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 2fkf_1_A DATA FIRST_RESID 9 DATA SEQUENCE LPASIFRAYD IRGVVGDTLT AETAYWIGRA IGSESLARGE PCVAVGRDGR DATA SEQUENCE LSGPELVKQL IQGLVDCGCQ VSDVGMVPTP VLYYAANVLE GKSGVMLTGX DATA SEQUENCE HNPPDYNGFK IVVAGETLAN EQIQALRERI EKNDLASGVG SVEQVDILPR DATA SEQUENCE YFKQIRDDIA MAKPMKVVVD CGNGVAGVIA PQLIEALGCS VIPLYCEVDG DATA SEQUENCE NFPNHHPDPG KPENLKDLIA KVKAENADLG LAFDGDGDRV GVVTNTGTII DATA SEQUENCE YPDRLLMLFA KDVVSRNPGA DIIFDVKCTR RLIALISGYG GRPVMWKTGH DATA SEQUENCE SLIKKKMKET GALLAGEMSG HVFFKERWFG FDDGIYSAAR LLEILSQDQR DATA SEQUENCE DSEHVFSAFP SDISTPEINI TVTEDSKFAI IEALQRDAQW GEGNITTLDG DATA SEQUENCE VRVDYPKGWG LVRASNTTPV LVLRFEADTE EELERIKTVF RNQLKAVDSS DATA SEQUENCE LPVPF 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 9 L HA 0.000 nan 4.340 nan 0.000 0.249 9 L C 0.000 176.962 176.870 0.154 0.000 1.165 9 L CA 0.000 54.926 54.840 0.144 0.000 0.813 9 L CB 0.000 42.208 42.059 0.248 0.000 0.961 10 P HA 0.555 nan 4.420 nan 0.000 0.276 10 P C 0.951 178.399 177.300 0.246 0.000 1.243 10 P CA 0.473 63.666 63.100 0.155 0.000 0.768 10 P CB 1.623 33.392 31.700 0.115 0.000 0.856 11 A N 3.436 126.359 122.820 0.172 0.000 2.024 11 A HA -0.185 4.134 4.320 -0.001 0.000 0.220 11 A C 2.184 179.916 177.584 0.247 0.000 1.164 11 A CA 1.961 54.112 52.037 0.190 0.000 0.643 11 A CB -1.173 17.869 19.000 0.070 0.000 0.806 11 A HN 0.672 nan 8.150 nan 0.000 0.451 12 S N 0.620 116.423 115.700 0.172 0.000 2.423 12 S HA -0.147 4.323 4.470 -0.001 0.000 0.231 12 S C 1.814 176.491 174.600 0.129 0.000 1.014 12 S CA 1.171 59.451 58.200 0.133 0.000 0.965 12 S CB -0.948 62.309 63.200 0.094 0.000 0.785 12 S HN 0.889 nan 8.310 nan 0.000 0.495 13 I N -2.733 117.911 120.570 0.124 0.000 2.761 13 I HA 0.272 4.442 4.170 -0.001 0.000 0.261 13 I C -0.109 175.952 176.117 -0.094 0.000 1.198 13 I CA 0.232 61.528 61.300 -0.008 0.000 1.482 13 I CB -0.508 37.429 38.000 -0.105 0.000 1.100 13 I HN 0.028 nan 8.210 nan 0.000 0.445 14 F N 3.949 123.936 119.950 0.063 0.000 2.462 14 F HA 0.416 4.942 4.527 -0.000 0.000 0.354 14 F C 0.972 176.791 175.800 0.032 0.000 1.192 14 F CA -0.343 57.687 58.000 0.050 0.000 1.173 14 F CB 0.075 39.093 39.000 0.029 0.000 1.402 14 F HN -0.055 nan 8.300 nan 0.000 0.595 15 R N 1.098 121.675 120.500 0.127 0.000 2.602 15 R HA 0.632 4.971 4.340 -0.001 0.000 0.237 15 R C 1.317 177.598 176.300 -0.031 0.000 1.219 15 R CA -0.270 55.856 56.100 0.045 0.000 1.121 15 R CB 0.303 30.621 30.300 0.029 0.000 1.408 15 R HN 0.548 nan 8.270 nan 0.000 0.559 16 A N 0.377 123.060 122.820 -0.228 0.000 1.877 16 A HA -0.147 4.172 4.320 -0.001 0.000 0.216 16 A C 0.934 178.286 177.584 -0.386 0.000 1.186 16 A CA 1.526 53.265 52.037 -0.495 0.000 0.620 16 A CB -0.343 18.015 19.000 -1.072 0.000 0.822 16 A HN 0.668 nan 8.150 nan 0.000 0.443 17 Y N -0.419 119.939 120.300 0.098 0.000 2.588 17 Y HA 0.338 4.888 4.550 -0.001 0.000 0.247 17 Y C -0.166 175.856 175.900 0.203 0.000 1.157 17 Y CA -1.009 57.138 58.100 0.078 0.000 1.215 17 Y CB 0.191 38.649 38.460 -0.004 0.000 1.245 17 Y HN 0.561 nan 8.280 nan 0.000 0.534 18 D N -1.291 119.263 120.400 0.257 0.000 2.879 18 D HA 0.298 4.938 4.640 -0.001 0.000 0.346 18 D C -1.160 175.235 176.300 0.158 0.000 1.390 18 D CA -0.600 53.549 54.000 0.249 0.000 0.838 18 D CB 0.660 41.632 40.800 0.286 0.000 1.416 18 D HN -0.086 nan 8.370 nan 0.000 0.493 19 I N -0.742 119.923 120.570 0.159 0.000 2.441 19 I HA 0.675 4.845 4.170 -0.001 0.000 0.295 19 I C -0.523 175.661 176.117 0.113 0.000 0.994 19 I CA -0.785 60.556 61.300 0.069 0.000 1.144 19 I CB 1.759 39.761 38.000 0.004 0.000 1.314 19 I HN 0.329 nan 8.210 nan 0.000 0.445 20 R N 3.523 124.056 120.500 0.055 0.000 2.535 20 R HA 0.777 5.117 4.340 -0.001 0.000 0.274 20 R C -1.169 175.170 176.300 0.065 0.000 1.090 20 R CA -0.399 55.745 56.100 0.074 0.000 0.930 20 R CB 2.046 32.405 30.300 0.099 0.000 1.223 20 R HN 0.840 nan 8.270 nan 0.000 0.441 21 G N 0.708 109.539 108.800 0.051 0.000 2.645 21 G HA2 0.586 4.545 3.960 -0.001 0.000 0.292 21 G HA3 0.586 4.545 3.960 -0.001 0.000 0.292 21 G C -1.583 173.217 174.900 -0.167 0.000 1.415 21 G CA -0.166 44.922 45.100 -0.020 0.000 0.785 21 G HN 0.708 nan 8.290 nan 0.000 0.483 22 V N 0.421 120.171 119.914 -0.274 0.000 2.383 22 V HA 0.542 4.661 4.120 -0.001 0.000 0.275 22 V C 1.326 177.309 176.094 -0.186 0.000 1.036 22 V CA -0.369 61.687 62.300 -0.406 0.000 0.889 22 V CB 1.339 32.880 