322 R HA 0.168 4.508 4.340 -0.000 0.000 0.257 322 R C -1.880 174.411 176.300 -0.015 0.000 1.082 322 R CA -0.481 55.607 56.100 -0.021 0.000 0.927 322 R CB 2.109 32.400 30.300 -0.016 0.000 1.258 322 R HN -0.045 nan 8.270 nan 0.000 0.459 323 V N 0.020 119.927 119.914 -0.012 0.000 2.876 323 V HA 0.861 4.981 4.120 -0.000 0.000 0.312 323 V C -1.423 174.662 176.094 -0.015 0.000 1.085 323 V CA -0.520 61.772 62.300 -0.012 0.000 0.945 323 V CB 2.348 34.166 31.823 -0.008 0.000 1.017 323 V HN 0.418 nan 8.190 nan 0.000 0.428 324 V N 6.349 126.247 119.914 -0.028 0.000 2.482 324 V HA 0.567 4.687 4.120 -0.000 0.000 0.295 324 V C -0.348 175.716 176.094 -0.050 0.000 1.026 324 V CA -0.199 62.086 62.300 -0.025 0.000 0.856 324 V CB 1.407 33.216 31.823 -0.024 0.000 1.001 324 V HN 1.067 nan 8.190 nan 0.000 0.424 325 I N 2.987 123.546 120.570 -0.018 0.000 2.466 325 I HA 0.681 4.851 4.170 -0.000 0.000 0.289 325 I C -0.636 175.499 176.117 0.030 0.000 1.026 325 I CA -0.345 60.932 61.300 -0.038 0.000 1.078 325 I CB 2.027 40.005 38.000 -0.037 0.000 1.249 325 I HN 0.461 nan 8.210 nan 0.000 0.429 326 N N 5.465 124.119 118.700 -0.076 0.000 2.717 326 N HA 0.225 4.965 4.740 -0.000 0.000 0.314 326 N C 0.521 175.795 175.510 -0.394 0.000 1.324 326 N CA -0.744 52.261 53.050 -0.075 0.000 0.902 326 N CB 0.718 39.159 38.487 -0.077 0.000 1.126 326 N HN 0.663 nan 8.380 nan 0.000 0.579 327 K N 0.239 120.434 120.400 -0.341 0.000 2.152 327 K HA -0.172 4.148 4.320 -0.000 0.000 0.206 327 K C -0.509 175.830 176.600 -0.435 0.000 1.048 327 K CA 2.026 58.009 56.287 -0.506 0.000 0.933 327 K CB -0.052 32.356 32.500 -0.154 0.000 0.721 327 K HN 0.575 nan 8.250 nan 0.000 0.447 328 D N -1.323 118.908 120.400 -0.282 0.000 2.822 328 D HA 0.102 4.742 4.640 -0.000 0.000 0.327 328 D C -1.106 175.083 176.300 -0.185 0.000 1.577 328 D CA -0.400 53.476 54.000 -0.206 0.000 0.785 328 D CB 1.109 41.833 40.800 -0.127 0.000 1.199 328 D HN -0.162 nan 8.370 nan 0.000 0.443 329 T N 0.323 114.740 114.554 -0.228 0.000 3.355 329 T HA 0.344 4.694 4.350 -0.000 0.000 0.324 329 T C -0.658 173.855 174.700 -0.311 0.000 0.932 329 T CA -0.406 61.549 62.100 -0.242 0.000 1.032 329 T CB 1.544 70.317 68.868 -0.158 0.000 1.027 329 T HN -0.095 nan 8.240 nan 0.000 0.456 330 T N 2.791 117.023 114.554 -0.536 0.000 2.889 330 T HA 0.650 5.000 4.350 -0.000 0.000 0.291 330 T C 0.147 174.528 174.700 -0.532 0.000 0.995 330 T CA -0.335 61.409 62.100 -0.593 0.000 1.092 330 T CB 1.318 69.662 68.868 -0.873 0.000 0.954 330 T HN 0.577 nan 8.240 nan 0.000 0.506 331 T N 2.675 117.074 114.554 -0.257 0.000 3.071 331 T HA 0.566 4.916 4.350 -0.000 0.000 0.311 331 T C -1.074 173.610 174.700 -0.027 0.000 1.042 331 T CA -0.674 61.359 62.100 -0.110 0.000 1.028 331 T CB 0.293 69.114 68.868 -0.078 0.000 1.068 331 T HN 0.435 nan 8.240 nan 0.000 0.451 332 I N 5.563 126.156 120.570 0.039 0.000 2.331 332 I HA 0.473 4.643 4.170 -0.000 0.000 0.292 332 I C -0.102 176.029 176.117 0.024 0.000 0.998 332 I CA -0.754 60.572 61.300 0.043 0.000 1.267 332 I CB 1.438 39.487 38.000 0.082 0.000 1.386 332 I HN 0.566 nan 8.210 nan 0.000 0.476 333 I N 5.850 126.424 120.570 0.007 0.000 2.312 333 I HA 0.203 4.373 4.170 -0.000 0.000 0.290 333 I C -0.547 175.567 176.117 -0.005 0.000 1.008 333 I CA -0.246 61.054 61.300 0.000 0.000 1.226 333 I CB 0.864 38.860 38.000 -0.007 0.000 1.371 333 I HN 0.610 nan 8.210 nan 0.000 0.468 334 D N 4.870 125.269 120.400 -0.003 0.000 3.908 334 D HA -0.112 4.528 4.640 -0.000 0.000 0.237 334 D C 0.119 176.411 176.300 -0.013 0.000 1.091 334 D CA 0.964 54.959 54.000 -0.009 0.000 1.147 334 D CB -0.008 40.784 40.800 -0.013 0.000 0.857 334 D HN 0.767 nan 8.370 nan 0.000 0.410 335 G N 1.050 109.845 108.800 -0.008 0.000 2.476 335 G HA2 0.401 4.361 3.960 -0.000 0.000 0.269 335 G HA3 0.401 4.361 3.960 -0.000 0.000 0.269 335 G C 1.364 176.253 174.900 -0.018 0.000 1.195 335 G CA -0.465 44.627 45.100 -0.012 0.000 0.843 335 G HN 0.376 nan 8.290 nan 0.000 0.545 336 V N 1.773 121.672 119.914 -0.025 0.000 2.809 336 V HA 0.008 4.128 4.120 -0.000 0.000 0.256 336 V C 2.193 178.279 176.094 -0.013 0.000 1.080 336 V CA 1.142 63.427 62.300 -0.025 0.000 1.102 336 V CB -1.005 30.796 31.823 -0.036 0.000 0.705 336 V HN 0.839 nan 8.190 nan 0.000 0.475 337 G N 1.327 110.123 108.800 -0.008 0.000 2.150 337 G HA2 -0.017 3.943 3.960 -0.000 0.000 0.250 337 G HA3 -0.017 3.943 3.960 -0.000 0.000 0.250 337 G C -0.051 174.846 174.900 -0.005 0.000 1.179 337 G CA -0.117 44.981 45.100 -0.004 0.000 0.934 337 G HN 0.575 nan 8.290 nan 0.000 0.453 338 E N 2.130 122.327 120.200 -0.004 0.000 2.413 338 E HA 0.021 4.371 4.350 -0.000 0.000 0.263 338 E C 0.835 177.432 176.600 -0.004 0.000 1.015 338 E CA 0.072 56.470 56.400 -0.004 0.000 0.916 338 E CB 1.122 30.821 29.700 -0.002 0.000 0.947 338 E HN 0.689 nan 8.360 nan 0.000 0.440 339 E N 1.766 121.963 120.200 -0.004 0.000 2.401 339 E HA -0.193 4.157 4.350 -0.000 0.000 0.199 339 E C 1.630 178.227 176.600 -0.004 0.000 1.023 339 E CA 0.624 57.021 56.400 -0.005 0.000 0.859 339 E CB -0.017 29.680 29.700 -0.005 0.000 0.780 339 E HN 0.585 nan 8.360 nan 0.000 0.523 340 A N 1.657 124.475 122.820 -0.004 0.000 1.858 340 A HA -0.126 4.194 4.320 -0.000 0.000 0.216 340 A C 2.407 179.988 177.584 -0.004 0.000 1.190 340 A CA 1.741 53.776 52.037 -0.004 0.000 0.617 340 A CB -0.614 18.384 19.000 -0.003 0.000 0.827 340 A HN 0.323 nan 8.150 nan 0.000 0.443 341 A N -0.498 122.320 122.820 -0.004 0.000 1.930 341 A HA 0.085 4.405 4.320 -0.000 0.000 0.215 341 A C 2.111 179.691 177.584 -0.007 0.000 1.176 341 A CA 1.167 53.202 52.037 -0.005 0.000 0.632 341 A CB -0.519 18.479 19.000 -0.004 0.000 0.819 341 A HN 0.480 nan 8.150 nan 0.000 0.445 342 I N -0.811 119.755 120.570 -0.006 0.000 2.113 342 I HA -0.287 3.883 4.170 -0.000 0.000 0.238 342 I C 2.761 178.873 176.117 -0.008 0.000 1.070 342 I CA 1.814 63.109 61.300 -0.008 0.000 1.332 342 I CB -0.348 37.649 38.000 -0.006 0.000 1.044 342 I HN 0.319 nan 8.210 nan 0.000 0.402 343 Q N 1.249 121.044 119.800 -0.007 0.000 2.135 343 Q HA -0.152 4.188 4.340 -0.000 0.000 0.204 343 Q C 2.008 178.003 176.000 -0.008 0.000 0.981 343 Q CA 2.107 57.905 55.803 -0.007 0.000 0.856 343 Q CB -0.822 27.912 28.738 -0.006 0.000 0.902 343 Q HN 0.534 nan 8.270 nan 0.000 0.425 344 G N -0.137 108.658 108.800 -0.008 0.000 2.434 344 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.214 344 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.214 344 G C 1.519 176.412 174.900 -0.010 0.000 1.202 344 G CA 0.856 45.951 45.100 -0.008 0.000 0.788 344 G HN 0.371 nan 8.290 nan 0.000 0.539 345 R N 0.297 120.790 120.500 -0.012 0.000 2.159 345 R HA -0.016 4.324 4.340 -0.000 0.000 0.237 345 R C 2.409 178.699 176.300 -0.017 0.000 1.131 345 R CA 1.452 57.543 56.100 -0.015 0.000 0.982 345 R CB -0.810 29.480 30.300 -0.017 0.000 0.868 345 R HN 0.257 nan 8.270 nan 0.000 0.453 346 V N 0.314 120.220 119.914 -0.014 0.000 2.453 346 V HA -0.067 4.053 4.120 -0.000 0.000 0.247 346 V C 2.193 178.279 176.094 -0.014 0.000 1.048 346 V CA 1.650 63.941 62.300 -0.015 0.000 1.049 346 V CB -0.661 31.155 31.823 -0.012 0.000 0.672 346 V HN 0.506 nan 8.190 nan 0.000 0.457 347 A N -1.057 121.756 122.820 -0.012 0.000 2.168 347 A HA -0.167 4.153 4.320 -0.000 0.000 0.215 347 A C 2.139 179.716 177.584 -0.012 0.000 1.152 347 A CA 1.204 53.234 52.037 -0.011 0.000 0.716 347 A CB -0.254 18.741 19.000 -0.009 0.000 0.794 347 A HN 0.633 nan 8.150 nan 0.000 0.465 348 Q N -0.612 119.179 119.800 -0.014 0.000 2.107 348 Q HA 0.117 4.457 4.340 -0.000 0.000 0.195 348 Q C 1.632 177.621 176.000 -0.018 0.000 0.964 348 Q CA 1.057 56.851 55.803 -0.015 0.000 0.833 348 Q CB -0.147 28.581 28.738 -0.016 0.000 0.910 348 Q HN 0.715 nan 8.270 nan 0.000 0.465 349 I N 0.743 121.301 120.570 -0.021 0.000 3.176 349 I HA -0.157 4.013 4.170 -0.000 0.000 0.275 349 I C 2.239 178.343 176.117 -0.022 0.000 1.298 349 I CA 0.374 61.659 61.300 -0.025 0.000 1.445 349 I CB -0.127 37.856 38.000 -0.030 0.000 1.075 349 I HN 0.086 nan 8.210 nan 0.000 0.482 350 R N 1.639 122.128 120.500 -0.018 0.000 2.073 350 R HA -0.184 4.156 4.340 -0.000 0.000 0.234 350 R C 2.006 178.298 176.300 -0.013 0.000 1.134 350 R CA 1.748 57.839 56.100 -0.015 0.000 0.952 350 R CB -0.104 30.189 30.300 -0.012 0.000 0.850 350 R HN 0.396 nan 8.270 nan 0.000 0.433 351 Q N -0.648 119.144 119.800 -0.013 0.000 2.392 351 Q HA 0.040 4.380 4.340 -0.000 0.000 0.203 351 Q C 1.695 177.687 176.000 -0.014 0.000 0.917 351 Q CA 0.153 55.949 55.803 -0.011 0.000 0.939 351 Q CB 0.536 29.269 28.738 -0.010 0.000 1.063 351 Q HN 0.356 nan 8.270 nan 0.000 0.516 352 Q N 0.518 120.307 119.800 -0.018 0.000 2.084 352 Q HA -0.135 4.205 4.340 -0.000 0.000 0.202 352 Q C 2.006 177.993 176.000 -0.021 0.000 0.978 352 Q CA 1.226 57.016 55.803 -0.022 0.000 0.844 352 Q CB -0.043 28.677 28.738 -0.029 0.000 0.898 352 Q HN 0.512 nan 8.270 nan 0.000 0.426 353 I N 0.975 121.532 120.570 -0.021 0.000 2.353 353 I HA -0.196 3.974 4.170 -0.000 0.000 0.248 353 I C 2.090 178.201 176.117 -0.010 0.000 1.119 353 I CA 0.730 62.019 61.300 -0.018 0.000 1.417 353 I CB -0.321 37.668 38.000 -0.019 0.000 1.078 353 I HN 0.035 nan 8.210 nan 0.000 0.421 354 E N 1.599 121.794 120.200 -0.008 0.000 2.085 354 E HA -0.215 4.135 4.350 -0.000 0.000 0.194 354 E C 1.413 178.011 176.600 -0.002 0.000 0.994 354 E CA 1.397 57.795 56.400 -0.004 0.000 0.801 354 E CB -0.292 29.406 29.700 -0.004 0.000 0.743 354 E HN 0.659 nan 8.360 nan 0.000 0.453 355 E N 0.132 120.329 120.200 -0.005 0.000 2.501 355 E HA 0.306 4.656 4.350 -0.000 0.000 0.200 355 E C -0.072 176.527 176.600 -0.003 0.000 1.016 355 E CA -0.075 56.323 56.400 -0.003 0.000 0.921 355 E CB 0.812 30.509 29.700 -0.004 0.000 1.034 355 E HN 0.037 nan 8.360 nan 0.000 0.468 356 A N 1.895 124.712 122.820 -0.005 0.000 2.545 356 A HA 0.075 4.395 4.320 -0.000 0.000 0.297 356 A C 1.335 178.922 177.584 0.006 0.000 1.340 356 A CA -0.194 51.841 52.037 -0.004 0.000 1.016 356 A CB -0.587 18.405 19.000 -0.013 0.000 1.122 356 A HN 0.256 nan 8.150 nan 0.000 0.537 357 T N -0.303 114.257 114.554 0.010 0.000 3.163 357 T HA 0.129 4.479 4.350 -0.000 0.000 0.260 357 T C 0.836 175.550 174.700 0.024 0.000 1.156 357 T CA 0.865 62.974 62.100 0.015 0.000 1.072 357 T CB -0.170 68.706 68.868 0.014 0.000 0.937 357 T HN 0.410 nan 8.240 nan 0.000 0.528 358 S N -0.625 115.092 115.700 0.029 0.000 2.751 358 S HA 0.420 4.890 4.470 -0.000 0.000 0.310 358 S C 0.222 174.851 174.600 0.049 0.000 1.128 358 S CA -0.754 57.474 58.200 0.047 0.000 0.931 358 S CB 1.765 65.008 63.200 0.070 0.000 1.177 358 S HN 0.149 nan 8.310 nan 0.000 0.530 359 D N -0.208 120.236 120.400 0.073 0.000 2.323 359 D HA 0.048 4.688 4.640 -0.000 0.000 0.218 359 D C 1.218 177.576 176.300 0.097 0.000 0.973 359 D CA 0.735 54.779 54.000 0.074 0.000 0.890 359 D CB -0.054 40.791 40.800 0.075 0.000 1.011 359 D HN 0.592 nan 8.370 nan 0.000 0.499 360 Y N 1.862 122.168 120.300 0.010 0.000 2.337 360 Y HA -0.078 4.472 4.550 -0.000 0.000 0.293 360 Y C 0.972 176.873 175.900 0.003 0.000 1.123 360 Y CA 1.335 59.441 58.100 0.010 0.000 1.201 360 Y CB 0.054 38.521 38.460 0.012 0.000 1.011 360 Y HN -0.201 nan 8.280 nan 0.000 0.545 361 D N -0.280 120.108 120.400 -0.020 0.000 2.378 361 D HA -0.041 4.599 4.640 -0.000 0.000 0.227 361 D C 1.903 178.137 176.300 -0.111 0.000 1.012 361 D CA 0.520 54.463 54.000 -0.094 0.000 0.905 361 D CB 0.010 40.814 40.800 0.007 0.000 0.895 361 D HN 0.329 nan 8.370 nan 0.000 0.532 362 R N 0.158 120.599 120.500 -0.099 0.000 2.164 362 R HA -0.001 4.339 4.340 -0.000 0.000 0.198 362 R C 1.502 177.748 176.300 -0.090 0.000 1.028 362 R CA 0.239 56.298 56.100 -0.067 0.000 1.083 362 R CB 0.389 30.675 30.300 -0.024 0.000 1.026 362 R HN -0.007 nan 8.270 nan 0.000 0.514 363 E N 1.592 121.720 120.200 -0.120 0.000 2.023 363 E HA -0.225 4.125 4.350 -0.000 0.000 0.196 363 E C 1.661 178.181 176.600 -0.134 0.000 1.003 363 E CA 1.187 57.518 56.400 -0.115 0.000 0.809 363 E CB -0.170 29.458 29.700 -0.119 0.000 0.755 363 E HN 0.209 nan 8.360 nan 0.000 0.449 364 K N 0.899 121.170 120.400 -0.216 0.000 2.063 364 K HA -0.070 4.250 4.320 -0.000 0.000 0.208 364 K C 2.541 179.071 176.600 -0.116 0.000 1.048 364 K CA 0.747 56.927 56.287 -0.178 0.000 0.928 364 K CB -0.638 31.714 32.500 -0.246 0.000 0.713 364 K HN 0.196 nan 8.250 nan 0.000 0.442 365 L N 1.170 122.326 121.223 -0.111 0.000 2.017 365 L HA -0.216 4.124 4.340 -0.000 0.000 0.208 365 L C 2.670 179.506 176.870 -0.057 0.000 1.073 365 L CA 1.381 56.176 54.840 -0.076 0.000 0.745 365 L CB -0.542 41.477 42.059 -0.067 0.000 0.894 365 L HN 0.222 nan 8.230 nan 0.000 0.432 366 Q N -0.265 119.502 119.800 -0.055 0.000 2.170 366 Q HA -0.221 4.119 4.340 -0.000 0.000 0.203 366 Q C 2.102 178.080 176.000 -0.037 0.000 0.976 366 Q CA 1.369 57.148 55.803 -0.041 0.000 0.858 366 Q CB -0.090 28.626 28.738 -0.037 0.000 0.907 366 Q HN 0.517 nan 8.270 nan 0.000 0.433 367 E N 0.680 120.854 120.200 -0.043 0.000 2.012 367 E HA -0.203 4.147 4.350 -0.000 0.000 0.197 367 E C 2.078 178.662 176.600 -0.026 0.000 1.007 367 E CA 1.017 57.398 56.400 -0.031 0.000 0.816 367 E CB -0.035 29.645 29.700 -0.034 0.000 0.762 367 E HN 0.252 nan 8.360 nan 0.000 0.451 368 R N 0.379 120.857 120.500 -0.036 0.000 2.103 368 R HA -0.178 4.162 4.340 -0.000 0.000 0.242 368 R C 2.700 178.984 176.300 -0.027 0.000 1.142 368 R CA 1.692 57.771 56.100 -0.034 0.000 0.960 368 R CB -0.851 29.420 30.300 -0.048 0.000 0.858 368 R HN 0.252 nan 8.270 nan 0.000 0.439 369 V N -1.221 118.676 119.914 -0.028 0.000 2.380 369 V HA -0.210 3.910 4.120 -0.000 0.000 0.251 369 V C 2.183 178.268 176.094 -0.015 0.000 1.063 369 V CA 2.018 64.305 62.300 -0.022 0.000 1.055 369 V CB -0.909 30.901 31.823 -0.022 0.000 0.657 369 V HN 0.309 nan 8.190 nan 0.000 0.455 370 A N 0.241 123.053 122.820 -0.014 0.000 1.929 370 A HA -0.063 4.257 4.320 -0.000 0.000 0.216 370 A C 2.288 179.871 177.584 -0.002 0.000 1.176 370 A CA 1.681 53.713 52.037 -0.009 0.000 0.628 370 A CB -0.532 18.463 19.000 -0.009 0.000 0.816 370 A HN 0.605 nan 8.150 nan 0.000 0.444 371 K N -0.661 119.739 120.400 0.001 0.000 2.283 371 K HA 0.067 4.387 4.320 -0.000 0.000 0.202 371 K C 1.392 177.997 176.600 0.009 0.000 1.048 371 K CA 0.939 57.234 56.287 0.013 0.000 0.948 371 K CB -0.161 32.352 32.500 0.022 0.000 0.742 371 K HN 0.463 nan 8.250 nan 0.000 0.458 372 L N -1.110 120.112 121.223 -0.002 0.000 2.425 372 L HA 0.130 4.470 4.340 -0.000 0.000 0.215 372 L C 1.909 178.776 176.870 -0.005 0.000 1.065 