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 1pn0_1_B DATA FIRST_RESID 1 DATA SEQUENCE TKYSESYCDV LIVGAGPAGL MAARVLSEYV RQKPDLKVRI IDKRSTKVYN DATA SEQUENCE GQADGLQCRT LESLKNLGLA DKILSEANDM STIALYNPDE NGHIRRTDRI DATA SEQUENCE PDTLPGISRY HQVVLHQGRI ERRILDSIAE ISDTRIKVER PLIPEKMEID DATA SEQUENCE SSKAEDPEAY PVTMTLRYMS EDESTPLQFG HKTENGLFRS NLQTQEEEDA DATA SEQUENCE NYRLPEGKEA GEIETVHCKY VIGCDGGHSW VRRTLGFEMI GEQTDYIWGV DATA SEQUENCE LDAVPASNFP DIRSRCAIHS AESGSIMIIP RENNLVRFYV QLQAXXXXXX DATA SEQUENCE XXXXTKFTPE VVIANAKKIF HPYTFDVQQL DWFTAYHIGQ RVTEKFSKDE DATA SEQUENCE RVFIAGDACH THSPKAGQGM NTSMMDTYNL GWKLGLVLTG RAKRDILKTY DATA SEQUENCE EEERQPFAQA LIDFDHQFSR LFSGRPAKDV ADEMGVSMDV FKEAFVKGNE DATA SEQUENCE FASGTAINYD ENLVTDKKSS KQELAKNCVV GTRFKSQPVV RHSEGLWMHF DATA SEQUENCE GDRLVTDGRF RIIVFAGKAT DATQMSRIKK FAAYLDSENS VISRYTPKGA DATA SEQUENCE DRNSRIDVIT IHSCHRDDIE MHDFPAPALH PKWQYDFIYA DCDSWHHPHP DATA SEQUENCE KSYQAWGVDE TKGAVVVVRP DGYTSLVTDL EGTAEIDRYF SGILVEPKEK DATA SEQUENCE SGAQTEADWT KS 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 1 T HA 0.000 nan 4.350 nan 0.000 0.228 1 T C 0.000 174.511 174.700 -0.316 0.000 1.109 1 T CA 0.000 61.964 62.100 -0.226 0.000 1.349 1 T CB 0.000 68.663 68.868 -0.341 0.000 0.612 2 K N 2.454 122.658 120.400 -0.326 0.000 2.201 2 K HA 0.556 4.876 4.320 -0.000 0.000 0.278 2 K C -1.302 175.062 176.600 -0.392 0.000 1.027 2 K CA -0.494 55.650 56.287 -0.239 0.000 0.909 2 K CB 0.588 32.999 32.500 -0.149 0.000 1.062 2 K HN 0.569 nan 8.250 nan 0.000 0.465 3 Y N 1.198 121.489 120.300 -0.015 0.000 2.409 3 Y HA 0.297 4.846 4.550 -0.000 0.000 0.339 3 Y C 0.329 176.219 175.900 -0.016 0.000 1.033 3 Y CA -0.346 57.748 58.100 -0.010 0.000 1.094 3 Y CB 2.167 40.623 38.460 -0.007 0.000 1.210 3 Y HN 0.713 nan 8.280 nan 0.000 0.456 4 S N 0.980 116.761 115.700 0.135 0.000 2.651 4 S HA 0.779 5.249 4.470 -0.000 0.000 0.279 4 S C -1.344 173.291 174.600 0.057 0.000 1.148 4 S CA -1.013 57.230 58.200 0.072 0.000 0.837 4 S CB 2.788 66.001 63.200 0.021 0.000 1.138 4 S HN 0.699 nan 8.310 nan 0.000 0.478 5 E N -0.122 120.098 120.200 0.032 0.000 2.343 5 E HA 0.631 4.981 4.350 -0.000 0.000 0.278 5 E C -1.333 175.267 176.600 -0.000 0.000 0.910 5 E CA -0.516 55.876 56.400 -0.015 0.000 0.757 5 E CB 1.942 31.655 29.700 0.021 0.000 1.218 5 E HN 0.997 nan 8.360 nan 0.000 0.435 6 S N 1.955 117.606 115.700 -0.082 0.000 2.672 6 S HA 0.594 5.064 4.470 -0.000 0.000 0.271 6 S C -1.645 172.852 174.600 -0.171 0.000 1.171 6 S CA -0.768 57.433 58.200 0.001 0.000 0.817 6 S CB 0.836 64.062 63.200 0.043 0.000 1.150 6 S HN 0.412 nan 8.310 nan 0.000 0.478 7 Y N -0.190 120.106 120.300 -0.007 0.000 2.512 7 Y HA 0.763 5.313 4.550 -0.000 0.000 0.348 7 Y C 0.325 176.264 175.900 0.064 0.000 0.990 7 Y CA -0.600 57.460 58.100 -0.066 0.000 1.033 7 Y CB 2.085 40.360 38.460 -0.308 0.000 1.259 7 Y HN 1.244 nan 8.280 nan 0.000 0.461 8 C N -0.037 119.456 119.300 0.322 0.000 3.239 8 C HA 0.499 4.959 4.460 -0.000 0.000 0.317 8 C C 0.279 175.492 174.990 0.372 0.000 1.310 8 C CA -0.685 58.513 59.018 0.299 0.000 1.371 8 C CB 1.706 29.552 27.740 0.178 0.000 1.714 8 C HN 0.895 nan 8.230 nan 0.000 0.473 9 D N 0.585 121.150 120.400 0.274 0.000 2.149 9 D HA 0.106 4.746 4.640 -0.000 0.000 0.206 9 D C 0.393 176.840 176.300 0.246 0.000 0.967 9 D CA 1.600 55.743 54.000 0.238 0.000 0.848 9 D CB 0.376 41.282 40.800 0.177 0.000 0.998 9 D HN 0.507 nan 8.370 nan 0.000 0.474 10 V N 1.503 121.529 119.914 0.187 0.000 2.638 10 V HA 0.302 4.421 4.120 -0.000 0.000 0.306 10 V C -0.862 175.307 176.094 0.126 0.000 1.052 10 V CA -0.950 61.453 62.300 0.171 0.000 0.885 10 V CB 2.690 34.574 31.823 0.102 0.000 0.999 10 V HN -0.046 nan 8.190 nan 0.000 0.424 11 L N 6.155 127.451 121.223 0.122 0.000 2.305 11 L HA 0.673 5.013 4.340 -0.000 0.000 0.284 11 L C -0.660 176.252 176.870 0.070 0.000 1.013 11 L CA 0.115 55.002 54.840 0.079 0.000 0.819 11 L CB 1.150 43.247 42.059 0.063 0.000 1.227 11 L HN 0.575 nan 8.230 nan 0.000 0.417 12 I N 5.918 126.516 120.570 0.045 0.000 2.304 12 I HA 0.289 4.459 4.170 -0.000 0.000 0.291 12 I C -0.487 175.643 176.117 0.022 0.000 1.018 12 I CA -0.684 60.637 61.300 0.036 0.000 1.260 12 I CB 1.522 39.535 38.000 0.022 0.000 1.390 12 I HN 0.272 nan 8.210 nan 0.000 0.475 13 V N 6.314 126.248 119.914 0.033 0.000 2.334 13 V HA 0.724 4.844 4.120 -0.000 0.000 0.267 13 V C 0.532 176.637 176.094 0.018 0.000 1.040 13 V CA -0.311 61.999 62.300 0.017 0.000 0.866 13 V CB 0.222 32.072 31.823 0.044 0.000 1.019 13 V HN 1.062 nan 8.190 nan 0.000 0.468 14 G N 4.077 112.877 108.800 -0.001 0.000 3.055 14 G HA2 0.356 4.316 3.960 -0.000 0.000 0.685 14 G HA3 0.356 4.316 3.960 -0.000 0.000 0.685 14 G C -0.335 174.566 174.900 0.002 0.000 1.212 14 G CA -0.293 44.809 45.100 0.004 0.000 0.822 14 G HN 1.425 nan 8.290 nan 0.000 0.610 15 A N 1.370 124.189 122.820 -0.002 0.000 2.985 15 A HA 0.816 5.136 4.320 -0.000 0.000 0.303 15 A C 1.171 178.751 177.584 -0.007 0.000 1.048 15 A CA 1.049 53.082 52.037 -0.006 0.000 1.016 15 A CB -0.101 18.891 19.000 -0.014 0.000 1.118 15 A HN 2.127 nan 8.150 nan 0.000 0.529 16 G N 0.000 108.801 108.800 0.001 0.000 2.510 16 G HA2 0.462 4.422 3.960 -0.000 0.000 0.280 16 G HA3 0.462 4.422 3.960 -0.000 0.000 0.280 16 G C -1.332 173.570 174.900 0.003 0.000 1.386 16 G CA -1.166 43.934 45.100 0.000 0.000 1.047 16 G HN 0.098 nan 8.290 nan 0.000 0.527 17 P HA -0.155 nan 4.420 nan 0.000 0.215 17 P C 2.134 179.452 177.300 0.030 0.000 1.157 17 P CA 2.487 65.596 63.100 0.014 0.000 0.874 17 P CB 0.050 31.762 31.700 0.020 0.000 0.790 18 A N -0.324 122.521 122.820 0.041 0.000 1.865 18 A HA -0.114 4.206 4.320 -0.000 0.000 0.217 18 A C 2.533 180.138 177.584 0.035 0.000 1.191 18 A CA 2.254 54.322 52.037 0.052 0.000 0.623 18 A CB -1.913 17.118 19.000 0.051 0.000 0.826 18 A HN 0.285 nan 8.150 nan 0.000 0.444 19 G N -0.373 108.441 108.800 0.023 0.000 2.418 19 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.217 19 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.217 19 G C 1.574 176.482 174.900 0.015 0.000 1.158 19 G CA 1.020 46.130 45.100 0.016 0.000 0.771 19 G HN 0.423 nan 8.290 nan 0.000 0.545 20 L N -0.498 120.733 121.223 0.013 0.000 2.046 20 L HA -0.049 4.291 4.340 -0.000 0.000 0.208 20 L C 2.809 179.693 176.870 0.024 0.000 1.077 20 L CA 1.350 56.196 54.840 0.011 0.000 0.747 20 L CB -0.337 41.721 42.059 -0.002 0.000 0.896 20 L HN 0.279 nan 8.230 nan 0.000 0.432 21 M N 0.283 119.904 119.600 0.036 0.000 2.117 21 M HA -0.142 4.338 4.480 -0.000 0.000 0.262 21 M C 2.284 178.624 176.300 0.068 0.000 1.065 21 M CA 2.060 57.398 55.300 0.064 0.000 1.114 21 M CB -0.505 32.146 32.600 0.084 0.000 1.361 21 M HN 0.161 nan 8.290 nan 0.000 0.408 22 A N -0.135 122.709 122.820 0.040 0.000 1.883 22 A HA -0.000 4.320 4.320 -0.000 0.000 0.217 22 A C 2.402 180.000 177.584 0.023 0.000 1.186 22 A CA 2.310 54.355 52.037 0.012 0.000 0.624 22 A CB -1.517 17.472 19.000 -0.019 0.000 0.822 22 A HN 0.673 nan 8.150 nan 0.000 0.444 23 A N -0.351 122.485 122.820 0.026 0.000 1.930 23 A HA -0.113 4.207 4.320 -0.000 0.000 0.217 23 A C 2.168 179.779 177.584 0.044 0.000 1.175 23 A CA 2.100 54.156 52.037 0.032 0.000 0.627 23 A CB -0.429 18.585 19.000 0.022 0.000 0.815 23 A HN 0.487 nan 8.150 nan 0.000 0.443 24 R N 0.088 120.616 120.500 0.046 0.000 2.073 24 R HA -0.079 4.261 4.340 -0.000 0.000 0.234 24 R C 1.781 178.124 176.300 0.073 0.000 1.134 24 R CA 2.282 58.412 56.100 0.050 0.000 0.952 24 R CB -1.254 29.077 30.300 0.050 0.000 0.850 24 R HN 0.231 nan 8.270 nan 0.000 0.433 25 V N 0.813 120.787 119.914 0.100 0.000 2.307 25 V HA -0.189 3.931 4.120 -0.000 0.000 0.245 25 V C 2.344 178.565 176.094 0.213 0.000 1.045 25 V CA 1.903 64.288 62.300 0.142 0.000 1.024 25 V CB -0.443 31.463 31.823 0.138 0.000 0.651 25 V HN 0.300 nan 8.190 nan 0.000 0.449 26 L N -0.304 121.017 121.223 0.163 0.000 2.275 26 L HA -0.124 4.216 4.340 -0.000 0.000 0.215 26 L C 2.570 179.562 176.870 0.203 0.000 1.119 26 L CA 1.053 56.023 54.840 0.216 0.000 0.790 26 L CB -0.560 41.543 42.059 0.073 0.000 0.919 26 L HN 0.292 nan 8.230 nan 0.000 0.443 27 S N -0.170 115.595 115.700 0.107 0.000 2.387 27 S HA -0.257 4.213 4.470 -0.000 0.000 0.230 27 S C 1.875 176.488 174.600 0.020 0.000 1.035 27 S CA 1.663 59.898 58.200 0.058 0.000 1.014 27 S CB -0.153 63.065 63.200 0.030 0.000 0.836 27 S HN 0.417 nan 8.310 nan 0.000 0.466 28 E N 0.371 120.545 120.200 -0.044 0.000 2.110 28 E HA -0.132 4.218 4.350 -0.000 0.000 0.193 28 E C 1.520 177.970 176.600 -0.250 0.000 0.988 28 E CA 1.400 57.673 56.400 -0.212 0.000 0.804 28 E CB -0.275 29.166 29.700 -0.433 0.000 0.745 28 E HN 0.699 nan 8.360 nan 0.000 0.458 29 Y N -1.005 119.299 120.300 0.007 0.000 2.314 29 Y HA -0.059 4.491 4.550 -0.000 0.000 0.293 29 Y C 2.250 178.158 175.900 0.014 0.000 1.129 29 Y CA 0.779 58.885 58.100 0.010 0.000 1.201 29 Y CB -0.261 38.201 38.460 0.003 0.000 0.999 29 Y HN -0.061 nan 8.280 nan 0.000 0.541 30 V N 0.339 120.341 119.914 0.147 0.000 2.427 30 V HA -0.282 3.838 4.120 -0.000 0.000 0.248 30 V C 2.463 178.588 176.094 0.052 0.000 1.051 30 V CA 2.014 64.369 62.300 0.092 0.000 1.048 30 V CB -0.542 31.328 31.823 0.077 0.000 0.666 30 V HN 0.319 nan 8.190 nan 0.000 0.456 31 R N -0.117 120.397 120.500 0.023 0.000 2.096 31 R HA -0.199 4.140 4.340 -0.000 0.000 0.235 31 R C 2.292 178.595 176.300 0.005 0.000 1.127 31 R CA 1.706 57.809 56.100 0.004 0.000 0.968 31 R CB -0.123 30.166 30.300 -0.019 0.000 0.861 31 R HN 0.598 nan 8.270 nan 0.000 0.440 32 Q N -0.469 119.333 119.800 0.004 0.000 2.172 32 Q HA 0.009 4.349 4.340 -0.000 0.000 0.200 32 Q C 0.069 176.093 176.000 0.039 0.000 0.964 32 Q CA 0.894 56.705 55.803 0.014 0.000 0.855 32 Q CB 0.482 29.227 28.738 0.010 0.000 0.918 32 Q HN -0.054 nan 8.270 nan 0.000 0.444 33 K N 0.202 120.637 120.400 0.058 0.000 2.752 33 K HA 0.211 4.531 4.320 -0.000 0.000 0.199 33 K C -2.403 174.232 176.600 0.059 0.000 1.069 33 K CA -1.541 54.782 56.287 0.060 0.000 1.033 33 K CB 1.603 34.149 32.500 0.076 0.000 1.229 33 K HN -0.124 nan 8.250 nan 0.000 0.572 34 P HA -0.088 nan 4.420 nan 0.000 0.228 34 P C 0.471 177.800 177.300 0.049 0.000 1.151 34 P CA 0.806 63.932 63.100 0.044 0.000 0.770 34 P CB 0.442 32.162 31.700 0.033 0.000 0.786 35 D N -0.634 119.796 120.400 0.051 0.000 2.264 35 D HA -0.041 4.599 4.640 -0.000 0.000 0.208 35 D C 0.874 177.216 176.300 0.071 0.000 0.966 35 D CA 0.493 54.526 54.000 0.055 0.000 0.864 35 D CB -0.451 40.380 40.800 0.052 0.000 0.933 35 D HN 0.214 nan 8.370 nan 0.000 0.499 36 L N 0.696 121.964 121.223 0.075 0.000 2.490 36 L HA 0.007 4.347 4.340 -0.000 0.000 0.274 36 L C 0.636 177.561 176.870 0.092 0.000 1.201 36 L CA 0.054 54.947 54.840 0.088 0.000 0.869 36 L CB 0.355 42.466 42.059 0.088 0.000 1.123 36 L HN -0.239 nan 8.230 nan 0.000 0.484 37 K N 3.016 123.482 120.400 0.111 0.000 2.449 37 K HA 0.452 4.772 4.320 -0.000 0.000 0.257 37 K C -1.369 175.297 176.600 0.110 0.000 0.989 37 K CA -0.381 55.972 56.287 0.110 0.000 0.916 37 K CB 1.288 33.867 32.500 0.132 0.000 1.136 37 K HN 0.240 nan 8.250 nan 0.000 0.439 38 V N 5.604 125.569 119.914 0.086 0.000 2.409 38 V HA 0.556 4.676 4.120 -0.000 0.000 0.291 38 V C -0.118 176.013 176.094 0.062 0.000 1.020 38 V CA -0.799 61.546 62.300 0.075 0.000 0.848 38 V CB 1.507 33.367 31.823 0.063 0.000 0.990 38 V HN 0.668 nan 8.190 nan 0.000 0.430 39 R N 3.819 124.354 120.500 0.059 0.000 2.711 39 R HA 0.758 5.098 4.340 -0.000 0.000 0.284 39 R C -1.096 175.220 176.300 0.027 0.000 0.968 39 R CA -0.766 55.359 56.100 0.040 0.000 0.924 39 R CB 2.782 33.105 30.300 0.040 0.000 1.162 39 R HN 0.708 nan 8.270 nan 0.000 0.465 40 I N 4.044 124.621 120.570 0.011 0.000 2.534 40 I HA 0.456 4.626 4.170 -0.000 0.000 0.288 40 I C -1.080 175.026 176.117 -0.019 0.000 1.077 40 I CA -0.862 60.438 61.300 0.001 0.000 1.051 40 I CB 1.341 39.344 38.000 0.005 0.000 1.234 40 I HN 0.681 nan 8.210 nan 0.000 0.425 41 I N 4.112 124.662 120.570 -0.034 0.000 2.957 41 I HA 0.702 4.872 4.170 -0.000 0.000 0.310 41 I C -1.546 174.537 176.117 -0.056 0.000 1.063 41 I CA -0.520 60.741 61.300 -0.064 0.000 1.033 41 I CB 2.228 40.161 38.000 -0.111 0.000 1.230 41 I HN 0.481 nan 8.210 nan 0.000 0.447 42 D N 2.097 122.458 120.400 -0.065 0.000 2.859 42 D HA 0.185 4.825 4.640 -0.000 0.000 0.223 42 D C -0.433 175.836 176.300 -0.052 0.000 1.218 42 D CA -0.495 53.477 54.000 -0.045 0.000 0.850 42 D CB 2.672 43.459 40.800 -0.022 0.000 1.656 42 D HN 0.875 nan 8.370 nan 0.000 0.484 43 K N 1.753 122.127 120.400 -0.043 0.000 2.426 43 K HA 0.136 4.456 4.320 -0.000 0.000 0.193 43 K C 0.825 177.427 176.600 0.004 0.000 1.028 43 K CA -0.055 56.207 56.287 -0.041 0.000 1.047 43 K CB 0.925 33.390 32.500 -0.058 0.000 0.821 43 K HN 0.052 nan 8.250 nan 0.000 0.513 44 R N 0.809 121.322 120.500 0.022 0.000 2.428 44 R HA 0.168 4.507 4.340 -0.000 0.000 0.294 44 R C 0.162 176.505 176.300 0.072 0.000 1.000 44 R CA -0.110 56.023 56.100 0.054 0.000 0.960 44 R CB 1.281 31.617 30.300 0.060 0.000 1.076 44 R HN 0.034 nan 8.270 nan 0.000 0.475 45 S N 0.893 116.661 115.700 0.114 0.000 2.399 45 S HA -0.101 4.369 4.470 -0.000 0.000 0.231 45 S C 0.809 175.481 174.600 0.120 0.000 1.022 45 S CA 1.704 59.997 58.200 0.156 0.000 0.983 45 S CB -0.044 63.301 63.200 0.240 0.000 0.803 45 S HN 0.855 nan 8.310 nan 0.000 0.480 46 T N -0.301 114.330 114.554 0.128 0.000 2.864 46 T HA 0.529 4.879 4.350 -0.000 0.000 0.289 46 T C -0.676 174.068 174.700 0.072 0.000 1.082 46 T CA -1.226 60.956 62.100 0.137 0.000 1.009 46 T CB 1.686 70.727 68.868 0.289 0.000 1.234 46 T HN 0.256 nan 8.240 nan 0.000 0.526 47 K N 0.542 120.928 120.400 -0.023 0.000 2.149 47 K HA 0.527 4.846 4.320 -0.000 0.000 0.245 47 K C -0.251 176.216 176.600 -0.222 0.000 1.024 47 K CA -0.917 55.276 56.287 -0.158 0.000 0.899 47 K CB 0.147 32.480 32.500 -0.278 0.000 1.038 47 K HN 0.351 nan 8.250 nan 0.000 0.496 48 V N 1.618 121.417 119.914 -0.192 0.000 2.715 48 V HA -0.030 4.090 4.120 -0.000 0.000 0.299 48 V C 0.060 175.975 176.094 -0.298 0.000 1.054 48 V CA 0.098 62.328 62.300 -0.116 0.000 1.077 48 V CB 0.213 31.999 31.823 -0.061 0.000 0.972 48 V HN 0.755 nan 8.190 nan 0.000 0.484 49 Y N 1.208 121.559 120.300 0.085 0.000 2.430 49 Y HA 0.366 4.916 4.550 -0.000 0.000 0.254 49 Y C 0.897 176.778 175.900 -0.032 0.000 1.088 49 Y CA -0.323 57.842 58.100 0.108 0.000 1.267 49 Y CB 0.690 39.243 38.460 0.155 0.000 1.204 49 Y HN 0.574 nan 8.280 nan 0.000 0.515 50 N N -0.975 117.686 118.700 -0.065 0.000 2.484 50 N HA 0.411 5.151 4.740 -0.000 0.000 0.269 50 N C 0.080 175.173 175.510 -0.694 0.000 1.237 50 N CA 0.383 53.141 53.050 -0.485 0.000 0.838 50 N CB 2.407 40.787 38.487 -0.178 0.000 1.593 50 N HN 0.304 nan 8.380 nan 0.000 0.485 51 G N 1.023 109.273 108.800 -0.917 0.000 2.566 51 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.280 51 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.280 51 G C -0.043 174.123 174.900 -1.224 0.000 1.225 51 G CA 1.046 45.242 45.100 -1.506 0.000 0.966 51 G HN 0.798 nan 8.290 nan 0.000 0.560 52 Q N -2.432 116.291 119.800 -1.794 0.000 1.409 52 Q HA -0.165 4.175 4.340 -0.000 0.000 0.359 52 Q C 1.145 176.947 176.000 -0.331 0.000 0.955 52 Q CA 1.561 56.984 55.803 -0.634 0.000 0.718 52 Q CB -1.637 26.936 28.738 -0.276 0.000 4.264 52 Q HN 2.548 nan 8.270 nan 0.000 0.586 53 A N 1.547 124.282 122.820 -0.142 0.000 2.483 53 A HA 0.252 4.572 4.320 -0.000 0.000 0.238 53 A C 0.429 177.984 177.584 -0.048 0.000 1.070 53 A CA 0.809 52.817 52.037 -0.048 0.000 0.770 53 A CB -0.003 18.990 19.000 -0.011 0.000 1.008 53 A HN 0.683 nan 8.150 nan 0.000 0.497 54 D N 0.270 120.674 120.400 0.008 0.000 2.480 54 D HA 0.148 4.788 4.640 -0.000 0.000 0.276 54 D C 0.380 176.701 176.300 0.035 0.000 1.294 54 D CA 0.571 54.580 54.000 0.014 0.000 0.829 54 D CB -0.583 40.232 40.800 0.025 0.000 1.242 54 D HN 0.659 nan 8.370 nan 0.000 0.513 55 G N 0.832 109.663 108.800 0.052 0.000 2.335 55 G HA2 0.594 4.554 3.960 -0.000 0.000 0.316 55 G HA3 0.594 4.554 3.960 -0.000 0.000 0.316 55 G C -0.802 174.117 174.900 0.031 0.000 1.129 55 G CA -0.621 44.513 45.100 0.057 0.000 0.899 55 G HN 0.144 nan 8.290 nan 0.000 0.448 56 L N 2.610 123.842 121.223 0.015 0.000 2.343 56 L HA 0.378 4.718 4.340 -0.000 0.000 0.278 56 L C 0.023 176.889 176.870 -0.007 0.000 0.996 56 L CA -0.848 53.983 54.840 -0.015 0.000 0.831 56 L CB 1.929 43.957 42.059 -0.051 0.000 1.232 56 L HN 0.362 nan 8.230 nan 0.000 0.413 57 Q N 0.518 120.310 119.800 -0.013 0.000 2.185 57 Q HA 0.223 4.563 4.340 -0.000 0.000 0.225 57 Q C 0.933 176.914 176.000 -0.031 0.000 0.983 57 Q CA -0.421 55.378 55.803 -0.007 0.000 0.950 57 Q CB 1.860 30.593 28.738 -0.009 0.000 1.176 57 Q HN 0.808 nan 8.270 nan 0.000 0.510 58 C N 0.373 119.668 119.300 -0.008 0.000 2.388 58 C HA -0.193 4.267 4.460 -0.000 0.000 0.277 58 C C 2.512 177.482 174.990 -0.034 0.000 1.210 58 C CA 1.119 60.146 59.018 0.015 0.000 1.743 58 C CB -0.805 26.947 27.740 0.020 0.000 2.047 58 C HN 0.812 nan 8.230 nan 0.000 0.458 59 R N 1.228 121.684 120.500 -0.075 0.000 2.092 59 R HA -0.087 4.253 4.340 -0.000 0.000 0.231 59 R C 2.016 178.223 176.300 -0.156 0.000 1.119 59 R CA 2.212 58.248 56.100 -0.108 0.000 0.970 59 R CB -1.220 29.006 30.300 -0.122 0.000 0.864 59 R HN 0.550 nan 8.270 nan 0.000 0.440 60 T N 1.118 115.579 114.554 -0.154 0.000 2.720 60 T HA -0.108 4.241 4.350 -0.000 0.000 0.268 60 T C 1.712 176.263 174.700 -0.250 0.000 1.037 60 T CA 1.643 63.626 62.100 -0.195 0.000 1.144 60 T CB -0.200 68.589 68.868 -0.132 0.000 0.864 60 T HN 0.156 nan 8.240 nan 0.000 0.444 61 L N 0.586 121.655 121.223 -0.256 0.000 2.046 61 L HA -0.096 4.244 4.340 -0.000 0.000 0.208 61 L C 2.733 179.272 176.870 -0.551 0.000 1.077 61 L CA 1.398 55.967 54.840 -0.452 0.000 0.747 61 L CB -0.574 41.158 42.059 -0.545 0.000 0.896 61 L HN 0.316 nan 8.230 nan 0.000 0.432 62 E N -0.296 119.734 120.200 -0.284 0.000 2.085 62 E HA -0.199 4.151 4.350 -0.000 0.000 0.194 62 E C 2.293 178.796 176.600 -0.162 0.000 0.994 62 E CA 1.622 57.964 56.400 -0.097 0.000 0.801 62 E CB -0.068 29.631 29.700 -0.002 0.000 0.743 62 E HN 0.394 nan 8.360 nan 0.000 0.453 63 S N 0.799 116.339 115.700 -0.266 0.000 2.387 63 S HA -0.045 4.425 4.470 -0.000 0.000 0.226 63 S C 2.029 176.454 174.600 -0.291 0.000 1.026 63 S CA 0.574 58.538 58.200 -0.392 0.000 0.972 63 S CB -0.096 62.558 63.200 -0.909 0.000 0.814 63 S HN 0.161 nan 8.310 nan 0.000 0.477 64 L N 1.241 122.292 121.223 -0.287 0.000 2.083 64 L HA -0.111 4.229 4.340 -0.000 0.000 0.209 64 L C 2.494 179.266 176.870 -0.162 0.000 1.083 64 L CA 1.082 55.799 54.840 -0.205 0.000 0.752 64 L CB -0.384 41.543 42.059 -0.220 0.000 0.899 64 L HN 0.205 nan 8.230 nan 0.000 0.433 65 K N 1.079 121.357 120.400 -0.203 0.000 2.057 65 K HA -0.176 4.144 4.320 -0.000 0.000 0.207 65 K C 1.526 178.094 176.600 -0.053 0.000 1.049 65 K CA 1.799 58.017 56.287 -0.115 0.000 0.931 65 K CB -0.409 32.062 32.500 -0.048 0.000 0.714 65 K HN 0.338 nan 8.250 nan 0.000 0.440 66 N N -0.282 118.392 118.700 -0.043 0.000 2.519 66 N HA -0.050 4.689 4.740 -0.000 0.000 0.186 66 N C 0.719 176.236 175.510 0.012 0.000 1.062 66 N CA 0.600 53.645 53.050 -0.009 0.000 0.910 66 N CB 0.029 38.535 38.487 0.032 0.000 0.958 66 N HN 0.160 nan 8.380 nan 0.000 0.445 67 L N -0.936 120.292 121.223 0.008 0.000 2.693 67 L HA 0.282 4.622 4.340 -0.000 0.000 0.235 67 L C 1.046 177.910 176.870 -0.011 0.000 1.127 67 L CA -0.205 54.647 54.840 0.020 0.000 0.914 67 L CB 0.412 42.499 42.059 0.047 0.000 1.193 67 L HN 0.133 nan 8.230 nan 0.000 0.502 68 G N 0.544 109.329 108.800 -0.025 0.000 2.147 68 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.244 68 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.244 68 G C 0.544 175.425 174.900 -0.032 0.000 1.005 68 G CA 0.398 45.483 45.100 -0.025 0.000 0.713 68 G HN 0.340 nan 8.290 nan 0.000 0.515 69 L N -0.929 120.263 121.223 -0.051 0.000 2.672 69 L HA 0.424 4.764 4.340 -0.000 0.000 0.236 69 L C 2.816 179.633 176.870 -0.088 0.000 1.092 69 L CA 0.916 55.719 54.840 -0.061 0.000 0.887 69 L CB -0.151 41.870 42.059 -0.064 0.000 1.168 69 L HN 0.289 nan 8.230 nan 0.000 0.502 70 A N 0.458 123.206 122.820 -0.120 0.000 1.877 70 A HA -0.205 4.115 4.320 -0.000 0.000 0.216 70 A C 1.801 179.326 177.584 -0.097 0.000 1.186 70 A CA 1.952 53.883 52.037 -0.177 0.000 0.620 70 A CB -0.381 18.425 19.000 -0.323 0.000 0.822 70 A HN 0.294 nan 8.150 nan 0.000 0.443 71 D N -0.152 120.223 120.400 -0.040 0.000 2.117 71 D HA -0.123 4.517 4.640 -0.000 0.000 0.197 71 D C 1.915 178.209 176.300 -0.010 0.000 0.987 71 D CA 1.447 55.446 54.000 -0.001 0.000 0.829 71 D CB -0.278 40.535 40.800 0.022 0.000 0.961 71 D HN 0.503 nan 8.370 nan 0.000 0.460 72 K N 0.148 120.536 120.400 -0.020 0.000 2.057 72 K HA -0.026 4.294 4.320 -0.000 0.000 0.207 72 K C 2.288 178.871 176.600 -0.028 0.000 1.049 72 K CA 0.586 56.863 56.287 -0.017 0.000 0.931 72 K CB -0.008 32.481 32.500 -0.018 0.000 0.714 72 K HN 0.144 nan 8.250 nan 0.000 0.440 73 I N 1.030 121.571 120.570 -0.049 0.000 2.202 73 I HA -0.274 3.896 4.170 -0.000 0.000 0.242 73 I C 2.008 178.098 176.117 -0.045 0.000 1.091 73 I CA 1.194 62.457 61.300 -0.060 0.000 1.368 73 I CB -0.180 37.769 38.000 -0.086 0.000 1.058 73 I HN 0.111 nan 8.210 nan 0.000 0.410 74 L N 0.445 121.645 121.223 -0.038 0.000 2.265 74 L HA -0.170 4.169 4.340 -0.000 0.000 0.215 74 L C 2.646 179.518 176.870 0.003 0.000 1.117 74 L CA 1.288 56.121 54.840 -0.012 0.000 0.782 74 L CB -0.637 41.427 42.059 0.010 0.000 0.914 74 L HN 0.372 nan 8.230 nan 0.000 0.441 75 S N -0.992 114.709 115.700 0.001 0.000 2.474 75 S HA -0.142 4.328 4.470 -0.000 0.000 0.235 75 S C 1.514 176.120 174.600 0.009 0.000 0.997 75 S CA 1.078 59.284 58.200 0.010 0.000 0.949 75 S CB -0.037 63.170 63.200 0.012 0.000 0.766 75 S HN 0.571 nan 8.310 nan 0.000 0.517 76 E N 0.312 120.512 120.200 -0.001 0.000 2.421 76 E HA 0.432 4.782 4.350 -0.000 0.000 0.209 76 E C 0.764 177.363 176.600 -0.002 0.000 0.871 76 E CA 0.207 56.607 56.400 -0.001 0.000 1.064 76 E CB 0.614 30.304 29.700 -0.017 0.000 1.075 76 E HN 0.578 nan 8.360 nan 0.000 0.513 77 A N 1.611 124.427 122.820 -0.008 0.000 2.346 77 A HA 0.282 4.601 4.320 -0.000 0.000 0.252 77 A C -0.103 177.493 177.584 0.020 0.000 1.089 77 A CA -0.138 51.897 52.037 -0.003 0.000 0.797 77 A CB 0.255 19.247 19.000 -0.012 0.000 1.047 77 A HN 0.107 nan 8.150 nan 0.000 0.494 78 N N -0.023 118.696 118.700 0.030 0.000 2.392 78 N HA 0.345 5.085 4.740 -0.000 0.000 0.283 78 N C -1.573 173.973 175.510 0.060 0.000 1.003 78 N CA -0.423 52.655 53.050 0.046 0.000 0.892 78 N CB 1.357 39.873 38.487 0.048 0.000 1.193 78 N HN 0.538 nan 8.380 nan 0.000 0.487 79 D N 3.869 124.312 120.400 0.073 0.000 2.380 79 D HA 0.138 4.777 4.640 -0.000 0.000 0.230 79 D C 0.933 177.287 176.300 0.089 0.000 1.154 79 D CA -0.074 53.986 54.000 0.100 0.000 0.859 79 D CB 0.573 41.455 40.800 0.137 0.000 1.045 79 D HN 0.594 nan 8.370 nan 0.000 0.495 80 M N 1.735 121.385 119.600 0.084 0.000 2.358 80 M HA -0.164 4.316 4.480 -0.000 0.000 0.264 