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_B DATA FIRST_RESID 2 DATA SEQUENCE AAKDVKFGND ARVKMLRGVN VLADAVKVTL GPKGRNVVLD KSFGAPTITK DATA SEQUENCE DGVSVAREIE LEDKFENMGA QMVKEVASKA NDAAGDGTTT ATVLAQAIIT DATA SEQUENCE EGLKAVAAGM NPMDLKRGID KAVTAAVEEL KALSVPCSDS KAIAQVGTIS DATA SEQUENCE ANSDETVGKL IAEAMDKVGK EGVITVEDGT GLQDELDVVE GMQFDRGYLS DATA SEQUENCE PYFINKPETG AVELESPFIL LADKKISNIR EMLPVLEAVA KAGKPLLIIA DATA SEQUENCE EDVEGEALAT LVVNTMRGIV KVAAVKAPGF GDRRKAMLQD IATLTGGTVI DATA SEQUENCE SEEIGMELEK ATLEDLGQAK RVVINKDTTT IIDGVGEEAA IQGRVAQIRQ DATA SEQUENCE QIEEATSDYD REKLQERVAK LAGGVAVIKV GAATEVEMKE KKARVEDALH DATA SEQUENCE ATRAAVEEGV VAGGGVALIR VASKLADLRG QNEDQNVGIK VALRAMEAPL DATA SEQUENCE RQIVLNCGEK PSVVANTVKG GDGNYGYNAA TEEYGNMIDM GILDPTKVTR DATA SEQUENCE SALQYAASVA GLMITTECMV TDLP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.582 177.584 -0.004 0.000 1.274 2 A CA 0.000 52.034 52.037 -0.005 0.000 0.836 2 A CB 0.000 18.997 19.000 -0.005 0.000 0.831 3 A N 0.516 123.335 122.820 -0.001 0.000 2.561 3 A HA 0.495 4.815 4.320 -0.000 0.000 0.234 3 A C 0.100 177.682 177.584 -0.003 0.000 1.055 3 A CA 0.623 52.662 52.037 0.003 0.000 0.756 3 A CB -0.229 18.775 19.000 0.006 0.000 0.986 3 A HN 0.529 nan 8.150 nan 0.000 0.505 4 K N 0.869 121.272 120.400 0.005 0.000 2.352 4 K HA 0.522 4.842 4.320 -0.000 0.000 0.240 4 K C -1.355 175.257 176.600 0.020 0.000 1.017 4 K CA -0.730 55.555 56.287 -0.003 0.000 0.851 4 K CB 1.682 34.181 32.500 -0.002 0.000 1.261 4 K HN 0.736 nan 8.250 nan 0.000 0.451 5 D N 0.534 120.948 120.400 0.023 0.000 2.375 5 D HA 0.441 5.081 4.640 -0.000 0.000 0.247 5 D C -1.444 174.958 176.300 0.169 0.000 1.061 5 D CA -0.567 53.496 54.000 0.105 0.000 0.834 5 D CB 1.538 42.416 40.800 0.130 0.000 1.247 5 D HN 0.088 nan 8.370 nan 0.000 0.489 6 V N 4.163 124.158 119.914 0.134 0.000 2.483 6 V HA 0.432 4.552 4.120 -0.000 0.000 0.297 6 V C 0.101 176.096 176.094 -0.165 0.000 1.027 6 V CA -0.857 61.431 62.300 -0.020 0.000 0.855 6 V CB 1.750 33.507 31.823 -0.110 0.000 0.995 6 V HN 0.385 nan 8.190 nan 0.000 0.424 7 K N 3.341 123.535 120.400 -0.342 0.000 2.208 7 K HA 0.760 5.080 4.320 -0.000 0.000 0.247 7 K C -1.533 174.734 176.600 -0.556 0.000 0.953 7 K CA -0.571 55.460 56.287 -0.428 0.000 0.837 7 K CB 2.338 34.398 32.500 -0.733 0.000 1.131 7 K HN 0.435 nan 8.250 nan 0.000 0.431 8 F N -0.384 119.505 119.950 -0.102 0.000 2.577 8 F HA 0.321 4.848 4.527 0.000 0.000 0.318 8 F C 1.225 176.988 175.800 -0.062 0.000 1.065 8 F CA 0.098 58.062 58.000 -0.060 0.000 0.929 8 F CB 1.681 40.660 39.000 -0.036 0.000 1.237 8 F HN 0.849 nan 8.300 nan 0.000 0.468 9 G N 2.332 111.245 108.800 0.188 0.000 2.684 9 G HA2 -0.464 3.496 3.960 -0.000 0.000 0.342 9 G HA3 -0.464 3.496 3.960 -0.000 0.000 0.342 9 G C 1.420 176.337 174.900 0.029 0.000 1.316 9 G CA 1.020 46.174 45.100 0.089 0.000 0.994 9 G HN 0.758 nan 8.290 nan 0.000 0.541 10 N N 0.402 119.115 118.700 0.020 0.000 2.037 10 N HA -0.221 4.519 4.740 -0.000 0.000 0.196 10 N C 1.889 177.383 175.510 -0.026 0.000 1.034 10 N CA 2.396 55.444 53.050 -0.002 0.000 0.861 10 N CB -0.399 38.088 38.487 -0.000 0.000 1.039 10 N HN 0.589 nan 8.380 nan 0.000 0.427 11 D N 0.398 120.781 120.400 -0.030 0.000 2.127 11 D HA -0.136 4.504 4.640 -0.000 0.000 0.190 11 D C 1.698 177.914 176.300 -0.139 0.000 1.000 11 D CA 1.822 55.779 54.000 -0.073 0.000 0.839 11 D CB -0.494 40.267 40.800 -0.065 0.000 0.955 11 D HN 0.372 nan 8.370 nan 0.000 0.446 12 A N 0.065 122.787 122.820 -0.164 0.000 2.070 12 A HA -0.136 4.184 4.320 -0.000 0.000 0.220 12 A C 2.312 179.821 177.584 -0.126 0.000 1.159 12 A CA 1.210 53.105 52.037 -0.236 0.000 0.656 12 A CB -0.346 18.521 19.000 -0.221 0.000 0.800 12 A HN 0.220 nan 8.150 nan 0.000 0.453 13 R N -0.566 119.893 120.500 -0.068 0.000 2.055 13 R HA -0.062 4.278 4.340 -0.000 0.000 0.226 13 R C 2.260 178.543 176.300 -0.029 0.000 1.135 13 R CA 1.411 57.491 56.100 -0.033 0.000 0.959 13 R CB -0.697 29.594 30.300 -0.015 0.000 0.854 13 R HN 0.542 nan 8.270 nan 0.000 0.431 14 V N 0.404 120.298 119.914 -0.034 0.000 2.380 14 V HA -0.270 3.850 4.120 -0.000 0.000 0.251 14 V C 1.974 178.057 176.094 -0.019 0.000 1.063 14 V CA 1.632 63.918 62.300 -0.023 0.000 1.055 14 V CB -0.496 31.312 31.823 -0.025 0.000 0.657 14 V HN 0.121 nan 8.190 nan 0.000 0.455 15 K N 0.029 120.405 120.400 -0.040 0.000 2.032 15 K HA -0.081 4.239 4.320 -0.000 0.000 0.209 15 K C 2.250 178.868 176.600 0.031 0.000 1.048 15 K CA 2.343 58.625 56.287 -0.009 0.000 0.927 15 K CB -0.580 31.887 32.500 -0.055 0.000 0.712 15 K HN 0.589 nan 8.250 nan 0.000 0.441 16 M N 0.219 119.834 119.600 0.025 0.000 2.067 16 M HA -0.202 4.278 4.480 -0.000 0.000 0.260 16 M C 2.291 178.605 176.300 0.025 0.000 1.069 16 M CA 1.231 56.553 55.300 0.037 0.000 1.117 16 M CB -0.485 32.133 32.600 0.029 0.000 1.334 16 M HN 0.052 nan 8.290 nan 0.000 0.407 17 L N 0.798 122.029 121.223 0.014 0.000 1.970 17 L HA -0.229 4.111 4.340 -0.000 0.000 0.212 17 L C 2.513 179.390 176.870 0.012 0.000 1.071 17 L CA 2.087 56.934 54.840 0.011 0.000 0.751 17 L CB -0.775 41.287 42.059 0.006 0.000 0.889 17 L HN 0.188 nan 8.230 nan 0.000 0.432 18 R N -0.368 120.139 120.500 0.012 0.000 2.119 18 R HA -0.169 4.171 4.340 -0.000 0.000 0.246 18 R C 2.101 178.412 176.300 0.017 0.000 1.146 18 R CA 1.984 58.092 56.100 0.013 0.000 0.962 18 R CB -1.152 29.157 30.300 0.015 0.000 0.863 18 R HN 0.576 nan 8.270 nan 0.000 0.442 19 G N -0.523 108.292 108.800 0.024 0.000 2.404 19 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.214 19 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.214 19 G C 1.409 176.319 174.900 0.016 0.000 1.189 19 G CA 0.596 45.710 45.100 0.024 0.000 0.789 19 G HN 0.299 nan 8.290 nan 0.000 0.533 20 V N 1.266 121.190 119.914 0.016 0.000 2.568 20 V HA -0.174 3.946 4.120 -0.000 0.000 0.253 20 V C 2.334 178.433 176.094 0.009 0.000 1.072 20 V CA 2.413 64.720 62.300 0.011 0.000 1.084 20 V CB -0.532 31.299 31.823 0.013 0.000 0.676 20 V HN 0.276 nan 8.190 nan 0.000 0.469 21 N N 0.251 118.957 118.700 0.009 0.000 2.166 21 N HA -0.112 4.628 4.740 -0.000 0.000 0.186 21 N C 1.761 177.274 175.510 0.005 0.000 1.019 21 N CA 1.793 54.847 53.050 0.007 0.000 0.856 21 N CB -0.422 38.069 38.487 0.007 0.000 0.993 21 N HN 0.493 nan 8.380 nan 0.000 0.426 22 V N 1.555 121.473 119.914 0.006 0.000 2.295 22 V HA -0.198 3.922 4.120 -0.000 0.000 0.246 22 V C 2.419 178.513 176.094 0.001 0.000 1.049 22 V CA 1.144 63.446 62.300 0.003 0.000 1.024 22 V CB -0.658 31.167 31.823 0.004 0.000 0.648 22 V HN 0.195 nan 8.190 nan 0.000 0.447 23 L N 1.132 122.355 121.223 0.001 0.000 1.970 23 L HA -0.111 4.229 4.340 -0.000 0.000 0.212 23 L C 2.490 179.359 176.870 -0.001 0.000 1.071 23 L CA 2.550 57.390 54.840 -0.001 0.000 0.751 23 L CB -1.183 40.875 42.059 -0.001 0.000 0.889 23 L HN 0.214 nan 8.230 nan 0.000 0.432 24 A N -0.728 122.093 122.820 0.001 0.000 1.883 24 A HA -0.234 4.086 4.320 -0.000 0.000 0.217 24 A C 2.002 179.586 177.584 0.001 0.000 1.186 24 A CA 1.994 54.032 52.037 0.001 0.000 0.624 24 A CB -0.971 18.031 19.000 0.004 0.000 0.822 24 A HN 0.616 nan 8.150 nan 0.000 0.444 25 D N 0.004 120.405 120.400 0.001 0.000 2.178 25 D HA -0.022 4.618 4.640 -0.000 0.000 0.202 25 D C 2.139 178.438 176.300 -0.001 0.000 0.974 25 D CA 1.389 55.389 54.000 0.000 0.000 0.841 25 D CB -0.353 40.447 40.800 0.001 0.000 0.953 25 D HN 0.461 nan 8.370 nan 0.000 0.478 26 A N 0.585 123.403 122.820 -0.002 0.000 1.929 26 A HA -0.059 4.261 4.320 -0.000 0.000 0.216 26 A C 2.358 179.939 177.584 -0.005 0.000 1.176 26 A CA 0.764 52.798 52.037 -0.004 0.000 0.628 26 A CB -0.489 18.508 19.000 -0.005 0.000 0.816 26 A HN 0.174 nan 8.150 nan 0.000 0.444 27 V N 0.871 120.782 119.914 -0.005 0.000 2.649 27 V HA -0.134 3.986 4.120 -0.000 0.000 0.248 27 V C 2.404 178.495 176.094 -0.005 0.000 1.054 27 V CA 2.113 64.409 62.300 -0.007 0.000 1.073 27 V CB -0.383 31.435 31.823 -0.008 0.000 0.699 27 V HN 0.809 nan 8.190 nan 0.000 0.463 28 K N 0.648 121.047 120.400 -0.003 0.000 2.366 28 K HA -0.022 4.298 4.320 -0.000 0.000 0.198 28 K C 1.451 178.050 176.600 -0.001 0.000 1.044 28 K CA 1.551 57.837 56.287 -0.001 0.000 0.973 28 K CB -0.487 32.014 32.500 0.001 0.000 0.767 28 K HN 0.485 nan 8.250 nan 0.000 0.475 29 V N 0.057 119.970 119.914 -0.002 0.000 3.541 29 V HA -0.031 4.089 4.120 -0.000 0.000 0.272 29 V C 1.274 177.366 176.094 -0.003 0.000 1.215 29 V CA 1.094 63.393 62.300 -0.002 0.000 1.176 29 V CB -1.257 30.564 31.823 -0.002 0.000 0.854 29 V HN 0.473 nan 8.190 nan 0.000 0.496 30 T N -1.967 112.584 114.554 -0.004 0.000 3.275 30 T HA 0.543 4.893 4.350 -0.000 0.000 0.265 30 T C -0.326 174.370 174.700 -0.007 0.000 0.978 30 T CA -0.359 61.738 62.100 -0.006 0.000 0.923 30 T CB 0.052 68.915 68.868 -0.008 0.000 1.126 30 T HN 0.227 nan 8.240 nan 0.000 0.538 31 L N 2.021 123.241 121.223 -0.005 0.000 2.317 31 L HA 0.762 5.102 4.340 -0.000 0.000 0.281 31 L C 0.735 177.602 176.870 -0.006 0.000 1.024 31 L CA 0.542 55.379 54.840 -0.004 0.000 0.810 31 L CB 0.998 43.057 42.059 -0.001 0.000 1.240 31 L HN 0.636 nan 8.230 nan 0.000 0.427 32 G N 4.682 113.476 108.800 -0.010 0.000 3.350 32 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.646 32 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.646 32 G C -1.904 172.983 174.900 -0.021 0.000 0.929 32 G CA -0.508 44.582 45.100 -0.017 0.000 1.073 32 G HN 0.631 nan 8.290 nan 0.000 0.543 33 P HA -0.307 nan 4.420 nan 0.000 0.264 33 P C 1.265 178.551 177.300 -0.024 0.000 0.781 33 P CA 2.451 65.531 63.100 -0.034 0.000 1.023 33 P CB -0.358 31.311 31.700 -0.052 0.000 0.847 34 K N 0.463 120.851 120.400 -0.020 0.000 3.120 34 K HA 0.177 4.497 4.320 -0.000 0.000 0.275 34 K C 1.098 177.694 176.600 -0.007 0.000 0.914 34 K CA 0.187 56.467 56.287 -0.011 0.000 1.125 34 K CB -1.003 31.493 32.500 -0.006 0.000 1.053 34 K HN 0.322 nan 8.250 nan 0.000 0.450 35 G N 1.164 109.958 108.800 -0.009 0.000 2.544 35 G HA2 0.059 4.019 3.960 -0.000 0.000 0.242 35 G HA3 0.059 4.019 3.960 -0.000 0.000 0.242 35 G C 0.180 175.076 174.900 -0.006 0.000 1.247 35 G CA -0.588 44.508 45.100 -0.007 0.000 0.840 35 G HN 0.170 nan 8.290 nan 0.000 0.578 36 R N 0.424 120.921 120.500 -0.005 0.000 2.606 36 R HA 0.312 4.652 4.340 -0.000 0.000 0.249 36 R C -0.086 176.210 176.300 -0.006 0.000 1.127 36 R CA -0.957 55.140 56.100 -0.005 0.000 1.133 36 R CB 0.105 30.403 30.300 -0.004 0.000 1.243 36 R HN 0.627 nan 8.270 nan 0.000 0.558 37 N N -1.122 117.574 118.700 -0.006 0.000 2.489 37 N HA 0.465 5.205 4.740 -0.000 0.000 0.284 37 N C -1.105 174.401 175.510 -0.007 0.000 1.158 37 N CA -0.606 52.440 53.050 -0.007 0.000 0.965 37 N CB 1.482 39.965 38.487 -0.006 0.000 1.195 37 N HN 0.087 nan 8.380 nan 0.000 0.506 38 V N 1.178 121.088 119.914 -0.008 0.000 2.525 38 V HA 0.321 4.441 4.120 -0.000 0.000 0.299 38 V C -0.607 175.481 176.094 -0.009 0.000 1.034 38 V CA -0.884 61.411 62.300 -0.008 0.000 0.863 38 V CB 1.679 33.497 31.823 -0.009 0.000 0.999 38 V HN 0.352 nan 8.190 nan 0.000 0.423 39 V N 6.214 126.122 119.914 -0.010 0.000 2.385 39 V HA 0.386 4.506 4.120 -0.000 0.000 0.269 39 V C -0.017 176.069 176.094 -0.012 0.000 1.043 39 V CA -0.342 61.952 62.300 -0.011 0.000 0.906 39 V CB 1.086 32.902 31.823 -0.011 0.000 0.995 39 V HN 0.651 nan 8.190 nan 0.000 0.467 40 L N 4.165 125.381 121.223 -0.012 0.000 2.259 40 L HA 0.408 4.748 4.340 -0.000 0.000 0.288 40 L C 0.226 177.087 176.870 -0.014 0.000 1.051 40 L CA -0.410 54.422 54.840 -0.013 0.000 0.824 40 L CB 0.904 42.956 42.059 -0.011 0.000 1.206 40 L HN 0.599 nan 8.230 nan 0.000 0.429 41 D N 3.586 123.974 120.400 -0.019 0.000 2.424 41 D HA 0.063 4.703 4.640 -0.000 0.000 0.244 41 D C -0.240 176.047 176.300 -0.022 0.000 1.134 41 D CA 0.272 54.257 54.000 -0.025 0.000 0.881 41 D CB 0.843 41.621 40.800 -0.036 0.000 1.191 41 D HN 0.348 nan 8.370 nan 0.000 0.445 42 K N 2.487 122.875 120.400 -0.020 0.000 2.413 42 K HA 0.246 4.566 4.320 -0.000 0.000 0.257 42 K C 1.117 177.714 176.600 -0.005 0.000 0.946 42 K CA -0.359 55.925 56.287 -0.005 0.000 0.823 42 K CB 0.997 33.502 32.500 0.009 0.000 1.109 42 K HN 0.655 nan 8.250 nan 0.000 0.427 43 S N 3.812 119.515 115.700 0.005 0.000 2.206 43 S HA -0.310 4.160 4.470 -0.000 0.000 0.454 43 S C 0.448 175.040 174.600 -0.013 0.000 1.033 43 S CA 1.288 59.501 58.200 0.021 0.000 2.646 43 S CB -0.836 62.421 63.200 0.094 0.000 1.946 43 S HN 0.529 nan 8.310 nan 0.000 0.522 44 F N 2.426 122.373 119.950 -0.005 0.000 2.507 44 F HA 0.675 5.202 4.527 -0.000 0.000 0.325 44 F C 0.903 176.700 175.800 -0.004 0.000 1.116 44 F CA 0.658 58.655 58.000 -0.004 0.000 0.930 44 F CB 1.768 40.765 39.000 -0.004 0.000 1.146 44 F HN 0.951 nan 8.300 nan 0.000 0.447 45 G N 1.768 110.685 108.800 0.195 0.000 2.280 45 G HA2 0.416 4.376 3.960 -0.000 0.000 0.277 45 G HA3 0.416 4.376 3.960 -0.000 0.000 0.277 45 G C -1.804 173.124 174.900 0.048 0.000 1.288 45 G CA -0.437 44.736 45.100 0.121 0.000 1.075 45 G HN 0.992 nan 8.290 nan 0.000 0.480 46 A N 0.584 123.424 122.820 0.034 0.000 2.306 46 A HA 0.876 5.196 4.320 -0.000 0.000 0.314 46 A C -1.662 175.925 177.584 0.005 0.000 1.164 46 A CA -0.841 51.204 52.037 0.013 0.000 0.822 46 A CB 0.277 19.285 19.000 0.014 0.000 1.130 46 A HN 0.608 nan 8.150 nan 0.000 0.496 47 P HA 0.189 nan 4.420 nan 0.000 0.272 47 P C -0.268 177.030 177.300 -0.004 0.000 1.243 47 P CA 0.272 63.367 63.100 -0.009 0.000 0.803 47 P CB 0.365 32.056 31.700 -0.014 0.000 0.974 48 T N 1.067 115.618 114.554 -0.005 0.000 2.792 48 T HA 0.536 4.886 4.350 -0.000 0.000 0.280 48 T C -0.047 174.649 174.700 -0.006 0.000 0.990 48 T CA -0.322 61.776 62.100 -0.004 0.000 0.960 48 T CB 0.244 69.110 68.868 -0.004 0.000 0.939 48 T HN 0.154 nan 8.240 nan 0.000 0.439 49 I N 2.870 123.437 120.570 -0.005 0.000 2.330 49 I HA 0.470 4.640 4.170 -0.000 0.000 0.289 49 I C 0.396 176.509 176.117 -0.006 0.000 1.001 49 I CA -0.381 60.915 61.300 -0.006 0.000 1.193 49 I CB 1.579 39.576 38.000 -0.006 0.000 1.345 49 I HN 0.491 nan 8.210 nan 0.000 0.461 50 T N 4.642 119.192 114.554 -0.008 0.000 2.883 50 T HA 0.417 4.767 4.350 -0.000 0.000 0.296 50 T C 0.135 174.829 174.700 -0.009 0.000 1.117 50 T CA -0.519 61.576 62.100 -0.008 0.000 1.006 50 T CB 1.800 70.662 68.868 -0.009 0.000 1.191 50 T HN 0.623 nan 8.240 nan 0.000 0.508 51 K N 0.963 121.358 120.400 -0.009 0.000 2.447 51 K HA 0.195 4.515 4.320 -0.000 0.000 0.205 51 K C -0.686 175.908 176.600 -0.011 0.000 1.059 51 K CA -0.214 56.067 56.287 -0.010 0.000 1.065 51 K CB 0.578 33.072 32.500 -0.010 0.000 0.885 51 K HN 0.425 nan 8.250 nan 0.000 0.545 52 D N 0.451 120.844 120.400 -0.012 0.000 2.352 52 D HA 0.077 4.717 4.640 -0.000 0.000 0.245 52 D C 1.264 177.555 176.300 -0.015 0.000 1.224 52 D CA 0.020 54.011 54.000 -0.014 0.000 0.879 52 D CB 1.096 41.887 40.800 -0.015 0.000 1.057 52 D HN 0.220 nan 8.370 nan 0.000 0.491 53 G N 2.555 111.346 108.800 -0.015 0.000 2.469 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 1.517 176.405 174.900 -0.019 0.000 1.136 53 G CA 1.073 46.163 45.100 -0.016 0.000 0.759 53 G HN 0.494 nan 8.290 nan 0.000 0.562 54 V N 0.985 120.885 119.914 -0.023 0.000 2.287 54 V HA -0.206 3.914 4.120 -0.000 0.000 0.248 54 V C 2.971 179.050 176.094 -0.025 0.000 1.053 54 V CA 2.310 64.593 62.300 -0.028 0.000 1.027 54 V CB -1.013 30.790 31.823 -0.032 0.000 0.646 54 V HN 0.342 nan 8.190 nan 0.000 0.447 55 S N -0.014 115.673 115.700 -0.021 0.000 2.368 55 S HA -0.115 4.355 4.470 -0.000 0.000 0.224 55 S C 2.052 176.641 174.600 -0.018 0.000 1.029 55 S CA 1.350 59.539 58.200 -0.019 0.000 0.988 55 S CB -0.235 62.956 63.200 -0.016 0.000 0.838 55 S HN 0.373 nan 8.310 nan 0.000 0.462 56 V N 1.998 121.903 119.914 -0.016 0.000 2.343 56 V HA -0.198 3.922 4.120 -0.000 0.000 0.247 56 V C 2.629 178.714 176.094 -0.016 0.000 1.051 56 V CA 1.720 64.011 62.300 -0.015 0.000 1.036 56 V CB -1.078 30.738 31.823 -0.013 0.000 0.654 56 V HN 0.544 nan 8.190 nan 0.000 0.451 57 A N -0.358 122.452 122.820 -0.018 0.000 1.930 57 A HA -0.231 4.089 4.320 -0.000 0.000 0.217 57 A C 2.395 179.966 177.584 -0.021 0.000 1.175 57 A CA 1.778 53.803 52.037 -0.019 0.000 0.627 57 A CB -0.592 18.394 19.000 -0.022 0.000 0.815 57 A HN 0.455 nan 8.150 nan 0.000 0.443 58 R N -0.373 120.112 120.500 -0.024 0.000 2.117 58 R HA -0.177 4.163 4.340 -0.000 0.000 0.243 58 R C 1.653 177.940 176.300 -0.023 0.000 1.143 58 R CA 1.774 57.858 56.100 -0.026 0.000 0.968 58 R CB -0.121 30.162 30.300 -0.028 0.000 0.863 58 R HN 0.526 nan 8.270 nan 0.000 0.444 59 E N 0.251 120.439 120.200 -0.019 0.000 2.122 59 E HA -0.020 4.330 4.350 -0.000 0.000 0.190 59 E C 0.709 177.299 176.600 -0.016 0.000 0.977 59 E CA 0.065 56.455 56.400 -0.017 0.000 0.820 59 E CB 0.031 29.722 29.700 -0.015 0.000 0.770 59 E HN 0.222 nan 8.360 nan 0.000 0.462 60 I N 2.308 122.869 120.570 -0.015 0.000 2.826 60 I HA -0.083 4.087 4.170 -0.000 0.000 0.295 60 I C 0.531 176.640 176.117 -0.013 0.000 1.213 60 I CA 0.989 62.282 61.300 -0.012 0.000 1.436 60 I CB -0.283 37.710 38.000 -0.011 0.000 1.348 60 I HN 0.096 nan 8.210 nan 0.000 0.570 61 E N 7.094 127.287 120.200 -0.011 0.000 2.539 61 E HA 0.267 4.617 4.350 -0.000 0.000 0.332 61 E C -1.421 175.173 176.600 -0.011 0.000 0.910 61 E CA -0.477 55.916 56.400 -0.012 0.000 0.785 61 E CB 0.943 30.634 29.700 -0.015 0.000 1.406 61 E HN 0.437 nan 8.360 nan 0.000 0.391 62 L N 2.696 123.915 121.223 -0.007 0.000 2.475 62 L HA 0.266 4.606 4.340 -0.000 0.000 0.253 62 L C 1.740 178.605 176.870 -0.008 0.000 1.198 62 L CA -0.049 54.789 54.840 -0.004 0.000 0.814 62 L CB 0.485 42.546 42.059 0.005 0.000 1.134 62 L HN 0.696 nan 8.230 nan 0.000 0.478 63 E N 0.231 120.428 120.200 -0.005 0.000 2.051 63 E HA -0.145 4.205 4.350 -0.000 0.000 0.189 63 E C 0.504 177.097 176.600 -0.011 0.000 0.979 63 E CA 0.143 56.537 56.400 -0.009 0.000 0.803 63 E CB 0.264 29.962 29.700 -0.005 0.000 0.761 63 E HN 0.658 nan 8.360 nan 0.000 0.451 64 D N 1.131 121.535 120.400 0.007 0.000 2.412 64 D HA -0.076 4.564 4.640 -0.000 0.000 0.257 64 D C 0.759 177.052 176.300 -0.012 0.000 1.217 64 D CA 0.018 54.031 54.000 0.022 0.000 0.897 64 D CB 0.836 41.677 40.800 0.068 0.000 1.132 64 D HN 0.063 nan 8.370 nan 0.000 0.493 65 K N 3.821 124.164 120.400 -0.095 0.000 2.144 65 K HA -0.215 4.105 4.320 -0.000 0.000 0.209 65 K C 1.870 178.320 176.600 -0.250 0.000 1.047 65 K CA 1.361 57.514 56.287 -0.223 0.000 0.927 65 K CB -0.508 31.759 32.500 -0.388 0.000 0.716 65 K HN 0.474 nan 8.250 nan 0.000 0.454 66 F N 1.541 121.478 119.950 -0.021 0.000 2.118 66 F HA -0.024 4.503 4.527 -0.000 0.000 0.293 66 F C 2.510 178.299 175.800 -0.020 0.000 1.102 