REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2eu1_1_D DATA FIRST_RESID 2 DATA SEQUENCE AAKDVKFGND ARVKMLRGVN VLADAVKVTL GPKGRNVVLD KSFGAPTITK DATA SEQUENCE DGVSVAREIE LEDKFENMGA QMVKEVASKA NDAAGDGTTT ATVLAQAIIT DATA SEQUENCE EGLKAVAAGM NPMDLKRGID KAVTAAVEEL KALSVPCSDS KAIAQVGTIS DATA SEQUENCE ANSDETVGKL IAEAMDKVGK EGVITVEDGT GLQDELDVVE GMQFDRGYLS DATA SEQUENCE PYFINKPETG AVELESPFIL LADKKISNIR EMLPVLEAVA KAGKPLLIIA DATA SEQUENCE EDVEGEALAT LVVNTMRGIV KVAAVKAPGF GDRRKAMLQD IATLTGGTVI DATA SEQUENCE SEEIGMELEK ATLEDLGQAK RVVINKDTTT IIDGVGEEAA IQGRVAQIRQ DATA SEQUENCE QIEEATSDYD REKLQERVAK LAGGVAVIKV GAATEVEMKE KKARVEDALH DATA SEQUENCE ATRAAVEEGV VAGGGVALIR VASKLADLRG QNEDQNVGIK VALRAMEAPL DATA SEQUENCE RQIVLNCGEK PSVVANTVKG GDGNYGYNAA TEEYGNMIDM GILDPTKVTR DATA SEQUENCE SALQYAASVA GLMITTECMV TDLP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.581 177.584 -0.004 0.000 1.274 2 A CA 0.000 52.034 52.037 -0.006 0.000 0.836 2 A CB 0.000 18.997 19.000 -0.005 0.000 0.831 3 A N 0.514 123.333 122.820 -0.002 0.000 2.561 3 A HA 0.494 4.814 4.320 -0.000 0.000 0.234 3 A C 0.110 177.692 177.584 -0.004 0.000 1.055 3 A CA 0.627 52.666 52.037 0.003 0.000 0.756 3 A CB -0.240 18.763 19.000 0.005 0.000 0.986 3 A HN 0.534 nan 8.150 nan 0.000 0.505 4 K N 0.913 121.315 120.400 0.003 0.000 2.352 4 K HA 0.518 4.838 4.320 -0.000 0.000 0.240 4 K C -1.374 175.236 176.600 0.018 0.000 1.017 4 K CA -0.743 55.541 56.287 -0.005 0.000 0.851 4 K CB 1.688 34.185 32.500 -0.005 0.000 1.261 4 K HN 0.730 nan 8.250 nan 0.000 0.451 5 D N 0.583 120.995 120.400 0.020 0.000 2.375 5 D HA 0.432 5.072 4.640 -0.000 0.000 0.247 5 D C -1.422 174.981 176.300 0.172 0.000 1.061 5 D CA -0.564 53.499 54.000 0.106 0.000 0.834 5 D CB 1.553 42.433 40.800 0.133 0.000 1.247 5 D HN 0.092 nan 8.370 nan 0.000 0.489 6 V N 4.074 124.067 119.914 0.132 0.000 2.531 6 V HA 0.455 4.575 4.120 -0.000 0.000 0.301 6 V C 0.124 176.114 176.094 -0.173 0.000 1.034 6 V CA -0.848 61.433 62.300 -0.032 0.000 0.865 6 V CB 1.763 33.510 31.823 -0.126 0.000 0.995 6 V HN 0.381 nan 8.190 nan 0.000 0.424 7 K N 3.263 123.447 120.400 -0.361 0.000 2.208 7 K HA 0.762 5.082 4.320 -0.000 0.000 0.247 7 K C -1.586 174.682 176.600 -0.554 0.000 0.953 7 K CA -0.588 55.436 56.287 -0.438 0.000 0.837 7 K CB 2.407 34.467 32.500 -0.735 0.000 1.131 7 K HN 0.443 nan 8.250 nan 0.000 0.431 8 F N -0.322 119.566 119.950 -0.103 0.000 2.577 8 F HA 0.329 4.856 4.527 -0.000 0.000 0.318 8 F C 1.193 176.956 175.800 -0.062 0.000 1.065 8 F CA 0.080 58.043 58.000 -0.061 0.000 0.929 8 F CB 1.709 40.687 39.000 -0.036 0.000 1.237 8 F HN 0.848 nan 8.300 nan 0.000 0.468 9 G N 2.423 111.338 108.800 0.192 0.000 2.660 9 G HA2 -0.460 3.500 3.960 -0.000 0.000 0.338 9 G HA3 -0.460 3.500 3.960 -0.000 0.000 0.338 9 G C 1.408 176.326 174.900 0.030 0.000 1.336 9 G CA 0.982 46.137 45.100 0.091 0.000 0.990 9 G HN 0.765 nan 8.290 nan 0.000 0.537 10 N N 0.362 119.074 118.700 0.021 0.000 2.049 10 N HA -0.228 4.512 4.740 -0.000 0.000 0.198 10 N C 1.883 177.378 175.510 -0.024 0.000 1.030 10 N CA 2.440 55.489 53.050 -0.001 0.000 0.870 10 N CB -0.405 38.082 38.487 0.000 0.000 1.045 10 N HN 0.594 nan 8.380 nan 0.000 0.434 11 D N 0.356 120.740 120.400 -0.028 0.000 2.127 11 D HA -0.138 4.502 4.640 -0.000 0.000 0.190 11 D C 1.706 177.924 176.300 -0.137 0.000 1.000 11 D CA 1.818 55.776 54.000 -0.071 0.000 0.839 11 D CB -0.493 40.269 40.800 -0.063 0.000 0.955 11 D HN 0.384 nan 8.370 nan 0.000 0.446 12 A N 0.090 122.814 122.820 -0.159 0.000 2.070 12 A HA -0.137 4.183 4.320 -0.000 0.000 0.220 12 A C 2.316 179.826 177.584 -0.123 0.000 1.159 12 A CA 1.214 53.111 52.037 -0.232 0.000 0.656 12 A CB -0.348 18.522 19.000 -0.216 0.000 0.800 12 A HN 0.217 nan 8.150 nan 0.000 0.453 13 R N -0.537 119.924 120.500 -0.066 0.000 2.055 13 R HA -0.069 4.271 4.340 -0.000 0.000 0.226 13 R C 2.260 178.544 176.300 -0.027 0.000 1.135 13 R CA 1.457 57.538 56.100 -0.031 0.000 0.959 13 R CB -0.696 29.596 30.300 -0.013 0.000 0.854 13 R HN 0.550 nan 8.270 nan 0.000 0.431 14 V N 0.312 120.207 119.914 -0.033 0.000 2.380 14 V HA -0.251 3.869 4.120 -0.000 0.000 0.251 14 V C 1.964 178.047 176.094 -0.019 0.000 1.063 14 V CA 1.607 63.893 62.300 -0.022 0.000 1.055 14 V CB -0.475 31.334 31.823 -0.024 0.000 0.657 14 V HN 0.115 nan 8.190 nan 0.000 0.455 15 K N 0.001 120.377 120.400 -0.040 0.000 2.032 15 K HA -0.064 4.256 4.320 -0.000 0.000 0.209 15 K C 2.239 178.858 176.600 0.032 0.000 1.048 15 K CA 2.281 58.563 56.287 -0.009 0.000 0.927 15 K CB -0.561 31.907 32.500 -0.054 0.000 0.712 15 K HN 0.579 nan 8.250 nan 0.000 0.441 16 M N 0.229 119.844 119.600 0.025 0.000 2.067 16 M HA -0.209 4.271 4.480 -0.000 0.000 0.260 16 M C 2.293 178.608 176.300 0.025 0.000 1.069 16 M CA 1.273 56.596 55.300 0.037 0.000 1.117 16 M CB -0.530 32.088 32.600 0.029 0.000 1.334 16 M HN 0.051 nan 8.290 nan 0.000 0.407 17 L N 0.826 122.057 121.223 0.014 0.000 1.971 17 L HA -0.249 4.091 4.340 -0.000 0.000 0.215 17 L C 2.504 179.382 176.870 0.013 0.000 1.072 17 L CA 2.142 56.989 54.840 0.011 0.000 0.758 17 L CB -0.798 41.264 42.059 0.006 0.000 0.889 17 L HN 0.206 nan 8.230 nan 0.000 0.433 18 R N -0.423 120.084 120.500 0.012 0.000 2.133 18 R HA -0.158 4.182 4.340 -0.000 0.000 0.247 18 R C 2.100 178.411 176.300 0.018 0.000 1.151 18 R CA 1.908 58.016 56.100 0.014 0.000 0.971 18 R CB -1.117 29.192 30.300 0.015 0.000 0.866 18 R HN 0.578 nan 8.270 nan 0.000 0.447 19 G N -0.419 108.396 108.800 0.025 0.000 2.424 19 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.214 19 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.214 19 G C 1.408 176.318 174.900 0.017 0.000 1.202 19 G CA 0.625 45.740 45.100 0.025 0.000 0.793 19 G HN 0.290 nan 8.290 nan 0.000 0.534 20 V N 1.320 121.244 119.914 0.017 0.000 2.568 20 V HA -0.203 3.917 4.120 -0.000 0.000 0.253 20 V C 2.398 178.497 176.094 0.009 0.000 1.072 20 V CA 2.546 64.853 62.300 0.012 0.000 1.084 20 V CB -0.555 31.275 31.823 0.013 0.000 0.676 20 V HN 0.293 nan 8.190 nan 0.000 0.469 21 N N 0.244 118.949 118.700 0.009 0.000 2.120 21 N HA -0.127 4.613 4.740 -0.000 0.000 0.188 21 N C 1.782 177.295 175.510 0.005 0.000 1.024 21 N CA 1.877 54.932 53.050 0.007 0.000 0.852 21 N CB -0.526 37.965 38.487 0.007 0.000 1.003 21 N HN 0.491 nan 8.380 nan 0.000 0.424 22 V N 1.686 121.604 119.914 0.006 0.000 2.287 22 V HA -0.216 3.904 4.120 -0.000 0.000 0.248 22 V C 2.445 178.540 176.094 0.001 0.000 1.053 22 V CA 1.278 63.580 62.300 0.004 0.000 1.027 22 V CB -0.722 31.103 31.823 0.004 0.000 0.646 22 V HN 0.204 nan 8.190 nan 0.000 0.447 23 L N 1.087 122.311 121.223 0.002 0.000 1.970 23 L HA -0.123 4.217 4.340 -0.000 0.000 0.212 23 L C 2.484 179.354 176.870 -0.001 0.000 1.071 23 L CA 2.554 57.394 54.840 -0.001 0.000 0.751 23 L CB -1.222 40.837 42.059 -0.001 0.000 0.889 23 L HN 0.222 nan 8.230 nan 0.000 0.432 24 A N -0.737 122.084 122.820 0.001 0.000 1.883 24 A HA -0.232 4.088 4.320 -0.000 0.000 0.217 24 A C 2.004 179.588 177.584 0.001 0.000 1.186 24 A CA 1.978 54.016 52.037 0.002 0.000 0.624 24 A CB -0.966 18.036 19.000 0.004 0.000 0.822 24 A HN 0.612 nan 8.150 nan 0.000 0.444 25 D N 0.016 120.417 120.400 0.001 0.000 2.178 25 D HA -0.025 4.615 4.640 -0.000 0.000 0.202 25 D C 2.117 178.416 176.300 -0.001 0.000 0.974 25 D CA 1.396 55.396 54.000 0.000 0.000 0.841 25 D CB -0.350 40.451 40.800 0.001 0.000 0.953 25 D HN 0.461 nan 8.370 nan 0.000 0.478 26 A N 0.538 123.357 122.820 -0.002 0.000 1.968 26 A HA -0.047 4.273 4.320 -0.000 0.000 0.217 26 A C 2.333 179.914 177.584 -0.005 0.000 1.169 26 A CA 0.692 52.726 52.037 -0.004 0.000 0.638 26 A CB -0.375 18.621 19.000 -0.005 0.000 0.812 26 A HN 0.175 nan 8.150 nan 0.000 0.446 27 V N 0.814 120.725 119.914 -0.005 0.000 2.725 27 V HA -0.117 4.003 4.120 -0.000 0.000 0.247 27 V C 2.358 178.449 176.094 -0.005 0.000 1.058 27 V CA 1.973 64.269 62.300 -0.007 0.000 1.080 27 V CB -0.346 31.473 31.823 -0.008 0.000 0.713 27 V HN 0.799 nan 8.190 nan 0.000 0.465 28 K N 0.739 121.137 120.400 -0.003 0.000 2.439 28 K HA -0.033 4.287 4.320 -0.000 0.000 0.197 28 K C 1.394 177.993 176.600 -0.002 0.000 1.041 28 K CA 1.574 57.860 56.287 -0.002 0.000 0.970 28 K CB -0.529 31.971 32.500 0.001 0.000 0.773 28 K HN 0.496 nan 8.250 nan 0.000 0.479 29 V N -0.235 119.678 119.914 -0.002 0.000 3.541 29 V HA -0.045 4.074 4.120 -0.000 0.000 0.272 29 V C 1.405 177.496 176.094 -0.004 0.000 1.215 29 V CA 1.197 63.496 62.300 -0.002 0.000 1.176 29 V CB -1.216 30.605 31.823 -0.003 0.000 0.854 29 V HN 0.478 nan 8.190 nan 0.000 0.496 30 T N -3.252 111.299 114.554 -0.005 0.000 3.054 30 T HA 0.336 4.686 4.350 -0.000 0.000 0.255 30 T C 0.628 175.324 174.700 -0.007 0.000 1.035 30 T CA -0.388 61.708 62.100 -0.007 0.000 0.941 30 T CB 0.045 68.908 68.868 -0.009 0.000 1.026 30 T HN 0.208 nan 8.240 nan 0.000 0.533 31 L N 3.494 124.714 121.223 -0.005 0.000 2.745 31 L HA 0.330 4.670 4.340 -0.000 0.000 0.273 31 L C 1.349 178.215 176.870 -0.007 0.000 1.156 31 L CA 1.563 56.400 54.840 -0.005 0.000 0.982 31 L CB -1.617 40.442 42.059 -0.001 0.000 1.295 31 L HN 0.766 nan 8.230 nan 0.000 0.483 32 G N 5.865 114.658 108.800 -0.012 0.000 2.752 32 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.234 32 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.234 32 G C -1.466 173.421 174.900 -0.021 0.000 1.367 32 G CA -0.319 44.770 45.100 -0.018 0.000 0.879 32 G HN 0.545 nan 8.290 nan 0.000 0.563 33 P HA -0.225 nan 4.420 nan 0.000 0.222 33 P C 1.058 178.344 177.300 -0.022 0.000 0.846 33 P CA 1.999 65.079 63.100 -0.032 0.000 1.068 33 P CB -0.239 31.432 31.700 -0.049 0.000 0.669 34 K N 0.660 121.049 120.400 -0.020 0.000 2.985 34 K HA 0.076 4.396 4.320 -0.000 0.000 0.245 34 K C 1.237 177.833 176.600 -0.007 0.000 0.838 34 K CA 0.037 56.317 56.287 -0.011 0.000 1.027 34 K CB -1.168 31.328 32.500 -0.006 0.000 0.890 34 K HN 0.324 nan 8.250 nan 0.000 0.455 35 G N 1.068 109.863 108.800 -0.009 0.000 2.527 35 G HA2 0.094 4.054 3.960 -0.000 0.000 0.248 35 G HA3 0.094 4.054 3.960 -0.000 0.000 0.248 35 G C 0.148 175.044 174.900 -0.006 0.000 1.231 35 G CA -0.654 44.442 45.100 -0.007 0.000 0.838 35 G HN 0.137 nan 8.290 nan 0.000 0.570 36 R N 0.469 120.966 120.500 -0.005 0.000 2.606 36 R HA 0.298 4.638 4.340 -0.000 0.000 0.249 36 R C -0.111 176.185 176.300 -0.006 0.000 1.127 36 R CA -0.920 55.177 56.100 -0.005 0.000 1.133 36 R CB 0.098 30.395 30.300 -0.004 0.000 1.243 36 R HN 0.620 nan 8.270 nan 0.000 0.558 37 N N -1.068 117.628 118.700 -0.006 0.000 2.489 37 N HA 0.426 5.166 4.740 -0.000 0.000 0.284 37 N C -1.073 174.433 175.510 -0.007 0.000 1.158 37 N CA -0.588 52.458 53.050 -0.007 0.000 0.965 37 N CB 1.458 39.941 38.487 -0.007 0.000 1.195 37 N HN 0.095 nan 8.380 nan 0.000 0.506 38 V N 1.241 121.151 119.914 -0.008 0.000 2.531 38 V HA 0.317 4.437 4.120 -0.000 0.000 0.301 38 V C -0.506 175.583 176.094 -0.009 0.000 1.034 38 V CA -0.905 61.390 62.300 -0.008 0.000 0.865 38 V CB 1.644 33.462 31.823 -0.009 0.000 0.995 38 V HN 0.359 nan 8.190 nan 0.000 0.424 39 V N 6.286 126.194 119.914 -0.010 0.000 2.368 39 V HA 0.353 4.473 4.120 -0.000 0.000 0.266 39 V C 0.021 176.108 176.094 -0.012 0.000 1.045 39 V CA -0.289 62.004 62.300 -0.011 0.000 0.899 39 V CB 0.877 32.693 31.823 -0.012 0.000 1.006 39 V HN 0.647 nan 8.190 nan 0.000 0.470 40 L N 4.178 125.393 121.223 -0.012 0.000 2.270 40 L HA 0.397 4.737 4.340 -0.000 0.000 0.286 40 L C 0.284 177.145 176.870 -0.015 0.000 1.059 40 L CA -0.398 54.434 54.840 -0.013 0.000 0.839 40 L CB 0.840 42.892 42.059 -0.011 0.000 1.221 40 L HN 0.587 nan 8.230 nan 0.000 0.431 41 D N 3.613 124.001 120.400 -0.019 0.000 2.443 41 D HA 0.054 4.694 4.640 -0.000 0.000 0.239 41 D C -0.227 176.060 176.300 -0.022 0.000 1.136 41 D CA 0.301 54.285 54.000 -0.026 0.000 0.879 41 D CB 0.836 41.615 40.800 -0.036 0.000 1.195 41 D HN 0.342 nan 8.370 nan 0.000 0.443 42 K N 2.427 122.814 120.400 -0.020 0.000 2.413 42 K HA 0.249 4.569 4.320 -0.000 0.000 0.257 42 K C 1.121 177.718 176.600 -0.006 0.000 0.946 42 K CA -0.344 55.940 56.287 -0.006 0.000 0.823 42 K CB 1.002 33.507 32.500 0.008 0.000 1.109 42 K HN 0.653 nan 8.250 nan 0.000 0.427 43 S N 3.817 119.520 115.700 0.005 0.000 2.068 43 S HA -0.310 4.160 4.470 -0.000 0.000 0.498 43 S C 0.443 175.033 174.600 -0.016 0.000 0.963 43 S CA 1.292 59.504 58.200 0.021 0.000 3.049 43 S CB -0.846 62.411 63.200 0.095 0.000 2.163 43 S HN 0.530 nan 8.310 nan 0.000 0.541 44 F N 2.479 122.426 119.950 -0.005 0.000 2.493 44 F HA 0.677 5.204 4.527 -0.000 0.000 0.329 44 F C 0.900 176.698 175.800 -0.005 0.000 1.126 44 F CA 0.672 58.669 58.000 -0.005 0.000 0.937 44 F CB 1.749 40.747 39.000 -0.004 0.000 1.146 44 F HN 0.956 nan 8.300 nan 0.000 0.442 45 G N 1.801 110.710 108.800 0.183 0.000 2.270 45 G HA2 0.419 4.379 3.960 -0.000 0.000 0.268 45 G HA3 0.419 4.379 3.960 -0.000 0.000 0.268 45 G C -1.826 173.101 174.900 0.044 0.000 1.312 45 G CA -0.433 44.736 45.100 0.116 0.000 1.050 45 G HN 0.964 nan 8.290 nan 0.000 0.474 46 A N 0.606 123.446 122.820 0.032 0.000 2.306 46 A HA 0.867 5.187 4.320 -0.000 0.000 0.314 46 A C -1.631 175.956 177.584 0.004 0.000 1.164 46 A CA -0.844 51.200 52.037 0.011 0.000 0.822 46 A CB 0.223 19.231 19.000 0.013 0.000 1.130 46 A HN 0.600 nan 8.150 nan 0.000 0.496 47 P HA 0.170 nan 4.420 nan 0.000 0.272 47 P C -0.251 177.046 177.300 -0.004 0.000 1.243 47 P CA 0.288 63.383 63.100 -0.009 0.000 0.803 47 P CB 0.358 32.049 31.700 -0.014 0.000 0.974 48 T N 1.144 115.695 114.554 -0.006 0.000 2.792 48 T HA 0.526 4.876 4.350 -0.000 0.000 0.280 48 T C -0.009 174.687 174.700 -0.006 0.000 0.990 48 T CA -0.314 61.783 62.100 -0.004 0.000 0.960 48 T CB 0.184 69.050 68.868 -0.004 0.000 0.939 48 T HN 0.155 nan 8.240 nan 0.000 0.439 49 I N 2.908 123.474 120.570 -0.006 0.000 2.330 49 I HA 0.473 4.643 4.170 -0.000 0.000 0.289 49 I C 0.411 176.524 176.117 -0.007 0.000 1.001 49 I CA -0.371 60.925 61.300 -0.007 0.000 1.193 49 I CB 1.583 39.580 38.000 -0.006 0.000 1.345 49 I HN 0.492 nan 8.210 nan 0.000 0.461 50 T N 4.675 119.224 114.554 -0.008 0.000 2.864 50 T HA 0.404 4.754 4.350 -0.000 0.000 0.299 50 T C 0.122 174.816 174.700 -0.009 0.000 1.166 50 T CA -0.529 61.566 62.100 -0.008 0.000 1.007 50 T CB 1.805 70.667 68.868 -0.009 0.000 1.219 50 T HN 0.622 nan 8.240 nan 0.000 0.506 51 K N 0.969 121.364 120.400 -0.009 0.000 2.447 51 K HA 0.192 4.512 4.320 -0.000 0.000 0.205 51 K C -0.640 175.953 176.600 -0.011 0.000 1.059 51 K CA -0.214 56.067 56.287 -0.010 0.000 1.065 51 K CB 0.560 33.054 32.500 -0.010 0.000 0.885 51 K HN 0.430 nan 8.250 nan 0.000 0.545 52 D N 0.442 120.835 120.400 -0.012 0.000 2.352 52 D HA 0.070 4.710 4.640 -0.000 0.000 0.245 52 D C 1.268 177.558 176.300 -0.015 0.000 1.224 52 D CA 0.027 54.018 54.000 -0.014 0.000 0.879 52 D CB 1.108 41.899 40.800 -0.015 0.000 1.057 52 D HN 0.216 nan 8.370 nan 0.000 0.491 53 G N 2.593 111.383 108.800 -0.016 0.000 2.475 53 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.220 53 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.220 53 G C 1.499 176.387 174.900 -0.020 0.000 1.125 53 G CA 1.089 46.179 45.100 -0.016 0.000 0.755 53 G HN 0.495 nan 8.290 nan 0.000 0.565 54 V N 0.932 120.832 119.914 -0.023 0.000 2.295 54 V HA -0.199 3.921 4.120 -0.000 0.000 0.246 54 V C 2.968 179.046 176.094 -0.025 0.000 1.049 54 V CA 2.298 64.582 62.300 -0.028 0.000 1.024 54 V CB -1.028 30.776 31.823 -0.033 0.000 0.648 54 V HN 0.338 nan 8.190 nan 0.000 0.447 55 S N 0.062 115.749 115.700 -0.022 0.000 2.368 55 S HA -0.125 4.345 4.470 -0.000 0.000 0.224 55 S C 2.071 176.660 174.600 -0.018 0.000 1.029 55 S CA 1.380 59.568 58.200 -0.019 0.000 0.988 55 S CB -0.282 62.908 63.200 -0.016 0.000 0.838 55 S HN 0.367 nan 8.310 nan 0.000 0.462 56 V N 2.075 121.979 119.914 -0.016 0.000 2.332 56 V HA -0.234 3.886 4.120 -0.000 0.000 0.248 56 V C 2.655 178.740 176.094 -0.016 0.000 1.055 56 V CA 1.810 64.101 62.300 -0.015 0.000 1.038 56 V CB -1.124 30.691 31.823 -0.013 0.000 0.651 56 V HN 0.552 nan 8.190 nan 0.000 0.450 57 A N -0.423 122.386 122.820 -0.018 0.000 1.930 57 A HA -0.240 4.080 4.320 -0.000 0.000 0.217 57 A C 2.398 179.969 177.584 -0.021 0.000 1.175 57 A CA 1.832 53.858 52.037 -0.019 0.000 0.627 57 A CB -0.603 18.383 19.000 -0.022 0.000 0.815 57 A HN 0.465 nan 8.150 nan 0.000 0.443 58 R N -0.390 120.096 120.500 -0.024 0.000 2.117 58 R HA -0.177 4.163 4.340 -0.000 0.000 0.243 58 R C 1.708 177.994 176.300 -0.023 0.000 1.143 58 R CA 1.770 57.854 56.100 -0.026 0.000 0.968 58 R CB -0.132 30.151 30.300 -0.028 0.000 0.863 58 R HN 0.525 nan 8.270 nan 0.000 0.444 59 E N 0.322 120.510 120.200 -0.019 0.000 2.122 59 E HA -0.034 4.316 4.350 -0.000 0.000 0.190 59 E C 0.748 177.339 176.600 -0.015 0.000 0.977 59 E CA 0.111 56.501 56.400 -0.017 0.000 0.820 59 E CB -0.020 29.671 29.700 -0.015 0.000 0.770 59 E HN 0.226 nan 8.360 nan 0.000 0.462 60 I N 2.259 122.820 120.570 -0.015 0.000 2.826 60 I HA -0.093 4.077 4.170 -0.000 0.000 0.295 60 I C 0.549 176.659 176.117 -0.013 0.000 1.213 60 I CA 1.013 62.306 61.300 -0.012 0.000 1.436 60 I CB -0.287 37.706 38.000 -0.011 0.000 1.348 60 I HN 0.113 nan 8.210 nan 0.000 0.570 61 E N 7.097 127.290 120.200 -0.011 0.000 2.651 61 E HA 0.245 4.595 4.350 -0.000 0.000 0.360 61 E C -1.361 175.233 176.600 -0.010 0.000 0.932 61 E CA -0.448 55.945 56.400 -0.012 0.000 0.761 61 E CB 0.809 30.500 29.700 -0.015 0.000 1.462 61 E HN 0.440 nan 8.360 nan 0.000 0.392 62 L N 2.478 123.697 121.223 -0.007 0.000 2.476 62 L HA 0.242 4.582 4.340 -0.000 0.000 0.255 62 L C 1.755 178.620 176.870 -0.008 0.000 1.218 62 L CA 0.007 54.845 54.840 -0.004 0.000 0.819 62 L CB 0.411 42.473 42.059 0.005 0.000 1.119 62 L HN 0.674 nan 8.230 nan 0.000 0.485 63 E N 0.179 120.377 120.200 -0.005 0.000 2.086 63 E HA -0.144 4.206 4.350 -0.000 0.000 0.190 63 E C 0.499 177.093 176.600 -0.010 0.000 0.975 63 E CA 0.113 56.507 56.400 -0.009 0.000 0.813 63 E CB 0.273 29.971 29.700 -0.005 0.000 0.768 63 E HN 0.659 nan 8.360 nan 0.000 0.457 64 D N 1.233 121.637 120.400 0.008 0.000 2.389 64 D HA -0.072 4.568 4.640 -0.000 0.000 0.263 64 D C 0.760 177.054 176.300 -0.010 0.000 1.255 64 D CA 0.011 54.026 54.000 0.025 0.000 0.914 64 D CB 0.816 41.658 40.800 0.071 0.000 1.116 64 D HN 0.063 nan 8.370 nan 0.000 0.502 65 K N 3.759 124.101 120.400 -0.095 0.000 2.144 65 K HA -0.221 4.099 4.320 -0.000 0.000 0.209 65 K C 1.847 178.300 176.600 -0.246 0.000 1.047 65 K CA 1.370 57.522 56.287 -0.225 0.000 0.927 65 K CB -0.515 31.749 32.500 -0.394 0.000 0.716 65 K HN 0.469 nan 8.250 nan 0.000 0.454 66 F N 1.530 121.467 119.950 -0.022 0.000 2.118 66 F HA -0.031 4.496 4.527 -0.000 0.000 0.293 66 F C 