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 1hr7_1_E DATA FIRST_RESID 14 DATA SEQUENCE ARTDNFKLSS LANGLKVATS NTPGHFSALG LYIDAGSRFE GRNLKGCTHI DATA SEQUENCE LDRLAFKSTE HVEGRAMAET LELLGGNYQC TSSRENLMYQ ASVFNQDVGK DATA SEQUENCE MLQLMSETVR FPKITEQELQ EQKLSAEYEI DEVWMKPELV LPELLHTAAY DATA SEQUENCE SGETLGSPLI CPRGLIPSIS KYYLLDYRNK FYTPENTVAA FVGVPHEKAL DATA SEQUENCE ELTGKYLGDW QSTHPPITKK VAQYTGGESC IPPAPVFGNL PELFHIQIGF DATA SEQUENCE EGLPIDHPDI YALATLQTLL GGGGSXXXXX XXKGMYSRLY THVLNQYYFV DATA SEQUENCE ENCVAFNHSY SDSGIFGISL SCIPQAAPQA VEVIAQQMYN TFANKDLRLT DATA SEQUENCE EDEVSRAKNQ LKSSLLMNLE SKLVELEDMG RQVLMHGRKI PVNEMISKIE DATA SEQUENCE DLKPDDISRV AEMIFTGNVN NAGNGKGRAT VVMQGDRGSF GDVENVLKAY DATA SEQUENCE GLGNS 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 14 A HA 0.000 nan 4.320 nan 0.000 0.244 14 A C 0.000 177.667 177.584 0.139 0.000 1.274 14 A CA 0.000 52.132 52.037 0.158 0.000 0.836 14 A CB 0.000 19.034 19.000 0.056 0.000 0.831 15 R N -0.758 119.787 120.500 0.075 0.000 2.024 15 R HA 0.153 4.493 4.340 -0.000 0.000 0.216 15 R C 2.020 178.349 176.300 0.047 0.000 1.259 15 R CA 1.459 57.590 56.100 0.053 0.000 1.001 15 R CB -0.693 29.626 30.300 0.031 0.000 0.881 15 R HN 0.579 nan 8.270 nan 0.000 0.459 16 T N 1.851 116.426 114.554 0.035 0.000 2.881 16 T HA -0.106 4.244 4.350 -0.000 0.000 0.270 16 T C 1.037 175.763 174.700 0.043 0.000 1.068 16 T CA 1.359 63.476 62.100 0.030 0.000 1.131 16 T CB -0.333 68.546 68.868 0.018 0.000 0.871 16 T HN 0.226 nan 8.240 nan 0.000 0.479 17 D N 1.236 121.673 120.400 0.061 0.000 2.158 17 D HA -0.140 4.500 4.640 -0.000 0.000 0.197 17 D C 1.278 177.643 176.300 0.108 0.000 0.995 17 D CA 1.152 55.203 54.000 0.086 0.000 0.846 17 D CB -0.382 40.490 40.800 0.121 0.000 0.941 17 D HN 0.403 nan 8.370 nan 0.000 0.456 18 N N -1.288 117.476 118.700 0.107 0.000 2.862 18 N HA -0.233 4.507 4.740 -0.000 0.000 0.248 18 N C -0.837 174.738 175.510 0.109 0.000 1.116 18 N CA 0.106 53.201 53.050 0.075 0.000 0.727 18 N CB -2.118 36.400 38.487 0.052 0.000 1.083 18 N HN 0.142 nan 8.380 nan 0.000 0.555 19 F N 1.639 121.586 119.950 -0.005 0.000 2.467 19 F HA 0.497 5.024 4.527 -0.000 0.000 0.362 19 F C 0.334 176.105 175.800 -0.049 0.000 1.090 19 F CA 0.081 58.079 58.000 -0.003 0.000 1.202 19 F CB 0.535 39.538 39.000 0.005 0.000 1.113 19 F HN 0.076 nan 8.300 nan 0.000 0.541 20 K N 6.338 126.219 120.400 -0.866 0.000 2.464 20 K HA 0.676 4.996 4.320 -0.000 0.000 0.253 20 K C -2.001 173.983 176.600 -1.027 0.000 0.933 20 K CA -1.100 54.611 56.287 -0.959 0.000 0.801 20 K CB 2.613 34.579 32.500 -0.890 0.000 1.271 20 K HN 0.607 nan 8.250 nan 0.000 0.430 21 L N 1.226 121.987 121.223 -0.769 0.000 2.464 21 L HA 0.580 4.919 4.340 -0.000 0.000 0.266 21 L C -1.336 175.488 176.870 -0.076 0.000 0.965 21 L CA 0.153 54.809 54.840 -0.305 0.000 0.833 21 L CB 2.071 43.988 42.059 -0.237 0.000 1.296 21 L HN 0.847 nan 8.230 nan 0.000 0.405 22 S N 1.701 117.475 115.700 0.123 0.000 2.705 22 S HA 0.895 5.365 4.470 -0.000 0.000 0.280 22 S C -1.015 173.644 174.600 0.099 0.000 1.174 22 S CA -0.826 57.441 58.200 0.112 0.000 0.823 22 S CB 1.646 64.954 63.200 0.180 0.000 1.162 22 S HN 0.591 nan 8.310 nan 0.000 0.487 23 S N 0.227 115.968 115.700 0.069 0.000 2.568 23 S HA 0.652 5.122 4.470 -0.000 0.000 0.293 23 S C -0.530 174.096 174.600 0.044 0.000 1.089 23 S CA -0.872 57.362 58.200 0.056 0.000 0.945 23 S CB 0.930 64.154 63.200 0.039 0.000 1.077 23 S HN 0.620 nan 8.310 nan 0.000 0.485 24 L N 1.427 122.677 121.223 0.044 0.000 2.454 24 L HA 0.429 4.769 4.340 -0.000 0.000 0.256 24 L C 1.747 178.632 176.870 0.024 0.000 1.136 24 L CA -0.628 54.235 54.840 0.038 0.000 0.804 24 L CB 0.337 42.429 42.059 0.056 0.000 1.181 24 L HN 0.899 nan 8.230 nan 0.000 0.469 25 A N 1.215 124.048 122.820 0.021 0.000 1.940 25 A HA -0.201 4.119 4.320 -0.000 0.000 0.219 25 A C 1.549 179.133 177.584 0.001 0.000 1.176 25 A CA 1.951 53.996 52.037 0.013 0.000 0.631 25 A CB -0.833 18.176 19.000 0.016 0.000 0.814 25 A HN 0.924 nan 8.150 nan 0.000 0.446 26 N N -1.057 117.641 118.700 -0.004 0.000 2.515 26 N HA 0.248 4.988 4.740 -0.000 0.000 0.191 26 N C 0.983 176.441 175.510 -0.086 0.000 1.182 26 N CA 1.245 54.267 53.050 -0.048 0.000 0.879 26 N CB -0.342 38.112 38.487 -0.054 0.000 0.984 26 N HN 0.810 nan 8.380 nan 0.000 0.453 27 G N -0.726 108.047 108.800 -0.045 0.000 2.195 27 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.246 27 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.246 27 G C -0.239 174.640 174.900 -0.036 0.000 0.984 27 G CA 0.154 45.224 45.100 -0.050 0.000 0.633 27 G HN 0.522 nan 8.290 nan 0.000 0.525 28 L N 1.876 123.089 121.223 -0.017 0.000 2.462 28 L HA 0.586 4.926 4.340 -0.000 0.000 0.272 28 L C 0.582 177.494 176.870 0.070 0.000 1.166 28 L CA -0.078 54.784 54.840 0.036 0.000 0.880 28 L CB 0.291 42.415 42.059 0.109 0.000 1.142 28 L HN 0.195 nan 8.230 nan 0.000 0.473 29 K N 3.917 124.366 120.400 0.082 0.000 2.144 29 K HA 0.565 4.885 4.320 -0.000 0.000 0.270 29 K C -1.178 175.511 176.600 0.148 0.000 1.005 29 K CA -0.713 55.635 56.287 0.102 0.000 0.932 29 K CB 1.572 34.128 32.500 0.093 0.000 1.021 29 K HN 0.477 nan 8.250 nan 0.000 0.462 30 V N 1.912 121.924 119.914 0.163 0.000 2.483 30 V HA 0.516 4.636 4.120 -0.000 0.000 0.297 30 V C -0.773 175.479 176.094 0.263 0.000 1.027 30 V CA -0.885 61.547 62.300 0.220 0.000 0.855 30 V CB 1.448 33.349 31.823 0.130 0.000 0.995 30 V HN 0.890 nan 8.190 nan 0.000 0.424 31 A N 3.594 126.602 122.820 0.312 0.000 2.355 31 A HA 0.968 5.288 4.320 -0.000 0.000 0.317 31 A C -0.052 177.763 177.584 0.384 0.000 1.094 31 A CA -0.434 51.783 52.037 0.300 0.000 0.764 31 A CB 1.723 20.926 19.000 0.339 0.000 1.230 31 A HN 0.931 nan 8.150 nan 0.000 0.448 32 T N -0.849 113.891 114.554 0.311 0.000 2.906 32 T HA 0.878 5.228 4.350 -0.000 0.000 0.295 32 T C -0.235 174.620 174.700 0.259 0.000 1.061 32 T CA -0.063 62.229 62.100 0.320 0.000 1.000 32 T CB 1.540 70.583 68.868 0.291 0.000 1.103 32 T HN 1.950 nan 8.240 nan 0.000 0.486 33 S N 1.649 117.496 115.700 0.245 0.000 2.615 33 S HA 0.730 5.200 4.470 -0.000 0.000 0.269 33 S C -0.615 174.069 174.600 0.139 0.000 1.161 33 S CA -0.632 57.699 58.200 0.217 0.000 0.817 33 S CB 1.390 64.751 63.200 0.269 0.000 1.131 33 S HN 1.385 nan 8.310 nan 0.000 0.467 34 N N -0.590 118.173 118.700 0.105 0.000 6.832 34 N HA -0.160 4.580 4.740 -0.000 0.000 0.417 34 N C -0.469 175.066 175.510 0.042 0.000 0.938 34 N CA 1.522 54.607 53.050 0.059 0.000 1.317 34 N CB -1.317 37.196 38.487 0.042 0.000 0.820 34 N HN 1.509 nan 8.380 nan 0.000 0.305 35 T N -2.234 112.328 114.554 0.013 0.000 2.910 35 T HA 0.773 5.123 4.350 -0.000 0.000 0.287 35 T C -2.768 171.919 174.700 -0.021 0.000 1.050 35 T CA -1.268 60.833 62.100 0.001 0.000 1.011 35 T CB 1.648 70.511 68.868 -0.008 0.000 1.195 35 T HN 0.380 nan 8.240 nan 0.000 0.540 36 P HA 0.442 nan 4.420 nan 0.000 0.266 36 P C 0.071 177.310 177.300 -0.102 0.000 1.193 36 P CA 0.321 63.395 63.100 -0.043 0.000 0.770 36 P CB 0.214 31.896 31.700 -0.030 0.000 0.836 37 G N -0.002 108.717 108.800 -0.136 0.000 2.782 37 G HA2 0.159 4.119 3.960 -0.000 0.000 0.304 37 G HA3 0.159 4.119 3.960 -0.000 0.000 0.304 37 G C 0.237 174.994 174.900 -0.238 0.000 1.315 37 G CA -0.327 44.616 45.100 -0.262 0.000 0.791 37 G HN 0.496 nan 8.290 nan 0.000 0.519 38 H N -0.744 118.289 119.070 -0.063 0.000 2.518 38 H HA 0.084 4.640 4.556 -0.000 0.000 0.289 38 H C 0.508 176.014 175.328 0.296 0.000 1.051 38 H CA 1.789 57.906 56.048 0.115 0.000 1.280 38 H CB -0.215 29.657 29.762 0.184 0.000 1.380 38 H HN 0.393 nan 8.280 nan 0.000 0.566 39 F N -2.777 117.276 119.950 0.172 0.000 2.900 39 F HA 0.566 5.093 4.527 -0.000 0.000 0.321 39 F C -1.066 174.778 175.800 0.072 0.000 1.160 39 F CA -1.308 56.761 58.000 0.115 0.000 0.890 39 F CB 0.920 39.924 39.000 0.006 0.000 1.334 39 F HN -0.353 nan 8.300 nan 0.000 0.459 40 S N 0.049 115.951 115.700 0.337 0.000 2.726 40 S HA 0.987 5.457 4.470 -0.000 0.000 0.308 40 S C -0.925 173.846 174.600 0.285 0.000 1.115 40 S CA -0.346 57.989 58.200 0.225 0.000 0.965 40 S CB 1.720 65.041 63.200 0.202 0.000 1.145 40 S HN 1.144 nan 8.310 nan 0.000 0.532 41 A N 1.032 123.981 122.820 0.214 0.000 2.475 41 A HA 0.910 5.230 4.320 -0.000 0.000 0.301 41 A C -1.277 176.397 177.584 0.150 0.000 1.059 41 A CA -0.819 51.328 52.037 0.184 0.000 0.710 41 A CB 0.925 20.031 19.000 0.177 0.000 1.288 41 A HN 1.054 nan 8.150 nan 0.000 0.408 42 L N -1.098 120.174 121.223 0.083 0.000 2.622 42 L HA 1.041 5.381 4.340 -0.000 0.000 0.258 42 L C -0.331 176.505 176.870 -0.057 0.000 0.996 42 L CA -0.446 54.350 54.840 -0.074 0.000 0.858 42 L CB 1.856 43.846 42.059 -0.114 0.000 1.449 42 L HN 1.481 nan 8.230 nan 0.000 0.411 43 G N 1.020 109.741 108.800 -0.132 0.000 2.632 43 G HA2 0.577 4.537 3.960 -0.000 0.000 0.292 43 G HA3 0.577 4.537 3.960 -0.000 0.000 0.292 43 G C -2.101 172.683 174.900 -0.194 0.000 1.465 43 G CA -0.880 44.133 45.100 -0.145 0.000 0.824 43 G HN 0.645 nan 8.290 nan 0.000 0.509 44 L N 0.729 121.761 121.223 -0.319 0.000 2.313 44 L HA 0.526 4.866 4.340 -0.000 0.000 0.283 44 L C -1.154 175.506 176.870 -0.349 0.000 1.013 44 L CA -0.902 53.836 54.840 -0.170 0.000 0.816 44 L CB 1.634 43.603 42.059 -0.149 0.000 1.236 44 L HN 0.499 nan 8.230 nan 0.000 0.419 45 Y N 3.722 124.057 120.300 0.058 0.000 2.341 45 Y HA 0.558 5.108 4.550 -0.000 0.000 0.338 45 Y C 0.029 175.945 175.900 0.027 0.000 0.965 45 Y CA -0.627 57.504 58.100 0.052 0.000 1.108 45 Y CB 1.551 40.027 38.460 0.028 0.000 1.180 45 Y HN 0.344 nan 8.280 nan 0.000 0.458 46 I N 2.796 123.423 120.570 0.096 0.000 2.404 46 I HA 0.187 4.357 4.170 -0.000 0.000 0.293 46 I C -0.293 175.834 176.117 0.016 0.000 0.992 46 I CA -0.846 60.455 61.300 0.001 0.000 1.149 46 I CB 1.514 39.412 38.000 -0.169 0.000 1.315 46 I HN 0.532 nan 8.210 nan 0.000 0.446 47 D N 6.142 126.537 120.400 -0.009 0.000 2.545 47 D HA 0.440 5.080 4.640 -0.000 0.000 0.227 47 D C -0.314 175.900 176.300 -0.143 0.000 1.150 47 D CA 0.325 54.315 54.000 -0.016 0.000 1.046 47 D CB 0.162 40.934 40.800 -0.047 0.000 1.098 47 D HN 0.642 nan 8.370 nan 0.000 0.502 48 A N 0.790 123.594 122.820 -0.027 0.000 2.525 48 A HA 0.988 5.308 4.320 -0.000 0.000 0.291 48 A C 0.134 177.847 177.584 0.215 0.000 1.268 48 A CA -0.142 51.835 52.037 -0.100 0.000 0.712 48 A CB 1.590 20.524 19.000 -0.110 0.000 1.320 48 A HN 0.565 nan 8.150 nan 0.000 0.456 49 G N -1.968 106.956 108.800 0.208 0.000 2.361 49 G HA2 0.496 4.455 3.960 -0.000 0.000 0.305 49 G HA3 0.496 4.455 3.960 -0.000 0.000 0.305 49 G C 0.567 175.467 174.900 0.000 0.000 1.367 49 G CA 0.672 45.816 45.100 0.074 0.000 0.951 49 G HN 1.929 nan 8.290 nan 0.000 0.615 50 S N -0.242 115.406 115.700 -0.087 0.000 2.400 50 S HA -0.211 4.259 4.470 -0.000 0.000 0.232 50 S C 2.161 176.638 174.600 -0.205 0.000 1.025 50 S CA 1.800 59.940 58.200 -0.101 0.000 0.993 50 S CB -0.387 62.738 63.200 -0.125 0.000 0.808 50 S HN 1.218 nan 8.310 nan 0.000 0.478 51 R N 0.326 120.574 120.500 -0.420 0.000 2.249 51 R HA 0.003 4.343 4.340 -0.000 0.000 0.230 51 R C 0.766 176.738 176.300 -0.548 0.000 1.121 51 R CA 1.341 57.098 56.100 -0.573 0.000 0.997 51 R CB -0.690 29.109 30.300 -0.834 0.000 0.867 51 R HN 0.509 nan 8.270 nan 0.000 0.465 52 F N 0.985 120.849 119.950 -0.145 0.000 2.695 52 F HA 0.315 4.842 4.527 -0.000 0.000 0.303 52 F C 1.396 177.193 175.800 -0.004 0.000 1.091 52 F CA -0.417 57.507 58.000 -0.126 0.000 1.300 52 F CB 0.316 39.066 39.000 -0.416 0.000 1.071 52 F HN 0.014 nan 8.300 nan 0.000 0.578 53 E N 0.576 120.865 120.200 0.147 0.000 2.274 53 E HA 0.118 4.468 4.350 -0.000 0.000 0.194 53 E C 1.858 178.542 176.600 0.140 0.000 0.996 53 E CA 0.495 57.012 56.400 0.195 0.000 0.840 53 E CB -0.211 29.574 29.700 0.141 0.000 0.772 53 E HN 0.383 nan 8.360 nan 0.000 0.491 54 G N 1.234 110.086 108.800 0.087 0.000 2.578 54 G HA2 -0.389 3.571 3.960 -0.000 0.000 0.275 54 G HA3 -0.389 3.571 3.960 -0.000 0.000 0.275 54 G C 0.425 175.348 174.900 0.038 0.000 1.271 54 G CA 0.489 45.627 45.100 0.064 0.000 0.941 54 G HN 0.278 nan 8.290 nan 0.000 0.564 55 R N -0.256 120.262 120.500 0.029 0.000 2.237 55 R HA 0.189 4.529 4.340 -0.000 0.000 0.195 55 R C 2.445 178.733 176.300 -0.020 0.000 0.956 55 R CA 0.778 56.880 56.100 0.002 0.000 1.029 55 R CB -0.134 30.167 30.300 0.002 0.000 0.972 55 R HN 0.570 nan 8.270 nan 0.000 0.493 56 N N 0.326 119.028 118.700 0.003 0.000 2.331 56 N HA -0.026 4.714 4.740 -0.000 0.000 0.180 56 N C 0.658 176.088 175.510 -0.134 0.000 1.019 56 N CA 0.709 53.732 53.050 -0.046 0.000 0.881 56 N CB 0.274 38.800 38.487 0.066 0.000 0.972 56 N HN 0.092 nan 8.380 nan 0.000 0.435 57 L N 0.511 121.740 121.223 0.010 0.000 2.965 57 L HA 0.228 4.568 4.340 -0.000 0.000 0.254 57 L C -0.128 176.773 176.870 0.052 0.000 1.220 57 L CA -0.435 54.449 54.840 0.073 0.000 1.023 57 L CB 0.392 42.640 42.059 0.314 0.000 1.355 57 L HN -0.091 nan 8.230 nan 0.000 0.545 58 K N 1.646 122.037 120.400 -0.016 0.000 2.491 58 K HA 0.173 4.493 4.320 -0.000 0.000 0.279 58 K C 1.188 177.767 176.600 -0.034 0.000 1.026 58 K CA 1.079 57.355 56.287 -0.018 0.000 1.070 58 K CB 0.079 32.556 32.500 -0.037 0.000 0.887 58 K HN 0.333 nan 8.250 nan 0.000 0.481 59 G N 2.808 111.593 108.800 -0.025 0.000 2.176 59 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.253 59 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.253 59 G C 1.308 176.178 174.900 -0.049 0.000 0.979 59 G CA 0.247 45.322 45.100 -0.042 0.000 0.641 59 G HN 0.646 nan 8.290 nan 0.000 0.530 60 C N 0.550 119.802 119.300 -0.080 0.000 2.435 60 C HA 0.091 4.551 4.460 -0.000 0.000 0.279 60 C C 3.009 177.771 174.990 -0.381 0.000 1.321 60 C CA 1.976 60.873 59.018 -0.203 0.000 1.752 60 C CB -1.174 26.440 27.740 -0.210 0.000 1.959 60 C HN 0.655 nan 8.230 nan 0.000 0.500 61 T N -0.737 113.607 114.554 -0.351 0.000 2.746 61 T HA -0.198 4.152 4.350 -0.000 0.000 0.267 61 T C 1.836 176.470 174.700 -0.110 0.000 1.039 61 T CA 1.586 63.520 62.100 -0.277 0.000 1.142 61 T CB -0.486 68.338 68.868 -0.074 0.000 0.866 61 T HN 0.622 nan 8.240 nan 0.000 0.444 62 H N 1.259 120.248 119.070 -0.135 0.000 2.293 62 H HA -0.017 4.539 4.556 -0.000 0.000 0.300 62 H C 2.191 177.467 175.328 -0.087 0.000 1.082 62 H CA 1.227 57.217 56.048 -0.097 0.000 1.308 62 H CB -0.364 29.351 29.762 -0.079 0.000 1.375 62 H HN 0.177 nan 8.280 nan 0.000 0.495 63 I N 1.134 121.805 120.570 0.169 0.000 2.179 63 I HA -0.264 3.906 4.170 -0.000 0.000 0.242 63 I C 2.935 179.056 176.117 0.007 0.000 1.088 63 I CA 0.767 62.126 61.300 0.099 0.000 1.357 63 I CB -1.152 36.865 38.000 0.029 0.000 1.051 63 I HN 0.255 nan 8.210 nan 0.000 0.409 64 L N 0.820 122.008 121.223 -0.059 0.000 2.042 64 L HA -0.255 4.085 4.340 -0.000 0.000 0.210 64 L C 2.320 179.178 176.870 -0.020 0.000 1.076 64 L CA 1.943 56.754 54.840 -0.048 0.000 0.749 64 L CB -0.760 41.260 42.059 -0.066 0.000 0.893 64 L HN 0.329 nan 8.230 nan 0.000 0.432 65 D N -0.091 120.264 120.400 -0.075 0.000 2.178 65 D HA -0.230 4.410 4.640 -0.000 0.000 0.202 65 D C 2.143 178.384 176.300 -0.099 0.000 0.974 65 D CA 1.130 55.047 54.000 -0.138 0.000 0.841 65 D CB -0.026 40.643 40.800 -0.217 0.000 0.953 65 D HN -0.053 nan 8.370 nan 0.000 0.478 66 R N -0.960 119.496 120.500 -0.073 0.000 2.276 66 R HA 0.212 4.552 4.340 -0.000 0.000 0.203 66 R C 1.264 177.585 176.300 0.035 0.000 1.017 66 R CA 0.262 56.351 56.100 -0.018 0.000 1.010 66 R CB -0.240 30.079 30.300 0.031 0.000 0.900 66 R HN 0.208 nan 8.270 nan 0.000 0.469 67 L N -0.375 120.866 121.223 0.030 0.000 2.585 67 L HA 0.409 4.749 4.340 -0.000 0.000 0.226 67 L C 0.179 177.085 176.870 0.061 0.000 1.113 67 L CA -0.071 54.794 54.840 0.041 0.000 0.876 67 L CB -0.725 41.342 42.059 0.014 0.000 1.072 67 L HN 0.005 nan 8.230 nan 0.000 0.468 68 A N -0.909 121.957 