372 L CA 0.259 55.096 54.840 -0.005 0.000 0.842 372 L CB 0.068 42.119 42.059 -0.013 0.000 1.033 372 L HN 0.072 nan 8.230 nan 0.000 0.474 373 A N -0.084 122.733 122.820 -0.006 0.000 2.265 373 A HA 0.507 4.827 4.320 -0.000 0.000 0.226 373 A C 1.584 179.166 177.584 -0.004 0.000 1.937 373 A CA 0.720 52.753 52.037 -0.006 0.000 0.771 373 A CB -1.173 17.822 19.000 -0.008 0.000 1.421 373 A HN 0.224 nan 8.150 nan 0.000 0.570 374 G N -1.152 107.645 108.800 -0.004 0.000 3.286 374 G HA2 0.465 4.425 3.960 -0.000 0.000 0.173 374 G HA3 0.465 4.425 3.960 -0.000 0.000 0.173 374 G C 0.361 175.260 174.900 -0.002 0.000 1.704 374 G CA 0.260 45.358 45.100 -0.004 0.000 1.041 374 G HN 1.160 nan 8.290 nan 0.000 0.561 375 G N -2.133 106.665 108.800 -0.003 0.000 2.658 375 G HA2 0.522 4.482 3.960 -0.000 0.000 0.292 375 G HA3 0.522 4.482 3.960 -0.000 0.000 0.292 375 G C -1.763 173.136 174.900 -0.002 0.000 1.320 375 G CA -0.344 44.755 45.100 -0.001 0.000 0.933 375 G HN 0.607 nan 8.290 nan 0.000 0.476 376 V N 0.214 120.128 119.914 -0.000 0.000 2.459 376 V HA 0.763 4.883 4.120 -0.000 0.000 0.295 376 V C 0.311 176.402 176.094 -0.004 0.000 1.029 376 V CA -0.559 61.740 62.300 -0.002 0.000 0.874 376 V CB 1.183 33.009 31.823 0.004 0.000 0.985 376 V HN 1.158 nan 8.190 nan 0.000 0.438 377 A N 4.320 127.135 122.820 -0.007 0.000 2.365 377 A HA 0.901 5.221 4.320 -0.000 0.000 0.318 377 A C -1.075 176.504 177.584 -0.008 0.000 1.091 377 A CA -0.579 51.453 52.037 -0.008 0.000 0.763 377 A CB 1.886 20.880 19.000 -0.010 0.000 1.248 377 A HN 0.634 nan 8.150 nan 0.000 0.442 378 V N 3.281 123.191 119.914 -0.006 0.000 2.540 378 V HA 0.415 4.535 4.120 -0.000 0.000 0.302 378 V C -0.401 175.690 176.094 -0.005 0.000 1.035 378 V CA -0.260 62.037 62.300 -0.005 0.000 0.873 378 V CB 1.592 33.413 31.823 -0.003 0.000 0.992 378 V HN 0.799 nan 8.190 nan 0.000 0.428 379 I N 4.528 125.096 120.570 -0.004 0.000 2.392 379 I HA 0.431 4.601 4.170 -0.000 0.000 0.295 379 I C -0.063 176.054 176.117 0.001 0.000 0.985 379 I CA -0.490 60.809 61.300 -0.002 0.000 1.221 379 I CB 1.521 39.520 38.000 -0.003 0.000 1.366 379 I HN 0.511 nan 8.210 nan 0.000 0.467 380 K N 5.716 126.117 120.400 0.001 0.000 2.339 380 K HA 0.478 4.798 4.320 -0.000 0.000 0.264 380 K C -1.118 175.484 176.600 0.004 0.000 0.986 380 K CA -0.667 55.622 56.287 0.003 0.000 0.866 380 K CB 1.913 34.414 32.500 0.001 0.000 1.103 380 K HN 0.270 nan 8.250 nan 0.000 0.441 381 V N 2.138 122.056 119.914 0.006 0.000 2.488 381 V HA 0.319 4.439 4.120 -0.000 0.000 0.277 381 V C 0.826 176.923 176.094 0.006 0.000 1.046 381 V CA -0.785 61.519 62.300 0.007 0.000 0.986 381 V CB 1.061 32.889 31.823 0.010 0.000 0.989 381 V HN 0.884 nan 8.190 nan 0.000 0.475 382 G N 2.785 111.588 108.800 0.005 0.000 2.389 382 G HA2 0.748 4.708 3.960 -0.000 0.000 0.317 382 G HA3 0.748 4.708 3.960 -0.000 0.000 0.317 382 G C -0.519 174.384 174.900 0.004 0.000 1.137 382 G CA -0.020 45.082 45.100 0.004 0.000 0.870 382 G HN 1.302 nan 8.290 nan 0.000 0.496 383 A N 0.226 123.048 122.820 0.004 0.000 2.589 383 A HA 0.752 5.072 4.320 -0.000 0.000 0.296 383 A C 0.695 178.281 177.584 0.003 0.000 1.062 383 A CA 0.294 52.333 52.037 0.004 0.000 0.686 383 A CB 0.944 19.947 19.000 0.005 0.000 1.282 383 A HN 1.739 nan 8.150 nan 0.000 0.404 384 A N 0.643 123.465 122.820 0.002 0.000 1.898 384 A HA 0.330 4.650 4.320 -0.000 0.000 0.216 384 A C 1.434 179.020 177.584 0.003 0.000 1.181 384 A CA 2.458 54.496 52.037 0.002 0.000 0.620 384 A CB -0.731 18.270 19.000 0.001 0.000 0.819 384 A HN 1.831 nan 8.150 nan 0.000 0.442 385 T N -4.554 110.002 114.554 0.003 0.000 2.870 385 T HA 0.526 4.876 4.350 -0.000 0.000 0.277 385 T C 0.558 175.261 174.700 0.006 0.000 1.000 385 T CA -0.092 62.011 62.100 0.004 0.000 0.982 385 T CB 1.712 70.582 68.868 0.003 0.000 1.249 385 T HN 0.203 nan 8.240 nan 0.000 0.589 386 E N -0.459 119.745 120.200 0.007 0.000 2.216 386 E HA 0.005 4.355 4.350 -0.000 0.000 0.192 386 E C 2.191 178.797 176.600 0.010 0.000 0.973 386 E CA 0.486 56.892 56.400 0.010 0.000 0.851 386 E CB -0.021 29.686 29.700 0.012 0.000 0.804 386 E HN 0.552 nan 8.360 nan 0.000 0.477 387 V N 0.680 120.597 119.914 0.006 0.000 2.469 387 V HA -0.239 3.881 4.120 -0.000 0.000 0.251 387 V C 2.132 178.229 176.094 0.003 0.000 1.064 387 V CA 1.867 64.169 62.300 0.003 0.000 1.066 387 V CB -0.566 31.256 31.823 -0.002 0.000 0.667 387 V HN 0.206 nan 8.190 nan 0.000 0.461 388 E N -0.407 119.796 120.200 0.004 0.000 2.086 388 E HA -0.129 4.221 4.350 -0.000 0.000 0.190 388 E C 2.102 178.706 176.600 0.007 0.000 0.975 388 E CA 1.071 57.474 56.400 0.004 0.000 0.813 388 E CB -0.046 29.656 29.700 0.003 0.000 0.768 388 E HN 0.511 nan 8.360 nan 0.000 0.457 389 M N 1.638 121.243 119.600 0.008 0.000 2.065 389 M HA -0.205 4.275 4.480 -0.000 0.000 0.259 389 M C 1.909 178.217 176.300 0.014 0.000 1.069 389 M CA 1.770 57.077 55.300 0.011 0.000 1.110 389 M CB -0.170 32.437 32.600 0.012 0.000 1.328 389 M HN -0.137 nan 8.290 nan 0.000 0.405 390 K N -0.401 120.008 120.400 0.015 0.000 2.015 390 K HA -0.284 4.036 4.320 -0.000 0.000 0.216 390 K C 2.006 178.616 176.600 0.017 0.000 1.052 390 K CA 2.295 58.593 56.287 0.018 0.000 0.937 390 K CB -0.486 32.026 32.500 0.019 0.000 0.719 390 K HN 0.541 nan 8.250 nan 0.000 0.446 391 E N 1.496 121.703 120.200 0.012 0.000 2.031 391 E HA -0.239 4.111 4.350 -0.000 0.000 0.193 391 E C 1.915 178.522 176.600 0.012 0.000 0.994 391 E CA 1.934 58.340 56.400 0.010 0.000 0.800 391 E CB -0.157 29.546 29.700 0.005 0.000 0.752 391 E HN 0.096 nan 8.360 nan 0.000 0.447 392 K N 0.855 121.262 120.400 0.011 0.000 2.063 392 K HA -0.189 4.131 4.320 -0.000 0.000 0.208 392 K C 2.187 178.797 176.600 0.016 0.000 1.048 392 K CA 1.991 58.285 56.287 0.012 0.000 0.928 392 K CB -0.258 32.248 32.500 0.009 0.000 0.713 392 K HN 0.141 nan 8.250 nan 0.000 0.442 393 K N -0.339 120.071 120.400 0.018 0.000 2.009 393 K HA -0.162 4.158 4.320 -0.000 0.000 0.210 393 K C 2.021 178.639 176.600 0.030 0.000 1.049 393 K CA 1.489 57.790 56.287 0.022 0.000 0.929 393 K CB -0.415 32.099 32.500 0.023 0.000 0.714 393 K HN 0.253 nan 8.250 nan 0.000 0.440 394 A N 1.492 124.330 122.820 0.030 0.000 1.903 394 A HA -0.258 4.062 4.320 -0.000 0.000 0.219 394 A C 2.129 179.735 177.584 0.038 0.000 1.191 394 A CA 1.975 54.033 52.037 0.035 0.000 0.638 394 A CB -0.627 18.388 19.000 0.025 0.000 0.823 394 A HN 0.368 nan 8.150 nan 0.000 0.451 395 R N -0.885 119.633 120.500 0.028 0.000 2.070 395 R HA -0.094 4.246 4.340 -0.000 0.000 0.233 395 R C 2.103 178.426 176.300 0.038 0.000 1.137 395 R CA 1.561 57.679 56.100 0.029 0.000 0.945 395 R CB -0.723 29.588 30.300 0.019 0.000 0.845 395 R HN 0.409 nan 8.270 nan 0.000 0.430 396 V N 1.608 121.541 119.914 0.031 0.000 2.278 396 V HA -0.290 3.830 4.120 -0.000 0.000 0.251 396 V C 2.303 178.424 176.094 0.046 0.000 1.062 396 V CA 1.848 64.166 62.300 0.030 0.000 1.038 396 V CB -0.547 31.288 31.823 0.020 0.000 0.646 396 V HN 0.338 nan 8.190 nan 0.000 0.447 397 E N 0.078 120.316 120.200 0.063 0.000 2.033 397 E HA -0.304 4.046 4.350 -0.000 0.000 0.199 397 E C 2.053 178.781 176.600 0.214 0.000 1.011 397 E CA 1.989 58.454 56.400 0.109 0.000 0.815 397 E CB -0.510 29.260 29.700 0.117 0.000 0.755 397 E HN 0.692 nan 8.360 nan 