2.516 178.304 175.800 -0.020 0.000 1.102 66 F CA 1.002 58.987 58.000 -0.025 0.000 1.247 66 F CB -0.652 38.332 39.000 -0.028 0.000 1.017 66 F HN 0.076 nan 8.300 nan 0.000 0.475 67 E N 0.015 120.325 120.200 0.183 0.000 2.160 67 E HA -0.273 4.077 4.350 -0.000 0.000 0.195 67 E C 1.841 178.474 176.600 0.054 0.000 0.991 67 E CA 1.376 57.833 56.400 0.095 0.000 0.810 67 E CB -0.308 29.433 29.700 0.068 0.000 0.742 67 E HN 0.307 nan 8.360 nan 0.000 0.466 68 N N 0.475 119.193 118.700 0.031 0.000 2.058 68 N HA -0.169 4.571 4.740 -0.000 0.000 0.191 68 N C 1.724 177.237 175.510 0.006 0.000 1.037 68 N CA 1.449 54.502 53.050 0.004 0.000 0.848 68 N CB -0.026 38.448 38.487 -0.021 0.000 1.021 68 N HN 0.040 nan 8.380 nan 0.000 0.422 69 M N -0.291 119.313 119.600 0.007 0.000 2.113 69 M HA -0.174 4.306 4.480 -0.000 0.000 0.255 69 M C 2.213 178.527 176.300 0.025 0.000 1.073 69 M CA 2.066 57.374 55.300 0.012 0.000 1.091 69 M CB -1.006 31.613 32.600 0.031 0.000 1.309 69 M HN 0.377 nan 8.290 nan 0.000 0.407 70 G N -0.269 108.556 108.800 0.042 0.000 2.553 70 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.218 70 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.218 70 G C 1.593 176.506 174.900 0.020 0.000 1.195 70 G CA 1.384 46.505 45.100 0.035 0.000 0.779 70 G HN 0.594 nan 8.290 nan 0.000 0.577 71 A N -0.548 122.282 122.820 0.016 0.000 1.902 71 A HA -0.050 4.270 4.320 -0.000 0.000 0.217 71 A C 2.392 179.976 177.584 0.001 0.000 1.181 71 A CA 1.984 54.025 52.037 0.007 0.000 0.623 71 A CB -0.368 18.635 19.000 0.005 0.000 0.818 71 A HN 0.329 nan 8.150 nan 0.000 0.443 72 Q N -0.816 118.983 119.800 -0.001 0.000 2.170 72 Q HA -0.089 4.251 4.340 -0.000 0.000 0.203 72 Q C 2.084 178.080 176.000 -0.006 0.000 0.976 72 Q CA 1.322 57.120 55.803 -0.007 0.000 0.858 72 Q CB -0.384 28.347 28.738 -0.011 0.000 0.907 72 Q HN 0.773 nan 8.270 nan 0.000 0.433 73 M N -0.259 119.342 119.600 0.002 0.000 2.099 73 M HA -0.131 4.349 4.480 -0.000 0.000 0.262 73 M C 2.207 178.509 176.300 0.003 0.000 1.067 73 M CA 1.321 56.624 55.300 0.005 0.000 1.124 73 M CB -0.220 32.389 32.600 0.014 0.000 1.353 73 M HN 0.158 nan 8.290 nan 0.000 0.410 74 V N -1.679 118.238 119.914 0.004 0.000 2.809 74 V HA -0.157 3.963 4.120 -0.000 0.000 0.256 74 V C 1.844 177.931 176.094 -0.012 0.000 1.080 74 V CA 1.523 63.825 62.300 0.004 0.000 1.102 74 V CB -0.714 31.113 31.823 0.008 0.000 0.705 74 V HN 0.386 nan 8.190 nan 0.000 0.475 75 K N 0.442 120.832 120.400 -0.017 0.000 2.057 75 K HA -0.150 4.170 4.320 -0.000 0.000 0.206 75 K C 2.292 178.864 176.600 -0.046 0.000 1.050 75 K CA 1.704 57.973 56.287 -0.030 0.000 0.935 75 K CB -0.252 32.233 32.500 -0.026 0.000 0.715 75 K HN 0.727 nan 8.250 nan 0.000 0.439 76 E N 0.995 121.172 120.200 -0.038 0.000 2.049 76 E HA -0.228 4.122 4.350 -0.000 0.000 0.198 76 E C 1.997 178.546 176.600 -0.085 0.000 1.007 76 E CA 2.112 58.482 56.400 -0.049 0.000 0.809 76 E CB -0.025 29.658 29.700 -0.028 0.000 0.749 76 E HN 0.202 nan 8.360 nan 0.000 0.450 77 V N -0.763 119.109 119.914 -0.070 0.000 2.283 77 V HA -0.040 4.080 4.120 -0.000 0.000 0.243 77 V C 2.465 178.432 176.094 -0.212 0.000 1.039 77 V CA 1.849 64.076 62.300 -0.121 0.000 1.016 77 V CB -1.179 30.652 31.823 0.015 0.000 0.650 77 V HN 0.335 nan 8.190 nan 0.000 0.449 78 A N 1.587 124.345 122.820 -0.103 0.000 1.997 78 A HA -0.243 4.077 4.320 -0.000 0.000 0.221 78 A C 2.551 180.047 177.584 -0.148 0.000 1.172 78 A CA 3.164 55.145 52.037 -0.093 0.000 0.645 78 A CB -1.214 17.761 19.000 -0.042 0.000 0.813 78 A HN 1.109 nan 8.150 nan 0.000 0.454 79 S N -0.480 115.127 115.700 -0.155 0.000 2.436 79 S HA -0.086 4.384 4.470 -0.000 0.000 0.228 79 S C 1.708 176.172 174.600 -0.227 0.000 1.014 79 S CA 1.096 59.207 58.200 -0.148 0.000 0.950 79 S CB -0.294 62.842 63.200 -0.106 0.000 0.784 79 S HN 0.629 nan 8.310 nan 0.000 0.504 80 K N 1.632 121.806 120.400 -0.376 0.000 2.211 80 K HA 0.016 4.336 4.320 -0.000 0.000 0.204 80 K C 2.349 178.595 176.600 -0.589 0.000 1.047 80 K CA 1.211 57.160 56.287 -0.563 0.000 0.935 80 K CB -0.456 31.468 32.500 -0.961 0.000 0.728 80 K HN 0.540 nan 8.250 nan 0.000 0.452 81 A N 1.243 123.758 122.820 -0.509 0.000 1.929 81 A HA -0.146 4.174 4.320 -0.000 0.000 0.216 81 A C 1.875 179.427 177.584 -0.055 0.000 1.176 81 A CA 1.507 53.475 52.037 -0.115 0.000 0.628 81 A CB -0.443 18.584 19.000 0.045 0.000 0.816 81 A HN 0.265 nan 8.150 nan 0.000 0.444 82 N N 0.113 118.754 118.700 -0.099 0.000 2.244 82 N HA -0.113 4.627 4.740 -0.000 0.000 0.183 82 N C 1.011 176.464 175.510 -0.095 0.000 1.016 82 N CA 1.363 54.362 53.050 -0.085 0.000 0.866 82 N CB -0.109 38.325 38.487 -0.089 0.000 0.980 82 N HN 0.337 nan 8.380 nan 0.000 0.430 83 D N -0.746 119.596 120.400 -0.097 0.000 2.312 83 D HA 0.013 4.653 4.640 -0.000 0.000 0.211 83 D C 1.354 177.636 176.300 -0.031 0.000 0.964 83 D CA 0.583 54.539 54.000 -0.073 0.000 0.877 83 D CB 0.079 40.834 40.800 -0.074 0.000 0.924 83 D HN 0.404 nan 8.370 nan 0.000 0.515 84 A N 0.290 123.108 122.820 -0.004 0.000 1.956 84 A HA 0.361 4.681 4.320 -0.000 0.000 0.212 84 A C 1.868 179.483 177.584 0.052 0.000 1.188 84 A CA 1.044 53.113 52.037 0.052 0.000 0.675 84 A CB 0.287 19.364 19.000 0.129 0.000 0.845 84 A HN 0.149 nan 8.150 nan 0.000 0.455 85 A N -1.943 120.896 122.820 0.030 0.000 2.571 85 A HA 0.479 4.799 4.320 -0.000 0.000 0.274 85 A C 1.449 179.024 177.584 -0.015 0.000 1.196 85 A CA 0.917 52.974 52.037 0.033 0.000 0.957 85 A CB -0.552 18.473 19.000 0.042 0.000 1.150 85 A HN 1.787 nan 8.150 nan 0.000 0.539 86 G N -0.366 108.370 108.800 -0.107 0.000 2.168 86 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.257 86 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.257 86 G C -0.130 174.683 174.900 -0.145 0.000 0.997 86 G CA 1.010 45.953 45.100 -0.262 0.000 0.708 86 G HN 1.059 nan 8.290 nan 0.000 0.520 87 D N -3.196 117.158 120.400 -0.075 0.000 2.807 87 D HA 0.564 5.204 4.640 -0.000 0.000 0.279 87 D C 0.478 176.766 176.300 -0.020 0.000 1.247 87 D CA 1.328 55.300 54.000 -0.046 0.000 0.749 87 D CB -0.106 40.676 40.800 -0.029 0.000 1.264 87 D HN 1.537 nan 8.370 nan 0.000 0.421 88 G N 0.163 108.954 108.800 -0.014 0.000 2.270 88 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.224 88 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.224 88 G C 0.681 175.580 174.900 -0.001 0.000 1.079 88 G CA 0.586 45.687 45.100 0.001 0.000 0.807 88 G HN 0.505 nan 8.290 nan 0.000 0.492 89 T N 0.125 114.668 114.554 -0.018 0.000 2.904 89 T HA 0.008 4.358 4.350 -0.000 0.000 0.243 89 T C 2.702 177.394 174.700 -0.013 0.000 1.024 89 T CA 2.022 64.107 62.100 -0.024 0.000 1.158 89 T CB -0.300 68.544 68.868 -0.040 0.000 0.867 89 T HN 0.428 nan 8.240 nan 0.000 0.429 90 T N 2.380 116.926 114.554 -0.013 0.000 2.699 90 T HA -0.168 4.182 4.350 -0.000 0.000 0.268 90 T C 2.135 176.835 174.700 -0.000 0.000 1.036 90 T CA 1.904 63.999 62.100 -0.008 0.000 1.147 90 T CB -0.932 67.931 68.868 -0.008 0.000 0.862 90 T HN 0.416 nan 8.240 nan 0.000 0.446 91 T N 2.489 117.045 114.554 0.003 0.000 2.569 91 T HA -0.108 4.242 4.350 -0.000 0.000 0.263 91 T C 2.470 177.181 174.700 0.018 0.000 1.074 91 T CA 1.388 63.494 62.100 0.011 0.000 1.176 91 T CB -0.967 67.909 68.868 0.014 0.000 0.863 91 T HN 0.472 nan 8.240 nan 0.000 0.410 92 A N 1.291 124.127 122.820 0.027 0.000 2.009 92 A HA -0.232 4.088 4.320 -0.000 0.000 0.222 92 A C 2.525 180.127 177.584 0.030 0.000 1.175 92 A CA 2.477 54.539 52.037 0.042 0.000 0.651 92 A CB -1.476 17.558 19.000 0.058 0.000 0.815 92 A HN 0.549 nan 8.150 nan 0.000 0.459 93 T N -0.518 114.045 114.554 0.015 0.000 2.732 93 T HA -0.102 4.248 4.350 -0.000 0.000 0.261 93 T C 2.024 176.732 174.700 0.012 0.000 1.040 93 T CA 1.919 64.025 62.100 0.010 0.000 1.145 93 T CB -0.796 68.073 68.868 0.001 0.000 0.866 93 T HN 0.781 nan 8.240 nan 0.000 0.427 94 V N 0.686 120.606 119.914 0.010 0.000 2.568 94 V HA -0.065 4.055 4.120 -0.000 0.000 0.253 94 V C 2.118 178.220 176.094 0.013 0.000 1.072 94 V CA 1.477 63.783 62.300 0.010 0.000 1.084 94 V CB -1.043 30.785 31.823 0.008 0.000 0.676 94 V HN 0.444 nan 8.190 nan 0.000 0.469 95 L N 0.276 121.509 121.223 0.017 0.000 2.044 95 L HA 0.036 4.376 4.340 -0.000 0.000 0.205 95 L C 3.037 179.919 176.870 0.020 0.000 1.075 95 L CA 1.618 56.470 54.840 0.020 0.000 0.747 95 L CB -0.855 41.220 42.059 0.026 0.000 0.903 95 L HN 0.440 nan 8.230 nan 0.000 0.435 96 A N -0.622 122.212 122.820 0.024 0.000 1.933 96 A HA -0.281 4.039 4.320 -0.000 0.000 0.218 96 A C 2.209 179.803 177.584 0.018 0.000 1.175 96 A CA 1.782 53.833 52.037 0.024 0.000 0.628 96 A CB -0.544 18.473 19.000 0.028 0.000 0.814 96 A HN 0.511 nan 8.150 nan 0.000 0.444 97 Q N -0.394 119.415 119.800 0.015 0.000 2.050 97 Q HA -0.149 4.191 4.340 -0.000 0.000 0.202 97 Q C 2.222 178.228 176.000 0.011 0.000 0.980 97 Q CA 1.747 57.557 55.803 0.012 0.000 0.840 97 Q CB -0.386 28.357 28.738 0.009 0.000 0.898 97 Q HN 0.589 nan 8.270 nan 0.000 0.424 98 A N 1.149 123.976 122.820 0.011 0.000 1.851 98 A HA -0.224 4.096 4.320 -0.000 0.000 0.216 98 A C 2.047 179.637 177.584 0.010 0.000 1.195 98 A CA 1.763 53.806 52.037 0.010 0.000 0.622 98 A CB -0.963 18.043 19.000 0.011 0.000 0.831 98 A HN 0.517 nan 8.150 nan 0.000 0.444 99 I N -0.257 120.320 120.570 0.012 0.000 2.091 99 I HA -0.314 3.856 4.170 -0.000 0.000 0.239 99 I C 2.435 178.559 176.117 0.011 0.000 1.061 99 I CA 1.780 63.087 61.300 0.012 0.000 1.317 99 I CB -0.525 37.484 38.000 0.014 0.000 1.031 99 I HN 0.340 nan 8.210 nan 0.000 0.401 100 I N 0.358 120.935 120.570 0.013 0.000 2.163 100 I HA -0.313 3.857 4.170 -0.000 0.000 0.243 100 I C 2.621 178.743 176.117 0.009 0.000 1.085 100 I CA 1.737 63.044 61.300 0.012 0.000 1.347 100 I CB -0.756 37.252 38.000 0.013 0.000 1.044 100 I HN 0.313 nan 8.210 nan 0.000 0.408 101 T N 0.443 115.002 114.554 0.009 0.000 2.580 101 T HA -0.189 4.161 4.350 -0.000 0.000 0.265 101 T C 1.807 176.510 174.700 0.006 0.000 1.063 101 T CA 1.489 63.593 62.100 0.007 0.000 1.170 101 T CB -0.248 68.624 68.868 0.006 0.000 0.863 101 T HN 0.318 nan 8.240 nan 0.000 0.418 102 E N 0.651 120.855 120.200 0.006 0.000 2.153 102 E HA -0.041 4.309 4.350 -0.000 0.000 0.194 102 E C 2.490 179.093 176.600 0.005 0.000 0.988 102 E CA 1.047 57.450 56.400 0.005 0.000 0.811 102 E CB -0.856 28.847 29.700 0.006 0.000 0.746 102 E HN 0.585 nan 8.360 nan 0.000 0.466 103 G N 1.677 110.481 108.800 0.007 0.000 2.453 103 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.215 103 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.215 103 G C 1.709 176.613 174.900 0.006 0.000 1.201 103 G CA 0.627 45.731 45.100 0.007 0.000 0.784 103 G HN 0.196 nan 8.290 nan 0.000 0.545 104 L N 0.178 121.405 121.223 0.006 0.000 2.191 104 L HA -0.022 4.318 4.340 -0.000 0.000 0.212 104 L C 2.761 179.633 176.870 0.004 0.000 1.103 104 L CA 1.229 56.072 54.840 0.005 0.000 0.769 104 L CB -0.284 41.778 42.059 0.004 0.000 0.908 104 L HN 0.249 nan 8.230 nan 0.000 0.438 105 K N 0.554 120.956 120.400 0.004 0.000 2.057 105 K HA -0.139 4.181 4.320 -0.000 0.000 0.206 105 K C 2.174 178.775 176.600 0.003 0.000 1.050 105 K CA 1.245 57.533 56.287 0.003 0.000 0.935 105 K CB -0.052 32.449 32.500 0.003 0.000 0.715 105 K HN 0.251 nan 8.250 nan 0.000 0.439 106 A N 0.309 123.131 122.820 0.003 0.000 1.969 106 A HA -0.065 4.255 4.320 -0.000 0.000 0.218 106 A C 2.151 179.737 177.584 0.003 0.000 1.169 106 A CA 1.316 53.355 52.037 0.003 0.000 0.635 106 A CB -0.423 18.579 19.000 0.004 0.000 0.810 106 A HN 0.154 nan 8.150 nan 0.000 0.445 107 V N -0.088 119.828 119.914 0.004 0.000 2.307 107 V HA -0.232 3.888 4.120 -0.000 0.000 0.245 107 V C 3.044 179.140 176.094 0.003 0.000 1.045 107 V CA 1.856 64.159 62.300 0.004 0.000 1.024 107 V CB -1.264 30.563 31.823 0.006 0.000 0.651 107 V HN 0.586 nan 8.190 nan 0.000 0.449 108 A N 0.235 123.057 122.820 0.002 0.000 1.978 108 A HA -0.093 4.227 4.320 -0.000 0.000 0.220 108 A C 2.248 179.833 177.584 0.001 0.000 1.170 108 A CA 1.763 53.800 52.037 0.001 0.000 0.636 108 A CB -0.713 18.287 19.000 0.000 0.000 0.810 108 A HN 0.624 nan 8.150 nan 0.000 0.448 109 A N -1.684 121.137 122.820 0.001 0.000 2.264 109 A HA 0.344 4.664 4.320 -0.000 0.000 0.207 109 A C 1.955 179.540 177.584 0.001 0.000 1.196 109 A CA 1.349 53.387 52.037 0.001 0.000 0.778 109 A CB -1.221 17.780 19.000 0.001 0.000 0.779 109 A HN 1.923 nan 8.150 nan 0.000 0.483 110 G N -1.925 106.875 108.800 0.001 0.000 2.225 110 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.254 110 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.254 110 G C 0.414 175.315 174.900 0.002 0.000 0.988 110 G CA 0.438 45.539 45.100 0.001 0.000 0.625 110 G HN 0.448 nan 8.290 nan 0.000 0.527 111 M N 0.494 120.095 119.600 0.002 0.000 2.184 111 M HA 0.155 4.635 4.480 -0.000 0.000 0.296 111 M C 0.885 177.187 176.300 0.004 0.000 1.165 111 M CA -0.063 55.239 55.300 0.003 0.000 1.175 111 M CB 0.079 32.680 32.600 0.003 0.000 1.392 111 M HN 0.271 nan 8.290 nan 0.000 0.457 112 N N 1.139 119.841 118.700 0.004 0.000 2.514 112 N HA 0.177 4.917 4.740 -0.000 0.000 0.277 112 N C -2.288 173.226 175.510 0.006 0.000 1.126 112 N CA -1.535 51.518 53.050 0.005 0.000 0.978 112 N CB 1.516 40.006 38.487 0.004 0.000 1.106 112 N HN 0.199 nan 8.380 nan 0.000 0.461 113 P HA 0.005 nan 4.420 nan 0.000 0.214 113 P C 1.666 178.971 177.300 0.009 0.000 1.162 113 P CA 1.138 64.244 63.100 0.009 0.000 0.874 113 P CB 0.205 31.913 31.700 0.012 0.000 0.784 114 M N -0.480 119.125 119.600 0.009 0.000 2.337 114 M HA -0.151 4.329 4.480 -0.000 0.000 0.261 114 M C 1.193 177.497 176.300 0.006 0.000 1.067 114 M CA 1.575 56.880 55.300 0.008 0.000 1.074 114 M CB -1.428 31.177 32.600 0.008 0.000 1.395 114 M HN 0.045 nan 8.290 nan 0.000 0.431 115 D N -0.246 120.157 120.400 0.005 0.000 2.201 115 D HA 0.052 4.692 4.640 -0.000 0.000 0.209 115 D C 2.250 178.552 176.300 0.004 0.000 0.961 115 D CA 0.571 54.573 54.000 0.004 0.000 0.861 115 D CB 0.145 40.947 40.800 0.004 0.000 0.997 115 D HN 0.303 nan 8.370 nan 0.000 0.486 116 L N 1.294 122.520 121.223 0.005 0.000 2.043 116 L HA -0.218 4.122 4.340 -0.000 0.000 0.212 116 L C 2.579 179.452 176.870 0.005 0.000 1.075 116 L CA 1.257 56.100 54.840 0.005 0.000 0.752 116 L CB -0.348 41.714 42.059 0.006 0.000 0.891 116 L HN 0.023 nan 8.230 nan 0.000 0.432 117 K N 0.531 120.934 120.400 0.006 0.000 1.969 117 K HA -0.263 4.057 4.320 -0.000 0.000 0.216 117 K C 2.298 178.900 176.600 0.003 0.000 1.048 117 K CA 1.734 58.025 56.287 0.006 0.000 0.948 117 K CB -0.182 32.322 32.500 0.007 0.000 0.726 117 K HN 0.030 nan 8.250 nan 0.000 0.442 118 R N -0.232 120.270 120.500 0.003 0.000 2.133 118 R HA -0.149 4.191 4.340 -0.000 0.000 0.247 118 R C 2.303 178.603 176.300 0.000 0.000 1.151 118 R CA 1.870 57.971 56.100 0.001 0.000 0.971 118 R CB -0.682 29.619 30.300 0.001 0.000 0.866 118 R HN 0.519 nan 8.270 nan 0.000 0.447 119 G N 0.282 109.083 108.800 0.001 0.000 2.432 119 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.219 119 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.219 119 G C 1.390 176.291 174.900 0.001 0.000 1.135 119 G CA 0.792 45.893 45.100 0.001 0.000 0.767 119 G HN 0.288 nan 8.290 nan 0.000 0.550 120 I N 0.694 121.265 120.570 0.002 0.000 2.277 120 I HA -0.066 4.104 4.170 -0.000 0.000 0.243 120 I C 2.081 178.197 176.117 -0.002 0.000 1.094 120 I CA 0.903 62.204 61.300 0.001 0.000 1.393 120 I CB -0.101 37.901 38.000 0.003 0.000 1.078 120 I HN 0.011 nan 8.210 nan 0.000 0.417 121 D N 0.851 121.249 120.400 -0.003 0.000 2.218 121 D HA -0.206 4.434 4.640 -0.000 0.000 0.204 121 D C 1.986 178.281 176.300 -0.009 0.000 0.976 121 D CA 1.114 55.109 54.000 -0.008 0.000 0.853 121 D CB -0.090 40.705 40.800 -0.008 0.000 0.939 121 D HN 0.318 nan 8.370 nan 0.000 0.481 122 K N 0.784 121.180 120.400 -0.005 0.000 2.007 122 K HA -0.001 4.319 4.320 -0.000 0.000 0.206 122 K C 2.079 178.676 176.600 -0.004 0.000 1.047 122 K CA 1.059 57.343 56.287 -0.005 0.000 0.937 122 K CB -0.075 32.423 32.500 -0.003 0.000 0.718 122 K HN -0.038 nan 8.250 nan 0.000 0.438 123 A N 0.716 123.534 122.820 -0.002 0.000 2.042 123 A HA -0.145 4.175 4.320 -0.000 0.000 0.222 123 A C 2.151 179.733 177.584 -0.003 0.000 1.167 123 A CA 1.858 53.895 52.037 -0.001 0.000 0.649 123 A CB -0.611 18.390 19.000 0.001 0.000 0.809 123 A HN 0.218 nan 8.150 nan 0.000 0.457 124 V N -1.685 118.225 119.914 -0.006 0.000 2.331 124 V HA -0.148 3.972 4.120 -0.000 0.000 0.242 124 V C 2.611 178.697 176.094 -0.014 0.000 1.034 124 V CA 2.174 64.467 62.300 -0.011 0.000 1.027 124 V CB -1.112 30.701 31.823 -0.017 0.000 0.667 124 V HN 0.542 nan 8.190 nan 0.000 0.457 125 T N 0.295 114.839 114.554 -0.016 0.000 2.714 125 T HA -0.281 4.069 4.350 -0.000 0.000 0.268 125 T C 1.888 176.581 174.700 -0.011 0.000 1.036 125 T CA 2.010 64.100 62.100 -0.017 0.000 1.148 125 T CB -0.296 68.564 68.868 -0.014 0.000 0.856 125 T HN 0.567 nan 8.240 nan 0.000 0.462 126 A N 0.839 123.655 122.820 -0.007 0.000 1.855 126 A HA 0.338 4.658 4.320 -0.000 0.000 0.213 126 A C 2.643 180.225 177.584 -0.002 0.000 1.195 126 A CA 1.587 53.622 52.037 -0.004 0.000 0.610 126 A CB -1.146 17.853 19.000 -0.001 0.000 0.837 126 A HN 0.509 nan 8.150 nan 0.000 0.444 127 A N -0.446 122.373 122.820 -0.002 0.000 2.032 127 A HA -0.038 4.282 4.320 -0.000 0.000 0.221 127 A C 2.164 179.747 177.584 -0.002 0.000 1.165 127 A CA 1.886 53.923 52.037 0.000 0.000 0.645 127 A CB -0.826 18.175 19.000 0.001 0.000 0.807 127 A HN 0.389 nan 8.150 nan 0.000 0.453 128 V N -0.078 119.831 119.914 -0.007 0.000 2.453 128 V HA -0.157 3.962 4.120 -0.000 0.000 0.247 128 V C 2.496 178.587 176.094 -0.005 0.000 1.048 128 V CA 1.949 64.243 62.300 -0.010 0.000 1.049 128 V CB -0.557 31.254 31.823 -0.020 0.000 0.672 128 V HN 0.512 nan 8.190 nan 0.000 0.457 129 E N 0.011 120.209 120.200 -0.004 0.000 2.107 129 E HA -0.190 4.160 4.350 -0.000 0.000 0.191 129 E C 2.143 178.745 176.600 0.003 0.000 0.982 129 E CA 0.856 57.255 56.400 -0.001 0.000 0.809 129 E CB -0.146 29.553 29.700 -0.001 0.000 0.756 129 E HN 0.585 nan 8.360 nan 0.000 0.459 130 E N 0.413 120.615 120.200 0.004 0.000 2.472 130 E HA -0.101 4.249 4.350 -0.000 0.000 0.200 130 E C 1.612 178.218 176.600 0.010 0.000 1.046 130 E CA 0.206 56.611 56.400 0.007 0.000 0.871 130 E CB -0.005 29.700 29.700 0.008 0.000 0.806 130 E HN 0.057 nan 8.360 nan 0.000 0.533 131 L N -0.247 120.980 121.223 0.007 0.000 2.357 131 L HA 0.165 4.505 4.340 -0.000 0.000 0.211 131 L C 1.612 178.488 176.870 0.009 0.000 1.075 131 L CA 1.000 55.846 54.840 0.009 0.000 0.830 131 L CB 0.075 42.138 42.059 0.007 0.000 0.996 131 L HN -0.102 nan 8.230 nan 0.000 0.467 132 K N -0.525 119.879 120.400 