122.820 0.076 0.000 2.565 68 A HA 0.162 4.481 4.320 -0.000 0.000 0.237 68 A C 0.342 178.050 177.584 0.207 0.000 1.053 68 A CA 0.037 52.119 52.037 0.075 0.000 0.755 68 A CB -0.763 18.290 19.000 0.088 0.000 0.980 68 A HN 0.370 nan 8.150 nan 0.000 0.506 69 F N -0.731 119.298 119.950 0.131 0.000 3.074 69 F HA -0.211 4.316 4.527 -0.000 0.000 0.289 69 F C 1.054 176.874 175.800 0.033 0.000 0.863 69 F CA 1.396 59.428 58.000 0.054 0.000 1.121 69 F CB -1.710 37.328 39.000 0.063 0.000 1.169 69 F HN 0.601 nan 8.300 nan 0.000 0.570 70 K N 0.256 120.735 120.400 0.131 0.000 2.762 70 K HA 0.608 4.928 4.320 -0.000 0.000 0.292 70 K C 0.862 177.493 176.600 0.051 0.000 1.008 70 K CA 0.120 56.461 56.287 0.090 0.000 1.142 70 K CB -0.061 32.476 32.500 0.061 0.000 1.490 70 K HN 0.123 nan 8.250 nan 0.000 0.581 71 S N 0.265 115.982 115.700 0.029 0.000 2.568 71 S HA 0.189 4.659 4.470 -0.000 0.000 0.282 71 S C 0.428 175.022 174.600 -0.009 0.000 1.338 71 S CA -0.335 57.871 58.200 0.010 0.000 1.045 71 S CB 0.137 63.339 63.200 0.004 0.000 0.873 71 S HN 0.593 nan 8.310 nan 0.000 0.516 72 T N -1.050 113.492 114.554 -0.020 0.000 2.858 72 T HA 0.508 4.858 4.350 -0.000 0.000 0.285 72 T C 0.597 175.234 174.700 -0.105 0.000 1.052 72 T CA -0.891 61.184 62.100 -0.042 0.000 1.009 72 T CB 1.004 69.866 68.868 -0.011 0.000 1.241 72 T HN 0.447 nan 8.240 nan 0.000 0.542 73 E N 0.328 120.393 120.200 -0.224 0.000 2.153 73 E HA -0.104 4.246 4.350 -0.000 0.000 0.194 73 E C 1.389 177.742 176.600 -0.412 0.000 0.988 73 E CA 1.659 57.819 56.400 -0.401 0.000 0.811 73 E CB -0.310 28.976 29.700 -0.691 0.000 0.746 73 E HN 0.834 nan 8.360 nan 0.000 0.466 74 H N -1.553 117.454 119.070 -0.104 0.000 2.652 74 H HA 0.282 4.838 4.556 -0.000 0.000 0.274 74 H C -0.342 174.957 175.328 -0.048 0.000 1.021 74 H CA -0.311 55.678 56.048 -0.098 0.000 1.187 74 H CB 1.122 30.803 29.762 -0.136 0.000 1.505 74 H HN -0.193 nan 8.280 nan 0.000 0.530 75 V N 1.799 121.737 119.914 0.038 0.000 2.612 75 V HA 0.089 4.209 4.120 -0.000 0.000 0.301 75 V C -0.223 175.878 176.094 0.011 0.000 1.059 75 V CA -1.112 61.206 62.300 0.030 0.000 0.886 75 V CB 2.357 34.200 31.823 0.034 0.000 1.007 75 V HN 0.200 nan 8.190 nan 0.000 0.426 76 E N 2.391 122.597 120.200 0.011 0.000 2.418 76 E HA 0.119 4.469 4.350 -0.000 0.000 0.261 76 E C 1.360 177.968 176.600 0.013 0.000 1.070 76 E CA 0.688 57.093 56.400 0.008 0.000 0.931 76 E CB 1.339 31.044 29.700 0.008 0.000 0.954 76 E HN 0.825 nan 8.360 nan 0.000 0.439 77 G N 2.623 111.433 108.800 0.016 0.000 2.491 77 G HA2 -0.346 3.614 3.960 -0.000 0.000 0.218 77 G HA3 -0.346 3.614 3.960 -0.000 0.000 0.218 77 G C 1.484 176.399 174.900 0.026 0.000 1.180 77 G CA 1.132 46.248 45.100 0.026 0.000 0.774 77 G HN 0.539 nan 8.290 nan 0.000 0.562 78 R N 0.645 121.157 120.500 0.020 0.000 2.091 78 R HA -0.020 4.320 4.340 -0.000 0.000 0.238 78 R C 2.806 179.114 176.300 0.012 0.000 1.136 78 R CA 1.622 57.733 56.100 0.017 0.000 0.959 78 R CB -0.413 29.895 30.300 0.014 0.000 0.856 78 R HN 0.309 nan 8.270 nan 0.000 0.437 79 A N 0.628 123.454 122.820 0.010 0.000 1.930 79 A HA -0.178 4.142 4.320 -0.000 0.000 0.217 79 A C 2.055 179.638 177.584 -0.002 0.000 1.175 79 A CA 1.430 53.470 52.037 0.005 0.000 0.627 79 A CB -0.441 18.563 19.000 0.007 0.000 0.815 79 A HN 0.468 nan 8.150 nan 0.000 0.443 80 M N 0.428 120.030 119.600 0.003 0.000 2.067 80 M HA -0.015 4.465 4.480 -0.000 0.000 0.260 80 M C 2.171 178.449 176.300 -0.037 0.000 1.069 80 M CA 1.988 57.286 55.300 -0.005 0.000 1.117 80 M CB -0.703 31.915 32.600 0.031 0.000 1.334 80 M HN 0.334 nan 8.290 nan 0.000 0.407 81 A N -0.488 122.327 122.820 -0.007 0.000 1.908 81 A HA -0.207 4.113 4.320 -0.000 0.000 0.218 81 A C 2.089 179.663 177.584 -0.017 0.000 1.181 81 A CA 2.145 54.179 52.037 -0.005 0.000 0.627 81 A CB -0.990 18.030 19.000 0.034 0.000 0.818 81 A HN 0.698 nan 8.150 nan 0.000 0.445 82 E N -1.071 119.124 120.200 -0.008 0.000 2.106 82 E HA -0.103 4.247 4.350 -0.000 0.000 0.192 82 E C 2.045 178.634 176.600 -0.019 0.000 0.984 82 E CA 1.507 57.904 56.400 -0.006 0.000 0.806 82 E CB -0.172 29.529 29.700 0.001 0.000 0.750 82 E HN 0.613 nan 8.360 nan 0.000 0.458 83 T N 1.183 115.716 114.554 -0.034 0.000 2.821 83 T HA -0.072 4.278 4.350 -0.000 0.000 0.267 83 T C 1.866 176.519 174.700 -0.078 0.000 1.046 83 T CA 0.633 62.707 62.100 -0.042 0.000 1.139 83 T CB -0.072 68.770 68.868 -0.043 0.000 0.871 83 T HN 0.084 nan 8.240 nan 0.000 0.454 84 L N 0.630 121.765 121.223 -0.146 0.000 2.141 84 L HA -0.064 4.276 4.340 -0.000 0.000 0.209 84 L C 2.707 179.530 176.870 -0.078 0.000 1.094 84 L CA 1.231 55.915 54.840 -0.261 0.000 0.763 84 L CB -0.468 41.222 42.059 -0.615 0.000 0.908 84 L HN 0.336 nan 8.230 nan 0.000 0.437 85 E N 0.231 120.422 120.200 -0.015 0.000 2.028 85 E HA -0.198 4.152 4.350 -0.000 0.000 0.191 85 E C 2.287 178.903 176.600 0.028 0.000 0.988 85 E CA 1.002 57.421 56.400 0.032 0.000 0.799 85 E CB -0.179 29.537 29.700 0.028 0.000 0.755 85 E HN 0.449 nan 8.360 nan 0.000 0.447 86 L N 0.884 122.117 121.223 0.015 0.000 2.261 86 L HA -0.176 4.164 4.340 -0.000 0.000 0.216 86 L C 2.183 179.084 176.870 0.052 0.000 1.114 86 L CA 0.671 55.529 54.840 0.029 0.000 0.777 86 L CB -0.276 41.793 42.059 0.017 0.000 0.910 86 L HN 0.160 nan 8.230 nan 0.000 0.440 87 L N -0.967 120.276 121.223 0.034 0.000 2.591 87 L HA 0.117 4.457 4.340 -0.000 0.000 0.228 87 L C 1.549 178.463 176.870 0.074 0.000 1.133 87 L CA 0.679 55.554 54.840 0.057 0.000 0.880 87 L CB -0.061 41.996 42.059 -0.004 0.000 1.033 87 L HN 0.474 nan 8.230 nan 0.000 0.450 88 G N -1.297 107.544 108.800 0.069 0.000 2.284 88 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.201 88 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.201 88 G C 0.927 175.841 174.900 0.024 0.000 0.998 88 G CA -0.282 44.845 45.100 0.045 0.000 0.651 88 G HN 0.438 nan 8.290 nan 0.000 0.489 89 G N -0.158 108.691 108.800 0.082 0.000 2.168 89 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.257 89 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.257 89 G C 0.143 175.070 174.900 0.044 0.000 0.997 89 G CA 1.053 46.250 45.100 0.162 0.000 0.708 89 G HN 1.474 nan 8.290 nan 0.000 0.520 90 N N 0.327 119.044 118.700 0.027 0.000 3.301 90 N HA 0.525 5.265 4.740 -0.000 0.000 0.289 90 N C -0.334 175.163 175.510 -0.021 0.000 1.343 90 N CA -0.576 52.423 53.050 -0.084 0.000 1.136 90 N CB -0.165 38.242 38.487 -0.135 0.000 1.402 90 N HN 0.640 nan 8.380 nan 0.000 0.516 91 Y N -0.823 119.373 120.300 -0.173 0.000 2.609 91 Y HA 0.679 5.229 4.550 -0.000 0.000 0.342 91 Y C -1.019 174.785 175.900 -0.159 0.000 1.058 91 Y CA -1.221 56.764 58.100 -0.192 0.000 1.055 91 Y CB 0.994 39.225 38.460 -0.381 0.000 1.292 91 Y HN 0.256 nan 8.280 nan 0.000 0.476 92 Q N 0.961 120.757 119.800 -0.007 0.000 2.647 92 Q HA 0.560 4.900 4.340 -0.000 0.000 0.283 92 Q C -2.224 173.846 176.000 0.116 0.000 0.943 92 Q CA -0.902 54.884 55.803 -0.029 0.000 0.813 92 Q CB 1.720 30.372 28.738 -0.142 0.000 1.477 92 Q HN 1.081 nan 8.270 nan 0.000 0.393 93 C N 2.074 121.398 119.300 0.039 0.000 2.379 93 C HA 0.963 5.423 4.460 -0.000 0.000 0.323 93 C C -0.437 174.425 174.990 -0.213 0.000 1.262 93 C CA 0.708 59.604 59.018 -0.203 0.000 1.581 93 C CB 0.813 28.364 27.740 -0.315 0.000 2.221 93 C HN 0.868 nan 8.230 nan 0.000 0.497 94 T N 2.285 116.692 114.554 -0.246 0.000 2.864 94 T HA 0.893 5.243 4.350 -0.000 0.000 0.299 94 T C -0.662 173.927 174.700 -0.185 0.000 1.166 94 T CA -0.409 61.579 62.100 -0.187 0.000 1.007 94 T CB 1.594 70.389 68.868 -0.121 0.000 1.219 94 T HN 1.210 nan 8.240 nan 0.000 0.506 95 S N -0.062 115.548 115.700 -0.151 0.000 2.579 95 S HA 0.876 5.346 4.470 -0.000 0.000 0.272 95 S C -0.427 174.122 174.600 -0.086 0.000 1.141 95 S CA -0.578 57.557 58.200 -0.109 0.000 0.843 95 S CB 1.794 64.925 63.200 -0.114 0.000 1.122 95 S HN 1.122 nan 8.310 nan 0.000 0.468 96 S N -0.358 115.307 115.700 -0.058 0.000 3.642 96 S HA 0.494 4.964 4.470 -0.000 0.000 0.312 96 S C 0.620 175.164 174.600 -0.092 0.000 1.117 96 S CA -0.722 57.439 58.200 -0.065 0.000 1.104 96 S CB 0.549 63.734 63.200 -0.025 0.000 1.397 96 S HN 0.732 nan 8.310 nan 0.000 0.756 97 R N 0.535 120.958 120.500 -0.130 0.000 2.090 97 R HA 0.195 4.535 4.340 -0.000 0.000 0.228 97 R C 0.892 177.038 176.300 -0.256 0.000 1.110 97 R CA 1.156 57.108 56.100 -0.248 0.000 0.973 97 R CB -0.093 29.963 30.300 -0.406 0.000 0.869 97 R HN 0.567 nan 8.270 nan 0.000 0.440 98 E N 0.250 120.384 120.200 -0.109 0.000 2.630 98 E HA 0.069 4.419 4.350 -0.000 0.000 0.218 98 E C -0.525 176.129 176.600 0.090 0.000 0.977 98 E CA -0.219 56.162 56.400 -0.031 0.000 1.038 98 E CB 0.566 30.292 29.700 0.043 0.000 1.051 98 E HN 0.311 nan 8.360 nan 0.000 0.487 99 N N 0.718 119.455 118.700 0.060 0.000 2.525 99 N HA 0.381 5.121 4.740 -0.000 0.000 0.270 99 N C -1.482 174.049 175.510 0.036 0.000 1.321 99 N CA -0.758 52.338 53.050 0.077 0.000 0.797 99 N CB 2.380 40.920 38.487 0.088 0.000 1.529 99 N HN -0.077 nan 8.380 nan 0.000 0.491 100 L N 0.780 122.019 121.223 0.027 0.000 2.596 100 L HA 0.522 4.862 4.340 -0.000 0.000 0.265 100 L C -1.332 175.492 176.870 -0.076 0.000 0.962 100 L CA -0.337 54.477 54.840 -0.042 0.000 0.891 100 L CB 1.249 43.311 42.059 0.004 0.000 1.248 100 L HN 0.802 nan 8.230 nan 0.000 0.410 101 M N 2.840 122.321 119.600 -0.198 0.000 2.518 101 M HA 0.588 5.068 4.480 -0.000 0.000 0.300 101 M C -1.812 174.239 176.300 -0.415 0.000 1.175 101 M CA -0.696 54.432 55.300 -0.287 0.000 0.890 101 M CB 2.385 34.840 32.600 -0.242 0.000 1.710 101 M HN 0.428 nan 8.290 nan 0.000 0.453 102 Y N 1.378 121.483 120.300 -0.325 0.000 2.345 102 Y HA 0.527 5.077 4.550 -0.000 0.000 0.331 102 Y C -0.453 175.362 175.900 -0.141 0.000 0.959 102 Y CA -0.369 57.659 58.100 -0.119 0.000 1.204 102 Y CB 1.564 39.955 38.460 -0.116 0.000 1.135 102 Y HN 0.661 nan 8.280 nan 0.000 0.477 103 Q N 2.063 121.917 119.800 0.089 0.000 2.451 103 Q HA 0.974 5.314 4.340 -0.000 0.000 0.281 103 Q C -1.300 174.765 176.000 0.108 0.000 1.099 103 Q CA -1.523 54.313 55.803 0.055 0.000 0.806 103 Q CB 3.225 31.980 28.738 0.028 0.000 1.419 103 Q HN 0.688 nan 8.270 nan 0.000 0.427 104 A N 0.751 123.623 122.820 0.087 0.000 2.597 104 A HA 0.707 5.027 4.320 -0.000 0.000 0.292 104 A C -1.406 176.217 177.584 0.064 0.000 1.057 104 A CA -0.617 51.464 52.037 0.074 0.000 0.674 104 A CB 1.631 20.685 19.000 0.090 0.000 1.278 104 A HN 0.696 nan 8.150 nan 0.000 0.416 105 S N -0.067 115.646 115.700 0.022 0.000 2.500 105 S HA 0.881 5.351 4.470 -0.000 0.000 0.301 105 S C -0.254 174.290 174.600 -0.093 0.000 1.092 105 S CA 0.026 58.248 58.200 0.036 0.000 1.030 105 S CB 1.061 64.285 63.200 0.040 0.000 1.031 105 S HN 2.276 nan 8.310 nan 0.000 0.483 106 V N -0.745 119.136 119.914 -0.055 0.000 3.206 106 V HA 0.753 4.873 4.120 -0.000 0.000 0.305 106 V C -0.947 175.065 176.094 -0.137 0.000 1.257 106 V CA -1.449 60.749 62.300 -0.169 0.000 1.057 106 V CB 0.584 32.407 31.823 -0.001 0.000 1.075 106 V HN 0.773 nan 8.190 nan 0.000 0.443 107 F N 1.966 121.982 119.950 0.110 0.000 2.506 107 F HA 0.368 4.895 4.527 -0.000 0.000 0.351 107 F C 1.934 177.823 175.800 0.148 0.000 1.136 107 F CA 0.029 58.118 58.000 0.149 0.000 1.298 107 F CB 0.140 39.197 39.000 0.094 0.000 1.145 107 F HN 0.580 nan 8.300 nan 0.000 0.593 108 N N 1.330 120.239 118.700 0.348 0.000 2.091 108 N HA -0.224 4.516 4.740 -0.000 0.000 0.193 108 N C 1.824 177.441 175.510 0.180 0.000 1.021 108 N CA 1.505 54.689 53.050 0.222 0.000 0.862 108 N CB -0.377 38.216 38.487 0.177 0.000 1.018 108 N HN 0.667 nan 8.380 nan 0.000 0.429 109 Q N 0.353 120.263 119.800 0.182 0.000 2.488 109 Q HA -0.055 4.285 4.340 -0.000 0.000 0.211 109 Q C -0.229 175.851 176.000 0.132 0.000 0.967 109 Q CA 1.083 56.965 55.803 0.131 0.000 0.926 109 Q CB 0.053 28.852 28.738 0.101 0.000 0.992 109 Q HN 0.236 nan 8.270 nan 0.000 0.506 110 D N 0.536 121.035 120.400 0.166 0.000 2.363 110 D HA 0.105 4.745 4.640 -0.000 0.000 0.214 110 D C 1.626 178.001 176.300 0.125 0.000 1.093 110 D CA -0.042 54.041 54.000 0.138 0.000 0.837 110 D CB 0.645 41.539 40.800 0.156 0.000 0.948 110 D HN 0.019 nan 8.370 nan 0.000 0.507 111 V N 0.994 120.995 119.914 0.146 0.000 2.287 111 V HA -0.213 3.907 4.120 -0.000 0.000 0.248 111 V C 2.602 178.793 176.094 0.162 0.000 1.053 111 V CA 2.279 64.682 62.300 0.172 0.000 1.027 111 V CB -0.859 31.086 31.823 0.203 0.000 0.646 111 V HN 0.288 nan 8.190 nan 0.000 0.447 112 G N -0.383 108.507 108.800 0.150 0.000 2.440 112 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.218 112 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.218 112 G C 1.606 176.549 174.900 0.073 0.000 1.154 112 G CA 1.225 46.430 45.100 0.176 0.000 0.767 112 G HN 0.456 nan 8.290 nan 0.000 0.552 113 K N -0.164 120.266 120.400 0.051 0.000 2.097 113 K HA 0.034 4.354 4.320 -0.000 0.000 0.205 113 K C 2.337 178.900 176.600 -0.062 0.000 1.050 113 K CA 1.281 57.560 56.287 -0.013 0.000 0.938 113 K CB -0.364 32.146 32.500 0.017 0.000 0.718 113 K HN 0.279 nan 8.250 nan 0.000 0.442 114 M N -0.078 119.514 119.600 -0.013 0.000 2.175 114 M HA 0.015 4.495 4.480 -0.000 0.000 0.264 114 M C 1.650 177.927 176.300 -0.038 0.000 1.063 114 M CA 1.221 56.509 55.300 -0.020 0.000 1.119 114 M CB -0.361 32.252 32.600 0.021 0.000 1.377 114 M HN 0.229 nan 8.290 nan 0.000 0.415 115 L N 0.065 121.270 121.223 -0.030 0.000 2.141 115 L HA -0.141 4.199 4.340 -0.000 0.000 0.209 115 L C 2.303 178.997 176.870 -0.294 0.000 1.094 115 L CA 1.895 56.703 54.840 -0.053 0.000 0.763 115 L CB -0.919 41.216 42.059 0.126 0.000 0.908 115 L HN 0.605 nan 8.230 nan 0.000 0.437 116 Q N -0.718 118.757 119.800 -0.542 0.000 2.046 116 Q HA -0.182 4.158 4.340 -0.000 0.000 0.200 116 Q C 2.204 178.000 176.000 -0.339 0.000 0.975 116 Q CA 1.897 57.195 55.803 -0.842 0.000 0.836 116 Q CB -0.168 28.095 28.738 -0.792 0.000 0.896 116 Q HN 0.610 nan 8.270 nan 0.000 0.428 117 L N -0.038 121.075 121.223 -0.184 0.000 2.046 117 L HA -0.206 4.134 4.340 -0.000 0.000 0.208 117 L C 2.667 179.510 176.870 -0.045 0.000 1.077 117 L CA 1.141 55.946 54.840 -0.058 0.000 0.747 117 L CB -0.414 41.639 42.059 -0.011 0.000 0.896 117 L HN 0.380 nan 8.230 nan 0.000 0.432 118 M N -0.187 119.387 119.600 -0.044 0.000 2.080 118 M HA -0.194 4.286 4.480 -0.000 0.000 0.260 118 M C 2.593 178.695 176.300 -0.331 0.000 1.068 118 M CA 2.256 57.461 55.300 -0.158 0.000 1.109 118 M CB -0.448 32.094 32.600 -0.096 0.000 1.342 118 M HN 0.372 nan 8.290 nan 0.000 0.405 119 S N -0.353 115.190 115.700 -0.261 0.000 2.419 119 S HA -0.102 4.368 4.470 -0.000 0.000 0.233 119 S C 1.710 176.139 174.600 -0.285 0.000 1.016 119 S CA 0.872 58.890 58.200 -0.303 0.000 0.974 119 S CB -0.405 62.694 63.200 -0.169 0.000 0.786 119 S HN 0.398 nan 8.310 nan 0.000 0.492 120 E N 1.096 121.212 120.200 -0.141 0.000 2.072 120 E HA -0.077 4.273 4.350 -0.000 0.000 0.191 120 E C 2.207 178.731 176.600 -0.127 0.000 0.985 120 E CA 1.456 57.862 56.400 0.011 0.000 0.801 120 E CB -0.776 28.960 29.700 0.060 0.000 0.750 120 E HN 0.603 nan 8.360 nan 0.000 0.452 121 T N 0.088 114.492 114.554 -0.249 0.000 3.023 121 T HA -0.017 4.333 4.350 -0.000 0.000 0.266 121 T C 1.813 176.285 174.700 -0.380 0.000 1.093 121 T CA 0.513 62.430 62.100 -0.306 0.000 1.129 121 T CB 0.131 68.722 68.868 -0.461 0.000 0.899 121 T HN -0.097 nan 8.240 nan 0.000 0.491 122 V N 0.590 120.200 119.914 -0.506 0.000 2.649 122 V HA 0.153 4.273 4.120 -0.000 0.000 0.248 122 V C 2.589 178.395 176.094 -0.479 0.000 1.054 122 V CA 1.290 63.317 62.300 -0.455 0.000 1.073 122 V CB -0.276 31.181 31.823 -0.610 0.000 0.699 122 V HN 0.335 nan 8.190 nan 0.000 0.463 123 R N -1.418 118.642 120.500 -0.733 0.000 2.195 123 R HA 0.188 4.528 4.340 -0.000 0.000 0.197 123 R C 0.515 176.198 176.300 -1.029 0.000 0.990 123 R CA 0.616 