31.823 -0.470 0.000 0.985 22 V HN 0.690 nan 8.190 nan 0.000 0.459 23 V N 4.729 124.556 119.914 -0.144 0.000 2.490 23 V HA -0.162 3.958 4.120 -0.001 0.000 0.250 23 V C 2.527 178.593 176.094 -0.046 0.000 1.061 23 V CA 2.719 64.979 62.300 -0.066 0.000 1.064 23 V CB -0.693 31.101 31.823 -0.049 0.000 0.670 23 V HN 1.050 nan 8.190 nan 0.000 0.461 24 G N -0.870 107.894 108.800 -0.061 0.000 2.448 24 G HA2 -0.216 3.744 3.960 -0.001 0.000 0.218 24 G HA3 -0.216 3.744 3.960 -0.001 0.000 0.218 24 G C 1.214 176.096 174.900 -0.030 0.000 1.135 24 G CA 1.164 46.241 45.100 -0.038 0.000 0.784 24 G HN 0.591 nan 8.290 nan 0.000 0.543 25 D N -0.637 119.734 120.400 -0.047 0.000 3.136 25 D HA -0.032 4.607 4.640 -0.001 0.000 0.254 25 D C 2.516 178.807 176.300 -0.015 0.000 1.563 25 D CA 1.564 55.544 54.000 -0.034 0.000 1.225 25 D CB -0.356 40.411 40.800 -0.055 0.000 1.079 25 D HN 0.103 nan 8.370 nan 0.000 0.314 26 T N -1.272 113.265 114.554 -0.029 0.000 3.065 26 T HA 0.200 4.549 4.350 -0.001 0.000 0.252 26 T C 0.426 175.139 174.700 0.022 0.000 1.099 26 T CA -0.188 61.914 62.100 0.002 0.000 1.063 26 T CB 0.284 69.150 68.868 -0.003 0.000 0.948 26 T HN 0.079 nan 8.240 nan 0.000 0.506 27 L N 3.271 124.500 121.223 0.009 0.000 2.388 27 L HA 0.558 4.897 4.340 -0.001 0.000 0.267 27 L C -0.135 176.766 176.870 0.053 0.000 0.995 27 L CA -0.395 54.472 54.840 0.045 0.000 0.864 27 L CB 1.257 43.334 42.059 0.030 0.000 1.216 27 L HN 0.339 nan 8.230 nan 0.000 0.430 28 T N 0.908 115.513 114.554 0.085 0.000 2.923 28 T HA 0.694 5.044 4.350 -0.001 0.000 0.281 28 T C 1.281 176.043 174.700 0.104 0.000 0.995 28 T CA -0.162 61.986 62.100 0.080 0.000 0.985 28 T CB 1.409 70.329 68.868 0.086 0.000 1.114 28 T HN 0.561 nan 8.240 nan 0.000 0.548 29 A N 0.412 123.280 122.820 0.080 0.000 1.908 29 A HA 0.058 4.377 4.320 -0.001 0.000 0.218 29 A C 2.594 180.244 177.584 0.109 0.000 1.181 29 A CA 2.303 54.389 52.037 0.082 0.000 0.627 29 A CB -1.866 17.160 19.000 0.043 0.000 0.818 29 A HN 1.168 nan 8.150 nan 0.000 0.445 30 E N -0.860 119.410 120.200 0.116 0.000 2.058 30 E HA -0.187 4.163 4.350 -0.001 0.000 0.194 30 E C 2.035 178.813 176.600 0.298 0.000 0.997 30 E CA 2.076 58.577 56.400 0.169 0.000 0.801 30 E CB -1.733 28.093 29.700 0.209 0.000 0.746 30 E HN 0.637 nan 8.360 nan 0.000 0.450 31 T N 0.228 114.948 114.554 0.276 0.000 2.708 31 T HA 0.038 4.388 4.350 -0.001 0.000 0.266 31 T C 2.388 177.226 174.700 0.229 0.000 1.037 31 T CA 1.793 64.070 62.100 0.296 0.000 1.146 31 T CB -0.519 68.474 68.868 0.209 0.000 0.865 31 T HN 0.626 nan 8.240 nan 0.000 0.435 32 A N 0.564 123.509 122.820 0.209 0.000 1.940 32 A HA -0.147 4.173 4.320 -0.001 0.000 0.219 32 A C 2.076 179.710 177.584 0.083 0.000 1.176 32 A CA 1.794 53.958 52.037 0.213 0.000 0.631 32 A CB -1.046 18.143 19.000 0.316 0.000 0.814 32 A HN 0.639 nan 8.150 nan 0.000 0.446 33 Y N -1.122 119.143 120.300 -0.058 0.000 2.114 33 Y HA -0.249 4.300 4.550 -0.001 0.000 0.284 33 Y C 2.101 177.848 175.900 -0.256 0.000 1.143 33 Y CA 1.979 59.941 58.100 -0.230 0.000 1.135 33 Y CB -0.531 37.673 38.460 -0.426 0.000 0.980 33 Y HN 0.439 nan 8.280 nan 0.000 0.499 34 W N 0.172 121.497 121.300 0.042 0.000 2.402 34 W HA -0.111 4.549 4.660 -0.000 0.000 0.286 34 W C 2.241 178.688 176.519 -0.120 0.000 1.221 34 W CA 0.947 58.263 57.345 -0.048 0.000 1.257 34 W CB -0.287 29.231 29.460 0.098 0.000 1.120 34 W HN 0.061 nan 8.180 nan 0.000 0.551 35 I N 0.171 120.767 120.570 0.043 0.000 2.179 35 I HA -0.196 3.974 4.170 -0.001 0.000 0.242 35 I C 2.748 178.734 176.117 -0.218 0.000 1.088 35 I CA 1.598 62.813 61.300 -0.143 0.000 1.357 35 I CB -1.126 36.558 38.000 -0.525 0.000 1.051 35 I HN 0.065 nan 8.210 nan 0.000 0.409 36 G N 0.432 109.078 108.800 -0.257 0.000 2.440 36 G HA2 -0.316 3.644 3.960 -0.001 0.000 0.218 36 G HA3 -0.316 3.644 3.960 -0.001 0.000 0.218 36 G C 1.742 176.507 174.900 -0.224 0.000 1.154 36 G CA 0.788 45.754 45.100 -0.224 0.000 0.767 36 G HN 0.184 nan 8.290 nan 0.000 0.552 37 R N 0.804 121.119 120.500 -0.308 0.000 2.081 37 R HA 0.102 4.442 4.340 -0.001 0.000 0.235 37 R C 2.845 179.114 176.300 -0.053 0.000 1.131 37 R CA 1.689 57.661 56.100 -0.213 0.000 0.960 37 R CB -0.681 29.496 30.300 -0.206 0.000 0.856 37 R HN 0.279 nan 8.270 nan 0.000 0.436 38 A N 0.040 122.854 122.820 -0.009 0.000 1.898 38 A HA -0.064 4.255 4.320 -0.001 0.000 0.216 38 A C 2.224 179.803 177.584 -0.008 0.000 1.181 38 A CA 1.384 53.429 