0.007 0.000 2.211 132 K HA -0.032 4.288 4.320 -0.000 0.000 0.203 132 K C 1.967 178.572 176.600 0.009 0.000 1.050 132 K CA 1.079 57.370 56.287 0.007 0.000 0.945 132 K CB -0.146 32.357 32.500 0.005 0.000 0.732 132 K HN 0.388 nan 8.250 nan 0.000 0.451 133 A N 1.217 124.042 122.820 0.010 0.000 1.929 133 A HA -0.059 4.261 4.320 -0.000 0.000 0.216 133 A C 1.991 179.583 177.584 0.014 0.000 1.176 133 A CA 0.776 52.819 52.037 0.011 0.000 0.628 133 A CB -0.361 18.645 19.000 0.010 0.000 0.816 133 A HN 0.236 nan 8.150 nan 0.000 0.444 134 L N -0.120 121.113 121.223 0.016 0.000 2.291 134 L HA 0.014 4.354 4.340 -0.000 0.000 0.214 134 L C 1.290 178.171 176.870 0.019 0.000 1.120 134 L CA 0.453 55.306 54.840 0.020 0.000 0.799 134 L CB -0.059 42.014 42.059 0.023 0.000 0.925 134 L HN 0.362 nan 8.230 nan 0.000 0.446 135 S N 0.169 115.878 115.700 0.016 0.000 2.509 135 S HA 0.077 4.547 4.470 -0.000 0.000 0.287 135 S C -0.050 174.559 174.600 0.015 0.000 1.248 135 S CA -0.559 57.650 58.200 0.015 0.000 1.089 135 S CB 0.245 63.453 63.200 0.013 0.000 0.900 135 S HN 0.069 nan 8.310 nan 0.000 0.496 136 V N 9.367 129.290 119.914 0.015 0.000 2.455 136 V HA 0.252 4.372 4.120 -0.000 0.000 0.273 136 V C -1.679 174.423 176.094 0.012 0.000 1.045 136 V CA -1.573 60.735 62.300 0.014 0.000 0.976 136 V CB 0.525 32.357 31.823 0.015 0.000 0.993 136 V HN 0.763 nan 8.190 nan 0.000 0.475 137 P HA 0.083 nan 4.420 nan 0.000 0.272 137 P C -0.432 176.874 177.300 0.010 0.000 1.243 137 P CA -0.135 62.971 63.100 0.010 0.000 0.803 137 P CB 0.335 32.040 31.700 0.009 0.000 0.974 138 C N 0.637 119.943 119.300 0.009 0.000 3.212 138 C HA 0.404 4.864 4.460 -0.000 0.000 0.367 138 C C 0.749 175.743 174.990 0.007 0.000 0.979 138 C CA 0.062 59.085 59.018 0.008 0.000 1.283 138 C CB -1.195 26.550 27.740 0.009 0.000 1.644 138 C HN 0.532 nan 8.230 nan 0.000 0.575 139 S N 1.403 117.107 115.700 0.006 0.000 2.741 139 S HA 0.154 4.624 4.470 -0.000 0.000 0.245 139 S C 0.190 174.792 174.600 0.004 0.000 1.083 139 S CA 0.188 58.391 58.200 0.005 0.000 0.873 139 S CB 0.084 63.287 63.200 0.005 0.000 0.814 139 S HN 0.943 nan 8.310 nan 0.000 0.476 140 D N 2.496 122.898 120.400 0.004 0.000 2.390 140 D HA 0.059 4.699 4.640 -0.000 0.000 0.249 140 D C 0.951 177.252 176.300 0.002 0.000 1.144 140 D CA 0.205 54.207 54.000 0.003 0.000 0.880 140 D CB 1.095 41.897 40.800 0.003 0.000 1.182 140 D HN 0.217 nan 8.370 nan 0.000 0.451 141 S N 1.633 117.334 115.700 0.001 0.000 2.559 141 S HA -0.265 4.205 4.470 -0.000 0.000 0.250 141 S C 1.404 176.004 174.600 0.000 0.000 0.977 141 S CA 0.885 59.085 58.200 -0.000 0.000 0.958 141 S CB -0.361 62.839 63.200 -0.001 0.000 0.751 141 S HN 0.639 nan 8.310 nan 0.000 0.534 142 K N 0.783 121.183 120.400 0.001 0.000 2.243 142 K HA 0.209 4.529 4.320 -0.000 0.000 0.201 142 K C 2.089 178.690 176.600 0.002 0.000 1.051 142 K CA 0.804 57.092 56.287 0.001 0.000 0.970 142 K CB -0.380 32.121 32.500 0.002 0.000 0.755 142 K HN 0.454 nan 8.250 nan 0.000 0.465 143 A N 1.099 123.921 122.820 0.003 0.000 1.911 143 A HA 0.061 4.381 4.320 -0.000 0.000 0.212 143 A C 1.958 179.544 177.584 0.003 0.000 1.189 143 A CA 0.429 52.468 52.037 0.003 0.000 0.639 143 A CB -0.348 18.655 19.000 0.005 0.000 0.839 143 A HN 0.231 nan 8.150 nan 0.000 0.449 144 I N 0.304 120.876 120.570 0.002 0.000 2.091 144 I HA -0.355 3.815 4.170 -0.000 0.000 0.239 144 I C 2.911 179.028 176.117 0.000 0.000 1.061 144 I CA 1.426 62.727 61.300 0.001 0.000 1.317 144 I CB -0.357 37.643 38.000 -0.001 0.000 1.031 144 I HN 0.350 nan 8.210 nan 0.000 0.401 145 A N -0.329 122.490 122.820 -0.000 0.000 2.131 145 A HA -0.287 4.033 4.320 -0.000 0.000 0.220 145 A C 2.147 179.731 177.584 -0.000 0.000 1.158 145 A CA 2.090 54.126 52.037 -0.001 0.000 0.665 145 A CB -0.543 18.456 19.000 -0.001 0.000 0.795 145 A HN 0.550 nan 8.150 nan 0.000 0.460 146 Q N -0.841 118.959 119.800 0.001 0.000 2.165 146 Q HA 0.023 4.363 4.340 -0.000 0.000 0.197 146 Q C 1.759 177.760 176.000 0.001 0.000 0.952 146 Q CA 1.528 57.332 55.803 0.001 0.000 0.848 146 Q CB -0.190 28.549 28.738 0.002 0.000 0.931 146 Q HN 0.281 nan 8.270 nan 0.000 0.470 147 V N 0.335 120.251 119.914 0.003 0.000 2.307 147 V HA -0.126 3.994 4.120 -0.000 0.000 0.245 147 V C 2.234 178.331 176.094 0.005 0.000 1.045 147 V CA 1.863 64.166 62.300 0.005 0.000 1.024 147 V CB -1.290 30.537 31.823 0.007 0.000 0.651 147 V HN 0.602 nan 8.190 nan 0.000 0.449 148 G N -0.504 108.299 108.800 0.004 0.000 2.475 148 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.220 148 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.220 148 G C 1.676 176.578 174.900 0.003 0.000 1.125 148 G CA 1.707 46.810 45.100 0.004 0.000 0.755 148 G HN 0.473 nan 8.290 nan 0.000 0.565 149 T N 1.254 115.808 114.554 0.001 0.000 2.668 149 T HA -0.024 4.326 4.350 -0.000 0.000 0.262 149 T C 2.407 177.106 174.700 -0.001 0.000 1.045 149 T CA 0.999 63.099 62.100 -0.001 0.000 1.152 149 T CB -0.203 68.664 68.868 -0.002 0.000 0.864 149 T HN 0.258 nan 8.240 nan 0.000 0.419 150 I N 1.206 121.775 120.570 -0.002 0.000 2.335 150 I HA -0.118 4.052 4.170 -0.000 0.000 0.251 150 I C 1.405 177.520 176.117 -0.003 0.000 1.129 150 I CA 0.845 62.142 61.300 -0.004 0.000 1.402 150 I CB -0.305 37.691 38.000 -0.005 0.000 1.069 150 I HN 0.063 nan 8.210 nan 0.000 0.424 151 S N 1.235 116.936 115.700 0.002 0.000 3.324 151 S HA 0.492 4.962 4.470 -0.000 0.000 0.229 151 S C 0.469 175.072 174.600 0.006 0.000 1.417 151 S CA 0.272 58.476 58.200 0.005 0.000 1.211 151 S CB -0.129 63.079 63.200 0.014 0.000 1.157 151 S HN 0.473 nan 8.310 nan 0.000 0.491 152 A N 1.604 124.424 122.820 0.001 0.000 2.297 152 A HA 0.372 4.691 4.320 -0.000 0.000 0.230 152 A C 0.327 177.909 177.584 -0.003 0.000 2.091 152 A CA -0.862 51.176 52.037 0.001 0.000 1.861 152 A CB -0.947 18.054 19.000 0.003 0.000 0.755 152 A HN 0.345 nan 8.150 nan 0.000 0.905 153 N N 0.703 119.399 118.700 -0.006 0.000 2.666 153 N HA -0.216 4.524 4.740 -0.000 0.000 0.248 153 N C 0.406 175.911 175.510 -0.009 0.000 1.118 153 N CA 1.705 54.749 53.050 -0.009 0.000 0.722 153 N CB -1.044 37.438 38.487 -0.009 0.000 1.050 153 N HN 1.213 nan 8.380 nan 0.000 0.550 154 S N -1.782 113.913 115.700 -0.008 0.000 3.867 154 S HA -0.194 4.276 4.470 -0.000 0.000 0.334 154 S C -0.454 174.143 174.600 -0.006 0.000 1.069 154 S CA 0.579 58.775 58.200 -0.007 0.000 0.977 154 S CB -0.819 62.375 63.200 -0.009 0.000 0.889 154 S HN 0.595 nan 8.310 nan 0.000 0.484 155 D N 1.413 121.811 120.400 -0.004 0.000 2.479 155 D HA 0.195 4.835 4.640 -0.000 0.000 0.218 155 D C 1.149 177.447 176.300 -0.003 0.000 1.131 155 D CA -0.350 53.648 54.000 -0.003 0.000 0.916 155 D CB 0.422 41.221 40.800 -0.003 0.000 1.022 155 D HN 0.464 nan 8.370 nan 0.000 0.515 156 E N 1.247 121.445 120.200 -0.003 0.000 2.396 156 E HA -0.129 4.221 4.350 -0.000 0.000 0.200 156 E C 1.139 177.737 176.600 -0.003 0.000 1.023 156 E CA 0.860 57.258 56.400 -0.003 0.000 0.857 156 E CB 0.371 30.070 29.700 -0.003 0.000 0.775 156 E HN 0.499 nan 8.360 nan 0.000 0.525 157 T N 0.457 115.010 114.554 -0.003 0.000 2.732 157 T HA -0.107 4.243 4.350 -0.000 0.000 0.261 157 T C 2.161 176.859 174.700 -0.003 0.000 1.040 157 T CA 0.983 63.081 62.100 -0.003 0.000 1.145 157 T CB -0.240 68.626 68.868 -0.003 0.000 0.866 157 T HN -0.007 nan 8.240 nan 0.000 0.427 158 V N 1.776 121.689 119.914 -0.003 0.000 2.231 158 V HA -0.190 3.930 4.120 -0.000 0.000 0.248 158 V C 2.911 179.003 176.094 -0.003 0.000 1.054 158 V CA 2.168 64.466 62.300 -0.003 0.000 1.015 158 V CB -1.570 30.253 31.823 -0.001 0.000 0.638 158 V HN 0.623 nan 8.190 nan 0.000 0.444 159 G N -0.470 108.328 108.800 -0.002 0.000 2.513 159 G HA2 -0.391 3.569 3.960 -0.000 0.000 0.219 159 G HA3 -0.391 3.569 3.960 -0.000 0.000 0.219 159 G C 1.648 176.546 174.900 -0.003 0.000 1.160 159 G CA 1.411 46.510 45.100 -0.002 0.000 0.767 159 G HN 0.522 nan 8.290 nan 0.000 0.571 160 K N -0.066 120.332 120.400 -0.003 0.000 2.026 160 K HA 0.034 4.354 4.320 -0.000 0.000 0.208 160 K C 2.533 179.129 176.600 -0.005 0.000 1.048 160 K CA 1.015 57.300 56.287 -0.004 0.000 0.929 160 K CB -0.334 32.164 32.500 -0.003 0.000 0.713 160 K HN 0.345 nan 8.250 nan 0.000 0.439 161 L N 1.135 122.354 121.223 -0.006 0.000 2.013 161 L HA -0.247 4.093 4.340 -0.000 0.000 0.212 161 L C 2.426 179.290 176.870 -0.010 0.000 1.073 161 L CA 1.431 56.266 54.840 -0.008 0.000 0.753 161 L CB -0.286 41.768 42.059 -0.008 0.000 0.890 161 L HN 0.328 nan 8.230 nan 0.000 0.432 162 I N -0.600 119.964 120.570 -0.010 0.000 2.127 162 I HA -0.356 3.814 4.170 -0.000 0.000 0.241 162 I C 2.786 178.896 176.117 -0.012 0.000 1.075 162 I CA 1.349 62.641 61.300 -0.013 0.000 1.334 162 I CB -0.601 37.392 38.000 -0.012 0.000 1.040 162 I HN 0.300 nan 8.210 nan 0.000 0.405 163 A N 0.700 123.515 122.820 -0.008 0.000 1.873 163 A HA -0.285 4.035 4.320 -0.000 0.000 0.218 163 A C 2.168 179.748 177.584 -0.007 0.000 1.193 163 A CA 2.163 54.196 52.037 -0.007 0.000 0.629 163 A CB -0.878 18.119 19.000 -0.005 0.000 0.826 163 A HN 0.513 nan 8.150 nan 0.000 0.447 164 E N -0.411 119.785 120.200 -0.007 0.000 2.171 164 E HA -0.166 4.184 4.350 -0.000 0.000 0.197 164 E C 2.223 178.818 176.600 -0.009 0.000 0.997 164 E CA 0.956 57.352 56.400 -0.007 0.000 0.810 164 E CB -0.300 29.396 29.700 -0.007 0.000 0.738 164 E HN 0.669 nan 8.360 nan 0.000 0.467 165 A N 1.293 124.107 122.820 -0.011 0.000 1.843 165 A HA -0.110 4.210 4.320 -0.000 0.000 0.213 165 A C 2.172 179.748 177.584 -0.013 0.000 1.202 165 A CA 0.956 52.985 52.037 -0.013 0.000 0.607 165 A CB -0.427 18.562 19.000 -0.018 0.000 0.847 165 A HN 0.089 nan 8.150 nan 0.000 0.445 166 M N -0.328 119.263 119.600 -0.014 0.000 2.260 166 M HA -0.213 4.267 4.480 -0.000 0.000 0.261 166 M C 1.714 178.008 176.300 -0.009 0.000 1.066 166 M CA 2.019 57.311 55.300 -0.013 0.000 1.082 166 M CB -0.655 31.938 32.600 -0.011 0.000 1.388 166 M HN 0.597 nan 8.290 nan 0.000 0.419 167 D N 0.473 120.868 120.400 -0.008 0.000 2.183 167 D HA -0.109 4.531 4.640 -0.000 0.000 0.203 167 D C 1.817 178.113 176.300 -0.006 0.000 0.969 167 D CA 1.206 55.203 54.000 -0.006 0.000 0.842 167 D CB 0.187 40.983 40.800 -0.005 0.000 0.957 167 D HN 0.236 nan 8.370 nan 0.000 0.484 168 K N -0.635 119.761 120.400 -0.007 0.000 2.186 168 K HA 0.016 4.336 4.320 -0.000 0.000 0.202 168 K C 1.603 178.199 176.600 -0.007 0.000 1.052 168 K CA 1.109 57.392 56.287 -0.007 0.000 0.965 168 K CB 0.628 33.124 32.500 -0.008 0.000 0.746 168 K HN 0.212 nan 8.250 nan 0.000 0.457 169 V N -3.461 116.448 119.914 -0.008 0.000 3.477 169 V HA 0.395 4.515 4.120 -0.000 0.000 0.297 169 V C 0.460 176.550 176.094 -0.007 0.000 1.433 169 V CA -0.063 62.232 62.300 -0.008 0.000 1.052 169 V CB 0.073 31.890 31.823 -0.011 0.000 0.895 169 V HN 0.283 nan 8.190 nan 0.000 0.438 170 G N 1.260 110.056 108.800 -0.007 0.000 2.699 170 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.686 170 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.686 170 G C 0.008 174.904 174.900 -0.007 0.000 1.301 170 G CA -0.014 45.083 45.100 -0.005 0.000 0.816 170 G HN 0.270 nan 8.290 nan 0.000 0.595 171 K N 0.042 120.439 120.400 -0.005 0.000 2.209 171 K HA -0.063 4.257 4.320 -0.000 0.000 0.204 171 K C 1.661 178.258 176.600 -0.006 0.000 1.048 171 K CA 1.646 57.930 56.287 -0.005 0.000 0.940 171 K CB 0.022 32.521 32.500 -0.001 0.000 0.729 171 K HN 0.497 nan 8.250 nan 0.000 0.451 172 E N 0.350 120.548 120.200 -0.004 0.000 2.479 172 E HA 0.049 4.399 4.350 -0.000 0.000 0.193 172 E C 1.057 177.654 176.600 -0.006 0.000 1.049 172 E CA 0.040 56.438 56.400 -0.003 0.000 0.870 172 E CB 0.185 29.886 29.700 0.002 0.000 0.944 172 E HN 0.280 nan 8.360 nan 0.000 0.492 173 G N 1.135 109.930 108.800 -0.009 0.000 2.527 173 G HA2 0.209 4.169 3.960 -0.000 0.000 0.279 173 G HA3 0.209 4.169 3.960 -0.000 0.000 0.279 173 G C 0.012 174.901 174.900 -0.018 0.000 1.374 173 G CA -0.270 44.823 45.100 -0.012 0.000 1.053 173 G HN 0.029 nan 8.290 nan 0.000 0.539 174 V N -0.062 119.839 119.914 -0.021 0.000 2.407 174 V HA 0.484 4.604 4.120 -0.000 0.000 0.291 174 V C -0.270 175.803 176.094 -0.036 0.000 1.018 174 V CA -0.513 61.769 62.300 -0.030 0.000 0.842 174 V CB 1.185 32.993 31.823 -0.024 0.000 0.996 174 V HN 0.511 nan 8.190 nan 0.000 0.426 175 I N 3.442 123.982 120.570 -0.050 0.000 2.406 175 I HA 0.565 4.735 4.170 -0.000 0.000 0.290 175 I C 0.088 176.170 176.117 -0.058 0.000 0.999 175 I CA -0.127 61.142 61.300 -0.050 0.000 1.124 175 I CB 2.145 40.112 38.000 -0.055 0.000 1.289 175 I HN 0.546 nan 8.210 nan 0.000 0.441 176 T N 5.310 119.838 114.554 -0.044 0.000 2.885 176 T HA 0.563 4.913 4.350 -0.000 0.000 0.285 176 T C -0.364 174.316 174.700 -0.033 0.000 1.019 176 T CA -0.514 61.561 62.100 -0.041 0.000 1.010 176 T CB 2.322 71.170 68.868 -0.033 0.000 1.022 176 T HN 0.191 nan 8.240 nan 0.000 0.466 177 V N 3.279 123.176 119.914 -0.029 0.000 2.448 177 V HA 0.504 4.624 4.120 -0.000 0.000 0.295 177 V C -0.086 175.999 176.094 -0.014 0.000 1.025 177 V CA -0.705 61.583 62.300 -0.020 0.000 0.859 177 V CB 1.568 33.380 31.823 -0.018 0.000 0.988 177 V HN 0.872 nan 8.190 nan 0.000 0.431 178 E N 1.924 122.116 120.200 -0.012 0.000 2.428 178 E HA 0.451 4.801 4.350 -0.000 0.000 0.259 178 E C -1.424 175.172 176.600 -0.008 0.000 0.930 178 E CA -1.081 55.313 56.400 -0.010 0.000 0.823 178 E CB 1.534 31.227 29.700 -0.012 0.000 1.403 178 E HN 0.565 nan 8.360 nan 0.000 0.415 179 D N 0.552 120.948 120.400 -0.007 0.000 2.341 179 D HA 0.244 4.884 4.640 -0.000 0.000 0.245 179 D C -0.011 176.285 176.300 -0.006 0.000 1.106 179 D CA 0.119 54.115 54.000 -0.006 0.000 0.905 179 D CB 1.266 42.063 40.800 -0.005 0.000 1.202 179 D HN 0.468 nan 8.370 nan 0.000 0.426 180 G N -0.615 108.182 108.800 -0.006 0.000 2.504 180 G HA2 0.313 4.273 3.960 -0.000 0.000 0.288 180 G HA3 0.313 4.273 3.960 -0.000 0.000 0.288 180 G C 0.660 175.557 174.900 -0.006 0.000 1.182 180 G CA -0.497 44.600 45.100 -0.006 0.000 0.894 180 G HN 0.421 nan 8.290 nan 0.000 0.521 181 T N -2.371 112.179 114.554 -0.006 0.000 3.273 181 T HA 0.547 4.897 4.350 -0.000 0.000 0.254 181 T C 0.972 175.670 174.700 -0.005 0.000 1.002 181 T CA 0.507 62.604 62.100 -0.006 0.000 0.913 181 T CB -0.354 68.510 68.868 -0.006 0.000 1.056 181 T HN 1.911 nan 8.240 nan 0.000 0.576 182 G N 0.897 109.695 108.800 -0.004 0.000 2.278 182 G HA2 0.166 4.126 3.960 -0.000 0.000 0.265 182 G HA3 0.166 4.126 3.960 -0.000 0.000 0.265 182 G C -1.435 173.463 174.900 -0.004 0.000 1.329 182 G CA -0.634 44.464 45.100 -0.004 0.000 1.017 182 G HN 0.396 nan 8.290 nan 0.000 0.472 183 L N 0.854 122.075 121.223 -0.003 0.000 2.464 183 L HA 0.611 4.951 4.340 -0.000 0.000 0.264 183 L C 0.380 177.248 176.870 -0.003 0.000 1.199 183 L CA 0.743 55.581 54.840 -0.003 0.000 0.818 183 L CB 0.382 42.439 42.059 -0.003 0.000 1.102 183 L HN 1.029 nan 8.230 nan 0.000 0.473 184 Q N 2.075 121.873 119.800 -0.004 0.000 3.182 184 Q HA -0.093 4.247 4.340 -0.000 0.000 0.046 184 Q C -1.453 174.544 176.000 -0.004 0.000 1.680 184 Q CA 0.295 56.095 55.803 -0.004 0.000 0.262 184 Q CB -0.268 28.468 28.738 -0.004 0.000 0.583 184 Q HN 0.653 nan 8.270 nan 0.000 0.322 185 D N 2.594 122.991 120.400 -0.005 0.000 2.253 185 D HA 0.374 5.014 4.640 -0.000 0.000 0.249 185 D C -0.165 176.131 176.300 -0.006 0.000 1.049 185 D CA -0.164 53.833 54.000 -0.005 0.000 0.929 185 D CB 1.086 41.883 40.800 -0.006 0.000 1.176 185 D HN 0.329 nan 8.370 nan 0.000 0.437 186 E N 0.019 120.215 120.200 -0.007 0.000 2.317 186 E HA 0.600 4.950 4.350 -0.000 0.000 0.270 186 E C -1.164 175.431 176.600 -0.008 0.000 0.885 186 E CA -0.939 55.457 56.400 -0.007 0.000 0.760 186 E CB 2.719 32.415 29.700 -0.007 0.000 1.227 186 E HN 0.134 nan 8.360 nan 0.000 0.434 187 L N 2.266 123.484 121.223 -0.008 0.000 2.505 187 L HA 0.571 4.911 4.340 -0.000 0.000 0.259 187 L C -2.250 174.615 176.870 -0.009 0.000 0.952 187 L CA -0.230 54.604 54.840 -0.010 0.000 0.840 187 L CB 2.083 44.136 42.059 -0.010 0.000 1.358 187 L HN 0.692 nan 8.230 nan 0.000 0.409 188 D N 2.687 123.081 120.400 -0.010 0.000 2.783 188 D HA 0.287 4.927 4.640 -0.000 0.000 0.253 188 D C -1.589 174.705 176.300 -0.010 0.000 1.206 188 D CA -0.418 53.577 54.000 -0.009 0.000 0.740 188 D CB 1.461 42.256 40.800 -0.008 0.000 1.313 188 D HN 0.403 nan 8.370 nan 0.000 0.427 189 V N 0.142 120.051 119.914 -0.008 0.000 2.539 189 V HA 0.630 4.750 4.120 -0.000 0.000 0.292 189 V C 0.565 176.655 176.094 -0.007 0.000 1.045 189 V CA -0.612 61.684 62.300 -0.008 0.000 0.945 189 V CB 1.248 33.067 31.823 -0.007 0.000 0.993 189 V HN 0.620 nan 8.190 nan 0.000 0.464 190 V N 0.765 120.675 119.914 -0.007 0.000 3.001 190 V HA 0.640 4.760 4.120 -0.000 0.000 0.314 190 V C -0.300 175.793 176.094 -0.002 0.000 1.099 190 V CA -1.070 61.227 62.300 -0.005 0.000 0.989 190 V CB 2.084 33.903 31.823 -0.007 0.000 1.040 190 V HN 0.703 nan 8.190 nan 0.000 0.434 191 E N 2.266 122.466 120.200 0.000 0.000 2.271 191 E HA 0.453 4.803 4.350 -0.000 0.000 0.255 191 E C 0.339 176.944 176.600 0.008 0.000 1.177 191 E CA 0.869 57.272 56.400 0.004 0.000 0.946 191 E CB 0.522 30.225 29.700 0.005 0.000 1.009 191 E HN 1.097 nan 8.360 nan 0.000 0.451 192 G N 1.593 110.399 108.800 0.011 0.000 2.827 192 G HA2 0.736 4.696 3.960 -0.000 0.000 0.296 192 G HA3 0.736 4.696 3.960 -0.000 0.000 0.296 192 G C -0.996 173.922 174.900 0.029 0.000 1.362 192 G CA -0.598 44.513 45.100 0.017 0.000 0.809 192 G HN 0.393 nan 8.290 nan 0.000 0.522 193 M N -0.546 119.078 119.600 0.040 0.000 2.732 193 M HA 0.562 5.042 4.480 -0.000 0.000 0.272 193 M C -2.394 173.941 176.300 0.057 0.000 1.203 193 M CA -0.678 54.663 55.300 0.068 0.000 0.841 193 M CB 2.475 35.145 32.600 0.116 0.000 1.685 193 M HN 0.696 nan 8.290 nan 0.000 0.492 194 Q N 3.065 122.909 119.800 0.073 0.000 2.280 194 Q HA 0.536 4.876 4.340 -0.000 0.000 0.259 194 Q C -2.279 173.763 176.000 0.070 0.000 0.964 194 Q CA -0.637 55.151 55.803 -0.025 0.000 0.844 194 Q CB 1.654 30.352 28.738 -0.067 0.000 1.334 194 Q HN 0.590 nan 8.270 nan 0.000 0.423 195 F N 0.186 120.134 119.950 -0.003 0.000 2.575 195 F HA 0.575 5.102 4.527 -0.000 0.000 0.330 195 F C -0.161 175.637 175.800 -0.003 0.000 1.056 195 F CA -1.224 56.775 58.000 -0.001 0.000 0.964 195 F CB 0.946 39.947 39.000 0.001 0.000 1.258 195 F HN 0.301 nan 8.300 nan 0.000 0.484 196 D N 2.633 123.145 120.400 0.186 0.000 2.713 196 D HA 0.151 4.791 4.640 -0.000 0.000 0.229 196 D C -0.216 176.145 176.300 0.101 0.000 1.136 196 D CA 0.196 54.245 54.000 0.081 0.000 1.010 196 D CB -0.040 40.803 40.800 0.072 0.000 1.084 196 D HN 0.251 nan 8.370 nan 0.000 0.495 197 R N 0.254 120.800 120.500 0.077 0.000 2.575 197 R HA 0.549 4.889 4.340 -0.000 0.000 0.293 