56.045 56.100 -1.119 0.000 1.048 123 R CB 0.299 29.516 30.300 -1.804 0.000 0.997 123 R HN 0.467 nan 8.270 nan 0.000 0.502 124 F N 1.257 121.066 119.950 -0.236 0.000 2.841 124 F HA 0.321 4.848 4.527 -0.000 0.000 0.358 124 F C -2.243 173.437 175.800 -0.199 0.000 1.261 124 F CA -2.762 55.109 58.000 -0.215 0.000 1.233 124 F CB 0.519 39.352 39.000 -0.279 0.000 1.008 124 F HN -0.202 nan 8.300 nan 0.000 0.507 125 P HA 0.058 nan 4.420 nan 0.000 0.269 125 P C 0.418 177.688 177.300 -0.051 0.000 1.209 125 P CA 0.060 63.113 63.100 -0.078 0.000 0.776 125 P CB 1.754 33.379 31.700 -0.125 0.000 0.876 126 K N 1.717 122.093 120.400 -0.039 0.000 2.128 126 K HA 0.139 4.459 4.320 -0.000 0.000 0.202 126 K C 0.640 177.224 176.600 -0.027 0.000 1.050 126 K CA 0.155 56.423 56.287 -0.032 0.000 0.966 126 K CB -0.289 32.195 32.500 -0.027 0.000 0.759 126 K HN 0.455 nan 8.250 nan 0.000 0.454 127 I N 3.175 123.731 120.570 -0.024 0.000 7.277 127 I HA -0.261 3.909 4.170 -0.000 0.000 0.126 127 I C 0.247 176.360 176.117 -0.007 0.000 1.720 127 I CA 0.170 61.461 61.300 -0.016 0.000 2.268 127 I CB -1.792 36.191 38.000 -0.027 0.000 3.404 127 I HN 0.339 nan 8.210 nan 0.000 0.234 128 T N -0.715 113.838 114.554 -0.001 0.000 2.828 128 T HA 0.285 4.635 4.350 -0.000 0.000 0.290 128 T C 1.219 175.924 174.700 0.007 0.000 1.019 128 T CA -0.251 61.850 62.100 0.002 0.000 1.031 128 T CB 1.622 70.492 68.868 0.003 0.000 1.001 128 T HN 0.490 nan 8.240 nan 0.000 0.531 129 E N 0.062 120.267 120.200 0.009 0.000 2.085 129 E HA -0.240 4.110 4.350 -0.000 0.000 0.194 129 E C 2.225 178.832 176.600 0.013 0.000 0.994 129 E CA 1.240 57.647 56.400 0.012 0.000 0.801 129 E CB -0.120 29.587 29.700 0.010 0.000 0.743 129 E HN 0.768 nan 8.360 nan 0.000 0.453 130 Q N 0.813 120.621 119.800 0.013 0.000 2.050 130 Q HA -0.228 4.112 4.340 -0.000 0.000 0.202 130 Q C 1.912 177.924 176.000 0.019 0.000 0.980 130 Q CA 1.504 57.317 55.803 0.016 0.000 0.840 130 Q CB 0.096 28.843 28.738 0.015 0.000 0.898 130 Q HN 0.319 nan 8.270 nan 0.000 0.424 131 E N 0.155 120.366 120.200 0.019 0.000 2.077 131 E HA -0.215 4.135 4.350 -0.000 0.000 0.193 131 E C 2.017 178.632 176.600 0.024 0.000 0.989 131 E CA 1.094 57.508 56.400 0.024 0.000 0.800 131 E CB -0.139 29.573 29.700 0.021 0.000 0.746 131 E HN 0.240 nan 8.360 nan 0.000 0.452 132 L N 1.209 122.443 121.223 0.019 0.000 2.056 132 L HA -0.201 4.139 4.340 -0.000 0.000 0.207 132 L C 2.329 179.210 176.870 0.018 0.000 1.078 132 L CA 1.782 56.633 54.840 0.019 0.000 0.749 132 L CB -0.405 41.665 42.059 0.018 0.000 0.901 132 L HN -0.004 nan 8.230 nan 0.000 0.433 133 Q N 0.036 119.846 119.800 0.017 0.000 2.119 133 Q HA -0.201 4.139 4.340 -0.000 0.000 0.201 133 Q C 2.115 178.124 176.000 0.014 0.000 0.972 133 Q CA 1.911 57.721 55.803 0.012 0.000 0.847 133 Q CB -0.125 28.621 28.738 0.012 0.000 0.903 133 Q HN 0.659 nan 8.270 nan 0.000 0.433 134 E N -0.819 119.395 120.200 0.023 0.000 2.047 134 E HA -0.186 4.164 4.350 -0.000 0.000 0.191 134 E C 1.993 178.615 176.600 0.036 0.000 0.987 134 E CA 1.077 57.497 56.400 0.033 0.000 0.799 134 E CB 0.064 29.787 29.700 0.038 0.000 0.752 134 E HN 0.320 nan 8.360 nan 0.000 0.449 135 Q N 0.675 120.497 119.800 0.036 0.000 2.167 135 Q HA -0.108 4.232 4.340 -0.000 0.000 0.202 135 Q C 1.858 177.874 176.000 0.026 0.000 0.970 135 Q CA 1.152 56.982 55.803 0.046 0.000 0.855 135 Q CB -0.077 28.692 28.738 0.052 0.000 0.911 135 Q HN 0.200 nan 8.270 nan 0.000 0.438 136 K N 0.254 120.656 120.400 0.004 0.000 2.025 136 K HA -0.122 4.198 4.320 -0.000 0.000 0.207 136 K C 2.059 178.621 176.600 -0.064 0.000 1.049 136 K CA 0.830 57.100 56.287 -0.028 0.000 0.933 136 K CB -0.245 32.242 32.500 -0.023 0.000 0.714 136 K HN 0.051 nan 8.250 nan 0.000 0.438 137 L N 0.977 122.166 121.223 -0.056 0.000 2.012 137 L HA -0.176 4.164 4.340 -0.000 0.000 0.210 137 L C 2.279 179.070 176.870 -0.132 0.000 1.073 137 L CA 1.975 56.746 54.840 -0.114 0.000 0.748 137 L CB -0.958 41.077 42.059 -0.040 0.000 0.891 137 L HN 0.101 nan 8.230 nan 0.000 0.431 138 S N -0.716 114.988 115.700 0.006 0.000 2.399 138 S HA -0.120 4.350 4.470 -0.000 0.000 0.231 138 S C 2.113 176.748 174.600 0.059 0.000 1.022 138 S CA 1.092 59.350 58.200 0.096 0.000 0.983 138 S CB -0.493 62.770 63.200 0.106 0.000 0.803 138 S HN 0.670 nan 8.310 nan 0.000 0.480 139 A N 1.148 123.962 122.820 -0.009 0.000 1.969 139 A HA -0.017 4.303 4.320 -0.000 0.000 0.218 139 A C 2.020 179.547 177.584 -0.095 0.000 1.169 139 A CA 1.344 53.345 52.037 -0.059 0.000 0.635 139 A CB -0.574 18.338 19.000 -0.146 0.000 0.810 139 A HN 0.716 nan 8.150 nan 0.000 0.445 140 E N -1.038 119.066 120.200 -0.160 0.000 2.077 140 E HA -0.215 4.135 4.350 -0.000 0.000 0.193 140 E C 1.805 178.339 176.600 -0.110 0.000 0.989 140 E CA 1.495 57.781 56.400 -0.190 0.000 0.800 140 E CB -0.359 29.144 29.700 -0.327 0.000 0.746 140 E HN 0.768 nan 8.360 nan 0.000 0.452 141 Y N 1.272 121.581 120.300 0.015 0.000 2.181 141 Y HA -0.167 4.383 4.550 -0.000 0.000 0.288 141 Y C 2.362 178.280 175.900 0.030 0.000 1.146 141 Y CA 1.098 59.212 58.100 0.023 0.000 1.164 141 Y CB -0.595 37.877 38.460 0.019 0.000 0.982 141 Y HN 0.109 nan 8.280 nan 0.000 0.515 142 E N 0.135 120.440 120.200 0.175 0.000 2.058 142 E HA -0.218 4.132 4.350 -0.000 0.000 0.194 142 E C 1.997 178.648 176.600 0.086 0.000 0.997 142 E CA 1.512 57.982 56.400 0.115 0.000 0.801 142 E CB -0.282 29.484 29.700 0.109 0.000 0.746 142 E HN 0.337 nan 8.360 nan 0.000 0.450 143 I N 1.940 122.549 120.570 0.064 0.000 2.226 143 I HA -0.264 3.906 4.170 -0.000 0.000 0.245 143 I C 1.820 178.075 176.117 0.231 0.000 1.100 143 I CA 1.343 62.706 61.300 0.105 0.000 1.374 143 I CB -0.275 37.784 38.000 0.097 0.000 1.057 143 I HN 0.099 nan 8.210 nan 0.000 0.413 144 D N 0.267 120.785 120.400 0.196 0.000 2.178 144 D HA -0.175 4.465 4.640 -0.000 0.000 0.201 144 D C 2.137 178.557 176.300 0.200 0.000 0.980 144 D CA 1.092 55.221 54.000 0.216 0.000 0.842 144 D CB -0.139 40.768 40.800 0.179 0.000 0.948 144 D HN 0.474 nan 8.370 nan 0.000 0.472 145 E N 0.010 120.297 120.200 0.144 0.000 2.112 145 E HA -0.056 4.294 4.350 -0.000 0.000 0.190 145 E C 2.264 178.900 176.600 0.061 0.000 0.979 145 E CA 0.206 56.663 56.400 0.095 0.000 0.814 145 E CB 0.220 29.958 29.700 0.063 0.000 0.762 145 E HN 0.020 nan 8.360 nan 0.000 0.460 146 V N 0.324 120.248 119.914 0.017 0.000 2.392 146 V HA -0.230 3.890 4.120 -0.000 0.000 0.249 146 V C 1.351 177.348 176.094 -0.162 0.000 1.059 146 V CA 1.553 63.786 62.300 -0.111 0.000 1.051 146 V CB -0.454 31.241 31.823 -0.213 0.000 0.658 146 V HN 0.437 nan 8.190 nan 0.000 0.455 147 W N -0.902 120.400 121.300 0.004 0.000 3.096 147 W HA 0.075 4.735 4.660 0.000 0.000 0.241 147 W C 1.995 178.526 176.519 0.020 0.000 1.316 147 W CA 0.435 57.781 57.345 0.003 0.000 1.520 147 W CB -0.294 29.166 29.460 0.001 0.000 1.128 147 W HN 0.247 nan 8.180 nan 0.000 0.707 148 M N -0.770 118.934 119.600 0.174 0.000 2.333 148 M HA 0.109 4.589 4.480 -0.000 0.000 0.257 148 M C 0.126 176.484 176.300 0.097 0.000 1.078 148 M CA 0.550 55.947 55.300 0.161 0.000 1.005 148 M CB 0.351 33.040 32.600 0.148 0.000 1.444 148 M HN -0.340 nan 8.290 nan 0.000 0.496 149 K N 1.054 121.467 120.400 0.022 0.000 2.347 149 K HA 0.270 4.590 4.320 -0.000 0.000 0.262 149 K C -2.155 174.401 176.600 -0.072 0.000 1.052 149 K CA -1.625 54.650 56.287 -0.019 0.000 0.946 149 K CB 1.258 33.731 32.500 -0.045 0.000 1.220 149 K HN -0.225 nan 8.250 nan 0.000 0.450 150 P HA -0.226 nan 4.420 nan 0.000 0.217 150 P C 0.254 177.447 177.300 -0.179 0.000 1.148 150 P CA 1.310 64.290 63.100 -0.199 0.000 0.828 150 P CB 0.305 31.774 31.700 -0.384 0.000 0.783 151 E N -0.974 119.159 120.200 -0.113 0.000 2.268 151 E HA -0.099 4.251 4.350 -0.000 0.000 0.195 151 E C 1.772 178.312 176.600 -0.100 0.000 0.995 151 E CA 0.898 57.249 56.400 -0.081 0.000 0.836 151 E CB -0.868 28.807 29.700 -0.041 0.000 0.763 151 E HN 0.299 nan 8.360 nan 0.000 0.491 152 L N -0.514 120.628 121.223 -0.135 0.000 2.362 152 L HA 0.062 4.402 4.340 -0.000 0.000 0.204 152 L C 2.115 178.836 176.870 -0.248 0.000 1.060 152 L CA 0.136 54.869 54.840 -0.178 0.000 0.827 152 L CB -0.192 41.751 42.059 -0.192 0.000 1.027 152 L HN 0.015 nan 8.230 nan 0.000 0.474 153 V N 0.414 120.164 119.914 -0.273 0.000 2.261 153 V HA -0.266 3.854 4.120 -0.000 0.000 0.246 153 V C 2.566 178.541 176.094 -0.198 0.000 1.047 153 V CA 1.356 63.461 62.300 -0.327 0.000 1.015 153 V CB -0.384 31.305 31.823 -0.224 0.000 0.642 153 V HN 0.267 nan 8.190 nan 0.000 0.446 154 L N -0.179 120.953 121.223 -0.151 0.000 1.990 154 L HA -0.146 4.194 4.340 -0.000 0.000 0.213 154 L C 0.364 177.164 176.870 -0.117 0.000 1.072 154 L CA 2.679 57.451 54.840 -0.114 0.000 0.755 154 L CB -2.796 39.197 42.059 -0.109 0.000 0.889 154 L HN 0.345 nan 8.230 nan 0.000 0.432 155 P HA -0.179 nan 4.420 nan 0.000 0.218 155 P C 1.497 178.774 177.300 -0.037 0.000 1.148 155 P CA 1.205 64.241 63.100 -0.107 0.000 0.822 155 P CB 0.144 31.791 31.700 -0.089 0.000 0.784 156 E N 0.100 120.228 120.200 -0.120 0.000 2.051 156 E HA -0.156 4.194 4.350 -0.000 0.000 0.192 156 E C 1.861 178.439 176.600 -0.037 0.000 0.991 156 E CA 1.229 57.555 56.400 -0.123 0.000 0.799 156 E CB -1.247 28.309 29.700 -0.241 0.000 0.748 156 E HN 0.102 nan 8.360 nan 0.000 0.449 157 L N 0.166 121.364 121.223 -0.042 0.000 2.083 157 L HA -0.144 4.196 4.340 -0.000 0.000 0.209 157 L C 2.551 179.403 176.870 -0.030 0.000 1.083 157 L CA 0.849 55.684 54.840 -0.008 0.000 0.752 157 L CB -0.572 41.484 42.059 -0.005 0.000 0.899 157 L HN 0.272 nan 8.230 nan 0.000 0.433 158 L N -0.494 120.693 121.223 -0.060 0.000 1.989 158 L HA -0.251 4.089 4.340 -0.000 0.000 0.211 158 L C 2.470 179.274 176.870 -0.110 0.000 1.071 158 L CA 1.987 56.757 54.840 -0.116 0.000 0.749 158 L CB -0.541 41.385 42.059 -0.221 0.000 0.890 158 L HN 0.180 nan 8.230 nan 0.000 0.431 159 H N -1.275 117.746 119.070 -0.082 0.000 2.353 159 H HA -0.104 4.452 4.556 -0.000 0.000 0.300 159 H C 2.131 177.489 175.328 0.050 0.000 1.090 159 H CA 1.976 58.035 56.048 0.017 0.000 1.327 159 H CB -0.566 29.154 29.762 -0.070 0.000 1.383 159 H HN 0.343 nan 8.280 nan 0.000 0.508 160 T N -0.109 114.508 114.554 0.106 0.000 2.788 160 T HA -0.147 4.203 4.350 -0.000 0.000 0.268 160 T C 2.242 176.946 174.700 0.006 0.000 1.044 160 T CA 1.237 63.369 62.100 0.054 0.000 1.139 160 T CB -0.372 68.515 68.868 0.031 0.000 0.867 160 T HN 0.497 nan 8.240 nan 0.000 0.454 161 A N 0.960 123.754 122.820 -0.042 0.000 1.975 161 A HA 0.461 4.781 4.320 -0.000 0.000 0.215 161 A C 2.559 180.011 177.584 -0.219 0.000 1.170 161 A CA 1.213 53.186 52.037 -0.108 0.000 0.656 161 A CB -0.767 18.167 19.000 -0.110 0.000 0.821 161 A HN 0.463 nan 8.150 nan 0.000 0.449 162 A N -1.573 121.087 122.820 -0.266 0.000 2.019 162 A HA 0.004 4.324 4.320 -0.000 0.000 0.219 162 A C 1.365 178.391 177.584 -0.929 0.000 1.164 162 A CA 1.276 52.936 52.037 -0.629 0.000 0.644 162 A CB -0.517 18.180 19.000 -0.506 0.000 0.805 162 A HN 0.607 nan 8.150 nan 0.000 0.449 163 Y N -1.181 118.992 120.300 -0.210 0.000 2.706 163 Y HA 0.287 4.837 4.550 -0.000 0.000 0.255 163 Y C 0.933 176.763 175.900 -0.117 0.000 1.163 163 Y CA -0.058 57.949 58.100 -0.154 0.000 1.174 163 Y CB -0.025 38.385 38.460 -0.084 0.000 1.200 163 Y HN 0.169 nan 8.280 nan 0.000 0.544 164 S N 0.592 116.267 115.700 -0.042 0.000 3.559 164 S HA -0.213 4.257 4.470 -0.000 0.000 0.369 164 S C 1.590 176.195 174.600 0.008 0.000 0.987 164 S CA 1.050 59.233 58.200 -0.028 0.000 1.187 164 S CB -1.608 61.569 63.200 -0.037 0.000 0.914 164 S HN 1.228 nan 8.310 nan 0.000 0.480 165 G N -0.474 108.342 108.800 0.025 0.000 2.166 165 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.260 165 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.260 165 G C -0.256 174.645 174.900 0.002 0.000 0.986 165 G CA 0.698 45.806 45.100 0.014 0.000 0.683 165 G HN 0.644 nan 8.290 nan 0.000 0.527 166 E N -0.116 120.093 120.200 0.016 0.000 2.244 166 E HA 0.557 4.907 4.350 -0.000 0.000 0.266 166 E C 1.365 177.913 176.600 -0.086 0.000 0.914 166 E CA 0.258 56.648 56.400 -0.017 0.000 0.794 166 E CB 1.686 31.392 29.700 0.011 0.000 1.210 166 E HN 0.855 nan 8.360 nan 0.000 0.414 167 T N -0.569 113.903 114.554 -0.138 0.000 13.579 167 T HA -0.386 3.964 4.350 -0.000 0.000 0.417 167 T C 1.552 176.012 174.700 -0.400 0.000 1.443 167 T CA 1.757 63.697 62.100 -0.266 0.000 2.337 167 T CB -1.267 67.447 68.868 -0.257 0.000 2.774 167 T HN 0.475 nan 8.240 nan 0.000 0.496 168 L N 2.117 122.972 121.223 -0.615 0.000 2.353 168 L HA 0.175 4.515 4.340 -0.000 0.000 0.220 168 L C 2.835 179.437 176.870 -0.446 0.000 1.133 168 L CA 1.469 55.849 54.840 -0.768 0.000 0.798 168 L CB -0.728 40.574 42.059 -1.262 0.000 0.922 168 L HN 0.867 nan 8.230 nan 0.000 0.445 169 G N -1.758 106.898 108.800 -0.239 0.000 3.159 169 G HA2 -0.014 3.945 3.960 -0.000 0.000 0.232 169 G HA3 -0.014 3.945 3.960 -0.000 0.000 0.232 169 G C 0.508 175.386 174.900 -0.036 0.000 1.116 169 G CA -0.119 44.997 45.100 0.027 0.000 0.767 169 G HN 0.148 nan 8.290 nan 0.000 0.547 170 S N 1.470 117.104 115.700 -0.109 0.000 2.549 170 S HA 0.374 4.844 4.470 -0.000 0.000 0.279 170 S C -2.310 172.236 174.600 -0.090 0.000 1.321 170 S CA -1.110 57.039 58.200 -0.084 0.000 1.054 170 S CB 0.835 63.972 63.200 -0.104 0.000 0.899 170 S HN -0.021 nan 8.310 nan 0.000 0.497 171 P HA -0.055 nan 4.420 nan 0.000 0.259 171 P C 0.361 177.612 177.300 -0.083 0.000 1.163 171 P CA 0.056 63.126 63.100 -0.049 0.000 0.760 171 P CB 0.340 32.038 31.700 -0.003 0.000 0.762 172 L N 5.359 126.510 121.223 -0.120 0.000 2.307 172 L HA 0.200 4.540 4.340 -0.000 0.000 0.211 172 L C 0.635 177.454 176.870 -0.084 0.000 1.099 172 L CA 1.135 55.897 54.840 -0.131 0.000 0.816 172 L CB -0.191 41.750 42.059 -0.198 0.000 0.952 172 L HN 0.237 nan 8.230 nan 0.000 0.455 173 I N 0.388 120.901 120.570 -0.095 0.000 2.312 173 I HA 0.095 4.265 4.170 -0.000 0.000 0.291 173 I C 0.026 176.134 176.117 -0.014 0.000 1.031 173 I CA -0.581 60.670 61.300 -0.082 0.000 1.293 173 I CB 0.776 38.665 38.000 -0.186 0.000 1.403 173 I HN 0.037 nan 8.210 nan 0.000 0.484 174 C N 9.074 128.348 119.300 -0.044 0.000 2.648 174 C HA 0.238 4.698 4.460 -0.000 0.000 0.419 174 C C -1.865 173.138 174.990 0.022 0.000 1.352 174 C CA -1.136 57.860 59.018 -0.036 0.000 1.816 174 C CB -0.275 27.400 27.740 -0.109 0.000 2.598 174 C HN 0.514 nan 8.230 nan 0.000 0.598 175 P HA 0.083 nan 4.420 nan 0.000 0.264 175 P C 0.686 177.985 177.300 -0.001 0.000 1.183 175 P CA 0.341 63.462 63.100 0.036 0.000 0.763 175 P CB 0.324 32.026 31.700 0.002 0.000 0.807 176 R N 3.027 123.525 120.500 -0.003 0.000 2.083 176 R HA -0.133 4.207 4.340 -0.000 0.000 0.237 176 R C 2.191 178.461 176.300 -0.050 0.000 1.137 176 R CA 2.047 58.128 56.100 -0.031 0.000 0.951 176 R CB -1.019 29.256 30.300 -0.040 0.000 0.851 176 R HN 0.691 nan 8.270 nan 0.000 0.434 177 G N 0.069 108.839 108.800 -0.050 0.000 2.535 177 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.218 177 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.218 177 G C 1.247 176.122 174.900 -0.042 0.000 1.122 177 G CA 0.248 45.319 45.100 -0.047 0.000 0.769 177 G HN 0.240 nan 8.290 nan 0.000 0.549 178 L N -0.363 120.834 121.223 -0.044 0.000 2.477 178 L HA 0.287 4.627 4.340 -0.000 0.000 0.220 178 L C 2.508 179.350 176.870 -0.047 0.000 1.106 178 L CA -0.103 54.710 54.840 -0.046 0.000 0.851 178 L CB -0.041 41.988 42.059 -0.051 0.000 0.994 178 L HN 0.158 nan 8.230 nan 0.000 0.462 179 I N 0.976 121.513 120.570 -0.055 0.000 2.208 179 I HA -0.208 3.962 4.170 -0.000 0.000 0.245 179 I C -0.427 175.668 176.117 -0.037 0.000 1.097 179 I CA 1.502 62.767 61.300 -0.059 0.000 1.363 179 I CB -1.050 36.900 38.000 -0.084 0.000 1.051 179 I HN 0.211 nan 8.210 nan 0.000 0.413 180 P HA -0.109 nan 4.420 nan 