0.000 0.451 398 D N -0.122 120.376 120.400 0.164 0.000 2.191 398 D HA -0.218 4.422 4.640 -0.000 0.000 0.190 398 D C 1.744 178.127 176.300 0.138 0.000 1.007 398 D CA 2.255 56.336 54.000 0.134 0.000 0.865 398 D CB -0.044 40.792 40.800 0.060 0.000 0.929 398 D HN 0.230 nan 8.370 nan 0.000 0.447 399 A N -0.235 122.640 122.820 0.091 0.000 1.935 399 A HA -0.010 4.310 4.320 -0.000 0.000 0.214 399 A C 2.102 179.720 177.584 0.057 0.000 1.178 399 A CA 0.353 52.428 52.037 0.064 0.000 0.640 399 A CB -0.572 18.450 19.000 0.037 0.000 0.825 399 A HN 0.327 nan 8.150 nan 0.000 0.447 400 L N -0.125 121.120 121.223 0.037 0.000 2.051 400 L HA -0.279 4.061 4.340 -0.000 0.000 0.214 400 L C 2.286 179.125 176.870 -0.052 0.000 1.076 400 L CA 2.675 57.499 54.840 -0.028 0.000 0.758 400 L CB -1.221 40.794 42.059 -0.073 0.000 0.890 400 L HN 0.575 nan 8.230 nan 0.000 0.433 401 H N -0.881 118.197 119.070 0.012 0.000 2.326 401 H HA -0.066 4.490 4.556 0.000 0.000 0.301 401 H C 2.205 177.542 175.328 0.015 0.000 1.081 401 H CA 1.767 57.824 56.048 0.015 0.000 1.334 401 H CB -0.067 29.705 29.762 0.017 0.000 1.385 401 H HN 0.470 nan 8.280 nan 0.000 0.504 402 A N 0.240 123.149 122.820 0.149 0.000 1.902 402 A HA -0.223 4.097 4.320 -0.000 0.000 0.217 402 A C 2.519 180.137 177.584 0.056 0.000 1.181 402 A CA 2.211 54.302 52.037 0.089 0.000 0.623 402 A CB -1.208 17.831 19.000 0.065 0.000 0.818 402 A HN 0.629 nan 8.150 nan 0.000 0.443 403 T N -1.647 112.931 114.554 0.039 0.000 2.684 403 T HA -0.222 4.128 4.350 -0.000 0.000 0.267 403 T C 1.877 176.587 174.700 0.017 0.000 1.036 403 T CA 1.307 63.419 62.100 0.021 0.000 1.148 403 T CB -0.531 68.342 68.868 0.009 0.000 0.863 403 T HN 0.447 nan 8.240 nan 0.000 0.436 404 R N 1.556 122.063 120.500 0.011 0.000 2.211 404 R HA 0.053 4.393 4.340 -0.000 0.000 0.240 404 R C 2.647 178.963 176.300 0.026 0.000 1.144 404 R CA 1.285 57.389 56.100 0.007 0.000 0.992 404 R CB -0.814 29.478 30.300 -0.013 0.000 0.869 404 R HN 0.666 nan 8.270 nan 0.000 0.462 405 A N 0.636 123.480 122.820 0.041 0.000 1.924 405 A HA 0.195 4.515 4.320 -0.000 0.000 0.211 405 A C 2.347 179.949 177.584 0.031 0.000 1.198 405 A CA 0.814 52.878 52.037 0.045 0.000 0.657 405 A CB -0.290 18.746 19.000 0.059 0.000 0.852 405 A HN 0.266 nan 8.150 nan 0.000 0.454 406 A N -0.219 122.618 122.820 0.028 0.000 1.892 406 A HA -0.094 4.226 4.320 -0.000 0.000 0.218 406 A C 2.189 179.782 177.584 0.016 0.000 1.188 406 A CA 2.037 54.086 52.037 0.020 0.000 0.631 406 A CB -0.986 18.024 19.000 0.018 0.000 0.822 406 A HN 0.399 nan 8.150 nan 0.000 0.447 407 V N 0.896 120.818 119.914 0.014 0.000 2.427 407 V HA -0.236 3.884 4.120 -0.000 0.000 0.248 407 V C 2.503 178.603 176.094 0.010 0.000 1.051 407 V CA 2.266 64.572 62.300 0.010 0.000 1.048 407 V CB -0.767 31.060 31.823 0.006 0.000 0.666 407 V HN 0.927 nan 8.190 nan 0.000 0.456 408 E N -0.282 119.926 120.200 0.013 0.000 2.318 408 E HA -0.117 4.233 4.350 -0.000 0.000 0.193 408 E C 1.773 178.381 176.600 0.013 0.000 0.998 408 E CA 1.007 57.415 56.400 0.013 0.000 0.859 408 E CB 0.069 29.778 29.700 0.016 0.000 0.812 408 E HN 0.634 nan 8.360 nan 0.000 0.492 409 E N 0.111 120.320 120.200 0.015 0.000 2.606 409 E HA 0.224 4.574 4.350 -0.000 0.000 0.224 409 E C 0.229 176.836 176.600 0.011 0.000 0.930 409 E CA 0.376 56.783 56.400 0.013 0.000 1.125 409 E CB 1.163 30.872 29.700 0.015 0.000 1.123 409 E HN 0.335 nan 8.360 nan 0.000 0.522 410 G N 0.224 109.031 108.800 0.012 0.000 2.610 410 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.304 410 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.304 410 G C -0.580 174.327 174.900 0.013 0.000 1.309 410 G CA -0.545 44.562 45.100 0.011 0.000 0.906 410 G HN 0.657 nan 8.290 nan 0.000 0.521 411 V N -2.806 117.116 119.914 0.012 0.000 3.040 411 V HA 1.003 5.123 4.120 -0.000 0.000 0.312 411 V C 0.574 176.676 176.094 0.014 0.000 1.115 411 V CA 0.085 62.394 62.300 0.013 0.000 0.998 411 V CB 1.153 32.984 31.823 0.013 0.000 1.042 411 V HN 2.534 nan 8.190 nan 0.000 0.433 412 V N -1.361 118.562 119.914 0.015 0.000 3.165 412 V HA 1.026 5.146 4.120 -0.000 0.000 0.309 412 V C 0.162 176.267 176.094 0.019 0.000 1.267 412 V CA -0.667 61.644 62.300 0.017 0.000 1.067 412 V CB 1.395 33.227 31.823 0.016 0.000 1.082 412 V HN 2.067 nan 8.190 nan 0.000 0.451 413 A N 0.787 123.620 122.820 0.023 0.000 2.354 413 A HA 0.770 5.090 4.320 -0.000 0.000 0.281 413 A C 0.762 178.359 177.584 0.021 0.000 1.174 413 A CA 0.401 52.453 52.037 0.024 0.000 0.828 413 A CB -0.246 18.774 19.000 0.034 0.000 1.099 413 A HN 1.988 nan 8.150 nan 0.000 0.516 414 G N 0.898 109.707 108.800 0.015 0.000 2.525 414 G HA2 0.488 4.448 3.960 -0.000 0.000 0.276 414 G HA3 0.488 4.448 3.960 -0.000 0.000 0.276 414 G C 1.159 176.069 174.900 0.018 0.000 1.388 414 G CA 0.062 45.170 45.100 0.014 0.000 1.050 414 G HN 2.224 nan 8.290 nan 0.000 0.520 415 G N -2.372 106.439 108.800 0.019 0.000 2.153 415 G HA2 0.220 4.180 3.960 -0.000 0.000 0.252 415 G HA3 0.220 4.180 3.960 -0.000 0.000 0.252 415 G C 1.449 176.373 174.900 0.040 0.000 0.994 415 G CA 1.064 46.183 45.100 0.032 0.000 0.698 415 G HN 2.541 nan 8.290 nan 0.000 0.521 416 G N -2.254 106.564 108.800 0.031 0.000 2.160 416 G HA2 -0.056 3.904 3.960 -0.000 0.000 0.251 416 G HA3 -0.056 3.904 3.960 -0.000 0.000 0.251 416 G C 1.662 176.582 174.900 0.034 0.000 1.008 416 G CA 1.603 46.721 45.100 0.030 0.000 0.724 416 G HN 2.059 nan 8.290 nan 0.000 0.514 417 V N -0.142 119.794 119.914 0.036 0.000 2.323 417 V HA 0.214 4.334 4.120 -0.000 0.000 0.244 417 V C 2.930 179.047 176.094 0.038 0.000 1.041 417 V CA 2.599 64.925 62.300 0.043 0.000 1.025 417 V CB -0.624 31.229 31.823 0.049 0.000 0.656 417 V HN 1.450 nan 8.190 nan 0.000 0.451 418 A N 0.213 123.052 122.820 0.032 0.000 1.884 418 A HA -0.230 4.090 4.320 -0.000 0.000 0.219 418 A C 2.181 179.779 177.584 0.023 0.000 1.197 418 A CA 2.523 54.577 52.037 0.027 0.000 0.637 418 A CB -0.958 18.055 19.000 0.021 0.000 0.827 418 A HN 0.549 nan 8.150 nan 0.000 0.450 419 L N -0.954 120.281 121.223 0.021 0.000 2.046 419 L HA -0.073 4.267 4.340 -0.000 0.000 0.208 419 L C 2.355 179.237 176.870 0.020 0.000 1.077 419 L CA 1.656 56.506 54.840 0.017 0.000 0.747 419 L CB -0.788 41.280 42.059 0.015 0.000 0.896 419 L HN 0.487 nan 8.230 nan 0.000 0.432 420 I N -1.225 119.361 120.570 0.026 0.000 2.361 420 I HA -0.282 3.888 4.170 -0.000 0.000 0.251 420 I C 2.491 178.626 176.117 0.030 0.000 1.133 420 I CA 0.901 62.218 61.300 0.028 0.000 1.413 420 I CB -0.129 37.892 38.000 0.035 0.000 1.073 420 I HN 0.215 nan 8.210 nan 0.000 0.424 421 R N -0.184 120.335 120.500 0.033 0.000 2.057 421 R HA -0.073 4.267 4.340 -0.000 0.000 0.229 421 R C 2.362 178.676 176.300 0.022 0.000 1.136 421 R CA 1.696 57.815 56.100 0.032 0.000 0.952 421 R CB -1.372 28.950 30.300 0.037 0.000 0.848 421 R HN 0.439 nan 8.270 nan 0.000 0.430 422 V N 0.670 120.594 119.914 0.018 0.000 2.594 422 V HA -0.112 4.008 4.120 -0.000 0.000 0.253 422 V C 2.155 178.255 176.094 0.011 0.000 1.069 422 V CA 2.010 64.317 62.300 0.012 0.000 1.082 422 V CB -0.677 31.150 31.823 0.008 0.000 0.680 422 V HN 0.240 nan 8.190 nan 0.000 0.469 423 A N 1.226 124.053 122.820 0.012 0.000 1.940 423 A HA -0.167 4.153 4.320 -0.000 0.000 0.219 423 