197 R C 0.362 176.629 176.300 -0.056 0.000 0.983 197 R CA -0.725 55.425 56.100 0.083 0.000 0.887 197 R CB 2.251 32.724 30.300 0.289 0.000 1.184 197 R HN 0.185 nan 8.270 nan 0.000 0.445 198 G N 1.091 109.825 108.800 -0.110 0.000 2.531 198 G HA2 0.418 4.378 3.960 -0.000 0.000 0.313 198 G HA3 0.418 4.378 3.960 -0.000 0.000 0.313 198 G C -0.663 174.119 174.900 -0.196 0.000 1.238 198 G CA -0.544 44.398 45.100 -0.264 0.000 0.994 198 G HN 0.459 nan 8.290 nan 0.000 0.493 199 Y N -1.226 119.079 120.300 0.008 0.000 2.578 199 Y HA 0.295 4.845 4.550 -0.000 0.000 0.339 199 Y C 1.159 177.101 175.900 0.069 0.000 1.231 199 Y CA -1.065 57.041 58.100 0.010 0.000 1.461 199 Y CB 0.444 38.945 38.460 0.068 0.000 1.323 199 Y HN 0.168 nan 8.280 nan 0.000 0.590 200 L N 2.113 123.496 121.223 0.266 0.000 2.650 200 L HA 0.118 4.458 4.340 -0.000 0.000 0.235 200 L C 0.444 177.567 176.870 0.421 0.000 1.149 200 L CA 0.732 55.734 54.840 0.269 0.000 0.887 200 L CB -0.545 41.630 42.059 0.193 0.000 1.021 200 L HN 0.849 nan 8.230 nan 0.000 0.441 201 S N -2.028 114.046 115.700 0.623 0.000 2.756 201 S HA 0.236 4.706 4.470 -0.000 0.000 0.295 201 S C -2.644 172.157 174.600 0.336 0.000 0.945 201 S CA -0.929 57.562 58.200 0.484 0.000 0.838 201 S CB 1.097 64.529 63.200 0.386 0.000 1.042 201 S HN -0.209 nan 8.310 nan 0.000 0.467 202 P HA 0.347 nan 4.420 nan 0.000 0.335 202 P C 0.304 177.449 177.300 -0.258 0.000 1.416 202 P CA 0.663 63.490 63.100 -0.454 0.000 0.828 202 P CB -0.014 31.385 31.700 -0.501 0.000 1.966 203 Y N -4.682 115.477 120.300 -0.235 0.000 2.742 203 Y HA -0.333 4.217 4.550 -0.000 0.000 0.485 203 Y C 1.989 177.762 175.900 -0.211 0.000 1.119 203 Y CA 1.686 59.641 58.100 -0.243 0.000 2.917 203 Y CB -3.039 35.218 38.460 -0.338 0.000 0.951 203 Y HN 0.093 nan 8.280 nan 0.000 0.562 204 F N 0.763 120.730 119.950 0.028 0.000 2.184 204 F HA -0.176 4.351 4.527 -0.000 0.000 0.301 204 F C 1.553 177.315 175.800 -0.063 0.000 1.076 204 F CA 1.372 59.366 58.000 -0.011 0.000 1.295 204 F CB -0.833 38.161 39.000 -0.011 0.000 1.026 204 F HN 0.014 nan 8.300 nan 0.000 0.494 205 I N 1.914 122.493 120.570 0.015 0.000 3.017 205 I HA -0.217 3.953 4.170 -0.000 0.000 0.310 205 I C 0.606 176.720 176.117 -0.005 0.000 1.220 205 I CA 0.826 62.090 61.300 -0.060 0.000 1.450 205 I CB -0.007 37.885 38.000 -0.180 0.000 1.317 205 I HN 0.257 nan 8.210 nan 0.000 0.570 206 N N 2.683 121.386 118.700 0.005 0.000 2.036 206 N HA 0.074 4.814 4.740 -0.000 0.000 0.228 206 N C -0.265 175.248 175.510 0.005 0.000 1.368 206 N CA -0.331 52.726 53.050 0.012 0.000 0.846 206 N CB 0.523 39.027 38.487 0.029 0.000 1.145 206 N HN 0.392 nan 8.380 nan 0.000 0.502 207 K N 1.309 121.709 120.400 0.000 0.000 3.206 207 K HA 0.297 4.617 4.320 -0.000 0.000 0.180 207 K C -2.079 174.518 176.600 -0.004 0.000 1.088 207 K CA -1.291 54.997 56.287 0.002 0.000 0.872 207 K CB 1.731 34.237 32.500 0.010 0.000 0.976 207 K HN 0.064 nan 8.250 nan 0.000 0.564 208 P HA -0.181 nan 4.420 nan 0.000 0.225 208 P C 0.408 177.700 177.300 -0.013 0.000 1.141 208 P CA 1.148 64.234 63.100 -0.023 0.000 0.774 208 P CB 0.480 32.163 31.700 -0.029 0.000 0.760 209 E N -0.172 120.025 120.200 -0.005 0.000 2.204 209 E HA -0.094 4.256 4.350 -0.000 0.000 0.194 209 E C 1.798 178.399 176.600 0.001 0.000 0.989 209 E CA 1.958 58.357 56.400 -0.002 0.000 0.824 209 E CB -0.866 28.835 29.700 0.002 0.000 0.756 209 E HN 0.463 nan 8.360 nan 0.000 0.477 210 T N -5.082 109.477 114.554 0.008 0.000 3.004 210 T HA 0.365 4.715 4.350 -0.000 0.000 0.266 210 T C 1.292 176.007 174.700 0.024 0.000 0.986 210 T CA 0.003 62.114 62.100 0.018 0.000 0.902 210 T CB 0.711 69.600 68.868 0.035 0.000 1.118 210 T HN 0.193 nan 8.240 nan 0.000 0.522 211 G N 1.367 110.175 108.800 0.014 0.000 2.298 211 G HA2 0.234 4.194 3.960 -0.000 0.000 0.287 211 G HA3 0.234 4.194 3.960 -0.000 0.000 0.287 211 G C 0.064 175.000 174.900 0.060 0.000 1.075 211 G CA -0.042 45.067 45.100 0.015 0.000 0.960 211 G HN 1.274 nan 8.290 nan 0.000 0.502 212 A N -1.355 121.491 122.820 0.043 0.000 2.569 212 A HA 0.962 5.282 4.320 -0.000 0.000 0.290 212 A C 0.070 177.680 177.584 0.043 0.000 1.136 212 A CA -0.091 51.996 52.037 0.084 0.000 0.710 212 A CB 1.667 20.719 19.000 0.088 0.000 1.303 212 A HN 1.277 nan 8.150 nan 0.000 0.413 213 V N 0.030 119.986 119.914 0.070 0.000 3.262 213 V HA 0.727 4.847 4.120 -0.000 0.000 0.313 213 V C 0.113 176.227 176.094 0.035 0.000 1.070 213 V CA -0.280 62.051 62.300 0.052 0.000 1.049 213 V CB 1.556 33.417 31.823 0.064 0.000 1.157 213 V HN 0.966 nan 8.190 nan 0.000 0.454 214 E N 0.788 121.004 120.200 0.026 0.000 2.647 214 E HA 0.450 4.800 4.350 -0.000 0.000 0.320 214 E C -2.170 174.437 176.600 0.011 0.000 0.951 214 E CA -0.439 55.969 56.400 0.012 0.000 0.809 214 E CB 1.230 30.937 29.700 0.011 0.000 1.295 214 E HN 0.581 nan 8.360 nan 0.000 0.407 215 L N 2.925 124.148 121.223 0.000 0.000 2.386 215 L HA 0.545 4.885 4.340 -0.000 0.000 0.271 215 L C -0.374 176.485 176.870 -0.019 0.000 0.993 215 L CA -0.929 53.909 54.840 -0.003 0.000 0.819 215 L CB 2.137 44.195 42.059 -0.000 0.000 1.294 215 L HN 0.478 nan 8.230 nan 0.000 0.414 216 E N 1.137 121.322 120.200 -0.024 0.000 2.174 216 E HA 0.234 4.584 4.350 -0.000 0.000 0.282 216 E C -0.093 176.465 176.600 -0.070 0.000 0.992 216 E CA -0.370 56.006 56.400 -0.039 0.000 0.803 216 E CB 1.314 30.996 29.700 -0.030 0.000 1.090 216 E HN 0.629 nan 8.360 nan 0.000 0.396 217 S N 2.353 118.002 115.700 -0.086 0.000 3.491 217 S HA -0.138 4.332 4.470 -0.000 0.000 0.371 217 S C -1.992 172.471 174.600 -0.228 0.000 0.980 217 S CA 0.346 58.461 58.200 -0.141 0.000 1.204 217 S CB -1.327 61.791 63.200 -0.137 0.000 0.915 217 S HN 0.520 nan 8.310 nan 0.000 0.482 218 P HA 0.413 nan 4.420 nan 0.000 0.277 218 P C -0.098 177.052 177.300 -0.250 0.000 1.276 218 P CA -0.458 62.541 63.100 -0.169 0.000 0.788 218 P CB 0.477 32.151 31.700 -0.042 0.000 1.114 219 F N -0.716 119.241 119.950 0.013 0.000 2.458 219 F HA 0.463 4.990 4.527 -0.000 0.000 0.330 219 F C 0.627 176.436 175.800 0.015 0.000 1.082 219 F CA -0.613 57.395 58.000 0.013 0.000 0.995 219 F CB 0.974 39.981 39.000 0.012 0.000 1.170 219 F HN 0.024 nan 8.300 nan 0.000 0.478 220 I N 4.657 125.383 120.570 0.259 0.000 2.382 220 I HA 0.267 4.437 4.170 -0.000 0.000 0.286 220 I C -1.194 174.990 176.117 0.112 0.000 1.002 220 I CA -0.953 60.435 61.300 0.147 0.000 1.135 220 I CB 1.677 39.745 38.000 0.113 0.000 1.288 220 I HN 0.239 nan 8.210 nan 0.000 0.448 221 L N 8.310 129.579 121.223 0.077 0.000 2.261 221 L HA 0.452 4.792 4.340 -0.000 0.000 0.289 221 L C -0.819 176.067 176.870 0.028 0.000 1.059 221 L CA -0.015 54.848 54.840 0.039 0.000 0.816 221 L CB 0.569 42.643 42.059 0.025 0.000 1.191 221 L HN 0.475 nan 8.230 nan 0.000 0.431 222 L N 6.403 127.636 121.223 0.016 0.000 2.283 222 L HA 0.709 5.049 4.340 -0.000 0.000 0.281 222 L C -0.126 176.741 176.870 -0.006 0.000 1.033 222 L CA -0.431 54.410 54.840 0.002 0.000 0.848 222 L CB 1.023 43.080 42.059 -0.004 0.000 1.226 222 L HN 0.794 nan 8.230 nan 0.000 0.429 223 A N 1.986 124.803 122.820 -0.006 0.000 2.335 223 A HA 0.402 4.722 4.320 -0.000 0.000 0.304 223 A C -0.832 176.747 177.584 -0.008 0.000 1.118 223 A CA -0.591 51.442 52.037 -0.006 0.000 0.757 223 A CB 1.218 20.217 19.000 -0.001 0.000 1.188 223 A HN 0.649 nan 8.150 nan 0.000 0.460 224 D N 2.777 123.170 120.400 -0.011 0.000 2.435 224 D HA 0.466 5.106 4.640 -0.000 0.000 0.230 224 D C -0.073 176.226 176.300 -0.002 0.000 1.215 224 D CA 0.412 54.405 54.000 -0.011 0.000 0.947 224 D CB -0.397 40.393 40.800 -0.016 0.000 1.048 224 D HN 0.634 nan 8.370 nan 0.000 0.512 225 K N 0.682 121.084 120.400 0.004 0.000 3.076 225 K HA 0.195 4.515 4.320 -0.000 0.000 0.314 225 K C -1.238 175.371 176.600 0.015 0.000 1.113 225 K CA -1.159 55.134 56.287 0.009 0.000 0.860 225 K CB 0.343 32.847 32.500 0.007 0.000 1.435 225 K HN -0.036 nan 8.250 nan 0.000 0.374 226 K N 0.813 121.224 120.400 0.019 0.000 2.098 226 K HA 0.528 4.848 4.320 -0.000 0.000 0.257 226 K C -0.522 176.092 176.600 0.023 0.000 0.999 226 K CA -0.594 55.707 56.287 0.024 0.000 0.924 226 K CB 0.758 33.274 32.500 0.025 0.000 1.028 226 K HN 0.413 nan 8.250 nan 0.000 0.466 227 I N 1.387 121.974 120.570 0.028 0.000 2.497 227 I HA 0.075 4.245 4.170 -0.000 0.000 0.284 227 I C -0.131 176.007 176.117 0.034 0.000 1.060 227 I CA -0.121 61.196 61.300 0.028 0.000 1.071 227 I CB 2.056 40.074 38.000 0.029 0.000 1.216 227 I HN 0.589 nan 8.210 nan 0.000 0.442 228 S N 3.285 119.003 115.700 0.029 0.000 2.687 228 S HA 0.269 4.739 4.470 -0.000 0.000 0.247 228 S C 0.256 174.871 174.600 0.025 0.000 1.050 228 S CA -0.292 57.926 58.200 0.030 0.000 1.063 228 S CB 0.251 63.466 63.200 0.026 0.000 1.039 228 S HN 0.558 nan 8.310 nan 0.000 0.580 229 N N 1.706 120.419 118.700 0.022 0.000 2.483 229 N HA 0.359 5.099 4.740 -0.000 0.000 0.267 229 N C 0.313 175.833 175.510 0.017 0.000 0.998 229 N CA -0.203 52.858 53.050 0.017 0.000 0.918 229 N CB 1.743 40.238 38.487 0.013 0.000 1.215 229 N HN 0.123 nan 8.380 nan 0.000 0.500 230 I N 2.103 122.684 120.570 0.019 0.000 2.530 230 I HA -0.230 3.940 4.170 -0.000 0.000 0.257 230 I C 2.271 178.396 176.117 0.012 0.000 1.179 230 I CA 1.186 62.497 61.300 0.019 0.000 1.440 230 I CB 0.191 38.203 38.000 0.019 0.000 1.087 230 I HN 0.450 nan 8.210 nan 0.000 0.440 231 R N 1.108 121.614 120.500 0.009 0.000 2.303 231 R HA -0.191 4.149 4.340 -0.000 0.000 0.225 231 R C 1.353 177.655 176.300 0.004 0.000 1.114 231 R CA 1.586 57.689 56.100 0.005 0.000 1.007 231 R CB -0.109 30.193 30.300 0.004 0.000 0.861 231 R HN 0.567 nan 8.270 nan 0.000 0.471 232 E N -0.996 119.207 120.200 0.005 0.000 2.476 232 E HA 0.014 4.364 4.350 -0.000 0.000 0.199 232 E C 1.334 177.935 176.600 0.001 0.000 1.021 232 E CA -0.025 56.377 56.400 0.003 0.000 0.907 232 E CB 0.412 30.115 29.700 0.005 0.000 0.974 232 E HN 0.278 nan 8.360 nan 0.000 0.489 233 M N 0.100 119.702 119.600 0.004 0.000 2.552 233 M HA 0.090 4.570 4.480 -0.000 0.000 0.264 233 M C 2.158 178.456 176.300 -0.002 0.000 1.159 233 M CA 0.687 55.989 55.300 0.003 0.000 1.176 233 M CB -0.600 32.008 32.600 0.014 0.000 1.327 233 M HN 0.125 nan 8.290 nan 0.000 0.481 234 L N 1.099 122.323 121.223 0.000 0.000 2.040 234 L HA -0.273 4.067 4.340 -0.000 0.000 0.228 234 L C -0.169 176.695 176.870 -0.010 0.000 1.092 234 L CA 2.099 56.938 54.840 -0.002 0.000 0.805 234 L CB -2.788 39.270 42.059 -0.002 0.000 0.905 234 L HN 0.190 nan 8.230 nan 0.000 0.443 235 P HA -0.143 nan 4.420 nan 0.000 0.214 235 P C 1.256 178.537 177.300 -0.031 0.000 1.163 235 P CA 1.741 64.829 63.100 -0.020 0.000 0.889 235 P CB -0.037 31.652 31.700 -0.019 0.000 0.790 236 V N -0.088 119.804 119.914 -0.036 0.000 3.110 236 V HA 0.173 4.293 4.120 -0.000 0.000 0.368 236 V C 1.842 177.905 176.094 -0.052 0.000 1.332 236 V CA 0.254 62.520 62.300 -0.058 0.000 1.287 236 V CB -0.336 31.448 31.823 -0.066 0.000 1.277 236 V HN 0.054 nan 8.190 nan 0.000 0.502 237 L N -1.117 120.089 121.223 -0.029 0.000 2.713 237 L HA 0.316 4.656 4.340 -0.000 0.000 0.223 237 L C 2.125 178.994 176.870 -0.003 0.000 1.040 237 L CA 0.652 55.486 54.840 -0.010 0.000 0.894 237 L CB 0.694 42.757 42.059 0.007 0.000 1.361 237 L HN 0.193 nan 8.230 nan 0.000 0.490 238 E N 0.559 120.755 120.200 -0.006 0.000 2.285 238 E HA -0.049 4.301 4.350 -0.000 0.000 0.194 238 E C 1.784 178.380 176.600 -0.006 0.000 0.997 238 E CA 0.790 57.190 56.400 0.000 0.000 0.845 238 E CB 0.076 29.775 29.700 -0.001 0.000 0.782 238 E HN 0.544 nan 8.360 nan 0.000 0.491 239 A N 0.732 123.537 122.820 -0.024 0.000 2.239 239 A HA -0.010 4.310 4.320 -0.000 0.000 0.209 239 A C 1.963 179.520 177.584 -0.045 0.000 1.171 239 A CA 0.564 52.578 52.037 -0.039 0.000 0.768 239 A CB 0.152 19.114 19.000 -0.065 0.000 0.790 239 A HN 0.091 nan 8.150 nan 0.000 0.478 240 V N -1.590 118.310 119.914 -0.024 0.000 3.661 240 V HA 0.110 4.230 4.120 -0.000 0.000 0.271 240 V C 2.463 178.599 176.094 0.071 0.000 1.315 240 V CA 0.844 63.156 62.300 0.020 0.000 1.072 240 V CB 0.052 31.885 31.823 0.017 0.000 0.830 240 V HN 0.505 nan 8.190 nan 0.000 0.443 241 A N -0.070 122.776 122.820 0.043 0.000 2.014 241 A HA -0.009 4.311 4.320 -0.000 0.000 0.218 241 A C 1.342 178.955 177.584 0.049 0.000 1.163 241 A CA 0.876 52.941 52.037 0.045 0.000 0.652 241 A CB -0.123 18.894 19.000 0.029 0.000 0.808 241 A HN 0.483 nan 8.150 nan 0.000 0.449 242 K N -1.801 118.626 120.400 0.045 0.000 2.126 242 K HA 0.446 4.766 4.320 -0.000 0.000 0.257 242 K C 0.967 177.616 176.600 0.083 0.000 1.007 242 K CA 0.335 56.651 56.287 0.048 0.000 0.928 242 K CB 0.597 33.116 32.500 0.032 0.000 1.013 242 K HN 0.591 nan 8.250 nan 0.000 0.473 243 A N 1.382 124.250 122.820 0.080 0.000 3.930 243 A HA -0.249 4.071 4.320 -0.000 0.000 0.267 243 A C 1.428 179.068 177.584 0.093 0.000 0.971 243 A CA 1.833 53.933 52.037 0.106 0.000 1.197 243 A CB -2.424 16.694 19.000 0.195 0.000 1.073 243 A HN 1.372 nan 8.150 nan 0.000 0.871 244 G N -1.165 107.687 108.800 0.086 0.000 2.216 244 G HA2 -0.406 3.554 3.960 -0.000 0.000 0.269 244 G HA3 -0.406 3.554 3.960 -0.000 0.000 0.269 244 G C 0.175 175.119 174.900 0.073 0.000 0.981 244 G CA 1.511 46.652 45.100 0.068 0.000 0.658 244 G HN 1.254 nan 8.290 nan 0.000 0.539 245 K N 2.167 122.631 120.400 0.106 0.000 2.395 245 K HA 0.220 4.540 4.320 -0.000 0.000 0.283 245 K C -1.771 174.905 176.600 0.126 0.000 1.068 245 K CA -0.944 55.375 56.287 0.052 0.000 1.039 245 K CB 0.668 33.124 32.500 -0.074 0.000 0.924 245 K HN 0.268 nan 8.250 nan 0.000 0.468 246 P HA -0.098 nan 4.420 nan 0.000 0.269 246 P C -0.767 176.613 177.300 0.134 0.000 1.211 246 P CA -0.232 62.918 63.100 0.085 0.000 0.781 246 P CB 0.567 32.293 31.700 0.044 0.000 0.877 247 L N 2.398 123.701 121.223 0.134 0.000 2.385 247 L HA 0.540 4.880 4.340 -0.000 0.000 0.273 247 L C -1.293 175.628 176.870 0.084 0.000 0.990 247 L CA -0.997 53.935 54.840 0.153 0.000 0.821 247 L CB 1.514 43.661 42.059 0.147 0.000 1.279 247 L HN 0.179 nan 8.230 nan 0.000 0.412 248 L N 6.077 127.351 121.223 0.085 0.000 2.287 248 L HA 0.621 4.961 4.340 -0.000 0.000 0.287 248 L C -1.104 175.794 176.870 0.047 0.000 1.022 248 L CA -0.182 54.682 54.840 0.040 0.000 0.814 248 L CB 1.097 43.185 42.059 0.048 0.000 1.217 248 L HN 0.438 nan 8.230 nan 0.000 0.420 249 I N 6.792 127.372 120.570 0.017 0.000 2.336 249 I HA 0.347 4.517 4.170 -0.000 0.000 0.292 249 I C -0.194 175.940 176.117 0.029 0.000 0.991 249 I CA -0.315 61.000 61.300 0.025 0.000 1.227 249 I CB 1.296 39.308 38.000 0.019 0.000 1.366 249 I HN 0.554 nan 8.210 nan 0.000 0.466 250 I N 5.617 126.208 120.570 0.035 0.000 2.420 250 I HA 0.601 4.771 4.170 -0.000 0.000 0.282 250 I C 0.020 176.143 176.117 0.009 0.000 1.019 250 I CA -0.217 61.103 61.300 0.033 0.000 1.130 250 I CB 1.641 39.659 38.000 0.030 0.000 1.262 250 I HN 0.719 nan 8.210 nan 0.000 0.454 251 A N 4.495 127.323 122.820 0.013 0.000 2.569 251 A HA 0.407 4.727 4.320 -0.000 0.000 0.290 251 A C 0.731 178.323 177.584 0.012 0.000 1.136 251 A CA -0.563 51.479 52.037 0.008 0.000 0.710 251 A CB 1.487 20.497 19.000 0.017 0.000 1.303 251 A HN 0.742 nan 8.150 nan 0.000 0.413 252 E N -0.494 119.713 120.200 0.012 0.000 2.219 252 E HA -0.160 4.190 4.350 -0.000 0.000 0.198 252 E C -0.305 176.315 176.600 0.032 0.000 0.998 252 E CA 1.777 58.189 56.400 0.021 0.000 0.818 252 E CB 0.106 29.820 29.700 0.024 0.000 0.741 252 E HN 0.606 nan 8.360 nan 0.000 0.477 253 D N -2.286 118.134 120.400 0.034 0.000 3.020 253 D HA 0.056 4.696 4.640 -0.000 0.000 0.268 253 D C -1.998 174.329 176.300 0.045 0.000 1.078 253 D CA -0.406 53.620 54.000 0.042 0.000 0.725 253 D CB 1.151 41.976 40.800 0.042 0.000 1.639 253 D HN -0.123 nan 8.370 nan 0.000 0.455 254 V N 2.516 122.464 119.914 0.058 0.000 2.444 254 V HA 0.588 4.708 4.120 -0.000 0.000 0.294 254 V C -0.233 175.903 176.094 0.071 0.000 1.022 254 V CA -0.509 61.830 62.300 0.065 0.000 0.850 254 V CB 1.661 33.533 31.823 0.082 0.000 0.992 254 V HN 0.439 nan 8.190 nan 0.000 0.426 255 E N 2.400 122.635 120.200 0.058 0.000 2.277 255 E HA 0.638 4.988 4.350 -0.000 0.000 0.266 255 E C 0.902 177.531 176.600 0.048 0.000 0.901 255 E CA -0.156 56.276 56.400 0.053 0.000 0.782 255 E CB 2.230 31.955 29.700 0.041 0.000 1.228 255 E HN 0.801 nan 8.360 nan 0.000 0.424 256 G N 2.412 111.239 108.800 0.045 0.000 2.684 256 G HA2 -0.494 3.466 3.960 -0.000 0.000 0.358 256 G HA3 -0.494 3.466 3.960 -0.000 0.000 0.358 256 G C 1.219 176.136 174.900 0.029 0.000 1.164 256 G CA 1.097 46.217 45.100 0.034 0.000 0.935 256 G HN 0.704 nan 8.290 nan 0.000 0.574 257 E N 1.390 121.603 120.200 0.022 0.000 2.048 257 E HA -0.220 4.130 4.350 -0.000 0.000 0.202 257 E C 2.984 179.598 176.600 0.024 0.000 1.021 257 E CA 2.659 59.070 56.400 0.017 0.000 0.825 257 E CB -0.730 28.978 29.700 0.014 0.000 0.756 257 E HN 0.822 nan 8.360 nan 0.000 0.454 258 A N 1.317 124.157 122.820 0.034 0.000 1.845 258 A HA -0.191 4.129 4.320 -0.000 0.000 0.215 258 A C 2.315 179.938 177.584 0.065 0.000 1.195 258 A CA 1.744 53.808 52.037 0.045 0.000 0.616 258 A CB -0.977 18.051 19.000 0.047 0.000 0.832 258 A HN 0.366 nan 8.150 nan 0.000 0.443 259 L N -0.066 121.204 121.223 0.079 0.000 1.971 259 L HA -0.156 4.184 4.340 -0.000 0.000 0.215 259 L C 2.694 179.610 176.870 0.076 0.000 1.072 259 L CA 2.699 57.609 54.840 0.116 0.000 0.758 259 L CB -1.057 41.073 42.059 0.119 0.000 0.889 259 L HN 0.385 nan 8.230 nan 0.000 0.433 260 A N -1.461 121.379 122.820 0.033 0.000 1.873 260 A HA -0.279 4.041 4.320 -0.000 0.000 0.218 260 A C 2.279 179.841 177.584 -0.037 0.000 1.193 260 A CA 2.750 54.776 52.037 -0.018 0.000 0.629 260 A CB -1.502 17.487 19.000 -0.018 0.000 0.826 260 A HN 0.577 nan 8.150 nan 0.000 0.447 261 T N 0.412 114.961 114.554 -0.009 0.000 2.760 261 T HA -0.161 4.189 4.350 -0.000 0.000 0.269 261 T C 1.709 176.405 174.700 -0.007 0.000 1.047 261 T CA 1.670 63.764 62.100 -0.010 0.000 1.139 261 T CB -0.401 68.472 68.868 0.008 0.000 0.855 261 T HN 0.401 nan 8.240 nan 0.000 0.471 262 L N 0.288 121.528 121.223 0.028 0.000 2.102 262 L HA 0.024 4.364 4.340 -0.000 0.000 0.202 262 L C 2.602 179.442 176.870 -0.050 0.000 1.076 262 L CA 0.584 55.464 54.840 0.068 0.000 0.761 262 L CB -0.615 41.572 42.059 0.213 0.000 0.921 262 L HN 0.108 nan 8.230 nan 0.000 0.444 263 V N -0.414 119.400 119.914 -0.168 0.000 2.688 263 V HA -0.233 3.887 4.120 -0.000 0.000 0.256 263 V C 2.374 178.258 176.094 -0.349 0.000 1.084 263 V CA 1.171 63.210 62.300 -0.434 0.000 1.103 263 V CB -0.468 31.122 31.823 -0.388 0.000 0.688 263 V HN 0.187 nan 8.190 nan 0.000 0.480 264 V N 0.623 120.408 119.914 -0.214 0.000 2.231 264 V HA -0.244 3.876 4.120 -0.000 0.000 0.240 264 V C 2.130 