66 F CA 0.963 58.948 58.000 -0.025 0.000 1.247 66 F CB -0.624 38.359 39.000 -0.028 0.000 1.017 66 F HN 0.075 nan 8.300 nan 0.000 0.475 67 E N 0.066 120.372 120.200 0.177 0.000 2.118 67 E HA -0.273 4.077 4.350 -0.000 0.000 0.195 67 E C 1.856 178.488 176.600 0.053 0.000 0.992 67 E CA 1.390 57.845 56.400 0.093 0.000 0.804 67 E CB -0.303 29.437 29.700 0.066 0.000 0.741 67 E HN 0.300 nan 8.360 nan 0.000 0.458 68 N N 0.542 119.261 118.700 0.030 0.000 2.025 68 N HA -0.184 4.556 4.740 -0.000 0.000 0.194 68 N C 1.738 177.252 175.510 0.006 0.000 1.044 68 N CA 1.582 54.634 53.050 0.004 0.000 0.851 68 N CB -0.063 38.411 38.487 -0.022 0.000 1.036 68 N HN 0.040 nan 8.380 nan 0.000 0.422 69 M N -0.380 119.223 119.600 0.005 0.000 2.103 69 M HA -0.181 4.299 4.480 -0.000 0.000 0.255 69 M C 2.191 178.506 176.300 0.024 0.000 1.074 69 M CA 2.034 57.341 55.300 0.011 0.000 1.090 69 M CB -0.931 31.686 32.600 0.027 0.000 1.325 69 M HN 0.390 nan 8.290 nan 0.000 0.403 70 G N -0.348 108.477 108.800 0.042 0.000 2.491 70 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.218 70 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.218 70 G C 1.594 176.506 174.900 0.020 0.000 1.180 70 G CA 1.194 46.314 45.100 0.034 0.000 0.774 70 G HN 0.587 nan 8.290 nan 0.000 0.562 71 A N -0.516 122.314 122.820 0.016 0.000 1.930 71 A HA 0.006 4.326 4.320 -0.000 0.000 0.217 71 A C 2.363 179.947 177.584 0.000 0.000 1.175 71 A CA 1.751 53.792 52.037 0.007 0.000 0.627 71 A CB -0.282 18.720 19.000 0.005 0.000 0.815 71 A HN 0.311 nan 8.150 nan 0.000 0.443 72 Q N -0.837 118.962 119.800 -0.001 0.000 2.291 72 Q HA -0.027 4.313 4.340 -0.000 0.000 0.205 72 Q C 2.010 178.006 176.000 -0.007 0.000 0.970 72 Q CA 1.066 56.864 55.803 -0.008 0.000 0.876 72 Q CB -0.321 28.410 28.738 -0.012 0.000 0.935 72 Q HN 0.763 nan 8.270 nan 0.000 0.455 73 M N -0.283 119.318 119.600 0.001 0.000 2.123 73 M HA -0.122 4.358 4.480 -0.000 0.000 0.263 73 M C 2.204 178.505 176.300 0.001 0.000 1.069 73 M CA 1.240 56.542 55.300 0.004 0.000 1.133 73 M CB -0.200 32.408 32.600 0.013 0.000 1.356 73 M HN 0.141 nan 8.290 nan 0.000 0.415 74 V N -1.464 118.452 119.914 0.003 0.000 2.759 74 V HA -0.172 3.948 4.120 -0.000 0.000 0.256 74 V C 1.827 177.913 176.094 -0.013 0.000 1.080 74 V CA 1.584 63.885 62.300 0.002 0.000 1.101 74 V CB -0.737 31.090 31.823 0.007 0.000 0.698 74 V HN 0.394 nan 8.190 nan 0.000 0.477 75 K N 0.397 120.786 120.400 -0.018 0.000 2.062 75 K HA -0.132 4.188 4.320 -0.000 0.000 0.205 75 K C 2.284 178.855 176.600 -0.048 0.000 1.051 75 K CA 1.608 57.876 56.287 -0.031 0.000 0.941 75 K CB -0.238 32.245 32.500 -0.027 0.000 0.719 75 K HN 0.729 nan 8.250 nan 0.000 0.440 76 E N 1.038 121.214 120.200 -0.040 0.000 2.049 76 E HA -0.229 4.121 4.350 -0.000 0.000 0.198 76 E C 2.015 178.563 176.600 -0.087 0.000 1.007 76 E CA 2.133 58.502 56.400 -0.051 0.000 0.809 76 E CB -0.035 29.647 29.700 -0.030 0.000 0.749 76 E HN 0.190 nan 8.360 nan 0.000 0.450 77 V N -0.636 119.233 119.914 -0.074 0.000 2.283 77 V HA -0.055 4.065 4.120 -0.000 0.000 0.243 77 V C 2.461 178.427 176.094 -0.214 0.000 1.039 77 V CA 1.926 64.149 62.300 -0.128 0.000 1.016 77 V CB -1.181 30.644 31.823 0.003 0.000 0.650 77 V HN 0.345 nan 8.190 nan 0.000 0.449 78 A N 1.525 124.281 122.820 -0.106 0.000 1.997 78 A HA -0.237 4.083 4.320 -0.000 0.000 0.221 78 A C 2.552 180.048 177.584 -0.147 0.000 1.172 78 A CA 3.124 55.104 52.037 -0.095 0.000 0.645 78 A CB -1.195 17.779 19.000 -0.043 0.000 0.813 78 A HN 1.112 nan 8.150 nan 0.000 0.454 79 S N -0.482 115.125 115.700 -0.155 0.000 2.436 79 S HA -0.085 4.385 4.470 -0.000 0.000 0.228 79 S C 1.714 176.180 174.600 -0.223 0.000 1.014 79 S CA 1.084 59.195 58.200 -0.147 0.000 0.950 79 S CB -0.295 62.842 63.200 -0.106 0.000 0.784 79 S HN 0.625 nan 8.310 nan 0.000 0.504 80 K N 1.644 121.822 120.400 -0.370 0.000 2.211 80 K HA 0.004 4.324 4.320 -0.000 0.000 0.204 80 K C 2.350 178.608 176.600 -0.570 0.000 1.047 80 K CA 1.237 57.194 56.287 -0.552 0.000 0.935 80 K CB -0.465 31.461 32.500 -0.957 0.000 0.728 80 K HN 0.542 nan 8.250 nan 0.000 0.452 81 A N 1.215 123.741 122.820 -0.490 0.000 1.929 81 A HA -0.145 4.175 4.320 -0.000 0.000 0.216 81 A C 1.873 179.428 177.584 -0.048 0.000 1.176 81 A CA 1.510 53.486 52.037 -0.101 0.000 0.628 81 A CB -0.439 18.591 19.000 0.049 0.000 0.816 81 A HN 0.266 nan 8.150 nan 0.000 0.444 82 N N 0.101 118.745 118.700 -0.094 0.000 2.270 82 N HA -0.110 4.630 4.740 -0.000 0.000 0.181 82 N C 0.997 176.451 175.510 -0.093 0.000 1.016 82 N CA 1.347 54.347 53.050 -0.082 0.000 0.870 82 N CB -0.103 38.333 38.487 -0.086 0.000 0.979 82 N HN 0.335 nan 8.380 nan 0.000 0.431 83 D N -0.752 119.593 120.400 -0.093 0.000 2.312 83 D HA 0.018 4.658 4.640 -0.000 0.000 0.211 83 D C 1.334 177.617 176.300 -0.028 0.000 0.964 83 D CA 0.554 54.512 54.000 -0.070 0.000 0.877 83 D CB 0.097 40.855 40.800 -0.070 0.000 0.924 83 D HN 0.403 nan 8.370 nan 0.000 0.515 84 A N 0.304 123.124 122.820 -0.001 0.000 1.924 84 A HA 0.363 4.683 4.320 -0.000 0.000 0.211 84 A C 1.881 179.496 177.584 0.052 0.000 1.198 84 A CA 1.021 53.090 52.037 0.054 0.000 0.657 84 A CB 0.279 19.358 19.000 0.131 0.000 0.852 84 A HN 0.148 nan 8.150 nan 0.000 0.454 85 A N -1.925 120.914 122.820 0.031 0.000 2.571 85 A HA 0.477 4.797 4.320 -0.000 0.000 0.274 85 A C 1.468 179.042 177.584 -0.017 0.000 1.196 85 A CA 0.932 52.988 52.037 0.032 0.000 0.957 85 A CB -0.539 18.485 19.000 0.041 0.000 1.150 85 A HN 1.789 nan 8.150 nan 0.000 0.539 86 G N -0.401 108.333 108.800 -0.109 0.000 2.168 86 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.257 86 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.257 86 G C -0.128 174.685 174.900 -0.147 0.000 0.997 86 G CA 0.990 45.931 45.100 -0.264 0.000 0.708 86 G HN 1.048 nan 8.290 nan 0.000 0.520 87 D N -3.164 117.190 120.400 -0.076 0.000 2.807 87 D HA 0.567 5.207 4.640 -0.000 0.000 0.279 87 D C 0.461 176.749 176.300 -0.020 0.000 1.247 87 D CA 1.318 55.291 54.000 -0.046 0.000 0.749 87 D CB -0.073 40.710 40.800 -0.029 0.000 1.264 87 D HN 1.535 nan 8.370 nan 0.000 0.421 88 G N 0.147 108.939 108.800 -0.014 0.000 2.270 88 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.224 88 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.224 88 G C 0.655 175.555 174.900 -0.001 0.000 1.079 88 G CA 0.562 45.663 45.100 0.002 0.000 0.807 88 G HN 0.503 nan 8.290 nan 0.000 0.492 89 T N 0.087 114.631 114.554 -0.017 0.000 2.904 89 T HA 0.015 4.365 4.350 -0.000 0.000 0.243 89 T C 2.690 177.382 174.700 -0.013 0.000 1.024 89 T CA 1.978 64.064 62.100 -0.024 0.000 1.158 89 T CB -0.299 68.546 68.868 -0.039 0.000 0.867 89 T HN 0.414 nan 8.240 nan 0.000 0.429 90 T N 2.423 116.969 114.554 -0.012 0.000 2.699 90 T HA -0.168 4.182 4.350 -0.000 0.000 0.268 90 T C 2.128 176.829 174.700 0.000 0.000 1.036 90 T CA 1.904 64.000 62.100 -0.007 0.000 1.147 90 T CB -0.916 67.947 68.868 -0.008 0.000 0.862 90 T HN 0.419 nan 8.240 nan 0.000 0.446 91 T N 2.465 117.021 114.554 0.004 0.000 2.595 91 T HA -0.100 4.250 4.350 -0.000 0.000 0.264 91 T C 2.475 177.186 174.700 0.019 0.000 1.058 91 T CA 1.358 63.465 62.100 0.012 0.000 1.166 91 T CB -0.940 67.936 68.868 0.015 0.000 0.863 91 T HN 0.474 nan 8.240 nan 0.000 0.415 92 A N 1.322 124.158 122.820 0.027 0.000 1.997 92 A HA -0.219 4.101 4.320 -0.000 0.000 0.221 92 A C 2.525 180.126 177.584 0.029 0.000 1.172 92 A CA 2.417 54.479 52.037 0.041 0.000 0.645 92 A CB -1.450 17.584 19.000 0.057 0.000 0.813 92 A HN 0.547 nan 8.150 nan 0.000 0.454 93 T N -0.462 114.101 114.554 0.015 0.000 2.732 93 T HA -0.109 4.241 4.350 -0.000 0.000 0.261 93 T C 2.014 176.721 174.700 0.012 0.000 1.040 93 T CA 1.936 64.042 62.100 0.010 0.000 1.145 93 T CB -0.830 68.039 68.868 0.001 0.000 0.866 93 T HN 0.781 nan 8.240 nan 0.000 0.427 94 V N 0.650 120.570 119.914 0.010 0.000 2.688 94 V HA -0.047 4.073 4.120 -0.000 0.000 0.256 94 V C 2.071 178.172 176.094 0.013 0.000 1.084 94 V CA 1.469 63.774 62.300 0.010 0.000 1.103 94 V CB -1.029 30.799 31.823 0.008 0.000 0.688 94 V HN 0.448 nan 8.190 nan 0.000 0.480 95 L N 0.143 121.377 121.223 0.017 0.000 2.095 95 L HA 0.085 4.425 4.340 -0.000 0.000 0.204 95 L C 2.994 179.877 176.870 0.021 0.000 1.080 95 L CA 1.467 56.319 54.840 0.020 0.000 0.759 95 L CB -0.779 41.295 42.059 0.026 0.000 0.914 95 L HN 0.439 nan 8.230 nan 0.000 0.439 96 A N -0.606 122.228 122.820 0.024 0.000 1.930 96 A HA -0.265 4.055 4.320 -0.000 0.000 0.217 96 A C 2.206 179.801 177.584 0.018 0.000 1.175 96 A CA 1.640 53.691 52.037 0.024 0.000 0.627 96 A CB -0.499 18.517 19.000 0.027 0.000 0.815 96 A HN 0.491 nan 8.150 nan 0.000 0.443 97 Q N -0.352 119.456 119.800 0.014 0.000 2.050 97 Q HA -0.141 4.199 4.340 -0.000 0.000 0.202 97 Q C 2.203 178.209 176.000 0.011 0.000 0.980 97 Q CA 1.663 57.473 55.803 0.012 0.000 0.840 97 Q CB -0.369 28.375 28.738 0.009 0.000 0.898 97 Q HN 0.585 nan 8.270 nan 0.000 0.424 98 A N 1.218 124.045 122.820 0.011 0.000 1.851 98 A HA -0.214 4.106 4.320 -0.000 0.000 0.216 98 A C 2.046 179.636 177.584 0.011 0.000 1.195 98 A CA 1.697 53.740 52.037 0.010 0.000 0.622 98 A CB -0.943 18.064 19.000 0.011 0.000 0.831 98 A HN 0.506 nan 8.150 nan 0.000 0.444 99 I N -0.204 120.373 120.570 0.013 0.000 2.118 99 I HA -0.321 3.849 4.170 -0.000 0.000 0.241 99 I C 2.432 178.556 176.117 0.011 0.000 1.070 99 I CA 1.805 63.112 61.300 0.012 0.000 1.327 99 I CB -0.526 37.483 38.000 0.015 0.000 1.034 99 I HN 0.342 nan 8.210 nan 0.000 0.405 100 I N 0.316 120.893 120.570 0.013 0.000 2.163 100 I HA -0.303 3.867 4.170 -0.000 0.000 0.243 100 I C 2.611 178.733 176.117 0.009 0.000 1.085 100 I CA 1.695 63.002 61.300 0.012 0.000 1.347 100 I CB -0.740 37.268 38.000 0.013 0.000 1.044 100 I HN 0.313 nan 8.210 nan 0.000 0.408 101 T N 0.435 114.994 114.554 0.008 0.000 2.595 101 T HA -0.180 4.170 4.350 -0.000 0.000 0.264 101 T C 1.802 176.506 174.700 0.006 0.000 1.058 101 T CA 1.431 63.535 62.100 0.007 0.000 1.166 101 T CB -0.235 68.637 68.868 0.006 0.000 0.863 101 T HN 0.313 nan 8.240 nan 0.000 0.415 102 E N 0.666 120.870 120.200 0.006 0.000 2.153 102 E HA -0.035 4.315 4.350 -0.000 0.000 0.194 102 E C 2.470 179.073 176.600 0.006 0.000 0.988 102 E CA 0.987 57.391 56.400 0.005 0.000 0.811 102 E CB -0.814 28.889 29.700 0.006 0.000 0.746 102 E HN 0.582 nan 8.360 nan 0.000 0.466 103 G N 1.741 110.545 108.800 0.007 0.000 2.453 103 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.215 103 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.215 103 G C 1.704 176.607 174.900 0.006 0.000 1.201 103 G CA 0.600 45.704 45.100 0.007 0.000 0.784 103 G HN 0.193 nan 8.290 nan 0.000 0.545 104 L N 0.220 121.447 121.223 0.006 0.000 2.191 104 L HA -0.048 4.292 4.340 -0.000 0.000 0.212 104 L C 2.772 179.644 176.870 0.003 0.000 1.103 104 L CA 1.308 56.151 54.840 0.005 0.000 0.769 104 L CB -0.311 41.751 42.059 0.004 0.000 0.908 104 L HN 0.258 nan 8.230 nan 0.000 0.438 105 K N 0.561 120.964 120.400 0.004 0.000 2.057 105 K HA -0.141 4.179 4.320 -0.000 0.000 0.206 105 K C 2.172 178.773 176.600 0.003 0.000 1.050 105 K CA 1.269 57.558 56.287 0.003 0.000 0.935 105 K CB -0.063 32.439 32.500 0.003 0.000 0.715 105 K HN 0.250 nan 8.250 nan 0.000 0.439 106 A N 0.297 123.119 122.820 0.003 0.000 1.969 106 A HA -0.063 4.257 4.320 -0.000 0.000 0.218 106 A C 2.144 179.730 177.584 0.003 0.000 1.169 106 A CA 1.293 53.332 52.037 0.003 0.000 0.635 106 A CB -0.403 18.599 19.000 0.004 0.000 0.810 106 A HN 0.157 nan 8.150 nan 0.000 0.445 107 V N -0.120 119.797 119.914 0.004 0.000 2.307 107 V HA -0.228 3.892 4.120 -0.000 0.000 0.245 107 V C 3.047 179.143 176.094 0.003 0.000 1.045 107 V CA 1.843 64.146 62.300 0.004 0.000 1.024 107 V CB -1.249 30.578 31.823 0.006 0.000 0.651 107 V HN 0.586 nan 8.190 nan 0.000 0.449 108 A N 0.245 123.066 122.820 0.002 0.000 1.978 108 A HA -0.107 4.213 4.320 -0.000 0.000 0.220 108 A C 2.251 179.835 177.584 0.001 0.000 1.170 108 A CA 1.792 53.830 52.037 0.001 0.000 0.636 108 A CB -0.725 18.275 19.000 0.000 0.000 0.810 108 A HN 0.626 nan 8.150 nan 0.000 0.448 109 A N -1.698 121.123 122.820 0.001 0.000 2.277 109 A HA 0.341 4.661 4.320 -0.000 0.000 0.208 109 A C 1.960 179.545 177.584 0.001 0.000 1.202 109 A CA 1.358 53.396 52.037 0.001 0.000 0.762 109 A CB -1.223 17.777 19.000 0.001 0.000 0.770 109 A HN 1.933 nan 8.150 nan 0.000 0.487 110 G N -1.969 106.832 108.800 0.001 0.000 2.225 110 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.254 110 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.254 110 G C 0.400 175.301 174.900 0.002 0.000 0.988 110 G CA 0.436 45.537 45.100 0.001 0.000 0.625 110 G HN 0.451 nan 8.290 nan 0.000 0.527 111 M N 0.491 120.092 119.600 0.002 0.000 2.184 111 M HA 0.168 4.648 4.480 -0.000 0.000 0.296 111 M C 0.868 177.171 176.300 0.004 0.000 1.165 111 M CA -0.100 55.202 55.300 0.003 0.000 1.175 111 M CB 0.098 32.700 32.600 0.003 0.000 1.392 111 M HN 0.260 nan 8.290 nan 0.000 0.457 112 N N 1.145 119.847 118.700 0.004 0.000 2.514 112 N HA 0.182 4.922 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 -1.560 51.493 53.050 0.005 0.000 0.978 112 N CB 1.517 40.007 38.487 0.004 0.000 1.106 112 N HN 0.201 nan 8.380 nan 0.000 0.461 113 P HA 0.004 nan 4.420 nan 0.000 0.214 113 P C 1.649 178.954 177.300 0.009 0.000 1.162 113 P CA 1.153 64.259 63.100 0.009 0.000 0.874 113 P CB 0.216 31.923 31.700 0.012 0.000 0.784 114 M N -0.563 119.043 119.600 0.009 0.000 2.346 114 M HA -0.141 4.339 4.480 -0.000 0.000 0.263 114 M C 1.202 177.506 176.300 0.006 0.000 1.064 114 M CA 1.561 56.866 55.300 0.008 0.000 1.083 114 M CB -1.397 31.207 32.600 0.008 0.000 1.399 114 M HN 0.038 nan 8.290 nan 0.000 0.435 115 D N -0.214 120.189 120.400 0.006 0.000 2.197 115 D HA 0.055 4.695 4.640 -0.000 0.000 0.212 115 D C 2.243 178.546 176.300 0.004 0.000 0.963 115 D CA 0.562 54.565 54.000 0.004 0.000 0.864 115 D CB 0.148 40.950 40.800 0.004 0.000 1.009 115 D HN 0.295 nan 8.370 nan 0.000 0.479 116 L N 1.299 122.525 121.223 0.005 0.000 2.081 116 L HA -0.226 4.114 4.340 -0.000 0.000 0.212 116 L C 2.573 179.446 176.870 0.005 0.000 1.080 116 L CA 1.277 56.120 54.840 0.005 0.000 0.754 116 L CB -0.349 41.714 42.059 0.006 0.000 0.893 116 L HN 0.025 nan 8.230 nan 0.000 0.433 117 K N 0.510 120.914 120.400 0.006 0.000 1.965 117 K HA -0.254 4.066 4.320 -0.000 0.000 0.214 117 K C 2.299 178.902 176.600 0.004 0.000 1.046 117 K CA 1.647 57.938 56.287 0.006 0.000 0.944 117 K CB -0.169 32.336 32.500 0.007 0.000 0.726 117 K HN 0.031 nan 8.250 nan 0.000 0.441 118 R N -0.235 120.267 120.500 0.003 0.000 2.133 118 R HA -0.150 4.190 4.340 -0.000 0.000 0.247 118 R C 2.281 178.581 176.300 0.001 0.000 1.151 118 R CA 1.862 57.963 56.100 0.001 0.000 0.971 118 R CB -0.647 29.654 30.300 0.001 0.000 0.866 118 R HN 0.512 nan 8.270 nan 0.000 0.447 119 G N 0.193 108.994 108.800 0.002 0.000 2.432 119 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.219 119 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.219 119 G C 1.386 176.287 174.900 0.001 0.000 1.135 119 G CA 0.706 45.807 45.100 0.002 0.000 0.767 119 G HN 0.278 nan 8.290 nan 0.000 0.550 120 I N 0.737 121.308 120.570 0.002 0.000 2.277 120 I HA -0.067 4.103 4.170 -0.000 0.000 0.243 120 I C 2.095 178.211 176.117 -0.001 0.000 1.094 120 I CA 0.913 62.214 61.300 0.002 0.000 1.393 120 I CB -0.105 37.898 38.000 0.004 0.000 1.078 120 I HN 0.011 nan 8.210 nan 0.000 0.417 121 D N 0.881 121.280 120.400 -0.003 0.000 2.218 121 D HA -0.212 4.428 4.640 -0.000 0.000 0.204 121 D C 1.985 178.280 176.300 -0.008 0.000 0.976 121 D CA 1.136 55.132 54.000 -0.007 0.000 0.853 121 D CB -0.117 40.679 40.800 -0.007 0.000 0.939 121 D HN 0.317 nan 8.370 nan 0.000 0.481 122 K N 0.811 121.209 120.400 -0.005 0.000 2.007 122 K HA -0.017 4.303 4.320 -0.000 0.000 0.206 122 K C 2.078 178.676 176.600 -0.004 0.000 1.047 122 K CA 1.122 57.406 56.287 -0.004 0.000 0.937 122 K CB -0.087 32.412 32.500 -0.002 0.000 0.718 122 K HN -0.030 nan 8.250 nan 0.000 0.438 123 A N 0.664 123.483 122.820 -0.002 0.000 2.032 123 A HA -0.140 4.180 4.320 -0.000 0.000 0.221 123 A C 2.152 179.734 177.584 -0.002 0.000 1.165 123 A CA 1.844 53.880 52.037 -0.001 0.000 0.645 123 A CB -0.576 18.425 19.000 0.001 0.000 0.807 123 A HN 0.220 nan 8.150 nan 0.000 0.453 124 V N -1.720 118.190 119.914 -0.006 0.000 2.379 124 V HA -0.139 3.981 4.120 -0.000 0.000 0.243 124 V C 2.614 178.700 176.094 -0.014 0.000 1.035 124 V CA 2.138 64.432 62.300 -0.010 0.000 1.035 124 V CB -1.032 30.782 31.823 -0.015 0.000 0.673 124 V HN 0.542 nan 8.190 nan 0.000 0.457 125 T N 0.324 114.868 114.554 -0.015 0.000 2.721 125 T HA -0.261 4.089 4.350 -0.000 0.000 0.268 125 T C 1.902 176.595 174.700 -0.011 0.000 1.038 125 T CA 1.974 64.064 62.100 -0.016 0.000 1.145 125 T CB -0.273 68.587 68.868 -0.014 0.000 0.858 125 T HN 0.563 nan 8.240 nan 0.000 0.459 126 A N 0.885 123.701 122.820 -0.007 0.000 1.855 126 A HA 0.340 4.660 4.320 -0.000 0.000 0.213 126 A C 2.646 180.229 177.584 -0.002 0.000 1.195 126 A CA 1.577 53.612 52.037 -0.003 0.000 0.610 126 A CB -1.168 17.831 19.000 -0.001 0.000 0.837 126 A HN 0.502 nan 8.150 nan 0.000 0.444 127 A N -0.411 122.408 122.820 -0.002 0.000 1.986 127 A HA -0.056 4.264 4.320 -0.000 0.000 0.220 127 A C 2.171 179.754 177.584 -0.001 0.000 1.171 127 A CA 1.930 53.967 52.037 0.001 0.000 0.640 127 A CB -0.879 18.122 19.000 0.001 0.000 0.811 127 A HN 0.404 nan 8.150 nan 0.000 0.451 128 V N -0.050 119.860 119.914 -0.007 0.000 2.427 128 V HA -0.167 3.953 4.120 -0.000 0.000 0.248 128 V C 2.496 178.586 176.094 -0.006 0.000 1.051 128 V CA 1.972 64.266 62.300 -0.010 0.000 1.048 128 V CB -0.579 31.232 31.823 -0.020 0.000 0.666 128 V HN 0.515 nan 8.190 nan 0.000 0.456 129 E N -0.001 120.196 120.200 -0.004 0.000 2.107 129 E HA -0.186 4.164 4.350 -0.000 0.000 0.191 129 E C 2.147 178.749 176.600 0.002 0.000 0.982 129 E CA 0.830 57.229 56.400 -0.001 0.000 0.809 129 E CB -0.136 29.563 29.700 -0.002 0.000 0.756 129 E HN 0.584 nan 8.360 nan 0.000 0.459 130 E N 0.405 120.607 120.200 0.003 0.000 2.472 130 E HA -0.100 4.250 4.350 -0.000 0.000 0.200 130 E C 1.598 178.204 176.600 0.010 0.000 1.046 130 E CA 0.208 56.613 56.400 0.007 0.000 0.871 130 E CB -0.001 29.704 29.700 0.008 0.000 0.806 130 E HN 0.054 nan 8.360 nan 0.000 0.533 131 L N -0.282 120.945 121.223 0.007 0.000 2.357 131 L HA 0.167 4.507 4.340 -0.000 0.000 0.211 131 L C 1.614 178.489 176.870 0.009 0.000 1.075 131 L CA 0.963 55.809 54.840 0.009 0.000 0.830 131 L CB 0.083 42.146 42.059 0.007 0.000 0.996 131 L HN -0.102 nan 8.230 nan 0.000 0.467 132 K N -0.538 119.865 120.400 0.006 0.000 2.211 