A C 2.533 180.123 177.584 0.011 0.000 1.176 423 A CA 2.567 54.610 52.037 0.011 0.000 0.631 423 A CB -0.957 18.050 19.000 0.012 0.000 0.814 423 A HN 1.024 nan 8.150 nan 0.000 0.446 424 S N -0.757 114.951 115.700 0.013 0.000 2.470 424 S HA 0.018 4.488 4.470 -0.000 0.000 0.225 424 S C 1.652 176.258 174.600 0.009 0.000 1.006 424 S CA 0.951 59.158 58.200 0.012 0.000 0.934 424 S CB -0.117 63.092 63.200 0.015 0.000 0.778 424 S HN 0.569 nan 8.310 nan 0.000 0.517 425 K N 1.056 121.462 120.400 0.010 0.000 2.211 425 K HA 0.185 4.505 4.320 -0.000 0.000 0.203 425 K C 1.146 177.749 176.600 0.005 0.000 1.050 425 K CA 0.910 57.202 56.287 0.007 0.000 0.945 425 K CB -0.255 32.250 32.500 0.008 0.000 0.732 425 K HN 0.409 nan 8.250 nan 0.000 0.451 426 L N -0.392 120.834 121.223 0.005 0.000 2.700 426 L HA 0.237 4.577 4.340 -0.000 0.000 0.234 426 L C 1.717 178.589 176.870 0.003 0.000 1.156 426 L CA -0.288 54.554 54.840 0.003 0.000 0.946 426 L CB 0.120 42.181 42.059 0.003 0.000 1.216 426 L HN 0.044 nan 8.230 nan 0.000 0.493 427 A N 0.086 122.908 122.820 0.004 0.000 2.084 427 A HA -0.209 4.111 4.320 -0.000 0.000 0.221 427 A C 1.535 179.120 177.584 0.002 0.000 1.161 427 A CA 1.783 53.822 52.037 0.003 0.000 0.653 427 A CB -0.240 18.762 19.000 0.004 0.000 0.802 427 A HN 0.345 nan 8.150 nan 0.000 0.457 428 D N -1.417 118.984 120.400 0.002 0.000 2.369 428 D HA 0.197 4.837 4.640 -0.000 0.000 0.211 428 D C -0.029 176.271 176.300 0.001 0.000 1.077 428 D CA -0.284 53.717 54.000 0.001 0.000 0.842 428 D CB 0.040 40.841 40.800 0.001 0.000 0.947 428 D HN 0.281 nan 8.370 nan 0.000 0.509 429 L N 1.621 122.845 121.223 0.001 0.000 2.453 429 L HA 0.167 4.507 4.340 -0.000 0.000 0.272 429 L C 0.319 177.190 176.870 0.001 0.000 1.182 429 L CA 0.604 55.444 54.840 0.001 0.000 0.858 429 L CB 0.152 42.212 42.059 0.001 0.000 1.120 429 L HN -0.166 nan 8.230 nan 0.000 0.474 430 R N 2.598 123.099 120.500 0.001 0.000 2.836 430 R HA 0.692 5.032 4.340 -0.000 0.000 0.269 430 R C -0.429 175.871 176.300 0.001 0.000 1.010 430 R CA -0.591 55.510 56.100 0.001 0.000 0.930 430 R CB 1.630 31.931 30.300 0.001 0.000 1.218 430 R HN 0.792 nan 8.270 nan 0.000 0.473 431 G N -0.368 108.433 108.800 0.002 0.000 2.887 431 G HA2 0.211 4.171 3.960 -0.000 0.000 0.277 431 G HA3 0.211 4.171 3.960 -0.000 0.000 0.277 431 G C 0.187 175.088 174.900 0.002 0.000 1.346 431 G CA -0.447 44.654 45.100 0.002 0.000 1.058 431 G HN 0.490 nan 8.290 nan 0.000 0.535 432 Q N -0.298 119.503 119.800 0.002 0.000 2.439 432 Q HA 0.025 4.365 4.340 -0.000 0.000 0.211 432 Q C 0.395 176.396 176.000 0.002 0.000 0.978 432 Q CA 0.967 56.771 55.803 0.002 0.000 0.897 432 Q CB -0.219 28.521 28.738 0.002 0.000 0.956 432 Q HN 0.540 nan 8.270 nan 0.000 0.483 433 N N -1.478 117.223 118.700 0.002 0.000 3.043 433 N HA -0.032 4.708 4.740 -0.000 0.000 0.243 433 N C -0.212 175.299 175.510 0.002 0.000 1.347 433 N CA -0.393 52.658 53.050 0.002 0.000 0.896 433 N CB 1.024 39.512 38.487 0.002 0.000 1.501 433 N HN -0.144 nan 8.380 nan 0.000 0.504 434 E N 0.606 120.807 120.200 0.002 0.000 2.085 434 E HA -0.166 4.184 4.350 -0.000 0.000 0.194 434 E C 0.487 177.089 176.600 0.002 0.000 0.994 434 E CA 1.984 58.385 56.400 0.002 0.000 0.801 434 E CB -0.235 29.466 29.700 0.001 0.000 0.743 434 E HN 0.589 nan 8.360 nan 0.000 0.453 435 D N 0.260 120.661 120.400 0.003 0.000 2.127 435 D HA -0.227 4.413 4.640 -0.000 0.000 0.190 435 D C 1.971 178.273 176.300 0.004 0.000 1.000 435 D CA 1.521 55.523 54.000 0.003 0.000 0.839 435 D CB -0.475 40.328 40.800 0.004 0.000 0.955 435 D HN 0.357 nan 8.370 nan 0.000 0.446 436 Q N -0.163 119.639 119.800 0.004 0.000 2.197 436 Q HA -0.166 4.174 4.340 -0.000 0.000 0.207 436 Q C 1.810 177.811 176.000 0.003 0.000 0.984 436 Q CA 1.022 56.827 55.803 0.004 0.000 0.869 436 Q CB -0.012 28.728 28.738 0.003 0.000 0.906 436 Q HN 0.272 nan 8.270 nan 0.000 0.426 437 N N -0.458 118.244 118.700 0.003 0.000 2.142 437 N HA -0.112 4.628 4.740 -0.000 0.000 0.186 437 N C 1.803 177.315 175.510 0.003 0.000 1.023 437 N CA 0.977 54.029 53.050 0.002 0.000 0.852 437 N CB -0.334 38.154 38.487 0.002 0.000 0.998 437 N HN 0.047 nan 8.380 nan 0.000 0.424 438 V N 1.029 120.944 119.914 0.003 0.000 2.287 438 V HA -0.178 3.942 4.120 -0.000 0.000 0.248 438 V C 2.463 178.559 176.094 0.004 0.000 1.053 438 V CA 2.079 64.381 62.300 0.003 0.000 1.027 438 V CB -1.338 30.487 31.823 0.003 0.000 0.646 438 V HN 0.343 nan 8.190 nan 0.000 0.447 439 G N -0.023 108.780 108.800 0.004 0.000 2.476 439 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.218 439 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.218 439 G C 1.580 176.483 174.900 0.005 0.000 1.164 439 G CA 1.331 46.434 45.100 0.005 0.000 0.768 439 G HN 0.492 nan 8.290 nan 0.000 0.560 440 I N 0.096 120.668 120.570 0.004 0.000 2.163 440 I HA -0.158 4.012 4.170 -0.000 0.000 0.243 440 I C 2.758 178.877 176.117 0.004 0.000 1.085 440 I CA 1.370 62.672 61.300 0.003 0.000 1.347 440 I CB -0.118 37.883 38.000 0.002 0.000 1.044 440 I HN 0.024 nan 8.210 nan 0.000 0.408 441 K N 0.428 120.830 120.400 0.004 0.000 2.209 441 K HA -0.085 4.235 4.320 -0.000 0.000 0.204 441 K C 1.907 178.509 176.600 0.004 0.000 1.048 441 K CA 0.801 57.090 56.287 0.004 0.000 0.940 441 K CB -0.472 32.030 32.500 0.003 0.000 0.729 441 K HN 0.098 nan 8.250 nan 0.000 0.451 442 V N 0.259 120.176 119.914 0.005 0.000 2.343 442 V HA -0.279 3.841 4.120 -0.000 0.000 0.247 442 V C 2.087 178.185 176.094 0.006 0.000 1.051 442 V CA 2.130 64.433 62.300 0.006 0.000 1.036 442 V CB -0.489 31.338 31.823 0.007 0.000 0.654 442 V HN 0.411 nan 8.190 nan 0.000 0.451 443 A N -0.744 122.079 122.820 0.006 0.000 1.930 443 A HA -0.019 4.300 4.320 -0.000 0.000 0.215 443 A C 2.122 179.709 177.584 0.005 0.000 1.176 443 A CA 1.149 53.189 52.037 0.006 0.000 0.632 443 A CB -0.379 18.623 19.000 0.004 0.000 0.819 443 A HN 0.490 nan 8.150 nan 0.000 0.445 444 L N -1.037 120.189 121.223 0.005 0.000 2.042 444 L HA -0.197 4.143 4.340 -0.000 0.000 0.210 444 L C 2.798 179.672 176.870 0.007 0.000 1.076 444 L CA 1.662 56.505 54.840 0.006 0.000 0.749 444 L CB -0.606 41.456 42.059 0.005 0.000 0.893 444 L HN 0.389 nan 8.230 nan 0.000 0.432 445 R N 0.131 120.635 120.500 0.006 0.000 2.083 445 R HA -0.175 4.165 4.340 -0.000 0.000 0.237 445 R C 2.438 178.743 176.300 0.007 0.000 1.137 445 R CA 1.570 57.674 56.100 0.007 0.000 0.951 445 R CB -0.340 29.963 30.300 0.006 0.000 0.851 445 R HN 0.377 nan 8.270 nan 0.000 0.434 446 A N 0.459 123.284 122.820 0.008 0.000 1.978 446 A HA -0.203 4.117 4.320 -0.000 0.000 0.220 446 A C 2.087 179.677 177.584 0.010 0.000 1.170 446 A CA 1.421 53.463 52.037 0.009 0.000 0.636 446 A CB -0.435 18.571 19.000 0.010 0.000 0.810 446 A HN 0.319 nan 8.150 nan 0.000 0.448 447 M N -0.382 119.223 119.600 0.009 0.000 2.426 447 M HA -0.199 4.281 4.480 -0.000 0.000 0.261 447 M C 1.447 177.755 176.300 0.013 0.000 1.068 447 M CA 1.367 56.674 55.300 0.011 0.000 1.066 447 M CB -0.264 32.342 32.600 0.009 0.000 1.399 447 M HN 0.485 nan 8.290 nan 0.000 0.449 448 E N -0.632 119.575 120.200 0.012 0.000 2.482 448 E HA -0.043 4.307 4.350 -0.000 0.000 0.196 448 E C 1.854 178.461 176.600 0.012 0.000 1.047 448 E CA 0.449 56.856 56.400 0.013 0.000 0.869 448 E CB 0.033 29.739 