178.145 176.094 -0.130 0.000 1.039 264 V CA 2.451 64.644 62.300 -0.178 0.000 0.998 264 V CB -0.846 30.908 31.823 -0.114 0.000 0.639 264 V HN 0.600 nan 8.190 nan 0.000 0.451 265 N N 0.404 119.059 118.700 -0.075 0.000 2.247 265 N HA -0.230 4.510 4.740 -0.000 0.000 0.189 265 N C 1.740 177.233 175.510 -0.030 0.000 1.009 265 N CA 1.795 54.823 53.050 -0.036 0.000 0.872 265 N CB -0.239 38.248 38.487 0.000 0.000 0.980 265 N HN 0.733 nan 8.380 nan 0.000 0.436 266 T N -1.215 113.307 114.554 -0.052 0.000 2.881 266 T HA -0.069 4.281 4.350 -0.000 0.000 0.270 266 T C 1.720 176.399 174.700 -0.036 0.000 1.068 266 T CA 0.927 63.013 62.100 -0.024 0.000 1.131 266 T CB -0.059 68.778 68.868 -0.052 0.000 0.871 266 T HN 0.055 nan 8.240 nan 0.000 0.479 267 M N 0.383 119.939 119.600 -0.075 0.000 2.394 267 M HA 0.328 4.808 4.480 -0.000 0.000 0.266 267 M C 2.057 178.332 176.300 -0.041 0.000 1.098 267 M CA 0.791 56.056 55.300 -0.057 0.000 1.149 267 M CB -0.073 32.474 32.600 -0.089 0.000 1.369 267 M HN 0.025 nan 8.290 nan 0.000 0.450 268 R N 0.100 120.572 120.500 -0.045 0.000 2.404 268 R HA 0.219 4.559 4.340 -0.000 0.000 0.236 268 R C 1.230 177.521 176.300 -0.015 0.000 1.044 268 R CA 0.495 56.576 56.100 -0.032 0.000 1.133 268 R CB -0.614 29.664 30.300 -0.036 0.000 1.142 268 R HN 0.569 nan 8.270 nan 0.000 0.512 269 G N 1.755 110.550 108.800 -0.008 0.000 2.335 269 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.264 269 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.264 269 G C 0.543 175.450 174.900 0.012 0.000 0.990 269 G CA 0.584 45.687 45.100 0.005 0.000 0.647 269 G HN 0.436 nan 8.290 nan 0.000 0.561 270 I N 1.589 122.163 120.570 0.007 0.000 2.624 270 I HA 0.290 4.460 4.170 -0.000 0.000 0.307 270 I C 0.587 176.719 176.117 0.026 0.000 1.191 270 I CA 0.144 61.451 61.300 0.013 0.000 1.708 270 I CB -0.510 37.493 38.000 0.006 0.000 1.521 270 I HN 0.137 nan 8.210 nan 0.000 0.805 271 V N 4.519 124.455 119.914 0.035 0.000 3.379 271 V HA -0.209 3.911 4.120 -0.000 0.000 0.484 271 V C 0.157 176.293 176.094 0.070 0.000 0.682 271 V CA -0.169 62.163 62.300 0.053 0.000 2.029 271 V CB -0.785 31.071 31.823 0.055 0.000 2.475 271 V HN 0.944 nan 8.190 nan 0.000 0.502 272 K N 4.068 124.515 120.400 0.079 0.000 2.300 272 K HA 0.731 5.051 4.320 -0.000 0.000 0.264 272 K C -0.546 176.128 176.600 0.122 0.000 1.083 272 K CA -0.612 55.737 56.287 0.103 0.000 0.958 272 K CB 1.907 34.455 32.500 0.080 0.000 1.318 272 K HN 1.040 nan 8.250 nan 0.000 0.448 273 V N -0.906 119.108 119.914 0.168 0.000 2.823 273 V HA 0.931 5.051 4.120 -0.000 0.000 0.312 273 V C -0.675 175.495 176.094 0.126 0.000 1.072 273 V CA -0.977 61.403 62.300 0.134 0.000 0.937 273 V CB 1.535 33.430 31.823 0.121 0.000 1.013 273 V HN 0.800 nan 8.190 nan 0.000 0.430 274 A N 2.471 125.218 122.820 -0.121 0.000 2.435 274 A HA 1.069 5.389 4.320 -0.000 0.000 0.304 274 A C -0.257 177.068 177.584 -0.432 0.000 1.064 274 A CA -0.250 51.400 52.037 -0.644 0.000 0.727 274 A CB 1.829 20.551 19.000 -0.462 0.000 1.284 274 A HN 2.414 nan 8.150 nan 0.000 0.415 275 A N 0.582 123.070 122.820 -0.553 0.000 2.475 275 A HA 0.868 5.188 4.320 -0.000 0.000 0.301 275 A C -0.520 176.986 177.584 -0.130 0.000 1.059 275 A CA -0.057 51.859 52.037 -0.201 0.000 0.710 275 A CB 1.421 20.369 19.000 -0.085 0.000 1.288 275 A HN 2.307 nan 8.150 nan 0.000 0.408 276 V N -1.441 118.466 119.914 -0.012 0.000 3.159 276 V HA 0.627 4.747 4.120 -0.000 0.000 0.308 276 V C -0.422 175.722 176.094 0.082 0.000 1.190 276 V CA -1.293 61.035 62.300 0.048 0.000 1.037 276 V CB 1.530 33.400 31.823 0.078 0.000 1.060 276 V HN 0.873 nan 8.190 nan 0.000 0.437 277 K N 1.544 121.996 120.400 0.087 0.000 2.382 277 K HA 0.589 4.909 4.320 -0.000 0.000 0.275 277 K C 0.556 177.198 176.600 0.070 0.000 1.009 277 K CA 0.405 56.735 56.287 0.072 0.000 0.970 277 K CB 1.218 33.757 32.500 0.065 0.000 0.934 277 K HN 1.116 nan 8.250 nan 0.000 0.479 278 A N 4.933 127.758 122.820 0.007 0.000 2.492 278 A HA 0.162 4.482 4.320 -0.000 0.000 0.236 278 A C -2.059 175.475 177.584 -0.084 0.000 1.078 278 A CA -0.823 51.160 52.037 -0.090 0.000 0.773 278 A CB -0.364 18.588 19.000 -0.080 0.000 1.023 278 A HN 0.498 nan 8.150 nan 0.000 0.504 279 P HA 0.424 nan 4.420 nan 0.000 0.278 279 P C 0.685 177.976 177.300 -0.014 0.000 1.238 279 P CA 1.254 64.292 63.100 -0.102 0.000 0.794 279 P CB 0.889 32.429 31.700 -0.267 0.000 0.955 280 G N 2.248 111.094 108.800 0.078 0.000 2.601 280 G HA2 -0.114 3.846 3.960 -0.000 0.000 0.261 280 G HA3 -0.114 3.846 3.960 -0.000 0.000 0.261 280 G C -0.721 174.338 174.900 0.266 0.000 1.289 280 G CA 0.360 45.560 45.100 0.166 0.000 0.920 280 G HN 0.794 nan 8.290 nan 0.000 0.571 281 F N -2.681 117.269 119.950 0.000 0.000 2.741 281 F HA 0.768 5.295 4.527 -0.000 0.000 0.313 281 F C 0.821 176.625 175.800 0.006 0.000 1.153 281 F CA 0.491 58.493 58.000 0.003 0.000 0.931 281 F CB 0.897 39.905 39.000 0.013 0.000 1.335 281 F HN 2.560 nan 8.300 nan 0.000 0.460 282 G N 1.444 110.135 108.800 -0.181 0.000 2.525 282 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.248 282 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.248 282 G C 0.046 174.832 174.900 -0.189 0.000 1.238 282 G CA 0.396 45.320 45.100 -0.293 0.000 0.926 282 G HN 0.911 nan 8.290 nan 0.000 0.574 283 D N 0.354 120.639 120.400 -0.191 0.000 2.224 283 D HA -0.010 4.630 4.640 -0.000 0.000 0.205 283 D C 2.569 178.792 176.300 -0.129 0.000 0.965 283 D CA 1.026 54.952 54.000 -0.123 0.000 0.852 283 D CB -0.125 40.617 40.800 -0.098 0.000 0.947 283 D HN 0.475 nan 8.370 nan 0.000 0.494 284 R N 0.707 121.099 120.500 -0.180 0.000 2.081 284 R HA -0.055 4.285 4.340 -0.000 0.000 0.235 284 R C 2.386 178.615 176.300 -0.119 0.000 1.131 284 R CA 0.694 56.706 56.100 -0.148 0.000 0.960 284 R CB -0.161 30.036 30.300 -0.172 0.000 0.856 284 R HN 0.102 nan 8.270 nan 0.000 0.436 285 R N 1.730 122.160 120.500 -0.118 0.000 2.083 285 R HA -0.181 4.159 4.340 -0.000 0.000 0.237 285 R C 1.777 178.028 176.300 -0.080 0.000 1.137 285 R CA 1.807 57.860 56.100 -0.078 0.000 0.951 285 R CB -0.041 30.241 30.300 -0.031 0.000 0.851 285 R HN 0.139 nan 8.270 nan 0.000 0.434 286 K N -0.239 120.118 120.400 -0.072 0.000 2.103 286 K HA -0.113 4.207 4.320 -0.000 0.000 0.207 286 K C 2.084 178.646 176.600 -0.064 0.000 1.048 286 K CA 1.538 57.789 56.287 -0.060 0.000 0.930 286 K CB -0.131 32.339 32.500 -0.051 0.000 0.716 286 K HN 0.247 nan 8.250 nan 0.000 0.444 287 A N 1.075 123.852 122.820 -0.071 0.000 1.897 287 A HA -0.101 4.219 4.320 -0.000 0.000 0.215 287 A C 2.110 179.650 177.584 -0.073 0.000 1.181 287 A CA 1.222 53.220 52.037 -0.066 0.000 0.620 287 A CB -0.378 18.581 19.000 -0.067 0.000 0.821 287 A HN 0.150 nan 8.150 nan 0.000 0.443 288 M N -0.635 118.911 119.600 -0.090 0.000 2.159 288 M HA -0.080 4.400 4.480 -0.000 0.000 0.263 288 M C 2.143 178.365 176.300 -0.130 0.000 1.063 288 M CA 1.149 56.384 55.300 -0.109 0.000 1.110 288 M CB -0.496 32.024 32.600 -0.133 0.000 1.374 288 M HN 0.388 nan 8.290 nan 0.000 0.411 289 L N 0.086 121.233 121.223 -0.125 0.000 2.043 289 L HA -0.285 4.055 4.340 -0.000 0.000 0.212 289 L C 2.701 179.523 176.870 -0.081 0.000 1.075 289 L CA 1.493 56.262 54.840 -0.119 0.000 0.752 289 L CB -0.409 41.598 42.059 -0.088 0.000 0.891 289 L HN 0.338 nan 8.230 nan 0.000 0.432 290 Q N 0.405 120.167 119.800 -0.063 0.000 2.020 290 Q HA -0.233 4.107 4.340 -0.000 0.000 0.202 290 Q C 1.606 177.583 176.000 -0.038 0.000 0.982 290 Q CA 2.200 57.977 55.803 -0.043 0.000 0.838 290 Q CB -0.244 28.471 28.738 -0.038 0.000 0.899 290 Q HN 0.409 nan 8.270 nan 0.000 0.423 291 D N -0.071 120.302 120.400 -0.045 0.000 2.154 291 D HA -0.216 4.424 4.640 -0.000 0.000 0.190 291 D C 1.840 178.126 176.300 -0.023 0.000 1.003 291 D CA 1.908 55.888 54.000 -0.033 0.000 0.849 291 D CB -0.346 40.430 40.800 -0.040 0.000 0.942 291 D HN 0.345 nan 8.370 nan 0.000 0.446 292 I N 0.804 121.350 120.570 -0.041 0.000 2.118 292 I HA -0.354 3.816 4.170 -0.000 0.000 0.241 292 I C 2.487 178.606 176.117 0.003 0.000 1.070 292 I CA 1.355 62.646 61.300 -0.016 0.000 1.327 292 I CB -0.523 37.443 38.000 -0.057 0.000 1.034 292 I HN -0.002 nan 8.210 nan 0.000 0.405 293 A N 0.569 123.384 122.820 -0.009 0.000 1.884 293 A HA -0.276 4.044 4.320 -0.000 0.000 0.219 293 A C 2.393 179.983 177.584 0.009 0.000 1.197 293 A CA 2.897 54.936 52.037 0.004 0.000 0.637 293 A CB -1.313 17.684 19.000 -0.006 0.000 0.827 293 A HN 0.437 nan 8.150 nan 0.000 0.450 294 T N 0.405 114.960 114.554 0.002 0.000 2.652 294 T HA -0.165 4.185 4.350 -0.000 0.000 0.267 294 T C 1.855 176.561 174.700 0.011 0.000 1.039 294 T CA 1.417 63.520 62.100 0.004 0.000 1.153 294 T CB -0.434 68.433 68.868 -0.002 0.000 0.863 294 T HN 0.347 nan 8.240 nan 0.000 0.428 295 L N 1.882 123.113 121.223 0.013 0.000 2.129 295 L HA -0.101 4.239 4.340 -0.000 0.000 0.212 295 L C 2.033 178.918 176.870 0.025 0.000 1.087 295 L CA 2.421 57.273 54.840 0.019 0.000 0.757 295 L CB -1.371 40.704 42.059 0.026 0.000 0.896 295 L HN 0.503 nan 8.230 nan 0.000 0.434 296 T N -3.139 111.433 114.554 0.031 0.000 3.092 296 T HA 0.425 4.775 4.350 -0.000 0.000 0.258 296 T C 0.888 175.612 174.700 0.041 0.000 1.031 296 T CA 0.181 62.304 62.100 0.038 0.000 0.925 296 T CB -0.239 68.660 68.868 0.052 0.000 1.036 296 T HN 0.640 nan 8.240 nan 0.000 0.544 297 G N -0.034 108.786 108.800 0.033 0.000 2.978 297 G HA2 0.386 4.346 3.960 -0.000 0.000 0.686 297 G HA3 0.386 4.346 3.960 -0.000 0.000 0.686 297 G C 0.221 175.148 174.900 0.045 0.000 1.288 297 G CA -0.459 44.662 45.100 0.035 0.000 1.026 297 G HN 1.954 nan 8.290 nan 0.000 0.587 298 G N -0.031 108.789 108.800 0.035 0.000 2.462 298 G HA2 0.587 4.547 3.960 -0.000 0.000 0.685 298 G HA3 0.587 4.547 3.960 -0.000 0.000 0.685 298 G C -0.080 174.831 174.900 0.017 0.000 1.295 298 G CA 0.391 45.511 45.100 0.033 0.000 0.941 298 G HN 2.859 nan 8.290 nan 0.000 0.554 299 T N -2.691 111.868 114.554 0.009 0.000 2.887 299 T HA 0.863 5.213 4.350 -0.000 0.000 0.292 299 T C 0.330 175.028 174.700 -0.004 0.000 1.087 299 T CA -0.191 61.910 62.100 0.001 0.000 1.009 299 T CB 1.490 70.356 68.868 -0.003 0.000 1.203 299 T HN 2.071 nan 8.240 nan 0.000 0.518 300 V N -0.690 119.219 119.914 -0.009 0.000 2.686 300 V HA 0.623 4.743 4.120 -0.000 0.000 0.295 300 V C -0.195 175.892 176.094 -0.012 0.000 1.057 300 V CA -0.915 61.377 62.300 -0.013 0.000 1.012 300 V CB 0.357 32.169 31.823 -0.019 0.000 1.006 300 V HN 0.870 nan 8.190 nan 0.000 0.477 301 I N 4.388 124.951 120.570 -0.012 0.000 2.412 301 I HA 0.335 4.505 4.170 -0.000 0.000 0.279 301 I C 0.289 176.400 176.117 -0.010 0.000 1.063 301 I CA -0.051 61.243 61.300 -0.011 0.000 1.193 301 I CB 1.125 39.118 38.000 -0.011 0.000 1.370 301 I HN 0.857 nan 8.210 nan 0.000 0.479 302 S N 2.601 118.295 115.700 -0.011 0.000 2.437 302 S HA 0.356 4.826 4.470 -0.000 0.000 0.305 302 S C 0.741 175.337 174.600 -0.007 0.000 1.109 302 S CA -0.765 57.429 58.200 -0.010 0.000 1.099 302 S CB 1.788 64.980 63.200 -0.013 0.000 1.004 302 S HN 0.580 nan 8.310 nan 0.000 0.475 303 E N 2.224 122.421 120.200 -0.005 0.000 2.171 303 E HA -0.226 4.124 4.350 -0.000 0.000 0.197 303 E C 1.368 177.966 176.600 -0.004 0.000 0.997 303 E CA 1.592 57.990 56.400 -0.003 0.000 0.810 303 E CB -0.244 29.456 29.700 -0.001 0.000 0.738 303 E HN 0.846 nan 8.360 nan 0.000 0.467 304 E N 0.154 120.351 120.200 -0.005 0.000 2.301 304 E HA -0.195 4.155 4.350 -0.000 0.000 0.202 304 E C 0.753 177.349 176.600 -0.006 0.000 1.017 304 E CA 0.788 57.184 56.400 -0.006 0.000 0.831 304 E CB -0.109 29.586 29.700 -0.008 0.000 0.742 304 E HN 0.402 nan 8.360 nan 0.000 0.491 305 I N -0.565 120.001 120.570 -0.007 0.000 2.979 305 I HA 0.207 4.377 4.170 -0.000 0.000 0.337 305 I C 0.758 176.871 176.117 -0.006 0.000 1.453 305 I CA -0.303 60.993 61.300 -0.006 0.000 0.891 305 I CB 0.898 38.893 38.000 -0.008 0.000 1.887 305 I HN 0.047 nan 8.210 nan 0.000 0.546 306 G N 1.958 110.755 108.800 -0.005 0.000 2.219 306 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.271 306 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.271 306 G C 0.429 175.326 174.900 -0.005 0.000 0.991 306 G CA 0.421 45.518 45.100 -0.005 0.000 0.685 306 G HN 0.461 nan 8.290 nan 0.000 0.531 307 M N 0.435 120.031 119.600 -0.006 0.000 2.217 307 M HA 0.396 4.876 4.480 -0.000 0.000 0.354 307 M C 0.414 176.709 176.300 -0.007 0.000 1.225 307 M CA 0.548 55.843 55.300 -0.008 0.000 1.137 307 M CB 0.735 33.329 32.600 -0.009 0.000 1.576 307 M HN 0.226 nan 8.290 nan 0.000 0.461 308 E N 2.268 122.463 120.200 -0.008 0.000 2.256 308 E HA 0.298 4.648 4.350 -0.000 0.000 0.267 308 E C -0.086 176.508 176.600 -0.010 0.000 0.892 308 E CA -0.640 55.755 56.400 -0.007 0.000 0.775 308 E CB 2.041 31.737 29.700 -0.006 0.000 1.207 308 E HN 0.662 nan 8.360 nan 0.000 0.420 309 L N 1.880 123.098 121.223 -0.009 0.000 2.784 309 L HA -0.124 4.216 4.340 -0.000 0.000 0.247 309 L C 1.021 177.882 176.870 -0.015 0.000 1.162 309 L CA 0.713 55.546 54.840 -0.012 0.000 0.881 309 L CB -0.348 41.707 42.059 -0.007 0.000 1.032 309 L HN 0.488 nan 8.230 nan 0.000 0.446 310 E N -0.105 120.087 120.200 -0.014 0.000 2.256 310 E HA 0.009 4.359 4.350 -0.000 0.000 0.198 310 E C 1.016 177.606 176.600 -0.018 0.000 0.908 310 E CA 0.543 56.934 56.400 -0.015 0.000 0.915 310 E CB 0.216 29.910 29.700 -0.011 0.000 0.890 310 E HN 0.188 nan 8.360 nan 0.000 0.484 311 K N 0.925 121.316 120.400 -0.016 0.000 3.025 311 K HA 0.346 4.666 4.320 -0.000 0.000 0.260 311 K C -0.441 176.147 176.600 -0.020 0.000 1.023 311 K CA -0.012 56.265 56.287 -0.016 0.000 1.194 311 K CB 0.329 32.822 32.500 -0.012 0.000 1.094 311 K HN -0.048 nan 8.250 nan 0.000 0.460 312 A N 1.319 124.123 122.820 -0.026 0.000 2.310 312 A HA 0.291 4.611 4.320 -0.000 0.000 0.304 312 A C 0.547 178.103 177.584 -0.047 0.000 1.231 312 A CA -0.776 51.240 52.037 -0.035 0.000 0.799 312 A CB 0.447 19.425 19.000 -0.036 0.000 1.162 312 A HN 0.309 nan 8.150 nan 0.000 0.486 313 T N 0.429 114.954 114.554 -0.047 0.000 3.332 313 T HA 0.343 4.693 4.350 -0.000 0.000 0.367 313 T C 1.169 175.813 174.700 -0.093 0.000 1.244 313 T CA 0.200 62.265 62.100 -0.058 0.000 0.977 313 T CB -0.079 68.764 68.868 -0.041 0.000 1.784 313 T HN 0.309 nan 8.240 nan 0.000 0.553 314 L N -0.294 120.868 121.223 -0.102 0.000 2.463 314 L HA 0.282 4.622 4.340 -0.000 0.000 0.219 314 L C 2.747 179.543 176.870 -0.124 0.000 1.088 314 L CA 0.605 55.342 54.840 -0.172 0.000 0.849 314 L CB -0.324 41.640 42.059 -0.159 0.000 1.012 314 L HN 0.634 nan 8.230 nan 0.000 0.468 315 E N 0.370 120.539 120.200 -0.052 0.000 2.299 315 E HA -0.156 4.194 4.350 -0.000 0.000 0.193 315 E C 1.498 178.093 176.600 -0.009 0.000 0.998 315 E CA 0.763 57.158 56.400 -0.008 0.000 0.851 315 E CB 0.068 29.770 29.700 0.005 0.000 0.795 315 E HN 0.273 nan 8.360 nan 0.000 0.492 316 D N -0.025 120.357 120.400 -0.030 0.000 2.218 316 D HA -0.107 4.533 4.640 -0.000 0.000 0.204 316 D C 0.424 176.714 176.300 -0.017 0.000 0.976 316 D CA 0.337 54.324 54.000 -0.022 0.000 0.853 316 D CB -0.053 40.729 40.800 -0.030 0.000 0.939 316 D HN 0.193 nan 8.370 nan 0.000 0.481 317 L N 0.658 121.856 121.223 -0.041 0.000 2.452 317 L HA 0.339 4.679 4.340 -0.000 0.000 0.267 317 L C 0.998 177.916 176.870 0.080 0.000 1.188 317 L CA 0.052 54.878 54.840 -0.023 0.000 0.821 317 L CB 1.072 43.031 42.059 -0.168 0.000 1.102 317 L HN -0.103 nan 8.230 nan 0.000 0.470 318 G N 2.154 111.026 108.800 0.119 0.000 2.528 318 G HA2 0.492 4.452 3.960 -0.000 0.000 0.289 318 G HA3 0.492 4.452 3.960 -0.000 0.000 0.289 318 G C -1.258 173.791 174.900 0.248 0.000 1.192 318 G CA -0.262 44.925 45.100 0.145 0.000 0.921 318 G HN 0.713 nan 8.290 nan 0.000 0.512 319 Q N -0.965 118.923 119.800 0.147 0.000 2.378 319 Q HA 0.544 4.884 4.340 -0.000 0.000 0.262 319 Q C -1.305 174.698 176.000 0.005 0.000 0.978 319 Q CA -0.726 55.118 55.803 0.068 0.000 0.918 319 Q CB 1.821 30.590 28.738 0.053 0.000 1.415 319 Q HN 0.973 nan 8.270 nan 0.000 0.409 320 A N 2.668 125.467 122.820 -0.035 0.000 2.532 320 A HA 0.496 4.816 4.320 -0.000 0.000 0.290 320 A C -0.492 177.056 177.584 -0.060 0.000 1.143 320 A CA -0.616 51.404 52.037 -0.029 0.000 0.728 320 A CB 1.792 20.791 19.000 -0.001 0.000 1.317 320 A HN 0.798 nan 8.150 nan 0.000 0.414 321 K N -0.686 119.687 120.400 -0.045 0.000 2.459 321 K HA 0.138 4.458 4.320 -0.000 0.000 0.193 321 K C 0.359 176.931 176.600 -0.047 0.000 1.030 321 K CA 0.762 57.018 56.287 -0.052 0.000 1.026 321 K CB 0.037 32.514 32.500 -0.038 0.000 0.809 321 K HN 0.567 nan 8.250 nan 0.000 0.504 322 R N -0.381 120.096 120.500 -0.037 0.000 3.964 322 R HA 0.069 4.409 4.340 -0.000 0.000 0.244 322 R C -1.897 174.388 176.300 -0.025 0.000 1.004 322 R CA -0.538 55.543 56.100 -0.032 0.000 1.148 322 R CB 0.884 31.168 30.300 -0.028 0.000 1.234 322 R HN -0.026 nan 8.270 nan 0.000 0.567 323 V N 0.276 120.176 119.914 -0.023 0.000 3.074 323 V HA 0.944 5.064 4.120 -0.000 0.000 0.314 323 V C -1.274 174.803 176.094 -0.029 0.000 1.117 323 V CA -0.647 61.636 62.300 -0.027 0.000 1.014 323 V CB 2.398 34.209 31.823 -0.019 0.000 1.057 323 V HN 0.433 nan 8.190 nan 0.000 0.438 324 V N 3.689 123.575 119.914 -0.045 0.000 2.577 324 V HA 0.500 4.620 4.120 -0.000 0.000 0.294 324 V C -0.973 175.094 176.094 -0.045 0.000 1.052 324 V CA -0.077 62.203 62.300 -0.032 0.000 0.891 324 V CB 1.377 33.183 31.823 -0.029 0.000 1.017 324 V HN 0.827 nan 8.190 nan 0.000 0.436 325 I N 5.586 126.156 120.570 -0.000 0.000 2.359 325 I HA 0.519 4.689 4.170 -0.000 0.000 0.294 325 I C 0.449 176.639 176.117 0.122 0.000 0.987 325 I CA 0.182 61.498 61.300 0.026 0.000 1.225 325 I CB 1.418 39.463 38.000 0.075 0.000 1.366 325 I HN 0.556 nan 8.210 nan 0.000 0.466 326 N N 4.501 123.232 118.700 0.051 0.000 2.776 326 N HA 0.283 5.023 4.740 -0.000 0.000 0.319 326 N C 0.846 176.285 175.510 -0.118 0.000 1.316 326 N CA -0.724 52.376 53.050 0.082 0.000 0.890 326 N CB 0.573 39.068 38.487 0.013 0.000 1.165 326 N HN 0.448 nan 8.380 nan 0.000 0.596 327 K N 0.020 120.318 120.400 -0.170 0.000 2.283 327 K HA -0.128 4.192 4.320 -0.000 0.000 0.202 327 K C -0.581 175.732 176.600 -0.478 0.000 1.048 327 K CA 1.695 57.645 56.287 -0.561 0.000 0.948 327 K CB 0.012 32.416 32.500 -0.160 0.000 0.742 327 K HN 0.590 nan 8.250 nan 0.000 0.458 328 D N -1.365 118.883 120.400 -0.254 0.000 2.783 328 D HA 0.093 4.732 4.640 -0.000 0.000 0.306 328 D C -1.052 175.179 176.300 -0.115 0.000 1.633 328 D CA -0.456 53.443 54.000 -0.168 0.000 0.796 328 D CB 0.790 41.529 40.800 -0.102 0.000 1.230 328 D HN -0.156 nan 8.370 nan 0.000 0.441 329 T N 0.017 114.488 114.554 -0.138 0.000 3.237 329 T HA 0.512 4.862 4.350 -0.000 0.000 0.319 329 T C -0.938 173.625 174.700 -0.229 0.000 1.037 329 T CA -0.448 61.560 62.100 -0.152 0.000 1.048 329 T CB 2.008 70.816 68.868 -0.100 0.000 1.081 329 T HN -0.097 nan 8.240 nan 0.000 0.455 330 T N 2.543 116.831 114.554 -0.443 0.000 2.823 330 T HA 0.717 5.067 4.350 -0.000 0.000 0.279 330 T C -0.175 174.122 174.700 -0.672 0.000 0.998 330 T CA -0.618 61.124 62.100 -0.595 0.000 0.994 330 T CB 1.515 69.813 68.868 -0.949 0.000 0.960 330 T HN 0.665 nan 8.240 nan 0.000 0.448 331 T N 3.056 117.388 114.554 -0.369 0.000 3.031 331 T HA 0.572 4.922 4.350 -0.000 0.000 0.305 331 T C -0.719 173.907 174.700 -0.123 0.000 0.985 331 T CA -0.710 61.249 62.100 -0.234 0.000 1.008 331 T CB 0.089 68.869 68.868 -0.146 0.000 1.005 331 T HN 0.485 nan 8.240 nan 0.000 0.444 332 I N 5.882 126.416 120.570 -0.060 0.000 2.325 332 I HA 0.425 4.595 4.170 -0.000 0.000 0.291 332 I C -0.071 176.044 176.117 -0.003 0.000 1.019 332 I CA -0.805 60.494 61.300 -0.002 0.000 1.302 332 I CB 1.134 39.173 38.000 0.066 0.000 1.401 332 I HN 0.574 nan 8.210 nan 0.000 0.485 333 I N 5.931 126.494 120.570 -0.011 0.000 2.362 333 I HA 0.282 4.452 4.170 -0.000 0.000 0.289 333 I C -0.617 175.493 176.117 -0.011 0.000 0.994 333 I CA -0.518 60.775 61.300 -0.013 0.000 1.158 333 I CB 1.226 39.214 38.000 -0.021 0.000 1.315 333 I HN 0.574 nan 8.210 nan 0.000 0.451 334 D N 4.925 125.321 120.400 -0.006 0.000 4.847 334 D HA -0.105 4.535 4.640 -0.000 0.000 0.237 334 D C -0.229 176.068 176.300 -0.004 0.000 1.164 334 D CA 0.832 54.828 54.000 -0.007 0.000 1.196 334 D CB 0.096 40.888 40.800 -0.014 0.000 0.717 334 D HN 0.854 nan 8.370 nan 0.000 0.348 335 G N 1.782 110.584 108.800 0.003 0.000 2.356 335 G HA2 0.480 4.440 3.960 -0.000 0.000 0.322 335 G HA3 0.480 4.440 3.960 -0.000 0.000 0.322 335 G C 1.340 176.244 174.900 0.006 0.000 1.125 335 G CA -0.440 44.665 45.100 0.008 0.000 0.885 335 G HN 0.350 nan 8.290 nan 0.000 0.467 336 V N 2.598 122.515 119.914 0.007 0.000 2.720 336 V HA -0.043 4.077 4.120 -0.000 0.000 0.256 336 V C 2.280 178.382 176.094 0.013 0.000 1.082 336 V CA 1.265 63.569 62.300 0.008 0.000 1.101 336 V CB -1.207 30.625 31.823 0.014 0.000 0.693 336 V HN 0.855 nan 8.190 nan 0.000 0.479 337 G N 1.181 109.991 108.800 0.016 0.000 2.341 337 G HA2 -0.065 3.895 3.960 -0.000 0.000 0.231 337 G HA3 -0.065 3.895 3.960 -0.000 0.000 0.231 337 G C -0.029 174.877 174.900 0.011 0.000 1.206 337 G CA -0.219 44.890 45.100 0.015 0.000 0.865 337 G HN 0.355 nan 8.290 nan 0.000 0.515 338 E N 1.949 122.154 120.200 0.010 0.000 2.328 338 E HA -0.010 4.340 4.350 -0.000 0.000 0.265 338 E C 1.506 178.108 176.600 0.005 0.000 1.057 338 E CA -0.084 56.320 56.400 0.007 0.000 0.916 338 E CB 0.673 30.377 29.700 0.006 0.000 0.993 338 E HN 0.686 nan 8.360 nan 0.000 0.446 339 E N 1.964 122.166 120.200 0.004 0.000 2.501 339 E HA -0.173 4.177 4.350 -0.000 0.000 0.203 339 E C 1.009 177.610 176.600 0.002 0.000 1.072 339 E CA 0.788 57.190 56.400 0.002 0.000 0.885 339 E CB -0.011 29.690 29.700 0.001 0.000 0.813 339 E HN 0.432 nan 8.360 nan 0.000 0.556 340 A N 0.939 123.760 122.820 0.002 0.000 2.055 340 A HA 0.454 4.774 4.320 -0.000 0.000 0.205 340 A C 2.302 179.886 177.584 0.001 0.000 1.235 340 A CA 0.634 52.672 52.037 0.001 0.000 0.822 340 A CB 0.036 19.037 19.000 0.001 0.000 0.903 340 A HN 0.259 nan 8.150 nan 0.000 0.473 341 A N 0.271 123.092 122.820 0.002 0.000 1.897 341 A HA 0.066 4.386 4.320 -0.000 0.000 0.215 341 A C 1.997 179.581 177.584 -0.000 0.000 1.181 341 A CA 1.262 53.299 52.037 0.001 0.000 0.620 341 A CB -0.558 18.444 19.000 0.003 0.000 0.821 341 A HN 0.422 nan 8.150 nan 0.000 0.443 342 I N -0.594 119.977 120.570 0.001 0.000 2.286 342 I HA -0.265 3.905 4.170 -0.000 0.000 0.248 342 I C 2.681 178.797 176.117 -0.001 0.000 1.115 342 I CA 1.676 62.977 61.300 0.001 0.000 1.392 342 I CB -0.189 37.813 38.000 0.003 0.000 1.065 342 I HN 0.355 nan 8.210 nan 0.000 0.418 343 Q N 1.168 120.968 119.800 -0.001 0.000 2.291 343 Q HA -0.111 4.229 4.340 -0.000 0.000 0.206 343 Q C 1.961 177.959 176.000 -0.004 0.000 0.976 343 Q CA 1.749 57.550 55.803 -0.002 0.000 0.875 343 Q CB -0.477 28.260 28.738 -0.002 0.000 0.927 343 Q HN 0.479 nan 8.270 nan 0.000 0.450 344 G N -0.547 108.251 108.800 -0.004 0.000 2.494 344 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.216 344 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.216 344 G C 1.540 176.436 174.900 -0.007 0.000 1.140 344 G CA 0.494 45.592 45.100 -0.005 0.000 0.801 344 G HN 0.300 nan 8.290 nan 0.000 0.536 345 R N 0.537 121.033 120.500 -0.007 0.000 2.073 345 R HA 0.035 4.375 4.340 -0.000 0.000 0.229 345 R C 2.370 178.664 176.300 -0.011 0.000 1.120 345 R CA 1.293 57.387 56.100 -0.010 0.000 0.967 345 R CB -0.818 29.476 30.300 -0.010 0.000 0.862 345 R HN 0.153 nan 8.270 nan 0.000 0.436 346 V N 1.202 121.110 119.914 -0.009 0.000 2.720 346 V HA -0.134 3.986 4.120 -0.000 0.000 0.256 346 V C 2.298 178.386 176.094 -0.011 0.000 1.082 346 V CA 1.522 63.816 62.300 -0.010 0.000 1.101 346 V CB -0.898 30.920 31.823 -0.008 0.000 0.693 346 V HN 0.507 nan 8.190 nan 0.000 0.479 347 A N -0.260 122.554 122.820 -0.009 0.000 1.858 347 A HA -0.277 4.043 4.320 -0.000 0.000 0.216 347 A C 2.218 179.796 177.584 -0.011 0.000 1.190 347 A CA 1.942 53.974 52.037 -0.009 0.000 0.617 347 A CB -0.477 18.519 19.000 -0.008 0.000 0.827 347 A HN 0.574 nan 8.150 nan 0.000 0.443 348 Q N -0.470 119.323 119.800 -0.012 0.000 2.002 348 Q HA -0.168 4.172 4.340 -0.000 0.000 0.204 348 Q C 2.087 178.077 176.000 -0.017 0.000 0.988 348 Q CA 1.765 57.559 55.803 -0.014 0.000 0.843 348 Q CB -0.441 28.287 28.738 -0.016 0.000 0.908 348 Q HN 0.730 nan 8.270 nan 0.000 0.420 349 I N 0.344 120.902 120.570 -0.019 0.000 2.399 349 I HA -0.310 3.860 4.170 -0.000 0.000 0.254 349 I C 2.284 178.388 176.117 -0.022 0.000 1.146 349 I CA 1.253 62.539 61.300 -0.024 0.000 1.412 349 I CB -0.258 37.727 38.000 -0.025 0.000 1.076 349 I HN 0.175 nan 8.210 nan 0.000 0.432 350 R N -0.161 120.329 120.500 -0.017 0.000 2.173 350 R HA 0.002 4.342 4.340 -0.000 0.000 0.208 350 R C 1.913 178.204 176.300 -0.014 0.000 1.035 350 R CA 0.404 56.495 56.100 -0.015 0.000 1.004 350 R CB 0.077 30.369 30.300 -0.012 0.000 0.917 350 R HN 0.288 nan 8.270 nan 0.000 0.462 351 Q N 0.208 120.000 119.800 -0.013 0.000 2.444 351 Q HA -0.013 4.327 4.340 -0.000 0.000 0.206 351 Q C 0.940 176.932 176.000 -0.013 0.000 0.948 351 Q CA 0.784 56.580 55.803 -0.012 0.000 0.946 351 Q CB 0.857 29.589 28.738 -0.010 0.000 1.027 351 Q HN 0.433 nan 8.270 nan 0.000 0.513 352 Q N -0.755 119.035 119.800 -0.017 0.000 2.352 352 Q HA 0.185 4.525 4.340 -0.000 0.000 0.212 352 Q C 1.488 177.476 176.000 -0.020 0.000 0.888 352 Q CA 0.047 55.838 55.803 -0.019 0.000 0.934 352 Q CB 0.706 29.429 28.738 -0.024 0.000 1.093 352 Q HN 0.331 nan 8.270 nan 0.000 0.523 353 I N 0.268 120.827 120.570 -0.019 0.000 3.228 353 I HA -0.057 4.113 4.170 -0.000 0.000 0.279 353 I C 1.279 177.389 176.117 -0.012 0.000 1.221 353 I CA 0.389 61.678 61.300 -0.018 0.000 1.458 353 I CB 0.252 38.241 38.000 -0.019 0.000 1.105 353 I HN -0.009 nan 8.210 nan 0.000 0.445 354 E N 1.652 121.845 120.200 -0.011 0.000 2.512 354 E HA -0.024 4.326 4.350 -0.000 0.000 0.195 354 E C 0.332 176.929 176.600 -0.006 0.000 1.083 354 E CA 0.513 56.908 56.400 -0.007 0.000 0.873 354 E CB 0.021 29.717 29.700 -0.007 0.000 0.897 354 E HN 0.577 nan 8.360 nan 0.000 0.514 355 E N -0.268 119.928 120.200 -0.008 0.000 3.029 355 E HA 0.228 4.578 4.350 -0.000 0.000 0.196 355 E C -0.444 176.153 176.600 -0.005 0.000 0.973 355 E CA -0.198 56.198 56.400 -0.006 0.000 1.242 355 E CB 1.183 30.878 29.700 -0.008 0.000 1.056 355 E HN -0.003 nan 8.360 nan 0.000 0.469 356 A N 1.807 124.624 122.820 -0.005 0.000 2.906 356 A HA 0.088 4.408 4.320 -0.000 0.000 0.289 356 A C 1.247 178.834 177.584 0.005 0.000 1.675 356 A CA -0.222 51.813 52.037 -0.003 0.000 1.372 356 A CB -0.865 18.131 19.000 -0.007 0.000 1.091 356 A HN 0.200 nan 8.150 nan 0.000 0.579 357 T N -1.180 113.379 114.554 0.008 0.000 3.584 357 T HA 0.286 4.636 4.350 -0.000 0.000 0.252 357 T C 0.531 175.244 174.700 0.022 0.000 1.103 357 T CA 0.590 62.697 62.100 0.012 0.000 0.977 357 T CB -0.643 68.231 68.868 0.010 0.000 1.044 357 T HN 0.643 nan 8.240 nan 0.000 0.589 358 S N -1.234 114.482 115.700 0.027 0.000 2.727 358 S HA 0.337 4.807 4.470 -0.000 0.000 0.278 358 S C -0.441 174.187 174.600 0.047 0.000 1.186 358 S CA -0.470 57.758 58.200 0.045 0.000 0.836 358 S CB 1.542 64.785 63.200 0.071 0.000 1.186 358 S HN 0.207 nan 8.310 nan 0.000 0.499 359 D N -0.586 119.858 120.400 0.073 0.000 2.566 359 D HA -0.008 4.632 4.640 -0.000 0.000 0.253 359 D C 1.597 177.956 176.300 0.099 0.000 0.992 359 D CA 0.509 54.551 54.000 0.070 0.000 0.940 359 D CB -0.291 40.550 40.800 0.069 0.000 1.095 359 D HN 0.519 nan 8.370 nan 0.000 0.480 360 Y N 2.404 122.706 120.300 0.003 0.000 2.053 360 Y HA -0.261 4.289 4.550 -0.000 0.000 0.277 360 Y C 1.602 177.502 175.900 -0.000 0.000 1.159 360 Y CA 2.666 60.769 58.100 0.005 0.000 1.125 360 Y CB -0.695 37.770 38.460 0.007 0.000 0.969 360 Y HN -0.043 nan 8.280 nan 0.000 0.492 361 D N -0.557 119.850 120.400 0.011 0.000 2.190 361 D HA -0.212 4.428 4.640 -0.000 0.000 0.200 361 D C 2.268 178.499 176.300 -0.115 0.000 0.992 361 D CA 1.702 55.644 54.000 -0.096 0.000 0.854 361 D CB -0.234 40.569 40.800 0.006 0.000 0.936 361 D HN 0.372 nan 8.370 nan 0.000 0.462 362 R N 0.582 121.044 120.500 -0.064 0.000 2.057 362 R HA -0.083 4.257 4.340 -0.000 0.000 0.229 362 R C 1.928 178.181 176.300 -0.079 0.000 1.136 362 R CA 1.120 57.188 56.100 -0.054 0.000 0.952 362 R CB 0.050 30.338 30.300 -0.021 0.000 0.848 362 R HN 0.162 nan 8.270 nan 0.000 0.430 363 E N 0.385 120.534 120.200 -0.086 0.000 2.049 363 E HA -0.217 4.133 4.350 -0.000 0.000 0.198 363 E C 1.951 178.474 176.600 -0.129 0.000 1.007 363 E CA 1.292 57.640 56.400 -0.087 0.000 0.809 363 E CB 0.028 29.690 29.700 -0.063 0.000 0.749 363 E HN 0.135 nan 8.360 nan 0.000 0.450 364 K N 0.468 120.725 120.400 -0.238 0.000 2.218 364 K HA -0.142 4.178 4.320 -0.000 0.000 0.205 364 K C 2.092 178.602 176.600 -0.149 0.000 1.046 364 K CA 0.866 57.010 56.287 -0.240 0.000 0.933 364 K CB -0.193 32.062 32.500 -0.409 0.000 0.728 364 K HN 0.244 nan 8.250 nan 0.000 0.454 365 L N 0.245 121.393 121.223 -0.126 0.000 2.102 365 L HA -0.076 4.264 4.340 -0.000 0.000 0.202 365 L C 2.105 178.939 176.870 -0.059 0.000 1.076 365 L CA 0.772 55.562 54.840 -0.084 0.000 0.761 365 L CB -0.241 41.775 42.059 -0.071 0.000 0.921 365 L HN 0.148 nan 8.230 nan 0.000 0.444 366 Q N -0.236 119.532 119.800 -0.053 0.000 2.515 366 Q HA -0.171 4.169 4.340 -0.000 0.000 0.212 366 Q C 1.463 177.444 176.000 -0.031 0.000 0.970 366 Q CA 0.457 56.239 55.803 -0.035 0.000 0.941 366 Q CB 0.238 28.959 28.738 -0.028 0.000 0.998 366 Q HN 0.472 nan 8.270 nan 0.000 0.518 367 E N 0.488 120.663 120.200 -0.041 0.000 2.307 367 E HA -0.026 4.324 4.350 -0.000 0.000 0.195 367 E C 1.717 178.303 176.600 -0.023 0.000 0.975 367 E CA -0.033 56.349 56.400 -0.031 0.000 0.878 367 E CB 0.414 30.088 29.700 -0.043 0.000 0.845 367 E HN 0.180 nan 8.360 nan 0.000 0.488 368 R N 0.342 120.822 120.500 -0.032 0.000 2.080 368 R HA -0.057 4.283 4.340 -0.000 0.000 0.222 368 R C 2.563 178.854 176.300 -0.016 0.000 1.107 368 R CA 1.205 57.290 56.100 -0.025 0.000 0.980 368 R CB -0.070 30.206 30.300 -0.038 0.000 0.879 368 R HN 0.169 nan 8.270 nan 0.000 0.439 369 V N -1.362 118.541 119.914 -0.018 0.000 2.343 369 V HA -0.157 3.963 4.120 -0.000 0.000 0.247 369 V C 2.328 178.418 176.094 -0.006 0.000 1.051 369 V CA 1.751 64.044 62.300 -0.012 0.000 1.036 369 V CB -1.195 30.619 31.823 -0.014 0.000 0.654 369 V HN 0.232 nan 8.190 nan 0.000 0.451 370 A N 0.951 123.767 122.820 -0.006 0.000 1.869 370 A HA -0.294 4.026 4.320 -0.000 0.000 0.218 370 A C 2.348 179.936 177.584 0.006 0.000 1.203 370 A CA 2.799 54.835 52.037 -0.001 0.000 0.638 370 A CB -0.772 18.227 19.000 -0.002 0.000 0.831 370 A HN 0.632 nan 8.150 nan 0.000 0.450 371 K N -1.267 119.140 120.400 0.011 0.000 2.002 371 K HA -0.110 4.210 4.320 -0.000 0.000 0.209 371 K C 1.882 178.496 176.600 0.023 0.000 1.048 371 K CA 1.489 57.790 56.287 0.024 0.000 0.930 371 K CB -0.378 32.147 32.500 0.041 0.000 0.714 371 K HN 0.366 nan 8.250 nan 0.000 0.438 372 L N 0.039 121.271 121.223 0.015 0.000 2.376 372 L HA -0.020 4.320 4.340 -0.000 0.000 0.219 372 L C 1.593 178.468 176.870 0.007 0.000 1.133 372 L CA 1.333 56.181 54.840 0.012 0.000 0.816 372 L CB -0.074 41.988 42.059 0.004 0.000 0.933 372 L HN 0.120 nan 8.230 nan 0.000 0.449 373 A N -2.060 120.763 122.820 0.004 0.000 2.287 373 A HA 0.410 4.730 4.320 -0.000 0.000 0.214 373 A C 2.079 179.664 177.584 0.002 0.000 1.228 373 A CA 0.401 52.439 52.037 0.002 0.000 0.939 373 A CB -0.556 18.443 19.000 -0.001 0.000 0.992 373 A HN 0.363 nan 8.150 nan 0.000 0.502 374 G N 0.017 108.819 108.800 0.003 0.000 2.403 374 G HA2 0.375 4.335 3.960 -0.000 0.000 0.216 374 G HA3 0.375 4.335 3.960 -0.000 0.000 0.216 374 G C 1.163 176.064 174.900 0.001 0.000 1.154 374 G CA 0.766 45.867 45.100 0.002 0.000 0.784 374 G HN 1.703 nan 8.290 nan 0.000 0.538 375 G N -1.725 107.078 108.800 0.004 0.000 2.741 375 G HA2 0.044 4.004 3.960 -0.000 0.000 0.222 375 G HA3 0.044 4.004 3.960 -0.000 0.000 0.222 375 G C -0.678 174.222 174.900 -0.001 0.000 1.364 375 G CA -0.323 44.779 45.100 0.003 0.000 0.866 375 G HN 1.059 nan 8.290 nan 0.000 0.555 376 V N 0.176 120.087 119.914 -0.005 0.000 2.638 376 V HA 0.758 4.878 4.120 -0.000 0.000 0.306 376 V C 0.782 176.868 176.094 -0.014 0.000 1.052 376 V CA -0.160 62.133 62.300 -0.011 0.000 0.885 376 V CB 1.357 33.172 31.823 -0.013 0.000 0.999 376 V HN 2.158 nan 8.190 nan 0.000 0.424 377 A N 4.039 126.848 122.820 -0.017 0.000 2.366 377 A HA 0.702 5.022 4.320 -0.000 0.000 0.272 377 A C -0.379 177.193 177.584 -0.021 0.000 1.135 377 A CA -0.259 51.767 52.037 -0.018 0.000 0.804 377 A CB 0.602 19.590 19.000 -0.019 0.000 1.064 377 A HN 0.865 nan 8.150 nan 0.000 0.499 378 V N 5.126 125.030 119.914 -0.018 0.000 2.357 378 V HA 0.246 4.366 4.120 -0.000 0.000 0.281 378 V C -0.167 175.917 176.094 -0.017 0.000 1.015 378 V CA -0.143 62.146 62.300 -0.019 0.000 0.827 378 V CB 0.780 32.593 31.823 -0.017 0.000 1.018 378 V HN 0.751 nan 8.190 nan 0.000 0.432 379 I N 4.511 125.069 120.570 -0.019 0.000 2.441 379 I HA 0.329 4.499 4.170 -0.000 0.000 0.287 379 I C 0.390 176.499 176.117 -0.014 0.000 1.049 379 I CA -0.132 61.159 61.300 -0.016 0.000 1.381 379 I CB 0.826 38.816 38.000 -0.018 0.000 1.409 379 I HN 0.479 nan 8.210 nan 0.000 0.523 380 K N 6.070 126.463 120.400 -0.011 0.000 2.473 380 K HA 0.389 4.709 4.320 -0.000 0.000 0.246 380 K C -0.863 175.732 176.600 -0.008 0.000 1.011 380 K CA -0.624 55.657 56.287 -0.010 0.000 0.984 380 K CB 1.759 34.253 32.500 -0.009 0.000 1.250 380 K HN 0.332 nan 8.250 nan 0.000 0.454 381 V N 2.153 122.062 119.914 -0.007 0.000 2.673 381 V HA 0.116 4.236 4.120 -0.000 0.000 0.303 381 V C 0.914 177.006 176.094 -0.005 0.000 1.046 381 V CA 0.187 62.484 62.300 -0.006 0.000 1.126 381 V CB 0.977 32.797 31.823 -0.004 0.000 0.934 381 V HN 0.886 nan 8.190 nan 0.000 0.487 382 G N 2.572 111.370 108.800 -0.004 0.000 2.481 382 G HA2 0.866 4.826 3.960 -0.000 0.000 0.315 382 G HA3 0.866 4.826 3.960 -0.000 0.000 0.315 382 G C -0.792 174.106 174.900 -0.003 0.000 1.231 382 G CA -0.011 45.087 45.100 -0.004 0.000 0.968 382 G HN 1.198 nan 8.290 nan 0.000 0.482 383 A N -0.532 122.286 122.820 -0.003 0.000 2.557 383 A HA 0.837 5.157 4.320 -0.000 0.000 0.292 383 A C 0.955 178.537 177.584 -0.003 0.000 1.139 383 A CA 0.458 52.493 52.037 -0.003 0.000 0.665 383 A CB 0.522 19.520 19.000 -0.002 0.000 1.285 383 A HN 1.883 nan 8.150 nan 0.000 0.433 384 A N -0.368 122.451 122.820 -0.002 0.000 1.873 384 A HA 0.360 4.680 4.320 -0.000 0.000 0.215 384 A C 1.370 178.953 177.584 -0.002 0.000 1.186 384 A CA 2.537 54.572 52.037 -0.002 0.000 0.616 384 A CB -0.805 18.194 19.000 -0.002 0.000 0.823 384 A HN 2.124 nan 8.150 nan 0.000 0.442 385 T N -4.379 110.174 114.554 -0.002 0.000 2.924 385 T HA 0.466 4.816 4.350 -0.000 0.000 0.291 385 T C 0.529 175.228 174.700 -0.002 0.000 1.045 385 T CA 0.087 62.186 62.100 -0.002 0.000 1.015 385 T CB 1.918 70.785 68.868 -0.002 0.000 1.103 385 T HN 0.319 nan 8.240 nan 0.000 0.496 386 E N 0.305 120.504 120.200 -0.002 0.000 2.130 386 E HA -0.159 4.191 4.350 -0.000 0.000 0.196 386 E C 1.725 178.324 176.600 -0.001 0.000 0.998 386 E CA 1.489 57.888 56.400 -0.002 0.000 0.806 386 E CB -0.182 29.517 29.700 -0.001 0.000 0.738 386 E HN 0.560 nan 8.360 nan 0.000 0.459 387 V N 1.378 121.292 119.914 -0.001 0.000 2.223 387 V HA -0.267 3.853 4.120 -0.000 0.000 0.244 387 V C 2.183 178.276 176.094 -0.001 0.000 1.045 387 V CA 2.277 64.577 62.300 -0.001 0.000 1.000 387 V CB -0.746 31.076 31.823 -0.001 0.000 0.635 387 V HN 0.301 nan 8.190 nan 0.000 0.445 388 E N -0.175 120.024 120.200 -0.001 0.000 2.086 388 E HA -0.322 4.028 4.350 -0.000 0.000 0.200 388 E C 2.189 178.788 176.600 -0.001 0.000 1.012 388 E CA 1.871 58.270 56.400 -0.001 0.000 0.812 388 E CB -0.328 29.371 29.700 -0.002 0.000 0.743 388 E HN 0.448 nan 8.360 nan 0.000 0.453 389 M N 1.119 120.718 119.600 -0.001 0.000 2.086 389 M HA -0.161 4.319 4.480 -0.000 0.000 0.261 389 M C 1.724 178.024 176.300 -0.001 0.000 1.067 389 M CA 1.638 56.937 55.300 -0.001 0.000 1.116 389 M CB -0.237 32.362 32.600 -0.002 0.000 1.348 389 M HN -0.122 nan 8.290 nan 0.000 0.407 390 K N 0.182 120.582 120.400 -0.000 0.000 2.209 390 K HA -0.139 4.181 4.320 -0.000 0.000 0.204 390 K C 1.953 178.554 176.600 0.002 0.000 1.048 390 K CA 0.896 57.183 56.287 0.001 0.000 0.940 390 K CB -0.411 32.089 32.500 0.001 0.000 0.729 390 K HN 0.440 nan 8.250 nan 0.000 0.451 391 E N 1.492 121.693 120.200 0.001 0.000 2.028 391 E HA -0.153 4.197 4.350 -0.000 0.000 0.190 391 E C 1.962 178.563 176.600 0.002 0.000 0.984 391 E CA 1.123 57.524 56.400 0.001 0.000 0.800 391 E CB 0.070 29.770 29.700 -0.000 0.000 0.758 391 E HN 0.188 nan 8.360 nan 0.000 0.448 392 K N 1.111 121.512 120.400 0.001 0.000 2.063 392 K HA -0.193 4.127 4.320 -0.000 0.000 0.208 392 K C 2.257 178.859 176.600 0.002 0.000 1.048 392 K CA 1.853 58.141 56.287 0.001 0.000 0.928 392 K CB -0.178 32.321 32.500 -0.001 0.000 0.713 392 K HN -0.081 nan 8.250 nan 0.000 0.442 393 K N -0.004 120.397 120.400 0.002 0.000 2.281 393 K HA -0.142 4.178 4.320 -0.000 0.000 0.203 393 K C 1.736 178.340 176.600 0.007 0.000 1.046 393 K CA 1.154 57.443 56.287 0.003 0.000 0.938 393 K CB -0.102 32.398 32.500 0.001 0.000 0.737 393 K HN 0.261 nan 8.250 nan 0.000 0.458 394 A N 1.394 124.220 122.820 0.009 0.000 1.854 394 A HA -0.071 4.249 4.320 -0.000 0.000 0.214 394 A C 