52.037 0.014 0.000 0.620 38 A CB -0.506 18.521 19.000 0.044 0.000 0.819 38 A HN 0.318 nan 8.150 nan 0.000 0.442 39 I N -0.263 120.287 120.570 -0.032 0.000 2.179 39 I HA -0.201 3.968 4.170 -0.001 0.000 0.242 39 I C 2.729 178.833 176.117 -0.021 0.000 1.088 39 I CA 1.187 62.473 61.300 -0.024 0.000 1.357 39 I CB -0.636 37.341 38.000 -0.039 0.000 1.051 39 I HN 0.394 nan 8.210 nan 0.000 0.409 40 G N 0.009 108.785 108.800 -0.040 0.000 2.440 40 G HA2 -0.240 3.720 3.960 -0.001 0.000 0.218 40 G HA3 -0.240 3.720 3.960 -0.001 0.000 0.218 40 G C 1.754 176.642 174.900 -0.019 0.000 1.154 40 G CA 1.032 46.112 45.100 -0.033 0.000 0.767 40 G HN 0.372 nan 8.290 nan 0.000 0.552 41 S N 0.546 116.236 115.700 -0.016 0.000 2.370 41 S HA -0.119 4.350 4.470 -0.001 0.000 0.226 41 S C 2.177 176.776 174.600 -0.002 0.000 1.033 41 S CA 1.627 59.824 58.200 -0.004 0.000 1.011 41 S CB -0.185 63.017 63.200 0.005 0.000 0.852 41 S HN 0.513 nan 8.310 nan 0.000 0.457 42 E N 1.430 121.629 120.200 -0.001 0.000 2.107 42 E HA -0.021 4.328 4.350 -0.001 0.000 0.191 42 E C 2.138 178.739 176.600 0.002 0.000 0.982 42 E CA 1.092 57.493 56.400 0.002 0.000 0.809 42 E CB -0.526 29.178 29.700 0.007 0.000 0.756 42 E HN 0.286 nan 8.360 nan 0.000 0.459 43 S N -0.603 115.098 115.700 0.000 0.000 2.356 43 S HA -0.090 4.379 4.470 -0.001 0.000 0.223 43 S C 1.846 176.444 174.600 -0.002 0.000 1.032 43 S CA 1.242 59.441 58.200 -0.000 0.000 1.005 43 S CB -0.320 62.879 63.200 -0.002 0.000 0.867 43 S HN 0.344 nan 8.310 nan 0.000 0.449 44 L N 1.047 122.268 121.223 -0.004 0.000 2.083 44 L HA -0.076 4.264 4.340 -0.001 0.000 0.209 44 L C 2.807 179.675 176.870 -0.002 0.000 1.083 44 L CA 1.210 56.047 54.840 -0.003 0.000 0.752 44 L CB -0.606 41.450 42.059 -0.003 0.000 0.899 44 L HN 0.367 nan 8.230 nan 0.000 0.433 45 A N 0.032 122.851 122.820 -0.002 0.000 2.019 45 A HA -0.145 4.175 4.320 -0.001 0.000 0.219 45 A C 2.163 179.746 177.584 -0.002 0.000 1.164 45 A CA 1.216 53.252 52.037 -0.001 0.000 0.644 45 A CB -0.376 18.623 19.000 -0.001 0.000 0.805 45 A HN 0.385 nan 8.150 nan 0.000 0.449 46 R N -1.367 119.133 120.500 -0.001 0.000 2.388 46 R HA 0.263 4.603 4.340 -0.001 0.000 0.247 46 R C 1.020 177.318 176.300 -0.003 0.000 0.931 46 R CA 0.455 56.554 56.100 -0.002 0.000 1.082 46 R CB 0.009 30.309 30.300 -0.001 0.000 1.135 46 R HN 0.622 nan 8.270 nan 0.000 0.525 47 G N 1.814 110.612 108.800 -0.003 0.000 2.143 47 G HA2 -0.282 3.677 3.960 -0.001 0.000 0.249 47 G HA3 -0.282 3.677 3.960 -0.001 0.000 0.249 47 G C -0.216 174.681 174.900 -0.005 0.000 0.981 47 G CA 0.143 45.240 45.100 -0.004 0.000 0.665 47 G HN 0.327 nan 8.290 nan 0.000 0.528 48 E N 0.645 120.842 120.200 -0.005 0.000 2.183 48 E HA 0.544 4.894 4.350 -0.001 0.000 0.250 48 E C -0.998 175.598 176.600 -0.007 0.000 0.901 48 E CA -2.328 54.068 56.400 -0.006 0.000 0.741 48 E CB 1.454 31.150 29.700 -0.006 0.000 1.182 48 E HN 0.140 nan 8.360 nan 0.000 0.425 49 P HA 0.032 nan 4.420 nan 0.000 0.231 49 P C -0.172 177.122 177.300 -0.010 0.000 1.168 49 P CA 0.013 63.108 63.100 -0.008 0.000 0.779 49 P CB 0.269 31.965 31.700 -0.007 0.000 0.844 50 C N 1.247 120.541 119.300 -0.011 0.000 2.285 50 C HA 0.505 4.964 4.460 -0.001 0.000 0.335 50 C C 0.299 175.280 174.990 -0.014 0.000 1.267 50 C CA -0.411 58.599 59.018 -0.013 0.000 1.762 50 C CB 0.459 28.189 27.740 -0.017 0.000 2.365 50 C HN -0.001 nan 8.230 nan 0.000 0.527 51 V N 3.537 123.443 119.914 -0.012 0.000 2.525 51 V HA 0.653 4.772 4.120 -0.001 0.000 0.299 51 V C 0.369 176.458 176.094 -0.009 0.000 1.034 51 V CA -0.410 61.885 62.300 -0.008 0.000 0.863 51 V CB 1.496 33.317 31.823 -0.003 0.000 0.999 51 V HN 1.018 nan 8.190 nan 0.000 0.423 52 A N 4.482 127.296 122.820 -0.011 0.000 2.388 52 A HA 0.780 5.099 4.320 -0.001 0.000 0.257 52 A C -0.427 177.156 177.584 -0.000 0.000 1.095 52 A CA -0.278 51.751 52.037 -0.014 0.000 0.791 52 A CB 0.824 19.807 19.000 -0.029 0.000 1.029 52 A HN 0.815 nan 8.150 nan 0.000 0.489 53 V N 1.615 121.527 119.914 -0.003 0.000 2.577 53 V HA 0.727 4.846 4.120 -0.001 0.000 0.303 53 V C 0.530 176.616 176.094 -0.013 0.000 1.042 53 V CA 0.105 62.409 62.300 0.006 0.000 0.872 53 V CB 1.775 33.608 31.823 0.018 0.000 0.998 53 V HN 1.315 nan 8.190 nan 0.000 0.423 54 G N 3.871 112.656 108.800 -0.025 0.000 2.605 54 G HA2 0.867 4.826 3.960 -0.001 0.000 0.296 54 G HA3 0.867 4.826 3.960 -0.001 0.000 0.296 54 G C -1.145 173.721 174.900 -0.055 0.000 1.304 54 G CA -0.945 44.124 45.100 -0.051 0.000 0.941 54 G HN 0.842 nan 8.290 nan 0.000 0.475 55 R N -0.401 120.061 120.500 -0.064 0.000 2.808 55 R HA 0.673 5.013 4.340 -0.001 0.000 0.272 55 R C -1.021 175.236 176.300 -0.071 0.000 0.995 55 R CA -0.884 55.173 56.100 -0.071 0.000 0.917 55 R CB 1.658 31.922 30.300 -0.061 0.000 1.217 55 R HN 0.543 nan 8.270 nan 0.000 0.471 56 D N 0.411 120.772 120.400 -0.065 0.000 2.469 56 D HA 0.161 4.801 4.640 -0.001 0.000 0.278 56 D C 0.759 177.040 176.300 -0.030 0.000 1.231 56 D CA -0.474 53.502 54.000 -0.039 0.000 1.075 56 D CB 0.054 40.848 40.800 -0.011 0.000 1.121 56 D HN 0.680 nan 8.370 nan 0.000 0.571 57 G N -1.236 107.559 108.800 -0.008 0.000 3.383 57 G HA2 0.061 4.021 3.960 -0.001 0.000 0.251 57 G HA3 0.061 4.021 3.960 -0.001 0.000 0.251 57 G C 0.417 175.267 174.900 -0.083 0.000 1.203 57 G CA -0.443 44.632 45.100 -0.042 0.000 0.852 57 G HN 0.201 nan 8.290 nan 0.000 0.531 58 R N -0.451 120.021 120.500 -0.047 0.000 2.679 58 R HA 0.287 4.626 4.340 -0.001 0.000 0.269 58 R C 1.262 177.513 176.300 -0.082 0.000 1.076 58 R CA -0.520 55.544 56.100 -0.061 0.000 1.160 58 R CB 0.880 31.186 30.300 0.010 0.000 1.054 58 R HN 0.096 nan 8.270 nan 0.000 0.507 59 L N 0.868 122.037 121.223 -0.091 0.000 2.191 59 L HA -0.172 4.168 4.340 -0.001 0.000 0.212 59 L C 2.067 178.907 176.870 -0.051 0.000 1.103 59 L CA 1.457 56.251 54.840 -0.076 0.000 0.769 59 L CB -0.328 41.687 42.059 -0.073 0.000 0.908 59 L HN 0.731 nan 8.230 nan 0.000 0.438 60 S N -0.894 114.781 115.700 -0.042 0.000 2.593 60 S HA 0.044 4.514 4.470 -0.001 0.000 0.217 60 S C 1.959 176.534 174.600 -0.041 0.000 0.966 60 S CA 0.254 58.433 58.200 -0.036 0.000 0.914 60 S CB -0.086 63.094 63.200 -0.034 0.000 0.776 60 S HN 0.378 nan 8.310 nan 0.000 0.523 61 G N 3.357 112.127 108.800 -0.049 0.000 2.553 61 G HA2 -0.161 3.799 3.960 -0.001 0.000 0.218 61 G HA3 -0.161 3.799 3.960 -0.001 0.000 0.218 61 G C -0.654 174.224 174.900 -0.037 0.000 1.195 61 G CA 1.138 46.206 45.100 -0.053 0.000 0.779 61 G HN 0.509 nan 8.290 nan 0.000 0.577 62 P HA -0.026 nan 4.420 nan 0.000 0.213 62 P C 2.111 179.405 177.300 -0.011 0.000 1.170 62 P CA 2.822 65.909 63.100 -0.021 0.000 0.902 62 P CB -0.381 31.305 31.700 -0.023 0.000 0.789 63 E N -0.037 120.156 120.200 -0.011 0.000 2.085 63 E HA -0.176 4.174 4.350 -0.001 0.000 0.194 63 E C 2.065 178.673 176.600 0.014 0.000 0.994 63 E CA 1.504 57.904 56.400 -0.001 0.000 0.801 63 E CB -1.645 28.053 29.700 -0.003 0.000 0.743 63 E HN 0.183 nan 8.360 nan 0.000 0.453 64 L N -0.358 120.872 121.223 0.010 0.000 2.095 64 L HA -0.023 4.316 4.340 -0.001 0.000 0.204 64 L C 2.791 179.695 176.870 0.058 0.000 1.080 64 L CA 0.979 55.842 54.840 0.037 0.000 0.759 64 L CB -0.287 41.771 42.059 -0.001 0.000 0.914 64 L HN 0.327 nan 8.230 nan 0.000 0.439 65 V N 0.902 120.831 119.914 0.024 0.000 2.407 65 V HA -0.318 3.802 4.120 -0.001 0.000 0.248 65 V C 3.036 179.157 176.094 0.045 0.000 1.055 65 V CA 2.440 64.760 62.300 0.035 0.000 1.049 65 V CB -0.349 31.475 31.823 0.003 0.000 0.662 65 V HN 0.523 nan 8.190 nan 0.000 0.455 66 K N -1.341 119.078 120.400 0.032 0.000 2.103 66 K HA -0.242 4.078 4.320 -0.001 0.000 0.207 66 K C 1.896 178.527 176.600 0.053 0.000 1.048 66 K CA 1.833 58.139 56.287 0.031 0.000 0.930 66 K CB -0.658 31.852 32.500 0.017 0.000 0.716 66 K HN 0.611 nan 8.250 nan 0.000 0.444 67 Q N -0.379 119.465 119.800 0.074 0.000 2.049 67 Q HA -0.031 4.309 4.340 -0.001 0.000 0.198 67 Q C 2.283 178.345 176.000 0.103 0.000 0.971 67 Q CA 1.344 57.217 55.803 0.117 0.000 0.833 67 Q CB -0.616 28.197 28.738 0.124 0.000 0.896 67 Q HN 0.515 nan 8.270 nan 0.000 0.434 68 L N 0.827 122.113 121.223 0.105 0.000 1.990 68 L HA -0.185 4.155 4.340 -0.001 0.000 0.213 68 L C 2.127 179.005 176.870 0.012 0.000 1.072 68 L CA 1.702 56.590 54.840 0.081 0.000 0.755 68 L CB -0.764 41.420 42.059 0.208 0.000 0.889 68 L HN 0.143 nan 8.230 nan 0.000 0.432 69 I N -0.864 119.724 120.570 0.031 0.000 2.179 69 I HA -0.305 3.864 4.170 -0.001 0.000 0.242 69 I C 2.594 178.709 176.117 -0.002 0.000 1.088 69 I CA 1.534 62.840 61.300 0.010 0.000 1.357 69 I CB -0.350 37.660 38.000 0.017 0.000 1.051 69 I HN 0.419 nan 8.210 nan 0.000 0.409 70 Q N 1.161 120.980 119.800 0.031 0.000 2.124 70 Q HA -0.142 4.197 4.340 -0.001 0.000 0.202 70 Q C 2.111 178.115 176.000 0.007 0.000 0.977 70 Q CA 2.060 57.906 55.803 0.070 0.000 0.850 70 Q CB -0.644 28.182 28.738 0.148 0.000 0.901 70 