29.700 0.010 0.000 0.836 448 E HN 0.543 nan 8.360 nan 0.000 0.520 449 A N 2.185 125.012 122.820 0.012 0.000 1.855 449 A HA -0.068 4.252 4.320 -0.000 0.000 0.215 449 A C -0.319 177.272 177.584 0.013 0.000 1.191 449 A CA 0.851 52.894 52.037 0.011 0.000 0.613 449 A CB -1.310 17.697 19.000 0.011 0.000 0.829 449 A HN 0.109 nan 8.150 nan 0.000 0.442 450 P HA -0.178 nan 4.420 nan 0.000 0.216 450 P C 1.769 179.082 177.300 0.021 0.000 1.153 450 P CA 0.972 64.084 63.100 0.018 0.000 0.858 450 P CB -0.105 31.607 31.700 0.020 0.000 0.789 451 L N -1.098 120.138 121.223 0.023 0.000 2.056 451 L HA -0.141 4.199 4.340 -0.000 0.000 0.207 451 L C 2.454 179.333 176.870 0.015 0.000 1.078 451 L CA 1.624 56.480 54.840 0.028 0.000 0.749 451 L CB -0.217 41.860 42.059 0.031 0.000 0.901 451 L HN -0.216 nan 8.230 nan 0.000 0.433 452 R N -0.746 119.757 120.500 0.006 0.000 2.096 452 R HA -0.160 4.180 4.340 -0.000 0.000 0.235 452 R C 2.376 178.675 176.300 -0.001 0.000 1.127 452 R CA 1.348 57.446 56.100 -0.004 0.000 0.968 452 R CB -0.156 30.141 30.300 -0.004 0.000 0.861 452 R HN 0.425 nan 8.270 nan 0.000 0.440 453 Q N 0.131 119.935 119.800 0.007 0.000 2.137 453 Q HA -0.027 4.313 4.340 -0.000 0.000 0.198 453 Q C 2.155 178.164 176.000 0.015 0.000 0.960 453 Q CA 1.020 56.829 55.803 0.009 0.000 0.847 453 Q CB 0.086 28.830 28.738 0.010 0.000 0.915 453 Q HN 0.415 nan 8.270 nan 0.000 0.448 454 I N 0.093 120.677 120.570 0.023 0.000 2.194 454 I HA -0.287 3.883 4.170 -0.000 0.000 0.246 454 I C 2.247 178.392 176.117 0.046 0.000 1.093 454 I CA 1.119 62.441 61.300 0.037 0.000 1.355 454 I CB -0.380 37.651 38.000 0.051 0.000 1.046 454 I HN 0.006 nan 8.210 nan 0.000 0.413 455 V N 0.391 120.323 119.914 0.031 0.000 2.379 455 V HA -0.235 3.885 4.120 -0.000 0.000 0.245 455 V C 2.328 178.423 176.094 0.002 0.000 1.044 455 V CA 1.260 63.566 62.300 0.010 0.000 1.036 455 V CB -0.401 31.376 31.823 -0.077 0.000 0.664 455 V HN 0.306 nan 8.190 nan 0.000 0.453 456 L N 0.582 121.803 121.223 -0.003 0.000 2.141 456 L HA -0.108 4.232 4.340 -0.000 0.000 0.209 456 L C 1.970 178.843 176.870 0.006 0.000 1.094 456 L CA 1.837 56.676 54.840 -0.003 0.000 0.763 456 L CB -1.053 41.004 42.059 -0.003 0.000 0.908 456 L HN 0.393 nan 8.230 nan 0.000 0.437 457 N N -2.195 116.512 118.700 0.012 0.000 2.453 457 N HA -0.149 4.591 4.740 -0.000 0.000 0.183 457 N C 1.302 176.822 175.510 0.017 0.000 1.041 457 N CA 0.979 54.037 53.050 0.013 0.000 0.900 457 N CB -0.079 38.416 38.487 0.014 0.000 0.961 457 N HN 0.379 nan 8.380 nan 0.000 0.443 458 C N -0.131 119.184 119.300 0.026 0.000 2.791 458 C HA 0.267 4.727 4.460 -0.000 0.000 0.270 458 C C 1.658 176.662 174.990 0.023 0.000 1.257 458 C CA -0.155 58.883 59.018 0.033 0.000 1.699 458 C CB -0.872 26.909 27.740 0.068 0.000 1.904 458 C HN 0.604 nan 8.230 nan 0.000 0.603 459 G N 1.808 110.616 108.800 0.013 0.000 2.179 459 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.257 459 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.257 459 G C -0.221 174.681 174.900 0.003 0.000 1.010 459 G CA 0.608 45.712 45.100 0.006 0.000 0.736 459 G HN 0.634 nan 8.290 nan 0.000 0.513 460 E N -0.297 119.901 120.200 -0.002 0.000 2.390 460 E HA 0.547 4.897 4.350 -0.000 0.000 0.249 460 E C -0.019 176.556 176.600 -0.042 0.000 0.981 460 E CA -0.872 55.516 56.400 -0.021 0.000 0.860 460 E CB 0.856 30.535 29.700 -0.033 0.000 1.278 460 E HN 0.426 nan 8.360 nan 0.000 0.416 461 E N 1.587 121.754 120.200 -0.055 0.000 2.044 461 E HA 0.108 4.458 4.350 -0.000 0.000 0.282 461 E C -2.004 174.555 176.600 -0.067 0.000 1.031 461 E CA -1.712 54.660 56.400 -0.046 0.000 0.824 461 E CB 0.823 30.505 29.700 -0.030 0.000 1.076 461 E HN 0.222 nan 8.360 nan 0.000 0.395 462 P HA -0.212 nan 4.420 nan 0.000 0.217 462 P C 1.149 178.419 177.300 -0.050 0.000 1.148 462 P CA 1.307 64.373 63.100 -0.056 0.000 0.828 462 P CB 0.197 31.879 31.700 -0.031 0.000 0.783 463 S N -2.404 113.275 115.700 -0.036 0.000 2.524 463 S HA 0.044 4.514 4.470 -0.000 0.000 0.216 463 S C 1.853 176.437 174.600 -0.026 0.000 0.987 463 S CA 0.136 58.321 58.200 -0.025 0.000 0.909 463 S CB -1.041 62.150 63.200 -0.016 0.000 0.781 463 S HN -0.046 nan 8.310 nan 0.000 0.521 464 V N 1.385 121.278 119.914 -0.036 0.000 2.379 464 V HA -0.034 4.086 4.120 -0.000 0.000 0.243 464 V C 2.474 178.548 176.094 -0.033 0.000 1.035 464 V CA 1.073 63.356 62.300 -0.028 0.000 1.035 464 V CB -0.354 31.454 31.823 -0.023 0.000 0.673 464 V HN 0.385 nan 8.190 nan 0.000 0.457 465 V N 0.417 120.278 119.914 -0.087 0.000 2.237 465 V HA -0.267 3.853 4.120 -0.000 0.000 0.245 465 V C 2.767 178.841 176.094 -0.033 0.000 1.046 465 V CA 2.186 64.415 62.300 -0.118 0.000 1.007 465 V CB -1.169 30.399 31.823 -0.425 0.000 0.638 465 V HN 0.549 nan 8.190 nan 0.000 0.445 466 A N 0.313 123.109 122.820 -0.040 0.000 1.903 466 A HA -0.345 3.975 4.320 -0.000 0.000 0.219 466 A C 2.022 179.610 177.584 0.006 0.000 1.191 466 A CA 2.585 54.619 52.037 -0.005 0.000 0.638 466 A CB -0.947 18.049 19.000 -0.008 0.000 0.823 466 A HN 0.622 nan 8.150 nan 0.000 0.451 467 N N -0.345 118.352 118.700 -0.005 0.000 2.018 467 N HA -0.164 4.576 4.740 -0.000 0.000 0.196 467 N C 2.063 177.571 175.510 -0.003 0.000 1.043 467 N CA 2.649 55.697 53.050 -0.003 0.000 0.856 467 N CB -1.002 37.479 38.487 -0.011 0.000 1.042 467 N HN 0.737 nan 8.380 nan 0.000 0.423 468 T N -1.523 113.015 114.554 -0.026 0.000 2.788 468 T HA -0.053 4.297 4.350 -0.000 0.000 0.268 468 T C 2.012 176.733 174.700 0.035 0.000 1.044 468 T CA 1.236 63.295 62.100 -0.068 0.000 1.139 468 T CB -0.727 67.986 68.868 -0.258 0.000 0.867 468 T HN -0.034 nan 8.240 nan 0.000 0.454 469 V N 1.418 121.363 119.914 0.053 0.000 2.515 469 V HA -0.073 4.047 4.120 -0.000 0.000 0.250 469 V C 2.822 179.001 176.094 0.142 0.000 1.058 469 V CA 1.701 64.067 62.300 0.111 0.000 1.064 469 V CB -0.589 31.283 31.823 0.081 0.000 0.675 469 V HN 0.507 nan 8.190 nan 0.000 0.461 470 K N 0.333 120.780 120.400 0.077 0.000 2.057 470 K HA -0.059 4.261 4.320 -0.000 0.000 0.206 470 K C 2.189 178.825 176.600 0.059 0.000 1.050 470 K CA 1.224 57.547 56.287 0.060 0.000 0.935 470 K CB -0.596 31.923 32.500 0.032 0.000 0.715 470 K HN 0.539 nan 8.250 nan 0.000 0.439 471 G N 0.775 109.603 108.800 0.047 0.000 2.527 471 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.219 471 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.219 471 G C 0.727 175.621 174.900 -0.009 0.000 1.117 471 G CA 0.888 45.996 45.100 0.013 0.000 0.759 471 G HN 0.383 nan 8.290 nan 0.000 0.556 472 G N -1.184 107.652 108.800 0.060 0.000 2.695 472 G HA2 0.527 4.487 3.960 -0.000 0.000 0.213 472 G HA3 0.527 4.487 3.960 -0.000 0.000 0.213 472 G C -1.222 173.691 174.900 0.021 0.000 1.406 472 G CA -0.333 44.745 45.100 -0.037 0.000 1.049 472 G HN 0.113 nan 8.290 nan 0.000 0.573 473 D N -2.690 117.731 120.400 0.036 0.000 2.602 473 D HA 0.503 5.143 4.640 -0.000 0.000 0.236 473 D C 0.965 177.309 176.300 0.074 0.000 1.209 473 D CA 0.608 54.626 54.000 0.030 0.000 0.831 473 D CB 1.571 42.357 40.800 -0.024 0.000 1.478 473 D HN 0.798 nan 8.370 nan 0.000 0.438 474 G N 1.478 110.309 108.800 0.053 0.000 2.700 474 G HA2 -0.395 3.565 3.960 -0.000 0.000 0.350 474 G HA3 -0.395 3.565 3.960 -0.000 0.000 0.350 474 G C 0.476 