2.084 179.678 177.584 0.017 0.000 1.192 394 A CA 1.047 53.092 52.037 0.013 0.000 0.611 394 A CB -0.404 18.602 19.000 0.009 0.000 0.832 394 A HN 0.301 nan 8.150 nan 0.000 0.442 395 R N -0.538 119.969 120.500 0.012 0.000 2.091 395 R HA -0.112 4.228 4.340 -0.000 0.000 0.238 395 R C 2.043 178.352 176.300 0.016 0.000 1.136 395 R CA 1.572 57.679 56.100 0.012 0.000 0.959 395 R CB -0.589 29.714 30.300 0.006 0.000 0.856 395 R HN 0.387 nan 8.270 nan 0.000 0.437 396 V N 1.058 120.978 119.914 0.010 0.000 2.343 396 V HA -0.237 3.883 4.120 -0.000 0.000 0.247 396 V C 2.014 178.115 176.094 0.011 0.000 1.051 396 V CA 1.798 64.102 62.300 0.006 0.000 1.036 396 V CB -0.429 31.394 31.823 -0.001 0.000 0.654 396 V HN 0.360 nan 8.190 nan 0.000 0.451 397 E N -0.349 119.864 120.200 0.021 0.000 2.153 397 E HA -0.225 4.125 4.350 -0.000 0.000 0.194 397 E C 1.887 178.547 176.600 0.099 0.000 0.988 397 E CA 1.353 57.776 56.400 0.039 0.000 0.811 397 E CB -0.062 29.668 29.700 0.050 0.000 0.746 397 E HN 0.648 nan 8.360 nan 0.000 0.466 398 D N -0.219 120.233 120.400 0.086 0.000 2.162 398 D HA -0.035 4.604 4.640 -0.000 0.000 0.205 398 D C 1.876 178.235 176.300 0.098 0.000 0.964 398 D CA 0.893 54.958 54.000 0.108 0.000 0.847 398 D CB -0.022 40.810 40.800 0.053 0.000 0.988 398 D HN 0.114 nan 8.370 nan 0.000 0.480 399 A N 1.174 124.025 122.820 0.052 0.000 1.933 399 A HA -0.133 4.187 4.320 -0.000 0.000 0.218 399 A C 2.134 179.736 177.584 0.029 0.000 1.175 399 A CA 0.783 52.841 52.037 0.035 0.000 0.628 399 A CB -0.608 18.401 19.000 0.016 0.000 0.814 399 A HN 0.196 nan 8.150 nan 0.000 0.444 400 L N -1.216 120.012 121.223 0.008 0.000 2.265 400 L HA -0.127 4.213 4.340 -0.000 0.000 0.215 400 L C 2.166 178.993 176.870 -0.072 0.000 1.117 400 L CA 1.708 56.520 54.840 -0.046 0.000 0.782 400 L CB -0.545 41.459 42.059 -0.091 0.000 0.914 400 L HN 0.485 nan 8.230 nan 0.000 0.441 401 H N -1.306 117.763 119.070 -0.003 0.000 2.370 401 H HA 0.186 4.742 4.556 -0.000 0.000 0.304 401 H C 2.105 177.433 175.328 0.001 0.000 1.055 401 H CA 1.120 57.167 56.048 -0.001 0.000 1.373 401 H CB 0.021 29.782 29.762 -0.001 0.000 1.423 401 H HN 0.411 nan 8.280 nan 0.000 0.533 402 A N 0.256 123.161 122.820 0.142 0.000 1.933 402 A HA -0.155 4.165 4.320 -0.000 0.000 0.218 402 A C 2.588 180.203 177.584 0.051 0.000 1.175 402 A CA 2.048 54.131 52.037 0.077 0.000 0.628 402 A CB -0.913 18.117 19.000 0.050 0.000 0.814 402 A HN 0.367 nan 8.150 nan 0.000 0.444 403 T N -0.444 114.132 114.554 0.037 0.000 2.652 403 T HA -0.151 4.199 4.350 -0.000 0.000 0.267 403 T C 2.065 176.775 174.700 0.017 0.000 1.039 403 T CA 1.415 63.526 62.100 0.018 0.000 1.153 403 T CB -0.258 68.612 68.868 0.004 0.000 0.863 403 T HN 0.394 nan 8.240 nan 0.000 0.428 404 R N 0.758 121.267 120.500 0.014 0.000 2.193 404 R HA 0.045 4.385 4.340 -0.000 0.000 0.229 404 R C 2.406 178.724 176.300 0.030 0.000 1.110 404 R CA 1.054 57.161 56.100 0.012 0.000 0.988 404 R CB -0.412 29.885 30.300 -0.004 0.000 0.871 404 R HN 0.383 nan 8.270 nan 0.000 0.458 405 A N 0.030 122.877 122.820 0.045 0.000 2.123 405 A HA 0.148 4.468 4.320 -0.000 0.000 0.214 405 A C 2.043 179.646 177.584 0.031 0.000 1.152 405 A CA 1.076 53.139 52.037 0.044 0.000 0.728 405 A CB 0.039 19.072 19.000 0.055 0.000 0.814 405 A HN 0.306 nan 8.150 nan 0.000 0.464 406 A N -0.896 121.939 122.820 0.025 0.000 1.997 406 A HA 0.247 4.567 4.320 -0.000 0.000 0.212 406 A C 1.958 179.552 177.584 0.015 0.000 1.178 406 A CA 1.051 53.100 52.037 0.019 0.000 0.698 406 A CB -0.433 18.576 19.000 0.016 0.000 0.842 406 A HN 0.244 nan 8.150 nan 0.000 0.458 407 V N 0.461 120.384 119.914 0.014 0.000 2.626 407 V HA -0.221 3.899 4.120 -0.000 0.000 0.252 407 V C 2.311 178.413 176.094 0.012 0.000 1.067 407 V CA 2.224 64.531 62.300 0.011 0.000 1.081 407 V CB -0.574 31.253 31.823 0.007 0.000 0.686 407 V HN 0.614 nan 8.190 nan 0.000 0.468 408 E N -0.223 119.986 120.200 0.016 0.000 2.042 408 E HA -0.081 4.269 4.350 -0.000 0.000 0.189 408 E C 1.514 178.123 176.600 0.016 0.000 0.974 408 E CA 1.015 57.425 56.400 0.017 0.000 0.806 408 E CB 0.072 29.785 29.700 0.021 0.000 0.769 408 E HN 0.624 nan 8.360 nan 0.000 0.451 409 E N -0.276 119.934 120.200 0.017 0.000 2.660 409 E HA 0.241 4.591 4.350 -0.000 0.000 0.216 409 E C 0.100 176.709 176.600 0.014 0.000 0.986 409 E CA 0.041 56.450 56.400 0.015 0.000 1.037 409 E CB 1.569 31.278 29.700 0.015 0.000 1.041 409 E HN 0.251 nan 8.360 nan 0.000 0.480 410 G N 1.172 109.980 108.800 0.014 0.000 2.760 410 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.246 410 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.246 410 G C -0.309 174.599 174.900 0.014 0.000 1.359 410 G CA -0.426 44.682 45.100 0.013 0.000 0.861 410 G HN 0.521 nan 8.290 nan 0.000 0.541 411 V N -2.154 117.768 119.914 0.013 0.000 3.001 411 V HA 0.992 5.112 4.120 -0.000 0.000 0.314 411 V C 0.529 176.631 176.094 0.013 0.000 1.099 411 V CA 0.368 62.675 62.300 0.013 0.000 0.989 411 V CB 1.554 33.384 31.823 0.011 0.000 1.040 411 V HN 2.530 nan 8.190 nan 0.000 0.434 412 V N -0.222 119.700 119.914 0.013 0.000 3.167 412 V HA 1.008 5.128 4.120 -0.000 0.000 0.310 412 V C 0.425 176.526 176.094 0.011 0.000 1.207 412 V CA -0.722 61.586 62.300 0.014 0.000 1.059 412 V CB 1.186 33.019 31.823 0.016 0.000 1.079 412 V HN 2.197 nan 8.190 nan 0.000 0.446 413 A N 0.690 123.518 122.820 0.013 0.000 2.546 413 A HA 0.625 4.945 4.320 -0.000 0.000 0.243 413 A C 0.919 178.503 177.584 -0.001 0.000 1.063 413 A CA 0.688 52.728 52.037 0.005 0.000 0.757 413 A CB -0.563 18.444 19.000 0.011 0.000 0.991 413 A HN 1.991 nan 8.150 nan 0.000 0.503 414 G N 1.009 109.802 108.800 -0.012 0.000 2.546 414 G HA2 0.483 4.443 3.960 -0.000 0.000 0.239 414 G HA3 0.483 4.443 3.960 -0.000 0.000 0.239 414 G C 1.210 176.098 174.900 -0.020 0.000 1.476 414 G CA 0.021 45.112 45.100 -0.015 0.000 1.064 414 G HN 2.220 nan 8.290 nan 0.000 0.561 415 G N -1.680 107.104 108.800 -0.026 0.000 2.309 415 G HA2 0.181 4.141 3.960 -0.000 0.000 0.286 415 G HA3 0.181 4.141 3.960 -0.000 0.000 0.286 415 G C 1.547 176.445 174.900 -0.004 0.000 1.002 415 G CA 1.421 46.506 45.100 -0.025 0.000 0.786 415 G HN 2.423 nan 8.290 nan 0.000 0.511 416 G N -2.560 106.240 108.800 0.001 0.000 2.189 416 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.267 416 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.267 416 G C 1.851 176.760 174.900 0.014 0.000 0.975 416 G CA 1.952 47.057 45.100 0.009 0.000 0.644 416 G HN 2.177 nan 8.290 nan 0.000 0.537 417 V N -1.934 117.987 119.914 0.012 0.000 2.453 417 V HA 0.338 4.458 4.120 -0.000 0.000 0.247 417 V C 2.911 179.021 176.094 0.026 0.000 1.048 417 V CA 1.971 64.283 62.300 0.021 0.000 1.049 417 V CB -1.094 30.738 31.823 0.014 0.000 0.672 417 V HN 1.482 nan 8.190 nan 0.000 0.457 418 A N 0.986 123.818 122.820 0.021 0.000 1.927 418 A HA -0.183 4.137 4.320 -0.000 0.000 0.220 418 A C 2.256 179.854 177.584 0.023 0.000 1.185 418 A CA 2.645 54.696 52.037 0.023 0.000 0.639 418 A CB -0.784 18.227 19.000 0.017 0.000 0.820 418 A HN 0.634 nan 8.150 nan 0.000 0.451 419 L N -1.328 119.908 121.223 0.021 0.000 2.044 419 L HA -0.040 4.300 4.340 -0.000 0.000 0.205 419 L C 2.491 179.374 176.870 0.023 0.000 1.075 419 L CA 1.238 56.090 54.840 0.019 0.000 0.747 419 L CB -0.358 41.711 42.059 0.017 0.000 0.903 419 L HN 0.445 nan 8.230 nan 0.000 0.435 420 I N -0.170 120.415 120.570 0.026 0.000 2.454 420 I HA -0.317 3.853 4.170 -0.000 0.000 0.254 420 I C 2.768 178.907 176.117 0.037 0.000 1.156 420 I CA 0.966 62.284 61.300 0.030 0.000 1.433 420 I CB 0.032 38.051 38.000 0.032 0.000 1.082 420 I HN 0.220 nan 8.210 nan 0.000 0.432 421 R N 0.322 120.848 120.500 0.042 0.000 2.055 421 R HA -0.101 4.239 4.340 -0.000 0.000 0.228 421 R C 2.057 178.379 176.300 0.036 0.000 1.143 421 R CA 2.057 58.186 56.100 0.048 0.000 0.945 421 R CB -1.083 29.250 30.300 0.055 0.000 0.841 421 R HN 0.189 nan 8.270 nan 0.000 0.429 422 V N 1.228 121.160 119.914 0.029 0.000 2.453 422 V HA -0.285 3.835 4.120 -0.000 0.000 0.252 422 V C 2.296 178.402 176.094 0.019 0.000 1.068 422 V CA 2.078 64.391 62.300 0.022 0.000 1.070 422 V CB -0.879 30.954 31.823 0.017 0.000 0.664 422 V HN 0.601 nan 8.190 nan 0.000 0.461 423 A N 0.242 123.074 122.820 0.020 0.000 1.872 423 A HA -0.166 4.154 4.320 -0.000 0.000 0.214 423 A C 2.517 180.112 177.584 0.018 0.000 1.187 423 A CA 1.925 53.972 52.037 0.017 0.000 0.614 423 A CB -0.764 18.246 19.000 0.017 0.000 0.826 423 A HN 0.697 nan 8.150 nan 0.000 0.442 424 S N -0.165 115.549 115.700 0.023 0.000 2.442 424 S HA -0.123 4.347 4.470 -0.000 0.000 0.236 424 S C 1.626 176.238 174.600 0.019 0.000 1.007 424 S CA 1.498 59.712 58.200 0.023 0.000 0.965 424 S CB -0.334 62.885 63.200 0.031 0.000 0.773 424 S HN 0.569 nan 8.310 nan 0.000 0.504 425 K N 0.401 120.813 120.400 0.019 0.000 2.432 425 K HA 0.274 4.594 4.320 -0.000 0.000 0.196 425 K C 0.741 177.348 176.600 0.012 0.000 1.038 425 K CA 0.440 56.736 56.287 0.016 0.000 0.986 425 K CB -0.101 32.409 32.500 0.017 0.000 0.782 425 K HN 0.426 nan 8.250 nan 0.000 0.485 426 L N -0.303 120.927 121.223 0.011 0.000 2.965 426 L HA 0.240 4.580 4.340 -0.000 0.000 0.254 426 L C 1.516 178.390 176.870 0.007 0.000 1.220 426 L CA -0.275 54.570 54.840 0.008 0.000 1.023 426 L CB 0.491 42.555 42.059 0.007 0.000 1.355 426 L HN 0.020 nan 8.230 nan 0.000 0.545 427 A N -0.077 122.748 122.820 0.008 0.000 2.019 427 A HA -0.200 4.120 4.320 -0.000 0.000 0.219 427 A C 1.672 179.259 177.584 0.005 0.000 1.164 427 A CA 1.819 53.860 52.037 0.007 0.000 0.644 427 A CB -0.204 18.800 19.000 0.007 0.000 0.805 427 A HN 0.341 nan 8.150 nan 0.000 0.449 428 D N -1.069 119.333 120.400 0.005 0.000 2.249 428 D HA 0.058 4.698 4.640 -0.000 0.000 0.205 428 D C 0.656 176.958 176.300 0.003 0.000 0.962 428 D CA -0.022 53.980 54.000 0.003 0.000 0.860 428 D CB -0.264 40.538 40.800 0.003 0.000 0.955 428 D HN 0.336 nan 8.370 nan 0.000 0.505 429 L N 1.643 122.868 121.223 0.003 0.000 2.559 429 L HA 0.045 4.385 4.340 -0.000 0.000 0.282 429 L C 0.196 177.067 176.870 0.002 0.000 1.232 429 L CA 0.755 55.597 54.840 0.003 0.000 0.885 429 L CB 0.011 42.072 42.059 0.003 0.000 1.131 429 L HN -0.113 nan 8.230 nan 0.000 0.498 430 R N 2.960 123.461 120.500 0.002 0.000 2.831 430 R HA 0.779 5.119 4.340 -0.000 0.000 0.266 430 R C -0.350 175.951 176.300 0.001 0.000 1.051 430 R CA -0.345 55.756 56.100 0.001 0.000 0.943 430 R CB 1.414 31.715 30.300 0.001 0.000 1.228 430 R HN 0.813 nan 8.270 nan 0.000 0.467 431 G N -0.603 108.197 108.800 0.001 0.000 3.211 431 G HA2 0.239 4.199 3.960 -0.000 0.000 0.262 431 G HA3 0.239 4.199 3.960 -0.000 0.000 0.262 431 G C -0.009 174.891 174.900 0.001 0.000 1.352 431 G CA -0.344 44.757 45.100 0.001 0.000 1.004 431 G HN 0.390 nan 8.290 nan 0.000 0.559 432 Q N -0.698 119.103 119.800 0.001 0.000 2.291 432 Q HA -0.027 4.313 4.340 -0.000 0.000 0.206 432 Q C 0.306 176.306 176.000 0.001 0.000 0.976 432 Q CA 1.476 57.279 55.803 0.001 0.000 0.875 432 Q CB -0.078 28.660 28.738 0.001 0.000 0.927 432 Q HN 0.607 nan 8.270 nan 0.000 0.450 433 N N -2.754 115.947 118.700 0.001 0.000 3.020 433 N HA 0.038 4.778 4.740 -0.000 0.000 0.248 433 N C -0.226 175.285 175.510 0.001 0.000 1.480 433 N CA -0.520 52.531 53.050 0.001 0.000 0.874 433 N CB 0.559 39.046 38.487 0.001 0.000 1.433 433 N HN -0.303 nan 8.380 nan 0.000 0.530 434 E N -0.176 120.024 120.200 0.001 0.000 2.085 434 E HA -0.180 4.170 4.350 -0.000 0.000 0.194 434 E C 0.484 177.085 176.600 0.002 0.000 0.994 434 E CA 1.813 58.214 56.400 0.001 0.000 0.801 434 E CB -0.284 29.416 29.700 0.001 0.000 0.743 434 E HN 0.595 nan 8.360 nan 0.000 0.453 435 D N 0.113 120.514 120.400 0.002 0.000 2.087 435 D HA -0.195 4.445 4.640 -0.000 0.000 0.192 435 D C 1.974 178.275 176.300 0.002 0.000 0.993 435 D CA 1.258 55.259 54.000 0.002 0.000 0.828 435 D CB -0.432 40.369 40.800 0.002 0.000 0.968 435 D HN 0.341 nan 8.370 nan 0.000 0.448 436 Q N 0.148 119.949 119.800 0.002 0.000 2.197 436 Q HA -0.160 4.180 4.340 -0.000 0.000 0.207 436 Q C 1.883 177.884 176.000 0.002 0.000 0.984 436 Q CA 0.913 56.718 55.803 0.002 0.000 0.869 436 Q CB -0.016 28.723 28.738 0.002 0.000 0.906 436 Q HN 0.262 nan 8.270 nan 0.000 0.426 437 N N -0.300 118.401 118.700 0.002 0.000 2.120 437 N HA -0.126 4.614 4.740 -0.000 0.000 0.188 437 N C 1.835 177.347 175.510 0.003 0.000 1.024 437 N CA 1.065 54.116 53.050 0.002 0.000 0.852 437 N CB -0.310 38.178 38.487 0.002 0.000 1.003 437 N HN 0.066 nan 8.380 nan 0.000 0.424 438 V N 1.148 121.064 119.914 0.003 0.000 2.295 438 V HA -0.180 3.940 4.120 -0.000 0.000 0.246 438 V C 2.510 178.606 176.094 0.004 0.000 1.049 438 V CA 2.051 64.353 62.300 0.003 0.000 1.024 438 V CB -1.341 30.484 31.823 0.003 0.000 0.648 438 V HN 0.336 nan 8.190 nan 0.000 0.447 439 G N -0.000 108.802 108.800 0.003 0.000 2.513 439 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.219 439 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.219 439 G C 1.516 176.418 174.900 0.004 0.000 1.160 439 G CA 1.505 46.608 45.100 0.004 0.000 0.767 439 G HN 0.434 nan 8.290 nan 0.000 0.571 440 I N 0.776 121.348 120.570 0.003 0.000 2.113 440 I HA -0.105 4.065 4.170 -0.000 0.000 0.238 440 I C 2.672 178.791 176.117 0.004 0.000 1.070 440 I CA 1.325 62.627 61.300 0.003 0.000 1.332 440 I CB -0.162 37.840 38.000 0.003 0.000 1.044 440 I HN -0.041 nan 8.210 nan 0.000 0.402 441 K N 0.147 120.549 120.400 0.004 0.000 2.160 441 K HA -0.128 4.192 4.320 -0.000 0.000 0.206 441 K C 2.185 178.788 176.600 0.005 0.000 1.047 441 K CA 1.122 57.412 56.287 0.005 0.000 0.930 441 K CB -0.810 31.693 32.500 0.004 0.000 0.720 441 K HN 0.240 nan 8.250 nan 0.000 0.450 442 V N 1.272 121.189 119.914 0.005 0.000 2.270 442 V HA -0.224 3.896 4.120 -0.000 0.000 0.245 442 V C 2.455 178.553 176.094 0.007 0.000 1.043 442 V CA 1.917 64.220 62.300 0.006 0.000 1.014 442 V CB -0.674 31.153 31.823 0.006 0.000 0.645 442 V HN 0.309 nan 8.190 nan 0.000 0.447 443 A N -0.311 122.512 122.820 0.006 0.000 1.902 443 A HA -0.168 4.152 4.320 -0.000 0.000 0.217 443 A C 2.189 179.778 177.584 0.007 0.000 1.181 443 A CA 1.841 53.883 52.037 0.007 0.000 0.623 443 A CB -0.545 18.458 19.000 0.005 0.000 0.818 443 A HN 0.507 nan 8.150 nan 0.000 0.443 444 L N -1.357 119.871 121.223 0.007 0.000 2.017 444 L HA -0.186 4.154 4.340 -0.000 0.000 0.208 444 L C 2.815 179.691 176.870 0.009 0.000 1.073 444 L CA 1.826 56.671 54.840 0.008 0.000 0.745 444 L CB -0.602 41.461 42.059 0.008 0.000 0.894 444 L HN 0.435 nan 8.230 nan 0.000 0.432 445 R N 0.298 120.803 120.500 0.008 0.000 2.103 445 R HA -0.208 4.132 4.340 -0.000 0.000 0.242 445 R C 2.349 178.654 176.300 0.009 0.000 1.142 445 R CA 1.614 57.719 56.100 0.008 0.000 0.960 445 R CB -0.259 30.045 30.300 0.007 0.000 0.858 445 R HN 0.377 nan 8.270 nan 0.000 0.439 446 A N 0.614 123.440 122.820 0.009 0.000 1.933 446 A HA -0.165 4.155 4.320 -0.000 0.000 0.218 446 A C 2.081 179.671 177.584 0.011 0.000 1.175 446 A CA 1.501 53.544 52.037 0.010 0.000 0.628 446 A CB -0.419 18.587 19.000 0.011 0.000 0.814 446 A HN 0.356 nan 8.150 nan 0.000 0.444 447 M N -0.499 119.108 119.600 0.012 0.000 2.706 447 M HA -0.130 4.350 4.480 -0.000 0.000 0.251 447 M C 1.312 177.620 176.300 0.014 0.000 1.070 447 M CA 1.009 56.317 55.300 0.013 0.000 1.073 447 M CB -0.255 32.353 32.600 0.013 0.000 1.449 447 M HN 0.489 nan 8.290 nan 0.000 0.531 448 E N -0.140 120.068 120.200 0.012 0.000 2.400 448 E HA 0.062 4.412 4.350 -0.000 0.000 0.195 448 E C 2.077 178.683 176.600 0.010 0.000 1.012 448 E CA 0.369 56.776 56.400 0.012 0.000 0.875 448 E CB 0.123 29.830 29.700 0.011 0.000 0.859 448 E HN 0.485 nan 8.360 nan 0.000 0.498 449 A N 2.564 125.390 122.820 0.010 0.000 1.881 449 A HA -0.201 4.119 4.320 -0.000 0.000 0.219 449 A C -0.332 177.257 177.584 0.009 0.000 1.215 449 A CA 1.734 53.776 52.037 0.009 0.000 0.648 449 A CB -1.714 17.292 19.000 0.010 0.000 0.832 449 A HN 0.129 nan 8.150 nan 0.000 0.455 450 P HA -0.202 nan 4.420 nan 0.000 0.215 450 P C 1.829 179.136 177.300 0.012 0.000 1.163 450 P CA 1.313 64.419 63.100 0.011 0.000 0.894 450 P CB -0.141 31.566 31.700 0.012 0.000 0.791 451 L N -0.991 120.240 121.223 0.014 0.000 2.005 451 L HA -0.165 4.175 4.340 -0.000 0.000 0.207 451 L C 2.504 179.383 176.870 0.014 0.000 1.072 451 L CA 1.684 56.535 54.840 0.018 0.000 0.744 451 L CB -0.336 41.734 42.059 0.017 0.000 0.895 451 L HN -0.185 nan 8.230 nan 0.000 0.433 452 R N -0.708 119.796 120.500 0.007 0.000 2.170 452 R HA -0.262 4.078 4.340 -0.000 0.000 0.242 452 R C 2.201 178.505 176.300 0.006 0.000 1.145 452 R CA 1.774 57.875 56.100 0.001 0.000 0.984 452 R CB -0.209 30.091 30.300 0.000 0.000 0.869 452 R HN 0.424 nan 8.270 nan 0.000 0.455 453 Q N 0.782 120.588 119.800 0.009 0.000 2.062 453 Q HA -0.012 4.328 4.340 -0.000 0.000 0.196 453 Q C 1.809 177.817 176.000 0.013 0.000 0.967 453 Q CA 1.300 57.109 55.803 0.009 0.000 0.832 453 Q CB 0.008 28.750 28.738 0.007 0.000 0.899 453 Q HN 0.302 nan 8.270 nan 0.000 0.442 454 I N -0.444 120.136 120.570 0.017 0.000 2.163 454 I HA -0.303 3.867 4.170 -0.000 0.000 0.243 454 I C 2.113 178.253 176.117 0.039 0.000 1.085 454 I CA 1.063 62.376 61.300 0.022 0.000 1.347 454 I CB -0.498 37.517 38.000 0.023 0.000 1.044 454 I HN 0.084 nan 8.210 nan 0.000 0.408 455 V N 0.744 120.690 119.914 0.053 0.000 2.233 455 V HA -0.311 3.809 4.120 -0.000 0.000 0.247 455 V C 2.458 178.574 176.094 0.037 0.000 1.050 455 V CA 2.034 64.373 62.300 0.065 0.000 1.010 455 V CB -0.558 31.273 31.823 0.012 0.000 0.637 455 V HN 0.349 nan 8.190 nan 0.000 0.444 456 L N 0.877 122.111 121.223 0.019 0.000 2.043 456 L HA -0.214 4.126 4.340 -0.000 0.000 0.212 456 L C 2.183 179.062 176.870 0.014 0.000 1.075 456 L CA 2.046 56.893 54.840 0.013 0.000 0.752 456 L CB -1.172 40.892 42.059 0.007 0.000 0.891 456 L HN 0.370 nan 8.230 nan 0.000 0.432 457 N N -1.071 117.638 118.700 0.014 0.000 2.348 457 N HA -0.153 4.587 4.740 -0.000 0.000 0.185 457 N C 1.394 176.912 175.510 0.013 0.000 1.019 457 N CA 1.539 54.595 53.050 0.010 0.000 0.880 457 N CB -0.530 37.961 38.487 0.007 0.000 0.965 457 N HN 0.431 nan 8.380 nan 0.000 0.437 458 C N 0.268 119.582 119.300 0.023 0.000 2.559 458 C HA 0.333 4.793 4.460 -0.000 0.000 0.300 458 C C 1.475 176.483 174.990 0.030 0.000 1.288 458 C CA -0.437 58.597 59.018 0.028 0.000 1.699 458 C CB -1.188 26.580 27.740 0.047 0.000 1.819 458 C HN 0.533 nan 8.230 nan 0.000 0.600 459 G N 1.855 110.668 108.800 0.022 0.000 2.305 459 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.287 459 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.287 459 G C 0.023 174.938 174.900 0.024 0.000 1.036 459 G CA 0.391 45.503 45.100 0.020 0.000 0.887 