Q HN 0.493 nan 8.270 nan 0.000 0.429 71 G N 0.152 108.823 108.800 -0.214 0.000 2.418 71 G HA2 -0.214 3.745 3.960 -0.001 0.000 0.217 71 G HA3 -0.214 3.745 3.960 -0.001 0.000 0.217 71 G C 1.320 176.033 174.900 -0.312 0.000 1.158 71 G CA 0.924 45.628 45.100 -0.660 0.000 0.771 71 G HN 0.380 nan 8.290 nan 0.000 0.545 72 L N 0.079 121.203 121.223 -0.166 0.000 2.027 72 L HA -0.062 4.277 4.340 -0.001 0.000 0.206 72 L C 3.007 179.839 176.870 -0.062 0.000 1.074 72 L CA 0.440 55.224 54.840 -0.094 0.000 0.745 72 L CB -0.523 41.505 42.059 -0.052 0.000 0.898 72 L HN 0.077 nan 8.230 nan 0.000 0.433 73 V N -0.246 119.643 119.914 -0.043 0.000 2.332 73 V HA -0.302 3.817 4.120 -0.001 0.000 0.248 73 V C 1.793 177.880 176.094 -0.012 0.000 1.055 73 V CA 1.875 64.164 62.300 -0.017 0.000 1.038 73 V CB -0.529 31.294 31.823 -0.001 0.000 0.651 73 V HN 0.433 nan 8.190 nan 0.000 0.450 74 D N -1.095 119.296 120.400 -0.015 0.000 2.378 74 D HA -0.085 4.554 4.640 -0.001 0.000 0.222 74 D C 1.803 178.100 176.300 -0.006 0.000 0.980 74 D CA 0.814 54.820 54.000 0.009 0.000 0.907 74 D CB -0.246 40.592 40.800 0.063 0.000 0.899 74 D HN 0.483 nan 8.370 nan 0.000 0.527 75 C N -0.958 118.323 119.300 -0.030 0.000 2.563 75 C HA 0.361 4.820 4.460 -0.001 0.000 0.268 75 C C 1.898 176.884 174.990 -0.006 0.000 1.365 75 C CA 0.455 59.463 59.018 -0.017 0.000 1.754 75 C CB -0.427 27.294 27.740 -0.031 0.000 1.932 75 C HN 0.517 nan 8.230 nan 0.000 0.536 76 G N -0.573 108.223 108.800 -0.007 0.000 2.144 76 G HA2 -0.215 3.745 3.960 -0.001 0.000 0.218 76 G HA3 -0.215 3.745 3.960 -0.001 0.000 0.218 76 G C 0.036 174.932 174.900 -0.007 0.000 0.988 76 G CA -0.022 45.076 45.100 -0.003 0.000 0.659 76 G HN 0.477 nan 8.290 nan 0.000 0.522 77 C N 1.080 120.372 119.300 -0.012 0.000 2.652 77 C HA 0.498 4.957 4.460 -0.001 0.000 0.412 77 C C 0.965 175.949 174.990 -0.010 0.000 1.294 77 C CA -0.107 58.903 59.018 -0.013 0.000 2.127 77 C CB 0.720 28.449 27.740 -0.018 0.000 2.691 77 C HN 0.576 nan 8.230 nan 0.000 0.615 78 Q N 1.456 121.250 119.800 -0.009 0.000 2.406 78 Q HA 0.393 4.733 4.340 -0.001 0.000 0.242 78 Q C -0.734 175.260 176.000 -0.009 0.000 1.036 78 Q CA -0.191 55.607 55.803 -0.008 0.000 0.904 78 Q CB 0.902 29.635 28.738 -0.008 0.000 1.244 78 Q HN 0.559 nan 8.270 nan 0.000 0.478 79 V N 2.237 122.146 119.914 -0.008 0.000 2.465 79 V HA 0.170 4.289 4.120 -0.001 0.000 0.279 79 V C 0.089 176.178 176.094 -0.008 0.000 1.045 79 V CA -0.278 62.017 62.300 -0.008 0.000 0.938 79 V CB 1.708 33.527 31.823 -0.006 0.000 0.986 79 V HN 0.663 nan 8.190 nan 0.000 0.467 80 S N 3.328 119.023 115.700 -0.009 0.000 2.461 80 S HA 0.218 4.688 4.470 -0.001 0.000 0.322 80 S C -0.355 174.239 174.600 -0.009 0.000 1.063 80 S CA -0.478 57.716 58.200 -0.010 0.000 1.120 80 S CB 0.458 63.649 63.200 -0.015 0.000 0.968 80 S HN 0.846 nan 8.310 nan 0.000 0.467 81 D N 2.974 123.370 120.400 -0.007 0.000 2.380 81 D HA 0.152 4.792 4.640 -0.001 0.000 0.230 81 D C 0.931 177.226 176.300 -0.010 0.000 1.154 81 D CA -0.638 53.358 54.000 -0.007 0.000 0.859 81 D CB 0.849 41.646 40.800 -0.005 0.000 1.045 81 D HN 0.320 nan 8.370 nan 0.000 0.495 82 V N 2.103 122.008 119.914 -0.014 0.000 3.633 82 V HA 0.477 4.596 4.120 -0.001 0.000 0.283 82 V C 1.222 177.302 176.094 -0.023 0.000 1.305 82 V CA 0.480 62.770 62.300 -0.016 0.000 1.153 82 V CB -0.806 31.007 31.823 -0.017 0.000 0.950 82 V HN 0.702 nan 8.190 nan 0.000 0.432 83 G N 0.961 109.747 108.800 -0.024 0.000 2.539 83 G HA2 -0.344 3.615 3.960 -0.001 0.000 0.256 83 G HA3 -0.344 3.615 3.960 -0.001 0.000 0.256 83 G C -0.135 174.741 174.900 -0.039 0.000 1.233 83 G CA 0.289 45.372 45.100 -0.027 0.000 0.936 83 G HN 0.722 nan 8.290 nan 0.000 0.571 84 M N 1.328 120.904 119.600 -0.041 0.000 2.156 84 M HA 0.524 5.004 4.480 -0.001 0.000 0.345 84 M C 0.287 176.550 176.300 -0.062 0.000 1.398 84 M CA -0.391 54.879 55.300 -0.050 0.000 1.148 84 M CB 0.106 32.680 32.600 -0.043 0.000 1.663 84 M HN 1.407 nan 8.290 nan 0.000 0.464 85 V N 3.377 123.241 119.914 -0.083 0.000 3.147 85 V HA 0.751 4.871 4.120 -0.001 0.000 0.306 85 V C -2.999 173.009 176.094 -0.142 0.000 1.209 85 V CA -2.236 59.994 62.300 -0.117 0.000 1.023 85 V CB 1.514 33.254 31.823 -0.139 0.000 1.059 85 V HN 0.619 nan 8.190 nan 0.000 0.435 86 P HA 0.224 nan 4.420 nan 0.000 0.268 86 P C 0.997 178.152 177.300 -0.242 0.000 1.208 86 P CA 0.390 63.382 63.100 -0.180 0.000 0.777 86 P CB 0.490 32.074 31.700 -0.194 