132 K HA -0.034 4.286 4.320 -0.000 0.000 0.203 132 K C 1.972 178.577 176.600 0.009 0.000 1.050 132 K CA 1.083 57.374 56.287 0.007 0.000 0.945 132 K CB -0.145 32.357 32.500 0.004 0.000 0.732 132 K HN 0.381 nan 8.250 nan 0.000 0.451 133 A N 1.235 124.061 122.820 0.009 0.000 1.929 133 A HA -0.063 4.257 4.320 -0.000 0.000 0.216 133 A C 1.993 179.586 177.584 0.014 0.000 1.176 133 A CA 0.792 52.835 52.037 0.011 0.000 0.628 133 A CB -0.374 18.632 19.000 0.010 0.000 0.816 133 A HN 0.238 nan 8.150 nan 0.000 0.444 134 L N -0.102 121.131 121.223 0.016 0.000 2.376 134 L HA 0.011 4.351 4.340 -0.000 0.000 0.219 134 L C 1.283 178.165 176.870 0.019 0.000 1.133 134 L CA 0.457 55.309 54.840 0.020 0.000 0.816 134 L CB -0.058 42.014 42.059 0.023 0.000 0.933 134 L HN 0.360 nan 8.230 nan 0.000 0.449 135 S N 0.201 115.911 115.700 0.016 0.000 2.506 135 S HA 0.080 4.550 4.470 -0.000 0.000 0.291 135 S C -0.029 174.580 174.600 0.014 0.000 1.230 135 S CA -0.573 57.636 58.200 0.015 0.000 1.107 135 S CB 0.198 63.405 63.200 0.013 0.000 0.942 135 S HN 0.071 nan 8.310 nan 0.000 0.502 136 V N 9.347 129.270 119.914 0.015 0.000 2.470 136 V HA 0.238 4.358 4.120 -0.000 0.000 0.276 136 V C -1.676 174.425 176.094 0.012 0.000 1.040 136 V CA -1.536 60.773 62.300 0.014 0.000 1.008 136 V CB 0.468 32.300 31.823 0.015 0.000 0.990 136 V HN 0.755 nan 8.190 nan 0.000 0.477 137 P HA 0.099 nan 4.420 nan 0.000 0.271 137 P C -0.438 176.868 177.300 0.010 0.000 1.233 137 P CA -0.144 62.962 63.100 0.010 0.000 0.795 137 P CB 0.339 32.044 31.700 0.009 0.000 0.936 138 C N 0.676 119.982 119.300 0.009 0.000 3.212 138 C HA 0.405 4.865 4.460 -0.000 0.000 0.367 138 C C 0.743 175.737 174.990 0.007 0.000 0.979 138 C CA 0.056 59.079 59.018 0.008 0.000 1.283 138 C CB -1.211 26.534 27.740 0.009 0.000 1.644 138 C HN 0.528 nan 8.230 nan 0.000 0.575 139 S N 1.371 117.075 115.700 0.006 0.000 2.741 139 S HA 0.153 4.623 4.470 -0.000 0.000 0.245 139 S C 0.204 174.807 174.600 0.004 0.000 1.083 139 S CA 0.173 58.376 58.200 0.005 0.000 0.873 139 S CB 0.086 63.289 63.200 0.005 0.000 0.814 139 S HN 0.944 nan 8.310 nan 0.000 0.476 140 D N 2.440 122.843 120.400 0.004 0.000 2.390 140 D HA 0.063 4.703 4.640 -0.000 0.000 0.249 140 D C 0.939 177.240 176.300 0.002 0.000 1.144 140 D CA 0.174 54.175 54.000 0.003 0.000 0.880 140 D CB 1.097 41.899 40.800 0.003 0.000 1.182 140 D HN 0.208 nan 8.370 nan 0.000 0.451 141 S N 1.554 117.255 115.700 0.001 0.000 2.571 141 S HA -0.257 4.213 4.470 -0.000 0.000 0.245 141 S C 1.394 175.994 174.600 0.000 0.000 0.976 141 S CA 0.839 59.039 58.200 0.000 0.000 0.954 141 S CB -0.357 62.843 63.200 -0.001 0.000 0.756 141 S HN 0.637 nan 8.310 nan 0.000 0.535 142 K N 0.758 121.158 120.400 0.001 0.000 2.243 142 K HA 0.217 4.537 4.320 -0.000 0.000 0.201 142 K C 2.070 178.671 176.600 0.002 0.000 1.051 142 K CA 0.794 57.082 56.287 0.001 0.000 0.970 142 K CB -0.371 32.131 32.500 0.002 0.000 0.755 142 K HN 0.451 nan 8.250 nan 0.000 0.465 143 A N 1.107 123.928 122.820 0.003 0.000 1.911 143 A HA 0.069 4.389 4.320 -0.000 0.000 0.212 143 A C 1.952 179.538 177.584 0.003 0.000 1.189 143 A CA 0.397 52.436 52.037 0.003 0.000 0.639 143 A CB -0.339 18.664 19.000 0.005 0.000 0.839 143 A HN 0.229 nan 8.150 nan 0.000 0.449 144 I N 0.318 120.889 120.570 0.002 0.000 2.091 144 I HA -0.358 3.812 4.170 -0.000 0.000 0.239 144 I C 2.923 179.041 176.117 0.001 0.000 1.061 144 I CA 1.433 62.734 61.300 0.001 0.000 1.317 144 I CB -0.388 37.612 38.000 -0.001 0.000 1.031 144 I HN 0.350 nan 8.210 nan 0.000 0.401 145 A N -0.283 122.537 122.820 -0.000 0.000 2.139 145 A HA -0.296 4.024 4.320 -0.000 0.000 0.221 145 A C 2.155 179.739 177.584 -0.000 0.000 1.159 145 A CA 2.180 54.217 52.037 -0.001 0.000 0.662 145 A CB -0.570 18.430 19.000 -0.001 0.000 0.796 145 A HN 0.563 nan 8.150 nan 0.000 0.463 146 Q N -0.891 118.909 119.800 0.001 0.000 2.226 146 Q HA 0.028 4.368 4.340 -0.000 0.000 0.199 146 Q C 1.752 177.753 176.000 0.001 0.000 0.945 146 Q CA 1.486 57.290 55.803 0.001 0.000 0.861 146 Q CB -0.176 28.563 28.738 0.002 0.000 0.953 146 Q HN 0.280 nan 8.270 nan 0.000 0.490 147 V N 0.347 120.262 119.914 0.003 0.000 2.307 147 V HA -0.123 3.997 4.120 -0.000 0.000 0.245 147 V C 2.233 178.330 176.094 0.005 0.000 1.045 147 V CA 1.861 64.164 62.300 0.005 0.000 1.024 147 V CB -1.266 30.562 31.823 0.007 0.000 0.651 147 V HN 0.604 nan 8.190 nan 0.000 0.449 148 G N -0.513 108.289 108.800 0.005 0.000 2.442 148 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.219 148 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.219 148 G C 1.681 176.583 174.900 0.003 0.000 1.141 148 G CA 1.702 46.804 45.100 0.005 0.000 0.763 148 G HN 0.473 nan 8.290 nan 0.000 0.554 149 T N 1.253 115.808 114.554 0.001 0.000 2.668 149 T HA -0.018 4.332 4.350 -0.000 0.000 0.262 149 T C 2.405 177.105 174.700 -0.001 0.000 1.045 149 T CA 0.971 63.070 62.100 -0.001 0.000 1.152 149 T CB -0.199 68.668 68.868 -0.002 0.000 0.864 149 T HN 0.257 nan 8.240 nan 0.000 0.419 150 I N 1.234 121.803 120.570 -0.002 0.000 2.335 150 I HA -0.117 4.053 4.170 -0.000 0.000 0.251 150 I C 1.369 177.484 176.117 -0.003 0.000 1.129 150 I CA 0.835 62.133 61.300 -0.004 0.000 1.402 150 I CB -0.312 37.685 38.000 -0.005 0.000 1.069 150 I HN 0.062 nan 8.210 nan 0.000 0.424 151 S N 1.279 116.980 115.700 0.002 0.000 3.324 151 S HA 0.496 4.966 4.470 -0.000 0.000 0.229 151 S C 0.468 175.072 174.600 0.006 0.000 1.417 151 S CA 0.258 58.462 58.200 0.006 0.000 1.211 151 S CB -0.120 63.089 63.200 0.014 0.000 1.157 151 S HN 0.474 nan 8.310 nan 0.000 0.491 152 A N 1.611 124.431 122.820 0.001 0.000 2.297 152 A HA 0.369 4.689 4.320 -0.000 0.000 0.230 152 A C 0.331 177.913 177.584 -0.003 0.000 2.091 152 A CA -0.870 51.167 52.037 0.001 0.000 1.861 152 A CB -0.971 18.031 19.000 0.003 0.000 0.755 152 A HN 0.344 nan 8.150 nan 0.000 0.905 153 N N 0.707 119.404 118.700 -0.006 0.000 2.666 153 N HA -0.219 4.521 4.740 -0.000 0.000 0.248 153 N C 0.423 175.927 175.510 -0.009 0.000 1.118 153 N CA 1.742 54.786 53.050 -0.009 0.000 0.722 153 N CB -0.994 37.487 38.487 -0.009 0.000 1.050 153 N HN 1.228 nan 8.380 nan 0.000 0.550 154 S N -1.840 113.855 115.700 -0.008 0.000 3.909 154 S HA -0.188 4.282 4.470 -0.000 0.000 0.326 154 S C -0.470 174.126 174.600 -0.006 0.000 1.083 154 S CA 0.541 58.737 58.200 -0.007 0.000 0.939 154 S CB -0.842 62.352 63.200 -0.010 0.000 0.886 154 S HN 0.594 nan 8.310 nan 0.000 0.496 155 D N 1.474 121.872 120.400 -0.004 0.000 2.468 155 D HA 0.196 4.836 4.640 -0.000 0.000 0.218 155 D C 1.156 177.454 176.300 -0.003 0.000 1.155 155 D CA -0.332 53.666 54.000 -0.004 0.000 0.924 155 D CB 0.415 41.213 40.800 -0.003 0.000 1.029 155 D HN 0.461 nan 8.370 nan 0.000 0.515 156 E N 1.233 121.431 120.200 -0.003 0.000 2.393 156 E HA -0.132 4.218 4.350 -0.000 0.000 0.201 156 E C 1.133 177.731 176.600 -0.003 0.000 1.025 156 E CA 0.874 57.272 56.400 -0.003 0.000 0.856 156 E CB 0.367 30.065 29.700 -0.003 0.000 0.771 156 E HN 0.500 nan 8.360 nan 0.000 0.526 157 T N 0.425 114.977 114.554 -0.003 0.000 2.732 157 T HA -0.103 4.247 4.350 -0.000 0.000 0.261 157 T C 2.163 176.861 174.700 -0.003 0.000 1.040 157 T CA 0.949 63.047 62.100 -0.003 0.000 1.145 157 T CB -0.237 68.629 68.868 -0.003 0.000 0.866 157 T HN -0.007 nan 8.240 nan 0.000 0.427 158 V N 1.792 121.704 119.914 -0.003 0.000 2.231 158 V HA -0.186 3.934 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 2.164 64.462 62.300 -0.003 0.000 1.015 158 V CB -1.571 30.252 31.823 -0.001 0.000 0.638 158 V HN 0.621 nan 8.190 nan 0.000 0.444 159 G N -0.444 108.355 108.800 -0.002 0.000 2.529 159 G HA2 -0.395 3.565 3.960 -0.000 0.000 0.219 159 G HA3 -0.395 3.565 3.960 -0.000 0.000 0.219 159 G C 1.645 176.543 174.900 -0.003 0.000 1.177 159 G CA 1.429 46.528 45.100 -0.002 0.000 0.773 159 G HN 0.520 nan 8.290 nan 0.000 0.573 160 K N -0.058 120.340 120.400 -0.003 0.000 2.032 160 K HA 0.019 4.339 4.320 -0.000 0.000 0.209 160 K C 2.541 179.138 176.600 -0.005 0.000 1.048 160 K CA 1.085 57.370 56.287 -0.004 0.000 0.927 160 K CB -0.346 32.152 32.500 -0.003 0.000 0.712 160 K HN 0.345 nan 8.250 nan 0.000 0.441 161 L N 1.116 122.335 121.223 -0.006 0.000 2.013 161 L HA -0.249 4.091 4.340 -0.000 0.000 0.212 161 L C 2.430 179.294 176.870 -0.010 0.000 1.073 161 L CA 1.444 56.280 54.840 -0.008 0.000 0.753 161 L CB -0.283 41.772 42.059 -0.008 0.000 0.890 161 L HN 0.333 nan 8.230 nan 0.000 0.432 162 I N -0.631 119.933 120.570 -0.010 0.000 2.127 162 I HA -0.349 3.821 4.170 -0.000 0.000 0.241 162 I C 2.785 178.895 176.117 -0.012 0.000 1.075 162 I CA 1.326 62.618 61.300 -0.013 0.000 1.334 162 I CB -0.594 37.399 38.000 -0.012 0.000 1.040 162 I HN 0.296 nan 8.210 nan 0.000 0.405 163 A N 0.691 123.506 122.820 -0.008 0.000 1.873 163 A HA -0.285 4.035 4.320 -0.000 0.000 0.218 163 A C 2.168 179.747 177.584 -0.007 0.000 1.193 163 A CA 2.156 54.189 52.037 -0.007 0.000 0.629 163 A CB -0.872 18.125 19.000 -0.005 0.000 0.826 163 A HN 0.510 nan 8.150 nan 0.000 0.447 164 E N -0.441 119.754 120.200 -0.007 0.000 2.171 164 E HA -0.171 4.179 4.350 -0.000 0.000 0.197 164 E C 2.221 178.816 176.600 -0.008 0.000 0.997 164 E CA 0.974 57.370 56.400 -0.007 0.000 0.810 164 E CB -0.295 29.401 29.700 -0.007 0.000 0.738 164 E HN 0.671 nan 8.360 nan 0.000 0.467 165 A N 1.195 124.008 122.820 -0.011 0.000 1.843 165 A HA -0.099 4.221 4.320 -0.000 0.000 0.213 165 A C 2.158 179.734 177.584 -0.013 0.000 1.202 165 A CA 0.908 52.937 52.037 -0.013 0.000 0.607 165 A CB -0.392 18.598 19.000 -0.017 0.000 0.847 165 A HN 0.090 nan 8.150 nan 0.000 0.445 166 M N -0.339 119.253 119.600 -0.013 0.000 2.260 166 M HA -0.199 4.281 4.480 -0.000 0.000 0.261 166 M C 1.701 177.996 176.300 -0.009 0.000 1.066 166 M CA 1.961 57.254 55.300 -0.012 0.000 1.082 166 M CB -0.601 31.992 32.600 -0.011 0.000 1.388 166 M HN 0.582 nan 8.290 nan 0.000 0.419 167 D N 0.489 120.884 120.400 -0.008 0.000 2.183 167 D HA -0.108 4.532 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 1.198 55.194 54.000 -0.006 0.000 0.842 167 D CB 0.200 40.997 40.800 -0.005 0.000 0.957 167 D HN 0.227 nan 8.370 nan 0.000 0.484 168 K N -0.648 119.748 120.400 -0.007 0.000 2.186 168 K HA 0.021 4.341 4.320 -0.000 0.000 0.202 168 K C 1.577 178.173 176.600 -0.007 0.000 1.052 168 K CA 1.078 57.361 56.287 -0.007 0.000 0.965 168 K CB 0.660 33.155 32.500 -0.007 0.000 0.746 168 K HN 0.204 nan 8.250 nan 0.000 0.457 169 V N -3.380 116.529 119.914 -0.008 0.000 3.477 169 V HA 0.394 4.514 4.120 -0.000 0.000 0.297 169 V C 0.457 176.547 176.094 -0.007 0.000 1.433 169 V CA -0.078 62.217 62.300 -0.008 0.000 1.052 169 V CB 0.057 31.873 31.823 -0.010 0.000 0.895 169 V HN 0.283 nan 8.190 nan 0.000 0.438 170 G N 1.308 110.104 108.800 -0.007 0.000 2.699 170 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.686 170 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.686 170 G C 0.018 174.914 174.900 -0.006 0.000 1.301 170 G CA -0.011 45.086 45.100 -0.005 0.000 0.816 170 G HN 0.281 nan 8.290 nan 0.000 0.595 171 K N 0.058 120.456 120.400 -0.004 0.000 2.209 171 K HA -0.066 4.254 4.320 -0.000 0.000 0.204 171 K C 1.664 178.260 176.600 -0.005 0.000 1.048 171 K CA 1.654 57.938 56.287 -0.005 0.000 0.940 171 K CB 0.026 32.525 32.500 -0.001 0.000 0.729 171 K HN 0.499 nan 8.250 nan 0.000 0.451 172 E N 0.327 120.525 120.200 -0.003 0.000 2.474 172 E HA 0.050 4.400 4.350 -0.000 0.000 0.195 172 E C 1.071 177.668 176.600 -0.006 0.000 1.039 172 E CA 0.045 56.444 56.400 -0.002 0.000 0.881 172 E CB 0.202 29.903 29.700 0.002 0.000 0.970 172 E HN 0.282 nan 8.360 nan 0.000 0.486 173 G N 1.163 109.957 108.800 -0.009 0.000 2.527 173 G HA2 0.208 4.168 3.960 -0.000 0.000 0.279 173 G HA3 0.208 4.168 3.960 -0.000 0.000 0.279 173 G C 0.019 174.908 174.900 -0.018 0.000 1.374 173 G CA -0.267 44.826 45.100 -0.011 0.000 1.053 173 G HN 0.027 nan 8.290 nan 0.000 0.539 174 V N -0.076 119.826 119.914 -0.021 0.000 2.407 174 V HA 0.488 4.608 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 -0.511 61.771 62.300 -0.030 0.000 0.842 174 V CB 1.170 32.978 31.823 -0.024 0.000 0.996 174 V HN 0.507 nan 8.190 nan 0.000 0.426 175 I N 3.456 123.996 120.570 -0.050 0.000 2.406 175 I HA 0.554 4.724 4.170 -0.000 0.000 0.290 175 I C 0.103 176.185 176.117 -0.058 0.000 0.999 175 I CA -0.121 61.149 61.300 -0.050 0.000 1.124 175 I CB 2.162 40.130 38.000 -0.054 0.000 1.289 175 I HN 0.549 nan 8.210 nan 0.000 0.441 176 T N 5.335 119.862 114.554 -0.045 0.000 2.855 176 T HA 0.566 4.916 4.350 -0.000 0.000 0.281 176 T C -0.344 174.336 174.700 -0.034 0.000 1.007 176 T CA -0.511 61.564 62.100 -0.042 0.000 1.009 176 T CB 2.280 71.128 68.868 -0.034 0.000 0.983 176 T HN 0.187 nan 8.240 nan 0.000 0.455 177 V N 3.229 123.125 119.914 -0.030 0.000 2.448 177 V HA 0.515 4.635 4.120 -0.000 0.000 0.295 177 V C -0.079 176.007 176.094 -0.014 0.000 1.025 177 V CA -0.709 61.579 62.300 -0.021 0.000 0.859 177 V CB 1.613 33.424 31.823 -0.019 0.000 0.988 177 V HN 0.875 nan 8.190 nan 0.000 0.431 178 E N 1.841 122.033 120.200 -0.012 0.000 2.428 178 E HA 0.449 4.799 4.350 -0.000 0.000 0.259 178 E C -1.446 175.150 176.600 -0.008 0.000 0.930 178 E CA -1.074 55.320 56.400 -0.010 0.000 0.823 178 E CB 1.530 31.223 29.700 -0.012 0.000 1.403 178 E HN 0.573 nan 8.360 nan 0.000 0.415 179 D N 0.514 120.910 120.400 -0.007 0.000 2.341 179 D HA 0.255 4.895 4.640 -0.000 0.000 0.245 179 D C -0.036 176.260 176.300 -0.006 0.000 1.106 179 D CA 0.081 54.077 54.000 -0.005 0.000 0.905 179 D CB 1.308 42.105 40.800 -0.005 0.000 1.202 179 D HN 0.466 nan 8.370 nan 0.000 0.426 180 G N -0.645 108.152 108.800 -0.005 0.000 2.504 180 G HA2 0.310 4.270 3.960 -0.000 0.000 0.288 180 G HA3 0.310 4.270 3.960 -0.000 0.000 0.288 180 G C 0.680 175.577 174.900 -0.006 0.000 1.182 180 G CA -0.495 44.602 45.100 -0.006 0.000 0.894 180 G HN 0.420 nan 8.290 nan 0.000 0.521 181 T N -2.311 112.240 114.554 -0.006 0.000 3.273 181 T HA 0.542 4.892 4.350 -0.000 0.000 0.254 181 T C 0.993 175.690 174.700 -0.005 0.000 1.002 181 T CA 0.517 62.614 62.100 -0.005 0.000 0.913 181 T CB -0.370 68.495 68.868 -0.006 0.000 1.056 181 T HN 1.912 nan 8.240 nan 0.000 0.576 182 G N 0.886 109.684 108.800 -0.004 0.000 2.278 182 G HA2 0.162 4.122 3.960 -0.000 0.000 0.265 182 G HA3 0.162 4.122 3.960 -0.000 0.000 0.265 182 G C -1.450 173.447 174.900 -0.004 0.000 1.329 182 G CA -0.625 44.473 45.100 -0.004 0.000 1.017 182 G HN 0.396 nan 8.290 nan 0.000 0.472 183 L N 0.876 122.097 121.223 -0.003 0.000 2.452 183 L HA 0.624 4.964 4.340 -0.000 0.000 0.267 183 L C 0.376 177.244 176.870 -0.003 0.000 1.188 183 L CA 0.710 55.548 54.840 -0.003 0.000 0.821 183 L CB 0.417 42.474 42.059 -0.003 0.000 1.102 183 L HN 1.029 nan 8.230 nan 0.000 0.470 184 Q N 2.081 121.879 119.800 -0.004 0.000 3.215 184 Q HA -0.091 4.249 4.340 -0.000 0.000 0.034 184 Q C -1.474 174.524 176.000 -0.004 0.000 1.698 184 Q CA 0.276 56.077 55.803 -0.004 0.000 0.248 184 Q CB -0.241 28.494 28.738 -0.004 0.000 0.583 184 Q HN 0.654 nan 8.270 nan 0.000 0.322 185 D N 2.545 122.942 120.400 -0.005 0.000 2.253 185 D HA 0.366 5.006 4.640 -0.000 0.000 0.249 185 D C -0.212 176.085 176.300 -0.006 0.000 1.049 185 D CA -0.178 53.819 54.000 -0.005 0.000 0.929 185 D CB 1.091 41.888 40.800 -0.006 0.000 1.176 185 D HN 0.320 nan 8.370 nan 0.000 0.437 186 E N 0.126 120.322 120.200 -0.007 0.000 2.288 186 E HA 0.593 4.943 4.350 -0.000 0.000 0.268 186 E C -1.138 175.457 176.600 -0.008 0.000 0.885 186 E CA -0.942 55.454 56.400 -0.007 0.000 0.767 186 E CB 2.705 32.401 29.700 -0.007 0.000 1.220 186 E HN 0.128 nan 8.360 nan 0.000 0.427 187 L N 2.434 123.652 121.223 -0.008 0.000 2.513 187 L HA 0.564 4.904 4.340 -0.000 0.000 0.261 187 L C -2.216 174.648 176.870 -0.009 0.000 0.945 187 L CA -0.224 54.611 54.840 -0.010 0.000 0.848 187 L CB 2.040 44.093 42.059 -0.010 0.000 1.334 187 L HN 0.693 nan 8.230 nan 0.000 0.407 188 D N 2.775 123.169 120.400 -0.010 0.000 2.783 188 D HA 0.297 4.937 4.640 -0.000 0.000 0.253 188 D C -1.612 174.682 176.300 -0.010 0.000 1.206 188 D CA -0.414 53.581 54.000 -0.009 0.000 0.740 188 D CB 1.492 42.287 40.800 -0.008 0.000 1.313 188 D HN 0.397 nan 8.370 nan 0.000 0.427 189 V N 0.119 120.028 119.914 -0.008 0.000 2.532 189 V HA 0.642 4.762 4.120 -0.000 0.000 0.295 189 V C 0.531 176.621 176.094 -0.007 0.000 1.041 189 V CA -0.636 61.660 62.300 -0.008 0.000 0.926 189 V CB 1.261 33.080 31.823 -0.007 0.000 0.992 189 V HN 0.627 nan 8.190 nan 0.000 0.457 190 V N 0.702 120.612 119.914 -0.006 0.000 2.962 190 V HA 0.641 4.761 4.120 -0.000 0.000 0.313 190 V C -0.305 175.788 176.094 -0.002 0.000 1.099 190 V CA -1.055 61.242 62.300 -0.005 0.000 0.971 190 V CB 2.092 33.910 31.823 -0.007 0.000 1.028 190 V HN 0.710 nan 8.190 nan 0.000 0.430 191 E N 2.291 122.491 120.200 0.000 0.000 2.463 191 E HA 0.453 4.803 4.350 -0.000 0.000 0.248 191 E C 0.347 176.952 176.600 0.008 0.000 1.106 191 E CA 0.901 57.304 56.400 0.005 0.000 0.946 191 E CB 0.536 30.239 29.700 0.005 0.000 0.971 191 E HN 1.108 nan 8.360 nan 0.000 0.478 192 G N 1.601 110.408 108.800 0.012 0.000 2.749 192 G HA2 0.727 4.687 3.960 -0.000 0.000 0.300 192 G HA3 0.727 4.687 3.960 -0.000 0.000 0.300 192 G C -1.001 173.917 174.900 0.031 0.000 1.352 192 G CA -0.588 44.522 45.100 0.018 0.000 0.789 192 G HN 0.396 nan 8.290 nan 0.000 0.509 193 M N -0.612 119.013 119.600 0.043 0.000 2.732 193 M HA 0.575 5.055 4.480 -0.000 0.000 0.272 193 M C -2.414 173.923 176.300 0.062 0.000 1.203 193 M CA -0.681 54.662 55.300 0.071 0.000 0.841 193 M CB 2.444 35.115 32.600 0.118 0.000 1.685 193 M HN 0.706 nan 8.290 nan 0.000 0.492 194 Q N 2.912 122.760 119.800 0.080 0.000 2.280 194 Q HA 0.533 4.873 4.340 -0.000 0.000 0.259 194 Q C -2.279 173.767 176.000 0.076 0.000 0.964 194 Q CA -0.636 55.155 55.803 -0.021 0.000 0.844 194 Q CB 1.649 30.347 28.738 -0.066 0.000 1.334 194 Q HN 0.589 nan 8.270 nan 0.000 0.423 195 F N 0.120 120.068 119.950 -0.003 0.000 2.575 195 F HA 0.584 5.111 4.527 -0.000 0.000 0.330 195 F C -0.154 175.645 175.800 -0.003 0.000 1.056 195 F CA -1.242 56.758 58.000 -0.001 0.000 0.964 195 F CB 0.905 39.906 39.000 0.001 0.000 1.258 195 F HN 0.293 nan 8.300 nan 0.000 0.484 196 D N 2.525 123.043 120.400 0.197 0.000 2.713 196 D HA 0.173 4.813 4.640 -0.000 0.000 0.229 196 D C -0.234 176.129 176.300 0.105 0.000 1.136 196 D CA 0.177 54.228 54.000 0.086 0.000 1.010 196 D CB -0.006 40.838 40.800 0.074 0.000 1.084 196 D HN 0.248 nan 8.370 nan 0.000 0.495 197 R N 0.225 120.770 120.500 0.076 0.000 2.628 197 R HA 0.560 4.900 4.340 -0.000 0.000 0.288 197 R C 0.325 176.592 176.300 -0.056 0.000 0.980 197 R CA -0.741 