0.000 0.222 180 P C 1.269 178.575 177.300 0.011 0.000 1.147 180 P CA 1.251 64.341 63.100 -0.017 0.000 0.790 180 P CB -0.081 31.604 31.700 -0.024 0.000 0.780 181 S N -1.825 113.885 115.700 0.017 0.000 2.605 181 S HA 0.140 4.610 4.470 -0.000 0.000 0.217 181 S C 0.661 175.329 174.600 0.112 0.000 0.958 181 S CA -0.326 57.910 58.200 0.059 0.000 0.919 181 S CB -0.948 62.278 63.200 0.042 0.000 0.780 181 S HN 0.009 nan 8.310 nan 0.000 0.507 182 I N 3.920 124.536 120.570 0.077 0.000 2.421 182 I HA 0.164 4.334 4.170 -0.000 0.000 0.291 182 I C 0.596 176.811 176.117 0.164 0.000 1.089 182 I CA -0.236 61.136 61.300 0.120 0.000 1.354 182 I CB 0.556 38.583 38.000 0.046 0.000 1.413 182 I HN 0.384 nan 8.210 nan 0.000 0.513 183 S N 5.259 121.129 115.700 0.283 0.000 2.739 183 S HA 0.360 4.830 4.470 -0.000 0.000 0.306 183 S C 0.810 175.495 174.600 0.143 0.000 1.115 183 S CA -0.912 57.400 58.200 0.185 0.000 0.985 183 S CB 2.110 65.417 63.200 0.178 0.000 1.133 183 S HN 0.654 nan 8.310 nan 0.000 0.541 184 K N -0.447 120.005 120.400 0.087 0.000 2.147 184 K HA -0.172 4.148 4.320 -0.000 0.000 0.205 184 K C 1.883 178.505 176.600 0.038 0.000 1.049 184 K CA 1.413 57.731 56.287 0.052 0.000 0.936 184 K CB -0.494 32.027 32.500 0.035 0.000 0.722 184 K HN 0.726 nan 8.250 nan 0.000 0.446 185 Y N 0.084 120.336 120.300 -0.080 0.000 2.128 185 Y HA -0.308 4.242 4.550 -0.000 0.000 0.284 185 Y C 1.570 177.376 175.900 -0.157 0.000 1.154 185 Y CA 1.859 59.860 58.100 -0.166 0.000 1.149 185 Y CB -0.299 37.980 38.460 -0.302 0.000 0.976 185 Y HN 0.082 nan 8.280 nan 0.000 0.505 186 Y N 0.012 120.328 120.300 0.026 0.000 2.293 186 Y HA -0.176 4.374 4.550 -0.000 0.000 0.291 186 Y C 2.300 178.182 175.900 -0.031 0.000 1.137 186 Y CA 1.361 59.442 58.100 -0.031 0.000 1.202 186 Y CB -0.638 37.890 38.460 0.113 0.000 0.990 186 Y HN 0.156 nan 8.280 nan 0.000 0.537 187 L N -0.957 120.330 121.223 0.107 0.000 2.093 187 L HA -0.214 4.126 4.340 -0.000 0.000 0.208 187 L C 2.143 179.018 176.870 0.008 0.000 1.085 187 L CA 1.069 55.938 54.840 0.048 0.000 0.755 187 L CB -0.602 41.457 42.059 -0.000 0.000 0.904 187 L HN 0.247 nan 8.230 nan 0.000 0.435 188 L N -0.495 120.681 121.223 -0.078 0.000 2.156 188 L HA -0.200 4.140 4.340 -0.000 0.000 0.208 188 L C 2.158 178.952 176.870 -0.127 0.000 1.095 188 L CA 1.138 55.910 54.840 -0.113 0.000 0.770 188 L CB -0.463 41.510 42.059 -0.143 0.000 0.914 188 L HN 0.285 nan 8.230 nan 0.000 0.439 189 D N -0.562 119.708 120.400 -0.217 0.000 2.097 189 D HA -0.275 4.365 4.640 -0.000 0.000 0.195 189 D C 2.085 178.391 176.300 0.011 0.000 0.989 189 D CA 1.240 55.133 54.000 -0.179 0.000 0.827 189 D CB -0.054 40.608 40.800 -0.231 0.000 0.966 189 D HN 0.241 nan 8.370 nan 0.000 0.456 190 Y N 1.289 121.602 120.300 0.022 0.000 2.145 190 Y HA -0.134 4.416 4.550 -0.000 0.000 0.286 190 Y C 2.248 178.264 175.900 0.193 0.000 1.145 190 Y CA 1.812 60.024 58.100 0.187 0.000 1.148 190 Y CB -0.134 38.477 38.460 0.251 0.000 0.981 190 Y HN -0.102 nan 8.280 nan 0.000 0.507 191 R N -0.188 120.507 120.500 0.326 0.000 2.091 191 R HA -0.182 4.158 4.340 -0.000 0.000 0.238 191 R C 1.771 178.135 176.300 0.106 0.000 1.136 191 R CA 1.474 57.657 56.100 0.137 0.000 0.959 191 R CB -0.527 29.650 30.300 -0.205 0.000 0.856 191 R HN 0.365 nan 8.270 nan 0.000 0.437 192 N N 0.783 119.480 118.700 -0.006 0.000 2.381 192 N HA -0.104 4.636 4.740 -0.000 0.000 0.182 192 N C 1.269 176.682 175.510 -0.162 0.000 1.025 192 N CA 1.136 54.151 53.050 -0.059 0.000 0.888 192 N CB 0.062 38.501 38.487 -0.080 0.000 0.965 192 N HN 0.301 nan 8.380 nan 0.000 0.438 193 K N -0.852 119.364 120.400 -0.307 0.000 2.128 193 K HA 0.122 4.441 4.320 -0.000 0.000 0.202 193 K C 0.918 177.038 176.600 -0.801 0.000 1.050 193 K CA 0.789 56.671 56.287 -0.675 0.000 0.966 193 K CB 0.104 31.925 32.500 -1.133 0.000 0.759 193 K HN 0.077 nan 8.250 nan 0.000 0.454 194 F N -1.340 118.540 119.950 -0.115 0.000 2.694 194 F HA 0.150 4.677 4.527 -0.000 0.000 0.292 194 F C 0.340 176.150 175.800 0.015 0.000 1.121 194 F CA -0.386 57.537 58.000 -0.128 0.000 1.352 194 F CB 0.086 38.916 39.000 -0.282 0.000 1.107 194 F HN -0.147 nan 8.300 nan 0.000 0.597 195 Y N 2.427 122.825 120.300 0.163 0.000 2.570 195 Y HA 0.289 4.839 4.550 -0.000 0.000 0.336 195 Y C 0.805 176.810 175.900 0.175 0.000 1.284 195 Y CA -0.896 57.354 58.100 0.251 0.000 1.761 195 Y CB -0.852 37.778 38.460 0.283 0.000 1.724 195 Y HN -0.083 nan 8.280 nan 0.000 0.455 196 T N -1.495 113.026 114.554 -0.054 0.000 2.907 196 T HA 0.342 4.692 4.350 -0.000 0.000 0.292 196 T C -2.035 172.086 174.700 -0.965 0.000 1.043 196 T CA -2.568 59.200 62.100 -0.552 0.000 1.003 196 T CB 2.694 71.323 68.868 -0.398 0.000 1.084 196 T HN 0.033 nan 8.240 nan 0.000 0.483 197 P HA -0.175 nan 4.420 nan 0.000 0.216 197 P C 1.221 178.278 177.300 -0.404 0.000 1.150 197 P CA 1.296 63.793 63.100 -1.004 0.000 0.837 197 P CB 0.126 31.346 31.700 -0.800 0.000 0.786 198 E N -0.239 119.747 120.200 -0.357 0.000 2.478 198 E HA -0.134 4.216 4.350 -0.000 0.000 0.198 198 E C 0.926 177.441 176.600 -0.142 0.000 1.046 198 E CA 0.749 57.032 56.400 -0.196 0.000 0.870 198 E CB -0.917 28.676 29.700 -0.179 0.000 0.818 198 E HN 0.188 nan 8.360 nan 0.000 0.527 199 N N 0.159 118.758 118.700 -0.168 0.000 2.234 199 N HA 0.070 4.810 4.740 -0.000 0.000 0.227 199 N C -1.175 174.307 175.510 -0.047 0.000 1.151 199 N CA 0.035 53.026 53.050 -0.099 0.000 0.865 199 N CB 0.795 39.220 38.487 -0.104 0.000 1.066 199 N HN -0.060 nan 8.380 nan 0.000 0.515 200 T N -0.792 113.745 114.554 -0.028 0.000 2.900 200 T HA 0.549 4.899 4.350 -0.000 0.000 0.295 200 T C -0.969 173.794 174.700 0.104 0.000 1.044 200 T CA -0.538 61.602 62.100 0.066 0.000 0.995 200 T CB 2.389 71.352 68.868 0.159 0.000 1.072 200 T HN -0.298 nan 8.240 nan 0.000 0.473 201 V N 1.516 121.526 119.914 0.161 0.000 2.656 201 V HA 0.816 4.936 4.120 -0.000 0.000 0.307 201 V C -0.468 175.767 176.094 0.235 0.000 1.051 201 V CA -0.937 61.469 62.300 0.177 0.000 0.893 201 V CB 1.831 33.738 31.823 0.140 0.000 0.999 201 V HN 1.112 nan 8.190 nan 0.000 0.426 202 A N 3.533 126.476 122.820 0.204 0.000 2.273 202 A HA 0.937 5.257 4.320 -0.000 0.000 0.315 202 A C -0.120 177.530 177.584 0.110 0.000 1.256 202 A CA -0.193 51.929 52.037 0.141 0.000 0.851 202 A CB 1.077 20.208 19.000 0.219 0.000 1.172 202 A HN 1.332 nan 8.150 nan 0.000 0.508 203 A N 1.980 124.766 122.820 -0.057 0.000 2.374 203 A HA 0.950 5.270 4.320 -0.000 0.000 0.317 203 A C -1.165 176.215 177.584 -0.340 0.000 1.094 203 A CA -0.428 51.611 52.037 0.003 0.000 0.765 203 A CB 0.752 19.779 19.000 0.045 0.000 1.268 203 A HN 0.787 nan 8.150 nan 0.000 0.438 204 F N 0.285 120.332 119.950 0.161 0.000 2.591 204 F HA 0.575 5.102 4.527 -0.000 0.000 0.309 204 F C -0.298 175.577 175.800 0.125 0.000 1.098 204 F CA -0.899 57.184 58.000 0.139 0.000 0.937 204 F CB 2.312 41.378 39.000 0.110 0.000 1.250 204 F HN 0.284 nan 8.300 nan 0.000 0.447 205 V N 1.548 121.630 119.914 0.279 0.000 2.409 205 V HA 0.662 4.782 4.120 -0.000 0.000 0.291 205 V C 0.398 176.578 176.094 0.142 0.000 1.020 205 V CA -0.280 62.128 62.300 0.181 0.000 0.848 205 V CB 1.122 33.017 31.823 0.120 0.000 0.990 205 V HN 1.068 nan 8.190 nan 0.000 0.430 206 G N 4.278 113.141 108.800 0.104 0.000 2.137 206 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.237 206 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.237 206 G C -0.229 174.715 174.900 0.074 0.000 1.002 206 G CA 0.135 45.269 45.100 0.056 0.000 0.702 206 G HN 0.823 nan 8.290 nan 0.000 0.515 207 V N 0.800 120.774 119.914 0.099 0.000 2.531 207 V HA 0.516 4.636 4.120 -0.000 0.000 0.301 207 V C -1.975 174.122 176.094 0.006 0.000 1.034 207 V CA -1.829 60.500 62.300 0.049 0.000 0.865 207 V CB 2.178 34.028 31.823 0.046 0.000 0.995 207 V HN 0.111 nan 8.190 nan 0.000 0.424 208 P HA 0.071 nan 4.420 nan 0.000 0.265 208 P C 0.602 177.881 177.300 -0.036 0.000 1.193 208 P CA 0.204 63.301 63.100 -0.006 0.000 0.765 208 P CB 0.466 32.159 31.700 -0.012 0.000 0.823 209 H N 2.312 121.331 119.070 -0.084 0.000 2.390 209 H HA -0.222 4.334 4.556 -0.000 0.000 0.298 209 H C 1.781 177.041 175.328 -0.115 0.000 1.106 209 H CA 2.181 58.165 56.048 -0.106 0.000 1.297 209 H CB 0.087 29.796 29.762 -0.088 0.000 1.375 209 H HN 0.442 nan 8.280 nan 0.000 0.509 210 E N 0.316 120.493 120.200 -0.038 0.000 2.051 210 E HA -0.181 4.168 4.350 -0.000 0.000 0.192 210 E C 2.175 178.689 176.600 -0.143 0.000 0.991 210 E CA 1.508 57.861 56.400 -0.078 0.000 0.799 210 E CB -0.106 29.578 29.700 -0.027 0.000 0.748 210 E HN 0.258 nan 8.360 nan 0.000 0.449 211 K N 0.129 120.446 120.400 -0.139 0.000 2.097 211 K HA -0.013 4.307 4.320 -0.000 0.000 0.206 211 K C 1.821 178.268 176.600 -0.255 0.000 1.049 211 K CA 1.479 57.675 56.287 -0.151 0.000 0.933 211 K CB -0.651 31.781 32.500 -0.114 0.000 0.717 211 K HN 0.178 nan 8.250 nan 0.000 0.442 212 A N 0.563 123.130 122.820 -0.421 0.000 1.902 212 A HA -0.091 4.229 4.320 -0.000 0.000 0.217 212 A C 2.201 179.535 177.584 -0.416 0.000 1.181 212 A CA 1.532 53.147 52.037 -0.702 0.000 0.623 212 A CB -0.669 17.743 19.000 -0.980 0.000 0.818 212 A HN 0.317 nan 8.150 nan 0.000 0.443 213 L N -0.946 120.058 121.223 -0.364 0.000 2.083 213 L HA -0.204 4.136 4.340 -0.000 0.000 0.209 213 L C 2.606 179.400 176.870 -0.127 0.000 1.083 213 L CA 1.557 56.266 54.840 -0.219 0.000 0.752 213 L CB -0.534 41.401 42.059 -0.208 0.000 0.899 213 L HN 0.510 nan 8.230 nan 0.000 0.433 214 E N 0.296 120.416 120.200 -0.134 0.000 2.012 214 E HA -0.236 4.114 4.350 -0.000 0.000 0.197 214 E C 2.325 178.873 176.600 -0.085 0.000 1.007 214 E CA 1.361 57.703 56.400 -0.096 0.000 0.816 214 E CB -0.129 29.517 29.700 -0.089 0.000 0.762 214 E HN 0.381 nan 8.360 nan 0.000 0.451 215 L N 0.347 121.532 121.223 -0.064 0.000 2.042 215 L HA -0.208 4.132 4.340 -0.000 0.000 0.210 215 L C 2.660 179.607 176.870 0.129 0.000 1.076 215 L CA 1.312 56.175 54.840 0.038 0.000 0.749 215 L CB -0.646 41.486 42.059 0.122 0.000 0.893 215 L HN 0.223 nan 8.230 nan 0.000 0.432 216 T N -0.277 114.345 114.554 0.113 0.000 2.708 216 T HA -0.134 4.216 4.350 -0.000 0.000 0.266 216 T C 1.833 176.603 174.700 0.117 0.000 1.037 216 T CA 1.441 63.653 62.100 0.186 0.000 1.146 216 T CB -0.550 68.423 68.868 0.175 0.000 0.865 216 T HN 0.575 nan 8.240 nan 0.000 0.435 217 G N 1.196 110.015 108.800 0.033 0.000 2.422 217 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.218 217 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.218 217 G C 1.478 176.357 174.900 -0.034 0.000 1.146 217 G CA 1.017 46.124 45.100 0.012 0.000 0.769 217 G HN 0.474 nan 8.290 nan 0.000 0.547 218 K N -0.941 119.375 120.400 -0.141 0.000 2.148 218 K HA -0.053 4.267 4.320 -0.000 0.000 0.204 218 K C 1.647 178.014 176.600 -0.389 0.000 1.050 218 K CA 1.027 57.109 56.287 -0.342 0.000 0.942 218 K CB -0.122 32.016 32.500 -0.604 0.000 0.724 218 K HN 0.448 nan 8.250 nan 0.000 0.446 219 Y N -1.458 118.877 120.300 0.059 0.000 2.483 219 Y HA 0.160 4.710 4.550 -0.000 0.000 0.258 219 Y C 1.042 176.976 175.900 0.056 0.000 1.083 219 Y CA -0.213 57.922 58.100 0.060 0.000 1.283 219 Y CB 0.806 39.296 38.460 0.050 0.000 1.178 219 Y HN -0.039 nan 8.280 nan 0.000 0.515 220 L N -1.453 119.902 121.223 0.220 0.000 2.920 220 L HA 0.391 4.731 4.340 -0.000 0.000 0.257 220 L C 2.159 179.186 176.870 0.263 0.000 1.150 220 L CA 0.543 55.519 54.840 0.225 0.000 0.959 220 L CB -0.809 41.406 42.059 0.260 0.000 1.321 220 L HN 0.194 nan 8.230 nan 0.000 0.555 221 G N 0.850 109.752 108.800 0.170 0.000 2.469 221 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.219 221 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.219 221 G C 1.027 176.013 174.900 0.144 0.000 1.150 221 G CA 1.215 46.393 45.100 0.130 0.000 0.763 221 G HN 0.557 nan 8.290 nan 0.000 0.561 222 D N -1.521 118.976 120.400 0.161 0.000 2.328 222 D HA -0.033 4.607 4.640 -0.000 0.000 0.226 222 D C 0.417 176.865 176.300 0.247 0.000 1.066 222 D CA -0.695 53.403 54.000 0.162 0.000 0.861 222 D CB -0.324 40.558 40.800 0.137 0.000 0.912 222 D HN 0.253 nan 8.370 nan 0.000 0.521 223 W N 2.796 124.118 121.300 0.037 0.000 2.251 223 W HA 0.215 4.875 4.660 -0.000 0.000 0.327 223 W C -0.291 176.224 176.519 -0.008 0.000 1.361 223 W CA -0.588 56.762 57.345 0.007 0.000 1.234 223 W CB 0.301 29.748 29.460 -0.021 0.000 1.212 223 W HN -0.078 nan 8.180 nan 0.000 0.557 224 Q N 4.020 123.890 119.800 0.117 0.000 2.345 224 Q HA 0.315 4.655 4.340 -0.000 0.000 0.268 224 Q C -0.243 175.587 176.000 -0.283 0.000 1.054 224 Q CA -0.946 54.799 55.803 -0.096 0.000 0.835 224 Q CB 2.217 30.965 28.738 0.016 0.000 1.339 224 Q HN 0.452 nan 8.270 nan 0.000 0.447 225 S N -0.002 115.457 115.700 -0.401 0.000 2.584 225 S HA 0.082 4.552 4.470 -0.000 0.000 0.270 225 S C 0.924 175.283 174.600 -0.402 0.000 1.346 225 S CA 0.174 58.061 58.200 -0.523 0.000 1.018 225 S CB 0.536 63.291 63.200 -0.741 0.000 0.899 225 S HN 0.750 nan 8.310 nan 0.000 0.542 226 T N -0.027 114.340 114.554 -0.311 0.000 3.069 226 T HA 0.228 4.578 4.350 -0.000 0.000 0.252 226 T C 0.171 174.828 174.700 -0.072 0.000 1.053 226 T CA 0.004 62.022 62.100 -0.136 0.000 0.964 226 T CB -0.496 68.321 68.868 -0.086 0.000 1.005 226 T HN 0.831 nan 8.240 nan 0.000 0.532 227 H N 2.150 121.159 119.070 -0.102 0.000 2.672 227 H HA -0.074 4.482 4.556 -0.000 0.000 0.325 227 H C -2.129 173.140 175.328 -0.099 0.000 1.158 227 H CA 0.658 56.649 56.048 -0.095 0.000 1.134 227 H CB -1.654 28.066 29.762 -0.070 0.000 1.553 227 H HN 0.533 nan 8.280 nan 0.000 0.419 228 P HA 0.225 nan 4.420 nan 0.000 0.274 228 P C -2.369 174.875 177.300 -0.094 0.000 1.256 228 P CA -1.265 61.771 63.100 -0.107 0.000 0.795 228 P CB 0.393 31.966 31.700 -0.211 0.000 1.038 229 P HA 0.225 nan 4.420 nan 0.000 0.276 229 P C -0.484 176.758 177.300 -0.096 0.000 1.243 229 P CA -0.094 62.964 63.100 -0.070 0.000 0.768 229 P CB -0.049 31.620 31.700 -0.051 0.000 0.856 230 I N 2.723 123.254 120.570 -0.064 0.000 2.505 230 I HA 0.066 4.236 4.170 -0.000 0.000 0.287 230 I C 1.241 177.344 176.117 -0.024 0.000 1.104 230 I CA 0.754 62.019 61.300 -0.058 0.000 1.387 230 I CB -0.333 37.650 38.000 -0.029 0.000 1.404 230 I HN 0.359 nan 8.210 nan 0.000 0.528 231 T N 1.994 116.541 114.554 -0.012 0.000 3.331 231 T HA 0.322 4.672 4.350 -0.000 0.000 0.282 231 T C 0.323 175.107 174.700 0.140 0.000 1.010 231 T CA -0.769 61.365 62.100 0.057 0.000 0.928 231 T CB -0.503 68.401 68.868 0.060 0.000 1.154 231 T HN 0.385 nan 8.240 nan 0.000 0.516 232 K N 2.351 122.829 120.400 0.129 0.000 2.266 232 K HA 0.350 4.670 4.320 -0.000 0.000 0.274 232 K C -0.227 176.479 176.600 0.176 0.000 1.090 232 K CA -0.442 55.980 56.287 0.225 0.000 0.925 232 K CB 1.035 33.649 32.500 0.190 0.000 1.225 232 K HN 0.329 nan 8.250 nan 0.000 0.458 233 K N 1.616 122.115 120.400 0.165 0.000 2.174 233 K HA 0.172 4.492 4.320 -0.000 0.000 0.275 233 K C 0.321 176.966 176.600 0.074 0.000 1.015 233 K CA -0.804 55.541 56.287 0.097 0.000 0.933 233 K CB 1.021 33.563 32.500 0.071 0.000 1.025 233 K HN 0.298 nan 8.250 nan 0.000 0.463 234 V N -0.344 119.609 119.914 0.065 0.000 2.881 234 V HA 0.428 4.548 4.120 -0.000 0.000 0.303 234 V C 0.274 176.391 176.094 0.039 0.000 1.070 234 V CA -0.930 61.404 62.300 0.057 0.000 1.074 234 V CB 0.899 32.764 31.823 0.070 0.000 1.012 234 V HN 0.816 nan 8.190 nan 0.000 0.482 235 A N 3.915 126.749 122.820 0.024 0.000 2.409 235 A HA 0.473 4.793 4.320 -0.000 0.000 0.262 235 A C 0.230 177.924 177.584 0.185 0.000 1.113 235 A CA -0.367 51.685 52.037 0.025 0.000 0.790 235 A CB -0.047 18.899 19.000 -0.090 0.000 1.046 235 A HN 0.953 nan 8.150 nan 0.000 0.496 236 Q N 1.805 121.758 119.800 0.256 0.000 2.456 236 Q HA 0.216 4.556 4.340 -0.000 0.000 0.252 236 Q C -1.439 174.750 176.000 0.314 0.000 1.042 236 Q CA -0.372 55.579 55.803 0.247 