0.000 0.875 87 T N 3.574 117.980 114.554 -0.246 0.000 2.665 87 T HA -0.115 4.235 4.350 -0.001 0.000 0.268 87 T C -0.784 173.523 174.700 -0.656 0.000 1.035 87 T CA 2.270 64.105 62.100 -0.441 0.000 1.151 87 T CB -1.760 66.875 68.868 -0.388 0.000 0.862 87 T HN 0.580 nan 8.240 nan 0.000 0.438 88 P HA 0.015 nan 4.420 nan 0.000 0.219 88 P C 1.523 178.708 177.300 -0.192 0.000 1.146 88 P CA 0.714 63.734 63.100 -0.133 0.000 0.808 88 P CB -0.248 31.681 31.700 0.382 0.000 0.779 89 V N 0.797 120.504 119.914 -0.345 0.000 2.453 89 V HA -0.159 3.961 4.120 -0.001 0.000 0.247 89 V C 2.629 178.621 176.094 -0.169 0.000 1.048 89 V CA 1.140 63.208 62.300 -0.387 0.000 1.049 89 V CB -1.140 30.347 31.823 -0.559 0.000 0.672 89 V HN 0.084 nan 8.190 nan 0.000 0.457 90 L N -0.451 120.620 121.223 -0.254 0.000 2.017 90 L HA -0.169 4.170 4.340 -0.001 0.000 0.208 90 L C 2.626 179.400 176.870 -0.161 0.000 1.073 90 L CA 2.420 57.144 54.840 -0.193 0.000 0.745 90 L CB -0.935 40.991 42.059 -0.223 0.000 0.894 90 L HN 0.311 nan 8.230 nan 0.000 0.432 91 Y N -0.601 119.465 120.300 -0.390 0.000 2.165 91 Y HA -0.309 4.241 4.550 -0.001 0.000 0.286 91 Y C 2.701 178.178 175.900 -0.705 0.000 1.155 91 Y CA 1.339 59.033 58.100 -0.677 0.000 1.164 91 Y CB -1.614 36.051 38.460 -1.324 0.000 0.978 91 Y HN 0.295 nan 8.280 nan 0.000 0.513 92 Y N 0.428 120.400 120.300 -0.547 0.000 2.128 92 Y HA -0.230 4.319 4.550 -0.001 0.000 0.284 92 Y C 2.503 178.244 175.900 -0.265 0.000 1.154 92 Y CA 1.579 59.496 58.100 -0.305 0.000 1.149 92 Y CB -0.731 37.763 38.460 0.057 0.000 0.976 92 Y HN 0.032 nan 8.280 nan 0.000 0.505 93 A N 0.710 123.437 122.820 -0.154 0.000 1.917 93 A HA -0.169 4.150 4.320 -0.001 0.000 0.219 93 A C 2.285 179.738 177.584 -0.218 0.000 1.182 93 A CA 2.009 53.935 52.037 -0.185 0.000 0.633 93 A CB -1.569 17.393 19.000 -0.062 0.000 0.819 93 A HN 0.648 nan 8.150 nan 0.000 0.448 94 A N -1.094 121.624 122.820 -0.170 0.000 2.239 94 A HA 0.007 4.326 4.320 -0.001 0.000 0.209 94 A C 1.629 179.115 177.584 -0.164 0.000 1.171 94 A CA 1.022 52.982 52.037 -0.128 0.000 0.768 94 A CB -0.418 18.547 19.000 -0.060 0.000 0.790 94 A HN 0.584 nan 8.150 nan 0.000 0.478 95 N N -0.967 117.556 118.700 -0.294 0.000 2.397 95 N HA 0.009 4.748 4.740 -0.001 0.000 0.190 95 N C 1.472 176.777 175.510 -0.342 0.000 1.099 95 N CA 1.441 54.305 53.050 -0.310 0.000 0.876 95 N CB 0.930 39.115 38.487 -0.502 0.000 1.143 95 N HN 0.473 nan 8.380 nan 0.000 0.468 96 V N -1.679 117.949 119.914 -0.477 0.000 3.570 96 V HA 0.345 4.465 4.120 -0.001 0.000 0.257 96 V C 1.213 177.181 176.094 -0.210 0.000 1.272 96 V CA 0.032 62.109 62.300 -0.371 0.000 1.079 96 V CB -0.016 31.460 31.823 -0.578 0.000 0.829 96 V HN -0.110 nan 8.190 nan 0.000 0.454 97 L N 0.656 121.765 121.223 -0.191 0.000 2.540 97 L HA 0.284 4.624 4.340 -0.001 0.000 0.215 97 L C 2.073 178.897 176.870 -0.077 0.000 1.204 97 L CA 0.667 55.443 54.840 -0.107 0.000 0.841 97 L CB 0.082 42.088 42.059 -0.088 0.000 1.420 97 L HN 0.218 nan 8.230 nan 0.000 0.519 98 E N 0.000 120.170 120.200 -0.050 0.000 2.047 98 E HA -0.072 4.277 4.350 -0.001 0.000 0.191 98 E C 0.740 177.318 176.600 -0.036 0.000 0.987 98 E CA 0.731 57.109 56.400 -0.036 0.000 0.799 98 E CB 0.017 29.702 29.700 -0.025 0.000 0.752 98 E HN 0.730 nan 8.360 nan 0.000 0.449 99 G N -0.065 108.712 108.800 -0.038 0.000 2.476 99 G HA2 0.096 4.056 3.960 -0.001 0.000 0.269 99 G HA3 0.096 4.056 3.960 -0.001 0.000 0.269 99 G C 0.139 175.014 174.900 -0.040 0.000 1.195 99 G CA -0.467 44.614 45.100 -0.032 0.000 0.843 99 G HN 0.031 nan 8.290 nan 0.000 0.545 100 K N 0.599 120.982 120.400 -0.029 0.000 2.397 100 K HA 0.191 4.511 4.320 -0.001 0.000 0.202 100 K C 0.505 177.094 176.600 -0.019 0.000 1.022 100 K CA -0.018 56.252 56.287 -0.029 0.000 1.141 100 K CB 0.696 33.184 32.500 -0.019 0.000 0.857 100 K HN 0.274 nan 8.250 nan 0.000 0.514 101 S N 0.159 115.851 115.700 -0.014 0.000 2.565 101 S HA 0.738 5.208 4.470 -0.001 0.000 0.290 101 S C 0.110 174.712 174.600 0.004 0.000 1.150 101 S CA -0.673 57.527 58.200 0.000 0.000 1.058 101 S CB 2.029 65.231 63.200 0.003 0.000 1.032 101 S HN 0.364 nan 8.310 nan 0.000 0.510 102 G N 0.481 109.298 108.800 0.029 0.000 2.742 102 G HA2 0.569 4.529 3.960 -0.001 0.000 0.296 102 G HA3 0.569 4.529 3.960 -0.001 0.000 0.296 102 G C -1.834 173.115 174.900 0.082 0.000 1.436 102 G CA -0.453 44.672 45.100 0.043 0.000 0.928 102 G HN 0.622 nan 8.290 nan 0.000 0.520 