80 M C 1.441 177.780 176.300 0.064 0.000 1.064 80 M CA 0.505 55.852 55.300 0.078 0.000 1.093 80 M CB -0.209 32.444 32.600 0.089 0.000 1.401 80 M HN 0.418 nan 8.290 nan 0.000 0.440 81 S N -1.566 114.166 115.700 0.053 0.000 1.706 81 S HA -0.187 4.283 4.470 -0.000 0.000 0.229 81 S C 0.675 175.268 174.600 -0.012 0.000 0.861 81 S CA 2.059 60.271 58.200 0.020 0.000 1.488 81 S CB -1.112 62.112 63.200 0.040 0.000 1.943 81 S HN 0.616 nan 8.310 nan 0.000 0.533 82 T N 1.605 116.165 114.554 0.010 0.000 2.893 82 T HA 0.734 5.084 4.350 -0.000 0.000 0.291 82 T C -0.501 174.200 174.700 0.002 0.000 1.028 82 T CA -0.458 61.638 62.100 -0.007 0.000 0.995 82 T CB 1.684 70.559 68.868 0.013 0.000 1.051 82 T HN 0.299 nan 8.240 nan 0.000 0.470 83 I N 2.413 122.951 120.570 -0.053 0.000 2.354 83 I HA 0.542 4.712 4.170 -0.000 0.000 0.286 83 I C 0.273 176.383 176.117 -0.012 0.000 1.007 83 I CA -0.798 60.462 61.300 -0.065 0.000 1.167 83 I CB 1.188 38.992 38.000 -0.326 0.000 1.320 83 I HN 0.660 nan 8.210 nan 0.000 0.458 84 A N 7.974 130.868 122.820 0.123 0.000 2.301 84 A HA 0.752 5.072 4.320 -0.000 0.000 0.298 84 A C -0.520 177.241 177.584 0.295 0.000 1.185 84 A CA -0.426 51.724 52.037 0.189 0.000 0.830 84 A CB 0.479 19.669 19.000 0.316 0.000 1.112 84 A HN 0.709 nan 8.150 nan 0.000 0.508 85 L N 2.740 124.085 121.223 0.204 0.000 2.287 85 L HA 0.442 4.782 4.340 -0.000 0.000 0.287 85 L C -1.245 175.773 176.870 0.247 0.000 1.022 85 L CA -0.386 54.624 54.840 0.282 0.000 0.814 85 L CB 0.767 42.943 42.059 0.195 0.000 1.217 85 L HN 0.688 nan 8.230 nan 0.000 0.420 86 Y N 2.502 122.947 120.300 0.241 0.000 2.393 86 Y HA 0.462 5.012 4.550 -0.000 0.000 0.341 86 Y C -0.012 176.010 175.900 0.203 0.000 0.988 86 Y CA -0.781 57.456 58.100 0.228 0.000 1.078 86 Y CB 2.088 40.729 38.460 0.303 0.000 1.203 86 Y HN 0.699 nan 8.280 nan 0.000 0.453 87 N N 1.160 120.033 118.700 0.288 0.000 2.927 87 N HA 0.589 5.329 4.740 -0.000 0.000 0.248 87 N C -3.458 172.163 175.510 0.184 0.000 1.443 87 N CA -2.226 50.949 53.050 0.208 0.000 0.870 87 N CB 2.045 40.599 38.487 0.112 0.000 1.444 87 N HN 0.035 nan 8.380 nan 0.000 0.519 88 P HA 0.216 nan 4.420 nan 0.000 0.278 88 P C -0.955 176.411 177.300 0.109 0.000 1.238 88 P CA -0.060 63.128 63.100 0.147 0.000 0.794 88 P CB 0.532 32.305 31.700 0.120 0.000 0.955 89 D N 0.832 121.303 120.400 0.118 0.000 2.507 89 D HA 0.025 4.665 4.640 -0.000 0.000 0.280 89 D C 1.218 177.547 176.300 0.047 0.000 1.219 89 D CA -0.372 53.671 54.000 0.071 0.000 1.085 89 D CB -0.081 40.759 40.800 0.066 0.000 1.134 89 D HN 0.371 nan 8.370 nan 0.000 0.583 90 E N -0.048 120.164 120.200 0.020 0.000 2.265 90 E HA -0.227 4.123 4.350 -0.000 0.000 0.196 90 E C 0.402 176.997 176.600 -0.008 0.000 0.996 90 E CA 1.059 57.463 56.400 0.006 0.000 0.832 90 E CB -0.862 28.836 29.700 -0.003 0.000 0.756 90 E HN 0.578 nan 8.360 nan 0.000 0.491 91 N N 0.236 118.915 118.700 -0.036 0.000 2.280 91 N HA 0.184 4.924 4.740 -0.000 0.000 0.192 91 N C 0.715 176.218 175.510 -0.011 0.000 1.109 91 N CA 0.384 53.381 53.050 -0.090 0.000 0.855 91 N CB 0.884 39.218 38.487 -0.255 0.000 0.974 91 N HN 0.356 nan 8.380 nan 0.000 0.482 92 G N 0.787 109.630 108.800 0.071 0.000 2.143 92 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.248 92 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.248 92 G C -0.429 174.658 174.900 0.311 0.000 0.991 92 G CA -0.133 45.061 45.100 0.158 0.000 0.689 92 G HN 0.549 nan 8.290 nan 0.000 0.522 93 H N 0.026 119.167 119.070 0.119 0.000 2.527 93 H HA 0.462 5.018 4.556 -0.000 0.000 0.321 93 H C 1.396 176.832 175.328 0.181 0.000 1.087 93 H CA -0.458 55.669 56.048 0.130 0.000 1.337 93 H CB 1.077 30.880 29.762 0.067 0.000 1.440 93 H HN 0.505 nan 8.280 nan 0.000 0.490 94 I N 2.160 122.934 120.570 0.340 0.000 2.634 94 I HA 0.241 4.411 4.170 -0.000 0.000 0.284 94 I C 0.051 176.482 176.117 0.522 0.000 1.124 94 I CA -0.429 61.119 61.300 0.413 0.000 1.417 94 I CB 0.525 38.791 38.000 0.444 0.000 1.396 94 I HN 0.507 nan 8.210 nan 0.000 0.571 95 R N 4.751 125.499 120.500 0.413 0.000 2.739 95 R HA 0.465 4.805 4.340 -0.000 0.000 0.271 95 R C -1.367 174.807 176.300 -0.210 0.000 1.010 95 R CA -1.049 55.182 56.100 0.219 0.000 0.897 95 R CB 1.059 31.443 30.300 0.140 0.000 1.236 95 R HN 0.884 nan 8.270 nan 0.000 0.466 96 R N 0.985 121.080 120.500 -0.675 0.000 2.296 96 R HA 0.136 4.476 4.340 -0.000 0.000 0.323 96 R C 0.296 176.400 176.300 -0.326 0.000 1.067 96 R CA 0.643 56.200 56.100 -0.904 0.000 0.946 96 R CB 0.461 30.228 30.300 -0.889 0.000 0.991 96 R HN 0.896 nan 8.270 nan 0.000 0.448 97 T N -0.474 113.964 114.554 -0.193 0.000 3.014 97 T HA 0.172 4.522 4.350 -0.000 0.000 0.250 97 T C 0.303 174.968 174.700 -0.058 0.000 1.060 97 T CA -0.064 61.989 62.100 -0.079 0.000 1.040 97 T CB 0.396 69.254 68.868 -0.018 0.000 0.971 97 T HN 0.443 nan 8.240 nan 0.000 0.497 98 D N -0.160 120.201 120.400 -0.064 0.000 2.671 98 D HA 0.456 5.096 4.640 -0.000 0.000 0.273 98 D C -1.472 174.804 176.300 -0.041 0.000 1.264 98 D CA -0.641 53.334 54.000 -0.042 0.000 0.788 98 D CB 2.213 43.002 40.800 -0.018 0.000 1.324 98 D HN 0.091 nan 8.370 nan 0.000 0.424 99 R N 0.537 121.012 120.500 -0.041 0.000 2.621 99 R HA 0.704 5.044 4.340 -0.000 0.000 0.284 99 R C -0.561 175.700 176.300 -0.065 0.000 0.998 99 R CA -0.774 55.300 56.100 -0.042 0.000 0.895 99 R CB 2.235 32.517 30.300 -0.030 0.000 1.195 99 R HN 0.457 nan 8.270 nan 0.000 0.450 100 I N -1.135 119.374 120.570 -0.101 0.000 2.934 100 I HA 0.687 4.857 4.170 -0.000 0.000 0.306 100 I C -2.631 173.410 176.117 -0.128 0.000 1.110 100 I CA -3.070 58.156 61.300 -0.122 0.000 1.019 100 I CB 2.611 40.507 38.000 -0.174 0.000 1.227 100 I HN 0.355 nan 8.210 nan 0.000 0.434 101 P HA 0.107 nan 4.420 nan 0.000 0.275 101 P C -0.417 176.810 177.300 -0.123 0.000 1.227 101 P CA 0.242 63.276 63.100 -0.111 0.000 0.781 101 P CB 1.315 32.949 31.700 -0.110 0.000 0.906 102 D N 1.571 121.910 120.400 -0.102 0.000 2.183 102 D HA -0.060 4.580 4.640 -0.000 0.000 0.203 102 D C -0.131 176.135 176.300 -0.057 0.000 0.969 102 D CA 1.330 55.291 54.000 -0.066 0.000 0.842 102 D CB 0.214 41.004 40.800 -0.017 0.000 0.957 102 D HN 0.258 nan 8.370 nan 0.000 0.484 103 T N 0.354 114.838 114.554 -0.117 0.000 2.824 103 T HA 0.389 4.739 4.350 -0.000 0.000 0.282 103 T C -0.335 174.282 174.700 -0.138 0.000 0.993 103 T CA -0.704 61.323 62.100 -0.122 0.000 0.967 103 T CB 1.589 70.340 68.868 -0.195 0.000 0.960 103 T HN -0.021 nan 8.240 nan 0.000 0.441 104 L N 4.850 126.018 121.223 -0.091 0.000 2.462 104 L HA 0.233 4.573 4.340 -0.000 0.000 0.272 104 L C -1.959 174.859 176.870 -0.087 0.000 1.166 104 L CA -1.733 53.057 54.840 -0.083 0.000 0.880 104 L CB -0.089 41.932 42.059 -0.063 0.000 1.142 104 L HN 0.332 nan 8.230 nan 0.000 0.473 105 P HA 0.006 nan 4.420 nan 0.000 0.262 105 P C 0.806 178.077 177.300 -0.048 0.000 1.182 105 P CA 0.749 63.809 63.100 -0.066 0.000 0.761 105 P CB 0.729 32.397 31.700 -0.054 0.000 0.795 106 G N 2.990 111.770 108.800 -0.034 0.000 2.179 106 G HA2 -0.340 3.619 3.960 -0.000 0.000 0.260 106 G HA3 -0.340 3.619 3.960 -0.000 0.000 0.260 106 G C 0.863 175.731 174.900 -0.053 0.000 0.977 106 G CA 0.233 45.310 45.100 -0.039 0.000 0.641 106 G HN 0.567 nan 8.290 nan 0.000 0.533 107 I N 0.042 120.584 120.570 -0.048 0.000 2.761 107 I HA 0.342 4.512 4.170 -0.000 0.000 0.261 107 I C 1.064 177.147 176.117 -0.056 0.000 1.198 107 I CA 1.613 62.880 61.300 -0.055 0.000 1.482 107 I CB 0.172 38.141 38.000 -0.052 0.000 1.100 107 I HN 0.354 nan 8.210 nan 0.000 0.445 108 S N -1.146 114.531 115.700 -0.039 0.000 2.595 108 S HA 0.263 4.733 4.470 -0.000 0.000 0.270 108 S C 0.566 175.118 174.600 -0.080 0.000 1.145 108 S CA -0.851 57.320 58.200 -0.049 0.000 0.825 108 S CB 1.000 64.205 63.200 0.009 0.000 1.107 108 S HN 0.328 nan 8.310 nan 0.000 0.461 109 R N 0.683 121.051 120.500 -0.221 0.000 2.276 109 R HA 0.120 4.460 4.340 -0.000 0.000 0.203 109 R C -0.492 175.497 176.300 -0.519 0.000 1.017 109 R CA 0.554 56.397 56.100 -0.429 0.000 1.010 109 R CB -0.342 29.486 30.300 -0.787 0.000 0.900 109 R HN 0.508 nan 8.270 nan 0.000 0.469 110 Y N 0.971 121.201 120.300 -0.116 0.000 2.387 110 Y HA 0.365 4.914 4.550 -0.000 0.000 0.330 110 Y C 0.200 176.141 175.900 0.068 0.000 1.133 110 Y CA -0.843 57.197 58.100 -0.101 0.000 1.152 110 Y CB 1.213 39.617 38.460 -0.094 0.000 1.215 110 Y HN -0.036 nan 8.280 nan 0.000 0.466 111 H N 0.193 119.334 119.070 0.119 0.000 2.567 111 H HA 0.225 4.781 4.556 -0.000 0.000 0.345 111 H C -0.591 174.774 175.328 0.062 0.000 1.169 111 H CA -1.292 54.792 56.048 0.060 0.000 1.227 111 H CB 1.409 31.196 29.762 0.042 0.000 1.607 111 H HN 0.557 nan 8.280 nan 0.000 0.534 112 Q N 1.984 121.885 119.800 0.168 0.000 2.304 112 Q HA 0.143 4.483 4.340 -0.000 0.000 0.301 112 Q C -0.743 175.321 176.000 0.107 0.000 1.063 112 Q CA -0.175 55.690 55.803 0.103 0.000 0.947 112 Q CB 0.475 29.262 28.738 0.081 0.000 1.201 112 Q HN 0.453 nan 8.270 nan 0.000 0.389 113 V N 0.960 120.915 119.914 0.068 0.000 3.160 113 V HA 0.864 4.984 4.120 -0.000 0.000 0.310 113 V C -0.715 175.404 176.094 0.042 0.000 1.181 113 V CA -0.680 61.654 62.300 0.058 0.000 1.047 113 V CB 1.796 33.642 31.823 0.038 0.000 1.068 113 V HN 0.675 nan 8.190 nan 0.000 0.441 114 V N 0.335 120.273 119.914 0.040 0.000 2.735 114 V HA 0.989 5.109 4.120 -0.000 0.000 0.310 114 V C -0.976 175.125 176.094 0.012 0.000 1.061 114 V CA -0.731 61.590 62.300 0.036 0.000 0.913 114 V CB 1.363 33.223 31.823 0.062 0.000 1.005 114 V HN 1.626 nan 8.190 nan 0.000 0.428 115 L N 3.815 125.033 121.223 -0.010 0.000 2.643 115 L HA 0.514 4.854 4.340 -0.000 0.000 0.257 115 L C -0.440 176.378 176.870 -0.087 0.000 0.922 115 L CA -0.261 54.544 54.840 -0.058 0.000 0.909 115 L CB 2.071 44.070 42.059 -0.100 0.000 1.424 115 L HN 1.145 nan 8.230 nan 0.000 0.422 116 H N 2.241 121.277 119.070 -0.057 0.000 2.671 116 H HA 0.142 4.698 4.556 -0.000 0.000 0.372 116 H C 0.212 175.476 175.328 -0.107 0.000 1.227 116 H CA 0.283 56.265 56.048 -0.110 0.000 1.426 116 H CB 0.828 30.497 29.762 -0.156 0.000 1.480 116 H HN 0.879 nan 8.280 nan 0.000 0.611 117 Q N 1.825 121.644 119.800 0.032 0.000 2.181 117 Q HA -0.104 4.236 4.340 -0.000 0.000 0.205 117 Q C 2.168 178.162 176.000 -0.010 0.000 0.980 117 Q CA 1.608 57.395 55.803 -0.027 0.000 0.862 117 Q CB -0.499 28.204 28.738 -0.059 0.000 0.905 117 Q HN 0.955 nan 8.270 nan 0.000 0.429 118 G N 0.757 109.676 108.800 0.199 0.000 2.442 118 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.219 118 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.219 118 G C 1.410 176.272 174.900 -0.064 0.000 1.141 118 G CA 0.480 45.637 45.100 0.095 0.000 0.763 118 G HN 0.208 nan 8.290 nan 0.000 0.554 119 R N 0.108 120.440 120.500 -0.279 0.000 2.090 119 R HA 0.076 4.416 4.340 -0.000 0.000 0.228 119 R C 2.461 178.669 176.300 -0.153 0.000 1.110 119 R CA 0.386 56.345 56.100 -0.235 0.000 0.973 119 R CB -0.794 29.287 30.300 -0.364 0.000 0.869 119 R HN 0.325 nan 8.270 nan 0.000 0.440 120 I N 1.626 122.103 120.570 -0.154 0.000 2.179 120 I HA -0.186 3.984 4.170 -0.000 0.000 0.242 120 I C 2.108 178.178 176.117 -0.079 0.000 1.088 120 I CA 1.149 62.388 61.300 -0.103 0.000 1.357 120 I CB -1.210 36.738 38.000 -0.087 0.000 1.051 120 I HN 0.200 nan 8.210 nan 0.000 0.409 121 E N 0.315 120.467 120.200 -0.081 0.000 2.118 121 E HA -0.285 4.065 4.350 -0.000 0.000 0.195 121 E C 2.275 178.831 176.600 -0.072 0.000 0.992 121 E CA 1.385 57.740 56.400 -0.075 0.000 0.804 121 E CB -0.180 29.463 29.700 -0.097 0.000 0.741 121 E HN 0.302 nan 8.360 nan 0.000 0.458 122 R N 1.139 121.593 120.500 -0.076 0.000 2.073 122 R HA -0.104 4.236 4.340 -0.000 0.000 0.234 122 R C 2.165 178.442 176.300 -0.039 0.000 1.134 122 R CA 1.355 57.424 56.100 -0.053 0.000 0.952 122 R CB -0.020 30.261 30.300 -0.032 0.000 0.850 122 R HN -0.058 nan 8.270 nan 0.000 0.433 123 R N 0.507 120.980 120.500 -0.045 0.000 2.081 123 R HA -0.025 4.315 4.340 -0.000 0.000 0.235 123 R C 2.331 178.612 176.300 -0.031 0.000 1.131 123 R CA 1.667 57.745 56.100 -0.037 0.000 0.960 123 R CB -0.756 29.515 30.300 -0.047 0.000 0.856 123 R HN 0.400 nan 8.270 nan 0.000 0.436 124 I N 0.693 121.242 120.570 -0.034 0.000 2.252 124 I HA -0.233 3.937 4.170 -0.000 0.000 0.245 124 I C 2.295 178.402 176.117 -0.016 0.000 1.102 124 I CA 0.917 62.204 61.300 -0.022 0.000 1.385 124 I CB -0.360 37.628 38.000 -0.020 0.000 1.064 124 I HN 0.029 nan 8.210 nan 0.000 0.414 125 L N 0.585 121.794 121.223 -0.023 0.000 2.012 125 L HA -0.275 4.065 4.340 -0.000 0.000 0.210 125 L C 2.224 179.086 176.870 -0.013 0.000 1.073 125 L CA 1.462 56.290 54.840 -0.019 0.000 0.748 125 L CB -0.701 41.340 42.059 -0.029 0.000 0.891 125 L HN 0.270 nan 8.230 nan 0.000 0.431 126 D N -1.039 119.353 120.400 -0.013 0.000 2.117 126 D HA -0.187 4.453 4.640 -0.000 0.000 0.197 126 D C 2.364 178.661 176.300 -0.006 0.000 0.987 126 D CA 1.538 55.533 54.000 -0.008 0.000 0.829 126 D CB -0.148 40.648 40.800 -0.008 0.000 0.961 126 D HN 0.150 nan 8.370 nan 0.000 0.460 127 S N -0.266 115.430 115.700 -0.007 0.000 2.383 127 S HA -0.073 4.397 4.470 -0.000 0.000 0.227 127 S C 2.115 176.714 174.600 -0.001 0.000 1.026 127 S CA 0.415 58.612 58.200 -0.005 0.000 0.981 127 S CB -0.228 62.968 63.200 -0.006 0.000 0.818 127 S HN 0.159 nan 8.310 nan 0.000 0.472 128 I N 1.664 122.235 120.570 0.002 0.000 2.208 128 I HA -0.211 3.959 4.170 -0.000 0.000 0.245 128 I C 2.777 178.897 176.117 0.005 0.000 1.097 128 I CA 1.222 62.526 61.300 0.006 0.000 1.363 128 I CB -0.520 37.484 38.000 0.007 0.000 1.051 128 I HN 0.374 nan 8.210 nan 0.000 0.413 129 A N 0.142 122.963 122.820 0.002 0.000 1.883 129 A HA -0.285 4.035 4.320 -0.000 0.000 0.217 129 A C 2.337 179.922 177.584 0.002 0.000 1.186 129 A CA 2.067 54.105 52.037 0.002 0.000 0.624 129 A CB -0.689 18.310 19.000 -0.000 0.000 0.822 129 A HN 0.522 nan 8.150 nan 0.000 0.444 130 E N -0.347 119.853 120.200 -0.000 0.000 2.017 130 E HA -0.177 4.172 4.350 -0.000 0.000 0.193 130 E C 1.893 178.491 176.600 -0.002 0.000 0.997 130 E CA 1.477 57.877 56.400 -0.001 0.000 0.804 130 E CB -0.167 29.531 29.700 -0.003 0.000 0.757 130 E HN 0.480 nan 8.360 nan 0.000 0.448 131 I N 1.418 121.986 120.570 -0.004 0.000 2.252 131 I HA -0.194 3.976 4.170 -0.000 0.000 0.245 131 I C 2.683 178.798 176.117 -0.004 0.000 1.102 131 I CA 1.516 62.811 61.300 -0.009 0.000 1.385 131 I CB -1.376 36.616 38.000 -0.013 0.000 1.064 131 I HN 0.197 nan 8.210 nan 0.000 0.414 132 S N -0.367 115.336 115.700 0.005 0.000 2.558 132 S HA -0.064 4.406 4.470 -0.000 0.000 0.217 132 S C 0.758 175.365 174.600 0.011 0.000 0.975 132 S CA 0.322 58.529 58.200 0.012 0.000 0.912 132 S CB -0.340 62.872 63.200 0.019 0.000 0.776 132 S HN 0.430 nan 8.310 nan 0.000 0.526 133 D N 2.070 122.474 120.400 0.007 0.000 2.737 133 D HA -0.189 4.451 4.640 -0.000 0.000 0.238 133 D C 0.656 176.962 176.300 0.009 0.000 1.157 133 D CA 1.575 55.579 54.000 0.007 0.000 0.694 133 D CB -2.130 38.674 40.800 0.007 0.000 1.021 133 D HN 0.961 nan 8.370 nan 0.000 0.420 134 T N -2.984 111.575 114.554 0.008 0.000 6.355 134 T HA -0.405 3.945 4.350 -0.000 0.000 0.325 134 T C 1.329 176.037 174.700 0.014 0.000 1.258 134 T CA 1.949 64.054 62.100 0.009 0.000 2.332 134 T CB -1.561 67.311 68.868 0.006 0.000 2.396 134 T HN 0.690 nan 8.240 nan 0.000 1.078 135 R N 0.161 120.672 120.500 0.018 0.000 2.280 135 R HA 0.367 4.707 4.340 -0.000 0.000 0.207 135 R C 0.830 177.147 176.300 0.028 0.000 1.043 135 R CA 0.978 57.092 56.100 0.025 0.000 1.006 135 R CB 0.070 30.387 30.300 0.029 0.000 0.885 135 R HN 0.601 nan 8.270 nan 0.000 0.467 136 I N 1.286 121.870 120.570 0.024 0.000 2.410 136 I HA 0.254 4.424 4.170 -0.000 0.000 0.286 136 I C -0.638 175.488 176.117 0.016 0.000 1.009 136 I CA -0.566 60.749 61.300 0.025 0.000 1.111 136 I CB 1.801 39.818 38.000 0.028 0.000 1.262 136 I HN -0.166 nan 8.210 nan 0.000 0.443 137 K N 4.863 125.271 120.400 0.013 0.000 2.426 137 K HA 0.574 4.894 4.320 -0.000 0.000 0.251 137 K C -1.064 175.536 176.600 0.001 0.000 0.941 137 K CA -0.895 55.395 56.287 0.005 0.000 0.808 137 K CB 3.249 35.751 32.500 0.003 0.000 1.265 137 K HN 0.194 nan 8.250 nan 0.000 0.432 138 V N 2.603 122.513 119.914 -0.007 0.000 2.521 138 V HA 0.025 4.145 4.120 -0.000 0.000 0.286 138 V C -0.013 176.069 176.094 -0.019 0.000 1.034 138 V CA 0.072 62.364 62.300 -0.013 0.000 1.045 138 V CB 0.494 32.307 31.823 -0.018 0.000 0.974 138 V HN 0.679 nan 8.190 nan 0.000 0.480 139 E N 6.251 126.436 120.200 -0.025 0.000 2.134 139 E HA 0.635 4.985 4.350 -0.000 0.000 0.278 139 E C -0.178 176.385 176.600 -0.061 0.000 0.959 139 E CA -0.570 55.811 56.400 -0.032 0.000 0.783 139 E CB 1.248 30.932 29.700 -0.027 0.000 1.095 139 E HN 0.720 nan 8.360 nan 0.000 0.399 140 R N 2.020 122.484 120.500 -0.060 0.000 2.629 140 R HA 0.438 4.778 4.340 -0.000 0.000 0.266 140 R C -3.259 173.001 176.300 -0.066 0.000 1.051 140 R CA -2.060 54.005 56.100 -0.059 0.000 0.895 140 R CB 1.465 31.747 30.300 -0.031 0.000 1.246 140 R HN 0.189 nan 8.270 nan 0.000 0.459 141 P HA 0.340 nan 4.420 nan 0.000 0.293 141 P C -1.201 176.058 177.300 -0.068 0.000 1.313 141 P CA -0.538 62.564 63.100 0.005 0.000 0.787 141 P CB 1.190 32.947 31.700 0.095 0.000 0.910 142 L N 4.560 125.689 121.223 -0.156 0.000 2.388 142 L HA 0.609 4.949 4.340 -0.000 0.000 0.264 142 L C -0.103 176.622 176.870 -0.242 0.000 0.998 142 L CA -0.698 53.965 54.840 -0.295 0.000 0.817 142 L CB 2.314 44.105 42.059 -0.448 0.000 1.338 142 L HN 0.360 nan 8.230 nan 0.000 0.414 143 I N 2.949 123.353 120.570 -0.276 0.000 2.656 143 I HA 0.530 4.700 4.170 -0.000 0.000 0.292 143 I C -2.567 173.317 176.117 -0.390 0.000 1.144 143 I CA -2.028 59.092 61.300 -0.299 0.000 1.038 143 I CB 3.099 40.949 38.000 -0.250 0.000 1.244 143 I HN 0.399 nan 8.210 nan 0.000 0.420 144 P HA 0.215 nan 4.420 nan 0.000 0.271 144 P C -0.619 176.189 177.300 -0.821 0.000 1.216 144 P CA 0.054 62.733 63.100 -0.701 0.000 0.776 144 P CB 0.634 31.720 31.700 -1.022 0.000 0.881 145 E N 1.321 121.266 120.200 -0.425 0.000 2.434 145 E HA 0.106 4.456 4.350 -0.000 0.000 0.207 145 E C 0.308 176.983 176.600 0.125 0.000 0.929 145 E CA 0.257 56.548 56.400 -0.181 0.000 1.001 145 E CB 0.785 30.440 29.700 -0.075 0.000 1.016 145 E HN 0.373 nan 8.360 nan 0.000 0.502 146 K N 0.919 121.413 120.400 0.155 0.000 2.557 146 K HA 0.426 4.746 4.320 -0.000 0.000 0.261 146 K C -1.883 174.906 176.600 0.314 0.000 0.932 146 K CA -0.464 56.004 56.287 0.300 0.000 0.829 146 K CB 2.309 34.891 32.500 0.135 0.000 1.358 146 K HN -0.064 nan 8.250 nan 0.000 0.430 147 M N 3.236 123.011 119.600 0.292 0.000 2.267 147 M HA 0.381 4.861 4.480 -0.000 0.000 0.289 147 M C -1.856 174.473 176.300 0.048 0.000 1.043 147 M CA -0.209 55.191 55.300 0.167 0.000 0.928 147 M CB 1.933 34.641 32.600 0.180 0.000 1.613 147 M HN 0.582 nan 8.290 nan 0.000 0.450 148 E N 5.509 125.727 120.200 0.030 0.000 2.210 148 E HA 0.578 4.928 4.350 -0.000 0.000 0.266 148 E C -1.366 175.236 176.600 0.003 0.000 0.883 148 E CA -0.588 55.817 56.400 0.008 0.000 0.761 148 E CB 2.743 32.453 29.700 0.017 0.000 1.156 148 E HN 0.647 nan 8.360 nan 0.000 0.412 149 I N 1.978 122.539 120.570 -0.015 0.000 2.406 149 I HA 0.190 4.360 4.170 -0.000 0.000 0.290 149 I C -0.663 175.446 176.117 -0.014 0.000 0.999 149 I CA -0.794 60.493 61.300 -0.021 0.000 1.124 149 I CB 1.557 39.530 38.000 -0.045 0.000 1.289 149 I HN 0.448 nan 8.210 nan 0.000 0.441 150 D N 4.368 124.764 120.400 -0.007 0.000 2.456 150 D HA 0.194 4.834 4.640 -0.000 0.000 0.219 150 D C 0.747 177.038 176.300 -0.016 0.000 1.126 150 D CA 0.011 54.009 54.000 -0.004 0.000 0.890 150 D CB 1.237 42.043 40.800 0.010 0.000 1.025 150 D HN 0.394 nan 8.370 nan 0.000 0.511 151 S N 1.283 116.973 115.700 -0.016 0.000 2.447 151 S HA -0.149 4.321 4.470 -0.000 0.000 0.233 151 S C 1.970 176.560 174.600 -0.016 0.000 1.006 151 S CA 0.949 59.137 58.200 -0.019 0.000 0.957 151 S CB 0.000 63.192 63.200 -0.014 0.000 0.773 151 S HN 0.652 nan 8.310 nan 0.000 0.507 152 S N 1.405 117.099 115.700 -0.010 0.000 2.474 152 S HA 0.050 4.520 4.470 -0.000 0.000 0.235 152 S C 1.218 175.812 174.600 -0.011 0.000 0.997 152 S CA 0.617 58.812 58.200 -0.008 0.000 0.949 152 S CB -0.217 62.981 63.200 -0.003 0.000 0.766 152 S HN 0.429 nan 8.310 nan 0.000 0.517 153 K N 0.488 120.878 120.400 -0.016 0.000 2.373 153 K HA 0.453 4.773 4.320 -0.000 0.000 0.202 153 K C 1.831 178.406 176.600 -0.043 0.000 1.025 153 K CA 0.362 56.635 56.287 -0.022 0.000 1.115 153 K CB 0.192 32.683 32.500 -0.015 0.000 0.858 153 K HN 0.397 nan 8.250 nan 0.000 0.525 154 A N 1.613 124.408 122.820 -0.041 0.000 1.978 154 A HA -0.170 4.150 4.320 -0.000 0.000 0.220 154 A C 1.573 179.132 177.584 -0.042 0.000 1.170 154 A CA 1.500 53.505 52.037 -0.053 0.000 0.636 154 A CB -0.026 18.952 19.000 -0.037 0.000 0.810 154 A HN 0.139 nan 8.150 nan 0.000 0.448 155 E N 0.108 120.293 120.200 -0.024 0.000 2.481 155 E HA 0.050 4.400 4.350 -0.000 0.000 0.198 155 E C -0.561 176.030 176.600 -0.015 0.000 1.027 155 E CA -0.116 56.278 56.400 -0.010 0.000 0.900 155 E CB -0.018 29.682 29.700 -0.001 0.000 0.993 155 E HN 0.516 nan 8.360 nan 0.000 0.482 156 D N 1.939 122.320 120.400 -0.031 0.000 2.316 156 D HA 0.062 4.702 4.640 -0.000 0.000 0.245 156 D C -1.519 174.749 176.300 -0.054 0.000 1.171 156 D CA -2.173 51.807 54.000 -0.033 0.000 0.856 156 D CB 1.577 42.358 40.800 -0.031 0.000 1.090 156 D HN -0.138 nan 8.370 nan 0.000 0.476 157 P HA -0.055 nan 4.420 nan 0.000 0.223 157 P C 0.566 177.814 177.300 -0.086 0.000 1.151 157 P CA 0.691 63.766 63.100 -0.040 0.000 0.787 157 P CB 0.591 32.285 31.700 -0.009 0.000 0.788 158 E N -0.471 119.682 120.200 -0.078 0.000 2.447 158 E HA 0.182 4.532 4.350 -0.000 0.000 0.195 158 E C 1.090 177.604 176.600 -0.143 0.000 1.028 158 E CA -0.056 56.290 56.400 -0.091 0.000 0.876 158 E CB -0.050 29.634 29.700 -0.027 0.000 0.885 158 E HN 0.184 nan 8.360 nan 0.000 0.500 159 A N 0.554 123.289 122.820 -0.143 0.000 2.313 159 A HA 0.367 4.687 4.320 -0.000 0.000 0.261 159 A C -0.823 176.603 177.584 -0.263 0.000 1.090 159 A CA -0.199 51.785 52.037 -0.089 0.000 0.807 159 A CB 0.142 19.115 19.000 -0.044 0.000 1.055 159 A HN 0.085 nan 8.150 nan 0.000 0.492 160 Y N 0.783 121.100 120.300 0.028 0.000 2.863 160 Y HA 0.341 4.891 4.550 -0.000 0.000 0.348 160 Y C -1.871 174.040 175.900 0.018 0.000 1.028 160 Y CA -1.716 56.413 58.100 0.049 0.000 1.213 160 Y CB 1.164 39.731 38.460 0.177 0.000 1.120 160 Y HN 0.531 nan 8.280 nan 0.000 0.598 161 P HA -0.039 nan 4.420 nan 0.000 0.233 161 P C -0.252 177.062 177.300 0.023 0.000 1.167 161 P CA 0.830 63.934 63.100 0.006 0.000 0.770 161 P CB 0.474 32.130 31.700 -0.075 0.000 0.837 162 V N -0.042 119.897 119.914 0.041 0.000 2.350 162 V HA 0.244 4.364 4.120 -0.000 0.000 0.285 162 V C 0.073 176.206 176.094 0.064 0.000 1.014 162 V CA -0.359 61.963 62.300 0.036 0.000 0.831 162 V CB 1.367 33.197 31.823 0.011 0.000 1.000 162 V HN -0.145 nan 8.190 nan 0.000 0.433 163 T N 6.954 121.535 114.554 0.044 0.000 2.733 163 T HA 0.529 4.879 4.350 -0.000 