55.408 56.100 0.082 0.000 0.891 197 R CB 2.261 32.734 30.300 0.289 0.000 1.188 197 R HN 0.202 nan 8.270 nan 0.000 0.450 198 G N 0.995 109.729 108.800 -0.109 0.000 2.552 198 G HA2 0.431 4.391 3.960 -0.000 0.000 0.318 198 G HA3 0.431 4.391 3.960 -0.000 0.000 0.318 198 G C -0.681 174.105 174.900 -0.188 0.000 1.240 198 G CA -0.553 44.391 45.100 -0.261 0.000 1.002 198 G HN 0.456 nan 8.290 nan 0.000 0.493 199 Y N -1.202 119.103 120.300 0.009 0.000 2.578 199 Y HA 0.294 4.844 4.550 -0.000 0.000 0.339 199 Y C 1.148 177.091 175.900 0.071 0.000 1.231 199 Y CA -1.064 57.043 58.100 0.012 0.000 1.461 199 Y CB 0.441 38.944 38.460 0.072 0.000 1.323 199 Y HN 0.168 nan 8.280 nan 0.000 0.590 200 L N 2.200 123.583 121.223 0.268 0.000 2.675 200 L HA 0.117 4.457 4.340 -0.000 0.000 0.239 200 L C 0.437 177.558 176.870 0.419 0.000 1.151 200 L CA 0.728 55.729 54.840 0.269 0.000 0.905 200 L CB -0.589 41.586 42.059 0.194 0.000 1.057 200 L HN 0.852 nan 8.230 nan 0.000 0.435 201 S N -2.059 114.013 115.700 0.619 0.000 2.756 201 S HA 0.223 4.693 4.470 -0.000 0.000 0.295 201 S C -2.644 172.152 174.600 0.328 0.000 0.945 201 S CA -0.935 57.552 58.200 0.480 0.000 0.838 201 S CB 1.033 64.463 63.200 0.383 0.000 1.042 201 S HN -0.204 nan 8.310 nan 0.000 0.467 202 P HA 0.349 nan 4.420 nan 0.000 0.335 202 P C 0.323 177.460 177.300 -0.270 0.000 1.416 202 P CA 0.674 63.495 63.100 -0.465 0.000 0.828 202 P CB -0.018 31.384 31.700 -0.497 0.000 1.966 203 Y N -4.671 115.486 120.300 -0.239 0.000 2.742 203 Y HA -0.333 4.217 4.550 -0.000 0.000 0.485 203 Y C 1.985 177.754 175.900 -0.219 0.000 1.119 203 Y CA 1.688 59.639 58.100 -0.248 0.000 2.917 203 Y CB -3.035 35.220 38.460 -0.342 0.000 0.951 203 Y HN 0.089 nan 8.280 nan 0.000 0.562 204 F N 0.740 120.704 119.950 0.022 0.000 2.184 204 F HA -0.170 4.357 4.527 -0.000 0.000 0.301 204 F C 1.550 177.311 175.800 -0.064 0.000 1.076 204 F CA 1.356 59.348 58.000 -0.013 0.000 1.295 204 F CB -0.804 38.188 39.000 -0.013 0.000 1.026 204 F HN 0.009 nan 8.300 nan 0.000 0.494 205 I N 1.946 122.523 120.570 0.012 0.000 3.017 205 I HA -0.217 3.953 4.170 -0.000 0.000 0.310 205 I C 0.598 176.711 176.117 -0.006 0.000 1.220 205 I CA 0.818 62.081 61.300 -0.060 0.000 1.450 205 I CB -0.011 37.883 38.000 -0.178 0.000 1.317 205 I HN 0.259 nan 8.210 nan 0.000 0.570 206 N N 2.812 121.515 118.700 0.006 0.000 2.036 206 N HA 0.074 4.814 4.740 -0.000 0.000 0.228 206 N C -0.255 175.258 175.510 0.005 0.000 1.368 206 N CA -0.327 52.730 53.050 0.012 0.000 0.846 206 N CB 0.528 39.033 38.487 0.029 0.000 1.145 206 N HN 0.392 nan 8.380 nan 0.000 0.502 207 K N 1.328 121.728 120.400 0.000 0.000 3.206 207 K HA 0.296 4.616 4.320 -0.000 0.000 0.180 207 K C -2.074 174.524 176.600 -0.004 0.000 1.088 207 K CA -1.306 54.983 56.287 0.002 0.000 0.872 207 K CB 1.744 34.250 32.500 0.010 0.000 0.976 207 K HN 0.064 nan 8.250 nan 0.000 0.564 208 P HA -0.184 nan 4.420 nan 0.000 0.225 208 P C 0.419 177.711 177.300 -0.013 0.000 1.141 208 P CA 1.168 64.254 63.100 -0.023 0.000 0.774 208 P CB 0.486 32.168 31.700 -0.029 0.000 0.760 209 E N -0.169 120.028 120.200 -0.005 0.000 2.204 209 E HA -0.097 4.253 4.350 -0.000 0.000 0.195 209 E C 1.801 178.402 176.600 0.002 0.000 0.990 209 E CA 1.986 58.385 56.400 -0.002 0.000 0.821 209 E CB -0.880 28.821 29.700 0.002 0.000 0.750 209 E HN 0.467 nan 8.360 nan 0.000 0.477 210 T N -5.153 109.406 114.554 0.008 0.000 2.975 210 T HA 0.367 4.717 4.350 -0.000 0.000 0.261 210 T C 1.308 176.023 174.700 0.025 0.000 0.984 210 T CA 0.007 62.119 62.100 0.019 0.000 0.911 210 T CB 0.721 69.611 68.868 0.037 0.000 1.127 210 T HN 0.195 nan 8.240 nan 0.000 0.514 211 G N 1.375 110.183 108.800 0.014 0.000 2.289 211 G HA2 0.225 4.185 3.960 -0.000 0.000 0.280 211 G HA3 0.225 4.185 3.960 -0.000 0.000 0.280 211 G C 0.069 175.005 174.900 0.061 0.000 1.089 211 G CA -0.040 45.070 45.100 0.016 0.000 0.939 211 G HN 1.263 nan 8.290 nan 0.000 0.499 212 A N -1.401 121.446 122.820 0.045 0.000 2.569 212 A HA 0.963 5.283 4.320 -0.000 0.000 0.290 212 A C 0.102 177.713 177.584 0.045 0.000 1.136 212 A CA -0.097 51.990 52.037 0.084 0.000 0.710 212 A CB 1.692 20.744 19.000 0.087 0.000 1.303 212 A HN 1.254 nan 8.150 nan 0.000 0.413 213 V N 0.037 119.993 119.914 0.070 0.000 3.262 213 V HA 0.712 4.832 4.120 -0.000 0.000 0.313 213 V C 0.122 176.237 176.094 0.035 0.000 1.070 213 V CA -0.262 62.069 62.300 0.053 0.000 1.049 213 V CB 1.542 33.404 31.823 0.066 0.000 1.157 213 V HN 0.967 nan 8.190 nan 0.000 0.454 214 E N 0.772 120.988 120.200 0.027 0.000 2.647 214 E HA 0.451 4.801 4.350 -0.000 0.000 0.320 214 E C -2.169 174.438 176.600 0.012 0.000 0.951 214 E CA -0.443 55.965 56.400 0.013 0.000 0.809 214 E CB 1.227 30.934 29.700 0.012 0.000 1.295 214 E HN 0.579 nan 8.360 nan 0.000 0.407 215 L N 2.905 124.129 121.223 0.001 0.000 2.386 215 L HA 0.548 4.888 4.340 -0.000 0.000 0.271 215 L C -0.379 176.481 176.870 -0.017 0.000 0.993 215 L CA -0.935 53.904 54.840 -0.001 0.000 0.819 215 L CB 2.143 44.203 42.059 0.002 0.000 1.294 215 L HN 0.480 nan 8.230 nan 0.000 0.414 216 E N 1.096 121.282 120.200 -0.022 0.000 2.174 216 E HA 0.237 4.587 4.350 -0.000 0.000 0.282 216 E C -0.110 176.449 176.600 -0.067 0.000 0.992 216 E CA -0.390 55.988 56.400 -0.037 0.000 0.803 216 E CB 1.350 31.033 29.700 -0.028 0.000 1.090 216 E HN 0.625 nan 8.360 nan 0.000 0.396 217 S N 2.379 118.029 115.700 -0.084 0.000 3.491 217 S HA -0.138 4.332 4.470 -0.000 0.000 0.371 217 S C -2.000 172.466 174.600 -0.224 0.000 0.980 217 S CA 0.325 58.442 58.200 -0.139 0.000 1.204 217 S CB -1.317 61.801 63.200 -0.136 0.000 0.915 217 S HN 0.512 nan 8.310 nan 0.000 0.482 218 P HA 0.428 nan 4.420 nan 0.000 0.277 218 P C -0.105 177.051 177.300 -0.240 0.000 1.276 218 P CA -0.485 62.517 63.100 -0.163 0.000 0.788 218 P CB 0.491 32.168 31.700 -0.038 0.000 1.114 219 F N -0.704 119.253 119.950 0.013 0.000 2.458 219 F HA 0.467 4.994 4.527 -0.000 0.000 0.330 219 F C 0.629 176.438 175.800 0.015 0.000 1.082 219 F CA -0.612 57.396 58.000 0.013 0.000 0.995 219 F CB 0.984 39.992 39.000 0.012 0.000 1.170 219 F HN 0.025 nan 8.300 nan 0.000 0.478 220 I N 4.580 125.303 120.570 0.256 0.000 2.389 220 I HA 0.273 4.443 4.170 -0.000 0.000 0.288 220 I C -1.228 174.955 176.117 0.110 0.000 0.999 220 I CA -0.962 60.425 61.300 0.145 0.000 1.129 220 I CB 1.737 39.804 38.000 0.111 0.000 1.288 220 I HN 0.237 nan 8.210 nan 0.000 0.444 221 L N 8.271 129.539 121.223 0.075 0.000 2.255 221 L HA 0.456 4.796 4.340 -0.000 0.000 0.289 221 L C -0.835 176.051 176.870 0.027 0.000 1.046 221 L CA -0.041 54.822 54.840 0.038 0.000 0.816 221 L CB 0.615 42.689 42.059 0.024 0.000 1.197 221 L HN 0.473 nan 8.230 nan 0.000 0.427 222 L N 6.398 127.630 121.223 0.016 0.000 2.283 222 L HA 0.702 5.042 4.340 -0.000 0.000 0.281 222 L C -0.106 176.761 176.870 -0.006 0.000 1.033 222 L CA -0.414 54.427 54.840 0.001 0.000 0.848 222 L CB 0.943 42.999 42.059 -0.005 0.000 1.226 222 L HN 0.793 nan 8.230 nan 0.000 0.429 223 A N 1.946 124.762 122.820 -0.006 0.000 2.335 223 A HA 0.404 4.724 4.320 -0.000 0.000 0.304 223 A C -0.818 176.761 177.584 -0.008 0.000 1.118 223 A CA -0.591 51.442 52.037 -0.006 0.000 0.757 223 A CB 1.236 20.235 19.000 -0.001 0.000 1.188 223 A HN 0.636 nan 8.150 nan 0.000 0.460 224 D N 2.737 123.130 120.400 -0.011 0.000 2.453 224 D HA 0.464 5.104 4.640 -0.000 0.000 0.223 224 D C -0.081 176.217 176.300 -0.002 0.000 1.183 224 D CA 0.385 54.379 54.000 -0.011 0.000 0.933 224 D CB -0.417 40.373 40.800 -0.016 0.000 1.038 224 D HN 0.632 nan 8.370 nan 0.000 0.513 225 K N 0.642 121.044 120.400 0.004 0.000 3.076 225 K HA 0.200 4.520 4.320 -0.000 0.000 0.314 225 K C -1.225 175.384 176.600 0.015 0.000 1.113 225 K CA -1.159 55.134 56.287 0.009 0.000 0.860 225 K CB 0.367 32.871 32.500 0.007 0.000 1.435 225 K HN -0.046 nan 8.250 nan 0.000 0.374 226 K N 0.816 121.227 120.400 0.019 0.000 2.098 226 K HA 0.522 4.842 4.320 -0.000 0.000 0.257 226 K C -0.515 176.099 176.600 0.023 0.000 0.999 226 K CA -0.587 55.714 56.287 0.023 0.000 0.924 226 K CB 0.750 33.265 32.500 0.025 0.000 1.028 226 K HN 0.413 nan 8.250 nan 0.000 0.466 227 I N 1.394 121.981 120.570 0.028 0.000 2.497 227 I HA 0.073 4.243 4.170 -0.000 0.000 0.284 227 I C -0.133 176.004 176.117 0.034 0.000 1.060 227 I CA -0.115 61.202 61.300 0.028 0.000 1.071 227 I CB 2.046 40.063 38.000 0.029 0.000 1.216 227 I HN 0.589 nan 8.210 nan 0.000 0.442 228 S N 3.327 119.044 115.700 0.029 0.000 2.687 228 S HA 0.272 4.742 4.470 -0.000 0.000 0.247 228 S C 0.247 174.862 174.600 0.025 0.000 1.050 228 S CA -0.296 57.921 58.200 0.030 0.000 1.063 228 S CB 0.245 63.461 63.200 0.026 0.000 1.039 228 S HN 0.557 nan 8.310 nan 0.000 0.580 229 N N 1.675 120.388 118.700 0.021 0.000 2.483 229 N HA 0.361 5.101 4.740 -0.000 0.000 0.267 229 N C 0.304 175.825 175.510 0.017 0.000 0.998 229 N CA -0.209 52.852 53.050 0.017 0.000 0.918 229 N CB 1.761 40.256 38.487 0.013 0.000 1.215 229 N HN 0.118 nan 8.380 nan 0.000 0.500 230 I N 2.126 122.707 120.570 0.018 0.000 2.423 230 I HA -0.226 3.944 4.170 -0.000 0.000 0.254 230 I C 2.280 178.404 176.117 0.012 0.000 1.151 230 I CA 1.182 62.492 61.300 0.018 0.000 1.421 230 I CB 0.192 38.203 38.000 0.018 0.000 1.079 230 I HN 0.454 nan 8.210 nan 0.000 0.431 231 R N 1.119 121.624 120.500 0.009 0.000 2.316 231 R HA -0.194 4.146 4.340 -0.000 0.000 0.232 231 R C 1.346 177.648 176.300 0.004 0.000 1.137 231 R CA 1.612 57.715 56.100 0.005 0.000 1.012 231 R CB -0.116 30.186 30.300 0.004 0.000 0.859 231 R HN 0.567 nan 8.270 nan 0.000 0.474 232 E N -0.999 119.205 120.200 0.005 0.000 2.476 232 E HA 0.016 4.366 4.350 -0.000 0.000 0.199 232 E C 1.334 177.934 176.600 0.001 0.000 1.021 232 E CA -0.030 56.371 56.400 0.003 0.000 0.907 232 E CB 0.415 30.118 29.700 0.005 0.000 0.974 232 E HN 0.282 nan 8.360 nan 0.000 0.489 233 M N 0.093 119.695 119.600 0.004 0.000 2.552 233 M HA 0.091 4.571 4.480 -0.000 0.000 0.264 233 M C 2.149 178.448 176.300 -0.002 0.000 1.159 233 M CA 0.670 55.972 55.300 0.003 0.000 1.176 233 M CB -0.572 32.036 32.600 0.013 0.000 1.327 233 M HN 0.128 nan 8.290 nan 0.000 0.481 234 L N 1.120 122.343 121.223 -0.000 0.000 2.040 234 L HA -0.275 4.065 4.340 -0.000 0.000 0.228 234 L C -0.168 176.696 176.870 -0.010 0.000 1.092 234 L CA 2.126 56.964 54.840 -0.003 0.000 0.805 234 L CB -2.805 39.253 42.059 -0.002 0.000 0.905 234 L HN 0.187 nan 8.230 nan 0.000 0.443 235 P HA -0.149 nan 4.420 nan 0.000 0.214 235 P C 1.252 178.534 177.300 -0.031 0.000 1.163 235 P CA 1.773 64.861 63.100 -0.020 0.000 0.889 235 P CB -0.045 31.643 31.700 -0.019 0.000 0.790 236 V N -0.120 119.773 119.914 -0.035 0.000 3.110 236 V HA 0.175 4.295 4.120 -0.000 0.000 0.368 236 V C 1.840 177.903 176.094 -0.052 0.000 1.332 236 V CA 0.248 62.513 62.300 -0.057 0.000 1.287 236 V CB -0.320 31.464 31.823 -0.065 0.000 1.277 236 V HN 0.055 nan 8.190 nan 0.000 0.502 237 L N -1.133 120.073 121.223 -0.030 0.000 2.713 237 L HA 0.318 4.658 4.340 -0.000 0.000 0.223 237 L C 2.119 178.987 176.870 -0.005 0.000 1.040 237 L CA 0.652 55.485 54.840 -0.011 0.000 0.894 237 L CB 0.700 42.763 42.059 0.006 0.000 1.361 237 L HN 0.195 nan 8.230 nan 0.000 0.490 238 E N 0.556 120.751 120.200 -0.007 0.000 2.285 238 E HA -0.047 4.303 4.350 -0.000 0.000 0.194 238 E C 1.778 178.373 176.600 -0.007 0.000 0.997 238 E CA 0.791 57.191 56.400 -0.001 0.000 0.845 238 E CB 0.081 29.780 29.700 -0.002 0.000 0.782 238 E HN 0.543 nan 8.360 nan 0.000 0.491 239 A N 0.724 123.528 122.820 -0.026 0.000 2.239 239 A HA -0.005 4.315 4.320 -0.000 0.000 0.209 239 A C 1.958 179.513 177.584 -0.049 0.000 1.171 239 A CA 0.544 52.557 52.037 -0.040 0.000 0.768 239 A CB 0.160 19.121 19.000 -0.065 0.000 0.790 239 A HN 0.090 nan 8.150 nan 0.000 0.478 240 V N -1.583 118.314 119.914 -0.028 0.000 3.661 240 V HA 0.105 4.225 4.120 -0.000 0.000 0.271 240 V C 2.482 178.615 176.094 0.065 0.000 1.315 240 V CA 0.852 63.158 62.300 0.011 0.000 1.072 240 V CB 0.042 31.869 31.823 0.008 0.000 0.830 240 V HN 0.505 nan 8.190 nan 0.000 0.443 241 A N -0.034 122.809 122.820 0.040 0.000 2.014 241 A HA -0.020 4.300 4.320 -0.000 0.000 0.218 241 A C 1.357 178.970 177.584 0.047 0.000 1.163 241 A CA 0.907 52.970 52.037 0.043 0.000 0.652 241 A CB -0.131 18.886 19.000 0.028 0.000 0.808 241 A HN 0.487 nan 8.150 nan 0.000 0.449 242 K N -1.899 118.526 120.400 0.043 0.000 2.168 242 K HA 0.442 4.762 4.320 -0.000 0.000 0.258 242 K C 0.998 177.646 176.600 0.080 0.000 1.010 242 K CA 0.324 56.638 56.287 0.046 0.000 0.929 242 K CB 0.547 33.065 32.500 0.030 0.000 0.998 242 K HN 0.594 nan 8.250 nan 0.000 0.479 243 A N 1.243 124.111 122.820 0.079 0.000 4.159 243 A HA -0.254 4.066 4.320 -0.000 0.000 0.263 243 A C 1.441 179.081 177.584 0.094 0.000 0.889 243 A CA 1.900 54.000 52.037 0.105 0.000 1.227 243 A CB -2.426 16.690 19.000 0.193 0.000 1.051 243 A HN 1.384 nan 8.150 nan 0.000 0.820 244 G N -1.208 107.645 108.800 0.087 0.000 2.216 244 G HA2 -0.402 3.558 3.960 -0.000 0.000 0.269 244 G HA3 -0.402 3.558 3.960 -0.000 0.000 0.269 244 G C 0.165 175.111 174.900 0.077 0.000 0.981 244 G CA 1.520 46.662 45.100 0.070 0.000 0.658 244 G HN 1.247 nan 8.290 nan 0.000 0.539 245 K N 2.145 122.612 120.400 0.112 0.000 2.402 245 K HA 0.235 4.555 4.320 -0.000 0.000 0.285 245 K C -1.781 174.898 176.600 0.133 0.000 1.054 245 K CA -0.990 55.334 56.287 0.062 0.000 1.001 245 K CB 0.719 33.184 32.500 -0.058 0.000 0.946 245 K HN 0.253 nan 8.250 nan 0.000 0.473 246 P HA -0.086 nan 4.420 nan 0.000 0.269 246 P C -0.791 176.590 177.300 0.136 0.000 1.211 246 P CA -0.259 62.894 63.100 0.088 0.000 0.781 246 P CB 0.571 32.299 31.700 0.047 0.000 0.877 247 L N 2.320 123.622 121.223 0.132 0.000 2.386 247 L HA 0.566 4.906 4.340 -0.000 0.000 0.271 247 L C -1.346 175.574 176.870 0.084 0.000 0.993 247 L CA -1.018 53.913 54.840 0.151 0.000 0.819 247 L CB 1.580 43.724 42.059 0.143 0.000 1.294 247 L HN 0.179 nan 8.230 nan 0.000 0.414 248 L N 5.895 127.168 121.223 0.084 0.000 2.305 248 L HA 0.627 4.967 4.340 -0.000 0.000 0.284 248 L C -1.163 175.735 176.870 0.047 0.000 1.013 248 L CA -0.218 54.646 54.840 0.040 0.000 0.819 248 L CB 1.199 43.287 42.059 0.048 0.000 1.227 248 L HN 0.438 nan 8.230 nan 0.000 0.417 249 I N 6.787 127.367 120.570 0.017 0.000 2.321 249 I HA 0.352 4.522 4.170 -0.000 0.000 0.291 249 I C -0.199 175.935 176.117 0.028 0.000 0.998 249 I CA -0.311 61.004 61.300 0.024 0.000 1.227 249 I CB 1.242 39.253 38.000 0.018 0.000 1.368 249 I HN 0.551 nan 8.210 nan 0.000 0.466 250 I N 5.627 126.217 120.570 0.034 0.000 2.382 250 I HA 0.620 4.790 4.170 -0.000 0.000 0.285 250 I C 0.026 176.148 176.117 0.008 0.000 1.007 250 I CA -0.220 61.099 61.300 0.031 0.000 1.142 250 I CB 1.683 39.699 38.000 0.028 0.000 1.289 250 I HN 0.727 nan 8.210 nan 0.000 0.453 251 A N 4.516 127.343 122.820 0.012 0.000 2.569 251 A HA 0.399 4.719 4.320 -0.000 0.000 0.290 251 A C 0.707 178.298 177.584 0.012 0.000 1.136 251 A CA -0.565 51.476 52.037 0.008 0.000 0.710 251 A CB 1.458 20.468 19.000 0.016 0.000 1.303 251 A HN 0.747 nan 8.150 nan 0.000 0.413 252 E N -0.486 119.721 120.200 0.012 0.000 2.219 252 E HA -0.162 4.188 4.350 -0.000 0.000 0.198 252 E C -0.276 176.343 176.600 0.032 0.000 0.998 252 E CA 1.806 58.218 56.400 0.021 0.000 0.818 252 E CB 0.102 29.816 29.700 0.024 0.000 0.741 252 E HN 0.605 nan 8.360 nan 0.000 0.477 253 D N -2.297 118.123 120.400 0.033 0.000 3.020 253 D HA 0.055 4.695 4.640 -0.000 0.000 0.268 253 D C -1.995 174.332 176.300 0.045 0.000 1.078 253 D CA -0.405 53.621 54.000 0.042 0.000 0.725 253 D CB 1.126 41.951 40.800 0.042 0.000 1.639 253 D HN -0.121 nan 8.370 nan 0.000 0.455 254 V N 2.489 122.437 119.914 0.057 0.000 2.487 254 V HA 0.600 4.720 4.120 -0.000 0.000 0.298 254 V C -0.231 175.905 176.094 0.070 0.000 1.028 254 V CA -0.498 61.841 62.300 0.065 0.000 0.860 254 V CB 1.672 33.544 31.823 0.082 0.000 0.991 254 V HN 0.442 nan 8.190 nan 0.000 0.427 255 E N 2.378 122.613 120.200 0.058 0.000 2.312 255 E HA 0.634 4.984 4.350 -0.000 0.000 0.267 255 E C 0.870 177.498 176.600 0.048 0.000 0.894 255 E CA -0.161 56.271 56.400 0.053 0.000 0.773 255 E CB 2.244 31.969 29.700 0.041 0.000 1.241 255 E HN 0.808 nan 8.360 nan 0.000 0.432 256 G N 2.432 111.259 108.800 0.045 0.000 2.684 256 G HA2 -0.493 3.467 3.960 -0.000 0.000 0.358 256 G HA3 -0.493 3.467 3.960 -0.000 0.000 0.358 256 G C 1.215 176.132 174.900 0.029 0.000 1.164 256 G CA 1.082 46.203 45.100 0.034 0.000 0.935 256 G HN 0.704 nan 8.290 nan 0.000 0.574 257 E N 1.369 121.582 120.200 0.022 0.000 2.048 257 E HA -0.229 4.121 4.350 -0.000 0.000 0.202 257 E C 2.977 179.591 176.600 0.023 0.000 1.021 257 E CA 2.709 59.119 56.400 0.017 0.000 0.825 257 E CB -0.744 28.964 29.700 0.014 0.000 0.756 257 E HN 0.837 nan 8.360 nan 0.000 0.454 258 A N 1.288 124.128 122.820 0.033 0.000 1.845 258 A HA -0.189 4.131 4.320 -0.000 0.000 0.215 258 A C 2.318 179.940 177.584 0.064 0.000 1.195 258 A CA 1.741 53.804 52.037 0.044 0.000 0.616 258 A CB -0.971 18.057 19.000 0.046 0.000 0.832 258 A HN 0.365 nan 8.150 nan 0.000 0.443 259 L N -0.071 121.199 121.223 0.077 0.000 1.971 259 L HA -0.150 4.190 4.340 -0.000 0.000 0.215 259 L C 2.694 179.609 176.870 0.076 0.000 1.072 259 L CA 2.677 57.586 54.840 0.114 0.000 0.758 259 L CB -1.042 41.088 42.059 0.118 0.000 0.889 259 L HN 0.383 nan 8.230 nan 0.000 0.433 260 A N -1.453 121.386 122.820 0.033 0.000 1.873 260 A HA -0.276 4.044 4.320 -0.000 0.000 0.218 260 A C 2.279 179.841 177.584 -0.036 0.000 1.193 260 A CA 2.729 54.755 52.037 -0.018 0.000 0.629 260 A CB -1.496 17.493 19.000 -0.019 0.000 0.826 260 A HN 0.574 nan 8.150 nan 0.000 0.447 261 T N 0.419 114.967 114.554 -0.009 0.000 2.760 261 T HA -0.160 4.190 4.350 -0.000 0.000 0.269 261 T C 1.706 176.402 174.700 -0.006 0.000 1.047 261 T CA 1.669 63.763 62.100 -0.010 0.000 1.139 261 T CB -0.399 68.474 68.868 0.008 0.000 0.855 261 T HN 0.401 nan 8.240 nan 0.000 0.471 262 L N 0.279 121.519 121.223 0.029 0.000 2.127 262 L HA 0.027 4.367 4.340 -0.000 0.000 0.203 262 L C 2.599 179.442 176.870 -0.044 0.000 1.080 262 L CA 0.568 55.451 54.840 0.070 0.000 0.768 262 L CB -0.601 41.586 42.059 0.214 0.000 0.924 262 L HN 0.108 nan 8.230 nan 0.000 0.444 263 V N -0.422 119.395 119.914 -0.160 0.000 2.568 263 V HA -0.230 3.890 4.120 -0.000 0.000 0.253 263 V C 2.372 178.260 176.094 -0.343 0.000 1.072 263 V CA 1.163 63.209 62.300 -0.423 0.000 1.084 263 V CB -0.446 31.147 31.823 -0.384 0.000 0.676 263 V HN 0.185 nan 8.190 nan 0.000 0.469 264 V N 0.621 120.407 119.914 -0.212 0.000 2.231 264 V HA -0.245 3.875 4.120 -0.000 0.000 0.240 264 V C 2.127 178.144 176.094 -0.129 0.000 1.039 264 V CA 2.451 64.644 62.300 -0.177 0.000 0.998 264 V CB -0.854 30.900 31.823 -0.114 0.000 0.639 264 V HN 0.597 nan 8.190 nan 0.000 0.451 265 N N 0.409 119.065 118.700 -0.073 0.000 2.247 265 N HA -0.234 4.506 4.740 -0.000 0.000 0.189 265 N C 1.741 177.234 175.510 -0.029 0.000 1.009 265 N CA 1.801 54.830 53.050 -0.035 0.000 0.872 265 N CB -0.243 38.245 38.487 0.001 0.000 0.980 265 N HN 0.736 nan 8.380 nan 0.000 0.436 266 T N -1.229 113.295 114.554 -0.050 0.000 2.881 266 T HA -0.072 4.278 4.350 -0.000 0.000 0.270 266 T C 1.718 176.397 174.700 -0.035 0.000 1.068 266 T CA 0.936 63.022 62.100 -0.023 0.000 1.131 266 T CB -0.060 68.777 68.868 -0.052 0.000 0.871 266 T HN 0.055 nan 8.240 nan 0.000 0.479 267 M N 0.393 119.949 119.600 -0.073 0.000 2.394 267 M HA 0.329 4.809 4.480 -0.000 0.000 0.266 267 M C 2.068 178.344 176.300 -0.040 0.000 1.098 267 M CA 0.800 56.067 55.300 -0.056 0.000 1.149 267 M CB -0.085 32.463 32.600 -0.087 0.000 1.369 267 M HN 0.027 nan 8.290 nan 0.000 0.450 268 R N 0.106 120.580 120.500 -0.045 0.000 2.346 268 R HA 0.217 4.557 4.340 -0.000 0.000 0.225 268 R C 1.222 177.513 176.300 -0.015 0.000 0.987 268 R CA 0.499 56.580 56.100 -0.031 0.000 1.106 268 R CB -0.619 29.660 30.300 -0.035 0.000 1.090 268 R HN 0.571 nan 8.270 nan 0.000 0.502 269 G N 1.741 110.536 108.800 -0.008 0.000 2.335 269 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.264 269 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.264 269 G C 0.538 175.445 174.900 0.012 0.000 0.990 269 G CA 0.567 45.670 45.100 0.005 0.000 0.647 269 G HN 0.435 nan 8.290 nan 0.000 0.561 270 I N 1.578 122.153 120.570 0.007 0.000 2.624 270 I HA 0.290 4.460 4.170 -0.000 0.000 0.307 270 I C 0.588 176.720 176.117 0.026 0.000 1.191 270 I CA 0.153 61.460 61.300 0.013 0.000 1.708 270 I CB -0.505 37.499 38.000 0.006 0.000 1.521 270 I HN 0.137 nan 8.210 nan 0.000 0.805 271 V N 4.518 124.453 119.914 0.035 0.000 3.379 271 V HA -0.208 3.912 4.120 -0.000 0.000 0.484 271 V C 0.138 176.273 176.094 0.069 0.000 0.682 271 V CA -0.179 62.153 62.300 0.052 0.000 2.029 271 V CB -0.767 31.089 31.823 0.054 0.000 2.475 271 V HN 0.943 nan 8.190 nan 0.000 0.502 272 K N 4.057 124.504 120.400 0.078 0.000 2.300 272 K HA 0.735 5.055 4.320 -0.000 0.000 0.264 272 K C -0.562 176.111 176.600 0.122 0.000 1.083 272 K CA -0.620 55.729 56.287 0.102 0.000 0.958 272 K CB 1.931 34.479 32.500 0.081 0.000 1.318 272 K HN 1.045 nan 8.250 nan 0.000 0.448 273 V N -0.893 119.121 119.914 0.167 0.000 2.823 273 V HA 0.930 5.050 4.120 -0.000 0.000 0.312 273 V C -0.686 175.486 176.094 0.131 0.000 1.072 273 V CA -0.977 61.404 62.300 0.135 0.000 0.937 273 V CB 1.530 33.425 31.823 0.121 0.000 1.013 273 V HN 0.797 nan 8.190 nan 0.000 0.430 274 A N 2.554 125.304 122.820 -0.117 0.000 2.414 274 A HA 1.061 5.381 4.320 -0.000 0.000 0.306 274 A C -0.252 177.071 177.584 -0.436 0.000 1.054 274 A CA -0.220 51.434 52.037 -0.638 0.000 0.724 274 A CB 1.789 20.515 19.000 -0.456 0.000 1.267 274 A HN 2.387 nan 8.150 nan 0.000 0.418 275 A N 0.740 123.219 122.820 -0.567 0.000 2.498 275 A HA 0.884 5.204 4.320 -0.000 0.000 0.298 275 A C -0.489 177.012 177.584 -0.137 0.000 1.075 275 A CA -0.074 51.838 52.037 -0.208 0.000 0.714 275 A CB 1.453 20.401 19.000 -0.086 0.000 1.299 275 A HN 2.308 nan 8.150 nan 0.000 0.407 276 V N -1.491 118.415 119.914 -0.014 0.000 3.159 276 V HA 0.622 4.742 4.120 -0.000 0.000 0.308 276 V C -0.443 175.700 176.094 0.082 0.000 1.190 276 V CA -1.285 61.043 62.300 0.047 0.000 1.037 276 V CB 1.504 33.374 31.823 0.079 0.000 1.060 276 V HN 0.880 nan 8.190 nan 0.000 0.437 277 K N 1.482 121.934 120.400 0.087 0.000 2.382 277 K HA 0.601 4.921 4.320 -0.000 0.000 0.275 277 K C 0.535 177.178 176.600 0.071 0.000 1.009 277 K CA 0.397 56.728 56.287 0.072 0.000 0.970 277 K CB 1.228 33.768 32.500 0.066 0.000 0.934 277 K HN 1.121 nan 8.250 nan 0.000 0.479 278 A N 4.717 127.542 122.820 0.008 0.000 2.448 278 A HA 0.180 4.500 4.320 -0.000 0.000 0.239 278 A C -2.076 175.458 177.584 -0.082 0.000 1.080 278 A CA -0.879 51.105 52.037 -0.089 0.000 0.779 278 A CB -0.341 18.612 19.000 -0.080 0.000 1.026 278 A HN 0.493 nan 8.150 nan 0.000 0.499 279 P HA 0.420 nan 4.420 nan 0.000 0.278 279 P C 0.689 177.980 177.300 -0.015 0.000 1.238 279 P CA 1.286 64.326 63.100 -0.101 0.000 0.794 279 P CB 0.897 32.439 31.700 -0.263 0.000 0.955 280 G N 2.403 111.250 108.800 0.078 0.000 2.601 280 G HA2 -0.111 3.849 3.960 -0.000 0.000 0.252 280 G HA3 -0.111 3.849 3.960 -0.000 0.000 0.252 280 G C -0.727 174.332 174.900 0.265 0.000 1.294 280 G CA 0.338 45.537 45.100 0.165 0.000 0.912 280 G HN 0.793 nan 8.290 nan 0.000 0.574 281 F N -2.663 117.287 119.950 0.001 0.000 2.741 281 F HA 0.767 5.294 4.527 -0.000 0.000 0.313 281 F C 0.820 176.624 175.800 0.006 0.000 1.153 281 F CA 0.499 58.501 58.000 0.003 0.000 0.931 281 F CB 0.883 39.891 39.000 0.013 0.000 1.335 281 F HN 2.567 nan 8.300 nan 0.000 0.460 282 G N 1.437 110.138 108.800 -0.164 0.000 2.539 282 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.256 282 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.256 282 G C 0.046 174.835 174.900 -0.185 0.000 1.233 282 G CA 0.398 45.328 45.100 -0.283 0.000 0.936 282 G HN 0.917 nan 8.290 nan 0.000 0.571 283 D N 0.348 120.635 120.400 -0.187 0.000 2.224 283 D HA -0.013 4.627 4.640 -0.000 0.000 0.205 283 D C 2.570 178.793 176.300 -0.128 0.000 0.965 283 D CA 1.039 54.966 54.000 -0.121 0.000 0.852 283 D CB -0.125 40.617 40.800 -0.097 0.000 0.947 283 D HN 0.477 nan 8.370 nan 0.000 0.494 284 R N 0.697 121.090 120.500 -0.178 0.000 2.081 284 R HA -0.055 4.285 4.340 -0.000 0.000 0.235 284 R C 2.387 178.616 176.300 -0.117 0.000 1.131 284 R CA 0.694 56.706 56.100 -0.147 0.000 0.960 284 R CB -0.166 30.030 30.300 -0.172 0.000 0.856 284 R HN 0.102 nan 8.270 nan 0.000 0.436 285 R N 1.736 122.167 120.500 -0.116 0.000 2.083 285 R HA -0.184 4.156 4.340 -0.000 0.000 0.237 285 R C 1.791 178.043 176.300 -0.079 0.000 1.137 285 R CA 1.824 57.878 56.100 -0.077 0.000 0.951 285 R CB -0.048 30.235 30.300 -0.029 0.000 0.851 285 R HN 0.139 nan 8.270 nan 0.000 0.434 286 K N -0.269 120.089 120.400 -0.071 0.000 2.103 286 K HA -0.117 4.203 4.320 -0.000 0.000 0.207 286 K C 2.071 178.633 176.600 -0.064 0.000 1.048 286 K CA 1.570 57.821 56.287 -0.059 0.000 0.930 286 K CB -0.130 32.340 32.500 -0.050 0.000 0.716 286 K HN 0.252 nan 8.250 nan 0.000 0.444 287 A N 0.971 123.748 122.820 -0.071 0.000 1.897 287 A HA -0.084 4.236 4.320 -0.000 0.000 0.215 287 A C 2.090 179.630 177.584 -0.074 0.000 1.181 287 A CA 1.141 53.138 52.037 -0.066 0.000 0.620 287 A CB -0.350 18.610 19.000 -0.067 0.000 0.821 287 A HN 0.149 nan 8.150 nan 0.000 0.443 288 M N -0.634 118.912 119.600 -0.090 0.000 2.159 288 M HA -0.069 4.411 4.480 -0.000 0.000 0.263 288 M C 2.121 178.343 176.300 -0.130 0.000 1.063 288 M CA 1.130 56.364 55.300 -0.109 0.000 1.110 288 M CB -0.476 32.044 32.600 -0.133 0.000 1.374 288 M HN 0.385 nan 8.290 nan 0.000 0.411 289 L N 0.080 121.228 121.223 -0.125 0.000 2.042 289 L HA -0.281 4.059 4.340 -0.000 0.000 0.210 289 L C 2.693 179.514 176.870 -0.082 0.000 1.076 289 L CA 1.466 56.235 54.840 -0.119 0.000 0.749 289 L CB -0.404 41.602 42.059 -0.088 0.000 0.893 289 L HN 0.335 nan 8.230 nan 0.000 0.432 290 Q N 0.386 120.147 119.800 -0.064 0.000 2.020 290 Q HA -0.230 4.110 4.340 -0.000 0.000 0.202 290 Q C 1.603 177.579 176.000 -0.039 0.000 0.982 290 Q CA 2.160 57.937 55.803 -0.044 0.000 0.838 290 Q CB -0.219 28.496 28.738 -0.038 0.000 0.899 290 Q HN 0.402 nan 8.270 nan 0.000 0.423 291 D N -0.045 120.327 120.400 -0.047 0.000 2.127 291 D HA -0.216 4.424 4.640 -0.000 0.000 0.190 291 D C 1.833 178.117 176.300 -0.025 0.000 1.000 291 D CA 1.912 55.891 54.000 -0.035 0.000 0.839 291 D CB -0.349 40.426 40.800 -0.041 0.000 0.955 291 D HN 0.345 nan 8.370 nan 0.000 0.446 292 I N 0.796 121.340 120.570 -0.044 0.000 2.113 292 I HA -0.358 3.812 4.170 -0.000 0.000 0.242 292 I C 2.472 178.589 176.117 0.001 0.000 1.064 292 I CA 1.360 62.649 61.300 -0.020 0.000 1.320 292 I CB -0.508 37.456 38.000 -0.061 0.000 1.028 292 I HN -0.001 nan 8.210 nan 0.000 0.406 293 A N 0.555 123.369 122.820 -0.011 0.000 1.873 293 A HA -0.269 4.051 4.320 -0.000 0.000 0.218 293 A C 2.395 179.984 177.584 0.008 0.000 1.193 293 A CA 2.864 54.903 52.037 0.002 0.000 0.629 293 A CB -1.295 17.701 19.000 -0.006 0.000 0.826 293 A HN 0.428 nan 8.150 nan 0.000 0.447 294 T N 0.426 114.980 114.554 0.001 0.000 2.607 294 T HA -0.166 4.184 4.350 -0.000 0.000 0.267 294 T C 1.853 176.559 174.700 0.010 0.000 1.049 294 T CA 1.426 63.528 62.100 0.003 0.000 1.162 294 T CB -0.437 68.429 68.868 -0.003 0.000 0.863 294 T HN 0.343 nan 8.240 nan 0.000 0.424 295 L N 1.888 123.118 121.223 0.012 0.000 2.129 295 L HA -0.098 4.242 4.340 -0.000 0.000 0.212 295 L C 2.013 178.897 176.870 0.024 0.000 1.087 295 L CA 2.398 57.249 54.840 0.018 0.000 0.757 295 L CB -1.360 40.714 42.059 0.025 0.000 0.896 295 L HN 0.503 nan 8.230 nan 0.000 0.434 296 T N -3.142 111.430 114.554 0.030 0.000 3.129 296 T HA 0.430 4.780 4.350 -0.000 0.000 0.267 296 T C 0.878 175.602 174.700 0.040 0.000 1.018 296 T CA 0.175 62.297 62.100 0.037 0.000 0.903 296 T CB -0.230 68.669 68.868 0.051 0.000 1.067 296 T HN 0.636 nan 8.240 nan 0.000 0.549 297 G N -0.042 108.777 108.800 0.032 0.000 2.978 297 G HA2 0.387 4.347 3.960 -0.000 0.000 0.686 297 G HA3 0.387 4.347 3.960 -0.000 0.000 0.686 297 G C 0.219 175.146 174.900 0.044 0.000 1.288 297 G CA -0.458 44.663 45.100 0.034 0.000 1.026 297 G HN 1.966 nan 8.290 nan 0.000 0.587 298 G N -0.054 108.766 108.800 0.034 0.000 2.462 298 G HA2 0.583 4.543 3.960 -0.000 0.000 0.685 298 G HA3 0.583 4.543 3.960 -0.000 0.000 0.685 298 G C -0.066 174.844 174.900 0.017 0.000 1.295 298 G CA 0.387 45.507 45.100 0.033 0.000 0.941 298 G HN 2.862 nan 8.290 nan 0.000 0.554 299 T N -2.716 111.843 114.554 0.010 0.000 2.907 299 T HA 0.868 5.218 4.350 -0.000 0.000 0.290 299 T C 0.340 175.038 174.700 -0.003 0.000 1.066 299 T CA -0.194 61.906 62.100 0.001 0.000 1.012 299 T CB 1.520 70.386 68.868 -0.003 0.000 1.184 299 T HN 2.072 nan 8.240 nan 0.000 0.522 300 V N -0.691 119.217 119.914 -0.009 0.000 2.686 300 V HA 0.629 4.749 4.120 -0.000 0.000 0.295 300 V C -0.213 175.874 176.094 -0.012 0.000 1.057 300 V CA -0.937 61.355 62.300 -0.013 0.000 1.012 300 V CB 0.393 32.204 31.823 -0.019 0.000 1.006 300 V HN 0.872 nan 8.190 nan 0.000 0.477 301 I N 4.439 125.002 120.570 -0.012 0.000 2.412 301 I HA 0.348 4.518 4.170 -0.000 0.000 0.279 301 I C 0.273 176.384 176.117 -0.010 0.000 1.063 301 I CA -0.051 61.243 61.300 -0.011 0.000 1.193 301 I CB 1.150 39.144 38.000 -0.010 0.000 1.370 301 I HN 0.858 nan 8.210 nan 0.000 0.479 302 S N 2.633 118.327 115.700 -0.010 0.000 2.437 302 S HA 0.361 4.831 4.470 -0.000 0.000 0.305 302 S C 0.722 175.317 174.600 -0.007 0.000 1.109 302 S CA -0.775 57.419 58.200 -0.009 0.000 1.099 302 S CB 1.809 65.002 63.200 -0.012 0.000 1.004 302 S HN 0.584 nan 8.310 nan 0.000 0.475 303 E N 2.206 122.404 120.200 -0.005 0.000 2.171 303 E HA -0.226 4.124 4.350 -0.000 0.000 0.197 303 E C 1.357 177.954 176.600 -0.004 0.000 0.997 303 E CA 1.588 57.986 56.400 -0.003 0.000 0.810 303 E CB -0.245 29.454 29.700 -0.001 0.000 0.738 303 E HN 0.845 nan 8.360 nan 0.000 0.467 304 E N 0.174 120.371 120.200 -0.005 0.000 2.301 304 E HA -0.196 4.154 4.350 -0.000 0.000 0.202 304 E C 0.785 177.381 176.600 -0.006 0.000 1.017 304 E CA 0.796 57.193 56.400 -0.006 0.000 0.831 304 E CB -0.112 29.583 29.700 -0.008 0.000 0.742 304 E HN 0.404 nan 8.360 nan 0.000 0.491 305 I N -0.563 120.003 120.570 -0.006 0.000 2.979 305 I HA 0.208 4.378 4.170 -0.000 0.000 0.337 305 I C 0.767 176.880 176.117 -0.006 0.000 1.453 305 I CA -0.284 61.012 61.300 -0.006 0.000 0.891 305 I CB 0.872 38.867 38.000 -0.008 0.000 1.887 305 I HN 0.054 nan 8.210 nan 0.000 0.546 306 G N 1.912 110.709 108.800 -0.005 0.000 2.200 306 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.268 306 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.268 306 G C 0.424 175.320 174.900 -0.005 0.000 0.986 306 G CA 0.401 45.498 45.100 -0.004 0.000 0.677 306 G HN 0.456 nan 8.290 nan 0.000 0.532 307 M N 0.419 120.016 119.600 -0.006 0.000 2.217 307 M HA 0.408 4.888 4.480 -0.000 0.000 0.354 307 M C 0.417 176.713 176.300 -0.007 0.000 1.225 307 M CA 0.547 55.843 55.300 -0.007 0.000 1.137 307 M CB 0.742 33.337 32.600 -0.009 0.000 1.576 307 M HN 0.229 nan 8.290 nan 0.000 0.461 308 E N 2.194 122.389 120.200 -0.008 0.000 2.277 308 E HA 0.299 4.649 4.350 -0.000 0.000 0.266 308 E C -0.121 176.474 176.600 -0.009 0.000 0.901 308 E CA -0.643 55.753 56.400 -0.007 0.000 0.782 308 E CB 2.043 31.739 29.700 -0.006 0.000 1.228 308 E HN 0.659 nan 8.360 nan 0.000 0.424 309 L N 1.861 123.079 121.223 -0.008 0.000 2.749 309 L HA -0.120 4.220 4.340 -0.000 0.000 0.245 309 L C 1.021 177.883 176.870 -0.015 0.000 1.156 309 L CA 0.702 55.535 54.840 -0.011 0.000 0.890 309 L CB -0.350 41.705 42.059 -0.007 0.000 1.036 309 L HN 0.483 nan 8.230 nan 0.000 0.441 310 E N -0.094 120.098 120.200 -0.013 0.000 2.256 310 E HA 0.009 4.359 4.350 -0.000 0.000 0.198 310 E C 1.031 177.620 176.600 -0.017 0.000 0.908 310 E CA 0.546 56.938 56.400 -0.015 0.000 0.915 310 E CB 0.203 29.896 29.700 -0.010 0.000 0.890 310 E HN 0.186 nan 8.360 nan 0.000 0.484 311 K N 0.937 121.328 120.400 -0.015 0.000 3.025 311 K HA 0.335 4.655 4.320 -0.000 0.000 0.260 311 K C -0.430 176.158 176.600 -0.020 0.000 1.023 311 K CA 0.001 56.279 56.287 -0.016 0.000 1.194 311 K CB 0.290 32.783 32.500 -0.012 0.000 1.094 311 K HN -0.047 nan 8.250 nan 0.000 0.460 312 A N 1.347 124.151 122.820 -0.026 0.000 2.310 312 A HA 0.280 4.600 4.320 -0.000 0.000 0.304 312 A C 0.565 178.122 177.584 -0.046 0.000 1.231 312 A CA -0.779 51.238 52.037 -0.033 0.000 0.799 312 A CB 0.414 19.393 19.000 -0.035 0.000 1.162 312 A HN 0.310 nan 8.150 nan 0.000 0.486 313 T N 0.437 114.964 114.554 -0.045 0.000 3.332 313 T HA 0.331 4.681 4.350 -0.000 0.000 0.367 313 T C 1.172 175.818 174.700 -0.089 0.000 1.244 313 T CA 0.260 62.326 62.100 -0.055 0.000 0.977 313 T CB -0.081 68.763 68.868 -0.039 0.000 1.784 313 T HN 0.307 nan 8.240 nan 0.000 0.553 314 L N -0.308 120.857 121.223 -0.097 0.000 2.408 314 L HA 0.288 4.628 4.340 -0.000 0.000 0.215 314 L C 2.754 179.555 176.870 -0.115 0.000 1.081 314 L CA 0.585 55.328 54.840 -0.163 0.000 0.840 314 L CB -0.318 41.650 42.059 -0.151 0.000 1.002 314 L HN 0.632 nan 8.230 nan 0.000 0.468 315 E N 0.396 120.568 120.200 -0.047 0.000 2.299 315 E HA -0.159 4.191 4.350 -0.000 0.000 0.193 315 E C 1.489 178.086 176.600 -0.006 0.000 0.998 315 E CA 0.785 57.182 56.400 -0.005 0.000 0.851 315 E CB 0.060 29.764 29.700 0.007 0.000 0.795 315 E HN 0.274 nan 8.360 nan 0.000 0.492 316 D N -0.041 120.343 120.400 -0.027 0.000 2.263 316 D HA -0.105 4.535 4.640 -0.000 0.000 0.208 316 D C 0.406 176.697 176.300 -0.014 0.000 0.971 316 D CA 0.338 54.327 54.000 -0.019 0.000 0.867 316 D CB -0.039 40.744 40.800 -0.028 0.000 0.929 316 D HN 0.193 nan 8.370 nan 0.000 0.492 317 L N 0.604 121.805 121.223 -0.036 0.000 2.436 317 L HA 0.356 4.696 4.340 -0.000 0.000 0.265 317 L C 0.970 177.890 176.870 0.082 0.000 1.168 317 L CA 0.012 54.841 54.840 -0.018 0.000 0.815 317 L CB 1.127 43.094 42.059 -0.153 0.000 1.109 317 L HN -0.107 nan 8.230 nan 0.000 0.462 318 G N 2.079 110.951 108.800 0.120 0.000 2.504 318 G HA2 0.498 4.458 3.960 -0.000 0.000 0.288 318 G HA3 0.498 4.458 3.960 -0.000 0.000 0.288 318 G C -1.279 173.764 174.900 0.238 0.000 1.182 318 G CA -0.265 44.921 45.100 0.142 0.000 0.894 318 G HN 0.705 nan 8.290 nan 0.000 0.521 319 Q N -0.840 119.045 119.800 0.142 0.000 2.327 319 Q HA 0.551 4.891 4.340 -0.000 0.000 0.265 319 Q C -1.293 174.708 176.000 0.001 0.000 0.993 319 Q CA -0.735 55.106 55.803 0.063 0.000 0.885 319 Q CB 1.851 30.614 28.738 0.043 0.000 1.379 319 Q HN 0.958 nan 8.270 nan 0.000 0.408 320 A N 2.714 125.512 122.820 -0.036 0.000 2.532 320 A HA 0.489 4.809 4.320 -0.000 0.000 0.290 320 A C -0.470 177.078 177.584 -0.060 0.000 1.143 320 A CA -0.622 51.397 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 0.806 nan 8.150 nan 0.000 0.414 321 K N -0.683 119.691 120.400 -0.044 0.000 2.459 321 K HA 0.133 4.453 4.320 -0.000 0.000 0.193 321 K C 0.358 176.931 176.600 -0.046 0.000 1.030 321 K CA 0.772 57.029 56.287 -0.051 0.000 1.026 321 K CB 0.035 32.512 32.500 -0.038 0.000 0.809 321 K HN 0.566 nan 8.250 nan 0.000 0.504 322 R N -0.337 120.142 120.500 -0.036 0.000 3.513 322 R HA 0.070 4.410 4.340 -0.000 0.000 0.243 322 R C -1.878 174.408 176.300 -0.024 0.000 1.033 322 R CA -0.538 55.544 56.100 -0.030 0.000 1.083 322 R CB 0.914 31.198 30.300 -0.027 0.000 1.246 322 R HN -0.023 nan 8.270 nan 0.000 0.526 323 V N 0.393 120.294 119.914 -0.022 0.000 3.001 323 V HA 0.946 5.066 4.120 -0.000 0.000 0.314 323 V C -1.265 174.812 176.094 -0.028 0.000 1.099 323 V CA -0.630 61.655 62.300 -0.026 0.000 0.989 323 V CB 2.385 34.198 31.823 -0.017 0.000 1.040 323 V HN 0.434 nan 8.190 nan 0.000 0.434 324 V N 3.818 123.705 119.914 -0.045 0.000 2.577 324 V HA 0.500 4.620 4.120 -0.000 0.000 0.294 324 V C -0.971 175.095 176.094 -0.047 0.000 1.052 324 V CA -0.074 62.207 62.300 -0.032 0.000 0.891 324 V CB 1.369 33.174 31.823 -0.030 0.000 1.017 324 V HN 0.832 nan 8.190 nan 0.000 0.436 325 I N 5.523 126.091 120.570 -0.002 0.000 2.377 325 I HA 0.532 4.702 4.170 -0.000 0.000 0.293 325 I C 0.421 176.609 176.117 0.118 0.000 0.987 325 I CA 0.160 61.474 61.300 0.023 0.000 1.185 325 I CB 1.489 39.533 38.000 0.073 0.000 1.341 325 I HN 0.554 nan 8.210 nan 0.000 0.455 326 N N 4.333 123.064 118.700 0.052 0.000 2.879 326 N HA 0.289 5.029 4.740 -0.000 0.000 0.329 326 N C 0.801 176.242 175.510 -0.114 0.000 1.337 326 N CA -0.731 52.367 53.050 0.080 0.000 0.844 326 N CB 0.616 39.110 38.487 0.012 0.000 1.236 326 N HN 0.450 nan 8.380 nan 0.000 0.601 327 K N 0.018 120.321 120.400 -0.163 0.000 2.283 327 K HA -0.125 4.195 4.320 -0.000 0.000 0.202 327 K C -0.593 175.720 176.600 -0.478 0.000 1.048 327 K CA 1.673 57.630 56.287 -0.550 0.000 0.948 327 K CB 0.013 32.417 32.500 -0.160 0.000 0.742 327 K HN 0.588 nan 8.250 nan 0.000 0.458 328 D N -1.391 118.857 120.400 -0.253 0.000 2.783 328 D HA 0.093 4.733 4.640 -0.000 0.000 0.306 328 D C -1.042 175.189 176.300 -0.115 0.000 1.633 328 D CA -0.458 53.442 54.000 -0.168 0.000 0.796 328 D CB 0.795 41.533 40.800 -0.102 0.000 1.230 328 D HN -0.158 nan 8.370 nan 0.000 0.441 329 T N 0.013 114.483 114.554 -0.139 0.000 3.237 329 T HA 0.508 4.858 4.350 -0.000 0.000 0.319 329 T C -0.951 173.608 174.700 -0.236 0.000 1.037 329 T CA -0.447 61.559 62.100 -0.156 0.000 1.048 329 T CB 2.017 70.824 68.868 -0.103 0.000 1.081 329 T HN -0.096 nan 8.240 nan 0.000 0.455 330 T N 2.519 116.798 114.554 -0.459 0.000 2.823 330 T HA 0.717 5.067 4.350 -0.000 0.000 0.279 330 T C -0.173 174.116 174.700 -0.685 0.000 0.998 330 T CA -0.614 61.117 62.100 -0.615 0.000 0.994 330 T CB 1.519 69.790 68.868 -0.994 0.000 0.960 330 T HN 0.660 nan 8.240 nan 0.000 0.448 331 T N 3.042 117.371 114.554 -0.375 0.000 3.031 331 T HA 0.565 4.915 4.350 -0.000 0.000 0.305 331 T C -0.718 173.909 174.700 -0.123 0.000 0.985 331 T CA -0.711 61.247 62.100 -0.236 0.000 1.008 331 T CB 0.102 68.881 68.868 -0.148 0.000 1.005 331 T HN 0.488 nan 8.240 nan 0.000 0.444 332 I N 5.935 126.471 120.570 -0.056 0.000 2.325 332 I HA 0.416 4.586 4.170 -0.000 0.000 0.291 332 I C -0.059 176.058 176.117 -0.001 0.000 1.019 332 I CA -0.772 60.529 61.300 0.002 0.000 1.302 332 I CB 1.087 39.129 38.000 0.070 0.000 1.401 332 I HN 0.573 nan 8.210 nan 0.000 0.485 333 I N 6.005 126.569 120.570 -0.010 0.000 2.362 333 I HA 0.276 4.446 4.170 -0.000 0.000 0.289 333 I C -0.596 175.515 176.117 -0.010 0.000 0.994 333 I CA -0.504 60.789 61.300 -0.012 0.000 1.158 333 I CB 1.208 39.196 38.000 -0.020 0.000 1.315 333 I HN 0.576 nan 8.210 nan 0.000 0.451 334 D N 4.912 125.308 120.400 -0.006 0.000 4.847 334 D HA -0.104 4.536 4.640 -0.000 0.000 0.237 334 D C -0.258 176.039 176.300 -0.004 0.000 1.164 334 D CA 0.829 54.825 54.000 -0.007 0.000 1.196 334 D CB 0.092 40.884 40.800 -0.013 0.000 0.717 334 D HN 0.851 nan 8.370 nan 0.000 0.348 335 G N 1.729 110.531 108.800 0.003 0.000 2.371 335 G HA2 0.488 4.448 3.960 -0.000 0.000 0.326 335 G HA3 0.488 4.448 3.960 -0.000 0.000 0.326 335 G C 1.319 176.222 174.900 0.005 0.000 1.127 335 G CA -0.442 44.663 45.100 0.008 0.000 0.885 335 G HN 0.346 nan 8.290 nan 0.000 0.477 336 V N 2.460 122.378 119.914 0.006 0.000 2.720 336 V HA -0.034 4.086 4.120 -0.000 0.000 0.256 336 V C 2.266 178.367 176.094 0.012 0.000 1.082 336 V CA 1.232 63.536 62.300 0.007 0.000 1.101 336 V CB -1.196 30.634 31.823 0.012 0.000 0.693 336 V HN 0.855 nan 8.190 nan 0.000 0.479 337 G N 1.174 109.983 108.800 0.016 0.000 2.341 337 G HA2 -0.063 3.897 3.960 -0.000 0.000 0.231 337 G HA3 -0.063 3.897 3.960 -0.000 0.000 0.231 337 G C -0.027 174.879 174.900 0.010 0.000 1.206 337 G CA -0.222 44.886 45.100 0.014 0.000 0.865 337 G HN 0.354 nan 8.290 nan 0.000 0.515 338 E N 1.945 122.151 120.200 0.009 0.000 2.328 338 E HA -0.010 4.340 4.350 -0.000 0.000 0.265 338 E C 1.507 178.110 176.600 0.004 0.000 1.057 338 E CA -0.087 56.317 56.400 0.006 0.000 0.916 338 E CB 0.676 30.380 29.700 0.006 0.000 0.993 338 E HN 0.689 nan 8.360 nan 0.000 0.446 339 E N 1.968 122.170 120.200 0.003 0.000 2.501 339 E HA -0.177 4.173 4.350 -0.000 0.000 0.203 339 E C 1.012 177.613 176.600 0.001 0.000 1.072 339 E CA 0.807 57.209 56.400 0.002 0.000 0.885 339 E CB -0.020 29.681 29.700 0.001 0.000 0.813 339 E HN 0.432 nan 8.360 nan 0.000 0.556 340 A N 0.927 123.748 122.820 0.002 0.000 2.055 340 A HA 0.455 4.775 4.320 -0.000 0.000 0.205 340 A C 2.298 179.882 177.584 0.000 0.000 1.235 340 A CA 0.634 52.672 52.037 0.001 0.000 0.822 340 A CB 0.052 19.052 19.000 0.001 0.000 0.903 340 A HN 0.261 nan 8.150 nan 0.000 0.473 341 A N 0.235 123.056 122.820 0.001 0.000 1.898 341 A HA 0.082 4.402 4.320 -0.000 0.000 0.214 341 A C 1.992 179.575 177.584 -0.000 0.000 1.183 341 A CA 1.219 53.257 52.037 0.001 0.000 0.622 341 A CB -0.545 18.456 19.000 0.002 0.000 0.824 341 A HN 0.418 nan 8.150 nan 0.000 0.444 342 I N -0.573 119.998 120.570 0.001 0.000 2.286 342 I HA -0.265 3.905 4.170 -0.000 0.000 0.248 342 I C 2.675 178.791 176.117 -0.002 0.000 1.115 342 I CA 1.674 62.974 61.300 0.000 0.000 1.392 342 I CB -0.179 37.823 38.000 0.003 0.000 1.065 342 I HN 0.353 nan 8.210 nan 0.000 0.418 343 Q N 1.149 120.948 119.800 -0.001 0.000 2.291 343 Q HA -0.109 4.231 4.340 -0.000 0.000 0.205 343 Q C 1.952 177.949 176.000 -0.004 0.000 0.970 343 Q CA 1.726 57.527 55.803 -0.003 0.000 0.876 343 Q CB -0.461 28.276 28.738 -0.002 0.000 0.935 343 Q HN 0.479 nan 8.270 nan 0.000 0.455 344 G N -0.563 108.234 108.800 -0.004 0.000 2.494 344 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.216 344 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.216 344 G C 1.538 176.434 174.900 -0.007 0.000 1.140 344 G CA 0.482 45.579 45.100 -0.005 0.000 0.801 344 G HN 0.298 nan 8.290 nan 0.000 0.536 345 R N 0.548 121.043 120.500 -0.007 0.000 2.073 345 R HA 0.036 4.376 4.340 -0.000 0.000 0.229 345 R C 2.369 178.662 176.300 -0.012 0.000 1.120 345 R CA 1.297 57.391 56.100 -0.010 0.000 0.967 345 R CB -0.837 29.457 30.300 -0.010 0.000 0.862 345 R HN 0.145 nan 8.270 nan 0.000 0.436 346 V N 1.250 121.158 119.914 -0.010 0.000 2.720 346 V HA -0.141 3.979 4.120 -0.000 0.000 0.256 346 V C 2.286 178.374 176.094 -0.011 0.000 1.082 346 V CA 1.532 63.826 62.300 -0.011 0.000 1.101 346 V CB -0.902 30.916 31.823 -0.008 0.000 0.693 346 V HN 0.511 nan 8.190 nan 0.000 0.479 347 A N -0.298 122.516 122.820 -0.010 0.000 1.858 347 A HA -0.266 4.054 4.320 -0.000 0.000 0.216 347 A C 2.218 179.795 177.584 -0.011 0.000 1.190 347 A CA 1.873 53.904 52.037 -0.009 0.000 0.617 347 A CB -0.451 18.544 19.000 -0.008 0.000 0.827 347 A HN 0.572 nan 8.150 nan 0.000 0.443 348 Q N -0.440 119.352 119.800 -0.012 0.000 2.002 348 Q HA -0.164 4.176 4.340 -0.000 0.000 0.204 348 Q C 2.085 178.075 176.000 -0.017 0.000 0.988 348 Q CA 1.752 57.547 55.803 -0.015 0.000 0.843 348 Q CB -0.442 28.287 28.738 -0.016 0.000 0.908 348 Q HN 0.722 nan 8.270 nan 0.000 0.420 349 I N 0.377 120.935 120.570 -0.020 0.000 2.381 349 I HA -0.319 3.851 4.170 -0.000 0.000 0.255 349 I C 2.290 178.393 176.117 -0.022 0.000 1.140 349 I CA 1.286 62.572 61.300 -0.024 0.000 1.404 349 I CB -0.266 37.719 38.000 -0.025 0.000 1.075 349 I HN 0.180 nan 8.210 nan 0.000 0.433 350 R N -0.170 120.319 120.500 -0.017 0.000 2.173 350 R HA -0.000 4.340 4.340 -0.000 0.000 0.208 350 R C 1.886 178.177 176.300 -0.014 0.000 1.035 350 R CA 0.409 56.500 56.100 -0.015 0.000 1.004 350 R CB 0.080 30.372 30.300 -0.012 0.000 0.917 350 R HN 0.292 nan 8.270 nan 0.000 0.462 351 Q N 0.183 119.975 119.800 -0.013 0.000 2.403 351 Q HA -0.005 4.335 4.340 -0.000 0.000 0.203 351 Q C 0.908 176.900 176.000 -0.013 0.000 0.932 351 Q CA 0.752 56.548 55.803 -0.012 0.000 0.945 351 Q CB 0.904 29.636 28.738 -0.010 0.000 1.045 351 Q HN 0.434 nan 8.270 nan 0.000 0.511 352 Q N -0.770 119.020 119.800 -0.017 0.000 2.352 352 Q HA 0.192 4.532 4.340 -0.000 0.000 0.212 352 Q C 1.489 177.477 176.000 -0.020 0.000 0.888 352 Q CA 0.040 55.831 55.803 -0.019 0.000 0.934 352 Q CB 0.728 29.451 28.738 -0.025 0.000 1.093 352 Q HN 0.329 nan 8.270 nan 0.000 0.523 353 I N 0.325 120.884 120.570 -0.019 0.000 3.228 353 I HA -0.059 4.111 4.170 -0.000 0.000 0.279 353 I C 1.266 177.376 176.117 -0.013 0.000 1.221 353 I CA 0.406 61.694 61.300 -0.019 0.000 1.458 353 I CB 0.250 38.239 38.000 -0.019 0.000 1.105 353 I HN -0.006 nan 8.210 nan 0.000 0.445 354 E N 1.649 121.843 120.200 -0.011 0.000 2.494 354 E HA -0.022 4.328 4.350 -0.000 0.000 0.193 354 E C 0.331 176.927 176.600 -0.007 0.000 1.074 354 E CA 0.502 56.897 56.400 -0.008 0.000 0.867 354 E CB 0.024 29.720 29.700 -0.007 0.000 0.924 354 E HN 0.579 nan 8.360 nan 0.000 0.502 355 E N -0.273 119.922 120.200 -0.008 0.000 3.029 355 E HA 0.225 4.575 4.350 -0.000 0.000 0.196 355 E C -0.425 176.172 176.600 -0.006 0.000 0.973 355 E CA -0.197 56.200 56.400 -0.006 0.000 1.242 355 E CB 1.181 30.876 29.700 -0.008 0.000 1.056 355 E HN -0.002 nan 8.360 nan 0.000 0.469 356 A N 1.834 124.651 122.820 -0.006 0.000 2.906 356 A HA 0.086 4.406 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 -0.206 51.828 52.037 -0.003 0.000 1.372 356 A CB -0.876 18.119 19.000 -0.007 0.000 1.091 356 A HN 0.200 nan 8.150 nan 0.000 0.579 357 T N -1.163 113.395 114.554 0.008 0.000 3.584 357 T HA 0.290 4.640 4.350 -0.000 0.000 0.252 357 T C 0.520 175.233 174.700 0.021 0.000 1.103 357 T CA 0.587 62.694 62.100 0.012 0.000 0.977 357 T CB -0.656 68.218 68.868 0.010 0.000 1.044 357 T HN 0.644 nan 8.240 nan 0.000 0.589 358 S N -1.234 114.482 115.700 0.027 0.000 2.703 358 S HA 0.331 4.801 4.470 -0.000 0.000 0.273 358 S C -0.454 174.174 174.600 0.047 0.000 1.178 358 S CA -0.464 57.763 58.200 0.045 0.000 0.838 358 S CB 1.523 64.766 63.200 0.071 0.000 1.178 358 S HN 0.215 nan 8.310 nan 0.000 0.494 359 D N -0.575 119.869 120.400 0.073 0.000 2.725 359 D HA -0.009 4.631 4.640 -0.000 0.000 0.269 359 D C 1.593 177.953 176.300 0.099 0.000 1.018 359 D CA 0.503 54.545 54.000 0.070 0.000 0.956 359 D CB -0.284 40.558 40.800 0.070 0.000 1.141 359 D HN 0.518 nan 8.370 nan 0.000 0.478 360 Y N 2.403 122.705 120.300 0.003 0.000 2.081 360 Y HA -0.258 4.292 4.550 0.000 0.000 0.280 360 Y C 1.591 177.490 175.900 -0.000 0.000 1.163 360 Y CA 2.646 60.749 58.100 0.004 0.000 1.135 360 Y CB -0.679 37.785 38.460 0.007 0.000 0.970 360 Y HN -0.044 nan 8.280 nan 0.000 0.498 361 D N -0.570 119.838 120.400 0.014 0.000 2.190 361 D HA -0.201 4.439 4.640 -0.000 0.000 0.200 361 D C 2.267 178.499 176.300 -0.113 0.000 0.992 361 D CA 1.646 55.589 54.000 -0.095 0.000 0.854 361 D CB -0.233 40.569 40.800 0.003 0.000 0.936 361 D HN 0.373 nan 8.370 nan 0.000 0.462 362 R N 0.601 121.063 120.500 -0.063 0.000 2.057 362 R HA -0.079 4.261 4.340 -0.000 0.000 0.229 362 R C 1.910 178.163 176.300 -0.079 0.000 1.136 362 R CA 1.096 57.164 56.100 -0.054 0.000 0.952 362 R CB 0.053 30.341 30.300 -0.021 0.000 0.848 362 R HN 0.156 nan 8.270 nan 0.000 0.430 363 E N 0.393 120.542 120.200 -0.085 0.000 2.049 363 E HA -0.215 4.135 4.350 -0.000 0.000 0.198 363 E C 1.956 178.479 176.600 -0.130 0.000 1.007 363 E CA 1.273 57.622 56.400 -0.085 0.000 0.809 363 E CB 0.032 29.696 29.700 -0.060 0.000 0.749 363 E HN 0.135 nan 8.360 nan 0.000 0.450 364 K N 0.476 120.732 120.400 -0.241 0.000 2.218 364 K HA -0.142 4.178 4.320 -0.000 0.000 0.205 364 K C 2.096 178.606 176.600 -0.150 0.000 1.046 364 K CA 0.872 57.014 56.287 -0.242 0.000 0.933 364 K CB -0.195 32.056 32.500 -0.414 0.000 0.728 364 K HN 0.242 nan 8.250 nan 0.000 0.454 365 L N 0.252 121.400 121.223 -0.126 0.000 2.102 365 L HA -0.079 4.261 4.340 -0.000 0.000 0.202 365 L C 2.104 178.938 176.870 -0.059 0.000 1.076 365 L CA 0.788 55.577 54.840 -0.084 0.000 0.761 365 L CB -0.265 41.751 42.059 -0.071 0.000 0.921 365 L HN 0.146 nan 8.230 nan 0.000 0.444 366 Q N -0.203 119.565 119.800 -0.053 0.000 2.515 366 Q HA -0.174 4.166 4.340 -0.000 0.000 0.214 366 Q C 1.466 177.448 176.000 -0.031 0.000 0.971 366 Q CA 0.465 56.247 55.803 -0.035 0.000 0.952 366 Q CB 0.214 28.935 28.738 -0.028 0.000 0.999 366 Q HN 0.472 nan 8.270 nan 0.000 0.524 367 E N 0.452 120.627 120.200 -0.042 0.000 2.307 367 E HA -0.025 4.325 4.350 -0.000 0.000 0.195 367 E C 1.705 178.292 176.600 -0.023 0.000 0.975 367 E CA -0.039 56.342 56.400 -0.031 0.000 0.878 367 E CB 0.418 30.092 29.700 -0.043 0.000 0.845 367 E HN 0.185 nan 8.360 nan 0.000 0.488 368 R N 0.318 120.799 120.500 -0.032 0.000 2.080 368 R HA -0.055 4.285 4.340 -0.000 0.000 0.222 368 R C 2.567 178.858 176.300 -0.016 0.000 1.107 368 R CA 1.216 57.301 56.100 -0.025 0.000 0.980 368 R CB -0.092 30.184 30.300 -0.039 0.000 0.879 368 R HN 0.167 nan 8.270 nan 0.000 0.439 369 V N -1.307 118.596 119.914 -0.019 0.000 2.392 369 V HA -0.160 3.960 4.120 -0.000 0.000 0.249 369 V C 2.321 178.411 176.094 -0.006 0.000 1.059 369 V CA 1.777 64.070 62.300 -0.013 0.000 1.051 369 V CB -1.170 30.645 31.823 -0.014 0.000 0.658 369 V HN 0.234 nan 8.190 nan 0.000 0.455 370 A N 0.856 123.672 122.820 -0.006 0.000 1.873 370 A HA -0.274 4.046 4.320 -0.000 0.000 0.218 370 A C 2.357 179.944 177.584 0.006 0.000 1.193 370 A CA 2.684 54.721 52.037 -0.001 0.000 0.629 370 A CB -0.709 18.290 19.000 -0.002 0.000 0.826 370 A HN 0.630 nan 8.150 nan 0.000 0.447 371 K N -1.249 119.158 120.400 0.011 0.000 2.002 371 K HA -0.084 4.236 4.320 -0.000 0.000 0.209 371 K C 1.874 178.488 176.600 0.023 0.000 1.048 371 K CA 1.432 57.734 56.287 0.025 0.000 0.930 371 K CB -0.360 32.164 32.500 0.041 0.000 0.714 371 K HN 0.364 nan 8.250 nan 0.000 0.438 372 L N 0.090 121.322 121.223 0.015 0.000 2.376 372 L HA -0.020 4.320 4.340 -0.000 0.000 0.219 372 L C 1.590 178.464 176.870 0.007 0.000 1.133 372 L CA 1.330 56.177 54.840 0.012 0.000 0.816 372 L CB -0.075 41.986 42.059 0.003 0.000 0.933 372 L HN 0.116 nan 8.230 nan 0.000 0.449 373 A N -2.021 120.802 122.820 0.004 0.000 2.287 373 A HA 0.405 4.725 4.320 -0.000 0.000 0.214 373 A C 2.091 179.676 177.584 0.002 0.000 1.228 373 A CA 0.403 52.441 52.037 0.002 0.000 0.939 373 A CB -0.584 18.415 19.000 -0.001 0.000 0.992 373 A HN 0.366 nan 8.150 nan 0.000 0.502 374 G N 0.046 108.848 108.800 0.004 0.000 2.402 374 G HA2 0.368 4.328 3.960 -0.000 0.000 0.216 374 G HA3 0.368 4.328 3.960 -0.000 0.000 0.216 374 G C 1.174 176.075 174.900 0.001 0.000 1.162 374 G CA 0.787 45.888 45.100 0.002 0.000 0.777 374 G HN 1.711 nan 8.290 nan 0.000 0.539 375 G N -1.761 107.041 108.800 0.005 0.000 2.741 375 G HA2 0.051 4.011 3.960 -0.000 0.000 0.222 375 G HA3 0.051 4.011 3.960 -0.000 0.000 0.222 375 G C -0.684 174.216 174.900 -0.001 0.000 1.364 375 G CA -0.320 44.782 45.100 0.003 0.000 0.866 375 G HN 1.074 nan 8.290 nan 0.000 0.555 376 V N 0.120 120.032 119.914 -0.004 0.000 2.638 376 V HA 0.761 4.881 4.120 -0.000 0.000 0.306 376 V C 0.757 176.842 176.094 -0.013 0.000 1.052 376 V CA -0.161 62.133 62.300 -0.011 0.000 0.885 376 V CB 1.378 33.193 31.823 -0.013 0.000 0.999 376 V HN 2.168 nan 8.190 nan 0.000 0.424 377 A N 3.991 126.801 122.820 -0.017 0.000 2.366 377 A HA 0.721 5.041 4.320 -0.000 0.000 0.272 377 A C -0.407 177.165 177.584 -0.021 0.000 1.135 377 A CA -0.290 51.737 52.037 -0.018 0.000 0.804 377 A CB 0.658 19.647 19.000 -0.019 0.000 1.064 377 A HN 0.863 nan 8.150 nan 0.000 0.499 378 V N 5.058 124.961 119.914 -0.018 0.000 2.380 378 V HA 0.255 4.375 4.120 -0.000 0.000 0.286 378 V C -0.181 175.903 176.094 -0.017 0.000 1.015 378 V CA -0.134 62.155 62.300 -0.019 0.000 0.834 378 V CB 0.797 32.610 31.823 -0.017 0.000 1.009 378 V HN 0.752 nan 8.190 nan 0.000 0.428 379 I N 4.529 125.088 120.570 -0.019 0.000 2.441 379 I HA 0.344 4.514 4.170 -0.000 0.000 0.287 379 I C 0.379 176.487 176.117 -0.014 0.000 1.049 379 I CA -0.175 61.116 61.300 -0.016 0.000 1.381 379 I CB 0.900 38.889 38.000 -0.018 0.000 1.409 379 I HN 0.476 nan 8.210 nan 0.000 0.523 380 K N 6.015 126.408 120.400 -0.011 0.000 2.473 380 K HA 0.389 4.709 4.320 -0.000 0.000 0.246 380 K C -0.882 175.714 176.600 -0.008 0.000 1.011 380 K CA -0.627 55.654 56.287 -0.010 0.000 0.984 380 K CB 1.760 34.255 32.500 -0.009 0.000 1.250 380 K HN 0.329 nan 8.250 nan 0.000 0.454 381 V N 2.221 122.131 119.914 -0.007 0.000 2.673 381 V HA 0.112 4.232 4.120 -0.000 0.000 0.303 381 V C 0.905 176.997 176.094 -0.005 0.000 1.046 381 V CA 0.185 62.481 62.300 -0.006 0.000 1.126 381 V CB 0.955 32.775 31.823 -0.004 0.000 0.934 381 V HN 0.886 nan 8.190 nan 0.000 0.487 382 G N 2.677 111.475 108.800 -0.004 0.000 2.481 382 G HA2 0.862 4.822 3.960 -0.000 0.000 0.315 382 G HA3 0.862 4.822 3.960 -0.000 0.000 0.315 382 G C -0.782 174.116 174.900 -0.003 0.000 1.231 382 G CA -0.009 45.089 45.100 -0.004 0.000 0.968 382 G HN 1.193 nan 8.290 nan 0.000 0.482 383 A N -0.478 122.340 122.820 -0.003 0.000 2.557 383 A HA 0.837 5.157 4.320 -0.000 0.000 0.292 383 A C 0.965 178.547 177.584 -0.002 0.000 1.139 383 A CA 0.445 52.480 52.037 -0.003 0.000 0.665 383 A CB 0.546 19.545 19.000 -0.002 0.000 1.285 383 A HN 1.873 nan 8.150 nan 0.000 0.433 384 A N -0.344 122.475 122.820 -0.002 0.000 1.873 384 A HA 0.352 4.672 4.320 -0.000 0.000 0.215 384 A C 1.376 178.959 177.584 -0.002 0.000 1.186 384 A CA 2.545 54.581 52.037 -0.002 0.000 0.616 384 A CB -0.814 18.185 19.000 -0.002 0.000 0.823 384 A HN 2.121 nan 8.150 nan 0.000 0.442 385 T N -4.358 110.195 114.554 -0.002 0.000 2.924 385 T HA 0.466 4.816 4.350 -0.000 0.000 0.291 385 T C 0.522 175.221 174.700 -0.002 0.000 1.045 385 T CA 0.088 62.187 62.100 -0.002 0.000 1.015 385 T CB 1.919 70.786 68.868 -0.002 0.000 1.103 385 T HN 0.320 nan 8.240 nan 0.000 0.496 386 E N 0.325 120.524 120.200 -0.002 0.000 2.160 386 E HA -0.153 4.197 4.350 -0.000 0.000 0.195 386 E C 1.688 178.287 176.600 -0.001 0.000 0.991 386 E CA 1.415 57.814 56.400 -0.001 0.000 0.810 386 E CB -0.161 29.538 29.700 -0.001 0.000 0.742 386 E HN 0.562 nan 8.360 nan 0.000 0.466 387 V N 1.360 121.273 119.914 -0.001 0.000 2.229 387 V HA -0.254 3.866 4.120 -0.000 0.000 0.243 387 V C 2.167 178.261 176.094 -0.001 0.000 1.042 387 V CA 2.226 64.525 62.300 -0.001 0.000 1.000 387 V CB -0.733 31.089 31.823 -0.001 0.000 0.637 387 V HN 0.291 nan 8.190 nan 0.000 0.446 388 E N -0.108 120.091 120.200 -0.001 0.000 2.086 388 E HA -0.322 4.028 4.350 -0.000 0.000 0.200 388 E C 2.191 178.790 176.600 -0.001 0.000 1.012 388 E CA 1.874 58.274 56.400 -0.001 0.000 0.812 388 E CB -0.332 29.367 29.700 -0.002 0.000 0.743 388 E HN 0.446 nan 8.360 nan 0.000 0.453 389 M N 1.131 120.731 119.600 -0.001 0.000 2.086 389 M HA -0.164 4.316 4.480 -0.000 0.000 0.261 389 M C 1.730 178.030 176.300 -0.001 0.000 1.067 389 M CA 1.640 56.940 55.300 -0.001 0.000 1.116 389 M CB -0.239 32.360 32.600 -0.002 0.000 1.348 389 M HN -0.121 nan 8.290 nan 0.000 0.407 390 K N 0.188 120.588 120.400 -0.000 0.000 2.209 390 K HA -0.140 4.180 4.320 -0.000 0.000 0.204 390 K C 1.954 178.555 176.600 0.002 0.000 1.048 390 K CA 0.909 57.196 56.287 0.001 0.000 0.940 390 K CB -0.417 32.084 32.500 0.001 0.000 0.729 390 K HN 0.442 nan 8.250 nan 0.000 0.451 391 E N 1.481 121.681 120.200 0.001 0.000 2.028 391 E HA -0.150 4.200 4.350 -0.000 0.000 0.190 391 E C 1.960 178.561 176.600 0.002 0.000 0.984 391 E CA 1.116 57.517 56.400 0.001 0.000 0.800 391 E CB 0.078 29.778 29.700 0.000 0.000 0.758 391 E HN 0.189 nan 8.360 nan 0.000 0.448 392 K N 1.116 121.516 120.400 0.001 0.000 2.032 392 K HA -0.193 4.127 4.320 -0.000 0.000 0.209 392 K C 2.271 178.872 176.600 0.002 0.000 1.048 392 K CA 1.863 58.150 56.287 0.001 0.000 0.927 392 K CB -0.181 32.319 32.500 -0.001 0.000 0.712 392 K HN -0.081 nan 8.250 nan 0.000 0.441 393 K N 0.021 120.422 120.400 0.002 0.000 2.211 393 K HA -0.158 4.162 4.320 -0.000 0.000 0.204 393 K C 1.758 178.362 176.600 0.007 0.000 1.047 393 K CA 1.230 57.519 56.287 0.003 0.000 0.935 393 K CB -0.128 32.373 32.500 0.001 0.000 0.728 393 K HN 0.265 nan 8.250 nan 0.000 0.452 394 A N 1.344 124.169 122.820 0.009 0.000 1.872 394 A HA -0.075 4.245 4.320 -0.000 0.000 