175.430 174.900 0.090 0.000 1.250 474 G CA 0.949 46.084 45.100 0.059 0.000 0.978 474 G HN 0.655 nan 8.290 nan 0.000 0.551 475 N N -0.335 118.427 118.700 0.103 0.000 2.279 475 N HA 0.266 5.006 4.740 -0.000 0.000 0.226 475 N C -0.212 175.399 175.510 0.167 0.000 1.126 475 N CA -0.345 52.770 53.050 0.108 0.000 0.846 475 N CB 0.406 38.938 38.487 0.075 0.000 1.050 475 N HN 0.427 nan 8.380 nan 0.000 0.502 476 Y N 1.678 122.007 120.300 0.048 0.000 2.526 476 Y HA 0.358 4.907 4.550 -0.000 0.000 0.330 476 Y C 0.593 176.556 175.900 0.105 0.000 1.156 476 Y CA 0.113 58.256 58.100 0.071 0.000 1.419 476 Y CB 0.316 38.809 38.460 0.055 0.000 1.250 476 Y HN 0.025 nan 8.280 nan 0.000 0.540 477 G N 4.107 112.781 108.800 -0.209 0.000 2.645 477 G HA2 0.288 4.248 3.960 -0.000 0.000 0.292 477 G HA3 0.288 4.248 3.960 -0.000 0.000 0.292 477 G C -2.465 172.373 174.900 -0.102 0.000 1.415 477 G CA -0.947 44.070 45.100 -0.139 0.000 0.785 477 G HN 0.540 nan 8.290 nan 0.000 0.483 478 Y N 1.523 121.740 120.300 -0.138 0.000 2.326 478 Y HA 0.541 5.091 4.550 0.000 0.000 0.337 478 Y C 0.090 175.874 175.900 -0.194 0.000 1.023 478 Y CA -1.370 56.593 58.100 -0.228 0.000 1.143 478 Y CB 1.402 39.746 38.460 -0.193 0.000 1.183 478 Y HN 0.416 nan 8.280 nan 0.000 0.485 479 N N 4.990 123.231 118.700 -0.766 0.000 2.521 479 N HA 0.180 4.920 4.740 -0.000 0.000 0.236 479 N C 0.432 175.378 175.510 -0.940 0.000 1.067 479 N CA 0.527 53.209 53.050 -0.614 0.000 0.939 479 N CB 1.210 39.455 38.487 -0.404 0.000 1.201 479 N HN 0.913 nan 8.380 nan 0.000 0.511 480 A N 3.759 126.215 122.820 -0.606 0.000 1.972 480 A HA -0.075 4.245 4.320 -0.000 0.000 0.219 480 A C 2.040 179.477 177.584 -0.244 0.000 1.169 480 A CA 1.759 53.584 52.037 -0.354 0.000 0.635 480 A CB -0.496 18.492 19.000 -0.019 0.000 0.810 480 A HN 0.696 nan 8.150 nan 0.000 0.446 481 A N -0.512 122.181 122.820 -0.211 0.000 1.930 481 A HA -0.022 4.298 4.320 -0.000 0.000 0.217 481 A C 2.201 179.691 177.584 -0.157 0.000 1.175 481 A CA 2.152 54.105 52.037 -0.139 0.000 0.627 481 A CB -0.892 18.047 19.000 -0.103 0.000 0.815 481 A HN 0.805 nan 8.150 nan 0.000 0.443 482 T N -1.818 112.601 114.554 -0.225 0.000 3.105 482 T HA 0.196 4.546 4.350 -0.000 0.000 0.253 482 T C 0.277 174.843 174.700 -0.223 0.000 1.047 482 T CA 0.546 62.536 62.100 -0.183 0.000 0.944 482 T CB -0.461 68.314 68.868 -0.155 0.000 1.016 482 T HN 0.664 nan 8.240 nan 0.000 0.544 483 E N 1.731 121.735 120.200 -0.327 0.000 2.216 483 E HA -0.272 4.078 4.350 -0.000 0.000 0.219 483 E C -0.458 175.933 176.600 -0.348 0.000 1.317 483 E CA 0.963 57.148 56.400 -0.357 0.000 0.716 483 E CB -2.242 27.436 29.700 -0.037 0.000 1.135 483 E HN 0.950 nan 8.360 nan 0.000 0.359 484 E N -0.632 119.274 120.200 -0.489 0.000 2.367 484 E HA 0.516 4.866 4.350 -0.000 0.000 0.273 484 E C -0.744 175.610 176.600 -0.410 0.000 0.903 484 E CA -1.108 55.087 56.400 -0.342 0.000 0.764 484 E CB 0.838 30.478 29.700 -0.100 0.000 1.252 484 E HN 0.104 nan 8.360 nan 0.000 0.446 485 Y N 0.290 120.577 120.300 -0.022 0.000 2.299 485 Y HA 0.564 5.114 4.550 -0.000 0.000 0.335 485 Y C 1.184 177.056 175.900 -0.046 0.000 1.287 485 Y CA 1.022 59.066 58.100 -0.094 0.000 1.424 485 Y CB 1.362 39.774 38.460 -0.079 0.000 1.326 485 Y HN 0.835 nan 8.280 nan 0.000 0.567 486 G N 0.411 109.257 108.800 0.077 0.000 2.317 486 G HA2 0.009 3.969 3.960 -0.000 0.000 0.293 486 G HA3 0.009 3.969 3.960 -0.000 0.000 0.293 486 G C -1.957 173.034 174.900 0.152 0.000 1.287 486 G CA -1.200 43.995 45.100 0.158 0.000 0.850 486 G HN 0.549 nan 8.290 nan 0.000 0.515 487 N N 1.052 119.834 118.700 0.138 0.000 2.411 487 N HA 0.117 4.857 4.740 -0.000 0.000 0.259 487 N C 1.776 177.319 175.510 0.054 0.000 1.103 487 N CA -0.477 52.642 53.050 0.114 0.000 0.954 487 N CB 0.813 39.356 38.487 0.094 0.000 1.085 487 N HN 0.420 nan 8.380 nan 0.000 0.485 488 M N 3.434 123.060 119.600 0.043 0.000 2.159 488 M HA -0.160 4.320 4.480 -0.000 0.000 0.263 488 M C 1.564 177.872 176.300 0.014 0.000 1.063 488 M CA 1.023 56.331 55.300 0.013 0.000 1.110 488 M CB -0.532 32.075 32.600 0.012 0.000 1.374 488 M HN 0.518 nan 8.290 nan 0.000 0.411 489 I N 0.851 121.435 120.570 0.025 0.000 2.252 489 I HA -0.251 3.919 4.170 -0.000 0.000 0.245 489 I C 1.938 178.064 176.117 0.014 0.000 1.102 489 I CA 1.453 62.764 61.300 0.019 0.000 1.385 489 I CB -1.430 36.584 38.000 0.022 0.000 1.064 489 I HN 0.253 nan 8.210 nan 0.000 0.414 490 D N 0.659 121.071 120.400 0.020 0.000 2.144 490 D HA -0.154 4.486 4.640 -0.000 0.000 0.199 490 D C 2.166 178.469 176.300 0.006 0.000 0.984 490 D CA 1.165 55.175 54.000 0.016 0.000 0.834 490 D CB -0.132 40.682 40.800 0.024 0.000 0.955 490 D HN 0.349 nan 8.370 nan 0.000 0.465 491 M N -0.565 119.035 119.600 0.001 0.000 2.618 491 M HA 0.144 4.624 4.480 -0.000 0.000 0.240 491 M C 1.069 177.359 176.300 -0.018 0.000 1.123 491 M CA 0.524 55.815 55.300 -0.015 0.000 1.060 491 M CB 0.321 32.902 32.600 -0.032 0.000 1.535 491 M HN 0.029 nan 8.290 nan 0.000 0.507 492 G N 2.233 111.028 108.800 -0.008 0.000 2.160 492 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.251 492 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.251 492 G C 0.073 174.967 174.900 -0.011 0.000 1.008 492 G CA -0.160 44.936 45.100 -0.007 0.000 0.724 492 G HN 0.576 nan 8.290 nan 0.000 0.514 493 I N 1.346 121.908 120.570 -0.014 0.000 2.243 493 I HA 0.305 4.475 4.170 -0.000 0.000 0.289 493 I C 0.569 176.685 176.117 -0.003 0.000 1.140 493 I CA -0.275 61.017 61.300 -0.015 0.000 1.289 493 I CB 0.136 38.119 38.000 -0.028 0.000 1.498 493 I HN 0.003 nan 8.210 nan 0.000 0.561 494 L N 4.164 125.388 121.223 0.002 0.000 2.282 494 L HA 0.481 4.821 4.340 -0.000 0.000 0.288 494 L C -0.427 176.449 176.870 0.010 0.000 1.033 494 L CA -0.667 54.177 54.840 0.008 0.000 0.807 494 L CB 1.265 43.329 42.059 0.009 0.000 1.209 494 L HN 0.336 nan 8.230 nan 0.000 0.423 495 D N 3.997 124.405 120.400 0.013 0.000 2.175 495 D HA 0.366 5.006 4.640 -0.000 0.000 0.248 495 D C -2.413 173.898 176.300 0.018 0.000 1.047 495 D CA -1.474 52.536 54.000 0.016 0.000 0.883 495 D CB 1.838 42.648 40.800 0.017 0.000 1.180 495 D HN 0.203 nan 8.370 nan 0.000 0.438 496 P HA 0.137 nan 4.420 nan 0.000 0.276 496 P C 0.682 177.995 177.300 0.020 0.000 1.230 496 P CA -0.219 62.895 63.100 0.023 0.000 0.776 496 P CB 0.813 32.532 31.700 0.030 0.000 0.888 497 T N 2.377 116.941 114.554 0.017 0.000 2.652 497 T HA -0.211 4.139 4.350 -0.000 0.000 0.267 497 T C 1.628 176.334 174.700 0.010 0.000 1.039 497 T CA 1.424 63.531 62.100 0.012 0.000 1.153 497 T CB -0.467 68.406 68.868 0.009 0.000 0.863 497 T HN 0.500 nan 8.240 nan 0.000 0.428 498 K N 0.886 121.294 120.400 0.014 0.000 2.189 498 K HA -0.170 4.150 4.320 -0.000 0.000 0.207 498 K C 2.292 178.905 176.600 0.022 0.000 1.046 498 K CA 1.645 57.942 56.287 0.016 0.000 0.928 498 K CB -0.357 32.160 32.500 0.028 0.000 0.720 498 K HN 0.357 nan 8.250 nan 0.000 0.458 499 V N -0.855 119.077 119.914 0.029 0.000 2.346 499 V HA -0.130 3.990 4.120 -0.000 0.000 0.244 499 V C 1.745 177.853 176.094 0.024 0.000 1.037 499 V CA 2.189 64.510 62.300 0.036 0.000 1.029 499 V CB -0.617 31.230 31.823 0.040 0.000 0.663 499 V HN 0.327 nan 8.190 nan 0.000 0.454 500 T N 0.785 115.348 114.554 0.016 0.000 2.759 500 T