0.000 0.294 163 T C -0.099 174.583 174.700 -0.030 0.000 0.956 163 T CA -0.375 61.715 62.100 -0.017 0.000 0.987 163 T CB 0.597 69.462 68.868 -0.004 0.000 0.920 163 T HN 0.358 nan 8.240 nan 0.000 0.470 164 M N 3.104 122.663 119.600 -0.068 0.000 2.205 164 M HA 0.334 4.814 4.480 -0.000 0.000 0.344 164 M C 0.085 176.337 176.300 -0.080 0.000 1.085 164 M CA -0.560 54.721 55.300 -0.032 0.000 1.001 164 M CB 1.288 33.875 32.600 -0.022 0.000 1.626 164 M HN 0.381 nan 8.290 nan 0.000 0.442 165 T N 5.182 119.708 114.554 -0.048 0.000 2.749 165 T HA 0.701 5.051 4.350 -0.000 0.000 0.287 165 T C 0.055 174.695 174.700 -0.101 0.000 0.970 165 T CA -0.440 61.625 62.100 -0.057 0.000 0.980 165 T CB 0.724 69.585 68.868 -0.012 0.000 0.924 165 T HN 0.464 nan 8.240 nan 0.000 0.456 166 L N 3.090 124.250 121.223 -0.106 0.000 2.342 166 L HA 0.670 5.010 4.340 -0.000 0.000 0.271 166 L C 0.214 177.000 176.870 -0.141 0.000 1.008 166 L CA -1.122 53.611 54.840 -0.180 0.000 0.818 166 L CB 2.094 44.013 42.059 -0.233 0.000 1.296 166 L HN 0.411 nan 8.230 nan 0.000 0.427 167 R N 1.099 121.486 120.500 -0.189 0.000 2.562 167 R HA 0.426 4.766 4.340 -0.000 0.000 0.298 167 R C -1.581 174.619 176.300 -0.167 0.000 0.961 167 R CA -0.594 55.448 56.100 -0.097 0.000 0.881 167 R CB 1.239 31.492 30.300 -0.078 0.000 1.159 167 R HN 0.381 nan 8.270 nan 0.000 0.450 168 Y N 4.348 124.610 120.300 -0.063 0.000 2.393 168 Y HA 0.217 4.767 4.550 -0.000 0.000 0.338 168 Y C 0.472 176.367 175.900 -0.008 0.000 1.029 168 Y CA -0.019 58.059 58.100 -0.037 0.000 1.239 168 Y CB 1.097 39.535 38.460 -0.037 0.000 1.170 168 Y HN 0.372 nan 8.280 nan 0.000 0.515 169 M N 2.523 122.188 119.600 0.109 0.000 2.342 169 M HA 0.352 4.832 4.480 -0.000 0.000 0.332 169 M C 0.350 176.764 176.300 0.191 0.000 1.166 169 M CA -0.669 54.693 55.300 0.104 0.000 1.086 169 M CB 1.231 33.865 32.600 0.056 0.000 1.541 169 M HN 0.672 nan 8.290 nan 0.000 0.462 170 S N -0.084 115.672 115.700 0.093 0.000 2.632 170 S HA 0.143 4.613 4.470 -0.000 0.000 0.267 170 S C 0.825 175.330 174.600 -0.158 0.000 1.276 170 S CA -0.576 57.632 58.200 0.013 0.000 0.998 170 S CB 1.157 64.328 63.200 -0.047 0.000 0.953 170 S HN 0.874 nan 8.310 nan 0.000 0.547 171 E N 0.643 120.445 120.200 -0.662 0.000 2.085 171 E HA -0.232 4.118 4.350 -0.000 0.000 0.194 171 E C 0.863 177.293 176.600 -0.284 0.000 0.994 171 E CA 1.781 57.705 56.400 -0.794 0.000 0.801 171 E CB -0.296 28.762 29.700 -1.070 0.000 0.743 171 E HN 0.759 nan 8.360 nan 0.000 0.453 172 D N 0.399 120.673 120.400 -0.211 0.000 2.182 172 D HA -0.154 4.486 4.640 -0.000 0.000 0.201 172 D C 1.594 177.855 176.300 -0.065 0.000 0.986 172 D CA 1.036 54.969 54.000 -0.111 0.000 0.847 172 D CB -0.117 40.630 40.800 -0.088 0.000 0.942 172 D HN 0.386 nan 8.370 nan 0.000 0.467 173 E N 0.156 120.323 120.200 -0.055 0.000 2.152 173 E HA -0.037 4.312 4.350 -0.000 0.000 0.192 173 E C 0.740 177.334 176.600 -0.009 0.000 0.983 173 E CA 0.259 56.645 56.400 -0.024 0.000 0.818 173 E CB 0.093 29.785 29.700 -0.013 0.000 0.758 173 E HN -0.024 nan 8.360 nan 0.000 0.467 174 S N 1.011 116.711 115.700 0.001 0.000 2.505 174 S HA 0.045 4.515 4.470 -0.000 0.000 0.276 174 S C -0.098 174.517 174.600 0.024 0.000 1.274 174 S CA -0.456 57.761 58.200 0.028 0.000 1.053 174 S CB 0.787 64.029 63.200 0.071 0.000 0.919 174 S HN -0.069 nan 8.310 nan 0.000 0.490 175 T N 8.120 122.693 114.554 0.032 0.000 2.727 175 T HA 0.357 4.707 4.350 -0.000 0.000 0.295 175 T C -2.172 172.563 174.700 0.058 0.000 0.915 175 T CA -0.712 61.410 62.100 0.037 0.000 1.066 175 T CB 0.558 69.448 68.868 0.038 0.000 0.891 175 T HN 0.557 nan 8.240 nan 0.000 0.516 176 P HA 0.339 nan 4.420 nan 0.000 0.274 176 P C -0.527 176.833 177.300 0.100 0.000 1.256 176 P CA -0.763 62.385 63.100 0.080 0.000 0.795 176 P CB 0.527 32.263 31.700 0.059 0.000 1.038 177 L N 1.003 122.309 121.223 0.137 0.000 2.349 177 L HA 0.220 4.560 4.340 -0.000 0.000 0.275 177 L C 2.047 179.002 176.870 0.142 0.000 1.115 177 L CA -0.118 54.832 54.840 0.184 0.000 0.820 177 L CB 0.208 42.416 42.059 0.248 0.000 1.135 177 L HN 0.505 nan 8.230 nan 0.000 0.445 178 Q N 2.870 122.748 119.800 0.129 0.000 2.119 178 Q HA -0.090 4.249 4.340 -0.000 0.000 0.201 178 Q C 0.022 175.903 176.000 -0.199 0.000 0.972 178 Q CA 1.498 57.262 55.803 -0.066 0.000 0.847 178 Q CB 0.143 28.797 28.738 -0.140 0.000 0.903 178 Q HN 0.592 nan 8.270 nan 0.000 0.433 179 F N 0.844 120.925 119.950 0.220 0.000 2.334 179 F HA 0.450 4.977 4.527 -0.000 0.000 0.343 179 F C 0.755 176.671 175.800 0.193 0.000 1.136 179 F CA -0.614 57.517 58.000 0.218 0.000 1.237 179 F CB 0.705 39.908 39.000 0.339 0.000 1.525 179 F HN 0.041 nan 8.300 nan 0.000 0.528 180 G N -0.090 108.849 108.800 0.232 0.000 2.494 180 G HA2 0.032 3.991 3.960 -0.000 0.000 0.270 180 G HA3 0.032 3.991 3.960 -0.000 0.000 0.270 180 G C -0.595 174.340 174.900 0.059 0.000 1.423 180 G CA -0.457 44.761 45.100 0.196 0.000 1.055 180 G HN 0.529 nan 8.290 nan 0.000 0.536 181 H N 0.343 119.192 119.070 -0.368 0.000 2.897 181 H HA 0.188 4.744 4.556 -0.000 0.000 0.347 181 H C -0.509 174.681 175.328 -0.231 0.000 1.068 181 H CA 0.665 56.341 56.048 -0.620 0.000 1.426 181 H CB 0.427 29.516 29.762 -1.121 0.000 1.410 181 H HN 0.152 nan 8.280 nan 0.000 0.597 182 K N 3.667 123.554 120.400 -0.855 0.000 2.376 182 K HA 0.185 4.505 4.320 -0.000 0.000 0.257 182 K C -0.443 175.728 176.600 -0.715 0.000 0.939 182 K CA -0.810 55.147 56.287 -0.550 0.000 0.809 182 K CB 1.927 34.289 32.500 -0.230 0.000 1.121 182 K HN 0.559 nan 8.250 nan 0.000 0.425 183 T N 2.933 117.281 114.554 -0.343 0.000 2.928 183 T HA -0.006 4.344 4.350 -0.000 0.000 0.305 183 T C 0.274 174.926 174.700 -0.079 0.000 1.035 183 T CA -0.041 61.988 62.100 -0.118 0.000 1.145 183 T CB 0.352 69.216 68.868 -0.008 0.000 0.963 183 T HN 0.323 nan 8.240 nan 0.000 0.545 184 E N 2.735 122.927 120.200 -0.012 0.000 2.392 184 E HA 0.128 4.478 4.350 -0.000 0.000 0.259 184 E C 0.223 176.841 176.600 0.030 0.000 1.108 184 E CA -0.155 56.256 56.400 0.018 0.000 0.916 184 E CB 0.602 30.333 29.700 0.052 0.000 0.989 184 E HN 0.570 nan 8.360 nan 0.000 0.432 185 N N -0.312 118.413 118.700 0.042 0.000 2.483 185 N HA 0.426 5.166 4.740 -0.000 0.000 0.269 185 N C 0.440 175.990 175.510 0.067 0.000 1.209 185 N CA 0.356 53.432 53.050 0.045 0.000 0.969 185 N CB 0.811 39.322 38.487 0.041 0.000 1.173 185 N HN 0.617 nan 8.380 nan 0.000 0.475 186 G N -0.501 108.335 108.800 0.059 0.000 2.750 186 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.228 186 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.228 186 G C 0.403 175.351 174.900 0.080 0.000 1.367 186 G CA -0.383 44.761 45.100 0.073 0.000 0.871 186 G HN 0.415 nan 8.290 nan 0.000 0.560 187 L N -0.840 120.443 121.223 0.100 0.000 2.127 187 L HA 0.271 4.611 4.340 -0.000 0.000 0.203 187 L C 1.888 178.831 176.870 0.121 0.000 1.080 187 L CA 0.420 55.316 54.840 0.094 0.000 0.768 187 L CB -0.258 41.856 42.059 0.093 0.000 0.924 187 L HN 0.470 nan 8.230 nan 0.000 0.444 188 F N 2.288 122.251 119.950 0.022 0.000 2.607 188 F HA 0.119 4.645 4.527 -0.000 0.000 0.374 188 F C 0.350 176.168 175.800 0.031 0.000 1.104 188 F CA -0.013 58.002 58.000 0.024 0.000 1.296 188 F CB 0.259 39.273 39.000 0.023 0.000 1.085 188 F HN -0.073 nan 8.300 nan 0.000 0.584 189 R N 4.306 124.252 120.500 -0.924 0.000 2.514 189 R HA 0.239 4.579 4.340 -0.000 0.000 0.296 189 R C -0.596 175.047 176.300 -1.094 0.000 1.012 189 R CA -0.675 54.961 56.100 -0.774 0.000 0.897 189 R CB 1.422 31.532 30.300 -0.317 0.000 1.184 189 R HN 0.814 nan 8.270 nan 0.000 0.440 190 S N 1.516 116.709 115.700 -0.845 0.000 2.624 190 S HA 0.152 4.622 4.470 -0.000 0.000 0.263 190 S C 0.981 175.469 174.600 -0.186 0.000 1.287 190 S CA -0.518 57.455 58.200 -0.378 0.000 0.990 190 S CB 0.922 64.114 63.200 -0.014 0.000 0.950 190 S HN 0.437 nan 8.310 nan 0.000 0.561 191 N N 0.168 118.824 118.700 -0.074 0.000 2.104 191 N HA -0.088 4.651 4.740 -0.000 0.000 0.190 191 N C 1.461 176.957 175.510 -0.023 0.000 1.024 191 N CA 0.931 53.956 53.050 -0.041 0.000 0.853 191 N CB -0.992 37.489 38.487 -0.009 0.000 1.008 191 N HN 0.542 nan 8.380 nan 0.000 0.424 192 L N 1.630 122.852 121.223 -0.002 0.000 2.017 192 L HA -0.151 4.189 4.340 -0.000 0.000 0.208 192 L C 2.176 179.065 176.870 0.033 0.000 1.073 192 L CA 1.655 56.508 54.840 0.021 0.000 0.745 192 L CB -0.671 41.411 42.059 0.038 0.000 0.894 192 L HN 0.200 nan 8.230 nan 0.000 0.432 193 Q N -1.848 117.960 119.800 0.014 0.000 2.124 193 Q HA -0.179 4.161 4.340 -0.000 0.000 0.202 193 Q C 2.004 178.015 176.000 0.018 0.000 0.977 193 Q CA 2.005 57.829 55.803 0.035 0.000 0.850 193 Q CB -0.221 28.511 28.738 -0.010 0.000 0.901 193 Q HN 0.487 nan 8.270 nan 0.000 0.429 194 T N 0.411 114.944 114.554 -0.036 0.000 2.777 194 T HA -0.188 4.161 4.350 -0.000 0.000 0.266 194 T C 1.733 176.421 174.700 -0.020 0.000 1.040 194 T CA 1.424 63.502 62.100 -0.038 0.000 1.141 194 T CB -0.133 68.699 68.868 -0.059 0.000 0.868 194 T HN 0.165 nan 8.240 nan 0.000 0.444 195 Q N 0.928 120.725 119.800 -0.005 0.000 2.119 195 Q HA -0.076 4.264 4.340 -0.000 0.000 0.201 195 Q C 2.234 178.248 176.000 0.023 0.000 0.972 195 Q CA 1.348 57.153 55.803 0.003 0.000 0.847 195 Q CB -0.173 28.570 28.738 0.007 0.000 0.903 195 Q HN 0.378 nan 8.270 nan 0.000 0.433 196 E N 0.259 120.496 120.200 0.063 0.000 2.077 196 E HA -0.226 4.124 4.350 -0.000 0.000 0.193 196 E C 1.799 178.338 176.600 -0.102 0.000 0.989 196 E CA 1.329 57.818 56.400 0.149 0.000 0.800 196 E CB -0.080 29.796 29.700 0.293 0.000 0.746 196 E HN 0.597 nan 8.360 nan 0.000 0.452 197 E N 0.805 120.893 120.200 -0.187 0.000 2.072 197 E HA -0.175 4.175 4.350 -0.000 0.000 0.191 197 E C 1.840 178.309 176.600 -0.218 0.000 0.985 197 E CA 0.977 57.153 56.400 -0.372 0.000 0.801 197 E CB 0.141 29.782 29.700 -0.099 0.000 0.750 197 E HN 0.267 nan 8.360 nan 0.000 0.452 198 E N 0.321 120.465 120.200 -0.094 0.000 2.110 198 E HA -0.179 4.171 4.350 -0.000 0.000 0.193 198 E C 1.616 178.198 176.600 -0.030 0.000 0.988 198 E CA 1.077 57.447 56.400 -0.050 0.000 0.804 198 E CB -0.038 29.645 29.700 -0.028 0.000 0.745 198 E HN 0.272 nan 8.360 nan 0.000 0.458 199 D N 0.391 120.790 120.400 -0.001 0.000 2.350 199 D HA -0.056 4.584 4.640 -0.000 0.000 0.216 199 D C 1.428 177.800 176.300 0.119 0.000 0.968 199 D CA 0.644 54.679 54.000 0.057 0.000 0.894 199 D CB 0.006 40.856 40.800 0.083 0.000 0.909 199 D HN 0.150 nan 8.370 nan 0.000 0.520 200 A N 0.064 122.901 122.820 0.028 0.000 2.238 200 A HA 0.001 4.321 4.320 -0.000 0.000 0.208 200 A C 0.842 178.444 177.584 0.029 0.000 1.177 200 A CA -0.014 52.023 52.037 -0.001 0.000 0.804 200 A CB 0.015 18.785 19.000 -0.384 0.000 0.823 200 A HN 0.048 nan 8.150 nan 0.000 0.482 201 N N -0.537 118.179 118.700 0.028 0.000 2.509 201 N HA 0.249 4.989 4.740 -0.000 0.000 0.287 201 N C -0.854 174.717 175.510 0.101 0.000 1.121 201 N CA -0.278 52.808 53.050 0.060 0.000 0.977 201 N CB 0.738 39.244 38.487 0.032 0.000 1.167 201 N HN 0.336 nan 8.380 nan 0.000 0.476 202 Y N 1.726 122.039 120.300 0.020 0.000 2.465 202 Y HA 0.172 4.722 4.550 -0.000 0.000 0.331 202 Y C 0.087 176.000 175.900 0.020 0.000 1.102 202 Y CA 0.076 58.191 58.100 0.024 0.000 1.358 202 Y CB 0.437 38.910 38.460 0.021 0.000 1.213 202 Y HN 0.447 nan 8.280 nan 0.000 0.525 203 R N 7.411 127.578 120.500 -0.555 0.000 2.585 203 R HA 0.333 4.673 4.340 -0.000 0.000 0.288 203 R C -1.901 174.139 176.300 -0.432 0.000 1.194 203 R CA -0.537 55.299 56.100 -0.439 0.000 1.006 203 R CB 0.655 30.856 30.300 -0.166 0.000 1.229 203 R HN 0.858 nan 8.270 nan 0.000 0.412 204 L N 4.378 125.331 121.223 -0.449 0.000 2.466 204 L HA 0.450 4.790 4.340 -0.000 0.000 0.257 204 L C -1.692 175.127 176.870 -0.085 0.000 1.189 204 L CA -1.944 52.779 54.840 -0.196 0.000 0.813 204 L CB 0.463 42.471 42.059 -0.086 0.000 1.118 204 L HN 0.469 nan 8.230 nan 0.000 0.471 205 P HA -0.010 nan 4.420 nan 0.000 0.268 205 P C -0.809 176.475 177.300 -0.026 0.000 1.208 205 P CA -0.316 62.789 63.100 0.009 0.000 0.777 205 P CB 0.284 32.033 31.700 0.081 0.000 0.875 206 E N 1.342 121.527 120.200 -0.025 0.000 2.765 206 E HA 0.005 4.355 4.350 -0.000 0.000 0.256 206 E C 1.590 178.160 176.600 -0.050 0.000 0.935 206 E CA 1.754 58.134 56.400 -0.033 0.000 0.954 206 E CB -0.425 29.262 29.700 -0.020 0.000 0.908 206 E HN 0.807 nan 8.360 nan 0.000 0.500 207 G N 3.297 112.061 108.800 -0.060 0.000 2.205 207 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.261 207 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.261 207 G C 0.301 175.122 174.900 -0.132 0.000 0.980 207 G CA 0.462 45.515 45.100 -0.077 0.000 0.632 207 G HN 0.376 nan 8.290 nan 0.000 0.533 208 K N 1.412 121.706 120.400 -0.177 0.000 2.098 208 K HA 0.540 4.860 4.320 -0.000 0.000 0.261 208 K C 0.472 176.935 176.600 -0.229 0.000 0.987 208 K CA -0.091 55.993 56.287 -0.338 0.000 0.916 208 K CB 1.390 33.553 32.500 -0.563 0.000 1.039 208 K HN 0.794 nan 8.250 nan 0.000 0.455 209 E N -0.296 119.750 120.200 -0.257 0.000 2.317 209 E HA 0.566 4.916 4.350 -0.000 0.000 0.270 209 E C -0.998 175.578 176.600 -0.041 0.000 0.885 209 E CA -1.206 55.132 56.400 -0.103 0.000 0.760 209 E CB 1.559 31.206 29.700 -0.087 0.000 1.227 209 E HN 0.453 nan 8.360 nan 0.000 0.434 210 A N 1.561 124.417 122.820 0.060 0.000 2.584 210 A HA 0.377 4.697 4.320 -0.000 0.000 0.239 210 A C 1.327 178.934 177.584 0.039 0.000 1.043 210 A CA 1.064 53.163 52.037 0.103 0.000 0.756 210 A CB -0.860 18.204 19.000 0.107 0.000 0.963 210 A HN 1.394 nan 8.150 nan 0.000 0.511 211 G N 1.125 109.957 108.800 0.054 0.000 2.232 211 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.226 211 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.226 211 G C 0.275 175.147 174.900 -0.047 0.000 0.996 211 G CA 0.437 45.533 45.100 -0.006 0.000 0.626 211 G HN 1.197 nan 8.290 nan 0.000 0.509 212 E N 0.941 121.119 120.200 -0.036 0.000 2.415 212 E HA 0.395 4.745 4.350 -0.000 0.000 0.262 212 E C -0.034 176.587 176.600 0.035 0.000 1.038 212 E CA -0.283 56.057 56.400 -0.101 0.000 0.921 212 E CB 0.208 29.762 29.700 -0.242 0.000 0.950 212 E HN 0.169 nan 8.360 nan 0.000 0.438 213 I N 4.217 124.734 120.570 -0.088 0.000 2.382 213 I HA 0.199 4.369 4.170 -0.000 0.000 0.286 213 I C -0.293 175.883 176.117 0.098 0.000 1.002 213 I CA -0.289 61.016 61.300 0.009 0.000 1.135 213 I CB 1.188 39.163 38.000 -0.042 0.000 1.288 213 I HN 0.689 nan 8.210 nan 0.000 0.448 214 E N 4.600 124.878 120.200 0.131 0.000 2.158 214 E HA 0.388 4.738 4.350 -0.000 0.000 0.271 214 E C -0.910 175.693 176.600 0.005 0.000 0.911 214 E CA -0.408 56.054 56.400 0.104 0.000 0.767 214 E CB 1.397 31.215 29.700 0.197 0.000 1.120 214 E HN 0.466 nan 8.360 nan 0.000 0.405 215 T N 3.690 118.215 114.554 -0.048 0.000 2.727 215 T HA 0.248 4.598 4.350 -0.000 0.000 0.298 215 T C -0.504 173.993 174.700 -0.339 0.000 0.942 215 T CA -0.408 61.576 62.100 -0.193 0.000 0.997 215 T CB 0.598 69.339 68.868 -0.211 0.000 0.917 215 T HN 0.201 nan 8.240 nan 0.000 0.487 216 V N 5.765 125.481 119.914 -0.330 0.000 2.357 216 V HA 0.259 4.379 4.120 -0.000 0.000 0.284 216 V C 0.086 175.945 176.094 -0.392 0.000 1.018 216 V CA -1.043 61.070 62.300 -0.312 0.000 0.841 216 V CB 0.668 32.416 31.823 -0.125 0.000 0.991 216 V HN 0.815 nan 8.190 nan 0.000 0.437 217 H N 3.050 121.928 119.070 -0.321 0.000 2.742 217 H HA 0.373 4.929 4.556 -0.000 0.000 0.302 217 H C -0.455 174.898 175.328 0.041 0.000 1.069 217 H CA -0.200 55.695 56.048 -0.255 0.000 1.446 217 H CB 1.298 30.630 29.762 -0.717 0.000 1.462 217 H HN 0.619 nan 8.280 nan 0.000 0.499 218 C N 3.186 122.651 119.300 0.275 0.000 2.507 218 C HA 0.213 4.673 4.460 -0.000 0.000 0.319 218 C C 1.692 176.814 174.990 0.220 0.000 1.208 218 C CA -0.928 58.265 59.018 0.292 0.000 1.619 218 C CB 2.056 29.883 27.740 0.146 0.000 2.230 218 C HN 0.821 nan 8.230 nan 0.000 0.492 219 K N 0.435 120.901 120.400 0.110 0.000 2.116 219 K HA 0.043 4.363 4.320 -0.000 0.000 0.203 219 K C -0.576 175.710 176.600 -0.524 0.000 1.052 219 K CA 1.427 57.554 56.287 -0.267 0.000 0.952 219 K CB 0.113 32.465 32.500 -0.245 0.000 0.729 219 K HN 0.657 nan 8.250 nan 0.000 0.446 220 Y N -0.878 119.469 120.300 0.077 0.000 2.534 220 Y HA 0.356 4.906 4.550 -0.000 0.000 0.345 220 Y C -0.729 175.233 175.900 0.104 0.000 1.031 220 Y CA -1.141 57.018 58.100 0.100 0.000 1.022 220 Y CB 2.115 40.647 38.460 0.119 0.000 1.292 220 Y HN -0.405 nan 8.280 nan 0.000 0.459 221 V N 4.210 124.286 119.914 0.269 0.000 2.709 221 V HA 0.516 4.635 4.120 -0.000 0.000 0.308 221 V C -0.762 175.469 176.094 0.228 0.000 1.062 221 V CA -0.850 61.564 62.300 0.190 0.000 0.901 221 V CB 2.101 33.997 31.823 0.121 0.000 1.003 221 V HN 0.557 nan 8.190 nan 0.000 0.425 222 I N 3.449 124.120 120.570 0.168 0.000 2.410 222 I HA 0.492 4.662 4.170 -0.000 0.000 0.286 222 I C 0.788 176.969 176.117 0.105 0.000 1.009 222 I CA -0.470 60.921 61.300 0.152 0.000 1.111 222 I CB 1.822 39.859 38.000 0.063 0.000 1.262 222 I HN 0.734 nan 8.210 nan 0.000 0.443 223 G N 4.891 113.758 108.800 0.112 0.000 2.394 223 G HA2 0.304 4.264 3.960 -0.000 0.000 0.298 223 G HA3 0.304 4.264 3.960 -0.000 0.000 0.298 223 G C -0.009 174.924 174.900 0.055 0.000 1.087 223 G CA -0.150 45.003 45.100 0.088 0.000 1.035 223 G HN 0.798 nan 8.290 nan 0.000 0.420 224 C N 3.141 122.467 119.300 0.044 0.000 2.624 224 C HA 0.213 4.673 4.460 -0.000 0.000 0.263 224 C C 0.832 175.836 174.990 0.023 0.000 1.587 224 C CA -1.020 58.012 59.018 0.023 0.000 1.718 224 C CB -0.582 27.172 27.740 0.022 0.000 3.050 224 C HN 0.822 nan 8.230 nan 0.000 0.517 225 D N 0.030 120.451 120.400 0.036 0.000 2.395 225 D HA 0.362 5.002 4.640 -0.000 0.000 0.226 225 D C 0.971 177.297 176.300 0.044 0.000 1.146 225 D CA 0.508 54.537 54.000 0.049 0.000 0.830 225 D CB 0.037 40.888 40.800 0.086 0.000 0.958 225 D HN 0.548 nan 8.370 nan 0.000 0.501 226 G N -0.436 108.369 108.800 0.008 0.000 2.728 226 G HA2 -0.099 3.861 3.960 -0.000 0.000 0.294 226 G HA3 -0.099 3.861 3.960 -0.000 0.000 0.294 226 G C 0.896 175.760 174.900 -0.060 0.000 1.342 226 G CA -0.211 44.880 45.100 -0.014 0.000 0.866 226 G HN 0.446 nan 8.290 nan 0.000 0.534 227 G N -1.535 107.185 108.800 -0.134 0.000 2.462 227 G HA2 -0.060 3.900 3.960 -0.000 0.000 0.220 227 G HA3 -0.060 3.900 3.960 -0.000 0.000 0.220 227 G C 1.016 175.707 174.900 -0.349 0.000 1.121 227 G CA 1.672 46.606 45.100 -0.277 0.000 0.758 227 G HN 0.872 nan 8.290 nan 0.000 0.559 228 H N -0.057 119.032 119.070 0.032 0.000 2.507 228 H HA 0.257 4.813 4.556 -0.000 0.000 0.294 228 H C 1.023 176.387 175.328 0.061 0.000 1.064 228 H CA -0.128 55.946 56.048 0.044 0.000 1.138 228 H CB -0.049 29.744 29.762 0.053 0.000 1.515 228 H HN 0.240 nan 8.280 nan 0.000 0.547 229 S N 1.044 116.803 115.700 0.099 0.000 3.746 229 S HA -0.206 4.264 4.470 -0.000 0.000 0.446 229 S C 1.259 175.943 174.600 0.139 0.000 1.133 229 S CA 0.016 58.279 58.200 0.106 0.000 1.060 229 S CB -0.206 63.014 63.200 0.034 0.000 0.729 229 S HN 0.642 nan 8.310 nan 0.000 0.510 230 W N 5.838 127.141 121.300 0.005 0.000 2.388 230 W HA -0.082 4.578 4.660 -0.000 0.000 0.294 230 W C 1.619 178.116 176.519 -0.038 0.000 1.212 230 W CA 1.327 58.666 57.345 -0.010 0.000 1.271 230 W CB -0.370 29.084 29.460 -0.011 0.000 1.126 230 W HN 0.599 nan 8.180 nan 0.000 0.535 231 V N 1.542 121.590 119.914 0.224 0.000 2.261 231 V HA -0.337 3.783 4.120 -0.000 0.000 0.246 231 V C 2.619 178.583 176.094 -0.217 0.000 1.047 231 V CA 2.408 64.711 62.300 0.006 0.000 1.015 231 V CB -1.197 30.700 31.823 0.122 0.000 0.642 231 V HN 0.249 nan 8.190 nan 0.000 0.446 232 R N 0.190 120.616 120.500 -0.124 0.000 2.096 232 R HA -0.211 4.129 4.340 -0.000 0.000 0.240 232 R C 2.526 178.679 176.300 -0.245 0.000 1.139 232 R CA 2.022 58.027 56.100 -0.157 0.000 0.952 232 R CB -0.255 30.029 30.300 -0.027 0.000 0.854 232 R HN 0.435 nan 8.270 nan 0.000 0.436 233 R N -0.704 119.667 120.500 -0.216 0.000 2.120 233 R HA -0.059 4.281 4.340 -0.000 0.000 0.234 233 R C 2.233 178.311 176.300 -0.369 0.000 1.123 233 R CA 1.849 57.812 56.100 -0.229 0.000 0.975 233 R CB -0.251 29.945 30.300 -0.172 0.000 0.866 233 R HN 0.300 nan 8.270 nan 0.000 0.446 234 T N 1.409 115.611 114.554 -0.587 0.000 2.867 234 T HA -0.018 4.332 4.350 -0.000 0.000 0.268 234 T C 1.756 176.168 174.700 -0.480 0.000 1.057 234 T CA 0.827 62.530 62.100 -0.661 0.000 1.136 234 T CB -0.006 68.191 68.868 -1.118 0.000 0.874 234 T HN 0.143 nan 8.240 nan 0.000 0.466 235 L N 0.344 121.243 121.223 -0.540 0.000 2.291 235 L HA 0.145 4.484 4.340 -0.000 0.000 0.214 235 L C 1.978 178.505 176.870 -0.571 0.000 1.120 235 L CA 0.686 55.111 54.840 -0.691 0.000 0.799 235 L CB -0.611 40.699 42.059 -1.248 0.000 0.925 235 L HN 0.506 nan 8.230 nan 0.000 0.446 236 G N -0.460 108.127 108.800 -0.355 0.000 2.147 236 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.244 236 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.244 236 G C -0.048 174.935 174.900 0.137 0.000 1.005 236 G CA -0.495 44.543 45.100 -0.103 0.000 0.713 236 G HN 0.096 nan 8.290 nan 0.000 0.515 237 F N 1.565 121.495 119.950 -0.035 0.000 2.413 237 F HA 0.439 4.965 4.527 -0.000 0.000 0.359 237 F C 0.889 176.690 175.800 0.003 0.000 1.122 237 F CA -1.736 56.262 58.000 -0.003 0.000 1.160 237 F CB 0.818 39.826 39.000 0.014 0.000 1.146 237 F HN 0.314 nan 8.300 nan 0.000 0.514 238 E N 3.653 123.967 120.200 0.190 0.000 2.360 238 E HA 0.130 4.480 4.350 -0.000 0.000 0.269 238 E C -0.458 176.204 176.600 0.103 0.000 1.022 238 E CA -0.668 55.798 56.400 0.110 0.000 0.887 238 E CB 0.680 30.426 29.700 0.076 0.000 0.990 238 E HN 0.323 nan 8.360 nan 0.000 0.426 239 M N 5.442 125.093 119.600 0.085 0.000 2.135 239 M HA 0.225 4.704 4.480 -0.000 0.000 0.345 239 M C -0.424 175.919 176.300 0.073 0.000 1.340 239 M CA -0.402 54.947 55.300 0.082 0.000 1.162 239 M CB 0.171 32.810 32.600 0.066 0.000 1.570 239 M HN 0.442 nan 8.290 nan 0.000 0.454 240 I N 2.625 123.240 120.570 0.074 0.000 2.441 240 I HA 0.645 4.815 4.170 -0.000 0.000 0.287 240 I C 0.869 177.028 176.117 0.070 0.000 1.049 240 I CA 0.164 61.501 61.300 0.062 0.000 1.381 240 I CB 0.522 38.552 38.000 0.050 0.000 1.409 240 I HN 0.798 nan 8.210 nan 0.000 0.523 241 G N 5.043 113.883 108.800 0.067 0.000 2.326 241 G HA2 0.140 4.100 3.960 -0.000 0.000 0.413 241 G HA3 0.140 4.100 3.960 -0.000 0.000 0.413 241 G C -1.453 173.496 174.900 0.081 0.000 1.444 241 G CA -0.793 44.357 45.100 0.084 0.000 1.002 241 G HN 0.613 nan 8.290 nan 0.000 0.649 242 E N -0.596 119.663 120.200 0.098 0.000 2.264 242 E HA 0.722 5.072 4.350 -0.000 0.000 0.260 242 E C -0.187 176.457 176.600 0.074 0.000 0.961 242 E CA -0.639 55.809 56.400 0.079 0.000 0.834 242 E CB 1.619 31.366 29.700 0.078 0.000 1.230 242 E HN 0.618 nan 8.360 nan 0.000 0.412 243 Q N 0.716 120.548 119.800 0.054 0.000 2.316 243 Q HA 0.420 4.760 4.340 -0.000 0.000 0.264 243 Q C -0.715 175.313 176.000 0.046 0.000 0.987 243 Q CA -0.712 55.125 55.803 0.057 0.000 0.852 243 Q CB 1.360 30.119 28.738 0.036 0.000 1.287 243 Q HN 0.806 nan 8.270 nan 0.000 0.448 244 T N -0.463 114.127 