0.000 0.766 236 Q CB 1.638 30.460 28.738 0.141 0.000 1.196 236 Q HN 0.752 nan 8.270 nan 0.000 0.504 237 Y N 2.274 122.662 120.300 0.148 0.000 2.526 237 Y HA -0.053 4.497 4.550 -0.000 0.000 0.330 237 Y C 1.111 176.941 175.900 -0.116 0.000 1.156 237 Y CA 1.330 59.323 58.100 -0.177 0.000 1.419 237 Y CB 0.835 39.192 38.460 -0.172 0.000 1.250 237 Y HN 0.661 nan 8.280 nan 0.000 0.540 238 T N 1.693 115.832 114.554 -0.692 0.000 2.989 238 T HA 0.515 4.865 4.350 -0.000 0.000 0.250 238 T C 0.857 175.238 174.700 -0.532 0.000 0.981 238 T CA 0.320 62.181 62.100 -0.399 0.000 0.980 238 T CB -0.479 68.238 68.868 -0.252 0.000 1.133 238 T HN 1.497 nan 8.240 nan 0.000 0.489 239 G N -0.075 108.102 108.800 -1.039 0.000 2.795 239 G HA2 0.412 4.372 3.960 -0.000 0.000 0.664 239 G HA3 0.412 4.372 3.960 -0.000 0.000 0.664 239 G C -0.004 174.684 174.900 -0.354 0.000 1.381 239 G CA -0.530 44.194 45.100 -0.627 0.000 0.853 239 G HN 1.898 nan 8.290 nan 0.000 0.545 240 G N -1.017 107.647 108.800 -0.228 0.000 2.356 240 G HA2 0.597 4.557 3.960 -0.000 0.000 0.300 240 G HA3 0.597 4.557 3.960 -0.000 0.000 0.300 240 G C -1.231 173.591 174.900 -0.129 0.000 1.331 240 G CA 0.269 45.275 45.100 -0.157 0.000 0.905 240 G HN 0.990 nan 8.290 nan 0.000 0.587 241 E N -0.888 119.252 120.200 -0.100 0.000 2.317 241 E HA 0.743 5.093 4.350 -0.000 0.000 0.270 241 E C -1.068 175.483 176.600 -0.082 0.000 0.885 241 E CA -0.797 55.547 56.400 -0.092 0.000 0.760 241 E CB 2.362 32.018 29.700 -0.074 0.000 1.227 241 E HN 0.517 nan 8.360 nan 0.000 0.434 242 S N 0.734 116.380 115.700 -0.090 0.000 2.543 242 S HA 0.473 4.943 4.470 -0.000 0.000 0.274 242 S C -2.034 172.513 174.600 -0.089 0.000 1.149 242 S CA -0.550 57.606 58.200 -0.073 0.000 0.866 242 S CB 1.468 64.635 63.200 -0.055 0.000 1.111 242 S HN 0.597 nan 8.310 nan 0.000 0.457 243 C N 5.533 124.792 119.300 -0.069 0.000 2.642 243 C HA 0.770 5.230 4.460 -0.000 0.000 0.344 243 C C -0.927 174.034 174.990 -0.049 0.000 1.110 243 C CA -0.705 58.267 59.018 -0.077 0.000 1.298 243 C CB -0.622 27.071 27.740 -0.078 0.000 1.827 243 C HN 0.860 nan 8.230 nan 0.000 0.467 244 I N 3.379 123.925 120.570 -0.039 0.000 2.707 244 I HA 0.748 4.918 4.170 -0.000 0.000 0.309 244 I C -2.614 173.475 176.117 -0.046 0.000 1.001 244 I CA -2.582 58.703 61.300 -0.025 0.000 1.129 244 I CB 1.264 39.278 38.000 0.023 0.000 1.308 244 I HN 0.311 nan 8.210 nan 0.000 0.466 245 P HA 0.205 nan 4.420 nan 0.000 0.269 245 P C -2.527 174.739 177.300 -0.057 0.000 1.217 245 P CA -0.609 62.456 63.100 -0.059 0.000 0.783 245 P CB -0.313 31.363 31.700 -0.040 0.000 0.898 246 P HA 0.070 nan 4.420 nan 0.000 0.269 246 P C -0.540 176.777 177.300 0.028 0.000 1.209 246 P CA 0.247 63.327 63.100 -0.034 0.000 0.776 246 P CB 0.254 31.975 31.700 0.034 0.000 0.876 247 A N 4.526 127.391 122.820 0.075 0.000 2.407 247 A HA 0.394 4.714 4.320 -0.000 0.000 0.248 247 A C -1.978 175.551 177.584 -0.091 0.000 1.082 247 A CA -0.992 51.068 52.037 0.039 0.000 0.785 247 A CB -1.327 17.744 19.000 0.117 0.000 1.020 247 A HN 0.431 nan 8.150 nan 0.000 0.489 248 P HA 0.225 nan 4.420 nan 0.000 0.268 248 P C -0.395 176.505 177.300 -0.668 0.000 1.204 248 P CA -0.165 62.737 63.100 -0.329 0.000 0.768 248 P CB 0.483 32.027 31.700 -0.260 0.000 0.842 249 V N 1.408 121.079 119.914 -0.405 0.000 2.397 249 V HA 0.191 4.311 4.120 -0.000 0.000 0.262 249 V C 0.419 176.319 176.094 -0.324 0.000 1.047 249 V CA -0.147 61.948 62.300 -0.340 0.000 1.003 249 V CB -1.386 30.364 31.823 -0.121 0.000 1.037 249 V HN 0.241 nan 8.190 nan 0.000 0.480 250 F N 4.121 124.100 119.950 0.048 0.000 2.142 250 F HA 0.578 5.105 4.527 -0.000 0.000 0.199 250 F C 2.034 177.852 175.800 0.031 0.000 0.732 250 F CA 0.920 58.944 58.000 0.039 0.000 1.126 250 F CB -0.964 38.060 39.000 0.041 0.000 2.153 250 F HN 0.589 nan 8.300 nan 0.000 0.646 251 G N 0.043 109.019 108.800 0.293 0.000 2.586 251 G HA2 -0.117 3.843 3.960 -0.000 0.000 0.199 251 G HA3 -0.117 3.843 3.960 -0.000 0.000 0.199 251 G C 0.872 175.840 174.900 0.113 0.000 1.614 251 G CA 0.540 45.730 45.100 0.149 0.000 0.921 251 G HN 0.595 nan 8.290 nan 0.000 0.428 252 N N -0.062 118.694 118.700 0.094 0.000 2.416 252 N HA 0.080 4.820 4.740 -0.000 0.000 0.177 252 N C 0.975 176.536 175.510 0.086 0.000 1.036 252 N CA -0.090 53.002 53.050 0.071 0.000 0.901 252 N CB -0.433 38.084 38.487 0.050 0.000 0.976 252 N HN 0.299 nan 8.380 nan 0.000 0.444 253 L N 1.382 122.681 121.223 0.128 0.000 2.615 253 L HA 0.078 4.418 4.340 -0.000 0.000 0.284 253 L C -1.910 175.036 176.870 0.127 0.000 1.237 253 L CA -1.109 53.822 54.840 0.151 0.000 0.905 253 L CB -0.229 41.986 42.059 0.260 0.000 1.149 253 L HN 0.064 nan 8.230 nan 0.000 0.499 254 P HA 0.088 nan 4.420 nan 0.000 0.276 254 P C -0.586 176.756 177.300 0.072 0.000 1.230 254 P CA -0.432 62.708 63.100 0.067 0.000 0.776 254 P CB 0.640 32.374 31.700 0.058 0.000 0.888 255 E N 3.185 123.404 120.200 0.033 0.000 2.360 255 E HA 0.271 4.621 4.350 -0.000 0.000 0.269 255 E C -1.087 175.523 176.600 0.016 0.000 1.022 255 E CA -0.249 56.170 56.400 0.031 0.000 0.887 255 E CB 0.219 29.917 29.700 -0.004 0.000 0.990 255 E HN 0.356 nan 8.360 nan 0.000 0.426 256 L N 3.912 125.176 121.223 0.069 0.000 2.371 256 L HA 0.517 4.857 4.340 -0.000 0.000 0.262 256 L C -0.881 176.059 176.870 0.116 0.000 1.006 256 L CA -1.069 53.762 54.840 -0.014 0.000 0.818 256 L CB 1.301 43.294 42.059 -0.111 0.000 1.354 256 L HN 0.550 nan 8.230 nan 0.000 0.415 257 F N 0.395 120.190 119.950 -0.259 0.000 2.483 257 F HA 0.596 5.123 4.527 -0.000 0.000 0.329 257 F C 0.337 175.978 175.800 -0.265 0.000 1.064 257 F CA -0.788 57.150 58.000 -0.103 0.000 0.986 257 F CB 1.457 40.472 39.000 0.024 0.000 1.218 257 F HN 0.310 nan 8.300 nan 0.000 0.484 258 H N 2.041 121.330 119.070 0.365 0.000 2.821 258 H HA 0.664 5.220 4.556 -0.000 0.000 0.373 258 H C -1.203 174.205 175.328 0.133 0.000 1.165 258 H CA -0.758 55.426 56.048 0.226 0.000 1.154 258 H CB 3.302 33.142 29.762 0.129 0.000 1.765 258 H HN 0.590 nan 8.280 nan 0.000 0.549 259 I N 1.100 121.794 120.570 0.207 0.000 2.722 259 I HA 0.179 4.349 4.170 -0.000 0.000 0.292 259 I C -1.628 174.534 176.117 0.074 0.000 1.267 259 I CA -0.326 60.984 61.300 0.016 0.000 1.036 259 I CB 2.541 40.514 38.000 -0.045 0.000 1.281 259 I HN 0.511 nan 8.210 nan 0.000 0.423 260 Q N 7.333 127.154 119.800 0.035 0.000 2.347 260 Q HA 0.628 4.968 4.340 -0.000 0.000 0.271 260 Q C -1.481 174.588 176.000 0.115 0.000 1.064 260 Q CA -0.771 55.119 55.803 0.144 0.000 0.800 260 Q CB 3.265 32.058 28.738 0.091 0.000 1.304 260 Q HN 0.548 nan 8.270 nan 0.000 0.438 261 I N 1.252 121.938 120.570 0.192 0.000 2.447 261 I HA 0.658 4.828 4.170 -0.000 0.000 0.287 261 I C -0.021 176.196 176.117 0.166 0.000 1.023 261 I CA -0.612 60.742 61.300 0.090 0.000 1.083 261 I CB 2.105 40.125 38.000 0.034 0.000 1.245 261 I HN 0.688 nan 8.210 nan 0.000 0.434 262 G N 4.739 113.583 108.800 0.074 0.000 2.766 262 G HA2 0.820 4.780 3.960 -0.000 0.000 0.288 262 G HA3 0.820 4.780 3.960 -0.000 0.000 0.288 262 G C -1.686 173.110 174.900 -0.174 0.000 1.408 262 G CA -0.398 44.803 45.100 0.168 0.000 0.852 262 G HN 0.308 nan 8.290 nan 0.000 0.487 263 F N -0.931 119.149 119.950 0.217 0.000 2.629 263 F HA 0.481 5.008 4.527 -0.000 0.000 0.316 263 F C 0.307 175.978 175.800 -0.215 0.000 1.081 263 F CA -0.838 57.191 58.000 0.048 0.000 0.954 263 F CB 2.168 41.178 39.000 0.017 0.000 1.337 263 F HN 0.529 nan 8.300 nan 0.000 0.474 264 E N 0.740 120.542 120.200 -0.663 0.000 2.465 264 E HA 0.369 4.719 4.350 -0.000 0.000 0.260 264 E C 0.181 176.637 176.600 -0.240 0.000 0.980 264 E CA 0.170 56.122 56.400 -0.747 0.000 0.927 264 E CB 0.594 29.638 29.700 -1.094 0.000 0.934 264 E HN 0.762 nan 8.360 nan 0.000 0.459 265 G N 3.920 112.680 108.800 -0.066 0.000 2.849 265 G HA2 0.492 4.451 3.960 -0.000 0.000 0.174 265 G HA3 0.492 4.451 3.960 -0.000 0.000 0.174 265 G C -0.636 174.202 174.900 -0.103 0.000 1.370 265 G CA -0.659 44.410 45.100 -0.051 0.000 1.040 265 G HN 0.505 nan 8.290 nan 0.000 0.582 266 L N 0.285 121.445 121.223 -0.105 0.000 2.323 266 L HA 0.427 4.767 4.340 -0.000 0.000 0.265 266 L C -2.472 174.386 176.870 -0.019 0.000 1.012 266 L CA -1.969 52.781 54.840 -0.150 0.000 0.820 266 L CB 2.610 44.455 42.059 -0.357 0.000 1.334 266 L HN 0.215 nan 8.230 nan 0.000 0.427 267 P HA 0.062 nan 4.420 nan 0.000 0.275 267 P C 0.882 178.211 177.300 0.048 0.000 1.228 267 P CA -0.490 62.664 63.100 0.090 0.000 0.786 267 P CB 0.459 32.234 31.700 0.124 0.000 0.927 268 I N 0.834 121.422 120.570 0.030 0.000 2.657 268 I HA -0.180 3.990 4.170 -0.000 0.000 0.261 268 I C 0.336 176.429 176.117 -0.039 0.000 1.212 268 I CA 1.884 63.173 61.300 -0.019 0.000 1.453 268 I CB -1.560 36.440 38.000 -0.001 0.000 1.092 268 I HN 0.239 nan 8.210 nan 0.000 0.452 269 D N -0.972 119.425 120.400 -0.006 0.000 2.402 269 D HA -0.001 4.639 4.640 -0.000 0.000 0.216 269 D C 1.047 177.307 176.300 -0.067 0.000 1.128 269 D CA -0.323 53.628 54.000 -0.082 0.000 0.833 269 D CB -0.743 39.963 40.800 -0.156 0.000 0.971 269 D HN 0.397 nan 8.370 nan 0.000 0.503 270 H N 1.435 120.440 119.070 -0.109 0.000 2.815 270 H HA 0.086 4.642 4.556 -0.000 0.000 0.350 270 H C -1.525 173.735 175.328 -0.113 0.000 1.080 270 H CA -1.124 54.867 56.048 -0.093 0.000 1.433 270 H CB 1.575 31.288 29.762 -0.082 0.000 1.432 270 H HN -0.201 nan 8.280 nan 0.000 0.592 271 P HA -0.138 nan 4.420 nan 0.000 0.216 271 P C 0.426 177.804 177.300 0.130 0.000 1.150 271 P CA 1.384 64.456 63.100 -0.046 0.000 0.843 271 P CB 0.330 31.935 31.700 -0.159 0.000 0.787 272 D N -1.619 118.988 120.400 0.345 0.000 2.325 272 D HA 0.027 4.667 4.640 -0.000 0.000 0.225 272 D C 1.631 177.927 176.300 -0.007 0.000 1.096 272 D CA -0.118 53.960 54.000 0.130 0.000 0.844 272 D CB -0.318 40.511 40.800 0.050 0.000 0.925 272 D HN 0.061 nan 8.370 nan 0.000 0.513 273 I N 0.501 121.038 120.570 -0.056 0.000 2.286 273 I HA -0.283 3.887 4.170 -0.000 0.000 0.248 273 I C 1.510 177.498 176.117 -0.215 0.000 1.115 273 I CA 1.361 62.540 61.300 -0.203 0.000 1.392 273 I CB -0.436 37.382 38.000 -0.302 0.000 1.065 273 I HN 0.021 nan 8.210 nan 0.000 0.418 274 Y N 0.823 121.121 120.300 -0.003 0.000 2.242 274 Y HA -0.120 4.430 4.550 -0.000 0.000 0.291 274 Y C 2.602 178.489 175.900 -0.021 0.000 1.137 274 Y CA 1.285 59.380 58.100 -0.008 0.000 1.181 274 Y CB -1.147 37.309 38.460 -0.008 0.000 0.989 274 Y HN 0.178 nan 8.280 nan 0.000 0.527 275 A N -0.074 122.808 122.820 0.102 0.000 1.877 275 A HA -0.182 4.138 4.320 -0.000 0.000 0.216 275 A C 2.204 179.762 177.584 -0.043 0.000 1.186 275 A CA 1.675 53.723 52.037 0.019 0.000 0.620 275 A CB -1.101 17.886 19.000 -0.022 0.000 0.822 275 A HN 0.392 nan 8.150 nan 0.000 0.443 276 L N -0.221 120.940 121.223 -0.103 0.000 2.046 276 L HA -0.096 4.244 4.340 -0.000 0.000 0.208 276 L C 2.715 179.585 176.870 0.001 0.000 1.077 276 L CA 2.174 56.910 54.840 -0.174 0.000 0.747 276 L CB -0.811 41.108 42.059 -0.234 0.000 0.896 276 L HN 0.364 nan 8.230 nan 0.000 0.432 277 A N -1.904 120.937 122.820 0.035 0.000 1.933 277 A HA -0.192 4.128 4.320 -0.000 0.000 0.218 277 A C 2.251 179.891 177.584 0.093 0.000 1.175 277 A CA 2.177 54.264 52.037 0.083 0.000 0.628 277 A CB -1.118 17.920 19.000 0.064 0.000 0.814 277 A HN 0.497 nan 8.150 nan 0.000 0.444 278 T N 0.168 114.768 114.554 0.077 0.000 2.788 278 T HA -0.139 4.211 4.350 -0.000 0.000 0.268 278 T C 1.811 176.554 174.700 0.072 0.000 1.044 278 T CA 1.499 63.640 62.100 0.069 0.000 1.139 278 T CB -0.352 68.549 68.868 0.054 0.000 0.867 278 T HN 0.339 nan 8.240 nan 0.000 0.454 279 L N 1.352 122.611 121.223 0.061 0.000 2.083 279 L HA -0.036 4.304 4.340 -0.000 0.000 0.209 279 L C 2.473 179.465 176.870 0.202 0.000 1.083 279 L CA 1.739 56.631 54.840 0.087 0.000 0.752 279 L CB -0.813 41.226 42.059 -0.034 0.000 0.899 279 L HN 0.126 nan 8.230 nan 0.000 0.433 280 Q N -0.907 119.054 119.800 0.269 0.000 2.119 280 Q HA -0.164 4.176 4.340 -0.000 0.000 0.201 280 Q C 1.898 177.952 176.000 0.091 0.000 0.972 280 Q CA 2.197 58.124 55.803 0.206 0.000 0.847 280 Q CB -0.122 28.704 28.738 0.147 0.000 0.903 280 Q HN 0.584 nan 8.270 nan 0.000 0.433 281 T N 1.806 116.414 114.554 0.090 0.000 2.857 281 T HA -0.062 4.288 4.350 -0.000 0.000 0.266 281 T C 1.883 176.629 174.700 0.076 0.000 1.048 281 T CA 0.890 63.033 62.100 0.072 0.000 1.139 281 T CB -0.176 68.734 68.868 0.068 0.000 0.874 281 T HN 0.286 nan 8.240 nan 0.000 0.455 282 L N 0.461 121.732 121.223 0.079 0.000 2.083 282 L HA 0.004 4.344 4.340 -0.000 0.000 0.209 282 L C 2.122 179.029 176.870 0.062 0.000 1.083 282 L CA 1.287 56.169 54.840 0.070 0.000 0.752 282 L CB -0.229 41.870 42.059 0.065 0.000 0.899 282 L HN 0.255 nan 8.230 nan 0.000 0.433 283 L N -0.789 120.477 121.223 0.071 0.000 2.072 283 L HA 0.034 4.374 4.340 -0.000 0.000 0.205 283 L C 1.970 178.855 176.870 0.025 0.000 1.079 283 L CA 0.762 55.628 54.840 0.042 0.000 0.752 283 L CB -1.170 40.931 42.059 0.069 0.000 0.906 283 L HN 0.550 nan 8.230 nan 0.000 0.436 284 G N -0.217 108.605 108.800 0.036 0.000 2.660 284 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.321 284 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.321 284 G C 0.613 175.504 174.900 -0.014 0.000 1.246 284 G CA 0.412 45.538 45.100 0.044 0.000 1.000 284 G HN 1.111 nan 8.290 nan 0.000 0.550 285 G N -2.624 106.154 108.800 -0.035 0.000 2.549 285 G HA2 0.593 4.553 3.960 -0.000 0.000 0.404 285 G HA3 0.593 4.553 3.960 -0.000 0.000 0.404 285 G C 0.729 175.423 174.900 -0.344 0.000 1.292 285 G CA 0.544 45.441 45.100 -0.337 0.000 0.935 285 G HN 3.005 nan 8.290 nan 0.000 0.512 286 G N -1.962 106.560 108.800 -0.463 0.000 2.335 286 G HA2 0.795 4.755 3.960 -0.000 0.000 0.291 286 G HA3 0.795 4.755 3.960 -0.000 0.000 0.291 286 G C 0.115 174.947 174.900 -0.114 0.000 1.261 286 G CA 0.718 45.719 45.100 -0.164 0.000 0.871 286 G HN 2.183 nan 8.290 nan 0.000 0.491 287 G N -0.320 108.496 108.800 0.027 0.000 2.425 287 G HA2 0.535 4.495 3.960 -0.000 0.000 0.302 287 G HA3 0.535 4.495 3.960 -0.000 0.000 0.302 287 G C 0.324 175.276 174.900 0.085 0.000 1.159 287 G CA 0.735 45.865 45.100 0.050 0.000 0.865 287 G HN 0.803 nan 8.290 nan 0.000 0.515 297 G N 2.939 111.721 108.800 -0.030 0.000 2.151 297 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.156 297 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.156 297 G C 0.569 175.397 174.900 -0.121 0.000 1.017 297 G CA 0.210 45.319 45.100 0.015 0.000 0.686 297 G HN 0.358 nan 8.290 nan 0.000 0.503 298 M N -1.895 117.460 119.600 -0.408 0.000 2.659 298 M HA 0.364 4.844 4.480 -0.000 0.000 0.243 298 M C 1.124 177.115 176.300 -0.514 0.000 1.111 298 M CA 0.939 55.779 55.300 -0.767 0.000 1.070 298 M CB -0.251 31.857 32.600 -0.819 0.000 1.525 298 M HN 0.127 nan 8.290 nan 0.000 0.517 299 Y N 1.585 121.861 120.300 -0.040 0.000 2.658 299 Y HA 0.348 4.898 4.550 -0.000 0.000 0.276 299 Y C 0.892 176.831 175.900 0.064 0.000 1.167 299 Y CA -0.984 57.128 58.100 0.021 0.000 1.230 299 Y CB -0.167 38.298 38.460 0.008 0.000 1.144 299 Y HN 0.306 nan 8.280 nan 0.000 0.529 300 S N -1.211 114.616 115.700 0.211 0.000 2.616 300 S HA 0.358 4.828 4.470 -0.000 0.000 0.277 300 S C 1.258 175.921 174.600 0.106 0.000 1.234 300 S CA -0.886 57.410 58.200 0.160 0.000 1.028 300 S CB 1.780 65.083 63.200 0.171 0.000 0.988 300 S HN 0.357 nan 8.310 nan 0.000 0.522 301 R N 0.264 120.752 120.500 -0.019 0.000 2.096 301 R HA -0.090 4.250 4.340 -0.000 0.000 0.240 301 R C 1.902 178.115 176.300 -0.145 0.000 1.139 301 R CA 1.793 57.755 56.100 -0.230 0.000 0.952 301 R CB -0.933 29.168 30.300 -0.332 0.000 0.854 301 R HN 0.673 nan 8.270 nan 0.000 0.436 302 L N -0.701 120.485 121.223 -0.062 0.000 2.265 302 L HA -0.204 4.136 4.340 -0.000 0.000 0.215 302 L C 2.095 178.924 176.870 -0.068 0.000 1.117 302 L CA 1.112 55.913 