HA -0.179 4.171 4.350 -0.000 0.000 0.269 500 T C 2.069 176.766 174.700 -0.005 0.000 1.042 500 T CA 2.055 64.161 62.100 0.010 0.000 1.140 500 T CB -0.432 68.442 68.868 0.009 0.000 0.864 500 T HN 0.506 nan 8.240 nan 0.000 0.455 501 R N 0.844 121.334 120.500 -0.016 0.000 2.093 501 R HA 0.044 4.384 4.340 -0.000 0.000 0.224 501 R C 2.393 178.636 176.300 -0.097 0.000 1.101 501 R CA 1.208 57.281 56.100 -0.046 0.000 0.979 501 R CB -0.496 29.778 30.300 -0.043 0.000 0.877 501 R HN 0.288 nan 8.270 nan 0.000 0.441 502 S N 1.029 116.681 115.700 -0.080 0.000 2.355 502 S HA -0.065 4.405 4.470 -0.000 0.000 0.222 502 S C 2.089 176.651 174.600 -0.063 0.000 1.031 502 S CA 1.101 59.207 58.200 -0.157 0.000 0.993 502 S CB -0.323 62.913 63.200 0.059 0.000 0.859 502 S HN 0.525 nan 8.310 nan 0.000 0.453 503 A N 2.127 124.972 122.820 0.041 0.000 1.881 503 A HA -0.196 4.124 4.320 -0.000 0.000 0.219 503 A C 2.114 179.708 177.584 0.017 0.000 1.215 503 A CA 1.780 53.852 52.037 0.059 0.000 0.648 503 A CB -1.145 17.880 19.000 0.042 0.000 0.832 503 A HN 0.462 nan 8.150 nan 0.000 0.455 504 L N -0.847 120.362 121.223 -0.023 0.000 2.042 504 L HA -0.265 4.075 4.340 -0.000 0.000 0.210 504 L C 2.843 179.675 176.870 -0.062 0.000 1.076 504 L CA 2.279 57.101 54.840 -0.031 0.000 0.749 504 L CB -0.634 41.404 42.059 -0.035 0.000 0.893 504 L HN 0.594 nan 8.230 nan 0.000 0.432 505 Q N -1.277 118.429 119.800 -0.157 0.000 2.050 505 Q HA -0.234 4.106 4.340 -0.000 0.000 0.202 505 Q C 2.033 177.925 176.000 -0.180 0.000 0.980 505 Q CA 1.801 57.464 55.803 -0.233 0.000 0.840 505 Q CB -0.179 28.313 28.738 -0.411 0.000 0.898 505 Q HN 0.487 nan 8.270 nan 0.000 0.424 506 Y N -0.158 120.145 120.300 0.005 0.000 2.263 506 Y HA -0.052 4.498 4.550 -0.000 0.000 0.292 506 Y C 2.274 178.177 175.900 0.005 0.000 1.130 506 Y CA 0.699 58.802 58.100 0.005 0.000 1.179 506 Y CB -0.687 37.775 38.460 0.003 0.000 0.998 506 Y HN 0.120 nan 8.280 nan 0.000 0.532 507 A N -0.036 122.867 122.820 0.138 0.000 1.898 507 A HA -0.026 4.294 4.320 -0.000 0.000 0.216 507 A C 2.460 180.079 177.584 0.058 0.000 1.181 507 A CA 1.669 53.757 52.037 0.085 0.000 0.620 507 A CB -1.134 17.900 19.000 0.057 0.000 0.819 507 A HN 0.344 nan 8.150 nan 0.000 0.442 508 A N -0.831 122.011 122.820 0.036 0.000 1.930 508 A HA -0.074 4.246 4.320 -0.000 0.000 0.217 508 A C 2.458 180.062 177.584 0.033 0.000 1.175 508 A CA 2.066 54.117 52.037 0.023 0.000 0.627 508 A CB -0.892 18.110 19.000 0.004 0.000 0.815 508 A HN 0.547 nan 8.150 nan 0.000 0.443 509 S N -0.660 115.069 115.700 0.048 0.000 2.368 509 S HA -0.150 4.320 4.470 -0.000 0.000 0.225 509 S C 2.049 176.684 174.600 0.059 0.000 1.030 509 S CA 2.044 60.279 58.200 0.058 0.000 0.999 509 S CB -0.588 62.668 63.200 0.095 0.000 0.844 509 S HN 0.958 nan 8.310 nan 0.000 0.459 510 V N 0.999 120.954 119.914 0.068 0.000 2.446 510 V HA 0.232 4.352 4.120 -0.000 0.000 0.244 510 V C 2.449 178.565 176.094 0.038 0.000 1.039 510 V CA 1.620 63.949 62.300 0.049 0.000 1.045 510 V CB -1.327 30.523 31.823 0.045 0.000 0.681 510 V HN 0.494 nan 8.190 nan 0.000 0.459 511 A N 1.175 124.018 122.820 0.038 0.000 1.884 511 A HA -0.122 4.198 4.320 -0.000 0.000 0.219 511 A C 2.480 180.079 177.584 0.026 0.000 1.197 511 A CA 2.670 54.725 52.037 0.029 0.000 0.637 511 A CB -1.841 17.175 19.000 0.027 0.000 0.827 511 A HN 0.893 nan 8.150 nan 0.000 0.450 512 G N -0.318 108.498 108.800 0.026 0.000 2.599 512 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.219 512 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.219 512 G C 1.597 176.511 174.900 0.023 0.000 1.193 512 G CA 1.283 46.397 45.100 0.022 0.000 0.778 512 G HN 0.457 nan 8.290 nan 0.000 0.589 513 L N -0.330 120.908 121.223 0.025 0.000 2.012 513 L HA -0.101 4.239 4.340 -0.000 0.000 0.210 513 L C 3.176 180.061 176.870 0.025 0.000 1.073 513 L CA 1.333 56.188 54.840 0.025 0.000 0.748 513 L CB -0.256 41.819 42.059 0.026 0.000 0.891 513 L HN 0.265 nan 8.230 nan 0.000 0.431 514 M N -0.294 119.321 119.600 0.026 0.000 2.144 514 M HA -0.237 4.243 4.480 -0.000 0.000 0.260 514 M C 2.101 178.415 176.300 0.025 0.000 1.067 514 M CA 1.785 57.101 55.300 0.026 0.000 1.095 514 M CB -0.404 32.212 32.600 0.026 0.000 1.365 514 M HN 0.372 nan 8.290 nan 0.000 0.406 515 I N -2.175 118.409 120.570 0.022 0.000 3.444 515 I HA -0.027 4.143 4.170 -0.000 0.000 0.287 515 I C 1.390 177.520 176.117 0.021 0.000 1.302 515 I CA 1.048 62.360 61.300 0.020 0.000 1.368 515 I CB -0.630 37.380 38.000 0.017 0.000 1.048 515 I HN 0.167 nan 8.210 nan 0.000 0.487 516 T N -2.479 112.089 114.554 0.024 0.000 3.176 516 T HA 0.211 4.561 4.350 -0.000 0.000 0.263 516 T C 0.590 175.309 174.700 0.031 0.000 1.021 516 T CA -0.305 61.810 62.100 0.025 0.000 0.905 516 T CB -0.690 68.192 68.868 0.024 0.000 1.057 516 T HN 0.202 nan 8.240 nan 0.000 0.558 517 T N 2.616 117.190 114.554 0.032 0.000 2.834 517 T HA 0.237 4.587 4.350 -0.000 0.000 0.298 517 T C 0.790 175.517 174.700 0.046 0.000 0.966 517 T CA -0.012 62.111 62.100 0.038 0.000 1.141 517 T CB 1.368 70.257 68.868 0.035 0.000 0.905 517 T HN 0.405 nan 8.240 nan 0.000 0.535 518 E N 0.950 121.188 120.200 0.063 0.000 2.474 518 E HA 0.197 4.547 4.350 -0.000 0.000 0.215 518 E C 0.063 176.751 176.600 0.147 0.000 0.867 518 E CA -0.091 56.365 56.400 0.095 0.000 1.135 518 E CB 0.577 30.335 29.700 0.097 0.000 1.147 518 E HN 0.634 nan 8.360 nan 0.000 0.534 519 C N 0.238 119.597 119.300 0.097 0.000 3.090 519 C HA 0.803 5.263 4.460 -0.000 0.000 0.305 519 C C -1.564 173.405 174.990 -0.034 0.000 1.292 519 C CA -0.653 58.367 59.018 0.003 0.000 1.482 519 C CB 0.734 28.510 27.740 0.059 0.000 1.897 519 C HN 0.332 nan 8.230 nan 0.000 0.469 520 M N 4.141 123.697 119.600 -0.074 0.000 2.324 520 M HA 0.546 5.026 4.480 -0.000 0.000 0.288 520 M C -1.347 175.012 176.300 0.099 0.000 1.097 520 M CA -0.455 54.886 55.300 0.068 0.000 0.928 520 M CB 2.212 34.939 32.600 0.212 0.000 1.648 520 M HN 0.443 nan 8.290 nan 0.000 0.460 521 V N 1.365 121.303 119.914 0.040 0.000 2.604 521 V HA 0.885 5.005 4.120 -0.000 0.000 0.305 521 V C -0.241 175.805 176.094 -0.080 0.000 1.043 521 V CA -0.269 62.025 62.300 -0.010 0.000 0.888 521 V CB 2.124 33.928 31.823 -0.031 0.000 0.995 521 V HN 0.984 nan 8.190 nan 0.000 0.429 522 T N 2.075 116.534 114.554 -0.159 0.000 2.658 522 T HA 0.347 4.697 4.350 -0.000 0.000 0.306 522 T C -1.765 172.809 174.700 -0.211 0.000 1.544 522 T CA -0.476 61.475 62.100 -0.247 0.000 0.991 522 T CB 1.794 70.374 68.868 -0.479 0.000 1.774 522 T HN 0.573 nan 8.240 nan 0.000 0.479 523 D N 0.835 121.112 120.400 -0.205 0.000 2.387 523 D HA 0.504 5.144 4.640 -0.000 0.000 0.251 523 D C -0.003 176.221 176.300 -0.127 0.000 1.141 523 D CA -0.281 53.641 54.000 -0.131 0.000 0.987 523 D CB 0.538 41.279 40.800 -0.098 0.000 1.116 523 D HN 0.451 nan 8.370 nan 0.000 0.491 524 L N 2.089 123.270 121.223 -0.069 0.000 2.426 524 L HA 0.235 4.575 4.340 -0.000 0.000 0.271 524 L C -1.455 175.389 176.870 -0.042 0.000 1.169 524 L CA -1.412 53.403 54.840 -0.041 0.000 0.836 524 L CB 0.328 42.377 42.059 -0.018 0.000 1.112 524 L HN 0.308 nan 8.230 nan 0.000 0.465 525 P HA 0.000 nan 4.420 nan 0.000 0.216 525 P CA 0.000 63.088 63.100 -0.021 0.000 0.800 525 P CB 0.000 31.701 31.700 0.001 0.000 0.726