0.214 394 A C 2.083 179.678 177.584 0.017 0.000 1.187 394 A CA 1.081 53.126 52.037 0.014 0.000 0.614 394 A CB -0.398 18.608 19.000 0.010 0.000 0.826 394 A HN 0.307 nan 8.150 nan 0.000 0.442 395 R N -0.562 119.945 120.500 0.012 0.000 2.091 395 R HA -0.107 4.233 4.340 -0.000 0.000 0.238 395 R C 2.041 178.350 176.300 0.015 0.000 1.136 395 R CA 1.556 57.664 56.100 0.012 0.000 0.959 395 R CB -0.577 29.727 30.300 0.006 0.000 0.856 395 R HN 0.385 nan 8.270 nan 0.000 0.437 396 V N 1.062 120.982 119.914 0.010 0.000 2.343 396 V HA -0.235 3.885 4.120 -0.000 0.000 0.247 396 V C 2.000 178.100 176.094 0.011 0.000 1.051 396 V CA 1.795 64.098 62.300 0.006 0.000 1.036 396 V CB -0.419 31.404 31.823 -0.001 0.000 0.654 396 V HN 0.357 nan 8.190 nan 0.000 0.451 397 E N -0.357 119.855 120.200 0.020 0.000 2.153 397 E HA -0.223 4.127 4.350 -0.000 0.000 0.194 397 E C 1.891 178.549 176.600 0.097 0.000 0.988 397 E CA 1.345 57.768 56.400 0.038 0.000 0.811 397 E CB -0.060 29.670 29.700 0.050 0.000 0.746 397 E HN 0.645 nan 8.360 nan 0.000 0.466 398 D N -0.179 120.272 120.400 0.086 0.000 2.162 398 D HA -0.040 4.600 4.640 -0.000 0.000 0.205 398 D C 1.884 178.242 176.300 0.098 0.000 0.964 398 D CA 0.931 54.995 54.000 0.108 0.000 0.847 398 D CB -0.043 40.789 40.800 0.053 0.000 0.988 398 D HN 0.116 nan 8.370 nan 0.000 0.480 399 A N 1.114 123.965 122.820 0.052 0.000 1.972 399 A HA -0.131 4.189 4.320 -0.000 0.000 0.219 399 A C 2.124 179.726 177.584 0.030 0.000 1.169 399 A CA 0.771 52.829 52.037 0.036 0.000 0.635 399 A CB -0.565 18.445 19.000 0.017 0.000 0.810 399 A HN 0.194 nan 8.150 nan 0.000 0.446 400 L N -1.315 119.913 121.223 0.009 0.000 2.362 400 L HA -0.098 4.242 4.340 -0.000 0.000 0.219 400 L C 2.140 178.968 176.870 -0.070 0.000 1.134 400 L CA 1.635 56.447 54.840 -0.046 0.000 0.807 400 L CB -0.530 41.473 42.059 -0.094 0.000 0.927 400 L HN 0.479 nan 8.230 nan 0.000 0.447 401 H N -1.290 117.779 119.070 -0.002 0.000 2.370 401 H HA 0.194 4.750 4.556 -0.000 0.000 0.304 401 H C 2.103 177.432 175.328 0.001 0.000 1.055 401 H CA 1.105 57.152 56.048 -0.001 0.000 1.373 401 H CB 0.023 29.784 29.762 -0.001 0.000 1.423 401 H HN 0.404 nan 8.280 nan 0.000 0.533 402 A N 0.294 123.200 122.820 0.143 0.000 1.902 402 A HA -0.163 4.157 4.320 -0.000 0.000 0.217 402 A C 2.591 180.206 177.584 0.052 0.000 1.181 402 A CA 2.114 54.197 52.037 0.077 0.000 0.623 402 A CB -0.965 18.065 19.000 0.050 0.000 0.818 402 A HN 0.374 nan 8.150 nan 0.000 0.443 403 T N -0.429 114.148 114.554 0.038 0.000 2.652 403 T HA -0.160 4.190 4.350 -0.000 0.000 0.267 403 T C 2.053 176.764 174.700 0.018 0.000 1.039 403 T CA 1.468 63.579 62.100 0.019 0.000 1.153 403 T CB -0.260 68.611 68.868 0.005 0.000 0.863 403 T HN 0.396 nan 8.240 nan 0.000 0.428 404 R N 0.697 121.207 120.500 0.016 0.000 2.193 404 R HA 0.080 4.420 4.340 -0.000 0.000 0.229 404 R C 2.409 178.728 176.300 0.032 0.000 1.110 404 R CA 0.981 57.090 56.100 0.014 0.000 0.988 404 R CB -0.376 29.924 30.300 -0.000 0.000 0.871 404 R HN 0.382 nan 8.270 nan 0.000 0.458 405 A N 0.065 122.913 122.820 0.046 0.000 2.123 405 A HA 0.147 4.467 4.320 -0.000 0.000 0.214 405 A C 2.037 179.640 177.584 0.031 0.000 1.152 405 A CA 1.081 53.144 52.037 0.045 0.000 0.728 405 A CB 0.046 19.078 19.000 0.054 0.000 0.814 405 A HN 0.300 nan 8.150 nan 0.000 0.464 406 A N -0.908 121.927 122.820 0.026 0.000 1.997 406 A HA 0.252 4.572 4.320 -0.000 0.000 0.212 406 A C 1.955 179.549 177.584 0.016 0.000 1.178 406 A CA 1.041 53.089 52.037 0.019 0.000 0.698 406 A CB -0.428 18.582 19.000 0.017 0.000 0.842 406 A HN 0.242 nan 8.150 nan 0.000 0.458 407 V N 0.470 120.393 119.914 0.014 0.000 2.626 407 V HA -0.221 3.899 4.120 -0.000 0.000 0.252 407 V C 2.309 178.410 176.094 0.012 0.000 1.067 407 V CA 2.230 64.536 62.300 0.011 0.000 1.081 407 V CB -0.573 31.255 31.823 0.007 0.000 0.686 407 V HN 0.614 nan 8.190 nan 0.000 0.468 408 E N -0.247 119.963 120.200 0.016 0.000 2.042 408 E HA -0.078 4.272 4.350 -0.000 0.000 0.189 408 E C 1.527 178.137 176.600 0.016 0.000 0.974 408 E CA 1.000 57.410 56.400 0.017 0.000 0.806 408 E CB 0.076 29.789 29.700 0.021 0.000 0.769 408 E HN 0.623 nan 8.360 nan 0.000 0.451 409 E N -0.279 119.931 120.200 0.017 0.000 2.660 409 E HA 0.238 4.588 4.350 -0.000 0.000 0.216 409 E C 0.125 176.733 176.600 0.014 0.000 0.986 409 E CA 0.047 56.456 56.400 0.015 0.000 1.037 409 E CB 1.573 31.282 29.700 0.015 0.000 1.041 409 E HN 0.250 nan 8.360 nan 0.000 0.480 410 G N 1.176 109.985 108.800 0.014 0.000 2.725 410 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.220 410 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.220 410 G C -0.325 174.583 174.900 0.014 0.000 1.357 410 G CA -0.424 44.684 45.100 0.013 0.000 0.866 410 G HN 0.525 nan 8.290 nan 0.000 0.548 411 V N -2.163 117.759 119.914 0.013 0.000 3.074 411 V HA 0.997 5.117 4.120 -0.000 0.000 0.314 411 V C 0.495 176.597 176.094 0.013 0.000 1.117 411 V CA 0.408 62.716 62.300 0.013 0.000 1.014 411 V CB 1.575 33.405 31.823 0.012 0.000 1.057 411 V HN 2.551 nan 8.190 nan 0.000 0.438 412 V N -0.298 119.624 119.914 0.013 0.000 3.182 412 V HA 1.010 5.130 4.120 -0.000 0.000 0.308 412 V C 0.390 176.491 176.094 0.012 0.000 1.240 412 V CA -0.707 61.602 62.300 0.015 0.000 1.063 412 V CB 1.167 33.000 31.823 0.016 0.000 1.076 412 V HN 2.230 nan 8.190 nan 0.000 0.446 413 A N 0.662 123.490 122.820 0.014 0.000 2.546 413 A HA 0.640 4.960 4.320 -0.000 0.000 0.243 413 A C 0.911 178.496 177.584 0.001 0.000 1.063 413 A CA 0.685 52.726 52.037 0.007 0.000 0.757 413 A CB -0.488 18.519 19.000 0.013 0.000 0.991 413 A HN 2.015 nan 8.150 nan 0.000 0.503 414 G N 0.859 109.653 108.800 -0.009 0.000 2.546 414 G HA2 0.486 4.446 3.960 -0.000 0.000 0.239 414 G HA3 0.486 4.446 3.960 -0.000 0.000 0.239 414 G C 1.191 176.081 174.900 -0.016 0.000 1.476 414 G CA 0.020 45.113 45.100 -0.012 0.000 1.064 414 G HN 2.217 nan 8.290 nan 0.000 0.561 415 G N -1.626 107.161 108.800 -0.022 0.000 2.337 415 G HA2 0.187 4.147 3.960 -0.000 0.000 0.290 415 G HA3 0.187 4.147 3.960 -0.000 0.000 0.290 415 G C 1.524 176.425 174.900 0.001 0.000 1.003 415 G CA 1.418 46.505 45.100 -0.020 0.000 0.825 415 G HN 2.416 nan 8.290 nan 0.000 0.509 416 G N -2.621 106.181 108.800 0.004 0.000 2.168 416 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.263 416 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.263 416 G C 1.774 176.684 174.900 0.018 0.000 0.977 416 G CA 1.889 46.997 45.100 0.012 0.000 0.659 416 G HN 2.180 nan 8.290 nan 0.000 0.533 417 V N -2.211 117.713 119.914 0.017 0.000 2.488 417 V HA 0.396 4.516 4.120 -0.000 0.000 0.246 417 V C 2.876 178.988 176.094 0.030 0.000 1.046 417 V CA 1.821 64.137 62.300 0.027 0.000 1.053 417 V CB -0.945 30.892 31.823 0.023 0.000 0.679 417 V HN 1.431 nan 8.190 nan 0.000 0.458 418 A N 1.079 123.913 122.820 0.024 0.000 1.927 418 A HA -0.176 4.144 4.320 -0.000 0.000 0.220 418 A C 2.243 179.842 177.584 0.025 0.000 1.185 418 A CA 2.633 54.685 52.037 0.025 0.000 0.639 418 A CB -0.780 18.232 19.000 0.019 0.000 0.820 418 A HN 0.630 nan 8.150 nan 0.000 0.451 419 L N -1.281 119.956 121.223 0.022 0.000 2.044 419 L HA -0.038 4.302 4.340 -0.000 0.000 0.205 419 L C 2.483 179.367 176.870 0.024 0.000 1.075 419 L CA 1.237 56.089 54.840 0.021 0.000 0.747 419 L CB -0.364 41.706 42.059 0.018 0.000 0.903 419 L HN 0.447 nan 8.230 nan 0.000 0.435 420 I N -0.168 120.418 120.570 0.027 0.000 2.454 420 I HA -0.309 3.861 4.170 -0.000 0.000 0.254 420 I C 2.752 178.892 176.117 0.038 0.000 1.156 420 I CA 0.930 62.249 61.300 0.031 0.000 1.433 420 I CB 0.034 38.054 38.000 0.034 0.000 1.082 420 I HN 0.221 nan 8.210 nan 0.000 0.432 421 R N 0.310 120.836 120.500 0.043 0.000 2.055 421 R HA -0.087 4.253 4.340 -0.000 0.000 0.228 421 R C 2.047 178.369 176.300 0.035 0.000 1.143 421 R CA 2.011 58.140 56.100 0.049 0.000 0.945 421 R CB -1.074 29.259 30.300 0.055 0.000 0.841 421 R HN 0.184 nan 8.270 nan 0.000 0.429 422 V N 1.271 121.202 119.914 0.029 0.000 2.453 422 V HA -0.284 3.836 4.120 -0.000 0.000 0.252 422 V C 2.296 178.401 176.094 0.019 0.000 1.068 422 V CA 2.090 64.403 62.300 0.022 0.000 1.070 422 V CB -0.882 30.951 31.823 0.018 0.000 0.664 422 V HN 0.596 nan 8.190 nan 0.000 0.461 423 A N 0.230 123.062 122.820 0.020 0.000 1.872 423 A HA -0.161 4.159 4.320 -0.000 0.000 0.214 423 A C 2.504 180.099 177.584 0.018 0.000 1.187 423 A CA 1.899 53.947 52.037 0.017 0.000 0.614 423 A CB -0.720 18.291 19.000 0.018 0.000 0.826 423 A HN 0.695 nan 8.150 nan 0.000 0.442 424 S N -0.260 115.454 115.700 0.023 0.000 2.447 424 S HA -0.093 4.377 4.470 -0.000 0.000 0.233 424 S C 1.616 176.227 174.600 0.018 0.000 1.006 424 S CA 1.409 59.622 58.200 0.022 0.000 0.957 424 S CB -0.300 62.918 63.200 0.029 0.000 0.773 424 S HN 0.565 nan 8.310 nan 0.000 0.507 425 K N 0.426 120.837 120.400 0.018 0.000 2.432 425 K HA 0.275 4.595 4.320 -0.000 0.000 0.196 425 K C 0.689 177.295 176.600 0.011 0.000 1.038 425 K CA 0.440 56.736 56.287 0.015 0.000 0.986 425 K CB -0.090 32.420 32.500 0.016 0.000 0.782 425 K HN 0.425 nan 8.250 nan 0.000 0.485 426 L N -0.286 120.943 121.223 0.010 0.000 2.965 426 L HA 0.247 4.587 4.340 -0.000 0.000 0.254 426 L C 1.467 178.341 176.870 0.007 0.000 1.220 426 L CA -0.281 54.564 54.840 0.008 0.000 1.023 426 L CB 0.529 42.592 42.059 0.007 0.000 1.355 426 L HN 0.016 nan 8.230 nan 0.000 0.545 427 A N -0.137 122.688 122.820 0.007 0.000 2.019 427 A HA -0.187 4.133 4.320 -0.000 0.000 0.219 427 A C 1.668 179.255 177.584 0.004 0.000 1.164 427 A CA 1.735 53.776 52.037 0.006 0.000 0.644 427 A CB -0.187 18.817 19.000 0.006 0.000 0.805 427 A HN 0.336 nan 8.150 nan 0.000 0.449 428 D N -1.040 119.362 120.400 0.004 0.000 2.277 428 D HA 0.055 4.695 4.640 -0.000 0.000 0.208 428 D C 0.622 176.923 176.300 0.003 0.000 0.962 428 D CA -0.012 53.989 54.000 0.003 0.000 0.865 428 D CB -0.246 40.556 40.800 0.003 0.000 0.939 428 D HN 0.330 nan 8.370 nan 0.000 0.510 429 L N 1.675 122.900 121.223 0.003 0.000 2.578 429 L HA 0.058 4.398 4.340 -0.000 0.000 0.279 429 L C 0.161 177.032 176.870 0.002 0.000 1.227 429 L CA 0.728 55.569 54.840 0.002 0.000 0.900 429 L CB -0.002 42.058 42.059 0.003 0.000 1.144 429 L HN -0.123 nan 8.230 nan 0.000 0.496 430 R N 3.056 123.557 120.500 0.002 0.000 2.855 430 R HA 0.778 5.118 4.340 -0.000 0.000 0.266 430 R C -0.324 175.977 176.300 0.001 0.000 1.034 430 R CA -0.351 55.750 56.100 0.001 0.000 0.944 430 R CB 1.463 31.763 30.300 0.001 0.000 1.219 430 R HN 0.811 nan 8.270 nan 0.000 0.474 431 G N -0.579 108.222 108.800 0.001 0.000 3.140 431 G HA2 0.241 4.201 3.960 -0.000 0.000 0.271 431 G HA3 0.241 4.201 3.960 -0.000 0.000 0.271 431 G C -0.010 174.890 174.900 0.001 0.000 1.370 431 G CA -0.345 44.755 45.100 0.001 0.000 1.014 431 G HN 0.394 nan 8.290 nan 0.000 0.541 432 Q N -0.707 119.093 119.800 0.001 0.000 2.291 432 Q HA -0.009 4.331 4.340 -0.000 0.000 0.205 432 Q C 0.264 176.265 176.000 0.001 0.000 0.970 432 Q CA 1.371 57.175 55.803 0.001 0.000 0.876 432 Q CB -0.065 28.673 28.738 0.001 0.000 0.935 432 Q HN 0.608 nan 8.270 nan 0.000 0.455 433 N N -2.805 115.895 118.700 0.001 0.000 3.020 433 N HA 0.029 4.769 4.740 -0.000 0.000 0.248 433 N C -0.239 175.271 175.510 0.001 0.000 1.480 433 N CA -0.517 52.533 53.050 0.001 0.000 0.874 433 N CB 0.537 39.025 38.487 0.001 0.000 1.433 433 N HN -0.308 nan 8.380 nan 0.000 0.530 434 E N -0.204 119.997 120.200 0.001 0.000 2.097 434 E HA -0.181 4.169 4.350 -0.000 0.000 0.196 434 E C 0.480 177.081 176.600 0.002 0.000 1.000 434 E CA 1.823 58.224 56.400 0.001 0.000 0.804 434 E CB -0.269 29.431 29.700 0.001 0.000 0.740 434 E HN 0.593 nan 8.360 nan 0.000 0.454 435 D N 0.020 120.421 120.400 0.002 0.000 2.087 435 D HA -0.182 4.458 4.640 -0.000 0.000 0.192 435 D C 1.969 178.270 176.300 0.003 0.000 0.993 435 D CA 1.162 55.163 54.000 0.002 0.000 0.828 435 D CB -0.376 40.426 40.800 0.003 0.000 0.968 435 D HN 0.343 nan 8.370 nan 0.000 0.448 436 Q N 0.190 119.991 119.800 0.002 0.000 2.197 436 Q HA -0.148 4.192 4.340 -0.000 0.000 0.207 436 Q C 1.894 177.895 176.000 0.002 0.000 0.984 436 Q CA 0.850 56.655 55.803 0.002 0.000 0.869 436 Q CB 0.004 28.743 28.738 0.002 0.000 0.906 436 Q HN 0.253 nan 8.270 nan 0.000 0.426 437 N N -0.234 118.468 118.700 0.002 0.000 2.120 437 N HA -0.132 4.608 4.740 -0.000 0.000 0.188 437 N C 1.840 177.352 175.510 0.003 0.000 1.024 437 N CA 1.086 54.138 53.050 0.002 0.000 0.852 437 N CB -0.337 38.151 38.487 0.002 0.000 1.003 437 N HN 0.065 nan 8.380 nan 0.000 0.424 438 V N 1.126 121.041 119.914 0.003 0.000 2.295 438 V HA -0.178 3.942 4.120 -0.000 0.000 0.246 438 V C 2.497 178.593 176.094 0.004 0.000 1.049 438 V CA 2.044 64.346 62.300 0.003 0.000 1.024 438 V CB -1.321 30.504 31.823 0.003 0.000 0.648 438 V HN 0.344 nan 8.190 nan 0.000 0.447 439 G N -0.086 108.717 108.800 0.004 0.000 2.513 439 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.219 439 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.219 439 G C 1.521 176.424 174.900 0.004 0.000 1.160 439 G CA 1.436 46.538 45.100 0.004 0.000 0.767 439 G HN 0.439 nan 8.290 nan 0.000 0.571 440 I N 0.702 121.274 120.570 0.003 0.000 2.113 440 I HA -0.086 4.084 4.170 -0.000 0.000 0.238 440 I C 2.635 178.755 176.117 0.004 0.000 1.070 440 I CA 1.261 62.563 61.300 0.003 0.000 1.332 440 I CB -0.137 37.865 38.000 0.003 0.000 1.044 440 I HN -0.053 nan 8.210 nan 0.000 0.402 441 K N 0.144 120.546 120.400 0.004 0.000 2.218 441 K HA -0.116 4.204 4.320 -0.000 0.000 0.205 441 K C 2.164 178.767 176.600 0.005 0.000 1.046 441 K CA 1.075 57.365 56.287 0.005 0.000 0.933 441 K CB -0.756 31.747 32.500 0.004 0.000 0.728 441 K HN 0.240 nan 8.250 nan 0.000 0.454 442 V N 1.189 121.106 119.914 0.005 0.000 2.323 442 V HA -0.202 3.918 4.120 -0.000 0.000 0.244 442 V C 2.438 178.536 176.094 0.007 0.000 1.041 442 V CA 1.840 64.144 62.300 0.006 0.000 1.025 442 V CB -0.634 31.193 31.823 0.006 0.000 0.656 442 V HN 0.294 nan 8.190 nan 0.000 0.451 443 A N -0.216 122.608 122.820 0.007 0.000 1.908 443 A HA -0.174 4.146 4.320 -0.000 0.000 0.218 443 A C 2.192 179.781 177.584 0.008 0.000 1.181 443 A CA 1.867 53.908 52.037 0.007 0.000 0.627 443 A CB -0.567 18.436 19.000 0.005 0.000 0.818 443 A HN 0.498 nan 8.150 nan 0.000 0.445 444 L N -1.314 119.914 121.223 0.007 0.000 1.989 444 L HA -0.207 4.133 4.340 -0.000 0.000 0.211 444 L C 2.825 179.701 176.870 0.010 0.000 1.071 444 L CA 1.921 56.767 54.840 0.009 0.000 0.749 444 L CB -0.620 41.444 42.059 0.008 0.000 0.890 444 L HN 0.439 nan 8.230 nan 0.000 0.431 445 R N 0.216 120.721 120.500 0.009 0.000 2.103 445 R HA -0.209 4.131 4.340 -0.000 0.000 0.242 445 R C 2.309 178.615 176.300 0.009 0.000 1.142 445 R CA 1.599 57.705 56.100 0.008 0.000 0.960 445 R CB -0.235 30.069 30.300 0.007 0.000 0.858 445 R HN 0.391 nan 8.270 nan 0.000 0.439 446 A N 0.470 123.296 122.820 0.009 0.000 1.930 446 A HA -0.135 4.185 4.320 -0.000 0.000 0.217 446 A C 2.053 179.644 177.584 0.012 0.000 1.175 446 A CA 1.298 53.341 52.037 0.010 0.000 0.627 446 A CB -0.353 18.654 19.000 0.011 0.000 0.815 446 A HN 0.337 nan 8.150 nan 0.000 0.443 447 M N -0.423 119.184 119.600 0.012 0.000 2.706 447 M HA -0.121 4.359 4.480 -0.000 0.000 0.251 447 M C 1.280 177.588 176.300 0.015 0.000 1.070 447 M CA 0.981 56.289 55.300 0.014 0.000 1.073 447 M CB -0.228 32.380 32.600 0.014 0.000 1.449 447 M HN 0.475 nan 8.290 nan 0.000 0.531 448 E N -0.131 120.077 120.200 0.013 0.000 2.447 448 E HA 0.061 4.411 4.350 -0.000 0.000 0.195 448 E C 2.054 178.661 176.600 0.012 0.000 1.028 448 E CA 0.341 56.749 56.400 0.013 0.000 0.876 448 E CB 0.131 29.838 29.700 0.012 0.000 0.885 448 E HN 0.486 nan 8.360 nan 0.000 0.500 449 A N 2.556 125.382 122.820 0.011 0.000 1.869 449 A HA -0.188 4.132 4.320 -0.000 0.000 0.218 449 A C -0.339 177.251 177.584 0.011 0.000 1.203 449 A CA 1.620 53.663 52.037 0.010 0.000 0.638 449 A CB -1.680 17.326 19.000 0.010 0.000 0.831 449 A HN 0.123 nan 8.150 nan 0.000 0.450 450 P HA -0.213 nan 4.420 nan 0.000 0.217 450 P C 1.833 179.141 177.300 0.013 0.000 1.162 450 P CA 1.360 64.468 63.100 0.012 0.000 0.901 450 P CB -0.150 31.557 31.700 0.013 0.000 0.793 451 L N -1.028 120.204 121.223 0.016 0.000 2.005 451 L HA -0.168 4.172 4.340 -0.000 0.000 0.207 451 L C 2.510 179.390 176.870 0.017 0.000 1.072 451 L CA 1.687 56.539 54.840 0.021 0.000 0.744 451 L CB -0.342 41.729 42.059 0.021 0.000 0.895 451 L HN -0.181 nan 8.230 nan 0.000 0.433 452 R N -0.721 119.784 120.500 0.009 0.000 2.170 452 R HA -0.261 4.079 4.340 -0.000 0.000 0.242 452 R C 2.195 178.499 176.300 0.007 0.000 1.145 452 R CA 1.746 57.848 56.100 0.003 0.000 0.984 452 R CB -0.199 30.102 30.300 0.002 0.000 0.869 452 R HN 0.425 nan 8.270 nan 0.000 0.455 453 Q N 0.778 120.584 119.800 0.010 0.000 2.062 453 Q HA -0.009 4.331 4.340 -0.000 0.000 0.196 453 Q C 1.812 177.821 176.000 0.014 0.000 0.967 453 Q CA 1.300 57.109 55.803 0.010 0.000 0.832 453 Q CB -0.003 28.740 28.738 0.008 0.000 0.899 453 Q HN 0.291 nan 8.270 nan 0.000 0.442 454 I N -0.423 120.158 120.570 0.018 0.000 2.151 454 I HA -0.307 3.862 4.170 -0.000 0.000 0.243 454 I C 2.125 178.265 176.117 0.039 0.000 1.080 454 I CA 1.114 62.428 61.300 0.022 0.000 1.339 454 I CB -0.489 37.525 38.000 0.024 0.000 1.039 454 I HN 0.084 nan 8.210 nan 0.000 0.409 455 V N 0.688 120.634 119.914 0.053 0.000 2.255 455 V HA -0.299 3.821 4.120 -0.000 0.000 0.247 455 V C 2.432 178.548 176.094 0.038 0.000 1.051 455 V CA 1.960 64.300 62.300 0.066 0.000 1.018 455 V CB -0.516 31.318 31.823 0.018 0.000 0.641 455 V HN 0.351 nan 8.190 nan 0.000 0.445 456 L N 0.850 122.085 121.223 0.020 0.000 2.012 456 L HA -0.195 4.145 4.340 -0.000 0.000 0.210 456 L C 2.182 179.061 176.870 0.015 0.000 1.073 456 L CA 2.014 56.862 54.840 0.014 0.000 0.748 456 L CB -1.164 40.900 42.059 0.008 0.000 0.891 456 L HN 0.354 nan 8.230 nan 0.000 0.431 457 N N -0.969 117.739 118.700 0.014 0.000 2.348 457 N HA -0.163 4.577 4.740 -0.000 0.000 0.185 457 N C 1.401 176.918 175.510 0.013 0.000 1.019 457 N CA 1.561 54.617 53.050 0.010 0.000 0.880 457 N CB -0.567 37.924 38.487 0.007 0.000 0.965 457 N HN 0.433 nan 8.380 nan 0.000 0.437 458 C N 0.232 119.546 119.300 0.023 0.000 2.559 458 C HA 0.342 4.802 4.460 -0.000 0.000 0.300 458 C C 1.461 176.469 174.990 0.030 0.000 1.288 458 C CA -0.446 58.589 59.018 0.027 0.000 1.699 458 C CB -1.184 26.583 27.740 0.044 0.000 1.819 458 C HN 0.534 nan 8.230 nan 0.000 0.600 459 G N 1.879 110.692 108.800 0.022 0.000 2.305 459 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.287 459 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.287 459 G C 0.021 174.936 174.900 0.025 