54.840 -0.065 0.000 0.782 302 L CB -0.393 41.603 42.059 -0.105 0.000 0.914 302 L HN 0.193 nan 8.230 nan 0.000 0.441 303 Y N 0.206 120.513 120.300 0.012 0.000 2.176 303 Y HA -0.172 4.378 4.550 -0.000 0.000 0.291 303 Y C 2.849 178.775 175.900 0.045 0.000 1.122 303 Y CA 1.667 59.777 58.100 0.016 0.000 1.128 303 Y CB -0.575 37.877 38.460 -0.014 0.000 1.005 303 Y HN 0.041 nan 8.280 nan 0.000 0.509 304 T N -1.065 113.644 114.554 0.258 0.000 2.674 304 T HA -0.179 4.171 4.350 -0.000 0.000 0.265 304 T C 1.246 176.154 174.700 0.346 0.000 1.039 304 T CA 2.014 64.284 62.100 0.282 0.000 1.150 304 T CB -0.338 68.735 68.868 0.343 0.000 0.864 304 T HN 0.325 nan 8.240 nan 0.000 0.427 305 H N -0.522 118.584 119.070 0.060 0.000 2.551 305 H HA 0.368 4.924 4.556 -0.000 0.000 0.266 305 H C 1.667 177.037 175.328 0.071 0.000 0.964 305 H CA -0.071 56.004 56.048 0.046 0.000 1.180 305 H CB 0.037 29.840 29.762 0.069 0.000 1.408 305 H HN 0.218 nan 8.280 nan 0.000 0.563 306 V N -0.875 119.154 119.914 0.192 0.000 3.278 306 V HA -0.027 4.093 4.120 -0.000 0.000 0.215 306 V C 1.988 178.145 176.094 0.104 0.000 1.287 306 V CA -0.005 62.426 62.300 0.217 0.000 1.302 306 V CB -0.105 31.798 31.823 0.133 0.000 1.228 306 V HN 0.093 nan 8.190 nan 0.000 0.523 307 L N 1.427 122.666 121.223 0.026 0.000 1.989 307 L HA -0.146 4.194 4.340 -0.000 0.000 0.211 307 L C 2.200 179.091 176.870 0.035 0.000 1.071 307 L CA 2.094 56.941 54.840 0.012 0.000 0.749 307 L CB -1.739 40.312 42.059 -0.013 0.000 0.890 307 L HN 0.429 nan 8.230 nan 0.000 0.431 308 N N -0.617 118.122 118.700 0.065 0.000 2.453 308 N HA -0.138 4.602 4.740 -0.000 0.000 0.183 308 N C 1.799 177.255 175.510 -0.089 0.000 1.041 308 N CA 0.620 53.689 53.050 0.031 0.000 0.900 308 N CB 0.043 38.565 38.487 0.058 0.000 0.961 308 N HN 0.446 nan 8.380 nan 0.000 0.443 309 Q N -0.541 119.131 119.800 -0.214 0.000 2.287 309 Q HA 0.114 4.454 4.340 -0.000 0.000 0.201 309 Q C -0.097 175.425 176.000 -0.796 0.000 0.946 309 Q CA 0.795 56.291 55.803 -0.511 0.000 0.868 309 Q CB 0.112 28.411 28.738 -0.732 0.000 0.967 309 Q HN 0.390 nan 8.270 nan 0.000 0.516 310 Y N 0.086 120.077 120.300 -0.516 0.000 2.364 310 Y HA 0.215 4.765 4.550 -0.000 0.000 0.340 310 Y C 0.295 175.648 175.900 -0.911 0.000 0.975 310 Y CA -1.028 56.447 58.100 -1.042 0.000 1.089 310 Y CB 0.837 38.569 38.460 -1.213 0.000 1.192 310 Y HN 0.025 nan 8.280 nan 0.000 0.454 311 Y N -0.713 119.322 120.300 -0.443 0.000 2.442 311 Y HA 0.120 4.670 4.550 -0.000 0.000 0.250 311 Y C 1.307 177.130 175.900 -0.128 0.000 1.113 311 Y CA -0.968 57.012 58.100 -0.201 0.000 1.273 311 Y CB -0.423 37.995 38.460 -0.070 0.000 1.138 311 Y HN 0.523 nan 8.280 nan 0.000 0.522 312 F N -0.121 119.958 119.950 0.215 0.000 2.664 312 F HA 0.181 4.708 4.527 -0.000 0.000 0.297 312 F C -0.008 175.830 175.800 0.064 0.000 1.164 312 F CA -0.913 57.168 58.000 0.134 0.000 1.472 312 F CB -1.305 37.736 39.000 0.068 0.000 1.108 312 F HN -0.179 nan 8.300 nan 0.000 0.596 313 V N 2.474 122.390 119.914 0.003 0.000 2.333 313 V HA 0.162 4.282 4.120 -0.000 0.000 0.274 313 V C 0.934 177.056 176.094 0.046 0.000 1.028 313 V CA -0.334 61.986 62.300 0.034 0.000 0.851 313 V CB 1.020 32.798 31.823 -0.074 0.000 1.000 313 V HN 0.349 nan 8.190 nan 0.000 0.456 314 E N 4.348 124.592 120.200 0.073 0.000 2.447 314 E HA 0.055 4.405 4.350 -0.000 0.000 0.195 314 E C 0.449 177.084 176.600 0.059 0.000 1.028 314 E CA 0.415 56.858 56.400 0.072 0.000 0.876 314 E CB 0.318 30.067 29.700 0.082 0.000 0.885 314 E HN 0.662 nan 8.360 nan 0.000 0.500 315 N N -0.990 117.740 118.700 0.050 0.000 2.555 315 N HA 0.318 5.058 4.740 -0.000 0.000 0.265 315 N C -2.404 173.114 175.510 0.015 0.000 1.135 315 N CA -0.678 52.391 53.050 0.031 0.000 0.925 315 N CB 2.093 40.626 38.487 0.078 0.000 1.662 315 N HN 0.146 nan 8.380 nan 0.000 0.489 316 C N 3.436 122.709 119.300 -0.045 0.000 2.817 316 C HA 0.810 5.270 4.460 -0.000 0.000 0.385 316 C C -1.609 173.328 174.990 -0.089 0.000 1.050 316 C CA -0.323 58.667 59.018 -0.046 0.000 1.245 316 C CB -0.256 27.446 27.740 -0.063 0.000 1.706 316 C HN 0.636 nan 8.230 nan 0.000 0.488 317 V N 5.315 125.209 119.914 -0.032 0.000 3.147 317 V HA 0.922 5.042 4.120 -0.000 0.000 0.306 317 V C -0.264 175.798 176.094 -0.053 0.000 1.209 317 V CA 0.226 62.499 62.300 -0.046 0.000 1.023 317 V CB 2.273 34.089 31.823 -0.012 0.000 1.059 317 V HN 1.439 nan 8.190 nan 0.000 0.435 318 A N 4.744 127.497 122.820 -0.113 0.000 2.290 318 A HA 0.865 5.185 4.320 -0.000 0.000 0.310 318 A C -0.778 176.624 177.584 -0.302 0.000 1.202 318 A CA -0.302 51.565 52.037 -0.285 0.000 0.837 318 A CB 0.344 19.206 19.000 -0.231 0.000 1.139 318 A HN 1.403 nan 8.150 nan 0.000 0.509 319 F N 0.439 120.146 119.950 -0.406 0.000 2.538 319 F HA 0.692 5.219 4.527 -0.000 0.000 0.325 319 F C -0.310 175.068 175.800 -0.704 0.000 1.066 319 F CA -1.626 56.093 58.000 -0.468 0.000 0.946 319 F CB 1.741 40.518 39.000 -0.372 0.000 1.199 319 F HN 0.517 nan 8.300 nan 0.000 0.473 320 N N 1.146 119.662 118.700 -0.306 0.000 2.640 320 N HA 0.145 4.884 4.740 -0.000 0.000 0.262 320 N C -1.727 173.676 175.510 -0.178 0.000 1.174 320 N CA -0.528 52.395 53.050 -0.212 0.000 0.791 320 N CB 0.376 38.813 38.487 -0.083 0.000 1.279 320 N HN 0.703 nan 8.380 nan 0.000 0.535 321 H N 1.225 120.361 119.070 0.110 0.000 2.652 321 H HA 0.187 4.743 4.556 -0.000 0.000 0.298 321 H C -0.540 174.685 175.328 -0.172 0.000 1.076 321 H CA -0.005 56.022 56.048 -0.035 0.000 1.360 321 H CB 1.700 31.569 29.762 0.179 0.000 1.421 321 H HN 0.259 nan 8.280 nan 0.000 0.464 322 S N 4.177 119.675 115.700 -0.337 0.000 2.561 322 S HA 0.524 4.994 4.470 -0.000 0.000 0.303 322 S C -1.166 173.113 174.600 -0.535 0.000 1.110 322 S CA -0.503 57.529 58.200 -0.280 0.000 1.034 322 S CB 0.384 63.510 63.200 -0.123 0.000 1.010 322 S HN 0.419 nan 8.310 nan 0.000 0.482 323 Y N 1.148 121.507 120.300 0.097 0.000 2.805 323 Y HA 0.377 4.926 4.550 -0.000 0.000 0.321 323 Y C 2.027 177.962 175.900 0.058 0.000 1.203 323 Y CA -0.360 57.777 58.100 0.062 0.000 1.165 323 Y CB 0.305 38.783 38.460 0.030 0.000 1.371 323 Y HN 0.649 nan 8.280 nan 0.000 0.564 324 S N -0.165 115.686 115.700 0.252 0.000 2.383 324 S HA -0.190 4.280 4.470 -0.000 0.000 0.229 324 S C 0.693 175.382 174.600 0.149 0.000 1.030 324 S CA 2.024 60.326 58.200 0.170 0.000 1.002 324 S CB -0.417 62.873 63.200 0.151 0.000 0.829 324 S HN 0.819 nan 8.310 nan 0.000 0.467 325 D N -0.803 119.687 120.400 0.150 0.000 2.520 325 D HA 0.427 5.067 4.640 -0.000 0.000 0.223 325 D C 0.324 176.716 176.300 0.153 0.000 1.186 325 D CA 0.010 54.088 54.000 0.130 0.000 0.821 325 D CB 0.327 41.188 40.800 0.101 0.000 1.072 325 D HN 0.358 nan 8.370 nan 0.000 0.518 326 S N -1.832 113.991 115.700 0.205 0.000 2.683 326 S HA 0.731 5.201 4.470 -0.000 0.000 0.269 326 S C -1.319 173.483 174.600 0.336 0.000 1.165 326 S CA -0.148 58.203 58.200 0.251 0.000 0.840 326 S CB 1.224 64.629 63.200 0.341 0.000 1.169 326 S HN 0.535 nan 8.310 nan 0.000 0.490 327 G N 0.228 109.237 108.800 0.349 0.000 2.559 327 G HA2 0.611 4.571 3.960 -0.000 0.000 0.291 327 G HA3 0.611 4.571 3.960 -0.000 0.000 0.291 327 G C -2.169 172.938 174.900 0.344 0.000 1.424 327 G CA -0.570 44.755 45.100 0.374 0.000 0.786 327 G HN 0.761 nan 8.290 nan 0.000 0.485 328 I N 0.138 120.936 120.570 0.380 0.000 2.498 328 I HA 0.535 4.705 4.170 -0.000 0.000 0.290 328 I C -1.468 174.912 176.117 0.439 0.000 1.032 328 I CA -0.653 60.868 61.300 0.368 0.000 1.073 328 I CB 2.295 40.498 38.000 0.338 0.000 1.251 328 I HN 0.398 nan 8.210 nan 0.000 0.426 329 F N 4.552 124.622 119.950 0.200 0.000 2.540 329 F HA 0.878 5.405 4.527 -0.000 0.000 0.317 329 F C 0.137 175.894 175.800 -0.072 0.000 1.104 329 F CA -0.064 57.953 58.000 0.029 0.000 0.913 329 F CB 1.952 40.871 39.000 -0.135 0.000 1.170 329 F HN 0.560 nan 8.300 nan 0.000 0.450 330 G N 4.732 112.925 108.800 -1.012 0.000 2.348 330 G HA2 0.423 4.383 3.960 -0.000 0.000 0.296 330 G HA3 0.423 4.383 3.960 -0.000 0.000 0.296 330 G C -2.099 172.018 174.900 -1.305 0.000 1.258 330 G CA -0.779 43.854 45.100 -0.779 0.000 0.868 330 G HN 0.648 nan 8.290 nan 0.000 0.488 331 I N 0.568 120.783 120.570 -0.592 0.000 2.608 331 I HA 0.580 4.750 4.170 -0.000 0.000 0.295 331 I C -0.227 175.945 176.117 0.092 0.000 1.049 331 I CA -0.843 60.287 61.300 -0.283 0.000 1.063 331 I CB 2.321 40.261 38.000 -0.102 0.000 1.248 331 I HN 0.450 nan 8.210 nan 0.000 0.424 332 S N 6.305 122.118 115.700 0.188 0.000 2.472 332 S HA 0.719 5.189 4.470 -0.000 0.000 0.303 332 S C -1.211 173.471 174.600 0.138 0.000 1.099 332 S CA -0.542 57.807 58.200 0.247 0.000 1.077 332 S CB 1.134 64.508 63.200 0.290 0.000 1.031 332 S HN 0.462 nan 8.310 nan 0.000 0.487 333 L N 3.826 125.137 121.223 0.146 0.000 2.464 333 L HA 0.629 4.969 4.340 -0.000 0.000 0.266 333 L C -1.217 175.755 176.870 0.170 0.000 0.965 333 L CA -0.150 54.766 54.840 0.126 0.000 0.833 333 L CB 1.852 43.971 42.059 0.100 0.000 1.296 333 L HN 0.714 nan 8.230 nan 0.000 0.405 334 S N 3.842 119.630 115.700 0.147 0.000 2.473 334 S HA 0.829 5.299 4.470 -0.000 0.000 0.307 334 S C -0.429 174.217 174.600 0.076 0.000 1.094 334 S CA -0.512 57.754 58.200 0.111 0.000 1.070 334 S CB 1.334 64.634 63.200 0.166 0.000 1.019 334 S HN 0.847 nan 8.310 nan 0.000 0.480 335 C N 1.935 121.266 119.300 0.052 0.000 3.291 335 C HA 0.676 5.136 4.460 -0.000 0.000 0.316 335 C C -0.743 174.242 174.990 -0.009 0.000 1.391 335 C CA -1.233 57.835 59.018 0.083 0.000 1.394 335 C CB -0.155 27.683 27.740 0.162 0.000 1.744 335 C HN 0.656 nan 8.230 nan 0.000 0.461 336 I N 2.137 122.708 120.570 0.001 0.000 2.692 336 I HA 0.195 4.365 4.170 -0.000 0.000 0.284 336 I C -1.123 174.792 176.117 -0.337 0.000 1.159 336 I CA -1.967 59.262 61.300 -0.118 0.000 1.423 336 I CB 0.056 38.038 38.000 -0.029 0.000 1.380 336 I HN 0.543 nan 8.210 nan 0.000 0.580 337 P HA -0.219 nan 4.420 nan 0.000 0.218 337 P C 1.234 178.131 177.300 -0.672 0.000 1.152 337 P CA 1.493 63.889 63.100 -1.173 0.000 0.857 337 P CB 0.227 31.211 31.700 -1.194 0.000 0.787 338 Q N -0.855 118.690 119.800 -0.424 0.000 2.170 338 Q HA -0.047 4.293 4.340 -0.000 0.000 0.203 338 Q C 2.137 177.918 176.000 -0.365 0.000 0.976 338 Q CA 1.808 57.416 55.803 -0.324 0.000 0.858 338 Q CB -1.312 27.287 28.738 -0.232 0.000 0.907 338 Q HN 0.236 nan 8.270 nan 0.000 0.433 339 A N -0.038 122.534 122.820 -0.414 0.000 2.178 339 A HA 0.296 4.616 4.320 -0.000 0.000 0.211 339 A C 2.107 179.477 177.584 -0.356 0.000 1.157 339 A CA 0.800 52.511 52.037 -0.542 0.000 0.780 339 A CB -0.515 18.049 19.000 -0.725 0.000 0.828 339 A HN 0.302 nan 8.150 nan 0.000 0.476 340 A N 1.422 124.037 122.820 -0.341 0.000 1.915 340 A HA -0.174 4.146 4.320 -0.000 0.000 0.220 340 A C 0.139 177.544 177.584 -0.298 0.000 1.198 340 A CA 2.251 54.057 52.037 -0.384 0.000 0.647 340 A CB -1.809 16.823 19.000 -0.613 0.000 0.825 340 A HN 0.444 nan 8.150 nan 0.000 0.456 341 P HA -0.159 nan 4.420 nan 0.000 0.220 341 P C 1.217 178.461 177.300 -0.092 0.000 1.144 341 P CA 1.478 64.489 63.100 -0.148 0.000 0.800 341 P CB -0.051 31.561 31.700 -0.147 0.000 0.772 342 Q N -1.922 117.798 119.800 -0.134 0.000 2.384 342 Q HA 0.187 4.527 4.340 -0.000 0.000 0.207 342 Q C 2.054 178.023 176.000 -0.052 0.000 0.904 342 Q CA 0.333 56.075 55.803 -0.103 0.000 0.933 342 Q CB -0.223 28.407 28.738 -0.180 0.000 1.077 342 Q HN 0.130 nan 8.270 nan 0.000 0.522 343 A N 0.851 123.674 122.820 0.006 0.000 1.869 343 A HA -0.220 4.100 4.320 -0.000 0.000 0.218 343 A C 2.250 179.871 177.584 0.061 0.000 1.203 343 A CA 1.935 54.021 52.037 0.081 0.000 0.638 343 A CB -1.012 18.139 19.000 0.251 0.000 0.831 343 A HN 0.202 nan 8.150 nan 0.000 0.450 344 V N -0.064 119.910 119.914 0.101 0.000 2.252 344 V HA -0.331 3.789 4.120 -0.000 0.000 0.249 344 V C 2.566 178.634 176.094 -0.043 0.000 1.056 344 V CA 2.646 64.974 62.300 0.045 0.000 1.022 344 V CB -0.939 30.927 31.823 0.073 0.000 0.641 344 V HN 0.800 nan 8.190 nan 0.000 0.445 345 E N 0.146 120.319 120.200 -0.045 0.000 2.038 345 E HA -0.208 4.142 4.350 -0.000 0.000 0.195 345 E C 2.130 178.621 176.600 -0.183 0.000 1.000 345 E CA 1.931 58.261 56.400 -0.117 0.000 0.803 345 E CB -0.195 29.496 29.700 -0.014 0.000 0.750 345 E HN 0.363 nan 8.360 nan 0.000 0.448 346 V N 1.121 120.959 119.914 -0.126 0.000 2.278 346 V HA -0.325 3.795 4.120 -0.000 0.000 0.251 346 V C 2.393 178.416 176.094 -0.119 0.000 1.062 346 V CA 2.113 64.330 62.300 -0.139 0.000 1.038 346 V CB -0.517 31.178 31.823 -0.213 0.000 0.646 346 V HN 0.371 nan 8.190 nan 0.000 0.447 347 I N 0.182 120.688 120.570 -0.107 0.000 2.202 347 I HA -0.218 3.952 4.170 -0.000 0.000 0.242 347 I C 2.692 178.706 176.117 -0.171 0.000 1.091 347 I CA 1.453 62.696 61.300 -0.095 0.000 1.368 347 I CB -0.638 37.337 38.000 -0.041 0.000 1.058 347 I HN 0.295 nan 8.210 nan 0.000 0.410 348 A N 0.136 122.797 122.820 -0.265 0.000 1.940 348 A HA -0.279 4.041 4.320 -0.000 0.000 0.219 348 A C 2.249 179.509 177.584 -0.540 0.000 1.176 348 A CA 1.696 53.471 52.037 -0.436 0.000 0.631 348 A CB -0.631 17.955 19.000 -0.690 0.000 0.814 348 A HN 0.490 nan 8.150 nan 0.000 0.446 349 Q N -1.052 118.441 119.800 -0.512 0.000 2.050 349 Q HA -0.211 4.129 4.340 -0.000 0.000 0.202 349 Q C 2.341 178.330 176.000 -0.017 0.000 0.980 349 Q CA 1.489 57.161 55.803 -0.219 0.000 0.840 349 Q CB -0.225 28.474 28.738 -0.065 0.000 0.898 349 Q HN 0.620 nan 8.270 nan 0.000 0.424 350 Q N 0.121 119.896 119.800 -0.041 0.000 2.135 350 Q HA -0.152 4.188 4.340 -0.000 0.000 0.204 350 Q C 1.972 177.932 176.000 -0.066 0.000 0.981 350 Q CA 1.518 57.319 55.803 -0.003 0.000 0.856 350 Q CB -0.323 28.404 28.738 -0.018 0.000 0.902 350 Q HN 0.507 nan 8.270 nan 0.000 0.425 351 M N -1.187 118.282 119.600 -0.218 0.000 2.123 351 M HA -0.155 4.325 4.480 -0.000 0.000 0.263 351 M C 2.106 178.305 176.300 -0.168 0.000 1.069 351 M CA 1.335 56.305 55.300 -0.551 0.000 1.133 351 M CB -0.517 31.494 32.600 -0.980 0.000 1.356 351 M HN 0.120 nan 8.290 nan 0.000 0.415 352 Y N 2.023 122.220 120.300 -0.171 0.000 2.128 352 Y HA -0.246 4.304 4.550 -0.000 0.000 0.284 352 Y C 1.930 177.700 175.900 -0.216 0.000 1.154 352 Y CA 1.718 59.718 58.100 -0.167 0.000 1.149 352 Y CB -0.307 38.159 38.460 0.011 0.000 0.976 352 Y HN 0.263 nan 8.280 nan 0.000 0.505 353 N N -0.277 118.481 118.700 0.097 0.000 2.635 353 N HA -0.109 4.631 4.740 -0.000 0.000 0.191 353 N C 1.552 177.077 175.510 0.025 0.000 1.155 353 N CA 1.411 54.497 53.050 0.060 0.000 0.927 353 N CB -0.588 38.001 38.487 0.171 0.000 0.976 353 N HN 0.633 nan 8.380 nan 0.000 0.448 354 T N -2.986 111.618 114.554 0.083 0.000 3.067 354 T HA 0.052 4.402 4.350 -0.000 0.000 0.257 354 T C 1.230 176.082 174.700 0.253 0.000 1.105 354 T CA 0.290 62.508 62.100 0.196 0.000 1.104 354 T CB -0.170 68.894 68.868 0.325 0.000 0.925 354 T HN 0.297 nan 8.240 nan 0.000 0.498 355 F N -0.575 119.328 119.950 -0.079 0.000 2.637 355 F HA 0.730 5.257 4.527 -0.000 0.000 0.342 355 F C 1.620 177.304 175.800 -0.194 0.000 0.822 355 F CA -0.329 57.610 58.000 -0.102 0.000 1.046 355 F CB -0.135 38.825 39.000 -0.067 0.000 0.921 355 F HN 0.088 nan 8.300 nan 0.000 0.649 356 A N 0.482 122.429 122.820 -1.456 0.000 2.307 356 A HA 0.258 4.578 4.320 -0.000 0.000 0.218 356 A C 0.442 177.497 177.584 -0.882 0.000 1.228 356 A CA 0.242 51.507 52.037 -1.286 0.000 0.857 356 A CB -0.766 17.070 19.000 -1.941 0.000 0.897 356 A HN 0.333 nan 8.150 nan 0.000 0.495 357 N N 1.050 119.425 118.700 -0.541 0.000 2.621 357 N HA 0.093 4.833 4.740 -0.000 0.000 0.237 357 N C 0.859 176.319 175.510 -0.083 0.000 0.997 357 N CA -0.190 52.757 53.050 -0.172 0.000 0.918 357 N CB 0.848 39.338 38.487 0.005 0.000 1.122 357 N HN 0.451 nan 8.380 nan 0.000 0.510 358 K N 1.279 121.643 120.400 -0.061 0.000 2.293 358 K HA -0.134 4.186 4.320 -0.000 0.000 0.204 358 K