114.554 0.059 0.000 2.771 244 T HA 0.212 4.562 4.350 -0.000 0.000 0.290 244 T C 0.267 174.979 174.700 0.022 0.000 1.005 244 T CA -0.449 61.649 62.100 -0.003 0.000 0.944 244 T CB 0.507 69.367 68.868 -0.014 0.000 1.147 244 T HN 0.500 nan 8.240 nan 0.000 0.534 245 D N -0.891 119.437 120.400 -0.121 0.000 2.349 245 D HA 0.153 4.793 4.640 -0.000 0.000 0.214 245 D C -0.462 175.816 176.300 -0.036 0.000 1.063 245 D CA 0.088 54.060 54.000 -0.046 0.000 0.847 245 D CB -0.220 40.513 40.800 -0.113 0.000 0.933 245 D HN 0.467 nan 8.370 nan 0.000 0.513 246 Y N 0.769 121.120 120.300 0.086 0.000 2.442 246 Y HA 0.234 4.784 4.550 -0.000 0.000 0.330 246 Y C 0.908 176.823 175.900 0.025 0.000 1.129 246 Y CA -0.046 58.092 58.100 0.063 0.000 1.365 246 Y CB 0.437 38.989 38.460 0.153 0.000 1.233 246 Y HN -0.216 nan 8.280 nan 0.000 0.529 247 I N 3.008 123.603 120.570 0.042 0.000 2.509 247 I HA 0.335 4.505 4.170 -0.000 0.000 0.293 247 I C -1.084 174.835 176.117 -0.330 0.000 1.020 247 I CA -0.741 60.413 61.300 -0.244 0.000 1.088 247 I CB 1.620 39.366 38.000 -0.424 0.000 1.267 247 I HN 0.497 nan 8.210 nan 0.000 0.430 248 W N 3.152 123.974 121.300 -0.795 0.000 2.882 248 W HA 0.739 5.399 4.660 -0.000 0.000 0.345 248 W C 0.211 176.281 176.519 -0.749 0.000 1.125 248 W CA -0.606 56.269 57.345 -0.783 0.000 1.167 248 W CB 1.883 30.796 29.460 -0.911 0.000 1.431 248 W HN 0.448 nan 8.180 nan 0.000 0.543 249 G N 0.172 108.859 108.800 -0.189 0.000 2.511 249 G HA2 0.743 4.703 3.960 -0.000 0.000 0.318 249 G HA3 0.743 4.703 3.960 -0.000 0.000 0.318 249 G C -1.951 173.024 174.900 0.124 0.000 1.210 249 G CA -0.839 44.224 45.100 -0.062 0.000 0.969 249 G HN 0.297 nan 8.290 nan 0.000 0.484 250 V N 0.341 120.313 119.914 0.098 0.000 2.760 250 V HA 0.553 4.673 4.120 -0.000 0.000 0.309 250 V C -0.562 175.584 176.094 0.087 0.000 1.077 250 V CA -0.587 61.745 62.300 0.052 0.000 0.910 250 V CB 1.704 33.522 31.823 -0.008 0.000 1.008 250 V HN 0.618 nan 8.190 nan 0.000 0.424 251 L N 3.237 124.561 121.223 0.168 0.000 2.381 251 L HA 0.621 4.961 4.340 -0.000 0.000 0.274 251 L C -1.248 175.792 176.870 0.282 0.000 0.988 251 L CA -0.568 54.414 54.840 0.238 0.000 0.824 251 L CB 2.213 44.451 42.059 0.298 0.000 1.263 251 L HN 0.515 nan 8.230 nan 0.000 0.410 252 D N 3.386 123.929 120.400 0.237 0.000 2.373 252 D HA 0.676 5.316 4.640 -0.000 0.000 0.227 252 D C -0.421 175.988 176.300 0.182 0.000 1.091 252 D CA 0.201 54.325 54.000 0.206 0.000 0.840 252 D CB 1.937 42.847 40.800 0.183 0.000 1.060 252 D HN 0.612 nan 8.370 nan 0.000 0.502 253 A N 1.685 124.651 122.820 0.244 0.000 2.587 253 A HA 0.600 4.920 4.320 -0.000 0.000 0.293 253 A C -1.047 176.661 177.584 0.206 0.000 1.087 253 A CA -0.706 51.457 52.037 0.211 0.000 0.692 253 A CB 1.374 20.516 19.000 0.237 0.000 1.291 253 A HN 0.234 nan 8.150 nan 0.000 0.407 254 V N 3.482 123.469 119.914 0.122 0.000 2.368 254 V HA 0.398 4.518 4.120 -0.000 0.000 0.266 254 V C -1.978 174.158 176.094 0.069 0.000 1.045 254 V CA -1.024 61.338 62.300 0.102 0.000 0.899 254 V CB 0.842 32.700 31.823 0.058 0.000 1.006 254 V HN 0.781 nan 8.190 nan 0.000 0.470 255 P HA 0.496 nan 4.420 nan 0.000 0.279 255 P C -1.011 176.249 177.300 -0.067 0.000 1.252 255 P CA -0.734 62.364 63.100 -0.004 0.000 0.811 255 P CB 1.770 33.622 31.700 0.253 0.000 1.035 256 A N 0.744 123.446 122.820 -0.198 0.000 2.409 256 A HA 0.600 4.920 4.320 -0.000 0.000 0.300 256 A C -0.356 177.127 177.584 -0.168 0.000 1.273 256 A CA -0.475 51.479 52.037 -0.138 0.000 0.774 256 A CB 0.275 19.189 19.000 -0.144 0.000 1.144 256 A HN 0.508 nan 8.150 nan 0.000 0.472 257 S N 1.502 117.158 115.700 -0.073 0.000 2.537 257 S HA 0.450 4.920 4.470 -0.000 0.000 0.271 257 S C -0.187 174.431 174.600 0.031 0.000 1.148 257 S CA -0.301 57.869 58.200 -0.050 0.000 0.868 257 S CB 1.002 64.158 63.200 -0.073 0.000 1.115 257 S HN 0.889 nan 8.310 nan 0.000 0.461 258 N N 2.335 121.082 118.700 0.078 0.000 2.268 258 N HA 0.113 4.853 4.740 -0.000 0.000 0.204 258 N C -0.225 175.377 175.510 0.152 0.000 1.124 258 N CA -0.318 52.806 53.050 0.123 0.000 0.838 258 N CB -0.371 38.204 38.487 0.147 0.000 0.994 258 N HN 0.420 nan 8.380 nan 0.000 0.489 259 F N 2.541 122.435 119.950 -0.093 0.000 2.571 259 F HA 0.235 4.762 4.527 -0.000 0.000 0.384 259 F C -1.322 174.357 175.800 -0.202 0.000 1.058 259 F CA -2.045 55.757 58.000 -0.330 0.000 1.200 259 F CB 0.859 39.678 39.000 -0.300 0.000 1.077 259 F HN -0.070 nan 8.300 nan 0.000 0.558 260 P HA -0.149 nan 4.420 nan 0.000 0.216 260 P C 0.201 177.321 177.300 -0.300 0.000 1.150 260 P CA 1.515 64.379 63.100 -0.392 0.000 0.837 260 P CB 0.220 31.716 31.700 -0.339 0.000 0.786 261 D N -1.266 118.821 120.400 -0.522 0.000 2.615 261 D HA 0.097 4.737 4.640 -0.000 0.000 0.236 261 D C 1.276 177.713 176.300 0.227 0.000 1.233 261 D CA -0.213 53.736 54.000 -0.086 0.000 0.829 261 D CB -0.030 40.792 40.800 0.037 0.000 1.024 261 D HN 0.059 nan 8.370 nan 0.000 0.490 262 I N 0.925 121.675 120.570 0.301 0.000 2.423 262 I HA -0.206 3.964 4.170 -0.000 0.000 0.254 262 I C 1.770 178.039 176.117 0.253 0.000 1.151 262 I CA 1.295 62.844 61.300 0.415 0.000 1.421 262 I CB 0.170 38.372 38.000 0.336 0.000 1.079 262 I HN -0.159 nan 8.210 nan 0.000 0.431 263 R N -0.442 120.158 120.500 0.168 0.000 2.362 263 R HA 0.292 4.631 4.340 -0.000 0.000 0.227 263 R C 0.701 177.066 176.300 0.109 0.000 0.905 263 R CA 0.073 56.243 56.100 0.117 0.000 1.067 263 R CB -0.213 30.141 30.300 0.089 0.000 1.078 263 R HN 0.269 nan 8.270 nan 0.000 0.516 264 S N 0.528 116.311 115.700 0.139 0.000 2.608 264 S HA 0.358 4.828 4.470 -0.000 0.000 0.291 264 S C 0.071 174.766 174.600 0.158 0.000 1.146 264 S CA -0.676 57.603 58.200 0.132 0.000 1.043 264 S CB 1.626 64.909 63.200 0.138 0.000 1.037 264 S HN 0.217 nan 8.310 nan 0.000 0.520 265 R N 1.470 122.054 120.500 0.140 0.000 2.679 265 R HA 0.373 4.713 4.340 -0.000 0.000 0.268 265 R C -1.201 175.235 176.300 0.227 0.000 1.044 265 R CA 0.212 56.418 56.100 0.177 0.000 1.105 265 R CB -0.228 30.170 30.300 0.162 0.000 0.989 265 R HN 0.696 nan 8.270 nan 0.000 0.447 266 C N 2.406 121.885 119.300 0.298 0.000 3.082 266 C HA 0.677 5.137 4.460 -0.000 0.000 0.324 266 C C -0.799 174.466 174.990 0.457 0.000 1.210 266 C CA -0.881 58.357 59.018 0.367 0.000 1.366 266 C CB 1.783 29.756 27.740 0.389 0.000 1.756 266 C HN 0.909 nan 8.230 nan 0.000 0.485 267 A N 2.300 125.430 122.820 0.516 0.000 2.318 267 A HA 0.909 5.229 4.320 -0.000 0.000 0.317 267 A C -0.986 176.850 177.584 0.421 0.000 1.159 267 A CA -0.299 52.093 52.037 0.592 0.000 0.799 267 A CB 0.379 19.793 19.000 0.690 0.000 1.194 267 A HN 0.794 nan 8.150 nan 0.000 0.479 268 I N 2.395 123.116 120.570 0.252 0.000 2.418 268 I HA 0.280 4.450 4.170 -0.000 0.000 0.287 268 I C -0.943 175.157 176.117 -0.027 0.000 1.008 268 I CA -0.476 60.897 61.300 0.123 0.000 1.104 268 I CB 1.810 39.729 38.000 -0.135 0.000 1.264 268 I HN 0.698 nan 8.210 nan 0.000 0.438 269 H N 3.703 122.774 119.070 0.001 0.000 2.556 269 H HA 0.364 4.920 4.556 -0.000 0.000 0.310 269 H C 0.167 175.475 175.328 -0.033 0.000 1.057 269 H CA -0.202 55.800 56.048 -0.076 0.000 1.264 269 H CB 1.300 30.978 29.762 -0.141 0.000 1.404 269 H HN 0.618 nan 8.280 nan 0.000 0.462 270 S N 1.948 117.650 115.700 0.003 0.000 2.669 270 S HA 0.468 4.938 4.470 -0.000 0.000 0.270 270 S C 1.568 176.189 174.600 0.036 0.000 1.225 270 S CA -0.332 57.879 58.200 0.019 0.000 0.991 270 S CB 1.568 64.739 63.200 -0.048 0.000 0.987 270 S HN 0.683 nan 8.310 nan 0.000 0.552 271 A N 0.780 123.631 122.820 0.051 0.000 1.877 271 A HA 0.021 4.341 4.320 -0.000 0.000 0.216 271 A C 1.536 179.128 177.584 0.014 0.000 1.186 271 A CA 1.704 53.767 52.037 0.043 0.000 0.620 271 A CB -0.767 18.268 19.000 0.059 0.000 0.822 271 A HN 0.905 nan 8.150 nan 0.000 0.443 272 E N -1.952 118.244 120.200 -0.007 0.000 2.712 272 E HA 0.188 4.538 4.350 -0.000 0.000 0.221 272 E C 0.836 177.403 176.600 -0.054 0.000 0.943 272 E CA 0.375 56.761 56.400 -0.024 0.000 1.259 272 E CB 0.932 30.621 29.700 -0.019 0.000 1.167 272 E HN 0.325 nan 8.360 nan 0.000 0.569 273 S N 0.270 115.923 115.700 -0.078 0.000 2.540 273 S HA 0.504 4.974 4.470 -0.000 0.000 0.218 273 S C 0.698 175.181 174.600 -0.195 0.000 0.977 273 S CA 0.199 58.327 58.200 -0.120 0.000 0.918 273 S CB 0.917 64.050 63.200 -0.112 0.000 0.806 273 S HN 0.440 nan 8.310 nan 0.000 0.496 274 G N 1.103 109.779 108.800 -0.208 0.000 2.566 274 G HA2 -0.051 3.909 3.960 -0.000 0.000 0.599 274 G HA3 -0.051 3.909 3.960 -0.000 0.000 0.599 274 G C -0.662 174.012 174.900 -0.377 0.000 1.292 274 G CA -0.779 44.122 45.100 -0.333 0.000 0.922 274 G HN 0.258 nan 8.290 nan 0.000 0.514 275 S N -1.004 114.375 115.700 -0.535 0.000 2.664 275 S HA 0.856 5.326 4.470 -0.000 0.000 0.304 275 S C 0.062 174.390 174.600 -0.453 0.000 1.099 275 S CA -0.522 57.411 58.200 -0.446 0.000 1.003 275 S CB 1.542 64.544 63.200 -0.330 0.000 1.092 275 S HN 0.676 nan 8.310 nan 0.000 0.525 276 I N 1.615 122.075 120.570 -0.183 0.000 2.730 276 I HA 0.447 4.617 4.170 -0.000 0.000 0.298 276 I C -0.905 175.352 176.117 0.233 0.000 1.089 276 I CA -0.489 60.778 61.300 -0.056 0.000 1.041 276 I CB 2.032 39.821 38.000 -0.352 0.000 1.235 276 I HN 0.455 nan 8.210 nan 0.000 0.423 277 M N 6.782 126.576 119.600 0.324 0.000 2.181 277 M HA 0.566 5.046 4.480 -0.000 0.000 0.323 277 M C -1.552 174.945 176.300 0.329 0.000 1.004 277 M CA -0.465 55.044 55.300 0.347 0.000 0.941 277 M CB 1.430 34.107 32.600 0.128 0.000 1.579 277 M HN 0.397 nan 8.290 nan 0.000 0.427 278 I N 5.692 126.422 120.570 0.266 0.000 2.353 278 I HA 0.342 4.512 4.170 -0.000 0.000 0.293 278 I C -0.548 175.645 176.117 0.126 0.000 0.992 278 I CA -0.641 60.730 61.300 0.118 0.000 1.268 278 I CB 1.281 39.373 38.000 0.154 0.000 1.387 278 I HN 0.574 nan 8.210 nan 0.000 0.478 279 I N 8.441 129.022 120.570 0.017 0.000 2.495 279 I HA 0.280 4.450 4.170 -0.000 0.000 0.277 279 I C -2.324 173.786 176.117 -0.013 0.000 1.045 279 I CA -2.349 59.001 61.300 0.084 0.000 1.135 279 I CB 1.186 39.304 38.000 0.196 0.000 1.241 279 I HN 0.199 nan 8.210 nan 0.000 0.469 280 P HA 0.265 nan 4.420 nan 0.000 0.271 280 P C -0.166 177.152 177.300 0.030 0.000 1.216 280 P CA -0.229 62.875 63.100 0.007 0.000 0.771 280 P CB 1.459 33.188 31.700 0.049 0.000 0.864 281 R N 1.376 121.892 120.500 0.027 0.000 3.055 281 R HA 0.302 4.642 4.340 -0.000 0.000 0.231 281 R C 0.724 177.054 176.300 0.051 0.000 1.443 281 R CA -0.783 55.343 56.100 0.043 0.000 1.063 281 R CB 0.659 30.986 30.300 0.046 0.000 1.514 281 R HN 0.550 nan 8.270 nan 0.000 0.510 282 E N 1.262 121.495 120.200 0.054 0.000 2.392 282 E HA -0.029 4.321 4.350 -0.000 0.000 0.256 282 E C -0.427 176.210 176.600 0.062 0.000 1.145 282 E CA -0.276 56.156 56.400 0.053 0.000 0.929 282 E CB 0.194 29.921 29.700 0.046 0.000 0.998 282 E HN 0.424 nan 8.360 nan 0.000 0.442 283 N N 2.148 120.882 118.700 0.056 0.000 2.725 283 N HA -0.239 4.501 4.740 -0.000 0.000 0.251 283 N C -0.626 174.920 175.510 0.061 0.000 1.031 283 N CA 1.077 54.162 53.050 0.059 0.000 0.720 283 N CB -1.426 37.102 38.487 0.067 0.000 0.930 283 N HN 0.694 nan 8.380 nan 0.000 0.543 284 N N -2.886 115.849 118.700 0.059 0.000 2.900 284 N HA -0.235 4.505 4.740 -0.000 0.000 0.240 284 N C 0.030 175.585 175.510 0.076 0.000 0.953 284 N CA 1.076 54.164 53.050 0.063 0.000 0.950 284 N CB -1.146 37.375 38.487 0.057 0.000 1.102 284 N HN 0.519 nan 8.380 nan 0.000 0.593 285 L N 0.960 122.228 121.223 0.075 0.000 2.436 285 L HA 0.426 4.766 4.340 -0.000 0.000 0.265 285 L C 0.610 177.518 176.870 0.064 0.000 1.168 285 L CA -0.244 54.647 54.840 0.085 0.000 0.815 285 L CB 1.095 43.204 42.059 0.082 0.000 1.109 285 L HN -0.183 nan 8.230 nan 0.000 0.462 286 V N 2.195 122.144 119.914 0.059 0.000 2.733 286 V HA 0.395 4.515 4.120 -0.000 0.000 0.306 286 V C -0.357 175.606 176.094 -0.218 0.000 1.084 286 V CA -0.764 61.465 62.300 -0.117 0.000 0.905 286 V CB 2.010 33.710 31.823 -0.205 0.000 1.010 286 V HN 0.704 nan 8.190 nan 0.000 0.424 287 R N 3.254 123.593 120.500 -0.268 0.000 2.297 287 R HA 0.630 4.970 4.340 -0.000 0.000 0.308 287 R C -1.787 174.265 176.300 -0.413 0.000 1.029 287 R CA -0.270 55.713 56.100 -0.195 0.000 0.929 287 R CB 0.799 31.038 30.300 -0.101 0.000 1.046 287 R HN 0.528 nan 8.270 nan 0.000 0.461 288 F N 4.332 124.301 119.950 0.033 0.000 2.460 288 F HA 0.334 4.861 4.527 -0.000 0.000 0.341 288 F C -0.882 174.907 175.800 -0.018 0.000 1.130 288 F CA -0.698 57.337 58.000 0.057 0.000 0.962 288 F CB 1.249 40.296 39.000 0.078 0.000 1.171 288 F HN 0.426 nan 8.300 nan 0.000 0.436 289 Y N 2.722 123.194 120.300 0.287 0.000 2.350 289 Y HA 0.538 5.088 4.550 -0.000 0.000 0.340 289 Y C -0.171 175.932 175.900 0.337 0.000 1.006 289 Y CA -0.785 57.522 58.100 0.346 0.000 1.166 289 Y CB 1.120 39.732 38.460 0.254 0.000 1.168 289 Y HN 0.221 nan 8.280 nan 0.000 0.502 290 V N 4.387 124.485 119.914 0.307 0.000 2.407 290 V HA 0.234 4.354 4.120 -0.000 0.000 0.291 290 V C -0.240 175.561 176.094 -0.487 0.000 1.018 290 V CA -1.230 60.997 62.300 -0.122 0.000 0.842 290 V CB 1.415 33.148 31.823 -0.149 0.000 0.996 290 V HN 0.697 nan 8.190 nan 0.000 0.426 291 Q N 3.930 123.029 119.800 -1.167 0.000 2.352 291 Q HA 0.522 4.862 4.340 -0.000 0.000 0.260 291 Q C -1.088 174.422 176.000 -0.816 0.000 0.976 291 Q CA -0.058 54.792 55.803 -1.588 0.000 0.881 291 Q CB 0.879 28.506 28.738 -1.851 0.000 1.235 291 Q HN 0.692 nan 8.270 nan 0.000 0.419 292 L N 1.674 122.480 121.223 -0.696 0.000 2.298 292 L HA 0.384 4.724 4.340 -0.000 0.000 0.268 292 L C -0.386 176.288 176.870 -0.328 0.000 1.010 292 L CA -1.334 53.214 54.840 -0.487 0.000 0.812 292 L CB 1.059 42.712 42.059 -0.676 0.000 1.331 292 L HN 0.588 nan 8.230 nan 0.000 0.450 293 Q N 1.638 121.334 119.800 -0.174 0.000 2.262 293 Q HA 0.312 4.652 4.340 -0.000 0.000 0.272 293 Q C -0.126 175.863 176.000 -0.018 0.000 1.076 293 Q CA 0.160 55.921 55.803 -0.070 0.000 0.905 293 Q CB 0.913 29.646 28.738 -0.008 0.000 1.182 293 Q HN 0.578 nan 8.270 nan 0.000 0.390 306 K N 0.396 120.433 120.400 -0.605 0.000 3.204 306 K HA 0.530 4.850 4.320 -0.000 0.000 0.196 306 K C -2.191 174.130 176.600 -0.465 0.000 1.229 306 K CA -0.666 55.372 56.287 -0.415 0.000 0.820 306 K CB -0.344 31.996 32.500 -0.267 0.000 1.130 306 K HN 0.560 nan 8.250 nan 0.000 0.569 307 F N 0.923 120.917 119.950 0.073 0.000 2.411 307 F HA 0.467 4.994 4.527 -0.000 0.000 0.352 307 F C 1.086 177.011 175.800 0.208 0.000 1.123 307 F CA -0.604 57.460 58.000 0.105 0.000 1.044 307 F CB 1.623 40.678 39.000 0.092 0.000 1.135 307 F HN 0.142 nan 8.300 nan 0.000 0.461 308 T N 0.354 115.066 114.554 0.263 0.000 2.949 308 T HA 0.436 4.786 4.350 -0.000 0.000 0.287 308 T C -2.226 172.347 174.700 -0.211 0.000 1.034 308 T CA -2.335 59.788 62.100 0.038 0.000 1.018 308 T CB 2.099 70.953 68.868 -0.023 0.000 1.135 308 T HN 0.138 nan 8.240 nan 0.000 0.532 309 P HA -0.078 nan 4.420 nan 0.000 0.216 309 P C 1.174 178.339 177.300 -0.225 0.000 1.153 309 P CA 1.090 63.805 63.100 -0.641 0.000 0.858 309 P CB 0.054 31.395 31.700 -0.598 0.000 0.789 310 E N -0.765 119.343 120.200 -0.155 0.000 2.085 310 E HA -0.123 4.227 4.350 -0.000 0.000 0.194 310 E C 2.026 178.610 176.600 -0.026 0.000 0.994 310 E CA 0.947 57.305 56.400 -0.071 0.000 0.801 310 E CB -1.319 28.348 29.700 -0.055 0.000 0.743 310 E HN 0.030 nan 8.360 nan 0.000 0.453 311 V N 0.136 120.053 119.914 0.005 0.000 2.358 311 V HA -0.207 3.913 4.120 -0.000 0.000 0.246 311 V C 2.176 178.286 176.094 0.026 0.000 1.047 311 V CA 1.268 63.601 62.300 0.054 0.000 1.035 311 V CB -0.339 31.582 31.823 0.164 0.000 0.658 311 V HN 0.140 nan 8.190 nan 0.000 0.452 312 V N -0.083 119.841 119.914 0.016 0.000 2.343 312 V HA -0.251 3.869 4.120 -0.000 0.000 0.247 312 V C 2.174 178.259 176.094 -0.015 0.000 1.051 312 V CA 2.110 64.400 62.300 -0.016 0.000 1.036 312 V CB -0.518 31.329 31.823 0.039 0.000 0.654 312 V HN 0.444 nan 8.190 nan 0.000 0.451 313 I N 0.476 121.057 120.570 0.019 0.000 2.286 313 I HA -0.226 3.944 4.170 -0.000 0.000 0.248 313 I C 2.644 178.804 176.117 0.071 0.000 1.115 313 I CA 1.377 62.733 61.300 0.094 0.000 1.392 313 I CB -0.532 37.510 38.000 0.070 0.000 1.065 313 I HN 0.284 nan 8.210 nan 0.000 0.418 314 A N 0.680 123.513 122.820 0.022 0.000 1.902 314 A HA -0.264 4.056 4.320 -0.000 0.000 0.217 314 A C 2.059 179.634 177.584 -0.016 0.000 1.181 314 A CA 2.369 54.412 52.037 0.011 0.000 0.623 314 A CB -0.917 18.084 19.000 0.002 0.000 0.818 314 A HN 0.444 nan 8.150 nan 0.000 0.443 315 N N -0.394 118.272 118.700 -0.055 0.000 2.188 315 N HA -0.009 4.731 4.740 -0.000 0.000 0.184 315 N C 1.822 177.240 175.510 -0.154 0.000 1.018 315 N CA 1.228 54.208 53.050 -0.116 0.000 0.858 315 N CB -0.239 38.145 38.487 -0.171 0.000 0.989 315 N HN 0.424 nan 8.380 nan 0.000 0.426 316 A N 0.850 123.573 122.820 -0.163 0.000 1.908 316 A HA -0.186 4.134 4.320 -0.000 0.000 0.218 316 A C 2.000 179.531 177.584 -0.089 0.000 1.181 316 A CA 1.438 53.308 52.037 -0.278 0.000 0.627 316 A CB -0.417 18.288 19.000 -0.492 0.000 0.818 316 A HN 0.238 nan 8.150 nan 0.000 0.445 317 K N -0.221 120.218 120.400 0.065 0.000 2.103 317 K HA -0.155 4.165 4.320 -0.000 0.000 0.207 317 K C 2.070 178.734 176.600 0.107 0.000 1.048 317 K CA 1.752 58.136 56.287 0.161 0.000 0.930 317 K CB -0.144 32.440 32.500 0.140 0.000 0.716 317 K HN 0.461 nan 8.250 nan 0.000 0.444 318 K N 0.426 120.836 120.400 0.016 0.000 2.097 318 K HA -0.056 4.264 4.320 -0.000 0.000 0.205 318 K C 2.052 178.645 176.600 -0.013 0.000 1.050 318 K CA 1.088 57.370 56.287 -0.008 0.000 0.938 318 K CB -0.044 32.420 32.500 -0.059 0.000 0.718 318 K HN 0.122 nan 8.250 nan 0.000 0.442 319 I N 0.026 120.530 120.570 -0.110 0.000 2.315 319 I HA -0.209 3.961 4.170 -0.000 0.000 0.248 319 I C 1.705 177.713 176.117 -0.181 0.000 1.117 319 I CA 1.044 62.222 61.300 -0.203 0.000 1.404 319 I CB -0.112 37.655 38.000 -0.387 0.000 1.071 319 I HN 0.011 nan 8.210 nan 0.000 0.419 320 F N 0.116 119.996 119.950 -0.116 0.000 2.502 320 F HA -0.074 4.453 4.527 -0.000 0.000 0.298 320 F C 1.419 177.282 175.800 0.105 0.000 1.111 320 F CA 0.346 58.300 58.000 -0.078 0.000 1.445 320 F CB -1.059 37.861 39.000 -0.132 0.000 1.081 320 F HN 0.065 nan 8.300 nan 0.000 0.558 321 H N 2.513 121.670 119.070 0.145 0.000 3.173 321 H HA -0.049 4.507 4.556 -0.000 0.000 0.311 321 H C -1.884 173.417 175.328 -0.045 0.000 0.972 321 H CA -0.854 55.212 56.048 0.031 0.000 1.384 321 H CB 0.708 30.467 29.762 -0.006 0.000 1.349 321 H HN -0.125 nan 8.280 nan 0.000 0.582 322 P HA 0.047 nan 4.420 nan 0.000 0.261 322 P C -0.848 176.154 177.300 -0.498 0.000 1.352 322 P CA 0.007 62.496 63.100 -1.018 0.000 0.891 322 P CB -0.064 30.893 31.700 -1.238 0.000 1.383 323 Y N 0.935 121.231 120.300 -0.006 0.000 2.314 323 Y HA 0.242 4.791 4.550 -0.000 0.000 0.334 323 Y C 1.915 177.842 175.900 0.045 0.000 1.266 323 Y CA -0.079 58.069 58.100 0.081 0.000 1.391 323 Y CB -0.046 38.577 38.460 0.272 0.000 1.306 323 Y HN -0.157 nan 8.280 nan 0.000 0.558 324 T N -0.552 114.100 114.554 0.162 0.000 2.882 324 T HA 0.516 4.866 4.350 -0.000 0.000 0.287 324 T C -1.109 173.585 174.700 -0.011 0.000 1.014 324 T CA -0.525 61.614 62.100 0.065 0.000 1.049 324 T CB 0.858 69.741 68.868 0.024 0.000 1.001 324 T HN 0.473 nan 8.240 nan 0.000 0.525 325 F N 0.850 120.675 119.950 -0.208 0.000 2.689 325 F HA 0.490 5.017 4.527 -0.000 0.000 0.332 325 F C -1.767 173.909 175.800 -0.206 0.000 1.209 325 F CA -0.801 56.992 58.000 -0.345 0.000 1.028 325 F CB 1.467 40.174 39.000 -0.489 0.000 1.291 325 F HN 0.722 nan 8.300 nan 0.000 0.500 326 D N 4.054 123.921 120.400 -0.890 0.000 2.596 326 D HA 0.482 5.122 4.640 -0.000 0.000 0.234 326 D C -1.409 174.404 176.300 -0.811 0.000 1.181 326 D CA -0.390 53.190 54.000 -0.701 0.000 0.856 326 D CB 3.218 43.822 40.800 -0.327 0.000 1.498 326 D HN 0.239 nan 8.370 nan 0.000 0.446 327 V N 2.220 121.816 119.914 -0.529 0.000 2.347 327 V HA 0.109 4.229 4.120 -0.000 0.000 0.280 327 V C 1.167 177.153 176.094 -0.180 0.000 1.021 327 V CA -0.159 61.938 62.300 -0.339 0.000 0.847 327 V CB 1.449 33.139 31.823 -0.223 0.000 0.990 327 V HN 0.449 nan 8.190 nan 0.000 0.444 328 Q N 2.818 122.544 119.800 -0.124 0.000 2.245 328 Q HA 0.053 4.393 4.340 -0.000 0.000 0.201 328 Q C 0.688 176.669 176.000 -0.031 0.000 0.955 328 Q CA 0.754 56.517 55.803 -0.068 0.000 0.870 328 Q CB 0.560 29.273 28.738 -0.043 0.000 0.945 328 Q HN 0.775 nan 8.270 nan 0.000 0.461 329 Q N 0.156 119.948 119.800 -0.012 0.000 2.352 329 Q HA 0.401 4.741 4.340 -0.000 0.000 0.270 329 Q C -2.240 173.785 176.000 0.041 0.000 1.006 329 Q CA -0.521 55.294 55.803 0.020 0.000 0.880 329 Q CB 1.699 30.457 28.738 0.033 0.000 1.392 329 Q HN 0.114 nan 8.270 nan 0.000 0.401 330 L N 3.702 124.961 121.223 0.060 0.000 2.343 330 L HA 0.461 4.801 4.340 -0.000 0.000 0.278 330 L C -0.694 176.232 176.870 0.092 0.000 0.996 330 L CA 0.134 55.018 54.840 0.073 0.000 0.831 330 L CB 1.622 43.722 42.059 0.069 0.000 1.232 330 L HN 0.758 nan 8.230 nan 0.000 0.413 331 D N 3.249 123.669 120.400 0.032 0.000 2.355 331 D HA 0.128 4.768 4.640 -0.000 0.000 0.206 331 D C -0.915 175.206 176.300 -0.298 0.000 1.010 331 D CA 0.927 54.929 54.000 0.003 0.000 0.875 331 D CB 0.321 41.132 40.800 0.019 0.000 0.966 331 D HN 0.487 nan 8.370 nan 0.000 0.512 332 W N 0.289 121.129 121.300 -0.766 0.000 3.064 332 W HA 0.425 5.085 4.660 -0.000 0.000 0.328 332 W C -2.185 174.002 176.519 -0.553 0.000 1.210 332 W CA -1.352 55.187 57.345 -1.344 0.000 1.178 332 W CB 0.534 29.620 29.460 -0.623 0.000 1.416 332 W HN -0.229 nan 8.180 nan 0.000 0.568 333 F N 2.469 121.587 119.950 -1.385 0.000 2.719 333 F HA 0.774 5.301 4.527 -0.000 0.000 0.309 333 F C -1.167 173.933 175.800 -1.166 0.000 1.138 333 F CA -0.125 57.302 58.000 -0.954 0.000 0.943 333 F CB 1.679 40.479 39.000 -0.332 0.000 1.304 333 F HN 0.520 nan 8.300 nan 0.000 0.445 334 T N 1.426 115.067 114.554 -1.521 0.000 2.693 334 T HA 0.858 5.208 4.350 -0.000 0.000 0.304 334 T C -2.057 172.291 174.700 -0.586 0.000 1.471 334 T CA -0.034 61.362 62.100 -1.173 0.000 0.993 334 T CB 1.288 69.701 68.868 -0.758 0.000 1.554 334 T HN 1.702 nan 8.240 nan 0.000 0.496 335 A N 1.214 123.884 122.820 -0.250 0.000 2.572 335 A HA 0.912 5.232 4.320 -0.000 0.000 0.295 335 A C -1.918 175.744 177.584 0.130 0.000 1.072 335 A CA -0.711 51.286 52.037 -0.066 0.000 0.691 335 A CB 1.196 20.159 19.000 -0.062 0.000 1.291 335 A HN 1.274 nan 8.150 nan 0.000 0.404 336 Y N -1.063 119.248 120.300 0.019 0.000 2.638 336 Y HA 0.721 5.271 4.550 -0.000 0.000 0.335 336 Y C -0.658 175.278 175.900 0.059 0.000 1.155 336 Y CA -1.113 57.045 58.100 0.098 0.000 1.046 336 Y CB 0.865 39.384 38.460 0.098 0.000 1.303 336 Y HN 0.700 nan 8.280 nan 0.000 0.460 337 H N 2.001 121.217 119.070 0.244 0.000 2.483 337 H HA 0.424 4.980 4.556 -0.000 0.000 0.338 337 H C -0.510 174.973 175.328 0.258 0.000 1.152 337 H CA -0.811 55.347 56.048 0.184 0.000 1.264 337 H CB 2.173 32.023 29.762 0.147 0.000 1.510 337 H HN 0.434 nan 8.280 nan 0.000 0.530 338 I N 2.370 123.136 120.570 0.326 0.000 2.379 338 I HA 0.212 4.382 4.170 -0.000 0.000 0.290 338 I C 0.917 177.142 176.117 0.181 0.000 1.063 338 I CA 0.566 62.004 61.300 0.231 0.000 1.351 338 I CB 0.416 38.556 38.000 0.235 0.000 1.410 338 I HN 0.715 nan 8.210 nan 0.000 0.505 339 G N 5.774 114.650 108.800 0.127 0.000 2.623 339 G HA2 0.624 4.584 3.960 -0.000 0.000 0.290 339 G HA3 0.624 4.584 3.960 -0.000 0.000 0.290 339 G C -1.708 173.245 174.900 0.088 0.000 1.437 339 G CA -0.447 44.710 45.100 0.095 0.000 0.798 339 G HN 0.396 nan 8.290 nan 0.000 0.488 340 Q N -0.334 119.529 119.800 0.105 0.000 2.347 340 Q HA 0.744 5.084 4.340 -0.000 0.000 0.271 340 Q C -0.447 175.628 176.000 0.125 0.000 1.064 340 Q CA -0.522 55.362 55.803 0.136 0.000 0.800 340 Q CB 2.938 31.778 28.738 0.170 0.000 1.304 340 Q HN 0.513 nan 8.270 nan 0.000 0.438 341 R N 0.665 121.242 120.500 0.129 0.000 2.626 341 R HA 0.851 5.191 4.340 -0.000 0.000 0.274 341 R C -1.704 174.686 176.300 0.150 0.000 1.031 341 R CA -0.952 55.216 56.100 0.114 0.000 0.898 341 R CB 2.535 32.881 30.300 0.077 0.000 1.222 341 R HN 0.416 nan 8.270 nan 0.000 0.455 342 V N 1.258 121.259 119.914 0.144 0.000 3.048 342 V HA 0.494 4.614 4.120 -0.000 0.000 0.303 342 V C -0.659 175.537 176.094 0.170 0.000 1.214 342 V CA -0.419 61.996 62.300 0.193 0.000 0.984 342 V CB 2.565 34.517 31.823 0.214 0.000 1.054 342 V HN 0.951 nan 8.190 nan 0.000 0.430 343 T N 1.749 116.435 114.554 0.221 0.000 2.899 343 T HA 0.481 4.831 4.350 -0.000 0.000 0.284 343 T C 0.559 175.363 174.700 0.173 0.000 1.004 343 T CA -0.447 61.765 62.100 0.186 0.000 1.043 343 T CB 1.570 70.561 68.868 0.206 0.000 1.013 343 T HN 0.687 nan 8.240 nan 0.000 0.518 344 E N 0.462 120.685 120.200 0.038 0.000 2.158 344 E HA 0.080 4.430 4.350 -0.000 0.000 0.191 344 E C 0.285 176.821 176.600 -0.106 0.000 0.982 344 E CA 0.906 57.281 56.400 -0.042 0.000 0.823 344 E CB 0.199 29.852 29.700 -0.079 0.000 0.766 344 E HN 0.509 nan 8.360 nan 0.000 0.468 345 K N 0.118 120.399 120.400 -0.199 0.000 2.207 345 K HA 0.266 4.586 4.320 -0.000 0.000 0.255 345 K C 0.004 176.679 176.600 0.126 0.000 0.941 345 K CA -0.587 55.507 56.287 -0.321 0.000 0.825 345 K CB 1.154 33.008 32.500 -1.077 0.000 1.119 345 K HN -0.118 nan 8.250 nan 0.000 0.430 346 F N -0.276 119.634 119.950 -0.068 0.000 2.706 346 F HA 0.147 4.674 4.527 -0.000 0.000 0.313 346 F C 0.752 176.767 175.800 0.358 0.000 1.096 346 F CA -0.464 57.647 58.000 0.185 0.000 1.219 346 F CB 0.583 39.645 39.000 0.103 0.000 1.051 346 F HN 0.409 nan 8.300 nan 0.000 0.568 347 S N 0.350 116.292 115.700 0.403 0.000 2.535 347 S HA 0.569 5.039 4.470 -0.000 0.000 0.272 347 S C -1.503 173.207 174.600 0.183 0.000 1.149 347 S CA -0.699 57.617 58.200 0.195 0.000 0.888 347 S CB 1.946 65.198 63.200 0.086 0.000 1.110 347 S HN -0.005 nan 8.310 nan 0.000 0.463 348 K N 2.388 122.824 120.400 0.058 0.000 2.339 348 K HA 0.546 4.866 4.320 -0.000 0.000 0.264 348 K C -0.503 176.046 176.600 -0.085 0.000 0.986 348 K CA -0.044 56.286 56.287 0.072 0.000 0.866 348 K CB 0.387 32.917 32.500 0.050 0.000 1.103 348 K HN 0.627 nan 8.250 nan 0.000 0.441 349 D N 3.341 123.713 120.400 -0.048 0.000 3.077 349 D HA -0.191 4.449 4.640 -0.000 0.000 0.217 349 D C -0.637 175.614 176.300 -0.082 0.000 1.162 349 D CA 1.424 55.389 54.000 -0.058 0.000 0.943 349 D CB -0.871 39.892 40.800 -0.063 0.000 1.122 349 D HN 0.833 nan 8.370 nan 0.000 0.413 350 E N -1.822 118.280 120.200 -0.164 0.000 2.403 350 E HA -0.287 4.063 4.350 -0.000 0.000 0.241 350 E C 1.252 177.758 176.600 -0.158 0.000 1.201 350 E CA 1.067 57.351 56.400 -0.193 0.000 0.721 350 E CB -0.449 29.360 29.700 0.182 0.000 1.245 350 E HN 0.392 nan 8.360 nan 0.000 0.392 351 R N -1.405 118.882 120.500 -0.354 0.000 2.320 351 R HA 0.253 4.593 4.340 -0.000 0.000 0.193 351 R C 0.111 176.312 176.300 -0.163 0.000 0.885 351 R CA 0.595 56.594 56.100 -0.168 0.000 1.085 351 R CB 0.814 30.996 30.300 -0.197 0.000 1.253 351 R HN 0.042 nan 8.270 nan 0.000 0.636 352 V N 2.734 122.466 119.914 -0.303 0.000 2.384 352 V HA 0.419 4.539 4.120 -0.000 0.000 0.287 352 V C -0.699 175.218 176.094 -0.296 0.000 1.020 352 V CA -0.562 61.641 62.300 -0.162 0.000 0.850 352 V CB 1.298 33.067 31.823 -0.089 0.000 0.987 352 V HN -0.077 nan 8.190 nan 0.000 0.436 353 F N 4.777 124.798 119.950 0.120 0.000 2.523 353 F HA 0.750 5.277 4.527 -0.000 0.000 0.329 353 F C 0.269 176.139 175.800 0.117 0.000 1.061 353 F CA -0.903 57.189 58.000 0.153 0.000 0.967 353 F CB 1.773 40.792 39.000 0.033 0.000 1.218 353 F HN 0.407 nan 8.300 nan 0.000 0.480 354 I N 0.240 121.019 120.570 0.349 0.000 2.740 354 I HA 1.002 5.172 4.170 -0.000 0.000 0.303 354 I C -0.961 175.201 176.117 0.075 0.000 1.044 354 I CA -0.936 60.448 61.300 0.139 0.000 1.064 354 I CB 2.021 40.051 38.000 0.049 0.000 1.249 354 I HN 0.626 nan 8.210 nan 0.000 0.433 355 A N 2.816 125.626 122.820 -0.016 0.000 2.594 355 A HA 0.933 5.253 4.320 -0.000 0.000 0.291 355 A C 0.086 177.603 177.584 -0.112 0.000 1.105 355 A CA -0.137 51.896 52.037 -0.007 0.000 0.694 355 A CB 0.856 19.920 19.000 0.105 0.000 1.291 355 A HN 2.038 nan 8.150 nan 0.000 0.410 356 G N 0.705 109.444 108.800 -0.101 0.000 2.528 356 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.262 356 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.262 356 G C 0.391 174.987 174.900 -0.506 0.000 1.200 356 G CA 0.919 45.940 45.100 -0.132 0.000 0.951 356 G HN 0.879 nan 8.290 nan 0.000 0.566 357 D N 0.793 121.067 120.400 -0.210 0.000 2.221 357 D HA 0.131 4.771 4.640 -0.000 0.000 0.204 357 D C 2.707 178.866 176.300 -0.234 0.000 0.982 357 D CA 2.006 55.889 54.000 -0.196 0.000 0.857 357 D CB -0.672 40.069 40.800 -0.099 0.000 0.934 357 D HN 0.894 nan 8.370 nan 0.000 0.475 358 A N -0.474 122.220 122.820 -0.210 0.000 2.076 358 A HA -0.185 4.135 4.320 -0.000 0.000 0.220 358 A C 2.253 179.715 177.584 -0.203 0.000 1.160 358 A CA 1.192 53.136 52.037 -0.155 0.000 0.653 358 A CB -0.447 18.495 19.000 -0.097 0.000 0.801 358 A HN 0.381 nan 8.150 nan 0.000 0.455 359 C N -2.034 117.026 119.300 -0.400 0.000 2.820 359 C HA 0.347 4.807 4.460 -0.000 0.000 0.323 359 C C 0.260 175.166 174.990 -0.140 0.000 1.279 359 C CA 0.449 59.219 59.018 -0.413 0.000 1.790 359 C CB -0.821 26.395 27.740 -0.873 0.000 2.328 359 C HN 0.841 nan 8.230 nan 0.000 0.579 360 H N -0.988 118.116 119.070 0.057 0.000 3.042 360 H HA 0.550 5.106 4.556 -0.000 0.000 0.345 360 H C -0.689 174.712 175.328 0.121 0.000 1.052 360 H CA -0.573 55.565 56.048 0.151 0.000 1.311 360 H CB 0.151 30.064 29.762 0.253 0.000 1.810 360 H HN 0.067 nan 8.280 nan 0.000 0.505 361 T N 0.272 114.943 114.554 0.196 0.000 2.907 361 T HA 0.802 5.152 4.350 -0.000 0.000 0.292 361 T C -0.760 173.963 174.700 0.039 0.000 1.043 361 T CA -0.759 61.330 62.100 -0.020 0.000 1.003 361 T CB 2.234 71.047 68.868 -0.093 0.000 1.084 361 T HN 1.109 nan 8.240 nan 0.000 0.483 362 H N -1.555 117.545 119.070 0.049 0.000 2.876 362 H HA 0.662 5.218 4.556 -0.000 0.000 0.284 362 H C -0.456 174.841 175.328 -0.051 0.000 1.445 362 H CA -0.736 55.322 56.048 0.016 0.000 1.141 362 H CB 0.156 29.937 29.762 0.031 0.000 1.816 362 H HN 0.822 nan 8.280 nan 0.000 0.511 363 S N 0.385 116.122 115.700 0.062 0.000 2.593 363 S HA 0.252 4.722 4.470 -0.000 0.000 0.269 363 S C -1.758 172.782 174.600 -0.101 0.000 1.334 363 S CA -0.614 57.514 58.200 -0.120 0.000 1.015 363 S CB 0.691 63.773 63.200 -0.197 0.000 0.912 363 S HN 0.743 nan 8.310 nan 0.000 0.541 364 P HA 0.226 nan 4.420 nan 0.000 0.261 364 P C 0.506 177.527 177.300 -0.464 0.000 1.352 364 P CA -0.188 62.713 63.100 -0.332 0.000 0.891 364 P CB 0.157 31.605 31.700 -0.420 0.000 1.383 365 K N 0.802 120.925 120.400 -0.461 0.000 2.211 365 K HA -0.032 4.288 4.320 -0.000 0.000 0.204 365 K C 1.574 178.181 176.600 0.011 0.000 1.047 365 K CA 1.215 57.232 56.287 -0.450 0.000 0.935 365 K CB -0.637 31.564 32.500 -0.498 0.000 0.728 365 K HN 0.176 nan 8.250 nan 0.000 0.452 366 A N -0.261 122.625 122.820 0.109 0.000 2.564 366 A HA 0.403 4.723 4.320 -0.000 0.000 0.279 366 A C 0.806 178.487 177.584 0.162 0.000 1.232 366 A CA 0.319 52.491 52.037 0.225 0.000 0.950 366 A CB 0.030 19.252 19.000 0.370 0.000 1.138 366 A HN 0.209 nan 8.150 nan 0.000 0.526 367 G N 0.287 109.137 108.800 0.084 0.000 2.412 367 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.297 367 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.297 367 G C 0.585 175.570 174.900 0.142 0.000 0.965 367 G CA 0.648 45.810 45.100 0.103 0.000 1.134 367 G HN 0.471 nan 8.290 nan 0.000 0.511 368 Q N -0.767 119.147 119.800 0.190 0.000 2.408 368 Q HA 0.098 4.438 4.340 -0.000 0.000 0.205 368 Q C 2.542 178.701 176.000 0.265 0.000 0.919 368 Q CA 0.951 56.863 55.803 0.182 0.000 0.932 368 Q CB 0.189 28.964 28.738 0.061 0.000 1.058 368 Q HN 0.593 nan 8.270 nan 0.000 0.517 369 G N 1.467 110.481 108.800 0.356 0.000 2.464 369 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.214 369 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.214 369 G C 1.469 176.503 174.900 0.223 0.000 1.218 369 G CA 0.837 46.138 45.100 0.334 0.000 0.794 369 G HN 0.318 nan 8.290 nan 0.000 0.542 370 M N 0.600 120.282 119.600 0.137 0.000 2.108 370 M HA -0.096 4.384 4.480 -0.000 0.000 0.261 370 M C 2.350 178.706 176.300 0.095 0.000 1.066 370 M CA 1.663 57.020 55.300 0.094 0.000 1.107 370 M CB -0.328 32.300 32.600 0.047 0.000 1.356 370 M HN 0.130 nan 8.290 nan 0.000 0.406 371 N N 0.019 118.773 118.700 0.090 0.000 2.018 371 N HA -0.161 4.579 4.740 -0.000 0.000 0.196 371 N C 1.634 177.198 175.510 0.090 0.000 1.043 371 N CA 2.371 55.457 53.050 0.060 0.000 0.856 371 N CB -0.875 37.642 38.487 0.051 0.000 1.042 371 N HN 0.453 nan 8.380 nan 0.000 0.423 372 T N 0.757 115.407 114.554 0.160 0.000 2.821 372 T HA -0.016 4.334 4.350 -0.000 0.000 0.267 372 T C 2.189 177.050 174.700 0.269 0.000 1.046 372 T CA 1.043 63.265 62.100 0.204 0.000 1.139 372 T CB -0.162 68.833 68.868 0.211 0.000 0.871 372 T HN 0.198 nan 8.240 nan 0.000 0.454 373 S N 1.220 117.099 115.700 0.299 0.000 2.368 373 S HA 0.068 4.538 4.470 -0.000 0.000 0.224 373 S C 2.105 176.816 174.600 0.184 0.000 1.029 373 S CA 0.929 59.295 58.200 0.277 0.000 0.988 373 S CB -0.293 63.033 63.200 0.210 0.000 0.838 373 S HN 0.416 nan 8.310 nan 0.000 0.462 374 M N 0.446 120.124 119.600 0.130 0.000 2.175 374 M HA -0.006 4.474 4.480 -0.000 0.000 0.264 374 M C 1.885 178.262 176.300 0.129 0.000 1.063 374 M CA 1.037 56.395 55.300 0.097 0.000 1.119 374 M CB -0.415 32.206 32.600 0.035 0.000 1.377 374 M HN 0.271 nan 8.290 nan 0.000 0.415 375 M N 0.079 119.747 119.600 0.113 0.000 2.296 375 M HA -0.147 4.333 4.480 -0.000 0.000 0.265 375 M C 1.301 177.746 176.300 0.242 0.000 1.064 375 M CA 1.409 56.791 55.300 0.137 0.000 1.109 375 M CB -1.285 31.326 32.600 0.019 0.000 1.396 375 M HN 0.160 nan 8.290 nan 0.000 0.430 376 D N 0.336 120.897 120.400 0.269 0.000 2.097 376 D HA -0.111 4.529 4.640 -0.000 0.000 0.195 376 D C 2.018 178.500 176.300 0.304 0.000 0.989 376 D CA 2.213 56.443 54.000 0.384 0.000 0.827 376 D CB -0.381 40.684 40.800 0.441 0.000 0.966 376 D HN 0.431 nan 8.370 nan 0.000 0.456 377 T N -2.014 112.652 114.554 0.186 0.000 3.023 377 T HA -0.131 4.219 4.350 -0.000 0.000 0.266 377 T C 1.987 176.756 174.700 0.115 0.000 1.093 377 T CA 0.317 62.455 62.100 0.063 0.000 1.129 377 T CB -0.546 68.341 68.868 0.032 0.000 0.899 377 T HN 0.083 nan 8.240 nan 0.000 0.491 378 Y N 2.778 123.124 120.300 0.076 0.000 2.224 378 Y HA -0.060 4.489 4.550 -0.000 0.000 0.289 378 Y C 2.454 178.473 175.900 0.199 0.000 1.146 378 Y CA 1.235 59.410 58.100 0.124 0.000 1.182 378 Y CB -0.451 38.086 38.460 0.128 0.000 0.983 378 Y HN 0.235 nan 8.280 nan 0.000 0.524 379 N N 0.284 119.137 118.700 0.255 0.000 2.109 379 N HA -0.165 4.575 4.740 -0.000 0.000 0.188 379 N C 1.933 177.314 175.510 -0.216 0.000 1.034 379 N CA 1.510 54.645 53.050 0.141 0.000 0.846 379 N CB -0.428 38.172 38.487 0.189 0.000 1.010 379 N HN 0.456 nan 8.380 nan 0.000 0.425 380 L N 1.310 122.367 121.223 -0.277 0.000 2.093 380 L HA 0.117 4.457 4.340 -0.000 0.000 0.208 380 L C 2.252 178.747 176.870 -0.625 0.000 1.085 380 L CA 1.838 56.267 54.840 -0.685 0.000 0.755 380 L CB -1.166 40.238 42.059 -1.091 0.000 0.904 380 L HN 0.208 nan 8.230 nan 0.000 0.435 381 G N -0.063 108.515 108.800 -0.370 0.000 2.418 381 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.217 381 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.217 381 G C 1.402 176.143 174.900 -0.266 0.000 1.158 381 G CA 0.839 45.777 45.100 -0.270 0.000 0.771 381 G HN 0.719 nan 8.290 nan 0.000 0.545 382 W N 1.240 122.379 121.300 -0.269 0.000 2.436 382 W HA 0.165 4.825 4.660 -0.000 0.000 0.284 382 W C 1.784 178.100 176.519 -0.338 0.000 1.225 382 W CA 0.809 58.012 57.345 -0.237 0.000 1.271 382 W CB -0.445 28.910 29.460 -0.174 0.000 1.114 382 W HN 0.193 nan 8.180 nan 0.000 0.559 383 K N 0.757 120.567 120.400 -0.984 0.000 2.025 383 K HA -0.160 4.160 4.320 -0.000 0.000 0.207 383 K C 2.179 178.401 176.600 -0.630 0.000 1.049 383 K CA 1.506 57.201 56.287 -0.986 0.000 0.933 383 K CB -0.599 31.224 32.500 -1.128 0.000 0.714 383 K HN -0.017 nan 8.250 nan 0.000 0.438 384 L N 1.087 121.909 121.223 -0.669 0.000 2.083 384 L HA -0.054 4.285 4.340 -0.000 0.000 0.209 384 L C 2.121 178.633 176.870 -0.597 0.000 1.083 384 L CA 1.853 56.307 54.840 -0.642 0.000 0.752 384 L CB -0.985 40.668 42.059 -0.677 0.000 0.899 384 L HN 0.237 nan 8.230 nan 0.000 0.433 385 G N -0.599 107.731 108.800 -0.784 0.000 2.421 385 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.216 385 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.216 385 G C 1.599 175.990 174.900 -0.848 0.000 1.171 385 G CA 1.047 45.359 45.100 -1.314 0.000 0.775 385 G HN 0.423 nan 8.290 nan 0.000 0.543 386 L N 0.190 121.113 121.223 -0.501 0.000 2.093 386 L HA -0.066 4.274 4.340 -0.000 0.000 0.208 386 L C 2.977 179.788 176.870 -0.099 0.000 1.085 386 L CA 0.313 55.095 54.840 -0.096 0.000 0.755 386 L CB -0.447 41.678 42.059 0.109 0.000 0.904 386 L HN 0.093 nan 8.230 nan 0.000 0.435 387 V N 0.183 119.984 119.914 -0.188 0.000 2.307 387 V HA -0.275 3.845 4.120 -0.000 0.000 0.245 387 V C 2.369 178.409 176.094 -0.090 0.000 1.045 387 V CA 1.616 63.837 62.300 -0.131 0.000 1.024 387 V CB -0.317 31.394 31.823 -0.186 0.000 0.651 387 V HN 0.342 nan 8.190 nan 0.000 0.449 388 L N 0.593 121.728 121.223 -0.147 0.000 2.191 388 L HA -0.125 4.215 4.340 -0.000 0.000 0.212 388 L C 2.343 179.211 176.870 -0.003 0.000 1.103 388 L CA 1.861 56.664 54.840 -0.060 0.000 0.769 388 L CB -0.774 41.233 42.059 -0.086 0.000 0.908 388 L HN 0.563 nan 8.230 nan 0.000 0.438 389 T N -3.671 110.885 114.554 0.004 0.000 3.144 389 T HA 0.250 4.600 4.350 -0.000 0.000 0.249 389 T C 1.377 176.111 174.700 0.058 0.000 1.089 389 T CA 0.300 62.438 62.100 0.064 0.000 0.989 389 T CB 0.282 69.234 68.868 0.139 0.000 0.992 389 T HN 0.436 nan 8.240 nan 0.000 0.540 390 G N 1.915 110.737 108.800 0.036 0.000 2.153 390 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.252 390 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.252 390 G C 0.861 175.794 174.900 0.054 0.000 0.994 390 G CA 0.385 45.510 45.100 0.040 0.000 0.698 390 G HN 0.570 nan 8.290 nan 0.000 0.521 391 R N -0.335 120.202 120.500 0.062 0.000 2.237 391 R HA 0.570 4.910 4.340 -0.000 0.000 0.195 391 R C 1.197 177.537 176.300 0.067 0.000 0.956 391 R CA 1.047 57.198 56.100 0.084 0.000 1.029 391 R CB 0.469 30.845 30.300 0.127 0.000 0.972 391 R HN 0.688 nan 8.270 nan 0.000 0.493 392 A N 0.723 123.569 122.820 0.043 0.000 2.515 392 A HA 0.476 4.796 4.320 -0.000 0.000 0.296 392 A C -1.145 176.439 177.584 0.001 0.000 1.094 392 A CA -0.833 51.219 52.037 0.025 0.000 0.718 392 A CB 1.296 20.328 19.000 0.053 0.000 1.307 392 A HN -0.001 nan 8.150 nan 0.000 0.408 393 K N 0.751 121.146 120.400 -0.008 0.000 2.326 393 K HA 0.191 4.511 4.320 -0.000 0.000 0.275 393 K C 0.890 177.480 176.600 -0.017 0.000 1.018 393 K CA -0.419 55.864 56.287 -0.007 0.000 0.962 393 K CB 1.034 33.527 32.500 -0.012 0.000 0.953 393 K HN 0.698 nan 8.250 nan 0.000 0.475 394 R N 1.526 122.028 120.500 0.003 0.000 2.127 394 R HA -0.183 4.157 4.340 -0.000 0.000 0.238 394 R C 0.809 177.115 176.300 0.011 0.000 1.134 394 R CA 1.554 57.665 56.100 0.018 0.000 0.975 394 R CB 0.026 30.361 30.300 0.058 0.000 0.865 394 R HN 0.632 nan 8.270 nan 0.000 0.447 395 D N 0.514 120.916 120.400 0.002 0.000 2.271 395 D HA -0.185 4.455 4.640 -0.000 0.000 0.207 395 D C 1.674 177.960 176.300 -0.024 0.000 0.983 395 D CA 1.213 55.212 54.000 -0.002 0.000 0.878 395 D CB -0.219 40.576 40.800 -0.007 0.000 0.920 395 D HN 0.518 nan 8.370 nan 0.000 0.479 396 I N -2.301 118.236 120.570 -0.056 0.000 2.756 396 I HA -0.149 4.021 4.170 -0.000 0.000 0.262 396 I C 1.874 177.906 176.117 -0.141 0.000 1.225 396 I CA 0.782 62.019 61.300 -0.104 0.000 1.472 396 I CB -0.364 37.552 38.000 -0.140 0.000 1.094 396 I HN -0.096 nan 8.210 nan 0.000 0.454 397 L N 1.037 122.208 121.223 -0.087 0.000 2.201 397 L HA -0.096 4.244 4.340 -0.000 0.000 0.212 397 L C 2.539 179.461 176.870 0.088 0.000 1.105 397 L CA 1.232 56.047 54.840 -0.042 0.000 0.775 397 L CB -0.618 41.508 42.059 0.110 0.000 0.913 397 L HN 0.236 nan 8.230 nan 0.000 0.440 398 K N -0.155 120.284 120.400 0.066 0.000 2.211 398 K HA -0.158 4.162 4.320 -0.000 0.000 0.204 398 K C 2.023 178.633 176.600 0.017 0.000 1.047 398 K CA 1.805 58.133 56.287 0.068 0.000 0.935 398 K CB -0.327 32.190 32.500 0.027 0.000 0.728 398 K HN 0.474 nan 8.250 nan 0.000 0.452 399 T N -1.746 112.784 114.554 -0.040 0.000 3.072 399 T HA -0.152 4.198 4.350 -0.000 0.000 0.266 399 T C 1.693 176.318 174.700 -0.126 0.000 1.127 399 T CA 0.429 62.468 62.100 -0.101 0.000 1.107 399 T CB -0.305 68.486 68.868 -0.129 0.000 0.910 399 T HN 0.259 nan 8.240 nan 0.000 0.513 400 Y N 2.271 122.463 120.300 -0.180 0.000 2.109 400 Y HA -0.024 4.526 4.550 -0.000 0.000 0.285 400 Y C 2.451 178.305 175.900 -0.077 0.000 1.131 400 Y CA 1.760 59.761 58.100 -0.165 0.000 1.121 400 Y CB -0.600 37.761 38.460 -0.164 0.000 0.987 400 Y HN 0.327 nan 8.280 nan 0.000 0.495 401 E N 0.058 120.129 120.200 -0.215 0.000 2.077 401 E HA -0.252 4.098 4.350 -0.000 0.000 0.193 401 E C 1.985 178.341 176.600 -0.406 0.000 0.989 401 E CA 1.615 57.767 56.400 -0.414 0.000 0.800 401 E CB -0.175 29.442 29.700 -0.138 0.000 0.746 401 E HN 0.708 nan 8.360 nan 0.000 0.452 402 E N 0.070 120.126 120.200 -0.240 0.000 2.160 402 E HA -0.206 4.144 4.350 -0.000 0.000 0.195 402 E C 1.977 178.453 176.600 -0.207 0.000 0.991 402 E CA 1.379 57.664 56.400 -0.191 0.000 0.810 402 E CB 0.050 29.675 29.700 -0.124 0.000 0.742 402 E HN 0.384 nan 8.360 nan 0.000 0.466 403 E N -0.318 119.704 120.200 -0.298 0.000 2.102 403 E HA 0.011 4.361 4.350 -0.000 0.000 0.190 403 E C 2.061 178.565 176.600 -0.160 0.000 0.971 403 E CA 0.229 56.422 56.400 -0.343 0.000 0.821 403 E CB 0.296 29.451 29.700 -0.910 0.000 0.777 403 E HN 0.001 nan 8.360 nan 0.000 0.460 404 R N 0.620 120.941 120.500 -0.299 0.000 2.173 404 R HA 0.052 4.392 4.340 -0.000 0.000 0.208 404 R C 2.118 178.283 176.300 -0.226 0.000 1.035 404 R CA 0.502 56.527 56.100 -0.125 0.000 1.004 404 R CB -0.228 30.011 30.300 -0.102 0.000 0.917 404 R HN 0.173 nan 8.270 nan 0.000 0.462 405 Q N 1.000 120.329 119.800 -0.784 0.000 2.083 405 Q HA -0.028 4.312 4.340 -0.000 0.000 0.198 405 Q C -0.969 174.881 176.000 -0.249 0.000 0.969 405 Q CA 1.268 56.515 55.803 -0.928 0.000 0.838 405 Q CB -0.754 27.278 28.738 -1.177 0.000 0.900 405 Q HN 0.127 nan 8.270 nan 0.000 0.436 406 P HA -0.116 nan 4.420 nan 0.000 0.218 406 P C 1.065 178.410 177.300 0.074 0.000 1.149 406 P CA 0.885 63.974 63.100 -0.020 0.000 0.817 406 P CB -0.346 31.359 31.700 0.008 0.000 0.785 407 F N 0.911 120.877 119.950 0.028 0.000 2.134 407 F HA -0.136 4.391 4.527 -0.000 0.000 0.299 407 F C 2.167 178.038 175.800 0.118 0.000 1.097 407 F CA 1.459 59.518 58.000 0.098 0.000 1.264 407 F CB -0.871 38.188 39.000 0.099 0.000 1.001 407 F HN -0.142 nan 8.300 nan 0.000 0.479 408 A N -0.185 122.710 122.820 0.125 0.000 1.908 408 A HA -0.275 4.045 4.320 -0.000 0.000 0.218 408 A C 2.103 179.687 177.584 -0.000 0.000 1.181 408 A CA 1.852 53.937 52.037 0.079 0.000 0.627 408 A CB -1.042 18.249 19.000 0.485 0.000 0.818 408 A HN 0.514 nan 8.150 nan 0.000 0.445 409 Q N -0.105 119.702 119.800 0.011 0.000 2.096 409 Q HA -0.072 4.268 4.340 -0.000 0.000 0.204 409 Q C 2.029 177.976 176.000 -0.089 0.000 0.982 409 Q CA 2.263 58.056 55.803 -0.017 0.000 0.850 409 Q CB -0.619 28.107 28.738 -0.020 0.000 0.901 409 Q HN 0.570 nan 8.270 nan 0.000 0.422 410 A N -0.016 122.717 122.820 -0.145 0.000 1.930 410 A HA -0.115 4.205 4.320 -0.000 0.000 0.217 410 A C 1.980 179.337 177.584 -0.379 0.000 1.175 410 A CA 1.402 53.304 52.037 -0.225 0.000 0.627 410 A CB -0.797 18.124 19.000 -0.131 0.000 0.815 410 A HN 0.491 nan 8.150 nan 0.000 0.443 411 L N -0.644 120.389 121.223 -0.318 0.000 2.046 411 L HA -0.086 4.254 4.340 -0.000 0.000 0.208 411 L C 2.053 178.845 176.870 -0.131 0.000 1.077 411 L CA 1.796 56.517 54.840 -0.199 0.000 0.747 411 L CB -0.514 41.396 42.059 -0.248 0.000 0.896 411 L HN 0.253 nan 8.230 nan 0.000 0.432 412 I N 0.299 120.822 120.570 -0.078 0.000 2.226 412 I HA -0.237 3.933 4.170 -0.000 0.000 0.245 412 I C 2.061 178.175 176.117 -0.007 0.000 1.100 412 I CA 1.296 62.602 61.300 0.009 0.000 1.374 412 I CB -0.744 37.299 38.000 0.073 0.000 1.057 412 I HN 0.313 nan 8.210 nan 0.000 0.413 413 D N -0.324 120.037 120.400 -0.065 0.000 2.117 413 D HA -0.227 4.413 4.640 -0.000 0.000 0.197 413 D C 2.050 178.321 176.300 -0.047 0.000 0.987 413 D CA 1.154 55.112 54.000 -0.069 0.000 0.829 413 D CB -0.445 40.289 40.800 -0.110 0.000 0.961 413 D HN 0.303 nan 8.370 nan 0.000 0.460 414 F N 1.890 121.651 119.950 -0.314 0.000 2.102 414 F HA -0.182 4.345 4.527 -0.000 0.000 0.298 414 F C 1.900 177.629 175.800 -0.118 0.000 1.105 414 F CA 1.645 59.434 58.000 -0.352 0.000 1.239 414 F CB -0.560 37.978 39.000 -0.769 0.000 0.991 414 F HN -0.168 nan 8.300 nan 0.000 0.474 415 D N -1.265 118.877 120.400 -0.431 0.000 2.144 415 D HA -0.229 4.411 4.640 -0.000 0.000 0.200 415 D C 2.177 178.388 176.300 -0.148 0.000 0.978 415 D CA 1.494 55.243 54.000 -0.417 0.000 0.833 415 D CB -0.336 40.353 40.800 -0.185 0.000 0.961 415 D HN 0.564 nan 8.370 nan 0.000 0.470 416 H N -0.128 118.871 119.070 -0.119 0.000 2.319 416 H HA -0.156 4.400 4.556 -0.000 0.000 0.297 416 H C 2.092 177.404 175.328 -0.026 0.000 1.097 416 H CA 2.297 58.322 56.048 -0.040 0.000 1.285 416 H CB 0.013 29.766 29.762 -0.016 0.000 1.368 416 H HN 0.160 nan 8.280 nan 0.000 0.495 417 Q N -0.990 118.898 119.800 0.147 0.000 2.049 417 Q HA -0.149 4.191 4.340 -0.000 0.000 0.198 417 Q C 2.038 178.087 176.000 0.081 0.000 0.971 417 Q CA 1.377 57.255 55.803 0.125 0.000 0.833 417 Q CB -0.209 28.605 28.738 0.127 0.000 0.896 417 Q HN 0.504 nan 8.270 nan 0.000 0.434 418 F N 1.506 121.329 119.950 -0.212 0.000 2.102 418 F HA -0.195 4.332 4.527 -0.000 0.000 0.298 418 F C 2.599 178.354 175.800 -0.075 0.000 1.105 418 F CA 1.821 59.693 58.000 -0.213 0.000 1.239 418 F CB -0.671 37.971 39.000 -0.595 0.000 0.991 418 F HN 0.225 nan 8.300 nan 0.000 0.474 419 S N 0.058 115.656 115.700 -0.171 0.000 2.382 419 S HA -0.199 4.271 4.470 -0.000 0.000 0.228 419 S C 2.144 176.653 174.600 -0.152 0.000 1.027 419 S CA 1.111 59.172 58.200 -0.231 0.000 0.991 419 S CB -0.665 62.417 63.200 -0.197 0.000 0.823 419 S HN 0.472 nan 8.310 nan 0.000 0.469 420 R N 0.704 121.153 120.500 -0.085 0.000 2.090 420 R HA 0.242 4.582 4.340 -0.000 0.000 0.228 420 R C 2.340 178.623 176.300 -0.029 0.000 1.110 420 R CA 1.172 57.255 56.100 -0.029 0.000 0.973 420 R CB -0.536 29.777 30.300 0.023 0.000 0.869 420 R HN 0.404 nan 8.270 nan 0.000 0.440 421 L N -0.669 120.556 121.223 0.003 0.000 2.093 421 L HA -0.153 4.186 4.340 -0.000 0.000 0.208 421 L C 2.097 178.933 176.870 -0.056 0.000 1.085 421 L CA 0.995 55.852 54.840 0.028 0.000 0.755 421 L CB -0.333 41.842 42.059 0.194 0.000 0.904 421 L HN 0.099 nan 8.230 nan 0.000 0.435 422 F N 0.227 120.020 119.950 -0.262 0.000 2.234 422 F HA -0.141 4.386 4.527 -0.000 0.000 0.299 422 F C 2.507 178.144 175.800 -0.272 0.000 1.087 422 F CA 1.150 58.923 58.000 -0.379 0.000 1.340 422 F CB -0.119 38.592 39.000 -0.481 0.000 1.031 422 F HN -0.060 nan 8.300 nan 0.000 0.500 423 S N -0.856 114.814 115.700 -0.050 0.000 2.548 423 S HA 0.207 4.677 4.470 -0.000 0.000 0.215 423 S C 1.138 175.475 174.600 -0.438 0.000 0.976 423 S CA 0.295 58.296 58.200 -0.332 0.000 0.908 423 S CB -0.370 62.255 63.200 -0.959 0.000 0.781 423 S HN 0.301 nan 8.310 nan 0.000 0.519 424 G N 1.227 109.920 108.800 -0.178 0.000 2.504 424 G HA2 0.446 4.406 3.960 -0.000 0.000 0.288 424 G HA3 0.446 4.406 3.960 -0.000 0.000 0.288 424 G C -0.401 174.511 174.900 0.021 0.000 1.182 424 G CA -0.731 44.345 45.100 -0.040 0.000 0.894 424 G HN 0.288 nan 8.290 nan 0.000 0.521 425 R N 1.455 121.974 120.500 0.030 0.000 2.389 425 R HA 0.242 4.582 4.340 -0.000 0.000 0.295 425 R C -2.139 174.168 176.300 0.011 0.000 1.075 425 R CA -1.305 54.813 56.100 0.030 0.000 1.005 425 R CB 0.775 31.087 30.300 0.021 0.000 0.987 425 R HN 0.253 nan 8.270 nan 0.000 0.452 426 P HA 0.024 nan 4.420 nan 0.000 0.271 426 P C -0.940 176.335 177.300 -0.042 0.000 1.216 426 P CA -0.102 62.947 63.100 -0.085 0.000 0.776 426 P CB 0.931 32.587 31.700 -0.075 0.000 0.881 427 A N 3.868 126.659 122.820 -0.049 0.000 2.520 427 A HA 0.003 4.323 4.320 -0.000 0.000 0.245 427 A C 1.335 178.913 177.584 -0.009 0.000 1.072 427 A CA 0.253 52.278 52.037 -0.020 0.000 0.761 427 A CB -0.237 18.753 19.000 -0.017 0.000 1.004 427 A HN 0.518 nan 8.150 nan 0.000 0.499 428 K N 0.323 120.723 120.400 0.000 0.000 2.262 428 K HA 0.048 4.368 4.320 -0.000 0.000 0.200 428 K C -0.346 176.258 176.600 0.006 0.000 1.049 428 K CA 1.303 57.594 56.287 0.006 0.000 0.979 428 K CB 0.137 32.642 32.500 0.008 0.000 0.773 428 K HN 0.989 nan 8.250 nan 0.000 0.474 429 D N -2.897 117.505 120.400 0.005 0.000 2.713 429 D HA -0.066 4.574 4.640 -0.000 0.000 0.306 429 D C 0.194 176.497 176.300 0.005 0.000 1.299 429 D CA -0.715 53.288 54.000 0.005 0.000 0.823 429 D CB 0.762 41.565 40.800 0.006 0.000 1.353 429 D HN -0.252 nan 8.370 nan 0.000 0.447 430 V N -0.136 119.781 119.914 0.006 0.000 2.913 430 V HA 0.077 4.197 4.120 -0.000 0.000 0.260 430 V C 1.833 177.931 176.094 0.007 0.000 1.098 430 V CA 2.295 64.598 62.300 0.006 0.000 1.121 430 V CB -0.756 31.071 31.823 0.006 0.000 0.714 430 V HN 0.721 nan 8.190 nan 0.000 0.487 431 A N -0.817 122.007 122.820 0.007 0.000 2.218 431 A HA 0.051 4.370 4.320 -0.000 0.000 0.209 431 A C 1.288 178.876 177.584 0.008 0.000 1.168 431 A CA 0.604 52.645 52.037 0.007 0.000 0.804 431 A CB -0.255 18.749 19.000 0.006 0.000 0.834 431 A HN 0.530 nan 8.150 nan 0.000 0.482 432 D N 1.363 121.767 120.400 0.007 0.000 2.600 432 D HA -0.002 4.638 4.640 -0.000 0.000 0.226 432 D C 1.430 177.736 176.300 0.010 0.000 1.119 432 D CA 0.122 54.127 54.000 0.008 0.000 1.051 432 D CB 0.136 40.939 40.800 0.006 0.000 1.106 432 D HN 0.573 nan 8.370 nan 0.000 0.491 433 E N 2.222 122.429 120.200 0.012 0.000 2.268 433 E HA -0.192 4.158 4.350 -0.000 0.000 0.195 433 E C 1.049 177.660 176.600 0.018 0.000 0.995 433 E CA 0.554 56.963 56.400 0.015 0.000 0.836 433 E CB -0.130 29.579 29.700 0.015 0.000 0.763 433 E HN 0.378 nan 8.360 nan 0.000 0.491 434 M N 1.235 120.846 119.600 0.019 0.000 2.506 434 M HA 0.155 4.635 4.480 -0.000 0.000 0.260 434 M C 1.223 177.538 176.300 0.025 0.000 1.104 434 M CA 0.645 55.960 55.300 0.026 0.000 1.112 434 M CB -0.716 31.900 32.600 0.027 0.000 1.401 434 M HN 0.035 nan 8.290 nan 0.000 0.473 435 G N 0.573 109.382 108.800 0.015 0.000 2.527 435 G HA2 0.353 4.313 3.960 -0.000 0.000 0.248 435 G HA3 0.353 4.313 3.960 -0.000 0.000 0.248 435 G C -0.324 174.571 174.900 -0.007 0.000 1.231 435 G CA -0.499 44.603 45.100 0.004 0.000 0.838 435 G HN 0.084 nan 8.290 nan 0.000 0.570 436 V N 1.108 121.002 119.914 -0.034 0.000 2.530 436 V HA 0.241 4.361 4.120 -0.000 0.000 0.282 436 V C 1.020 177.064 176.094 -0.084 0.000 1.048 436 V CA -0.358 61.906 62.300 -0.061 0.000 0.997 436 V CB 1.322 33.075 31.823 -0.118 0.000 0.987 436 V HN 0.803 nan 8.190 nan 0.000 0.477 437 S N 5.852 121.532 115.700 -0.033 0.000 2.505 437 S HA 0.170 4.640 4.470 -0.000 0.000 0.276 437 S C 1.185 175.776 174.600 -0.016 0.000 1.274 437 S CA -0.674 57.515 58.200 -0.018 0.000 1.053 437 S CB 0.465 63.675 63.200 0.016 0.000 0.919 437 S HN 0.605 nan 8.310 nan 0.000 0.490 438 M N 3.255 122.835 119.600 -0.033 0.000 2.296 438 M HA -0.031 4.449 4.480 -0.000 0.000 0.265 438 M C 1.128 177.486 176.300 0.096 0.000 1.064 438 M CA 1.104 56.408 55.300 0.007 0.000 1.109 438 M CB -1.240 31.349 32.600 -0.018 0.000 1.396 438 M HN 0.630 nan 8.290 nan 0.000 0.430 439 D N 0.249 120.685 120.400 0.060 0.000 2.117 439 D HA -0.080 4.560 4.640 -0.000 0.000 0.198 439 D C 2.271 178.616 176.300 0.076 0.000 0.982 439 D CA 1.011 55.046 54.000 0.059 0.000 0.828 439 D CB -0.170 40.652 40.800 0.036 0.000 0.967 439 D HN 0.140 nan 8.370 nan 0.000 0.464 440 V N 1.035 120.999 119.914 0.083 0.000 2.343 440 V HA -0.223 3.897 4.120 -0.000 0.000 0.247 440 V C 2.162 178.348 176.094 0.154 0.000 1.051 440 V CA 1.166 63.525 62.300 0.098 0.000 1.036 440 V CB -0.528 31.347 31.823 0.088 0.000 0.654 440 V HN 0.079 nan 8.190 nan 0.000 0.451 441 F N 1.363 121.323 119.950 0.017 0.000 2.102 441 F HA -0.165 4.362 4.527 -0.000 0.000 0.298 441 F C 2.454 178.350 175.800 0.160 0.000 1.105 441 F CA 2.269 60.296 58.000 0.044 0.000 1.239 441 F CB -0.385 38.567 39.000 -0.081 0.000 0.991 441 F HN 0.016 nan 8.300 nan 0.000 0.474 442 K N 0.135 120.557 120.400 0.036 0.000 2.032 442 K HA -0.204 4.116 4.320 -0.000 0.000 0.209 442 K C 1.965 178.565 176.600 0.000 0.000 1.048 442 K CA 1.845 58.118 56.287 -0.024 0.000 0.927 442 K CB -0.227 32.292 32.500 0.032 0.000 0.712 442 K HN 0.203 nan 8.250 nan 0.000 0.441 443 E N 0.289 120.505 120.200 0.028 0.000 2.110 443 E HA -0.154 4.196 4.350 -0.000 0.000 0.193 443 E C 1.914 178.537 176.600 0.038 0.000 0.988 443 E CA 1.152 57.569 56.400 0.029 0.000 0.804 443 E CB -0.246 29.473 29.700 0.031 0.000 0.745 443 E HN 0.460 nan 8.360 nan 0.000 0.458 444 A N 0.556 123.411 122.820 0.057 0.000 1.969 444 A HA -0.137 4.183 4.320 -0.000 0.000 0.218 444 A C 1.993 179.591 177.584 0.024 0.000 1.169 444 A CA 0.788 52.873 52.037 0.080 0.000 0.635 444 A CB -0.568 18.542 19.000 0.184 0.000 0.810 444 A HN 0.161 nan 8.150 nan 0.000 0.445 445 F N 0.329 120.191 119.950 -0.148 0.000 2.113 445 F HA -0.097 4.430 4.527 -0.000 0.000 0.297 445 F C 2.432 178.130 175.800 -0.169 0.000 1.103 445 F CA 1.269 59.144 58.000 -0.207 0.000 1.248 445 F CB -0.490 38.347 39.000 -0.271 0.000 0.999 445 F HN 0.040 nan 8.300 nan 0.000 0.475 446 V N 0.378 120.361 119.914 0.116 0.000 2.295 446 V HA -0.323 3.797 4.120 -0.000 0.000 0.246 446 V C 2.490 178.584 176.094 0.000 0.000 1.049 446 V CA 2.282 64.597 62.300 0.025 0.000 1.024 446 V CB -0.710 31.107 31.823 -0.009 0.000 0.648 446 V HN 0.257 nan 8.190 nan 0.000 0.447 447 K N 0.244 120.639 120.400 -0.009 0.000 2.057 447 K HA -0.144 4.176 4.320 -0.000 0.000 0.207 447 K C 2.159 178.700 176.600 -0.099 0.000 1.049 447 K CA 1.668 57.932 56.287 -0.039 0.000 0.931 447 K CB -0.661 31.825 32.500 -0.025 0.000 0.714 447 K HN 0.473 nan 8.250 nan 0.000 0.440 448 G N 0.746 109.468 108.800 -0.130 0.000 2.442 448 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.219 448 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.219 448 G C 1.062 175.808 174.900 -0.256 0.000 1.141 448 G CA 1.213 46.110 45.100 -0.338 0.000 0.763 448 G HN 0.480 nan 8.290 nan 0.000 0.554 449 N N -0.062 118.602 118.700 -0.061 0.000 2.289 449 N HA -0.071 4.669 4.740 -0.000 0.000 0.184 449 N C 2.039 177.512 175.510 -0.062 0.000 1.016 449 N CA 0.876 53.917 53.050 -0.015 0.000 0.872 449 N CB -0.090 38.413 38.487 0.026 0.000 0.973 449 N HN 0.523 nan 8.380 nan 0.000 0.433 450 E N 0.635 120.791 120.200 -0.073 0.000 2.028 450 E HA -0.202 4.148 4.350 -0.000 0.000 0.191 450 E C 1.700 178.248 176.600 -0.086 0.000 0.988 450 E CA 0.803 57.162 56.400 -0.068 0.000 0.799 450 E CB -0.078 29.593 29.700 -0.049 0.000 0.755 450 E HN 0.307 nan 8.360 nan 0.000 0.447 451 F N 1.289 121.069 119.950 -0.283 0.000 2.095 451 F HA -0.153 4.374 4.527 -0.000 0.000 0.298 451 F C 2.119 177.762 175.800 -0.263 0.000 1.104 451 F CA 1.802 59.608 58.000 -0.324 0.000 1.232 451 F CB -0.496 38.133 39.000 -0.619 0.000 0.987 451 F HN 0.094 nan 8.300 nan 0.000 0.475 452 A N -0.155 122.543 122.820 -0.203 0.000 2.024 452 A HA -0.203 4.117 4.320 -0.000 0.000 0.220 452 A C 2.298 179.810 177.584 -0.121 0.000 1.164 452 A CA 1.856 53.818 52.037 -0.124 0.000 0.643 452 A CB -1.426 17.572 19.000 -0.004 0.000 0.806 452 A HN 0.561 nan 8.150 nan 0.000 0.451 453 S N -1.400 114.225 115.700 -0.124 0.000 2.442 453 S HA 0.189 4.659 4.470 -0.000 0.000 0.236 453 S C 1.711 176.232 174.600 -0.132 0.000 1.007 453 S CA 1.411 59.555 58.200 -0.094 0.000 0.965 453 S CB -0.807 62.345 63.200 -0.081 0.000 0.773 453 S HN 1.992 nan 8.310 nan 0.000 0.504 454 G N 0.681 109.349 108.800 -0.219 0.000 2.184 454 G HA2 -0.346 3.614 3.960 -0.000 0.000 0.264 454 G HA3 -0.346 3.614 3.960 -0.000 0.000 0.264 454 G C 0.878 175.653 174.900 -0.208 0.000 0.975 454 G CA 1.140 46.092 45.100 -0.246 0.000 0.642 454 G HN 1.252 nan 8.290 nan 0.000 0.536 455 T N -3.044 111.411 114.554 -0.165 0.000 3.081 455 T HA 0.595 4.945 4.350 -0.000 0.000 0.250 455 T C 1.980 176.607 174.700 -0.122 0.000 1.100 455 T CA 1.202 63.221 62.100 -0.135 0.000 1.038 455 T CB 0.504 69.307 68.868 -0.108 0.000 0.962 455 T HN 1.316 nan 8.240 nan 0.000 0.516 456 A N 0.896 123.642 122.820 -0.124 0.000 2.308 456 A HA 0.500 4.820 4.320 -0.000 0.000 0.217 456 A C 0.791 178.340 177.584 -0.058 0.000 1.216 456 A CA -0.549 51.442 52.037 -0.076 0.000 0.864 456 A CB -0.511 18.462 19.000 -0.045 0.000 0.902 456 A HN 0.607 nan 8.150 nan 0.000 0.499 457 I N 1.549 122.056 120.570 -0.105 0.000 2.775 457 I HA -0.060 4.110 4.170 -0.000 0.000 0.290 457 I C 0.186 176.206 176.117 -0.162 0.000 1.203 457 I CA 0.314 61.524 61.300 -0.150 0.000 1.433 457 I CB 0.254 38.035 38.000 -0.366 0.000 1.354 457 I HN 0.232 nan 8.210 nan 0.000 0.579 458 N N 6.617 125.240 118.700 -0.128 0.000 2.576 458 N HA 0.192 4.932 4.740 -0.000 0.000 0.269 458 N C -1.226 174.279 175.510 -0.008 0.000 1.058 458 N CA -0.509 52.502 53.050 -0.066 0.000 0.860 458 N CB 0.660 39.153 38.487 0.009 0.000 1.249 458 N HN 0.208 nan 8.380 nan 0.000 0.525 459 Y N 0.966 121.296 120.300 0.050 0.000 2.425 459 Y HA 0.128 4.678 4.550 -0.000 0.000 0.331 459 Y C 1.054 176.970 175.900 0.028 0.000 1.157 459 Y CA -0.061 58.044 58.100 0.009 0.000 1.372 459 Y CB 0.378 38.813 38.460 -0.041 0.000 1.253 459 Y HN 0.370 nan 8.280 nan 0.000 0.536 460 D N 1.447 121.963 120.400 0.193 0.000 2.368 460 D HA -0.016 4.624 4.640 -0.000 0.000 0.240 460 D C 0.116 176.476 176.300 0.100 0.000 1.169 460 D CA -0.271 53.794 54.000 0.110 0.000 0.906 460 D CB 0.448 41.288 40.800 0.067 0.000 1.187 460 D HN 0.585 nan 8.370 nan 0.000 0.435 461 E N 0.824 121.072 120.200 0.079 0.000 2.502 461 E HA -0.003 4.347 4.350 -0.000 0.000 0.261 461 E C -0.275 176.358 176.600 0.056 0.000 0.974 461 E CA 0.053 56.498 56.400 0.075 0.000 0.936 461 E CB 0.233 29.968 29.700 0.059 0.000 0.926 461 E HN 0.514 nan 8.360 nan 0.000 0.459 462 N N 2.406 121.144 118.700 0.063 0.000 3.378 462 N HA -0.019 4.721 4.740 -0.000 0.000 0.294 462 N C -0.178 175.359 175.510 0.046 0.000 1.544 462 N CA -0.706 52.365 53.050 0.035 0.000 0.872 462 N CB -0.205 38.285 38.487 0.005 0.000 1.670 462 N HN 0.400 nan 8.380 nan 0.000 0.551 463 L N -0.127 121.106 121.223 0.016 0.000 2.127 463 L HA 0.061 4.401 4.340 -0.000 0.000 0.211 463 L C 1.118 177.989 176.870 0.002 0.000 1.089 463 L CA 2.061 56.898 54.840 -0.005 0.000 0.757 463 L CB -0.353 41.688 42.059 -0.030 0.000 0.899 463 L HN 0.643 nan 8.230 nan 0.000 0.434 464 V N -4.950 115.017 119.914 0.088 0.000 3.376 464 V HA 0.372 4.492 4.120 -0.000 0.000 0.313 464 V C 0.030 176.362 176.094 0.398 0.000 1.393 464 V CA 0.176 62.611 62.300 0.227 0.000 1.125 464 V CB -0.376 31.655 31.823 0.346 0.000 1.037 464 V HN 0.320 nan 8.190 nan 0.000 0.440 465 T N 1.373 116.102 114.554 0.292 0.000 3.078 465 T HA 0.352 4.702 4.350 -0.000 0.000 0.328 465 T C -1.353 173.460 174.700 0.189 0.000 0.987 465 T CA -0.074 62.172 62.100 0.244 0.000 1.049 465 T CB 1.357 70.341 68.868 0.194 0.000 1.011 465 T HN 0.330 nan 8.240 nan 0.000 0.463 466 D N 2.374 122.874 120.400 0.167 0.000 2.473 466 D HA 0.325 4.965 4.640 -0.000 0.000 0.226 466 D C 0.839 177.172 176.300 0.055 0.000 1.089 466 D CA -0.505 53.569 54.000 0.123 0.000 0.883 466 D CB 0.926 41.834 40.800 0.180 0.000 1.029 466 D HN 0.330 nan 8.370 nan 0.000 0.517 467 K N 1.852 122.286 120.400 0.057 0.000 2.128 467 K HA 0.050 4.370 4.320 -0.000 0.000 0.202 467 K C 1.670 178.288 176.600 0.029 0.000 1.050 467 K CA 0.314 56.624 56.287 0.038 0.000 0.966 467 K CB 0.598 33.124 32.500 0.044 0.000 0.759 467 K HN 0.185 nan 8.250 nan 0.000 0.454 468 K N 0.846 121.267 120.400 0.034 0.000 2.103 468 K HA -0.065 4.255 4.320 -0.000 0.000 0.207 468 K C 1.847 178.461 176.600 0.023 0.000 1.048 468 K CA 1.492 57.795 56.287 0.027 0.000 0.930 468 K CB -0.008 32.510 32.500 0.029 0.000 0.716 468 K HN -0.027 nan 8.250 nan 0.000 0.444 469 S N 0.498 116.215 115.700 0.028 0.000 2.558 469 S HA 0.065 4.535 4.470 -0.000 0.000 0.217 469 S C 0.476 175.080 174.600 0.008 0.000 0.975 469 S CA -0.117 58.097 58.200 0.023 0.000 0.912 469 S CB 0.353 63.575 63.200 0.036 0.000 0.776 469 S HN 0.088 nan 8.310 nan 0.000 0.526 470 S N 1.785 117.486 115.700 0.002 0.000 2.610 470 S HA 0.316 4.786 4.470 -0.000 0.000 0.273 470 S C 0.106 174.702 174.600 -0.008 0.000 1.274 470 S CA -0.491 57.702 58.200 -0.011 0.000 1.023 470 S CB 0.831 64.022 63.200 -0.015 0.000 0.962 470 S HN 0.218 nan 8.310 nan 0.000 0.523 471 K N 2.326 122.717 120.400 -0.015 0.000 2.360 471 K HA 0.158 4.478 4.320 -0.000 0.000 0.235 471 K C 0.514 177.101 176.600 -0.021 0.000 1.077 471 K CA -0.280 55.998 56.287 -0.014 0.000 1.035 471 K CB 0.736 33.227 32.500 -0.015 0.000 1.623 471 K HN 0.421 nan 8.250 nan 0.000 0.462 472 Q N 2.242 122.032 119.800 -0.017 0.000 2.170 472 Q HA -0.212 4.128 4.340 -0.000 0.000 0.203 472 Q C 1.762 177.744 176.000 -0.030 0.000 0.976 472 Q CA 1.728 57.519 55.803 -0.021 0.000 0.858 472 Q CB 0.193 28.925 28.738 -0.011 0.000 0.907 472 Q HN 0.548 nan 8.270 nan 0.000 0.433 473 E N -0.036 120.149 120.200 -0.026 0.000 2.401 473 E HA -0.179 4.171 4.350 -0.000 0.000 0.199 473 E C 1.461 178.036 176.600 -0.041 0.000 1.023 473 E CA 0.831 57.214 56.400 -0.028 0.000 0.859 473 E CB -0.368 29.321 29.700 -0.019 0.000 0.780 473 E HN 0.512 nan 8.360 nan 0.000 0.523 474 L N 0.237 121.431 121.223 -0.049 0.000 2.395 474 L HA 0.139 4.479 4.340 -0.000 0.000 0.218 474 L C 1.225 178.021 176.870 -0.124 0.000 1.130 474 L CA 0.755 55.555 54.840 -0.068 0.000 0.826 474 L CB 0.024 42.048 42.059 -0.058 0.000 0.941 474 L HN 0.106 nan 8.230 nan 0.000 0.451 475 A N -0.565 122.182 122.820 -0.122 0.000 3.156 475 A HA 0.294 4.614 4.320 -0.000 0.000 0.311 475 A C 0.734 178.255 177.584 -0.105 0.000 1.129 475 A CA -0.551 51.378 52.037 -0.180 0.000 0.809 475 A CB 0.269 19.139 19.000 -0.217 0.000 1.257 475 A HN 0.045 nan 8.150 nan 0.000 0.491 476 K N 0.351 120.702 120.400 -0.083 0.000 2.209 476 K HA -0.085 4.235 4.320 -0.000 0.000 0.204 476 K C 0.327 176.902 176.600 -0.042 0.000 1.048 476 K CA 1.120 57.376 56.287 -0.051 0.000 0.940 476 K CB 0.112 32.587 32.500 -0.042 0.000 0.729 476 K HN 0.548 nan 8.250 nan 0.000 0.451 477 N N -0.114 118.560 118.700 -0.044 0.000 2.328 477 N HA 0.077 4.817 4.740 -0.000 0.000 0.247 477 N C -0.926 174.571 175.510 -0.022 0.000 1.165 477 N CA 0.070 53.100 53.050 -0.033 0.000 0.873 477 N CB 0.662 39.127 38.487 -0.037 0.000 1.125 477 N HN 0.021 nan 8.380 nan 0.000 0.513 478 C N 1.428 120.709 119.300 -0.033 0.000 3.273 478 C HA 0.329 4.789 4.460 -0.000 0.000 0.227 478 C C 0.656 175.651 174.990 0.008 0.000 1.409 478 C CA -0.890 58.118 59.018 -0.018 0.000 1.516 478 C CB -0.618 27.112 27.740 -0.016 0.000 1.853 478 C HN 0.004 nan 8.230 nan 0.000 0.472 479 V N 2.426 122.343 119.914 0.004 0.000 2.529 479 V HA 0.057 4.177 4.120 -0.000 0.000 0.292 479 V C 0.721 176.842 176.094 0.045 0.000 1.028 479 V CA 0.321 62.630 62.300 0.016 0.000 1.074 479 V CB 0.692 32.520 31.823 0.008 0.000 0.958 479 V HN 0.510 nan 8.190 nan 0.000 0.481 480 V N 5.594 125.535 119.914 0.046 0.000 2.617 480 V HA 0.349 4.469 4.120 -0.000 0.000 0.304 480 V C 1.497 177.654 176.094 0.105 0.000 1.040 480 V CA 1.615 63.957 62.300 0.070 0.000 1.149 480 V CB 0.105 31.955 31.823 0.045 0.000 0.914 480 V HN 1.299 nan 8.190 nan 0.000 0.487 481 G N 3.506 112.407 108.800 0.169 0.000 2.213 481 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.236 481 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.236 481 G C 0.313 175.334 174.900 0.203 0.000 0.991 481 G CA 0.286 45.517 45.100 0.219 0.000 0.629 481 G HN 1.203 nan 8.290 nan 0.000 0.517 482 T N -1.242 113.411 114.554 0.166 0.000 2.952 482 T HA 0.701 5.051 4.350 -0.000 0.000 0.286 482 T C 0.397 175.108 174.700 0.019 0.000 1.024 482 T CA -0.008 62.154 62.100 0.102 0.000 1.029 482 T CB 1.793 70.665 68.868 0.006 0.000 1.094 482 T HN 0.991 nan 8.240 nan 0.000 0.515 483 R N 0.281 120.598 120.500 -0.305 0.000 2.590 483 R HA 0.368 4.708 4.340 -0.000 0.000 0.274 483 R C -0.669 175.525 176.300 -0.177 0.000 1.061 483 R CA -0.692 55.035 56.100 -0.622 0.000 1.081 483 R CB -0.563 29.293 30.300 -0.740 0.000 0.984 483 R HN 0.617 nan 8.270 nan 0.000 0.448 484 F N 2.532 122.362 119.950 -0.200 0.000 2.494 484 F HA 0.181 4.708 4.527 -0.000 0.000 0.369 484 F C 0.448 176.278 175.800 0.049 0.000 1.098 484 F CA -0.120 57.864 58.000 -0.026 0.000 1.154 484 F CB 0.505 39.499 39.000 -0.011 0.000 1.103 484 F HN 0.604 nan 8.300 nan 0.000 0.549 485 K N 5.011 125.244 120.400 -0.279 0.000 2.322 485 K HA 0.157 4.477 4.320 -0.000 0.000 0.283 485 K C 0.208 176.790 176.600 -0.029 0.000 1.042 485 K CA -0.399 55.806 56.287 -0.138 0.000 0.958 485 K CB 0.876 33.276 32.500 -0.167 0.000 0.984 485 K HN 0.672 nan 8.250 nan 0.000 0.473 486 S N 3.349 119.070 115.700 0.034 0.000 2.560 486 S HA 0.042 4.512 4.470 -0.000 0.000 0.284 486 S C -0.771 173.749 174.600 -0.133 0.000 1.327 486 S CA -0.215 58.048 58.200 0.106 0.000 1.055 486 S CB 0.448 63.661 63.200 0.022 0.000 0.868 486 S HN 0.549 nan 8.310 nan 0.000 0.506 487 Q N 2.890 122.565 119.800 -0.209 0.000 2.421 487 Q HA 0.450 4.790 4.340 -0.000 0.000 0.280 487 Q C -2.814 172.970 176.000 -0.360 0.000 1.085 487 Q CA -2.315 53.157 55.803 -0.552 0.000 0.807 487 Q CB 1.363 29.258 28.738 -1.404 0.000 1.405 487 Q HN 0.403 nan 8.270 nan 0.000 0.419 488 P HA 0.108 nan 4.420 nan 0.000 0.268 488 P C -0.627 176.385 177.300 -0.481 0.000 1.205 488 P CA -0.063 62.624 63.100 -0.688 0.000 0.771 488 P CB 0.683 31.897 31.700 -0.810 0.000 0.858 489 V N 0.304 119.928 119.914 -0.483 0.000 3.182 489 V HA 0.631 4.751 4.120 -0.000 0.000 0.308 489 V C -0.887 175.086 176.094 -0.202 0.000 1.240 489 V CA -1.060 61.114 62.300 -0.211 0.000 1.063 489 V CB 2.147 33.970 31.823 -0.001 0.000 1.076 489 V HN 0.109 nan 8.190 nan 0.000 0.446 490 V N 1.730 121.606 119.914 -0.065 0.000 2.357 490 V HA 0.514 4.634 4.120 -0.000 0.000 0.284 490 V C 0.377 176.512 176.094 0.067 0.000 1.018 490 V CA -0.486 61.803 62.300 -0.019 0.000 0.841 490 V CB 1.116 32.873 31.823 -0.109 0.000 0.991 490 V HN 0.972 nan 8.190 nan 0.000 0.437 491 R N 2.210 122.796 120.500 0.144 0.000 2.449 491 R HA 0.084 4.424 4.340 -0.000 0.000 0.296 491 R C 1.210 177.511 176.300 0.003 0.000 1.047 491 R CA 0.142 56.285 56.100 0.072 0.000 1.018 491 R CB 0.197 30.564 30.300 0.112 0.000 0.962 491 R HN 0.833 nan 8.270 nan 0.000 0.428 492 H N 1.707 120.695 119.070 -0.136 0.000 2.389 492 H HA -0.140 4.415 4.556 -0.000 0.000 0.299 492 H C 1.972 177.312 175.328 0.020 0.000 1.081 492 H CA 2.254 58.280 56.048 -0.037 0.000 1.345 492 H CB 0.372 30.127 29.762 -0.012 0.000 1.393 492 H HN 0.817 nan 8.280 nan 0.000 0.520 493 S N 0.244 116.073 115.700 0.215 0.000 2.365 493 S HA -0.225 4.245 4.470 -0.000 0.000 0.225 493 S C 1.792 176.474 174.600 0.137 0.000 1.039 493 S CA 1.600 59.923 58.200 0.205 0.000 1.033 493 S CB -0.087 63.234 63.200 0.202 0.000 0.887 493 S HN 0.783 nan 8.310 nan 0.000 0.447 494 E N 0.431 120.698 120.200 0.113 0.000 2.601 494 E HA 0.265 4.615 4.350 -0.000 0.000 0.219 494 E C 1.076 177.763 176.600 0.146 0.000 0.964 494 E CA 0.595 57.067 56.400 0.120 0.000 1.050 494 E CB -0.081 29.683 29.700 0.107 0.000 1.068 494 E HN 0.873 nan 8.360 nan 0.000 0.496 495 G N 2.027 110.884 108.800 0.095 0.000 2.149 495 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.235 495 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.235 495 G C -0.185 174.805 174.900 0.151 0.000 1.018 495 G CA 0.250 45.388 45.100 0.063 0.000 0.728 495 G HN 0.327 nan 8.290 nan 0.000 0.508 496 L N 0.487 121.809 121.223 0.165 0.000 2.361 496 L HA 0.642 4.982 4.340 -0.000 0.000 0.278 496 L C 0.618 177.622 176.870 0.222 0.000 1.113 496 L CA -1.049 53.921 54.840 0.216 0.000 0.849 496 L CB 0.291 42.455 42.059 0.176 0.000 1.155 496 L HN 0.261 nan 8.230 nan 0.000 0.452 497 W N 8.695 130.031 121.300 0.060 0.000 2.266 497 W HA 0.499 5.159 4.660 -0.000 0.000 0.317 497 W C -0.490 175.964 176.519 -0.109 0.000 1.310 497 W CA -0.484 56.830 57.345 -0.052 0.000 1.207 497 W CB 0.541 29.954 29.460 -0.079 0.000 1.199 497 W HN 0.647 nan 8.180 nan 0.000 0.544 498 M N 4.314 123.566 119.600 -0.579 0.000 2.603 498 M HA 0.317 4.797 4.480 -0.000 0.000 0.275 498 M C -1.361 174.421 176.300 -0.862 0.000 1.226 498 M CA -1.039 53.921 55.300 -0.568 0.000 0.870 498 M CB 1.891 34.404 32.600 -0.146 0.000 1.716 498 M HN 0.230 nan 8.290 nan 0.000 0.482 499 H N 1.807 120.582 119.070 -0.491 0.000 2.819 499 H HA 0.158 4.714 4.556 -0.000 0.000 0.303 499 H C 0.056 175.262 175.328 -0.205 0.000 1.058 499 H CA 0.207 56.027 56.048 -0.381 0.000 1.471 499 