103 V N 1.885 121.846 119.914 0.078 0.000 2.531 103 V HA 0.616 4.735 4.120 -0.001 0.000 0.301 103 V C -0.304 175.843 176.094 0.089 0.000 1.034 103 V CA -0.745 61.627 62.300 0.120 0.000 0.865 103 V CB 1.652 33.561 31.823 0.142 0.000 0.995 103 V HN 0.822 nan 8.190 nan 0.000 0.424 104 M N 5.632 125.284 119.600 0.086 0.000 2.129 104 M HA 0.548 5.028 4.480 -0.001 0.000 0.348 104 M C -1.032 175.260 176.300 -0.014 0.000 1.116 104 M CA -0.695 54.601 55.300 -0.008 0.000 1.022 104 M CB 1.128 33.673 32.600 -0.091 0.000 1.599 104 M HN 0.612 nan 8.290 nan 0.000 0.449 105 L N 5.641 126.816 121.223 -0.079 0.000 2.312 105 L HA 0.597 4.937 4.340 -0.001 0.000 0.287 105 L C -0.629 176.120 176.870 -0.202 0.000 1.091 105 L CA 0.747 55.445 54.840 -0.236 0.000 0.846 105 L CB 0.205 42.139 42.059 -0.209 0.000 1.219 105 L HN 0.858 nan 8.230 nan 0.000 0.439 106 T N 2.722 117.149 114.554 -0.213 0.000 2.932 106 T HA 0.746 5.095 4.350 -0.001 0.000 0.318 106 T C -0.253 174.389 174.700 -0.097 0.000 1.265 106 T CA -0.047 61.981 62.100 -0.119 0.000 1.036 106 T CB 1.089 69.912 68.868 -0.075 0.000 1.209 106 T HN 0.698 nan 8.240 nan 0.000 0.484 110 N N 2.381 120.791 118.700 -0.484 0.000 2.326 110 N HA 0.209 4.948 4.740 -0.001 0.000 0.239 110 N C -2.393 172.976 175.510 -0.235 0.000 1.301 110 N CA -1.149 51.617 53.050 -0.473 0.000 0.909 110 N CB 0.498 38.596 38.487 -0.649 0.000 1.156 110 N HN 0.109 nan 8.380 nan 0.000 0.462 111 P HA 0.024 nan 4.420 nan 0.000 0.270 111 P C -1.925 175.559 177.300 0.306 0.000 1.227 111 P CA -0.798 62.364 63.100 0.102 0.000 0.788 111 P CB -0.003 31.788 31.700 0.152 0.000 0.926 112 P HA -0.228 nan 4.420 nan 0.000 0.218 112 P C 0.601 178.017 177.300 0.193 0.000 1.152 112 P CA 1.725 65.005 63.100 0.299 0.000 0.857 112 P CB -0.122 31.681 31.700 0.171 0.000 0.787 113 D N -3.339 117.170 120.400 0.181 0.000 2.349 113 D HA -0.011 4.628 4.640 -0.001 0.000 0.215 113 D C 0.300 176.597 176.300 -0.006 0.000 1.016 113 D CA 0.345 54.378 54.000 0.055 0.000 0.870 113 D CB -0.163 40.629 40.800 -0.013 0.000 0.917 113 D HN 0.237 nan 8.370 nan 0.000 0.524 114 Y N 1.093 121.403 120.300 0.016 0.000 2.346 114 Y HA 0.225 4.774 4.550 -0.001 0.000 0.330 114 Y C 1.101 176.982 175.900 -0.031 0.000 1.178 114 Y CA 0.178 58.272 58.100 -0.011 0.000 1.331 114 Y CB 0.660 39.104 38.460 -0.027 0.000 1.253 114 Y HN -0.214 nan 8.280 nan 0.000 0.529 115 N N -0.272 118.457 118.700 0.048 0.000 3.204 115 N HA 0.731 5.470 4.740 -0.001 0.000 0.285 115 N C -0.690 174.746 175.510 -0.122 0.000 1.536 115 N CA 0.077 53.093 53.050 -0.056 0.000 0.832 115 N CB 2.187 40.601 38.487 -0.121 0.000 1.645 115 N HN 0.802 nan 8.380 nan 0.000 0.586 116 G N -0.707 107.896 108.800 -0.328 0.000 2.325 116 G HA2 0.471 4.430 3.960 -0.001 0.000 0.295 116 G HA3 0.471 4.430 3.960 -0.001 0.000 0.295 116 G C -2.222 172.244 174.900 -0.723 0.000 1.274 116 G CA -0.609 44.267 45.100 -0.372 0.000 0.857 116 G HN 0.261 nan 8.290 nan 0.000 0.499 117 F N 0.548 120.503 119.950 0.009 0.000 2.561 117 F HA 0.607 5.134 4.527 -0.001 0.000 0.313 117 F C 0.131 175.975 175.800 0.074 0.000 1.126 117 F CA -0.780 57.236 58.000 0.027 0.000 0.918 117 F CB 2.727 41.733 39.000 0.010 0.000 1.199 117 F HN 0.147 nan 8.300 nan 0.000 0.444 118 K N 4.505 125.052 120.400 0.244 0.000 2.244 118 K HA 0.775 5.094 4.320 -0.001 0.000 0.260 118 K C -1.135 175.636 176.600 0.284 0.000 0.951 118 K CA -0.587 55.868 56.287 0.280 0.000 0.826 118 K CB 2.417 35.075 32.500 0.263 0.000 1.108 118 K HN 0.552 nan 8.250 nan 0.000 0.433 119 I N 2.534 123.265 120.570 0.268 0.000 2.466 119 I HA 0.287 4.457 4.170 -0.001 0.000 0.289 119 I C -0.773 175.438 176.117 0.156 0.000 1.026 119 I CA -1.234 60.183 61.300 0.195 0.000 1.078 119 I CB 2.044 40.137 38.000 0.154 0.000 1.249 119 I HN 0.176 nan 8.210 nan 0.000 0.429 120 V N 6.803 126.790 119.914 0.121 0.000 2.448 120 V HA 0.477 4.596 4.120 -0.001 0.000 0.295 120 V C -0.227 175.893 176.094 0.044 0.000 1.025 120 V CA -0.689 61.648 62.300 0.062 0.000 0.859 120 V CB 2.059 33.902 31.823 0.032 0.000 0.988 120 V HN 0.427 nan 8.190 nan 0.000 0.431 121 V N 3.515 123.447 119.914 0.030 0.000 2.444 121 V HA 0.679 4.799 4.120 -0.001 0.000 0.294 121 V C 0.647 176.746 176.094 0.009 0.000 1.022 121 V CA -0.265 62.046 62.300 0.019 0.000 0.850 121 V CB 1.197 33.033 31.823 0.022 0.000 0.992 121 V HN 1.312 nan 8.190 nan 0.000 0.426 122 A N 3.970 126.792 122.820 0.003 0.000 2.596 122 A HA 