C -0.143 176.454 176.600 -0.005 0.000 1.045 358 K CA 1.307 57.577 56.287 -0.030 0.000 0.933 358 K CB 0.276 32.764 32.500 -0.019 0.000 0.736 358 K HN 0.324 nan 8.250 nan 0.000 0.463 359 D N 0.240 120.645 120.400 0.009 0.000 2.369 359 D HA 0.120 4.760 4.640 -0.000 0.000 0.211 359 D C 0.766 177.085 176.300 0.032 0.000 1.077 359 D CA 0.326 54.338 54.000 0.020 0.000 0.842 359 D CB 0.495 41.309 40.800 0.023 0.000 0.947 359 D HN 0.210 nan 8.370 nan 0.000 0.509 360 L N 0.708 121.953 121.223 0.036 0.000 3.289 360 L HA 0.222 4.562 4.340 -0.000 0.000 0.291 360 L C 0.371 177.272 176.870 0.052 0.000 1.279 360 L CA -0.435 54.444 54.840 0.065 0.000 1.025 360 L CB 0.813 42.933 42.059 0.101 0.000 1.413 360 L HN -0.286 nan 8.230 nan 0.000 0.593 361 R N 0.773 121.289 120.500 0.028 0.000 2.873 361 R HA 0.139 4.479 4.340 -0.000 0.000 0.267 361 R C -0.290 176.035 176.300 0.042 0.000 1.009 361 R CA 0.380 56.494 56.100 0.024 0.000 1.152 361 R CB 0.242 30.551 30.300 0.015 0.000 1.047 361 R HN 0.132 nan 8.270 nan 0.000 0.470 362 L N 2.316 123.565 121.223 0.043 0.000 2.360 362 L HA 0.204 4.544 4.340 -0.000 0.000 0.276 362 L C 0.781 177.671 176.870 0.034 0.000 1.121 362 L CA -0.324 54.542 54.840 0.044 0.000 0.845 362 L CB 0.693 42.779 42.059 0.045 0.000 1.143 362 L HN 0.758 nan 8.230 nan 0.000 0.452 363 T N -1.502 113.073 114.554 0.035 0.000 2.899 363 T HA 0.155 4.505 4.350 -0.000 0.000 0.284 363 T C 1.045 175.756 174.700 0.018 0.000 1.004 363 T CA -0.831 61.285 62.100 0.026 0.000 1.043 363 T CB 1.542 70.426 68.868 0.027 0.000 1.013 363 T HN 0.538 nan 8.240 nan 0.000 0.518 364 E N 1.268 121.475 120.200 0.011 0.000 2.070 364 E HA -0.178 4.172 4.350 -0.000 0.000 0.197 364 E C 1.728 178.331 176.600 0.004 0.000 1.004 364 E CA 1.709 58.112 56.400 0.006 0.000 0.805 364 E CB -0.248 29.452 29.700 0.001 0.000 0.744 364 E HN 0.723 nan 8.360 nan 0.000 0.451 365 D N 0.672 121.073 120.400 0.002 0.000 2.092 365 D HA -0.153 4.487 4.640 -0.000 0.000 0.193 365 D C 1.922 178.224 176.300 0.003 0.000 0.994 365 D CA 0.951 54.947 54.000 -0.006 0.000 0.828 365 D CB -0.196 40.595 40.800 -0.015 0.000 0.963 365 D HN 0.336 nan 8.370 nan 0.000 0.450 366 E N 0.440 120.650 120.200 0.017 0.000 2.033 366 E HA -0.147 4.203 4.350 -0.000 0.000 0.199 366 E C 2.386 179.003 176.600 0.029 0.000 1.011 366 E CA 0.874 57.291 56.400 0.030 0.000 0.815 366 E CB -0.038 29.685 29.700 0.038 0.000 0.755 366 E HN 0.053 nan 8.360 nan 0.000 0.451 367 V N 0.864 120.792 119.914 0.024 0.000 2.407 367 V HA -0.257 3.863 4.120 -0.000 0.000 0.248 367 V C 2.443 178.548 176.094 0.017 0.000 1.055 367 V CA 1.894 64.207 62.300 0.022 0.000 1.049 367 V CB -0.435 31.398 31.823 0.017 0.000 0.662 367 V HN 0.267 nan 8.190 nan 0.000 0.455 368 S N -0.421 115.285 115.700 0.010 0.000 2.368 368 S HA -0.242 4.228 4.470 -0.000 0.000 0.225 368 S C 2.217 176.823 174.600 0.009 0.000 1.030 368 S CA 1.918 60.121 58.200 0.005 0.000 0.999 368 S CB -0.259 62.940 63.200 -0.002 0.000 0.844 368 S HN 0.579 nan 8.310 nan 0.000 0.459 369 R N 0.516 121.023 120.500 0.012 0.000 2.062 369 R HA 0.001 4.341 4.340 -0.000 0.000 0.231 369 R C 2.453 178.774 176.300 0.034 0.000 1.136 369 R CA 1.432 57.544 56.100 0.020 0.000 0.948 369 R CB -0.823 29.490 30.300 0.023 0.000 0.845 369 R HN 0.433 nan 8.270 nan 0.000 0.430 370 A N 1.268 124.113 122.820 0.041 0.000 1.917 370 A HA -0.227 4.093 4.320 -0.000 0.000 0.219 370 A C 2.041 179.651 177.584 0.042 0.000 1.182 370 A CA 1.910 53.976 52.037 0.049 0.000 0.633 370 A CB -0.439 18.592 19.000 0.051 0.000 0.819 370 A HN 0.401 nan 8.150 nan 0.000 0.448 371 K N -0.418 120.001 120.400 0.032 0.000 2.032 371 K HA -0.142 4.178 4.320 -0.000 0.000 0.209 371 K C 1.837 178.450 176.600 0.022 0.000 1.048 371 K CA 1.497 57.799 56.287 0.025 0.000 0.927 371 K CB -0.241 32.266 32.500 0.012 0.000 0.712 371 K HN 0.421 nan 8.250 nan 0.000 0.441 372 N N 1.091 119.802 118.700 0.018 0.000 2.166 372 N HA -0.155 4.585 4.740 -0.000 0.000 0.186 372 N C 1.705 177.230 175.510 0.025 0.000 1.019 372 N CA 1.192 54.252 53.050 0.016 0.000 0.856 372 N CB -0.070 38.425 38.487 0.013 0.000 0.993 372 N HN 0.332 nan 8.380 nan 0.000 0.426 373 Q N -0.026 119.794 119.800 0.035 0.000 2.224 373 Q HA -0.053 4.287 4.340 -0.000 0.000 0.203 373 Q C 1.924 177.950 176.000 0.042 0.000 0.970 373 Q CA 0.537 56.365 55.803 0.041 0.000 0.865 373 Q CB -0.030 28.739 28.738 0.052 0.000 0.922 373 Q HN 0.225 nan 8.270 nan 0.000 0.445 374 L N 1.202 122.452 121.223 0.045 0.000 2.023 374 L HA -0.137 4.203 4.340 -0.000 0.000 0.205 374 L C 1.930 178.827 176.870 0.046 0.000 1.073 374 L CA 1.808 56.679 54.840 0.052 0.000 0.745 374 L CB -0.264 41.834 42.059 0.065 0.000 0.900 374 L HN -0.067 nan 8.230 nan 0.000 0.435 375 K N -0.805 119.614 120.400 0.033 0.000 2.044 375 K HA -0.210 4.110 4.320 -0.000 0.000 0.210 375 K C 2.341 178.955 176.600 0.023 0.000 1.049 375 K CA 1.714 58.013 56.287 0.020 0.000 0.927 375 K CB -0.511 31.991 32.500 0.004 0.000 0.713 375 K HN 0.405 nan 8.250 nan 0.000 0.443 376 S N 0.888 116.602 115.700 0.024 0.000 2.353 376 S HA -0.174 4.296 4.470 -0.000 0.000 0.222 376 S C 2.147 176.763 174.600 0.027 0.000 1.035 376 S CA 2.099 60.313 58.200 0.024 0.000 1.025 376 S CB -0.300 62.916 63.200 0.026 0.000 0.902 376 S HN 0.483 nan 8.310 nan 0.000 0.440 377 S N 1.279 116.999 115.700 0.032 0.000 2.402 377 S HA 0.017 4.487 4.470 -0.000 0.000 0.229 377 S C 1.937 176.556 174.600 0.032 0.000 1.021 377 S CA 1.087 59.306 58.200 0.032 0.000 0.974 377 S CB -0.773 62.448 63.200 0.035 0.000 0.800 377 S HN 0.524 nan 8.310 nan 0.000 0.484 378 L N 0.685 121.930 121.223 0.036 0.000 1.976 378 L HA -0.026 4.314 4.340 -0.000 0.000 0.209 378 L C 2.755 179.643 176.870 0.030 0.000 1.071 378 L CA 1.395 56.258 54.840 0.037 0.000 0.746 378 L CB -0.675 41.414 42.059 0.049 0.000 0.890 378 L HN 0.306 nan 8.230 nan 0.000 0.432 379 L N -0.984 120.254 121.223 0.025 0.000 2.046 379 L HA -0.243 4.097 4.340 -0.000 0.000 0.208 379 L C 2.674 179.557 176.870 0.022 0.000 1.077 379 L CA 1.377 56.229 54.840 0.020 0.000 0.747 379 L CB -0.370 41.698 42.059 0.015 0.000 0.896 379 L HN 0.328 nan 8.230 nan 0.000 0.432 380 M N -0.974 118.640 119.600 0.023 0.000 2.229 380 M HA -0.196 4.284 4.480 -0.000 0.000 0.264 380 M C 2.008 178.324 176.300 0.027 0.000 1.063 380 M CA 1.447 56.761 55.300 0.024 0.000 1.114 380 M CB -0.508 32.106 32.600 0.024 0.000 1.387 380 M HN 0.324 nan 8.290 nan 0.000 0.420 381 N N 0.565 119.281 118.700 0.027 0.000 2.216 381 N HA -0.098 4.642 4.740 -0.000 0.000 0.183 381 N C 1.338 176.865 175.510 0.030 0.000 1.017 381 N CA 0.950 54.017 53.050 0.028 0.000 0.861 381 N CB 0.146 38.649 38.487 0.027 0.000 0.986 381 N HN 0.178 nan 8.380 nan 0.000 0.428 382 L N 2.002 123.241 121.223 0.027 0.000 2.633 382 L HA -0.008 4.332 4.340 -0.000 0.000 0.235 382 L C 1.747 178.633 176.870 0.027 0.000 1.163 382 L CA 1.044 55.899 54.840 0.025 0.000 0.859 382 L CB -0.666 41.405 42.059 0.020 0.000 0.973 382 L HN 0.125 nan 8.230 nan 0.000 0.451 383 E N -1.555 118.663 120.200 0.030 0.000 2.208 383 E HA -0.072 4.278 4.350 -0.000 0.000 0.193 383 E C 0.921 177.546 176.600 0.042 0.000 0.988 383 E CA 0.242 56.661 56.400 0.032 0.000 0.828 383 E CB 0.160 29.880 29.700 0.034 0.000 0.763 383 E HN 0.302 nan 8.360 nan 0.000 0.478 384 S N 0.359 116.088 115.700 0.050 0.000 2.528 384 S HA 0.066 4.536 4.470 -0.000 0.000 0.277 384 S C 0.833 175.475 174.600 0.070 0.000 1.297 384 S CA -0.393 57.849 58.200 0.070 0.000 1.052 384 S CB 0.910 64.151 63.200 0.067 0.000 0.917 384 S HN 0.051 nan 8.310 nan 0.000 0.492 385 K N 3.143 123.597 120.400 0.090 0.000 2.057 385 K HA -0.078 4.242 4.320 -0.000 0.000 0.207 385 K C 1.585 178.248 176.600 0.103 0.000 1.049 385 K CA 1.019 57.353 56.287 0.078 0.000 0.931 385 K CB -0.225 32.321 32.500 0.076 0.000 0.714 385 K HN 0.490 nan 8.250 nan 0.000 0.440 386 L N 0.641 121.939 121.223 0.124 0.000 2.083 386 L HA -0.157 4.183 4.340 -0.000 0.000 0.209 386 L C 2.161 179.083 176.870 0.087 0.000 1.083 386 L CA 1.397 56.302 54.840 0.109 0.000 0.752 386 L CB -0.636 41.477 42.059 0.090 0.000 0.899 386 L HN -0.037 nan 8.230 nan 0.000 0.433 387 V N -0.825 119.130 119.914 0.069 0.000 2.379 387 V HA -0.234 3.886 4.120 -0.000 0.000 0.245 387 V C 2.498 178.616 176.094 0.041 0.000 1.044 387 V CA 1.510 63.840 62.300 0.051 0.000 1.036 387 V CB -0.384 31.463 31.823 0.041 0.000 0.664 387 V HN 0.516 nan 8.190 nan 0.000 0.453 388 E N 0.048 120.273 120.200 0.043 0.000 2.110 388 E HA -0.266 4.084 4.350 -0.000 0.000 0.193 388 E C 2.187 178.804 176.600 0.029 0.000 0.988 388 E CA 1.507 57.925 56.400 0.030 0.000 0.804 388 E CB -0.101 29.620 29.700 0.035 0.000 0.745 388 E HN 0.460 nan 8.360 nan 0.000 0.458 389 L N 1.620 122.879 121.223 0.059 0.000 1.976 389 L HA -0.200 4.140 4.340 -0.000 0.000 0.209 389 L C 2.393 179.273 176.870 0.018 0.000 1.071 389 L CA 2.416 57.300 54.840 0.073 0.000 0.746 389 L CB -0.589 41.552 42.059 0.137 0.000 0.890 389 L HN 0.208 nan 8.230 nan 0.000 0.432 390 E N -0.858 119.385 120.200 0.072 0.000 2.077 390 E HA -0.315 4.035 4.350 -0.000 0.000 0.193 390 E C 1.894 178.441 176.600 -0.089 0.000 0.989 390 E CA 1.554 57.989 56.400 0.058 0.000 0.800 390 E CB -0.221 29.554 29.700 0.125 0.000 0.746 390 E HN 0.712 nan 8.360 nan 0.000 0.452 391 D N 0.058 120.428 120.400 -0.051 0.000 2.123 391 D HA -0.233 4.407 4.640 -0.000 0.000 0.196 391 D C 2.189 178.409 176.300 -0.133 0.000 0.992 391 D CA 1.780 55.738 54.000 -0.071 0.000 0.833 391 D CB -0.162 40.617 40.800 -0.035 0.000 0.954 391 D HN 0.296 nan 8.370 nan 0.000 0.455 392 M N -0.505 119.012 119.600 -0.137 0.000 2.132 392 M HA -0.008 4.472 4.480 -0.000 0.000 0.263 392 M C 2.151 178.302 176.300 -0.249 0.000 1.065 392 M CA 2.117 57.324 55.300 -0.154 0.000 1.122 392 M CB -0.382 32.185 32.600 -0.055 0.000 1.365 392 M HN 0.113 nan 8.290 nan 0.000 0.411 393 G N 0.594 109.104 108.800 -0.484 0.000 2.446 393 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.217 393 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.217 393 G C 1.568 176.114 174.900 -0.590 0.000 1.168 393 G CA 0.856 45.402 45.100 -0.922 0.000 0.771 393 G HN 0.499 nan 8.290 nan 0.000 0.551 394 R N -0.149 120.095 120.500 -0.427 0.000 2.092 394 R HA 0.007 4.347 4.340 -0.000 0.000 0.231 394 R C 2.790 178.958 176.300 -0.221 0.000 1.119 394 R CA 1.173 57.151 56.100 -0.204 0.000 0.970 394 R CB -0.316 29.926 30.300 -0.098 0.000 0.864 394 R HN 0.429 nan 8.270 nan 0.000 0.440 395 Q N 0.203 119.852 119.800 -0.252 0.000 2.084 395 Q HA -0.121 4.219 4.340 -0.000 0.000 0.202 395 Q C 2.237 177.971 176.000 -0.443 0.000 0.978 395 Q CA 1.476 57.051 55.803 -0.381 0.000 0.844 395 Q CB 0.019 28.622 28.738 -0.224 0.000 0.898 395 Q HN 0.169 nan 8.270 nan 0.000 0.426 396 V N 0.885 120.664 119.914 -0.225 0.000 2.358 396 V HA -0.244 3.876 4.120 -0.000 0.000 0.246 396 V C 2.181 178.218 176.094 -0.095 0.000 1.047 396 V CA 1.270 63.513 62.300 -0.094 0.000 1.035 396 V CB -0.458 31.380 31.823 0.025 0.000 0.658 396 V HN 0.297 nan 8.190 nan 0.000 0.452 397 L N -0.802 120.358 121.223 -0.106 0.000 2.042 397 L HA -0.198 4.142 4.340 -0.000 0.000 0.210 397 L C 2.285 179.117 176.870 -0.062 0.000 1.076 397 L CA 2.212 57.024 54.840 -0.047 0.000 0.749 397 L CB -0.480 41.572 42.059 -0.012 0.000 0.893 397 L HN 0.288 nan 8.230 nan 0.000 0.432 398 M N -1.383 118.125 119.600 -0.153 0.000 2.160 398 M HA -0.137 4.343 4.480 -0.000 0.000 0.264 398 M C 0.909 177.171 176.300 -0.064 0.000 1.073 398 M CA 1.871 57.099 55.300 -0.120 0.000 1.142 398 M CB -0.032 32.477 32.600 -0.152 0.000 1.358 398 M HN 0.588 nan 8.290 nan 0.000 0.422 399 H N -2.819 116.266 119.070 0.025 0.000 2.750 399 H HA 0.505 5.061 4.556 -0.000 0.000 0.252 399 H C 0.611 175.960 175.328 0.035 0.000 1.176 399 H CA 0.018 56.082 56.048 0.026 0.000 0.987 399 H CB -0.548 29.224 29.762 0.017 0.000 1.810 399 H HN 0.439 nan 8.280 nan 0.000 0.630 400 G N 1.817 110.647 108.800 0.050 0.000 2.341 400 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.292 400 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.292 400 G C 0.016 175.013 174.900 0.161 0.000 1.021 400 G CA 0.576 45.733 45.100 0.095 0.000 0.905 400 G HN 0.924 nan 8.290 nan 0.000 0.508 401 R N -2.247 118.351 120.500 0.163 0.000 2.709 401 R HA 0.675 5.015 4.340 -0.000 0.000 0.270 401 R C -1.233 175.054 176.300 -0.022 0.000 1.038 401 R CA -1.214 54.989 56.100 0.172 0.000 0.872 401 R CB 1.091 31.499 30.300 0.180 0.000 1.259 401 R HN 0.137 nan 8.270 nan 0.000 0.473 402 K N 2.950 123.126 120.400 -0.374 0.000 2.425 402 K HA 0.329 4.649 4.320 -0.000 0.000 0.259 402 K C -0.616 175.787 176.600 -0.328 0.000 0.978 402 K CA -0.732 55.227 56.287 -0.546 0.000 0.883 402 K CB 1.307 33.053 32.500 -1.256 0.000 1.110 402 K HN 0.691 nan 8.250 nan 0.000 0.436 403 I N 7.104 127.607 120.570 -0.113 0.000 2.668 403 I HA 0.077 4.247 4.170 -0.000 0.000 0.285 403 I C -1.893 174.173 176.117 -0.085 0.000 1.168 403 I CA -1.524 59.743 61.300 -0.054 0.000 1.424 403 I CB 0.843 38.857 38.000 0.024 0.000 1.377 403 I HN 0.587 nan 8.210 nan 0.000 0.560 404 P HA 0.029 nan 4.420 nan 0.000 0.274 404 P C 0.879 178.161 177.300 -0.030 0.000 1.231 404 P CA -0.293 62.775 63.100 -0.053 0.000 0.790 404 P CB 1.376 33.060 31.700 -0.027 0.000 0.951 405 V N 2.837 122.737 119.914 -0.025 0.000 2.282 405 V HA -0.316 3.804 4.120 -0.000 0.000 0.249 405 V C 2.388 178.464 176.094 -0.030 0.000 1.057 405 V CA 2.370 64.660 62.300 -0.017 0.000 1.032 405 V CB -1.572 30.245 31.823 -0.011 0.000 0.645 405 V HN 0.610 nan 8.190 nan 0.000 0.447 406 N N -0.271 118.412 118.700 -0.028 0.000 2.049 406 N HA -0.317 4.423 4.740 -0.000 0.000 0.198 406 N C 1.999 177.474 175.510 -0.057 0.000 1.030 406 N CA 1.831 54.859 53.050 -0.036 0.000 0.870 406 N CB -0.232 38.240 38.487 -0.025 0.000 1.045 406 N HN 0.638 nan 8.380 nan 0.000 0.434 407 E N 0.889 121.058 120.200 -0.052 0.000 2.085 407 E HA -0.226 4.124 4.350 -0.000 0.000 0.194 407 E C 2.115 178.635 176.600 -0.134 0.000 0.994 407 E CA 0.886 57.245 56.400 -0.068 0.000 0.801 407 E CB -0.010 29.669 29.700 -0.035 0.000 0.743 407 E HN 0.334 nan 8.360 nan 0.000 0.453 408 M N 0.343 119.874 119.600 -0.115 0.000 2.086 408 M HA -0.167 4.313 4.480 -0.000 0.000 0.261 408 M C 2.073 178.175 176.300 -0.330 0.000 1.067 408 M CA 1.516 56.690 55.300 -0.210 0.000 1.116 408 M CB -0.060 32.534 32.600 -0.010 0.000 1.348 408 M HN 0.168 nan 8.290 nan 0.000 0.407 409 I N -0.475 119.992 120.570 -0.172 0.000 2.142 409 I HA -0.299 3.870 4.170 -0.000 0.000 0.240 409 I C 2.385 178.401 176.117 -0.170 0.000 1.078 409 I CA 1.358 62.572 61.300 -0.143 0.000 1.343 409 I CB -0.509 37.444 38.000 -0.077 0.000 1.046 409 I HN 0.314 nan 8.210 nan 0.000 0.405 410 S N 0.711 116.320 115.700 -0.151 0.000 2.359 410 S HA -0.254 4.216 4.470 -0.000 0.000 0.223 410 S C 1.925 176.418 174.600 -0.179 0.000 1.039 410 S CA 1.587 59.707 58.200 -0.132 0.000 1.042 410 S CB -0.302 62.837 63.200 -0.102 0.000 0.915 410 S HN 0.363 nan 8.310 nan 0.000 0.439 411 K N 0.458 120.686 120.400 -0.286 0.000 2.211 411 K HA -0.000 4.320 4.320 -0.000 0.000 0.204 411 K C 1.878 178.283 176.600 -0.324 0.000 1.047 411 K CA 1.036 57.122 56.287 -0.336 0.000 0.935 411 K CB -0.257 31.909 32.500 -0.557 0.000 0.728 411 K HN 0.388 nan 8.250 nan 0.000 0.452 412 I N 0.760 121.116 120.570 -0.357 0.000 2.333 412 I HA -0.188 3.982 4.170 -0.000 0.000 0.246 412 I C 1.924 177.983 176.117 -0.095 0.000 1.106 412 I CA 1.072 62.260 61.300 -0.187 0.000 1.411 412 I CB -0.122 37.792 38.000 -0.144 0.000 1.082 412 I HN 0.161 nan 8.210 nan 0.000 0.420 413 E N 0.815 120.957 120.200 -0.098 0.000 2.153 413 E HA -0.213 4.137 4.350 -0.000 0.000 0.194 413 E C 1.030 177.601 176.600 -0.049 0.000 0.988 413 E CA 0.992 57.356 56.400 -0.060 0.000 0.811 413 E CB -0.077 