H CB 0.849 30.429 29.762 -0.303 0.000 1.480 499 H HN 0.774 nan 8.280 nan 0.000 0.517 500 F N 3.482 123.342 119.950 -0.150 0.000 2.202 500 F HA -0.108 4.419 4.527 -0.000 0.000 0.301 500 F C 2.224 177.998 175.800 -0.043 0.000 1.082 500 F CA 1.488 59.416 58.000 -0.120 0.000 1.313 500 F CB -0.294 38.753 39.000 0.078 0.000 1.024 500 F HN 0.665 nan 8.300 nan 0.000 0.495 501 G N -0.294 108.497 108.800 -0.015 0.000 2.462 501 G HA2 -0.296 3.663 3.960 -0.000 0.000 0.220 501 G HA3 -0.296 3.663 3.960 -0.000 0.000 0.220 501 G C 1.292 176.085 174.900 -0.178 0.000 1.121 501 G CA 1.083 46.140 45.100 -0.072 0.000 0.758 501 G HN 0.324 nan 8.290 nan 0.000 0.559 502 D N -0.067 120.235 120.400 -0.163 0.000 2.263 502 D HA -0.062 4.578 4.640 -0.000 0.000 0.208 502 D C 2.446 178.609 176.300 -0.229 0.000 0.971 502 D CA 0.615 54.535 54.000 -0.133 0.000 0.867 502 D CB -0.071 40.685 40.800 -0.073 0.000 0.929 502 D HN 0.236 nan 8.370 nan 0.000 0.492 503 R N 0.456 120.693 120.500 -0.438 0.000 2.236 503 R HA 0.097 4.437 4.340 -0.000 0.000 0.208 503 R C 0.719 176.754 176.300 -0.442 0.000 1.036 503 R CA 0.321 56.121 56.100 -0.499 0.000 1.001 503 R CB -0.367 29.409 30.300 -0.873 0.000 0.896 503 R HN 0.125 nan 8.270 nan 0.000 0.464 504 L N 1.713 122.687 121.223 -0.414 0.000 2.727 504 L HA 0.225 4.565 4.340 -0.000 0.000 0.237 504 L C -0.453 176.315 176.870 -0.170 0.000 1.370 504 L CA -0.667 54.001 54.840 -0.286 0.000 1.248 504 L CB 0.320 42.236 42.059 -0.239 0.000 1.556 504 L HN -0.140 nan 8.230 nan 0.000 0.420 505 V N 0.332 120.152 119.914 -0.157 0.000 2.557 505 V HA -0.076 4.044 4.120 -0.000 0.000 0.301 505 V C 1.045 177.083 176.094 -0.093 0.000 1.026 505 V CA 0.462 62.701 62.300 -0.103 0.000 1.137 505 V CB 0.734 32.500 31.823 -0.096 0.000 0.917 505 V HN 0.450 nan 8.190 nan 0.000 0.484 506 T N 5.385 119.908 114.554 -0.052 0.000 2.727 506 T HA 0.314 4.664 4.350 -0.000 0.000 0.295 506 T C 0.290 174.935 174.700 -0.092 0.000 0.915 506 T CA -0.048 62.012 62.100 -0.067 0.000 1.066 506 T CB 0.098 68.986 68.868 0.034 0.000 0.891 506 T HN 1.018 nan 8.240 nan 0.000 0.516 507 D N 1.105 121.424 120.400 -0.135 0.000 2.640 507 D HA 0.248 4.888 4.640 -0.000 0.000 0.282 507 D C 1.184 177.353 176.300 -0.219 0.000 1.558 507 D CA -0.006 53.886 54.000 -0.180 0.000 0.820 507 D CB -0.374 40.342 40.800 -0.140 0.000 1.243 507 D HN 0.707 nan 8.370 nan 0.000 0.456 508 G N 0.541 109.264 108.800 -0.127 0.000 2.213 508 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.226 508 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.226 508 G C 0.209 175.121 174.900 0.021 0.000 0.992 508 G CA -0.362 44.761 45.100 0.039 0.000 0.632 508 G HN 0.401 nan 8.290 nan 0.000 0.511 509 R N -0.194 120.279 120.500 -0.045 0.000 2.441 509 R HA 0.579 4.919 4.340 -0.000 0.000 0.284 509 R C -0.098 176.175 176.300 -0.044 0.000 1.070 509 R CA -0.444 55.673 56.100 0.028 0.000 1.047 509 R CB 0.466 30.776 30.300 0.017 0.000 1.016 509 R HN 0.099 nan 8.270 nan 0.000 0.477 510 F N 1.118 121.068 119.950 0.001 0.000 2.378 510 F HA 0.313 4.840 4.527 -0.000 0.000 0.319 510 F C 0.806 176.626 175.800 0.034 0.000 1.155 510 F CA -0.002 58.025 58.000 0.045 0.000 1.157 510 F CB 0.778 39.966 39.000 0.314 0.000 1.252 510 F HN 0.189 nan 8.300 nan 0.000 0.550 511 R N 1.128 121.752 120.500 0.207 0.000 2.740 511 R HA 0.598 4.938 4.340 -0.000 0.000 0.282 511 R C -1.346 175.038 176.300 0.140 0.000 0.969 511 R CA -0.564 55.594 56.100 0.097 0.000 0.918 511 R CB 1.459 31.716 30.300 -0.072 0.000 1.175 511 R HN 0.503 nan 8.270 nan 0.000 0.464 512 I N 4.159 124.802 120.570 0.122 0.000 2.354 512 I HA 0.334 4.504 4.170 -0.000 0.000 0.286 512 I C -0.433 175.677 176.117 -0.012 0.000 1.007 512 I CA -0.654 60.714 61.300 0.114 0.000 1.167 512 I CB 1.183 39.323 38.000 0.233 0.000 1.320 512 I HN 0.305 nan 8.210 nan 0.000 0.458 513 I N 7.637 128.107 120.570 -0.167 0.000 2.312 513 I HA 0.183 4.353 4.170 -0.000 0.000 0.291 513 I C 0.174 176.062 176.117 -0.382 0.000 1.031 513 I CA -0.559 60.510 61.300 -0.384 0.000 1.293 513 I CB 1.224 38.802 38.000 -0.702 0.000 1.403 513 I HN 0.141 nan 8.210 nan 0.000 0.484 514 V N 7.701 127.423 119.914 -0.320 0.000 2.339 514 V HA 0.198 4.318 4.120 -0.000 0.000 0.261 514 V C -0.000 175.910 176.094 -0.306 0.000 1.058 514 V CA -0.431 61.722 62.300 -0.246 0.000 0.897 514 V CB -0.130 31.646 31.823 -0.078 0.000 1.052 514 V HN 0.326 nan 8.190 nan 0.000 0.480 515 F N 3.576 123.426 119.950 -0.167 0.000 2.509 515 F HA 0.358 4.885 4.527 -0.000 0.000 0.350 515 F C 1.436 177.295 175.800 0.098 0.000 1.220 515 F CA -0.162 57.781 58.000 -0.096 0.000 1.151 515 F CB 0.808 39.620 39.000 -0.315 0.000 1.379 515 F HN 0.575 nan 8.300 nan 0.000 0.610 516 A N 3.006 126.012 122.820 0.310 0.000 2.168 516 A HA 0.348 4.668 4.320 -0.000 0.000 0.215 516 A C 1.863 179.643 177.584 0.326 0.000 1.152 516 A CA 0.838 53.058 52.037 0.305 0.000 0.716 516 A CB -1.082 18.159 19.000 0.401 0.000 0.794 516 A HN 0.998 nan 8.150 nan 0.000 0.465 517 G N -0.261 108.798 108.800 0.432 0.000 2.552 517 G HA2 -0.348 3.612 3.960 -0.000 0.000 0.265 517 G HA3 -0.348 3.612 3.960 -0.000 0.000 0.265 517 G C 0.250 175.236 174.900 0.144 0.000 1.234 517 G CA 0.316 45.570 45.100 0.255 0.000 0.944 517 G HN 0.677 nan 8.290 nan 0.000 0.568 518 K N 1.599 122.047 120.400 0.079 0.000 2.155 518 K HA 0.525 4.845 4.320 -0.000 0.000 0.240 518 K C 1.706 178.329 176.600 0.037 0.000 1.193 518 K CA 0.706 57.024 56.287 0.050 0.000 1.104 518 K CB -0.555 31.958 32.500 0.022 0.000 1.558 518 K HN 0.880 nan 8.250 nan 0.000 0.313 519 A N 1.738 124.585 122.820 0.045 0.000 2.125 519 A HA -0.128 4.192 4.320 -0.000 0.000 0.219 519 A C 1.836 179.330 177.584 -0.151 0.000 1.156 519 A CA 1.878 53.873 52.037 -0.069 0.000 0.671 519 A CB -0.535 18.372 19.000 -0.154 0.000 0.794 519 A HN 0.756 nan 8.150 nan 0.000 0.459 520 T N -2.207 112.290 114.554 -0.095 0.000 3.055 520 T HA 0.000 4.350 4.350 -0.000 0.000 0.265 520 T C 0.544 175.207 174.700 -0.061 0.000 1.111 520 T CA 0.601 62.647 62.100 -0.089 0.000 1.118 520 T CB -0.548 68.290 68.868 -0.050 0.000 0.909 520 T HN 0.506 nan 8.240 nan 0.000 0.501 521 D N 0.635 121.011 120.400 -0.040 0.000 2.348 521 D HA 0.537 5.177 4.640 -0.000 0.000 0.253 521 D C 1.341 177.622 176.300 -0.032 0.000 1.161 521 D CA 0.178 54.163 54.000 -0.025 0.000 0.876 521 D CB 0.995 41.791 40.800 -0.008 0.000 1.160 521 D HN 0.113 nan 8.370 nan 0.000 0.459 522 A N 3.036 125.838 122.820 -0.029 0.000 1.908 522 A HA -0.177 4.143 4.320 -0.000 0.000 0.218 522 A C 2.125 179.699 177.584 -0.016 0.000 1.181 522 A CA 1.804 53.824 52.037 -0.029 0.000 0.627 522 A CB -0.821 18.165 19.000 -0.023 0.000 0.818 522 A HN 0.693 nan 8.150 nan 0.000 0.445 523 T N -0.646 113.904 114.554 -0.007 0.000 2.746 523 T HA -0.171 4.179 4.350 -0.000 0.000 0.267 523 T C 2.125 176.831 174.700 0.010 0.000 1.039 523 T CA 1.812 63.914 62.100 0.004 0.000 1.142 523 T CB -0.220 68.652 68.868 0.007 0.000 0.866 523 T HN 0.575 nan 8.240 nan 0.000 0.444 524 Q N 0.647 120.453 119.800 0.010 0.000 2.079 524 Q HA 0.008 4.348 4.340 -0.000 0.000 0.200 524 Q C 2.143 178.154 176.000 0.019 0.000 0.974 524 Q CA 1.337 57.154 55.803 0.023 0.000 0.840 524 Q CB -0.464 28.292 28.738 0.030 0.000 0.898 524 Q HN 0.396 nan 8.270 nan 0.000 0.430 525 M N -0.586 119.005 119.600 -0.015 0.000 2.213 525 M HA -0.046 4.434 4.480 -0.000 0.000 0.263 525 M C 1.860 178.159 176.300 -0.002 0.000 1.062 525 M CA 1.554 56.831 55.300 -0.039 0.000 1.105 525 M CB -0.424 32.115 32.600 -0.101 0.000 1.385 525 M HN 0.130 nan 8.290 nan 0.000 0.417 526 S N 0.229 115.933 115.700 0.006 0.000 2.382 526 S HA -0.110 4.360 4.470 -0.000 0.000 0.228 526 S C 1.903 176.533 174.600 0.051 0.000 1.027 526 S CA 1.331 59.545 58.200 0.023 0.000 0.991 526 S CB -0.292 62.919 63.200 0.017 0.000 0.823 526 S HN 0.560 nan 8.310 nan 0.000 0.469 527 R N 0.533 121.067 120.500 0.057 0.000 2.092 527 R HA 0.073 4.413 4.340 -0.000 0.000 0.231 527 R C 2.167 178.547 176.300 0.133 0.000 1.119 527 R CA 1.178 57.329 56.100 0.084 0.000 0.970 527 R CB -0.460 29.879 30.300 0.066 0.000 0.864 527 R HN 0.387 nan 8.270 nan 0.000 0.440 528 I N 1.128 121.772 120.570 0.122 0.000 2.179 528 I HA -0.290 3.880 4.170 -0.000 0.000 0.242 528 I C 2.171 178.412 176.117 0.208 0.000 1.088 528 I CA 1.487 62.896 61.300 0.183 0.000 1.357 528 I CB -0.204 37.892 38.000 0.159 0.000 1.051 528 I HN 0.105 nan 8.210 nan 0.000 0.409 529 K N 0.674 121.149 120.400 0.126 0.000 2.097 529 K HA -0.235 4.085 4.320 -0.000 0.000 0.206 529 K C 2.170 178.840 176.600 0.118 0.000 1.049 529 K CA 1.348 57.696 56.287 0.102 0.000 0.933 529 K CB -0.128 32.401 32.500 0.049 0.000 0.717 529 K HN 0.183 nan 8.250 nan 0.000 0.442 530 K N 0.360 120.840 120.400 0.133 0.000 2.057 530 K HA -0.154 4.166 4.320 -0.000 0.000 0.206 530 K C 1.941 178.657 176.600 0.194 0.000 1.050 530 K CA 1.119 57.486 56.287 0.134 0.000 0.935 530 K CB -0.146 32.426 32.500 0.121 0.000 0.715 530 K HN 0.021 nan 8.250 nan 0.000 0.439 531 F N 1.116 121.129 119.950 0.105 0.000 2.134 531 F HA -0.084 4.443 4.527 -0.000 0.000 0.299 531 F C 1.941 177.851 175.800 0.184 0.000 1.097 531 F CA 1.418 59.508 58.000 0.150 0.000 1.264 531 F CB -0.450 38.624 39.000 0.123 0.000 1.001 531 F HN 0.088 nan 8.300 nan 0.000 0.479 532 A N 0.305 123.213 122.820 0.147 0.000 1.933 532 A HA -0.030 4.290 4.320 -0.000 0.000 0.218 532 A C 2.400 179.951 177.584 -0.056 0.000 1.175 532 A CA 1.587 53.637 52.037 0.021 0.000 0.628 532 A CB -1.500 17.561 19.000 0.101 0.000 0.814 532 A HN 0.484 nan 8.150 nan 0.000 0.444 533 A N -1.111 121.708 122.820 -0.001 0.000 1.902 533 A HA -0.109 4.211 4.320 -0.000 0.000 0.217 533 A C 2.115 179.660 177.584 -0.066 0.000 1.181 533 A CA 1.685 53.708 52.037 -0.023 0.000 0.623 533 A CB -0.843 18.168 19.000 0.019 0.000 0.818 533 A HN 0.828 nan 8.150 nan 0.000 0.443 534 Y N 0.761 120.970 120.300 -0.151 0.000 2.097 534 Y HA -0.209 4.341 4.550 -0.000 0.000 0.282 534 Y C 1.885 177.641 175.900 -0.240 0.000 1.152 534 Y CA 1.944 59.931 58.100 -0.188 0.000 1.136 534 Y CB -0.519 37.805 38.460 -0.228 0.000 0.975 534 Y HN 0.203 nan 8.280 nan 0.000 0.498 535 L N 0.161 121.011 121.223 -0.622 0.000 2.043 535 L HA -0.262 4.078 4.340 -0.000 0.000 0.212 535 L C 1.871 178.469 176.870 -0.455 0.000 1.075 535 L CA 1.739 56.205 54.840 -0.624 0.000 0.752 535 L CB -0.631 41.207 42.059 -0.368 0.000 0.891 535 L HN 0.237 nan 8.230 nan 0.000 0.432 536 D N -0.348 119.868 120.400 -0.308 0.000 2.347 536 D HA -0.025 4.615 4.640 -0.000 0.000 0.215 536 D C 1.238 177.406 176.300 -0.220 0.000 0.976 536 D CA 0.454 54.324 54.000 -0.218 0.000 0.884 536 D CB -0.028 40.688 40.800 -0.139 0.000 0.915 536 D HN 0.320 nan 8.370 nan 0.000 0.526 537 S N 0.415 115.951 115.700 -0.273 0.000 2.579 537 S HA 0.006 4.476 4.470 -0.000 0.000 0.275 537 S C 1.369 175.842 174.600 -0.212 0.000 1.345 537 S CA -0.523 57.551 58.200 -0.210 0.000 1.031 537 S CB 2.064 65.157 63.200 -0.179 0.000 0.892 537 S HN -0.074 nan 8.310 nan 0.000 0.529 538 E N 1.931 122.044 120.200 -0.145 0.000 2.130 538 E HA -0.226 4.124 4.350 -0.000 0.000 0.196 538 E C 0.782 177.291 176.600 -0.152 0.000 0.998 538 E CA 1.912 58.233 56.400 -0.132 0.000 0.806 538 E CB -0.193 29.451 29.700 -0.092 0.000 0.738 538 E HN 0.732 nan 8.360 nan 0.000 0.459 539 N N 0.220 118.835 118.700 -0.142 0.000 2.238 539 N HA 0.050 4.789 4.740 -0.000 0.000 0.222 539 N C -0.524 174.897 175.510 -0.149 0.000 1.133 539 N CA 0.517 53.488 53.050 -0.131 0.000 0.854 539 N CB 0.555 39.005 38.487 -0.063 0.000 1.041 539 N HN 0.179 nan 8.380 nan 0.000 0.510 540 S N -0.359 115.165 115.700 -0.294 0.000 2.608 540 S HA 0.086 4.556 4.470 -0.000 0.000 0.261 540 S C 1.904 176.368 174.600 -0.226 0.000 1.314 540 S CA -0.435 57.487 58.200 -0.463 0.000 0.992 540 S CB 1.024 63.630 63.200 -0.989 0.000 0.935 540 S HN 0.015 nan 8.310 nan 0.000 0.564 541 V N -0.272 119.612 119.914 -0.049 0.000 2.594 541 V HA -0.084 4.036 4.120 -0.000 0.000 0.253 541 V C 2.016 178.054 176.094 -0.093 0.000 1.069 541 V CA 1.072 63.388 62.300 0.026 0.000 1.082 541 V CB -1.225 30.616 31.823 0.031 0.000 0.680 541 V HN 0.797 nan 8.190 nan 0.000 0.469 542 I N 1.311 121.770 120.570 -0.184 0.000 2.202 542 I HA -0.114 4.056 4.170 -0.000 0.000 0.242 542 I C 2.720 178.732 176.117 -0.174 0.000 1.091 542 I CA 1.860 63.058 61.300 -0.171 0.000 1.368 542 I CB -1.560 36.325 38.000 -0.191 0.000 1.058 542 I HN 0.351 nan 8.210 nan 0.000 0.410 543 S N 0.252 115.817 115.700 -0.225 0.000 2.406 543 S HA -0.128 4.342 4.470 -0.000 0.000 0.228 543 S C 2.091 176.555 174.600 -0.227 0.000 1.020 543 S CA 0.953 59.028 58.200 -0.210 0.000 0.965 543 S CB -0.151 62.915 63.200 -0.223 0.000 0.798 543 S HN 0.407 nan 8.310 nan 0.000 0.488 544 R N -0.308 119.999 120.500 -0.322 0.000 2.112 544 R HA 0.043 4.383 4.340 -0.000 0.000 0.216 544 R C 0.940 176.883 176.300 -0.596 0.000 1.080 544 R CA 1.029 56.823 56.100 -0.509 0.000 0.996 544 R CB -0.063 29.807 30.300 -0.718 0.000 0.902 544 R HN 0.378 nan 8.270 nan 0.000 0.449 545 Y N -0.219 120.014 120.300 -0.112 0.000 2.467 545 Y HA 0.307 4.857 4.550 -0.000 0.000 0.250 545 Y C -0.022 175.828 175.900 -0.083 0.000 1.155 545 Y CA -0.098 57.943 58.100 -0.099 0.000 1.249 545 Y CB 0.838 39.211 38.460 -0.144 0.000 1.146 545 Y HN -0.160 nan 8.280 nan 0.000 0.524 546 T N 3.965 118.513 114.554 -0.009 0.000 2.743 546 T HA 0.264 4.614 4.350 -0.000 0.000 0.293 546 T C -2.583 172.099 174.700 -0.029 0.000 0.945 546 T CA -1.587 60.502 62.100 -0.018 0.000 1.030 546 T CB 1.134 69.970 68.868 -0.054 0.000 0.912 546 T HN -0.183 nan 8.240 nan 0.000 0.483 547 P HA 0.087 nan 4.420 nan 0.000 0.269 547 P C 0.000 177.282 177.300 -0.031 0.000 1.209 547 P CA -0.489 62.602 63.100 -0.014 0.000 0.776 547 P CB 0.479 32.181 31.700 0.003 0.000 0.876 548 K N 2.085 122.463 120.400 -0.036 0.000 2.524 548 K HA 0.104 4.424 4.320 -0.000 0.000 0.279 548 K C 1.207 177.786 176.600 -0.035 0.000 0.993 548 K CA 1.138 57.400 56.287 -0.041 0.000 1.030 548 K CB -0.775 31.703 32.500 -0.037 0.000 0.891 548 K HN 0.763 nan 8.250 nan 0.000 0.488 549 G N 1.771 110.546 108.800 -0.042 0.000 2.253 549 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.251 549 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.251 549 G C 0.108 174.985 174.900 -0.038 0.000 0.998 549 G CA 0.185 45.262 45.100 -0.038 0.000 0.621 549 G HN 0.961 nan 8.290 nan 0.000 0.524 550 A N 0.161 122.959 122.820 -0.037 0.000 2.286 550 A HA 0.569 4.888 4.320 -0.000 0.000 0.286 550 A C 0.316 177.871 177.584 -0.049 0.000 1.097 550 A CA 0.326 52.343 52.037 -0.033 0.000 0.821 550 A CB 0.485 19.474 19.000 -0.019 0.000 1.076 550 A HN 0.401 nan 8.150 nan 0.000 0.490 551 D N 0.187 120.560 120.400 -0.045 0.000 2.458 551 D HA 0.015 4.655 4.640 -0.000 0.000 0.243 551 D C 0.810 177.074 176.300 -0.061 0.000 1.146 551 D CA 0.178 54.141 54.000 -0.062 0.000 0.877 551 D CB 0.510 41.285 40.800 -0.042 0.000 1.176 551 D HN 0.512 nan 8.370 nan 0.000 0.461 552 R N 2.612 123.056 120.500 -0.094 0.000 2.339 552 R HA 0.005 4.345 4.340 -0.000 0.000 0.199 552 R C 0.622 176.881 176.300 -0.069 0.000 1.018 552 R CA 0.314 56.358 56.100 -0.095 0.000 1.036 552 R CB 0.204 30.427 30.300 -0.129 0.000 0.899 552 R HN 0.346 nan 8.270 nan 0.000 0.473 553 N N -0.502 118.176 118.700 -0.036 0.000 2.204 553 N HA -0.010 4.730 4.740 -0.000 0.000 0.219 553 N C 0.717 176.265 175.510 0.064 0.000 1.151 553 N CA 0.239 53.317 53.050 0.047 0.000 0.867 553 N CB 1.123 39.705 38.487 0.159 0.000 1.043 553 N HN 0.131 nan 8.380 nan 0.000 0.516 554 S N -0.603 115.113 115.700 0.027 0.000 2.558 554 S HA 0.201 4.671 4.470 -0.000 0.000 0.217 554 S C 1.562 176.184 174.600 0.036 0.000 0.975 554 S CA 0.210 58.427 58.200 0.028 0.000 0.912 554 S CB 0.476 63.683 63.200 0.012 0.000 0.776 554 S HN 0.059 nan 8.310 nan 0.000 0.526 555 R N 0.182 120.706 120.500 0.040 0.000 2.302 555 R HA 0.515 4.855 4.340 -0.000 0.000 0.187 555 R C -0.006 176.342 176.300 0.079 0.000 0.904 555 R CA 0.357 56.495 56.100 0.064 0.000 1.105 555 R CB 0.081 30.414 30.300 0.055 0.000 1.239 555 R HN 0.383 nan 8.270 nan 0.000 0.620 556 I N 2.113 122.696 120.570 0.021 0.000 2.418 556 I HA 0.185 4.355 4.170 -0.000 0.000 0.287 556 I C -0.970 175.179 176.117 0.053 0.000 1.008 556 I CA -0.864 60.447 61.300 0.017 0.000 1.104 556 I CB 2.201 40.093 38.000 -0.180 0.000 1.264 556 I HN -0.155 nan 8.210 nan 0.000 0.438 557 D N 6.670 127.131 120.400 0.100 0.000 2.396 557 D HA 0.299 4.939 4.640 -0.000 0.000 0.225 557 D C -0.820 175.575 176.300 0.158 0.000 1.121 557 D CA -0.173 53.909 54.000 0.138 0.000 0.853 557 D CB 1.394 42.248 40.800 0.089 0.000 1.043 557 D HN 0.084 nan 8.370 nan 0.000 0.500 558 V N 5.991 126.028 119.914 0.205 0.000 2.333 558 V HA 0.377 4.497 4.120 -0.000 0.000 0.274 558 V C 0.446 176.712 176.094 0.287 0.000 1.028 558 V CA -0.552 61.864 62.300 0.194 0.000 0.851 558 V CB 0.674 32.586 31.823 0.149 0.000 1.000 558 V HN 0.448 nan 8.190 nan 0.000 0.456 559 I N 3.716 124.405 120.570 0.198 0.000 2.474 559 I HA 0.488 4.658 4.170 -0.000 0.000 0.294 559 I C 0.084 176.241 176.117 0.067 0.000 1.005 559 I CA -0.284 61.151 61.300 0.224 0.000 1.113 559 I CB 2.386 40.507 38.000 0.201 0.000 1.289 559 I HN 0.421 nan 8.210 nan 0.000 0.436 560 T N 6.700 121.313 114.554 0.099 0.000 2.779 560 T HA 0.628 4.978 4.350 -0.000 0.000 0.280 560 T C -0.281 174.391 174.700 -0.046 0.000 0.987 560 T CA -0.298 61.779 62.100 -0.039 0.000 0.966 560 T CB 0.973 69.784 68.868 -0.094 0.000 0.933 560 T HN 0.277 nan 8.240 nan 0.000 0.442 561 I N 4.482 124.950 120.570 -0.170 0.000 2.439 561 I HA 0.350 4.520 4.170 -0.000 0.000 0.283 561 I C 0.012 176.225 176.117 0.160 0.000 1.023 561 I CA -0.982 60.255 61.300 -0.104 0.000 1.100 561 I CB 1.194 38.966 38.000 -0.379 0.000 1.238 561 I HN 0.786 nan 8.210 nan 0.000 0.445 562 H N 2.870 122.060 119.070 0.201 0.000 2.570 562 H HA 0.544 5.100 4.556 -0.000 0.000 0.342 562 H C 0.479 175.887 175.328 0.135 0.000 1.245 562 H CA -0.952 55.250 56.048 0.257 0.000 1.318 562 H CB 1.205 31.151 29.762 0.306 0.000 1.694 562 H HN 0.381 nan 8.280 nan 0.000 0.592 563 S N -0.628 115.132 115.700 0.099 0.000 2.575 563 S HA 0.275 4.745 4.470 -0.000 0.000 0.237 563 S C -0.216 174.435 174.600 0.086 0.000 0.975 563 S CA -0.622 57.465 58.200 -0.188 0.000 0.960 563 S CB -1.053 61.770 63.200 -0.629 0.000 0.822 563 S HN 0.546 nan 8.310 nan 0.000 0.472 564 C N 2.254 121.797 119.300 0.405 0.000 2.335 564 C HA 0.528 4.988 4.460 -0.000 0.000 0.363 564 C C 0.551 175.702 174.990 0.269 0.000 1.198 564 C CA -0.904 58.299 59.018 0.308 0.000 2.279 564 C CB 0.403 28.292 27.740 0.249 0.000 2.334 564 C HN 0.620 nan 8.230 nan 0.000 0.559 565 H N 1.556 120.686 119.070 0.099 0.000 2.652 565 H HA 0.131 4.687 4.556 -0.000 0.000 0.349 565 H C 1.247 176.585 175.328 0.016 0.000 1.099 565 H CA 0.265 56.322 56.048 0.013 0.000 1.417 565 H CB 0.764 30.510 29.762 -0.026 0.000 1.457 565 H HN 0.762 nan 8.280 nan 0.000 0.568 566 R N 2.262 122.553 120.500 -0.348 0.000 2.285 566 R HA -0.075 4.265 4.340 -0.000 0.000 0.213 566 R C 0.065 176.390 176.300 0.041 0.000 1.068 566 R CA 1.169 57.070 56.100 -0.332 0.000 1.004 566 R CB 0.152 29.969 30.300 -0.806 0.000 0.873 566 R HN 0.404 nan 8.270 nan 0.000 0.467 567 D N 1.065 121.675 120.400 0.350 0.000 2.347 567 D HA -0.058 4.582 4.640 -0.000 0.000 0.215 567 D C 0.512 176.888 176.300 0.127 0.000 0.976 567 D CA 0.802 54.927 54.000 0.209 0.000 0.884 567 D CB 0.078 40.948 40.800 0.118 0.000 0.915 567 D HN 0.278 nan 8.370 nan 0.000 0.526 568 D N -0.367 120.118 120.400 0.142 0.000 2.379 568 D HA 0.218 4.857 4.640 -0.000 0.000 0.208 568 D C 0.580 176.905 176.300 0.042 0.000 1.065 568 D CA -0.016 54.029 54.000 0.075 0.000 0.848 568 D CB 1.696 42.539 40.800 0.073 0.000 0.949 568 D HN 0.218 nan 8.370 nan 0.000 0.509 569 I N 0.178 120.792 120.570 0.073 0.000 2.908 569 I HA 0.126 4.296 4.170 -0.000 0.000 0.300 569 I C -1.482 174.671 176.117 0.059 0.000 1.385 569 I CA -0.632 60.663 61.300 -0.007 0.000 1.004 569 I CB 2.260 40.199 38.000 -0.102 0.000 1.309 569 I HN -0.387 nan 8.210 nan 0.000 0.449 570 E N 5.900 125.998 120.200 -0.170 0.000 2.222 570 E HA 0.377 4.727 4.350 -0.000 0.000 0.267 570 E C 0.291 176.608 176.600 -0.472 0.000 0.963 570 E CA -0.726 55.471 56.400 -0.338 0.000 0.837 570 E CB 1.847 31.061 29.700 -0.810 0.000 1.183 570 E HN 0.658 nan 8.360 nan 0.000 0.403 571 M N 0.907 120.143 119.600 -0.607 0.000 2.108 571 M HA -0.188 4.292 4.480 -0.000 0.000 0.261 571 M C 1.862 177.844 176.300 -0.529 0.000 1.066 571 M CA 1.592 56.496 55.300 -0.659 0.000 1.107 571 M CB -0.547 31.606 32.600 -0.746 0.000 1.356 571 M HN 0.541 nan 8.290 nan 0.000 0.406 572 H N -1.400 117.501 119.070 -0.281 0.000 2.567 572 H HA -0.023 4.533 4.556 -0.000 0.000 0.276 572 H C 0.436 175.701 175.328 -0.106 0.000 1.016 572 H CA 0.604 56.570 56.048 -0.137 0.000 1.186 572 H CB -0.518 29.175 29.762 -0.115 0.000 1.351 572 H HN 0.393 nan 8.280 nan 0.000 0.605 573 D N 0.684 120.971 120.400 -0.188 0.000 2.347 573 D HA 0.023 4.663 4.640 -0.000 0.000 0.213 573 D C -0.010 176.114 176.300 -0.293 0.000 0.985 573 D CA 0.247 54.118 54.000 -0.215 0.000 0.879 573 D CB -0.075 40.507 40.800 -0.362 0.000 0.919 573 D HN 0.240 nan 8.370 nan 0.000 0.526 574 F N 0.647 120.516 119.950 -0.134 0.000 2.377 574 F HA 0.299 4.826 4.527 -0.000 0.000 0.328 574 F C -1.731 174.068 175.800 -0.002 0.000 1.094 574 F CA -2.613 55.349 58.000 -0.062 0.000 1.093 574 F CB 0.279 39.237 39.000 -0.070 0.000 1.214 574 F HN -0.346 nan 8.300 nan 0.000 0.518 575 P HA 0.121 nan 4.420 nan 0.000 0.260 575 P C -1.251 176.137 177.300 0.147 0.000 1.172 575 P CA 0.252 63.430 63.100 0.130 0.000 0.760 575 P CB 0.290 32.066 31.700 0.128 0.000 0.773 576 A N 5.681 128.553 122.820 0.087 0.000 2.374 576 A HA 0.598 4.917 4.320 -0.000 0.000 0.305 576 A C -2.133 175.487 177.584 0.059 0.000 1.053 576 A CA -1.284 50.815 52.037 0.102 0.000 0.726 576 A CB 1.487 20.476 19.000 -0.018 0.000 1.229 576 A HN 0.356 nan 8.150 nan 0.000 0.431 577 P HA 0.186 nan 4.420 nan 0.000 0.261 577 P C 1.085 178.360 177.300 -0.042 0.000 1.352 577 P CA 0.681 63.809 63.100 0.047 0.000 0.891 577 P CB 0.648 32.312 31.700 -0.061 0.000 1.383 578 A N 0.909 123.719 122.820 -0.018 0.000 1.883 578 A HA -0.122 4.198 4.320 -0.000 0.000 0.217 578 A C 2.065 179.641 177.584 -0.014 0.000 1.186 578 A CA 1.535 53.549 52.037 -0.038 0.000 0.624 578 A CB -1.140 17.849 19.000 -0.018 0.000 0.822 578 A HN 0.243 nan 8.150 nan 0.000 0.444 579 L N -3.006 118.256 121.223 0.065 0.000 2.642 579 L HA 0.173 4.513 4.340 -0.000 0.000 0.233 579 L C 0.730 177.661 176.870 0.102 0.000 1.077 579 L CA 0.036 54.932 54.840 0.093 0.000 0.879 579 L CB 0.251 42.412 42.059 0.170 0.000 1.151 579 L HN 0.497 nan 8.230 nan 0.000 0.495 580 H N 1.489 120.566 119.070 0.012 0.000 2.645 580 H HA 0.379 4.935 4.556 -0.000 0.000 0.257 580 H C -2.708 172.694 175.328 0.124 0.000 1.269 580 H CA -2.846 53.244 56.048 0.070 0.000 1.409 580 H CB 0.784 30.634 29.762 0.146 0.000 1.434 580 H HN -0.139 nan 8.280 nan 