0.000 1.036 459 G CA 0.379 45.490 45.100 0.020 0.000 0.887 459 G HN 0.540 nan 8.290 nan 0.000 0.505 460 E N -0.844 119.373 120.200 0.028 0.000 2.803 460 E HA 0.601 4.951 4.350 -0.000 0.000 0.250 460 E C 0.280 176.883 176.600 0.006 0.000 1.102 460 E CA -0.930 55.484 56.400 0.024 0.000 1.017 460 E CB 0.551 30.269 29.700 0.030 0.000 1.346 460 E HN 0.092 nan 8.360 nan 0.000 0.532 461 K N 1.425 121.820 120.400 -0.009 0.000 2.414 461 K HA 0.301 4.621 4.320 -0.000 0.000 0.251 461 K C -2.239 174.341 176.600 -0.034 0.000 1.037 461 K CA -2.250 54.028 56.287 -0.014 0.000 0.980 461 K CB 0.885 33.380 32.500 -0.009 0.000 1.280 461 K HN 0.001 nan 8.250 nan 0.000 0.451 462 P HA -0.202 nan 4.420 nan 0.000 0.215 462 P C 0.791 178.070 177.300 -0.034 0.000 1.163 462 P CA 1.200 64.281 63.100 -0.032 0.000 0.894 462 P CB 0.325 32.017 31.700 -0.014 0.000 0.791 463 S N -0.931 114.757 115.700 -0.020 0.000 2.353 463 S HA -0.149 4.321 4.470 -0.000 0.000 0.222 463 S C 1.950 176.540 174.600 -0.017 0.000 1.035 463 S CA 1.572 59.763 58.200 -0.014 0.000 1.025 463 S CB -1.256 61.940 63.200 -0.008 0.000 0.902 463 S HN -0.115 nan 8.310 nan 0.000 0.440 464 V N 1.541 121.444 119.914 -0.019 0.000 2.231 464 V HA -0.213 3.907 4.120 -0.000 0.000 0.250 464 V C 2.324 178.410 176.094 -0.015 0.000 1.058 464 V CA 2.041 64.333 62.300 -0.014 0.000 1.022 464 V CB -1.039 30.777 31.823 -0.012 0.000 0.640 464 V HN 0.378 nan 8.190 nan 0.000 0.445 465 V N 0.201 120.073 119.914 -0.070 0.000 2.469 465 V HA -0.276 3.844 4.120 -0.000 0.000 0.251 465 V C 2.599 178.647 176.094 -0.077 0.000 1.064 465 V CA 2.052 64.256 62.300 -0.160 0.000 1.066 465 V CB -1.245 30.306 31.823 -0.453 0.000 0.667 465 V HN 0.583 nan 8.190 nan 0.000 0.461 466 A N 0.428 123.223 122.820 -0.042 0.000 1.874 466 A HA -0.188 4.132 4.320 -0.000 0.000 0.214 466 A C 2.055 179.659 177.584 0.033 0.000 1.189 466 A CA 1.857 53.892 52.037 -0.003 0.000 0.615 466 A CB -0.738 18.259 19.000 -0.004 0.000 0.830 466 A HN 0.639 nan 8.150 nan 0.000 0.443 467 N N -0.369 118.347 118.700 0.027 0.000 2.104 467 N HA -0.131 4.609 4.740 -0.000 0.000 0.190 467 N C 1.654 177.200 175.510 0.061 0.000 1.024 467 N CA 1.864 54.934 53.050 0.034 0.000 0.853 467 N CB -0.319 38.178 38.487 0.016 0.000 1.008 467 N HN 0.479 nan 8.380 nan 0.000 0.424 468 T N 0.436 115.040 114.554 0.083 0.000 2.684 468 T HA -0.102 4.248 4.350 -0.000 0.000 0.267 468 T C 2.120 176.973 174.700 0.254 0.000 1.036 468 T CA 0.992 63.171 62.100 0.131 0.000 1.148 468 T CB -0.445 68.512 68.868 0.148 0.000 0.863 468 T HN 0.016 nan 8.240 nan 0.000 0.436 469 V N 1.421 121.488 119.914 0.255 0.000 2.515 469 V HA -0.113 4.007 4.120 -0.000 0.000 0.250 469 V C 2.364 178.587 176.094 0.215 0.000 1.058 469 V CA 1.409 63.872 62.300 0.272 0.000 1.064 469 V CB -0.505 31.404 31.823 0.143 0.000 0.675 469 V HN 0.461 nan 8.190 nan 0.000 0.461 470 K N 0.133 120.611 120.400 0.131 0.000 2.439 470 K HA -0.002 4.318 4.320 -0.000 0.000 0.197 470 K C 2.124 178.768 176.600 0.074 0.000 1.041 470 K CA 0.896 57.236 56.287 0.088 0.000 0.970 470 K CB -0.223 32.310 32.500 0.055 0.000 0.773 470 K HN 0.569 nan 8.250 nan 0.000 0.479 471 G N 1.276 110.125 108.800 0.083 0.000 2.394 471 G HA2 -0.087 3.873 3.960 -0.000 0.000 0.214 471 G HA3 -0.087 3.873 3.960 -0.000 0.000 0.214 471 G C 0.887 175.780 174.900 -0.012 0.000 1.176 471 G CA 0.565 45.681 45.100 0.027 0.000 0.786 471 G HN 0.367 nan 8.290 nan 0.000 0.533 472 G N -0.705 108.091 108.800 -0.007 0.000 2.529 472 G HA2 0.403 4.363 3.960 -0.000 0.000 0.277 472 G HA3 0.403 4.363 3.960 -0.000 0.000 0.277 472 G C -0.970 173.927 174.900 -0.004 0.000 1.383 472 G CA 0.246 45.248 45.100 -0.163 0.000 1.050 472 G HN 0.323 nan 8.290 nan 0.000 0.526 473 D N -3.675 116.727 120.400 0.003 0.000 2.583 473 D HA 0.534 5.174 4.640 -0.000 0.000 0.248 473 D C 0.582 176.935 176.300 0.088 0.000 1.209 473 D CA 1.110 55.137 54.000 0.045 0.000 0.848 473 D CB 1.490 42.292 40.800 0.004 0.000 1.431 473 D HN 1.214 nan 8.370 nan 0.000 0.436 474 G N 1.659 110.505 108.800 0.076 0.000 2.509 474 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.259 474 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.259 474 G C 0.067 175.028 174.900 0.100 0.000 1.169 474 G CA 0.245 45.392 45.100 0.078 0.000 0.953 474 G HN 0.584 nan 8.290 nan 0.000 0.563 475 N N 0.141 118.904 118.700 0.105 0.000 2.376 475 N HA 0.341 5.081 4.740 -0.000 0.000 0.249 475 N C -0.177 175.409 175.510 0.127 0.000 1.140 475 N CA -0.064 53.041 53.050 0.092 0.000 0.870 475 N CB 0.335 38.857 38.487 0.058 0.000 1.124 475 N HN 0.539 nan 8.380 nan 0.000 0.505 476 Y N 1.154 121.486 120.300 0.053 0.000 2.587 476 Y HA 0.403 4.953 4.550 -0.000 0.000 0.344 476 Y C 0.881 176.840 175.900 0.099 0.000 1.061 476 Y CA -0.261 57.886 58.100 0.078 0.000 1.370 476 Y CB -0.225 38.283 38.460 0.080 0.000 1.163 476 Y HN 0.122 nan 8.280 nan 0.000 0.527 477 G N 4.135 112.773 108.800 -0.271 0.000 3.252 477 G HA2 0.292 4.252 3.960 -0.000 0.000 0.181 477 G HA3 0.292 4.252 3.960 -0.000 0.000 0.181 477 G C -2.160 172.586 174.900 -0.257 0.000 1.187 477 G CA -0.707 44.281 45.100 -0.186 0.000 0.886 477 G HN 0.490 nan 8.290 nan 0.000 0.615 478 Y N 1.143 121.237 120.300 -0.343 0.000 2.400 478 Y HA 0.421 4.971 4.550 0.000 0.000 0.335 478 Y C -0.424 175.288 175.900 -0.315 0.000 1.066 478 Y CA -1.426 56.376 58.100 -0.495 0.000 1.285 478 Y CB 0.900 38.990 38.460 -0.617 0.000 1.103 478 Y HN 0.416 nan 8.280 nan 0.000 0.490 479 N N 4.399 122.758 118.700 -0.568 0.000 2.400 479 N HA 0.064 4.804 4.740 -0.000 0.000 0.278 479 N C 0.843 175.877 175.510 -0.794 0.000 1.247 479 N CA 0.925 53.685 53.050 -0.483 0.000 0.970 479 N CB 1.153 39.453 38.487 -0.312 0.000 1.312 479 N HN 0.837 nan 8.380 nan 0.000 0.488 480 A N 3.525 125.923 122.820 -0.702 0.000 2.172 480 A HA 0.009 4.329 4.320 -0.000 0.000 0.216 480 A C 1.975 179.349 177.584 -0.351 0.000 1.154 480 A CA 1.307 52.958 52.037 -0.644 0.000 0.701 480 A CB -0.304 18.572 19.000 -0.206 0.000 0.789 480 A HN 0.715 nan 8.150 nan 0.000 0.465 481 A N -0.500 122.151 122.820 -0.282 0.000 2.016 481 A HA 0.075 4.395 4.320 -0.000 0.000 0.217 481 A C 1.942 179.431 177.584 -0.158 0.000 1.162 481 A CA 1.873 53.808 52.037 -0.170 0.000 0.662 481 A CB -0.456 18.466 19.000 -0.130 0.000 0.812 481 A HN 0.807 nan 8.150 nan 0.000 0.450 482 T N -4.041 110.384 114.554 -0.215 0.000 3.231 482 T HA 0.378 4.728 4.350 -0.000 0.000 0.292 482 T C 0.031 174.637 174.700 -0.157 0.000 1.001 482 T CA 0.536 62.546 62.100 -0.150 0.000 0.920 482 T CB -0.172 68.627 68.868 -0.115 0.000 1.140 482 T HN 0.393 nan 8.240 nan 0.000 0.525 483 E N 0.916 120.960 120.200 -0.259 0.000 2.670 483 E HA -0.225 4.125 4.350 -0.000 0.000 0.257 483 E C -0.328 176.269 176.600 -0.004 0.000 1.186 483 E CA 1.246 57.565 56.400 -0.134 0.000 0.734 483 E CB -1.568 28.172 29.700 0.067 0.000 1.325 483 E HN 0.804 nan 8.360 nan 0.000 0.426 484 E N -0.068 120.047 120.200 -0.142 0.000 2.176 484 E HA 0.314 4.664 4.350 -0.000 0.000 0.267 484 E C -0.447 176.160 176.600 0.011 0.000 0.893 484 E CA -0.821 55.612 56.400 0.055 0.000 0.761 484 E CB 0.884 30.606 29.700 0.037 0.000 1.133 484 E HN 0.029 nan 8.360 nan 0.000 0.409 485 Y N 1.126 121.455 120.300 0.049 0.000 2.258 485 Y HA 0.510 5.060 4.550 -0.000 0.000 0.345 485 Y C 1.343 177.171 175.900 -0.120 0.000 1.303 485 Y CA 0.488 58.545 58.100 -0.072 0.000 1.537 485 Y CB 0.769 39.188 38.460 -0.069 0.000 1.383 485 Y HN 0.739 nan 8.280 nan 0.000 0.606 486 G N 0.021 108.735 108.800 -0.144 0.000 2.339 486 G HA2 -0.064 3.896 3.960 -0.000 0.000 0.275 486 G HA3 -0.064 3.896 3.960 -0.000 0.000 0.275 486 G C -1.638 173.256 174.900 -0.010 0.000 1.323 486 G CA -1.112 44.007 45.100 0.031 0.000 0.927 486 G HN 0.637 nan 8.290 nan 0.000 0.486 487 N N 0.989 119.733 118.700 0.072 0.000 2.430 487 N HA 0.212 4.952 4.740 -0.000 0.000 0.265 487 N C 1.678 177.191 175.510 0.005 0.000 1.100 487 N CA -0.478 52.610 53.050 0.063 0.000 0.961 487 N CB 0.914 39.446 38.487 0.075 0.000 1.075 487 N HN 0.398 nan 8.380 nan 0.000 0.478 488 M N 3.483 123.076 119.600 -0.011 0.000 2.132 488 M HA -0.109 4.371 4.480 -0.000 0.000 0.263 488 M C 1.649 177.939 176.300 -0.016 0.000 1.065 488 M CA 0.944 56.225 55.300 -0.031 0.000 1.122 488 M CB -0.586 31.995 32.600 -0.031 0.000 1.365 488 M HN 0.545 nan 8.290 nan 0.000 0.411 489 I N 0.551 121.122 120.570 0.002 0.000 2.226 489 I HA -0.256 3.914 4.170 -0.000 0.000 0.245 489 I C 1.709 177.827 176.117 0.002 0.000 1.100 489 I CA 1.567 62.870 61.300 0.004 0.000 1.374 489 I CB -1.556 36.452 38.000 0.013 0.000 1.057 489 I HN 0.220 nan 8.210 nan 0.000 0.413 490 D N 0.378 120.783 120.400 0.007 0.000 2.178 490 D HA -0.106 4.534 4.640 -0.000 0.000 0.202 490 D C 2.288 178.586 176.300 -0.004 0.000 0.974 490 D CA 0.925 54.929 54.000 0.007 0.000 0.841 490 D CB -0.108 40.703 40.800 0.018 0.000 0.953 490 D HN 0.254 nan 8.370 nan 0.000 0.478 491 M N -1.025 118.566 119.600 -0.014 0.000 2.562 491 M HA 0.114 4.594 4.480 -0.000 0.000 0.257 491 M C 1.023 177.305 176.300 -0.031 0.000 1.099 491 M CA 0.811 56.094 55.300 -0.028 0.000 1.099 491 M CB 0.394 32.963 32.600 -0.050 0.000 1.427 491 M HN 0.161 nan 8.290 nan 0.000 0.489 492 G N 1.772 110.557 108.800 -0.024 0.000 2.132 492 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.228 492 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.228 492 G C -0.022 174.861 174.900 -0.029 0.000 1.000 492 G CA -0.454 44.633 45.100 -0.022 0.000 0.693 492 G HN 0.471 nan 8.290 nan 0.000 0.515 493 I N 1.213 121.762 120.570 -0.035 0.000 2.388 493 I HA 0.516 4.686 4.170 -0.000 0.000 0.281 493 I C 0.185 176.286 176.117 -0.026 0.000 1.046 493 I CA -0.831 60.445 61.300 -0.040 0.000 1.187 493 I CB 0.585 38.547 38.000 -0.064 0.000 1.351 493 I HN 0.234 nan 8.210 nan 0.000 0.472 494 L N 3.637 124.850 121.223 -0.017 0.000 2.403 494 L HA 0.807 5.147 4.340 -0.000 0.000 0.253 494 L C -1.389 175.479 176.870 -0.003 0.000 1.045 494 L CA -0.692 54.143 54.840 -0.007 0.000 0.845 494 L CB 1.672 43.730 42.059 -0.002 0.000 1.447 494 L HN 0.032 nan 8.230 nan 0.000 0.411 495 D N -0.357 120.045 120.400 0.003 0.000 2.879 495 D HA 0.438 5.078 4.640 -0.000 0.000 0.236 495 D C -2.820 173.487 176.300 0.012 0.000 1.171 495 D CA -1.136 52.868 54.000 0.007 0.000 0.868 495 D CB 2.576 43.380 40.800 0.007 0.000 1.598 495 D HN 0.371 nan 8.370 nan 0.000 0.497 496 P HA 0.025 nan 4.420 nan 0.000 0.263 496 P C 0.921 178.233 177.300 0.019 0.000 1.195 496 P CA 0.219 63.330 63.100 0.019 0.000 0.762 496 P CB 0.577 32.293 31.700 0.026 0.000 0.799 497 T N 2.933 117.497 114.554 0.017 0.000 2.721 497 T HA -0.252 4.098 4.350 -0.000 0.000 0.268 497 T C 1.610 176.321 174.700 0.018 0.000 1.038 497 T CA 1.433 63.543 62.100 0.016 0.000 1.145 497 T CB -0.320 68.556 68.868 0.014 0.000 0.858 497 T HN 0.501 nan 8.240 nan 0.000 0.459 498 K N 0.781 121.194 120.400 0.022 0.000 2.152 498 K HA -0.100 4.220 4.320 -0.000 0.000 0.206 498 K C 2.372 178.993 176.600 0.035 0.000 1.048 498 K CA 1.369 57.672 56.287 0.027 0.000 0.933 498 K CB -0.208 32.312 32.500 0.033 0.000 0.721 498 K HN 0.402 nan 8.250 nan 0.000 0.447 499 V N -1.288 118.645 119.914 0.033 0.000 2.535 499 V HA -0.096 4.024 4.120 -0.000 0.000 0.246 499 V C 1.730 177.846 176.094 0.038 0.000 1.045 499 V CA 1.918 64.241 62.300 0.039 0.000 1.058 499 V CB -0.404 31.435 31.823 0.027 0.000 0.689 499 V HN 0.207 nan 8.190 nan 0.000 0.461 500 T N 0.778 115.348 114.554 0.027 0.000 2.708 500 T HA -0.159 4.191 4.350 -0.000 0.000 0.266 500 T C 1.962 176.675 174.700 0.022 0.000 1.037 500 T CA 2.190 64.305 62.100 0.023 0.000 1.146 500 T CB -0.405 68.473 68.868 0.018 0.000 0.865 500 T HN 0.619 nan 8.240 nan 0.000 0.435 501 R N 0.922 121.431 120.500 0.015 0.000 2.083 501 R HA -0.120 4.220 4.340 -0.000 0.000 0.237 501 R C 2.539 178.834 176.300 -0.009 0.000 1.137 501 R CA 1.901 58.001 56.100 -0.001 0.000 0.951 501 R CB -0.418 29.878 30.300 -0.007 0.000 0.851 501 R HN 0.234 nan 8.270 nan 0.000 0.434 502 S N 0.508 116.222 115.700 0.023 0.000 2.343 502 S HA -0.150 4.320 4.470 -0.000 0.000 0.219 502 S C 2.062 176.752 174.600 0.149 0.000 1.033 502 S CA 1.222 59.465 58.200 0.072 0.000 1.014 502 S CB -0.444 62.861 63.200 0.174 0.000 0.915 502 S HN 0.598 nan 8.310 nan 0.000 0.435 503 A N 1.370 124.267 122.820 0.128 0.000 1.903 503 A HA -0.175 4.145 4.320 -0.000 0.000 0.219 503 A C 2.165 179.805 177.584 0.094 0.000 1.191 503 A CA 1.877 53.985 52.037 0.119 0.000 0.638 503 A CB -0.916 18.123 19.000 0.065 0.000 0.823 503 A HN 0.410 nan 8.150 nan 0.000 0.451 504 L N -0.227 121.023 121.223 0.045 0.000 1.976 504 L HA -0.206 4.134 4.340 -0.000 0.000 0.209 504 L C 2.693 179.562 176.870 -0.002 0.000 1.071 504 L CA 2.428 57.280 54.840 0.021 0.000 0.746 504 L CB -0.792 41.269 42.059 0.004 0.000 0.890 504 L HN 0.519 nan 8.230 nan 0.000 0.432 505 Q N -1.467 118.296 119.800 -0.062 0.000 2.077 505 Q HA -0.273 4.067 4.340 -0.000 0.000 0.206 505 Q C 2.236 178.147 176.000 -0.147 0.000 0.989 505 Q CA 2.231 57.946 55.803 -0.148 0.000 0.853 505 Q CB -0.586 27.985 28.738 -0.280 0.000 0.907 505 Q HN 0.515 nan 8.270 nan 0.000 0.418 506 Y N 0.539 120.839 120.300 0.001 0.000 2.163 506 Y HA -0.179 4.371 4.550 -0.000 0.000 0.288 506 Y C 2.567 178.467 175.900 0.001 0.000 1.136 506 Y CA 0.950 59.050 58.100 -0.000 0.000 1.147 506 Y CB -0.882 37.577 38.460 -0.002 0.000 0.987 506 Y HN 0.140 nan 8.280 nan 0.000 0.509 507 A N 0.110 123.028 122.820 0.163 0.000 1.883 507 A HA -0.209 4.111 4.320 -0.000 0.000 0.217 507 A C 2.473 180.095 177.584 0.063 0.000 1.186 507 A CA 2.254 54.346 52.037 0.092 0.000 0.624 507 A CB -1.366 17.672 19.000 0.063 0.000 0.822 507 A HN 0.414 nan 8.150 nan 0.000 0.444 508 A N -0.984 121.861 122.820 0.041 0.000 1.972 508 A HA -0.092 4.228 4.320 -0.000 0.000 0.219 508 A C 2.427 180.026 177.584 0.025 0.000 1.169 508 A CA 2.170 54.219 52.037 0.022 0.000 0.635 508 A CB -0.890 18.111 19.000 0.001 0.000 0.810 508 A HN 0.571 nan 8.150 nan 0.000 0.446 509 S N -0.827 114.897 115.700 0.039 0.000 2.344 509 S HA -0.158 4.312 4.470 -0.000 0.000 0.217 509 S C 2.013 176.644 174.600 0.052 0.000 1.033 509 S CA 1.811 60.038 58.200 0.046 0.000 1.017 509 S CB -0.693 62.557 63.200 0.083 0.000 0.941 509 S HN 0.691 nan 8.310 nan 0.000 0.430 510 V N 2.050 122.005 119.914 0.068 0.000 2.343 510 V HA -0.074 4.046 4.120 -0.000 0.000 0.247 510 V C 2.545 178.660 176.094 0.035 0.000 1.051 510 V CA 2.261 64.591 62.300 0.050 0.000 1.036 510 V CB -1.271 30.581 31.823 0.049 0.000 0.654 510 V HN 0.594 nan 8.190 nan 0.000 0.451 511 A N 0.209 123.049 122.820 0.034 0.000 1.892 511 A HA -0.105 4.215 4.320 -0.000 0.000 0.218 511 A C 2.404 180.000 177.584 0.021 0.000 1.188 511 A CA 2.239 54.291 52.037 0.025 0.000 0.631 511 A CB -1.606 17.407 19.000 0.023 0.000 0.822 511 A HN 0.712 nan 8.150 nan 0.000 0.447 512 G N -0.216 108.597 108.800 0.021 0.000 2.459 512 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.217 512 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.217 512 G C 1.574 176.485 174.900 0.018 0.000 1.183 512 G CA 1.069 46.179 45.100 0.017 0.000 0.776 512 G HN 0.437 nan 8.290 nan 0.000 0.552 513 L N -0.295 120.941 121.223 0.022 0.000 2.013 513 L HA -0.154 4.186 4.340 -0.000 0.000 0.212 513 L C 3.137 180.019 176.870 0.021 0.000 1.073 513 L CA 1.472 56.325 54.840 0.022 0.000 0.753 513 L CB -0.376 41.699 42.059 0.026 0.000 0.890 513 L HN 0.249 nan 8.230 nan 0.000 0.432 514 M N -0.688 118.924 119.600 0.021 0.000 2.132 514 M HA -0.199 4.281 4.480 -0.000 0.000 0.263 514 M C 2.255 178.564 176.300 0.016 0.000 1.065 514 M CA 1.717 57.028 55.300 0.019 0.000 1.122 514 M CB -0.283 32.329 32.600 0.019 0.000 1.365 514 M HN 0.191 nan 8.290 nan 0.000 0.411 515 I N -0.112 120.467 120.570 0.015 0.000 2.454 515 I HA -0.208 3.962 4.170 -0.000 0.000 0.254 515 I C 1.613 177.739 176.117 0.015 0.000 1.156 515 I CA 1.357 62.665 61.300 0.013 0.000 1.433 515 I CB -0.675 37.333 38.000 0.012 0.000 1.082 515 I HN 0.395 nan 8.210 nan 0.000 0.432 516 T N -3.013 111.551 114.554 0.017 0.000 3.251 516 T HA 0.188 4.538 4.350 -0.000 0.000 0.259 516 T C 0.412 175.125 174.700 0.022 0.000 0.998 516 T CA -0.346 61.765 62.100 0.018 0.000 0.905 516 T CB -0.328 68.551 68.868 0.017 0.000 1.067 516 T HN -0.073 nan 8.240 nan 0.000 0.569 517 T N 1.807 116.374 114.554 0.021 0.000 2.829 517 T HA 0.407 4.757 4.350 -0.000 0.000 0.282 517 T C 0.458 175.176 174.700 0.029 0.000 0.990 517 T CA -0.596 61.518 62.100 0.023 0.000 1.028 517 T CB 1.814 70.691 68.868 0.016 0.000 0.951 517 T HN 0.078 nan 8.240 nan 0.000 0.460 518 E N 0.277 120.503 120.200 0.044 0.000 2.541 518 E HA 0.198 4.548 4.350 -0.000 0.000 0.219 518 E C -0.260 176.396 176.600 0.093 0.000 0.922 518 E CA 0.062 56.510 56.400 0.080 0.000 1.095 518 E CB 0.842 30.607 29.700 0.109 0.000 1.112 518 E HN 0.566 nan 8.360 nan 0.000 0.516 519 C N 0.722 120.025 119.300 0.005 0.000 2.891 519 C HA 0.660 5.120 4.460 -0.000 0.000 0.342 519 C C -1.324 173.581 174.990 -0.141 0.000 1.126 519 C CA -0.572 58.351 59.018 -0.158 0.000 1.322 519 C CB 0.398 28.062 27.740 -0.127 0.000 1.763 519 C HN 0.123 nan 8.230 nan 0.000 0.491 520 M N 5.101 124.588 119.600 -0.190 0.000 2.326 520 M HA 0.612 5.092 4.480 -0.000 0.000 0.306 520 M C -1.077 175.254 176.300 0.051 0.000 1.054 520 M CA -0.584 54.718 55.300 0.004 0.000 0.922 520 M CB 2.137 34.832 32.600 0.159 0.000 1.632 520 M HN 0.399 nan 8.290 nan 0.000 0.436 521 V N 1.631 121.571 119.914 0.043 0.000 2.531 521 V HA 0.744 4.864 4.120 -0.000 0.000 0.301 521 V C -0.346 175.726 176.094 -0.037 0.000 1.034 521 V CA -0.315 61.993 62.300 0.015 0.000 0.865 521 V CB 2.066 33.878 31.823 -0.019 0.000 0.995 521 V HN 0.958 nan 8.190 nan 0.000 0.424 522 T N 2.472 116.960 114.554 -0.111 0.000 2.787 522 T HA 0.423 4.772 4.350 -0.000 0.000 0.297 522 T C -1.259 173.331 174.700 -0.184 0.000 1.221 522 T CA -0.557 61.413 62.100 -0.218 0.000 1.006 522 T CB 1.847 70.433 68.868 -0.470 0.000 1.328 522 T HN 0.655 nan 8.240 nan 0.000 0.509 523 D N 1.188 121.488 120.400 -0.167 0.000 2.362 523 D HA 0.404 5.044 4.640 -0.000 0.000 0.242 523 D C -0.359 175.867 176.300 -0.123 0.000 1.132 523 D CA -0.193 53.738 54.000 -0.114 0.000 0.907 523 D CB 0.456 41.204 40.800 -0.087 0.000 1.195 523 D HN 0.180 nan 8.370 nan 0.000 0.429 524 L N 3.413 124.595 121.223 -0.069 0.000 2.367 524 L HA 0.301 4.641 4.340 -0.000 0.000 0.275 524 L C -1.548 175.295 176.870 -0.045 0.000 1.129 524 L CA -1.228 53.584 54.840 -0.046 0.000 0.839 524 L CB -0.019 42.030 42.059 -0.016 0.000 1.133 524 L HN 0.420 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