29.589 29.700 -0.057 0.000 0.746 413 E HN 0.443 nan 8.360 nan 0.000 0.466 414 D N 0.438 120.802 120.400 -0.060 0.000 2.363 414 D HA 0.015 4.655 4.640 -0.000 0.000 0.226 414 D C 0.344 176.627 176.300 -0.028 0.000 1.020 414 D CA 0.372 54.347 54.000 -0.042 0.000 0.892 414 D CB 0.034 40.806 40.800 -0.046 0.000 0.900 414 D HN 0.133 nan 8.370 nan 0.000 0.531 415 L N 0.814 122.022 121.223 -0.025 0.000 2.416 415 L HA 0.150 4.490 4.340 -0.000 0.000 0.272 415 L C 0.613 177.479 176.870 -0.007 0.000 1.161 415 L CA 0.328 55.163 54.840 -0.008 0.000 0.845 415 L CB 0.575 42.636 42.059 0.004 0.000 1.119 415 L HN -0.344 nan 8.230 nan 0.000 0.464 416 K N 3.283 123.680 120.400 -0.004 0.000 2.385 416 K HA 0.355 4.675 4.320 -0.000 0.000 0.248 416 K C -1.879 174.721 176.600 -0.000 0.000 0.955 416 K CA -1.609 54.676 56.287 -0.003 0.000 0.816 416 K CB 1.807 34.304 32.500 -0.005 0.000 1.250 416 K HN 0.087 nan 8.250 nan 0.000 0.434 417 P HA -0.288 nan 4.420 nan 0.000 0.219 417 P C 0.264 177.567 177.300 0.005 0.000 1.158 417 P CA 1.520 64.624 63.100 0.007 0.000 0.895 417 P CB 0.209 31.915 31.700 0.010 0.000 0.792 418 D N -1.066 119.335 120.400 0.001 0.000 2.182 418 D HA -0.154 4.486 4.640 -0.000 0.000 0.201 418 D C 1.514 177.806 176.300 -0.012 0.000 0.986 418 D CA 1.038 55.037 54.000 -0.002 0.000 0.847 418 D CB -0.644 40.155 40.800 -0.003 0.000 0.942 418 D HN 0.257 nan 8.370 nan 0.000 0.467 419 D N 0.636 121.028 120.400 -0.013 0.000 2.097 419 D HA -0.127 4.513 4.640 -0.000 0.000 0.195 419 D C 2.227 178.502 176.300 -0.040 0.000 0.989 419 D CA 0.513 54.500 54.000 -0.023 0.000 0.827 419 D CB -0.066 40.727 40.800 -0.011 0.000 0.966 419 D HN 0.211 nan 8.370 nan 0.000 0.456 420 I N 1.220 121.772 120.570 -0.029 0.000 2.226 420 I HA -0.172 3.998 4.170 -0.000 0.000 0.245 420 I C 2.410 178.493 176.117 -0.055 0.000 1.100 420 I CA 0.879 62.153 61.300 -0.043 0.000 1.374 420 I CB -1.309 36.685 38.000 -0.011 0.000 1.057 420 I HN -0.127 nan 8.210 nan 0.000 0.413 421 S N 0.429 116.117 115.700 -0.019 0.000 2.368 421 S HA -0.155 4.314 4.470 -0.000 0.000 0.225 421 S C 2.124 176.694 174.600 -0.049 0.000 1.030 421 S CA 0.962 59.168 58.200 0.009 0.000 0.999 421 S CB -0.279 62.945 63.200 0.041 0.000 0.844 421 S HN 0.384 nan 8.310 nan 0.000 0.459 422 R N 0.955 121.414 120.500 -0.068 0.000 2.096 422 R HA -0.062 4.278 4.340 -0.000 0.000 0.235 422 R C 1.979 178.167 176.300 -0.187 0.000 1.127 422 R CA 1.264 57.303 56.100 -0.101 0.000 0.968 422 R CB -0.355 29.902 30.300 -0.070 0.000 0.861 422 R HN 0.308 nan 8.270 nan 0.000 0.440 423 V N 0.824 120.614 119.914 -0.205 0.000 2.453 423 V HA -0.126 3.994 4.120 -0.000 0.000 0.247 423 V C 2.516 178.333 176.094 -0.462 0.000 1.048 423 V CA 1.583 63.698 62.300 -0.308 0.000 1.049 423 V CB -0.586 31.066 31.823 -0.284 0.000 0.672 423 V HN 0.438 nan 8.190 nan 0.000 0.457 424 A N 0.121 122.699 122.820 -0.403 0.000 1.908 424 A HA -0.304 4.016 4.320 -0.000 0.000 0.218 424 A C 2.275 179.416 177.584 -0.739 0.000 1.181 424 A CA 2.226 53.973 52.037 -0.483 0.000 0.627 424 A CB -0.497 18.448 19.000 -0.092 0.000 0.818 424 A HN 0.654 nan 8.150 nan 0.000 0.445 425 E N -0.759 118.982 120.200 -0.765 0.000 2.047 425 E HA -0.220 4.130 4.350 -0.000 0.000 0.191 425 E C 2.051 178.243 176.600 -0.680 0.000 0.987 425 E CA 1.366 57.115 56.400 -1.085 0.000 0.799 425 E CB -0.255 29.133 29.700 -0.520 0.000 0.752 425 E HN 0.627 nan 8.360 nan 0.000 0.449 426 M N 0.513 119.824 119.600 -0.481 0.000 2.082 426 M HA -0.201 4.279 4.480 -0.000 0.000 0.258 426 M C 1.813 177.845 176.300 -0.446 0.000 1.069 426 M CA 1.589 56.662 55.300 -0.378 0.000 1.102 426 M CB -0.081 32.332 32.600 -0.312 0.000 1.336 426 M HN 0.204 nan 8.290 nan 0.000 0.404 427 I N 0.178 120.381 120.570 -0.613 0.000 2.133 427 I HA -0.240 3.930 4.170 -0.000 0.000 0.238 427 I C 2.229 177.926 176.117 -0.700 0.000 1.074 427 I CA 1.687 62.580 61.300 -0.677 0.000 1.342 427 I CB -1.803 35.600 38.000 -0.995 0.000 1.053 427 I HN 0.257 nan 8.210 nan 0.000 0.404 428 F N 1.033 120.588 119.950 -0.659 0.000 2.546 428 F HA -0.082 4.445 4.527 -0.000 0.000 0.298 428 F C 2.504 177.843 175.800 -0.769 0.000 1.120 428 F CA 0.819 58.296 58.000 -0.872 0.000 1.456 428 F CB -1.506 37.175 39.000 -0.532 0.000 1.088 428 F HN 0.030 nan 8.300 nan 0.000 0.572 429 T N -1.244 113.076 114.554 -0.390 0.000 3.081 429 T HA 0.245 4.595 4.350 -0.000 0.000 0.250 429 T C 1.600 176.208 174.700 -0.154 0.000 1.100 429 T CA 0.823 62.801 62.100 -0.202 0.000 1.038 429 T CB -0.399 68.363 68.868 -0.176 0.000 0.962 429 T HN 0.430 nan 8.240 nan 0.000 0.516 430 G N 2.373 111.040 108.800 -0.222 0.000 2.182 430 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.248 430 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.248 430 G C 0.303 175.160 174.900 -0.072 0.000 1.042 430 G CA -0.149 44.913 45.100 -0.064 0.000 0.775 430 G HN 0.448 nan 8.290 nan 0.000 0.501 431 N N -0.017 118.601 118.700 -0.136 0.000 2.546 431 N HA 0.285 5.025 4.740 -0.000 0.000 0.286 431 N C 0.248 175.686 175.510 -0.120 0.000 1.259 431 N CA 0.087 53.073 53.050 -0.107 0.000 0.939 431 N CB 0.931 39.352 38.487 -0.109 0.000 1.243 431 N HN 0.247 nan 8.380 nan 0.000 0.511 432 V N 1.343 121.178 119.914 -0.131 0.000 2.539 432 V HA 0.304 4.424 4.120 -0.000 0.000 0.292 432 V C 0.070 176.124 176.094 -0.065 0.000 1.045 432 V CA -0.614 61.606 62.300 -0.133 0.000 0.945 432 V CB 1.592 33.302 31.823 -0.189 0.000 0.993 432 V HN 0.202 nan 8.190 nan 0.000 0.464 433 N N 4.187 122.868 118.700 -0.031 0.000 2.746 433 N HA 0.346 5.086 4.740 -0.000 0.000 0.250 433 N C -0.809 174.722 175.510 0.036 0.000 1.146 433 N CA -0.401 52.654 53.050 0.009 0.000 0.828 433 N CB 0.909 39.405 38.487 0.014 0.000 1.158 433 N HN 0.573 nan 8.380 nan 0.000 0.519 434 N N 0.303 119.029 118.700 0.043 0.000 2.447 434 N HA 0.274 5.014 4.740 -0.000 0.000 0.271 434 N C 1.311 176.866 175.510 0.075 0.000 1.226 434 N CA -0.435 52.658 53.050 0.072 0.000 0.980 434 N CB 0.936 39.473 38.487 0.084 0.000 1.206 434 N HN 0.327 nan 8.380 nan 0.000 0.558 435 A N 0.407 123.275 122.820 0.080 0.000 1.986 435 A HA -0.119 4.201 4.320 -0.000 0.000 0.220 435 A C 1.763 179.393 177.584 0.077 0.000 1.171 435 A CA 2.167 54.247 52.037 0.072 0.000 0.640 435 A CB -1.113 17.930 19.000 0.072 0.000 0.811 435 A HN 0.708 nan 8.150 nan 0.000 0.451 436 G N -1.278 107.581 108.800 0.097 0.000 2.920 436 G HA2 0.120 4.080 3.960 -0.000 0.000 0.208 436 G HA3 0.120 4.080 3.960 -0.000 0.000 0.208 436 G C 0.538 175.501 174.900 0.105 0.000 1.159 436 G CA 0.612 45.776 45.100 0.107 0.000 0.784 436 G HN 0.753 nan 8.290 nan 0.000 0.535 437 N N -0.284 118.471 118.700 0.090 0.000 2.642 437 N HA -0.099 4.641 4.740 -0.000 0.000 0.269 437 N C 0.648 176.218 175.510 0.101 0.000 1.073 437 N CA 0.737 53.835 53.050 0.079 0.000 0.748 437 N CB -1.164 37.361 38.487 0.064 0.000 0.894 437 N HN 0.414 nan 8.380 nan 0.000 0.548 438 G N 1.531 110.407 108.800 0.127 0.000 2.539 438 G HA2 0.364 4.324 3.960 -0.000 0.000 0.258 438 G HA3 0.364 4.324 3.960 -0.000 0.000 0.258 438 G C 0.177 175.181 174.900 0.173 0.000 1.202 438 G CA -0.598 44.618 45.100 0.194 0.000 0.851 438 G HN 0.378 nan 8.290 nan 0.000 0.556 439 K N 0.041 120.572 120.400 0.219 0.000 2.149 439 K HA 0.211 4.531 4.320 -0.000 0.000 0.245 439 K C 1.156 177.889 176.600 0.222 0.000 1.024 439 K CA -0.025 56.366 56.287 0.173 0.000 0.899 439 K CB 0.701 33.280 32.500 0.130 0.000 1.038 439 K HN 0.477 nan 8.250 nan 0.000 0.496 440 G N 0.517 109.420 108.800 0.172 0.000 3.523 440 G HA2 -0.004 3.956 3.960 -0.000 0.000 0.270 440 G HA3 -0.004 3.956 3.960 -0.000 0.000 0.270 440 G C 0.402 175.474 174.900 0.287 0.000 1.134 440 G CA -0.206 45.006 45.100 0.187 0.000 0.825 440 G HN 0.374 nan 8.290 nan 0.000 0.534 441 R N 0.702 121.373 120.500 0.284 0.000 2.441 441 R HA 0.568 4.908 4.340 -0.000 0.000 0.284 441 R C 0.493 176.928 176.300 0.225 0.000 1.070 441 R CA -0.317 55.917 56.100 0.223 0.000 1.047 441 R CB 0.658 31.019 30.300 0.101 0.000 1.016 441 R HN 0.093 nan 8.270 nan 0.000 0.477 442 A N 2.616 125.465 122.820 0.050 0.000 2.346 442 A HA 0.271 4.590 4.320 -0.000 0.000 0.252 442 A C -0.471 176.977 177.584 -0.226 0.000 1.089 442 A CA -0.076 51.728 52.037 -0.388 0.000 0.797 442 A CB 0.671 19.321 19.000 -0.584 0.000 1.047 442 A HN 0.740 nan 8.150 nan 0.000 0.494 443 T N 0.979 115.373 114.554 -0.267 0.000 2.786 443 T HA 0.531 4.881 4.350 -0.000 0.000 0.283 443 T C -0.828 173.779 174.700 -0.154 0.000 0.992 443 T CA -0.234 61.760 62.100 -0.177 0.000 0.954 443 T CB 0.936 69.729 68.868 -0.126 0.000 0.934 443 T HN 0.462 nan 8.240 nan 0.000 0.440 444 V N 4.086 123.919 119.914 -0.136 0.000 2.483 444 V HA 0.644 4.764 4.120 -0.000 0.000 0.297 444 V C -0.529 175.487 176.094 -0.131 0.000 1.027 444 V CA -0.719 61.508 62.300 -0.122 0.000 0.855 444 V CB 1.945 33.696 31.823 -0.120 0.000 0.995 444 V HN 0.650 nan 8.190 nan 0.000 0.424 445 V N 6.955 126.791 119.914 -0.130 0.000 2.709 445 V HA 0.766 4.886 4.120 -0.000 0.000 0.308 445 V C -0.494 175.489 176.094 -0.185 0.000 1.062 445 V CA -0.384 61.835 62.300 -0.135 0.000 0.901 445 V CB 2.016 33.782 31.823 -0.095 0.000 1.003 445 V HN 0.942 nan 8.190 nan 0.000 0.425 446 M N 4.102 123.570 119.600 -0.220 0.000 2.578 446 M HA 0.641 5.121 4.480 -0.000 0.000 0.276 446 M C -1.633 174.576 176.300 -0.151 0.000 1.245 446 M CA -0.811 54.315 55.300 -0.291 0.000 0.871 446 M CB 2.340 34.449 32.600 -0.820 0.000 1.722 446 M HN 0.573 nan 8.290 nan 0.000 0.473 447 Q N 0.910 120.684 119.800 -0.043 0.000 2.325 447 Q HA 0.735 5.075 4.340 -0.000 0.000 0.270 447 Q C -0.743 175.171 176.000 -0.143 0.000 1.020 447 Q CA 0.120 55.920 55.803 -0.004 0.000 0.785 447 Q CB 2.037 30.851 28.738 0.127 0.000 1.259 447 Q HN 1.163 nan 8.270 nan 0.000 0.452 448 G N 2.729 111.308 108.800 -0.368 0.000 2.350 448 G HA2 -0.044 3.916 3.960 -0.000 0.000 0.282 448 G HA3 -0.044 3.916 3.960 -0.000 0.000 0.282 448 G C -1.811 172.767 174.900 -0.537 0.000 1.314 448 G CA -0.662 43.736 45.100 -1.170 0.000 0.915 448 G HN 0.676 nan 8.290 nan 0.000 0.499 449 D N -0.521 119.599 120.400 -0.466 0.000 2.343 449 D HA 0.482 5.122 4.640 -0.000 0.000 0.255 449 D C 1.538 177.892 176.300 0.090 0.000 1.187 449 D CA -0.363 53.609 54.000 -0.046 0.000 0.875 449 D CB 1.428 42.279 40.800 0.084 0.000 1.136 449 D HN 0.573 nan 8.370 nan 0.000 0.469 450 R N 3.457 124.019 120.500 0.104 0.000 2.096 450 R HA -0.111 4.229 4.340 -0.000 0.000 0.240 450 R C 2.091 178.513 176.300 0.203 0.000 1.139 450 R CA 2.282 58.491 56.100 0.182 0.000 0.952 450 R CB -1.066 29.280 30.300 0.077 0.000 0.854 450 R HN 0.625 nan 8.270 nan 0.000 0.436 451 G N -0.778 108.086 108.800 0.107 0.000 2.513 451 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.219 451 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.219 451 G C 1.464 176.399 174.900 0.058 0.000 1.160 451 G CA 1.216 46.361 45.100 0.074 0.000 0.767 451 G HN 0.448 nan 8.290 nan 0.000 0.571 452 S N 0.366 116.074 115.700 0.013 0.000 2.462 452 S HA -0.075 4.394 4.470 -0.000 0.000 0.243 452 S C 1.618 176.055 174.600 -0.273 0.000 1.003 452 S CA 0.965 59.081 58.200 -0.140 0.000 0.970 452 S CB -0.309 62.797 63.200 -0.157 0.000 0.762 452 S HN 0.404 nan 8.310 nan 0.000 0.510 453 F N 0.943 120.927 119.950 0.057 0.000 2.746 453 F HA 0.340 4.867 4.527 -0.000 0.000 0.297 453 F C 1.770 177.582 175.800 0.020 0.000 1.113 453 F CA 0.266 58.290 58.000 0.039 0.000 1.367 453 F CB -0.409 38.612 39.000 0.034 0.000 1.111 453 F HN 0.304 nan 8.300 nan 0.000 0.590 454 G N 0.318 109.209 108.800 0.152 0.000 2.598 454 G HA2 -0.292 3.667 3.960 -0.000 0.000 0.244 454 G HA3 -0.292 3.667 3.960 -0.000 0.000 0.244 454 G C -0.540 174.418 174.900 0.097 0.000 1.302 454 G CA -0.241 44.915 45.100 0.094 0.000 0.903 454 G HN 0.180 nan 8.290 nan 0.000 0.575 455 D N 0.779 121.221 120.400 0.070 0.000 2.470 455 D HA 0.347 4.987 4.640 -0.000 0.000 0.226 455 D C 1.957 178.299 176.300 0.069 0.000 1.196 455 D CA 0.390 54.426 54.000 0.061 0.000 0.979 455 D CB 0.534 41.364 40.800 0.049 0.000 1.059 455 D HN 0.297 nan 8.370 nan 0.000 0.515 456 V N 3.446 123.402 119.914 0.070 0.000 2.287 456 V HA -0.241 3.879 4.120 -0.000 0.000 0.248 456 V C 2.401 178.531 176.094 0.061 0.000 1.053 456 V CA 1.893 64.230 62.300 0.063 0.000 1.027 456 V CB -0.451 31.391 31.823 0.032 0.000 0.646 456 V HN 0.566 nan 8.190 nan 0.000 0.447 457 E N 0.358 120.589 120.200 0.053 0.000 2.110 457 E HA -0.283 4.067 4.350 -0.000 0.000 0.193 457 E C 2.035 178.684 176.600 0.081 0.000 0.988 457 E CA 1.591 58.029 56.400 0.063 0.000 0.804 457 E CB -0.159 29.570 29.700 0.049 0.000 0.745 457 E HN 0.663 nan 8.360 nan 0.000 0.458 458 N N -0.509 118.234 118.700 0.072 0.000 2.188 458 N HA -0.127 4.613 4.740 -0.000 0.000 0.184 458 N C 1.624 177.194 175.510 0.101 0.000 1.018 458 N CA 1.225 54.320 53.050 0.074 0.000 0.858 458 N CB 0.115 38.636 38.487 0.056 0.000 0.989 458 N HN 0.013 nan 8.380 nan 0.000 0.426 459 V N 0.735 120.717 119.914 0.114 0.000 2.358 459 V HA -0.168 3.952 4.120 -0.000 0.000 0.246 459 V C 2.240 178.478 176.094 0.240 0.000 1.047 459 V CA 1.242 63.643 62.300 0.169 0.000 1.035 459 V CB -0.539 31.362 31.823 0.130 0.000 0.658 459 V HN 0.342 nan 8.190 nan 0.000 0.452 460 L N -0.564 120.768 121.223 0.181 0.000 2.056 460 L HA -0.169 4.171 4.340 -0.000 0.000 0.207 460 L C 2.596 179.612 176.870 0.244 0.000 1.078 460 L CA 1.659 56.631 54.840 0.219 0.000 0.749 460 L CB -0.582 41.602 42.059 0.208 0.000 0.901 460 L HN 0.260 nan 8.230 nan 0.000 0.433 461 K N 0.150 120.660 120.400 0.182 0.000 2.057 461 K HA -0.112 4.208 4.320 -0.000 0.000 0.207 461 K C 2.183 178.860 176.600 0.128 0.000 1.049 461 K CA 1.246 57.622 56.287 0.149 0.000 0.931 461 K CB -0.276 32.287 32.500 0.106 0.000 0.714 461 K HN 0.258 nan 8.250 nan 0.000 0.440 462 A N 0.309 123.199 122.820 0.116 0.000 2.076 462 A HA -0.170 4.150 4.320 -0.000 0.000 0.220 462 A C 1.179 178.706 177.584 -0.094 0.000 1.160 462 A CA 1.308 53.350 52.037 0.009 0.000 0.653 462 A CB -0.454 18.547 19.000 0.001 0.000 0.801 462 A HN 0.336 nan 8.150 nan 0.000 0.455 463 Y N -1.133 119.176 120.300 0.015 0.000 2.555 463 Y HA 0.377 4.927 4.550 -0.000 0.000 0.259 463 Y C 1.672 177.666 175.900 0.156 0.000 1.179 463 Y CA -0.012 58.091 58.100 0.004 0.000 1.230 463 Y CB 0.126 38.581 38.460 -0.009 0.000 1.146 463 Y HN 0.403 nan 8.280 nan 0.000 0.526 464 G N 0.921 109.862 108.800 0.235 0.000 2.179 464 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.257 464 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.257 464 G C -0.042 175.011 174.900 0.255 0.000 1.010 464 G CA 0.128 45.362 45.100 0.223 0.000 0.736 464 G HN 0.282 nan 8.290 nan 0.000 0.513 465 L N -0.009 121.376 121.223 0.270 0.000 2.334 465 L HA 0.644 4.984 4.340 -0.000 0.000 0.277 465 L C 1.284 178.288 176.870 0.223 0.000 1.075 465 L CA 0.230 55.201 54.840 0.217 0.000 0.804 465 L CB 1.217 43.441 42.059 0.276 0.000 1.174 465 L HN 1.058 nan 8.230 nan 0.000 0.438 466 G N 2.347 111.207 108.800 0.100 0.000 2.796 466 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.571 466 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.571 466 G C -1.189 173.806 174.900 0.158 0.000 1.370 466 G CA -0.535 44.737 45.100 0.286 0.000 0.856 466 G HN 0.858 nan 8.290 nan 0.000 0.538 467 N N -0.516 118.283 118.700 0.166 0.000 2.235 467 N HA 0.608 5.348 4.740 -0.000 0.000 0.293 467 N C 0.032 175.604 175.510 0.103 0.000 1.083 467 N CA 0.535 53.650 53.050 0.108 0.000 0.801 467 N CB 1.882 40.414 38.487 0.076 0.000 1.559 467 N HN 1.696 nan 8.380 nan 0.000 0.472 468 S N 0.000 115.748 115.700 0.080 0.000 2.498 468 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 468 S CA 0.000 58.240 58.200 0.067 0.000 1.107 468 S CB 0.000 63.238 63.200 0.063 0.000 0.593 468 S HN 0.000 nan 8.310 nan 0.000 0.517