0.000 0.505 581 P HA 0.038 nan 4.420 nan 0.000 0.272 581 P C -0.444 176.366 177.300 -0.817 0.000 1.223 581 P CA -0.328 62.470 63.100 -0.503 0.000 0.784 581 P CB 0.728 31.940 31.700 -0.812 0.000 0.923 582 K N 3.188 122.866 120.400 -1.203 0.000 2.419 582 K HA -0.052 4.268 4.320 -0.000 0.000 0.282 582 K C -0.225 175.376 176.600 -1.665 0.000 1.056 582 K CA 0.051 54.941 56.287 -2.328 0.000 1.035 582 K CB -0.379 31.044 32.500 -1.795 0.000 0.921 582 K HN 0.426 nan 8.250 nan 0.000 0.472 583 W N 1.237 121.406 121.300 -1.886 0.000 4.849 583 W HA -0.269 4.391 4.660 -0.000 0.000 0.358 583 W C -0.641 175.480 176.519 -0.664 0.000 1.331 583 W CA 0.409 57.226 57.345 -0.881 0.000 0.844 583 W CB -2.553 26.649 29.460 -0.429 0.000 2.434 583 W HN 0.632 nan 8.180 nan 0.000 1.458 584 Q N -0.997 118.320 119.800 -0.805 0.000 2.375 584 Q HA 0.509 4.849 4.340 -0.000 0.000 0.271 584 Q C -0.160 175.501 176.000 -0.565 0.000 1.074 584 Q CA -0.733 54.837 55.803 -0.387 0.000 0.808 584 Q CB 1.341 30.029 28.738 -0.084 0.000 1.327 584 Q HN 0.076 nan 8.270 nan 0.000 0.441 585 Y N -0.426 120.036 120.300 0.270 0.000 2.738 585 Y HA 0.208 4.758 4.550 -0.000 0.000 0.249 585 Y C -0.277 175.683 175.900 0.099 0.000 1.157 585 Y CA -0.344 57.898 58.100 0.236 0.000 1.189 585 Y CB 1.137 39.709 38.460 0.188 0.000 1.262 585 Y HN 0.551 nan 8.280 nan 0.000 0.554 586 D N 0.003 120.468 120.400 0.108 0.000 3.035 586 D HA 0.223 4.863 4.640 -0.000 0.000 0.290 586 D C 0.090 176.085 176.300 -0.507 0.000 1.360 586 D CA 0.338 54.233 54.000 -0.174 0.000 0.862 586 D CB -0.054 40.616 40.800 -0.216 0.000 1.078 586 D HN 0.294 nan 8.370 nan 0.000 0.487 587 F N -0.360 119.582 119.950 -0.013 0.000 2.784 587 F HA 0.316 4.843 4.527 -0.000 0.000 0.316 587 F C 0.852 176.638 175.800 -0.023 0.000 1.026 587 F CA -0.054 57.992 58.000 0.076 0.000 1.188 587 F CB 1.094 40.128 39.000 0.057 0.000 0.999 587 F HN -0.150 nan 8.300 nan 0.000 0.605 588 I N 0.488 120.970 120.570 -0.147 0.000 2.362 588 I HA 0.319 4.489 4.170 -0.000 0.000 0.289 588 I C -1.290 174.562 176.117 -0.442 0.000 0.994 588 I CA -0.684 60.484 61.300 -0.220 0.000 1.158 588 I CB 1.109 38.943 38.000 -0.276 0.000 1.315 588 I HN -0.095 nan 8.210 nan 0.000 0.451 589 Y N 4.083 124.375 120.300 -0.013 0.000 2.576 589 Y HA 0.793 5.343 4.550 -0.000 0.000 0.346 589 Y C 0.021 175.741 175.900 -0.299 0.000 1.018 589 Y CA -1.003 57.061 58.100 -0.060 0.000 1.050 589 Y CB 2.063 40.508 38.460 -0.024 0.000 1.280 589 Y HN 0.530 nan 8.280 nan 0.000 0.474 590 A N 0.798 123.507 122.820 -0.184 0.000 2.386 590 A HA 0.524 4.844 4.320 -0.000 0.000 0.311 590 A C -1.600 175.850 177.584 -0.223 0.000 1.068 590 A CA -0.694 51.057 52.037 -0.476 0.000 0.743 590 A CB 1.107 19.828 19.000 -0.466 0.000 1.258 590 A HN 0.674 nan 8.150 nan 0.000 0.429 591 D N 1.314 121.610 120.400 -0.174 0.000 2.479 591 D HA 0.478 5.118 4.640 -0.000 0.000 0.218 591 D C -0.289 175.741 176.300 -0.451 0.000 1.131 591 D CA 0.118 54.029 54.000 -0.147 0.000 0.916 591 D CB -0.024 40.851 40.800 0.126 0.000 1.022 591 D HN 0.777 nan 8.370 nan 0.000 0.515 592 C N 1.584 120.548 119.300 -0.560 0.000 3.321 592 C HA 0.647 5.107 4.460 -0.000 0.000 0.329 592 C C -0.049 174.710 174.990 -0.385 0.000 1.394 592 C CA -1.210 57.464 59.018 -0.574 0.000 1.291 592 C CB 0.794 28.328 27.740 -0.343 0.000 1.606 592 C HN 0.454 nan 8.230 nan 0.000 0.463 593 D N 1.214 121.544 120.400 -0.116 0.000 2.400 593 D HA 0.495 5.135 4.640 -0.000 0.000 0.238 593 D C 0.442 176.672 176.300 -0.117 0.000 1.157 593 D CA 1.136 55.138 54.000 0.004 0.000 0.889 593 D CB 0.844 41.715 40.800 0.120 0.000 1.199 593 D HN 1.119 nan 8.370 nan 0.000 0.436 594 S N 1.123 116.761 115.700 -0.102 0.000 2.720 594 S HA 0.310 4.780 4.470 -0.000 0.000 0.287 594 S C 0.367 174.817 174.600 -0.250 0.000 1.168 594 S CA -0.969 57.080 58.200 -0.251 0.000 0.832 594 S CB 0.146 63.327 63.200 -0.032 0.000 1.166 594 S HN 0.652 nan 8.310 nan 0.000 0.493 595 W N 0.310 121.559 121.300 -0.085 0.000 2.363 595 W HA 0.021 4.681 4.660 -0.000 0.000 0.296 595 W C 2.020 178.243 176.519 -0.494 0.000 1.212 595 W CA 1.040 58.184 57.345 -0.336 0.000 1.260 595 W CB -0.269 28.852 29.460 -0.565 0.000 1.131 595 W HN 0.709 nan 8.180 nan 0.000 0.530 596 H N -3.112 116.009 119.070 0.086 0.000 2.755 596 H HA 0.258 4.813 4.556 -0.000 0.000 0.273 596 H C -0.174 174.777 175.328 -0.629 0.000 1.055 596 H CA 0.547 56.454 56.048 -0.235 0.000 1.191 596 H CB 0.186 29.770 29.762 -0.297 0.000 1.536 596 H HN 0.104 nan 8.280 nan 0.000 0.529 597 H N 0.080 119.054 119.070 -0.159 0.000 2.996 597 H HA 0.223 4.779 4.556 -0.000 0.000 0.368 597 H C -2.521 172.757 175.328 -0.084 0.000 1.185 597 H CA -1.557 54.340 56.048 -0.253 0.000 1.160 597 H CB 3.100 32.457 29.762 -0.674 0.000 1.820 597 H HN 0.038 nan 8.280 nan 0.000 0.547 598 P HA -0.012 nan 4.420 nan 0.000 0.277 598 P C 0.087 177.495 177.300 0.179 0.000 1.271 598 P CA -0.342 62.824 63.100 0.110 0.000 0.795 598 P CB 0.956 32.711 31.700 0.091 0.000 1.101 599 H N 2.296 121.408 119.070 0.071 0.000 3.125 599 H HA -0.002 4.554 4.556 -0.000 0.000 0.310 599 H C -1.327 174.050 175.328 0.082 0.000 0.980 599 H CA -0.839 55.252 56.048 0.071 0.000 1.422 599 H CB 0.208 29.997 29.762 0.045 0.000 1.432 599 H HN 0.212 nan 8.280 nan 0.000 0.577 600 P HA -0.041 nan 4.420 nan 0.000 0.241 600 P C -0.111 177.304 177.300 0.192 0.000 1.191 600 P CA 0.196 63.413 63.100 0.195 0.000 0.771 600 P CB 0.358 32.107 31.700 0.082 0.000 0.929 601 K N -0.314 120.340 120.400 0.423 0.000 3.077 601 K HA -0.112 4.208 4.320 -0.000 0.000 0.264 601 K C 0.904 177.569 176.600 0.108 0.000 1.008 601 K CA 0.466 56.888 56.287 0.225 0.000 0.740 601 K CB -2.816 29.722 32.500 0.063 0.000 1.273 601 K HN 0.213 nan 8.250 nan 0.000 0.477 602 S N -0.668 115.097 115.700 0.108 0.000 2.414 602 S HA -0.037 4.433 4.470 -0.000 0.000 0.227 602 S C 1.452 176.119 174.600 0.112 0.000 1.022 602 S CA 0.553 58.681 58.200 -0.119 0.000 0.958 602 S CB -0.149 62.863 63.200 -0.313 0.000 0.797 602 S HN 0.412 nan 8.310 nan 0.000 0.493 603 Y N 2.543 122.957 120.300 0.190 0.000 2.165 603 Y HA -0.178 4.372 4.550 -0.000 0.000 0.286 603 Y C 2.598 178.538 175.900 0.067 0.000 1.155 603 Y CA 1.195 59.416 58.100 0.201 0.000 1.164 603 Y CB -0.568 37.985 38.460 0.155 0.000 0.978 603 Y HN 0.331 nan 8.280 nan 0.000 0.513 604 Q N -1.051 118.857 119.800 0.181 0.000 2.079 604 Q HA -0.165 4.175 4.340 -0.000 0.000 0.200 604 Q C 2.546 178.539 176.000 -0.011 0.000 0.974 604 Q CA 1.297 57.136 55.803 0.061 0.000 0.840 604 Q CB -0.350 28.406 28.738 0.031 0.000 0.898 604 Q HN 0.501 nan 8.270 nan 0.000 0.430 605 A N 0.189 122.962 122.820 -0.078 0.000 1.933 605 A HA -0.164 4.156 4.320 -0.000 0.000 0.218 605 A C 1.476 178.959 177.584 -0.168 0.000 1.175 605 A CA 0.904 52.831 52.037 -0.184 0.000 0.628 605 A CB -0.669 18.128 19.000 -0.339 0.000 0.814 605 A HN 0.492 nan 8.150 nan 0.000 0.444 606 W N -0.957 120.231 121.300 -0.187 0.000 2.800 606 W HA 0.259 4.919 4.660 -0.000 0.000 0.249 606 W C 1.547 177.889 176.519 -0.295 0.000 1.294 606 W CA 0.904 58.069 57.345 -0.299 0.000 1.402 606 W CB -0.751 28.447 29.460 -0.437 0.000 1.126 606 W HN 0.614 nan 8.180 nan 0.000 0.652 607 G N 0.974 109.764 108.800 -0.017 0.000 2.182 607 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.248 607 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.248 607 G C -0.416 174.416 174.900 -0.114 0.000 1.042 607 G CA 0.128 45.195 45.100 -0.056 0.000 0.775 607 G HN 0.001 nan 8.290 nan 0.000 0.501 608 V N 0.103 119.917 119.914 -0.167 0.000 2.483 608 V HA 0.462 4.582 4.120 -0.000 0.000 0.295 608 V C 0.498 176.610 176.094 0.030 0.000 1.035 608 V CA -0.595 61.559 62.300 -0.244 0.000 0.896 608 V CB 1.846 33.191 31.823 -0.797 0.000 0.986 608 V HN 0.430 nan 8.190 nan 0.000 0.447 609 D N 2.806 123.238 120.400 0.052 0.000 2.450 609 D HA 0.020 4.660 4.640 -0.000 0.000 0.247 609 D C 1.158 177.612 176.300 0.256 0.000 1.162 609 D CA 0.418 54.490 54.000 0.120 0.000 0.879 609 D CB 0.915 41.755 40.800 0.067 0.000 1.163 609 D HN 0.652 nan 8.370 nan 0.000 0.472 610 E N 1.479 121.785 120.200 0.177 0.000 2.153 610 E HA -0.145 4.205 4.350 -0.000 0.000 0.194 610 E C 1.407 178.004 176.600 -0.004 0.000 0.988 610 E CA 1.158 57.575 56.400 0.029 0.000 0.811 610 E CB 0.208 29.881 29.700 -0.045 0.000 0.746 610 E HN 0.532 nan 8.360 nan 0.000 0.466 611 T N 0.524 115.107 114.554 0.047 0.000 2.814 611 T HA -0.016 4.334 4.350 -0.000 0.000 0.254 611 T C 1.665 176.415 174.700 0.084 0.000 1.037 611 T CA 0.801 62.928 62.100 0.045 0.000 1.143 611 T CB 0.052 68.939 68.868 0.031 0.000 0.866 611 T HN 0.012 nan 8.240 nan 0.000 0.431 612 K N 0.398 120.854 120.400 0.093 0.000 2.314 612 K HA 0.314 4.634 4.320 -0.000 0.000 0.198 612 K C 1.416 178.089 176.600 0.121 0.000 1.045 612 K CA 0.357 56.696 56.287 0.086 0.000 0.988 612 K CB 0.009 32.541 32.500 0.053 0.000 0.783 612 K HN 0.410 nan 8.250 nan 0.000 0.484 613 G N 1.233 110.151 108.800 0.196 0.000 2.601 613 G HA2 -0.110 3.850 3.960 -0.000 0.000 0.261 613 G HA3 -0.110 3.850 3.960 -0.000 0.000 0.261 613 G C -0.349 174.592 174.900 0.069 0.000 1.289 613 G CA -0.341 44.899 45.100 0.234 0.000 0.920 613 G HN 0.605 nan 8.290 nan 0.000 0.571 614 A N -3.426 119.437 122.820 0.072 0.000 2.483 614 A HA 0.789 5.109 4.320 -0.000 0.000 0.294 614 A C -1.106 176.499 177.584 0.035 0.000 1.077 614 A CA 0.418 52.457 52.037 0.002 0.000 0.633 614 A CB 0.989 19.938 19.000 -0.085 0.000 1.318 614 A HN 2.124 nan 8.150 nan 0.000 0.455 615 V N 0.317 120.213 119.914 -0.029 0.000 2.531 615 V HA 0.636 4.756 4.120 -0.000 0.000 0.301 615 V C -0.851 175.239 176.094 -0.006 0.000 1.034 615 V CA -0.519 61.739 62.300 -0.070 0.000 0.865 615 V CB 1.554 33.258 31.823 -0.197 0.000 0.995 615 V HN 0.872 nan 8.190 nan 0.000 0.424 616 V N 5.253 125.170 119.914 0.005 0.000 2.531 616 V HA 0.487 4.607 4.120 -0.000 0.000 0.301 616 V C -0.224 175.828 176.094 -0.069 0.000 1.034 616 V CA -0.687 61.610 62.300 -0.004 0.000 0.865 616 V CB 2.088 33.975 31.823 0.107 0.000 0.995 616 V HN 0.604 nan 8.190 nan 0.000 0.424 617 V N 5.466 125.332 119.914 -0.080 0.000 2.509 617 V HA 0.537 4.657 4.120 -0.000 0.000 0.284 617 V C -0.092 175.954 176.094 -0.080 0.000 1.047 617 V CA -0.386 61.873 62.300 -0.067 0.000 0.952 617 V CB 1.757 33.455 31.823 -0.208 0.000 0.988 617 V HN 0.619 nan 8.190 nan 0.000 0.469 618 V N 5.153 125.047 119.914 -0.032 0.000 2.588 618 V HA 0.496 4.616 4.120 -0.000 0.000 0.304 618 V C 0.152 176.213 176.094 -0.055 0.000 1.042 618 V CA -1.000 61.255 62.300 -0.076 0.000 0.877 618 V CB 1.951 33.618 31.823 -0.259 0.000 0.996 618 V HN 0.846 nan 8.190 nan 0.000 0.425 619 R N 4.032 124.436 120.500 -0.158 0.000 2.726 619 R HA 0.235 4.575 4.340 -0.000 0.000 0.272 619 R C -1.660 174.108 176.300 -0.887 0.000 1.097 619 R CA -1.223 54.480 56.100 -0.663 0.000 1.198 619 R CB 0.195 30.201 30.300 -0.490 0.000 1.114 619 R HN 0.421 nan 8.270 nan 0.000 0.550 620 P HA -0.152 nan 4.420 nan 0.000 0.221 620 P C -0.070 176.716 177.300 -0.856 0.000 1.145 620 P CA 1.249 63.702 63.100 -1.078 0.000 0.795 620 P CB 0.089 31.076 31.700 -1.187 0.000 0.775 621 D N -2.098 117.716 120.400 -0.977 0.000 2.325 621 D HA 0.139 4.779 4.640 -0.000 0.000 0.225 621 D C 1.306 177.655 176.300 0.083 0.000 1.096 621 D CA 0.200 53.966 54.000 -0.390 0.000 0.844 621 D CB -1.016 39.699 40.800 -0.142 0.000 0.925 621 D HN 0.173 nan 8.370 nan 0.000 0.513 622 G N -0.516 108.234 108.800 -0.083 0.000 2.143 622 G HA2 -0.296 3.663 3.960 -0.000 0.000 0.249 622 G HA3 -0.296 3.663 3.960 -0.000 0.000 0.249 622 G C -0.400 174.452 174.900 -0.080 0.000 0.981 622 G CA -0.031 45.041 45.100 -0.047 0.000 0.665 622 G HN 0.380 nan 8.290 nan 0.000 0.528 623 Y N 1.121 121.441 120.300 0.033 0.000 2.308 623 Y HA 0.541 5.091 4.550 -0.000 0.000 0.329 623 Y C 1.355 177.306 175.900 0.085 0.000 1.111 623 Y CA -0.090 58.073 58.100 0.106 0.000 1.179 623 Y CB 1.319 39.904 38.460 0.208 0.000 1.201 623 Y HN 0.048 nan 8.280 nan 0.000 0.483 624 T N 2.042 116.725 114.554 0.215 0.000 2.888 624 T HA 0.113 4.463 4.350 -0.000 0.000 0.301 624 T C 0.820 175.596 174.700 0.126 0.000 1.001 624 T CA 0.253 62.447 62.100 0.157 0.000 1.147 624 T CB 0.379 69.354 68.868 0.178 0.000 0.931 624 T HN 0.813 nan 8.240 nan 0.000 0.541 625 S N 2.257 117.963 115.700 0.010 0.000 2.604 625 S HA 0.415 4.884 4.470 -0.000 0.000 0.235 625 S C -0.171 174.273 174.600 -0.261 0.000 1.043 625 S CA -0.538 57.625 58.200 -0.061 0.000 0.997 625 S CB 0.124 63.304 63.200 -0.033 0.000 0.956 625 S HN 0.440 nan 8.310 nan 0.000 0.535 626 L N 1.006 122.076 121.223 -0.256 0.000 2.592 626 L HA 0.674 5.014 4.340 -0.000 0.000 0.258 626 L C -2.113 174.682 176.870 -0.123 0.000 0.926 626 L CA -0.398 54.298 54.840 -0.239 0.000 0.885 626 L CB 2.131 43.925 42.059 -0.442 0.000 1.380 626 L HN 0.007 nan 8.230 nan 0.000 0.415 627 V N 3.677 123.548 119.914 -0.071 0.000 2.531 627 V HA 0.863 4.983 4.120 -0.000 0.000 0.301 627 V C -0.157 175.912 176.094 -0.041 0.000 1.034 627 V CA -0.044 62.229 62.300 -0.044 0.000 0.865 627 V CB 1.721 33.524 31.823 -0.033 0.000 0.995 627 V HN 0.927 nan 8.190 nan 0.000 0.424 628 T N 2.424 116.955 114.554 -0.038 0.000 2.618 628 T HA 0.529 4.879 4.350 -0.000 0.000 0.293 628 T C -1.738 172.937 174.700 -0.041 0.000 1.093 628 T CA -0.384 61.697 62.100 -0.032 0.000 1.061 628 T CB 1.875 70.732 68.868 -0.019 0.000 1.498 628 T HN 0.826 nan 8.240 nan 0.000 0.494 629 D N 0.207 120.584 120.400 -0.037 0.000 2.494 629 D HA 0.389 5.029 4.640 -0.000 0.000 0.259 629 D C 1.436 177.686 176.300 -0.084 0.000 1.109 629 D CA -0.775 53.195 54.000 -0.049 0.000 1.040 629 D CB 0.090 40.877 40.800 -0.023 0.000 1.175 629 D HN 0.431 nan 8.370 nan 0.000 0.584 630 L N -0.815 120.341 121.223 -0.111 0.000 2.265 630 L HA -0.121 4.219 4.340 -0.000 0.000 0.215 630 L C 1.559 178.471 176.870 0.070 0.000 1.117 630 L CA 1.322 56.062 54.840 -0.166 0.000 0.782 630 L CB -0.403 41.590 42.059 -0.109 0.000 0.914 630 L HN 0.388 nan 8.230 nan 0.000 0.441 631 E N -0.142 120.085 120.200 0.044 0.000 2.435 631 E HA -0.021 4.329 4.350 -0.000 0.000 0.195 631 E C 1.666 178.281 176.600 0.025 0.000 1.029 631 E CA 0.498 56.931 56.400 0.055 0.000 0.865 631 E CB -0.062 29.658 29.700 0.034 0.000 0.833 631 E HN 0.309 nan 8.360 nan 0.000 0.510 632 G N 0.987 109.798 108.800 0.018 0.000 3.452 632 G HA2 -0.072 3.888 3.960 -0.000 0.000 0.258 632 G HA3 -0.072 3.888 3.960 -0.000 0.000 0.258 632 G C 1.157 176.042 174.900 -0.025 0.000 1.305 632 G CA 0.498 45.598 45.100 0.000 0.000 1.514 632 G HN 0.307 nan 8.290 nan 0.000 0.593 633 T N -2.484 111.998 114.554 -0.120 0.000 2.867 633 T HA 0.007 4.357 4.350 -0.000 0.000 0.268 633 T C 2.541 177.103 174.700 -0.229 0.000 1.057 633 T CA 1.304 63.166 62.100 -0.396 0.000 1.136 633 T CB -0.048 68.234 68.868 -0.976 0.000 0.874 633 T HN 0.269 nan 8.240 nan 0.000 0.466 634 A N 1.897 124.659 122.820 -0.097 0.000 1.902 634 A HA -0.072 4.248 4.320 -0.000 0.000 0.217 634 A C 2.271 179.877 177.584 0.036 0.000 1.181 634 A CA 1.745 53.776 52.037 -0.009 0.000 0.623 634 A CB -0.730 18.273 19.000 0.006 0.000 0.818 634 A HN 0.531 nan 8.150 nan 0.000 0.443 635 E N 0.024 120.242 120.200 0.030 0.000 2.110 635 E HA -0.108 4.242 4.350 -0.000 0.000 0.193 635 E C 1.783 178.448 176.600 0.109 0.000 0.988 635 E CA 1.154 57.589 56.400 0.058 0.000 0.804 635 E CB -0.327 29.392 29.700 0.032 0.000 0.745 635 E HN 0.715 nan 8.360 nan 0.000 0.458 636 I N 0.975 121.617 120.570 0.119 0.000 2.252 636 I HA -0.253 3.917 4.170 -0.000 0.000 0.245 636 I C 1.645 177.985 176.117 0.372 0.000 1.102 636 I CA 1.043 62.494 61.300 0.252 0.000 1.385 636 I CB -0.239 37.922 38.000 0.268 0.000 1.064 636 I HN 0.070 nan 8.210 nan 0.000 0.414 637 D N 0.649 121.212 120.400 0.272 0.000 2.104 637 D HA -0.219 4.421 4.640 -0.000 0.000 0.194 637 D C 2.201 178.653 176.300 0.253 0.000 0.994 637 D CA 1.268 55.448 54.000 0.299 0.000 0.830 637 D CB -0.293 40.633 40.800 0.211 0.000 0.959 637 D HN 0.228 nan 8.370 nan 0.000 0.452 638 R N -0.600 120.003 120.500 0.173 0.000 2.091 638 R HA -0.212 4.128 4.340 -0.000 0.000 0.238 638 R C 2.429 178.784 176.300 0.093 0.000 1.136 638 R CA 1.179 57.351 56.100 0.119 0.000 0.959 638 R CB -0.479 29.876 30.300 0.092 0.000 0.856 638 R HN 0.220 nan 8.270 nan 0.000 0.437 639 Y N 0.197 120.485 120.300 -0.020 0.000 2.097 639 Y HA -0.235 4.315 4.550 -0.000 0.000 0.282 639 Y C 1.645 177.396 175.900 -0.247 0.000 1.152 639 Y CA 1.931 59.931 58.100 -0.165 0.000 1.136 639 Y CB -0.503 37.780 38.460 -0.295 0.000 0.975 639 Y HN 0.022 nan 8.280 nan 0.000 0.498 640 F N -0.370 119.511 119.950 -0.116 0.000 2.234 640 F HA -0.128 4.399 4.527 -0.000 0.000 0.299 640 F C 2.659 178.270 175.800 -0.316 0.000 1.087 640 F CA 1.538 59.324 58.000 -0.357 0.000 1.340 640 F CB -0.863 38.000 39.000 -0.228 0.000 1.031 640 F HN -0.050 nan 8.300 nan 0.000 0.500 641 S N -0.300 115.455 115.700 0.092 0.000 2.419 641 S HA -0.135 4.335 4.470 -0.000 0.000 0.233 641 S C 2.339 176.935 174.600 -0.007 0.000 1.016 641 S CA 1.188 59.457 58.200 0.115 0.000 0.974 641 S CB -0.819 62.461 63.200 0.134 0.000 0.786 641 S HN 0.494 nan 8.310 nan 0.000 0.492 642 G N -0.082 108.656 108.800 -0.105 0.000 2.813 642 G HA2 0.157 4.117 3.960 -0.000 0.000 0.209 642 G HA3 0.157 4.117 3.960 -0.000 0.000 0.209 642 G C 1.096 175.904 174.900 -0.154 0.000 1.150 642 G CA 0.171 45.200 45.100 -0.118 0.000 0.785 642 G HN 0.496 nan 8.290 nan 0.000 0.535 643 I N -0.813 119.621 120.570 -0.226 0.000 3.570 643 I HA 0.290 4.460 4.170 -0.000 0.000 0.270 643 I C 0.612 176.640 176.117 -0.148 0.000 1.162 643 I CA -0.040 61.142 61.300 -0.197 0.000 1.413 643 I CB 0.170 37.979 38.000 -0.318 0.000 1.437 643 I HN -0.101 nan 8.210 nan 0.000 0.457 644 L N 1.332 122.393 121.223 -0.270 0.000 2.399 644 L HA 0.409 4.749 4.340 -0.000 0.000 0.265 644 L C -0.577 176.245 176.870 -0.081 0.000 1.089 644 L CA -0.647 54.017 54.840 -0.293 0.000 0.802 644 L CB 1.708 43.300 42.059 -0.779 0.000 1.180 644 L HN -0.179 nan 8.230 nan 0.000 0.454 645 V N 1.099 121.045 119.914 0.052 0.000 2.398 645 V HA 0.183 4.303 4.120 -0.000 0.000 0.286 645 V C 0.061 176.316 176.094 0.269 0.000 1.026 645 V CA -0.750 61.641 62.300 0.153 0.000 0.868 645 V CB 1.479 33.354 31.823 0.087 0.000 0.982 645 V HN 0.689 nan 8.190 nan 0.000 0.443 646 E N 5.715 126.075 120.200 0.265 0.000 2.414 646 E HA 0.149 4.499 4.350 -0.000 0.000 0.263 646 E C -2.192 174.457 176.600 0.081 0.000 1.000 646 E CA -1.209 55.271 56.400 0.133 0.000 0.914 646 E CB 0.580 30.267 29.700 -0.021 0.000 0.948 646 E HN 0.485 nan 8.360 nan 0.000 0.444 647 P HA -0.030 nan 4.420 nan 0.000 0.270 647 P C 0.078 177.382 177.300 0.007 0.000 1.223 647 P CA -0.018 63.103 63.100 0.035 0.000 0.785 647 P CB 0.639 32.353 31.700 0.022 0.000 0.923 648 K N 0.261 120.666 120.400 0.008 0.000 2.097 648 K HA -0.067 4.253 4.320 -0.000 0.000 0.206 648 K C 0.286 176.877 176.600 -0.015 0.000 1.049 648 K CA 1.294 57.580 56.287 -0.002 0.000 0.933 648 K CB 0.074 32.575 32.500 0.003 0.000 0.717 648 K HN 0.554 nan 8.250 nan 0.000 0.442 649 E N 1.438 121.628 120.200 -0.017 0.000 2.216 649 E HA 0.214 4.564 4.350 -0.000 0.000 0.260 649 E C -1.142 175.434 176.600 -0.039 0.000 0.880 649 E CA -0.387 55.995 56.400 -0.029 0.000 0.765 649 E CB 1.932 31.619 29.700 -0.023 0.000 1.174 649 E HN 0.041 nan 8.360 nan 0.000 0.417 650 K N 0.709 121.075 120.400 -0.058 0.000 2.090 650 K HA 0.212 4.532 4.320 -0.000 0.000 0.249 650 K C 1.157 177.709 176.600 -0.079 0.000 0.995 650 K CA -0.379 55.860 56.287 -0.079 0.000 0.914 650 K CB 1.263 33.692 32.500 -0.118 0.000 1.057 650 K HN 0.271 nan 8.250 nan 0.000 0.462 651 S N 0.808 116.455 115.700 -0.088 0.000 2.382 651 S HA -0.037 4.433 4.470 -0.000 0.000 0.228 651 S C 0.944 175.486 174.600 -0.097 0.000 1.027 651 S CA 1.509 59.657 58.200 -0.088 0.000 0.991 651 S CB -0.656 62.487 63.200 -0.096 0.000 0.823 651 S HN 0.942 nan 8.310 nan 0.000 0.469 652 G N 0.225 108.956 108.800 -0.115 0.000 2.750 652 G HA2 0.048 4.008 3.960 -0.000 0.000 0.228 652 G HA3 0.048 4.008 3.960 -0.000 0.000 0.228 652 G C 0.019 174.844 174.900 -0.124 0.000 1.367 652 G CA -0.407 44.624 45.100 -0.115 0.000 0.871 652 G HN 1.325 nan 8.290 nan 0.000 0.560 653 A N -0.234 122.517 122.820 -0.115 0.000 2.531 653 A HA 0.509 4.829 4.320 -0.000 0.000 0.236 653 A C 0.849 178.367 177.584 -0.110 0.000 1.062 653 A CA 1.539 53.504 52.037 -0.119 0.000 0.760 653 A CB 0.552 19.493 19.000 -0.099 0.000 0.995 653 A HN 1.770 nan 8.150 nan 0.000 0.501 654 Q N 1.164 120.892 119.800 -0.120 0.000 2.286 654 Q HA 0.283 4.623 4.340 -0.000 0.000 0.267 654 Q C 0.826 176.773 176.000 -0.087 0.000 1.028 654 Q CA 1.194 56.932 55.803 -0.108 0.000 0.901 654 Q CB 0.484 29.152 28.738 -0.117 0.000 1.183 654 Q HN 0.762 nan 8.270 nan 0.000 0.392 655 T N -0.088 114.418 114.554 -0.079 0.000 2.985 655 T HA 0.186 4.536 4.350 -0.000 0.000 0.254 655 T C 0.429 175.095 174.700 -0.057 0.000 1.021 655 T CA -0.087 61.975 62.100 -0.063 0.000 0.957 655 T CB -0.009 68.824 68.868 -0.058 0.000 1.047 655 T HN 0.642 nan 8.240 nan 0.000 0.511 656 E N 1.614 121.773 120.200 -0.067 0.000 2.413 656 E HA 0.435 4.785 4.350 -0.000 0.000 0.263 656 E C 0.114 176.689 176.600 -0.042 0.000 1.015 656 E CA -0.405 55.957 56.400 -0.063 0.000 0.916 656 E CB 0.569 30.214 29.700 -0.091 0.000 0.947 656 E HN 0.498 nan 8.360 nan 0.000 0.440 657 A N 4.009 126.812 122.820 -0.029 0.000 2.351 657 A HA 0.038 4.358 4.320 -0.000 0.000 0.257 657 A C -0.016 177.569 177.584 0.001 0.000 1.087 657 A CA -0.398 51.630 52.037 -0.016 0.000 0.798 657 A CB 0.497 19.491 19.000 -0.010 0.000 1.033 657 A HN 0.797 nan 8.150 nan 0.000 0.488 658 D N 2.572 122.963 120.400 -0.016 0.000 2.402 658 D HA -0.081 4.559 4.640 -0.000 0.000 0.268 658 D C 1.368 177.636 176.300 -0.054 0.000 1.294 658 D CA -0.168 53.802 54.000 -0.050 0.000 0.945 658 D CB 0.160 40.906 40.800 -0.091 0.000 1.112 658 D HN 0.622 nan 8.370 nan 0.000 0.517 659 W N 3.372 124.594 121.300 -0.130 0.000 2.468 659 W HA -0.156 4.504 4.660 -0.000 0.000 0.262 659 W C 1.040 177.542 176.519 -0.029 0.000 1.241 659 W CA 1.197 58.461 57.345 -0.136 0.000 1.232 659 W CB -1.569 27.691 29.460 -0.334 0.000 1.124 659 W HN 0.417 nan 8.180 nan 0.000 0.597 660 T N -1.532 112.606 114.554 -0.694 0.000 3.067 660 T HA 0.000 4.350 4.350 -0.000 0.000 0.261 660 T C 1.562 176.100 174.700 -0.269 0.000 1.110 660 T CA 0.633 62.366 62.100 -0.612 0.000 1.113 660 T CB -0.119 68.321 68.868 -0.713 0.000 0.917 660 T HN -0.101 nan 8.240 nan 0.000 0.499 661 K N 2.082 122.376 120.400 -0.176 0.000 2.262 661 K HA 0.185 4.504 4.320 -0.000 0.000 0.200 661 K C 1.528 178.108 176.600 -0.034 0.000 1.049 661 K CA 0.634 56.860 56.287 -0.103 0.000 0.979 661 K CB -0.466 31.984 32.500 -0.082 0.000 0.773 661 K HN 0.673 nan 8.250 nan 0.000 0.474 662 S N 0.000 115.708 115.700 0.014 0.000 2.498 662 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 662 S CA 0.000 58.240 58.200 0.067 0.000 1.107 662 S CB 0.000 63.294 63.200 0.156 0.000 0.593 662 S HN 0.000 nan 8.310 nan 0.000 0.517