459 G HN 0.539 nan 8.290 nan 0.000 0.505 460 E N -0.841 119.375 120.200 0.027 0.000 2.803 460 E HA 0.596 4.946 4.350 -0.000 0.000 0.250 460 E C 0.288 176.891 176.600 0.004 0.000 1.102 460 E CA -0.938 55.476 56.400 0.022 0.000 1.017 460 E CB 0.549 30.265 29.700 0.025 0.000 1.346 460 E HN 0.090 nan 8.360 nan 0.000 0.532 461 K N 1.463 121.856 120.400 -0.012 0.000 2.354 461 K HA 0.296 4.616 4.320 -0.000 0.000 0.257 461 K C -2.226 174.352 176.600 -0.037 0.000 1.062 461 K CA -2.250 54.027 56.287 -0.017 0.000 0.971 461 K CB 0.843 33.336 32.500 -0.011 0.000 1.305 461 K HN 0.004 nan 8.250 nan 0.000 0.449 462 P HA -0.213 nan 4.420 nan 0.000 0.215 462 P C 0.791 178.068 177.300 -0.037 0.000 1.163 462 P CA 1.239 64.319 63.100 -0.034 0.000 0.894 462 P CB 0.316 32.007 31.700 -0.016 0.000 0.791 463 S N -0.987 114.700 115.700 -0.022 0.000 2.353 463 S HA -0.145 4.325 4.470 -0.000 0.000 0.222 463 S C 1.943 176.533 174.600 -0.017 0.000 1.035 463 S CA 1.508 59.699 58.200 -0.015 0.000 1.025 463 S CB -1.231 61.964 63.200 -0.008 0.000 0.902 463 S HN -0.114 nan 8.310 nan 0.000 0.440 464 V N 1.550 121.452 119.914 -0.020 0.000 2.219 464 V HA -0.215 3.905 4.120 -0.000 0.000 0.248 464 V C 2.330 178.416 176.094 -0.014 0.000 1.053 464 V CA 2.054 64.346 62.300 -0.014 0.000 1.009 464 V CB -1.053 30.762 31.823 -0.013 0.000 0.636 464 V HN 0.378 nan 8.190 nan 0.000 0.445 465 V N 0.277 120.147 119.914 -0.073 0.000 2.453 465 V HA -0.297 3.823 4.120 -0.000 0.000 0.252 465 V C 2.615 178.660 176.094 -0.081 0.000 1.068 465 V CA 2.117 64.319 62.300 -0.163 0.000 1.070 465 V CB -1.304 30.235 31.823 -0.472 0.000 0.664 465 V HN 0.588 nan 8.190 nan 0.000 0.461 466 A N 0.358 123.150 122.820 -0.046 0.000 1.872 466 A HA -0.198 4.122 4.320 -0.000 0.000 0.214 466 A C 2.060 179.663 177.584 0.033 0.000 1.187 466 A CA 1.916 53.949 52.037 -0.006 0.000 0.614 466 A CB -0.740 18.256 19.000 -0.006 0.000 0.826 466 A HN 0.650 nan 8.150 nan 0.000 0.442 467 N N -0.436 118.281 118.700 0.028 0.000 2.120 467 N HA -0.124 4.616 4.740 -0.000 0.000 0.188 467 N C 1.650 177.201 175.510 0.067 0.000 1.024 467 N CA 1.818 54.890 53.050 0.037 0.000 0.852 467 N CB -0.295 38.203 38.487 0.019 0.000 1.003 467 N HN 0.476 nan 8.380 nan 0.000 0.424 468 T N 0.427 115.036 114.554 0.092 0.000 2.684 468 T HA -0.102 4.248 4.350 -0.000 0.000 0.267 468 T C 2.122 176.986 174.700 0.273 0.000 1.036 468 T CA 0.987 63.178 62.100 0.151 0.000 1.148 468 T CB -0.444 68.541 68.868 0.194 0.000 0.863 468 T HN 0.012 nan 8.240 nan 0.000 0.436 469 V N 1.432 121.502 119.914 0.260 0.000 2.515 469 V HA -0.117 4.003 4.120 -0.000 0.000 0.250 469 V C 2.395 178.621 176.094 0.219 0.000 1.058 469 V CA 1.416 63.876 62.300 0.265 0.000 1.064 469 V CB -0.502 31.397 31.823 0.127 0.000 0.675 469 V HN 0.459 nan 8.190 nan 0.000 0.461 470 K N 0.131 120.612 120.400 0.135 0.000 2.365 470 K HA -0.020 4.300 4.320 -0.000 0.000 0.199 470 K C 2.146 178.796 176.600 0.084 0.000 1.045 470 K CA 0.957 57.300 56.287 0.094 0.000 0.962 470 K CB -0.281 32.254 32.500 0.058 0.000 0.759 470 K HN 0.571 nan 8.250 nan 0.000 0.469 471 G N 1.347 110.205 108.800 0.096 0.000 2.404 471 G HA2 -0.105 3.855 3.960 -0.000 0.000 0.214 471 G HA3 -0.105 3.855 3.960 -0.000 0.000 0.214 471 G C 0.899 175.805 174.900 0.010 0.000 1.189 471 G CA 0.623 45.749 45.100 0.043 0.000 0.789 471 G HN 0.377 nan 8.290 nan 0.000 0.533 472 G N -0.680 108.137 108.800 0.030 0.000 2.527 472 G HA2 0.391 4.351 3.960 -0.000 0.000 0.279 472 G HA3 0.391 4.351 3.960 -0.000 0.000 0.279 472 G C -0.912 173.999 174.900 0.019 0.000 1.374 472 G CA 0.298 45.325 45.100 -0.120 0.000 1.053 472 G HN 0.344 nan 8.290 nan 0.000 0.539 473 D N -3.623 116.788 120.400 0.018 0.000 2.583 473 D HA 0.534 5.174 4.640 -0.000 0.000 0.248 473 D C 0.621 176.976 176.300 0.092 0.000 1.209 473 D CA 1.103 55.135 54.000 0.052 0.000 0.848 473 D CB 1.492 42.297 40.800 0.009 0.000 1.431 473 D HN 1.192 nan 8.370 nan 0.000 0.436 474 G N 1.722 110.569 108.800 0.078 0.000 2.514 474 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.265 474 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.265 474 G C 0.097 175.058 174.900 0.101 0.000 1.150 474 G CA 0.287 45.434 45.100 0.079 0.000 0.959 474 G HN 0.584 nan 8.290 nan 0.000 0.556 475 N N 0.169 118.933 118.700 0.106 0.000 2.376 475 N HA 0.352 5.092 4.740 -0.000 0.000 0.249 475 N C -0.252 175.333 175.510 0.126 0.000 1.140 475 N CA -0.074 53.032 53.050 0.092 0.000 0.870 475 N CB 0.353 38.875 38.487 0.058 0.000 1.124 475 N HN 0.534 nan 8.380 nan 0.000 0.505 476 Y N 1.119 121.450 120.300 0.053 0.000 2.587 476 Y HA 0.442 4.992 4.550 -0.000 0.000 0.344 476 Y C 0.860 176.818 175.900 0.096 0.000 1.061 476 Y CA -0.366 57.781 58.100 0.078 0.000 1.370 476 Y CB -0.221 38.287 38.460 0.081 0.000 1.163 476 Y HN 0.125 nan 8.280 nan 0.000 0.527 477 G N 4.119 112.754 108.800 -0.276 0.000 3.257 477 G HA2 0.291 4.251 3.960 -0.000 0.000 0.205 477 G HA3 0.291 4.251 3.960 -0.000 0.000 0.205 477 G C -2.155 172.574 174.900 -0.285 0.000 1.234 477 G CA -0.697 44.279 45.100 -0.206 0.000 0.918 477 G HN 0.486 nan 8.290 nan 0.000 0.602 478 Y N 1.113 121.197 120.300 -0.361 0.000 2.400 478 Y HA 0.420 4.970 4.550 -0.000 0.000 0.335 478 Y C -0.430 175.277 175.900 -0.322 0.000 1.066 478 Y CA -1.448 56.346 58.100 -0.510 0.000 1.285 478 Y CB 0.898 38.976 38.460 -0.637 0.000 1.103 478 Y HN 0.414 nan 8.280 nan 0.000 0.490 479 N N 4.401 122.748 118.700 -0.589 0.000 2.400 479 N HA 0.067 4.807 4.740 -0.000 0.000 0.278 479 N C 0.836 175.847 175.510 -0.832 0.000 1.247 479 N CA 0.928 53.678 53.050 -0.501 0.000 0.970 479 N CB 1.181 39.478 38.487 -0.316 0.000 1.312 479 N HN 0.842 nan 8.380 nan 0.000 0.488 480 A N 3.551 125.932 122.820 -0.732 0.000 2.172 480 A HA 0.012 4.332 4.320 -0.000 0.000 0.216 480 A C 1.970 179.342 177.584 -0.354 0.000 1.154 480 A CA 1.302 52.941 52.037 -0.664 0.000 0.701 480 A CB -0.287 18.581 19.000 -0.219 0.000 0.789 480 A HN 0.713 nan 8.150 nan 0.000 0.465 481 A N -0.499 122.151 122.820 -0.283 0.000 2.016 481 A HA 0.079 4.399 4.320 -0.000 0.000 0.217 481 A C 1.925 179.416 177.584 -0.155 0.000 1.162 481 A CA 1.869 53.804 52.037 -0.169 0.000 0.662 481 A CB -0.451 18.471 19.000 -0.129 0.000 0.812 481 A HN 0.806 nan 8.150 nan 0.000 0.450 482 T N -4.031 110.397 114.554 -0.211 0.000 3.231 482 T HA 0.378 4.728 4.350 -0.000 0.000 0.292 482 T C 0.016 174.627 174.700 -0.148 0.000 1.001 482 T CA 0.524 62.538 62.100 -0.143 0.000 0.920 482 T CB -0.187 68.616 68.868 -0.109 0.000 1.140 482 T HN 0.388 nan 8.240 nan 0.000 0.525 483 E N 0.964 121.016 120.200 -0.247 0.000 2.670 483 E HA -0.225 4.125 4.350 -0.000 0.000 0.257 483 E C -0.336 176.282 176.600 0.031 0.000 1.186 483 E CA 1.234 57.568 56.400 -0.109 0.000 0.734 483 E CB -1.573 28.179 29.700 0.086 0.000 1.325 483 E HN 0.804 nan 8.360 nan 0.000 0.426 484 E N -0.014 120.115 120.200 -0.119 0.000 2.176 484 E HA 0.300 4.650 4.350 -0.000 0.000 0.267 484 E C -0.426 176.195 176.600 0.035 0.000 0.893 484 E CA -0.814 55.633 56.400 0.078 0.000 0.761 484 E CB 0.863 30.591 29.700 0.047 0.000 1.133 484 E HN 0.033 nan 8.360 nan 0.000 0.409 485 Y N 1.201 121.535 120.300 0.057 0.000 2.258 485 Y HA 0.488 5.038 4.550 -0.000 0.000 0.345 485 Y C 1.385 177.223 175.900 -0.103 0.000 1.303 485 Y CA 0.542 58.602 58.100 -0.067 0.000 1.537 485 Y CB 0.652 39.074 38.460 -0.064 0.000 1.383 485 Y HN 0.745 nan 8.280 nan 0.000 0.606 486 G N -0.043 108.688 108.800 -0.116 0.000 2.332 486 G HA2 -0.069 3.891 3.960 -0.000 0.000 0.265 486 G HA3 -0.069 3.891 3.960 -0.000 0.000 0.265 486 G C -1.614 173.303 174.900 0.029 0.000 1.329 486 G CA -1.053 44.093 45.100 0.076 0.000 0.949 486 G HN 0.645 nan 8.290 nan 0.000 0.476 487 N N 0.970 119.725 118.700 0.092 0.000 2.444 487 N HA 0.256 4.996 4.740 -0.000 0.000 0.271 487 N C 1.641 177.157 175.510 0.011 0.000 1.069 487 N CA -0.516 52.579 53.050 0.075 0.000 0.965 487 N CB 0.986 39.522 38.487 0.082 0.000 1.092 487 N HN 0.398 nan 8.380 nan 0.000 0.476 488 M N 3.394 122.991 119.600 -0.006 0.000 2.132 488 M HA -0.094 4.386 4.480 -0.000 0.000 0.263 488 M C 1.642 177.933 176.300 -0.015 0.000 1.065 488 M CA 0.916 56.197 55.300 -0.030 0.000 1.122 488 M CB -0.550 32.030 32.600 -0.033 0.000 1.365 488 M HN 0.549 nan 8.290 nan 0.000 0.411 489 I N 0.527 121.099 120.570 0.003 0.000 2.286 489 I HA -0.257 3.913 4.170 -0.000 0.000 0.248 489 I C 1.684 177.802 176.117 0.003 0.000 1.115 489 I CA 1.569 62.872 61.300 0.004 0.000 1.392 489 I CB -1.561 36.447 38.000 0.013 0.000 1.065 489 I HN 0.221 nan 8.210 nan 0.000 0.418 490 D N 0.435 120.840 120.400 0.009 0.000 2.144 490 D HA -0.105 4.535 4.640 -0.000 0.000 0.200 490 D C 2.308 178.607 176.300 -0.002 0.000 0.978 490 D CA 0.932 54.937 54.000 0.008 0.000 0.833 490 D CB -0.105 40.707 40.800 0.020 0.000 0.961 490 D HN 0.256 nan 8.370 nan 0.000 0.470 491 M N -1.057 118.536 119.600 -0.012 0.000 2.562 491 M HA 0.111 4.590 4.480 -0.000 0.000 0.257 491 M C 1.042 177.323 176.300 -0.030 0.000 1.099 491 M CA 0.879 56.163 55.300 -0.027 0.000 1.099 491 M CB 0.372 32.943 32.600 -0.049 0.000 1.427 491 M HN 0.162 nan 8.290 nan 0.000 0.489 492 G N 1.766 110.551 108.800 -0.024 0.000 2.130 492 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.216 492 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.216 492 G C -0.034 174.849 174.900 -0.029 0.000 0.999 492 G CA -0.478 44.609 45.100 -0.022 0.000 0.686 492 G HN 0.465 nan 8.290 nan 0.000 0.515 493 I N 1.218 121.767 120.570 -0.035 0.000 2.388 493 I HA 0.513 4.683 4.170 -0.000 0.000 0.281 493 I C 0.188 176.288 176.117 -0.028 0.000 1.046 493 I CA -0.819 60.456 61.300 -0.041 0.000 1.187 493 I CB 0.576 38.536 38.000 -0.066 0.000 1.351 493 I HN 0.239 nan 8.210 nan 0.000 0.472 494 L N 3.615 124.827 121.223 -0.018 0.000 2.403 494 L HA 0.806 5.146 4.340 -0.000 0.000 0.253 494 L C -1.396 175.472 176.870 -0.004 0.000 1.045 494 L CA -0.686 54.149 54.840 -0.008 0.000 0.845 494 L CB 1.697 43.755 42.059 -0.002 0.000 1.447 494 L HN 0.025 nan 8.230 nan 0.000 0.411 495 D N -0.297 120.104 120.400 0.002 0.000 2.879 495 D HA 0.437 5.077 4.640 -0.000 0.000 0.236 495 D C -2.815 173.492 176.300 0.012 0.000 1.171 495 D CA -1.151 52.852 54.000 0.006 0.000 0.868 495 D CB 2.594 43.397 40.800 0.006 0.000 1.598 495 D HN 0.375 nan 8.370 nan 0.000 0.497 496 P HA 0.021 nan 4.420 nan 0.000 0.260 496 P C 0.912 178.224 177.300 0.020 0.000 1.185 496 P CA 0.239 63.350 63.100 0.020 0.000 0.763 496 P CB 0.565 32.281 31.700 0.026 0.000 0.776 497 T N 3.012 117.577 114.554 0.018 0.000 2.714 497 T HA -0.257 4.093 4.350 -0.000 0.000 0.268 497 T C 1.611 176.322 174.700 0.019 0.000 1.036 497 T CA 1.440 63.550 62.100 0.016 0.000 1.148 497 T CB -0.321 68.555 68.868 0.014 0.000 0.856 497 T HN 0.502 nan 8.240 nan 0.000 0.462 498 K N 0.808 121.221 120.400 0.023 0.000 2.152 498 K HA -0.102 4.218 4.320 -0.000 0.000 0.206 498 K C 2.385 179.007 176.600 0.036 0.000 1.048 498 K CA 1.396 57.700 56.287 0.028 0.000 0.933 498 K CB -0.217 32.303 32.500 0.034 0.000 0.721 498 K HN 0.406 nan 8.250 nan 0.000 0.447 499 V N -1.247 118.688 119.914 0.034 0.000 2.446 499 V HA -0.102 4.018 4.120 -0.000 0.000 0.244 499 V C 1.754 177.871 176.094 0.039 0.000 1.039 499 V CA 1.957 64.280 62.300 0.039 0.000 1.045 499 V CB -0.475 31.364 31.823 0.027 0.000 0.681 499 V HN 0.210 nan 8.190 nan 0.000 0.459 500 T N 0.756 115.326 114.554 0.027 0.000 2.708 500 T HA -0.161 4.189 4.350 -0.000 0.000 0.266 500 T C 1.968 176.682 174.700 0.022 0.000 1.037 500 T CA 2.198 64.313 62.100 0.024 0.000 1.146 500 T CB -0.408 68.471 68.868 0.017 0.000 0.865 500 T HN 0.622 nan 8.240 nan 0.000 0.435 501 R N 0.922 121.432 120.500 0.016 0.000 2.083 501 R HA -0.116 4.224 4.340 -0.000 0.000 0.237 501 R C 2.540 178.836 176.300 -0.006 0.000 1.137 501 R CA 1.872 57.972 56.100 -0.000 0.000 0.951 501 R CB -0.416 29.880 30.300 -0.006 0.000 0.851 501 R HN 0.233 nan 8.270 nan 0.000 0.434 502 S N 0.559 116.275 115.700 0.027 0.000 2.351 502 S HA -0.167 4.303 4.470 -0.000 0.000 0.220 502 S C 2.071 176.759 174.600 0.147 0.000 1.035 502 S CA 1.284 59.531 58.200 0.078 0.000 1.031 502 S CB -0.483 62.825 63.200 0.181 0.000 0.928 502 S HN 0.601 nan 8.310 nan 0.000 0.433 503 A N 1.314 124.212 122.820 0.130 0.000 1.903 503 A HA -0.176 4.144 4.320 -0.000 0.000 0.219 503 A C 2.171 179.810 177.584 0.093 0.000 1.191 503 A CA 1.903 54.012 52.037 0.120 0.000 0.638 503 A CB -0.905 18.135 19.000 0.066 0.000 0.823 503 A HN 0.412 nan 8.150 nan 0.000 0.451 504 L N -0.235 121.015 121.223 0.045 0.000 2.005 504 L HA -0.199 4.141 4.340 -0.000 0.000 0.207 504 L C 2.668 179.535 176.870 -0.005 0.000 1.072 504 L CA 2.400 57.252 54.840 0.020 0.000 0.744 504 L CB -0.755 41.307 42.059 0.004 0.000 0.895 504 L HN 0.516 nan 8.230 nan 0.000 0.433 505 Q N -1.512 118.250 119.800 -0.064 0.000 2.096 505 Q HA -0.263 4.077 4.340 -0.000 0.000 0.204 505 Q C 2.226 178.130 176.000 -0.159 0.000 0.982 505 Q CA 2.139 57.850 55.803 -0.153 0.000 0.850 505 Q CB -0.532 28.036 28.738 -0.284 0.000 0.901 505 Q HN 0.514 nan 8.270 nan 0.000 0.422 506 Y N 0.612 120.912 120.300 0.001 0.000 2.133 506 Y HA -0.178 4.372 4.550 -0.000 0.000 0.287 506 Y C 2.571 178.471 175.900 0.000 0.000 1.134 506 Y CA 0.930 59.030 58.100 -0.000 0.000 1.133 506 Y CB -0.889 37.569 38.460 -0.002 0.000 0.987 506 Y HN 0.131 nan 8.280 nan 0.000 0.502 507 A N 0.221 123.138 122.820 0.161 0.000 1.873 507 A HA -0.243 4.077 4.320 -0.000 0.000 0.218 507 A C 2.486 180.107 177.584 0.062 0.000 1.193 507 A CA 2.461 54.553 52.037 0.092 0.000 0.629 507 A CB -1.443 17.594 19.000 0.062 0.000 0.826 507 A HN 0.426 nan 8.150 nan 0.000 0.447 508 A N -0.962 121.881 122.820 0.039 0.000 1.978 508 A HA -0.133 4.187 4.320 -0.000 0.000 0.220 508 A C 2.447 180.045 177.584 0.023 0.000 1.170 508 A CA 2.322 54.371 52.037 0.020 0.000 0.636 508 A CB -0.971 18.028 19.000 -0.001 0.000 0.810 508 A HN 0.618 nan 8.150 nan 0.000 0.448 509 S N -0.883 114.837 115.700 0.034 0.000 2.354 509 S HA -0.161 4.309 4.470 -0.000 0.000 0.219 509 S C 2.010 176.639 174.600 0.050 0.000 1.035 509 S CA 1.860 60.085 58.200 0.041 0.000 1.037 509 S CB -0.693 62.551 63.200 0.074 0.000 0.956 509 S HN 0.707 nan 8.310 nan 0.000 0.428 510 V N 1.982 121.936 119.914 0.067 0.000 2.343 510 V HA -0.049 4.071 4.120 -0.000 0.000 0.247 510 V C 2.565 178.680 176.094 0.036 0.000 1.051 510 V CA 2.207 64.537 62.300 0.050 0.000 1.036 510 V CB -1.270 30.584 31.823 0.051 0.000 0.654 510 V HN 0.599 nan 8.190 nan 0.000 0.451 511 A N 0.254 123.094 122.820 0.034 0.000 1.892 511 A HA -0.116 4.204 4.320 -0.000 0.000 0.218 511 A C 2.407 180.004 177.584 0.021 0.000 1.188 511 A CA 2.264 54.316 52.037 0.025 0.000 0.631 511 A CB -1.624 17.390 19.000 0.023 0.000 0.822 511 A HN 0.710 nan 8.150 nan 0.000 0.447 512 G N -0.259 108.553 108.800 0.021 0.000 2.459 512 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.217 512 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.217 512 G C 1.578 176.488 174.900 0.018 0.000 1.183 512 G CA 1.074 46.183 45.100 0.016 0.000 0.776 512 G HN 0.438 nan 8.290 nan 0.000 0.552 513 L N -0.329 120.907 121.223 0.022 0.000 2.013 513 L HA -0.147 4.193 4.340 -0.000 0.000 0.212 513 L C 3.135 180.018 176.870 0.021 0.000 1.073 513 L CA 1.464 56.317 54.840 0.022 0.000 0.753 513 L CB -0.360 41.715 42.059 0.026 0.000 0.890 513 L HN 0.251 nan 8.230 nan 0.000 0.432 514 M N -0.715 118.898 119.600 0.021 0.000 2.132 514 M HA -0.199 4.281 4.480 -0.000 0.000 0.263 514 M C 2.248 178.558 176.300 0.017 0.000 1.065 514 M CA 1.711 57.022 55.300 0.019 0.000 1.122 514 M CB -0.263 32.349 32.600 0.019 0.000 1.365 514 M HN 0.192 nan 8.290 nan 0.000 0.411 515 I N -0.155 120.424 120.570 0.016 0.000 2.454 515 I HA -0.210 3.960 4.170 -0.000 0.000 0.254 515 I C 1.717 177.843 176.117 0.015 0.000 1.156 515 I CA 1.391 62.699 61.300 0.014 0.000 1.433 515 I CB -0.657 37.350 38.000 0.012 0.000 1.082 515 I HN 0.396 nan 8.210 nan 0.000 0.432 516 T N -3.006 111.558 114.554 0.017 0.000 3.251 516 T HA 0.172 4.522 4.350 -0.000 0.000 0.259 516 T C 0.466 175.179 174.700 0.023 0.000 0.998 516 T CA -0.326 61.786 62.100 0.019 0.000 0.905 516 T CB -0.391 68.488 68.868 0.017 0.000 1.067 516 T HN -0.057 nan 8.240 nan 0.000 0.569 517 T N 1.866 116.433 114.554 0.022 0.000 2.875 517 T HA 0.403 4.753 4.350 -0.000 0.000 0.284 517 T C 0.471 175.189 174.700 0.031 0.000 0.995 517 T CA -0.599 61.516 62.100 0.024 0.000 1.060 517 T CB 1.777 70.656 68.868 0.018 0.000 0.967 517 T HN 0.071 nan 8.240 nan 0.000 0.476 518 E N 0.193 120.420 120.200 0.046 0.000 2.571 518 E HA 0.202 4.552 4.350 -0.000 0.000 0.222 518 E C -0.307 176.352 176.600 0.097 0.000 0.904 518 E CA 0.055 56.504 56.400 0.083 0.000 1.157 518 E CB 0.857 30.623 29.700 0.110 0.000 1.158 518 E HN 0.570 nan 8.360 nan 0.000 0.540 519 C N 0.730 120.037 119.300 0.012 0.000 2.891 519 C HA 0.651 5.111 4.460 -0.000 0.000 0.342 519 C C -1.391 173.518 174.990 -0.136 0.000 1.126 519 C CA -0.568 58.361 59.018 -0.147 0.000 1.322 519 C CB 0.396 28.062 27.740 -0.123 0.000 1.763 519 C HN 0.125 nan 8.230 nan 0.000 0.491 520 M N 5.237 124.725 119.600 -0.186 0.000 2.326 520 M HA 0.595 5.075 4.480 -0.000 0.000 0.306 520 M C -1.040 175.297 176.300 0.062 0.000 1.054 520 M CA -0.563 54.741 55.300 0.007 0.000 0.922 520 M CB 2.080 34.775 32.600 0.159 0.000 1.632 520 M HN 0.392 nan 8.290 nan 0.000 0.436 521 V N 1.717 121.658 119.914 0.045 0.000 2.487 521 V HA 0.780 4.900 4.120 -0.000 0.000 0.298 521 V C -0.281 175.790 176.094 -0.038 0.000 1.028 521 V CA -0.294 62.014 62.300 0.014 0.000 0.860 521 V CB 2.076 33.885 31.823 -0.023 0.000 0.991 521 V HN 0.962 nan 8.190 nan 0.000 0.427 522 T N 2.421 116.908 114.554 -0.111 0.000 2.762 522 T HA 0.394 4.744 4.350 -0.000 0.000 0.301 522 T C -1.368 173.219 174.700 -0.189 0.000 1.299 522 T CA -0.578 61.391 62.100 -0.218 0.000 1.005 522 T CB 1.814 70.404 68.868 -0.464 0.000 1.377 522 T HN 0.649 nan 8.240 nan 0.000 0.504 523 D N 1.186 121.482 120.400 -0.173 0.000 2.372 523 D HA 0.409 5.049 4.640 -0.000 0.000 0.243 523 D C -0.346 175.878 176.300 -0.127 0.000 1.121 523 D CA -0.189 53.740 54.000 -0.119 0.000 0.898 523 D CB 0.453 41.199 40.800 -0.090 0.000 1.202 523 D HN 0.192 nan 8.370 nan 0.000 0.428 524 L N 3.535 124.715 121.223 -0.071 0.000 2.367 524 L HA 0.295 4.635 4.340 -0.000 0.000 0.275 524 L C -1.545 175.298 176.870 -0.046 0.000 1.129 524 L CA -1.237 53.575 54.840 -0.047 0.000 0.839 524 L CB -0.038 42.011 42.059 -0.017 0.000 1.133 524 L HN 0.419 nan 8.230 nan 0.000 0.453 525 P HA 0.000 nan 4.420 nan 0.000 0.216 525 P CA 0.000 63.081 63.100 -0.032 0.000 0.800 525 P CB 0.000 31.685 31.700 -0.025 0.000 0.726