0.046 4.366 4.320 -0.001 0.000 0.300 122 A C 1.811 179.393 177.584 -0.003 0.000 1.495 122 A CA 1.516 53.552 52.037 -0.002 0.000 0.769 122 A CB -1.444 17.555 19.000 -0.002 0.000 1.047 122 A HN 2.674 nan 8.150 nan 0.000 0.436 123 G N -1.793 107.005 108.800 -0.003 0.000 2.284 123 G HA2 -0.243 3.717 3.960 -0.001 0.000 0.230 123 G HA3 -0.243 3.717 3.960 -0.001 0.000 0.230 123 G C 0.028 174.925 174.900 -0.004 0.000 1.021 123 G CA 0.974 46.072 45.100 -0.003 0.000 0.619 123 G HN 1.575 nan 8.290 nan 0.000 0.510 124 E N 1.355 121.554 120.200 -0.002 0.000 2.197 124 E HA 0.554 4.904 4.350 -0.001 0.000 0.281 124 E C -0.359 176.243 176.600 0.005 0.000 0.995 124 E CA -0.275 56.123 56.400 -0.003 0.000 0.808 124 E CB 0.710 30.410 29.700 0.001 0.000 1.093 124 E HN 0.108 nan 8.360 nan 0.000 0.394 125 T N 5.018 119.569 114.554 -0.004 0.000 2.761 125 T HA 0.217 4.566 4.350 -0.001 0.000 0.296 125 T C 0.314 175.036 174.700 0.037 0.000 0.934 125 T CA -0.400 61.710 62.100 0.017 0.000 1.091 125 T CB 0.132 68.997 68.868 -0.005 0.000 0.896 125 T HN 0.365 nan 8.240 nan 0.000 0.515 126 L N 2.847 124.115 121.223 0.076 0.000 2.426 126 L HA 0.562 4.902 4.340 -0.001 0.000 0.271 126 L C 0.593 177.530 176.870 0.111 0.000 1.169 126 L CA -0.407 54.484 54.840 0.085 0.000 0.836 126 L CB 0.326 42.444 42.059 0.097 0.000 1.112 126 L HN 0.710 nan 8.230 nan 0.000 0.465 127 A N 2.321 125.208 122.820 0.112 0.000 2.556 127 A HA 0.588 4.907 4.320 -0.001 0.000 0.294 127 A C 0.046 177.703 177.584 0.121 0.000 1.091 127 A CA -0.648 51.493 52.037 0.173 0.000 0.704 127 A CB 1.443 20.572 19.000 0.215 0.000 1.300 127 A HN 0.824 nan 8.150 nan 0.000 0.406 128 N N -0.612 118.147 118.700 0.099 0.000 1.613 128 N HA -0.399 4.340 4.740 -0.001 0.000 0.146 128 N C 1.458 176.989 175.510 0.035 0.000 0.527 128 N CA 3.166 56.240 53.050 0.040 0.000 1.174 128 N CB -1.185 37.333 38.487 0.052 0.000 1.340 128 N HN 1.304 nan 8.380 nan 0.000 0.437 129 E N 1.471 121.687 120.200 0.027 0.000 2.150 129 E HA -0.144 4.206 4.350 -0.001 0.000 0.193 129 E C 2.047 178.659 176.600 0.019 0.000 0.985 129 E CA 2.094 58.502 56.400 0.012 0.000 0.814 129 E CB -0.744 28.958 29.700 0.004 0.000 0.752 129 E HN 0.706 nan 8.360 nan 0.000 0.466 130 Q N -0.655 119.166 119.800 0.036 0.000 2.119 130 Q HA 0.025 4.364 4.340 -0.001 0.000 0.201 130 Q C 2.425 178.461 176.000 0.059 0.000 0.972 130 Q CA 1.437 57.265 55.803 0.040 0.000 0.847 130 Q CB -0.168 28.599 28.738 0.048 0.000 0.903 130 Q HN 0.623 nan 8.270 nan 0.000 0.433 131 I N 0.171 120.794 120.570 0.088 0.000 2.286 131 I HA -0.245 3.924 4.170 -0.001 0.000 0.245 131 I C 2.332 178.526 176.117 0.128 0.000 1.104 131 I CA 0.859 62.248 61.300 0.148 0.000 1.397 131 I CB -0.051 38.057 38.000 0.181 0.000 1.072 131 I HN 0.167 nan 8.210 nan 0.000 0.417 132 Q N 0.904 120.735 119.800 0.051 0.000 2.170 132 Q HA -0.117 4.223 4.340 -0.001 0.000 0.203 132 Q C 2.158 178.089 176.000 -0.116 0.000 0.976 132 Q CA 1.799 57.571 55.803 -0.052 0.000 0.858 132 Q CB -0.302 28.414 28.738 -0.037 0.000 0.907 132 Q HN 0.521 nan 8.270 nan 0.000 0.433 133 A N -0.388 122.399 122.820 -0.054 0.000 2.015 133 A HA -0.111 4.208 4.320 -0.001 0.000 0.219 133 A C 1.925 179.468 177.584 -0.069 0.000 1.163 133 A CA 0.923 52.925 52.037 -0.059 0.000 0.646 133 A CB -0.535 18.451 19.000 -0.024 0.000 0.806 133 A HN 0.414 nan 8.150 nan 0.000 0.448 134 L N -1.127 120.072 121.223 -0.040 0.000 2.027 134 L HA -0.173 4.167 4.340 -0.001 0.000 0.206 134 L C 2.775 179.571 176.870 -0.122 0.000 1.074 134 L CA 1.796 56.631 54.840 -0.008 0.000 0.745 134 L CB -0.503 41.633 42.059 0.129 0.000 0.898 134 L HN 0.474 nan 8.230 nan 0.000 0.433 135 R N 0.586 120.828 120.500 -0.430 0.000 2.080 135 R HA -0.222 4.117 4.340 -0.001 0.000 0.236 135 R C 2.449 178.527 176.300 -0.370 0.000 1.137 135 R CA 2.125 57.762 56.100 -0.772 0.000 0.943 135 R CB -0.364 29.058 30.300 -1.463 0.000 0.846 135 R HN 0.376 nan 8.270 nan 0.000 0.431 136 E N 1.383 121.417 120.200 -0.277 0.000 2.114 136 E HA -0.271 4.079 4.350 -0.001 0.000 0.199 136 E C 1.996 178.519 176.600 -0.128 0.000 1.008 136 E CA 1.818 58.115 56.400 -0.171 0.000 0.810 136 E CB -0.665 28.960 29.700 -0.125 0.000 0.739 136 E HN 0.571 nan 8.360 nan 0.000 0.456 137 R N -0.719 119.719 120.500 -0.104 0.000 2.091 137 R HA -0.031 4.308 4.340 -0.001 0.000 0.238 137 R C 2.631 178.886 176.300 -0.075 0.000 1.136 137 R CA 1.676 57.737 56.100 -0.065 0.000 0.959 137 R CB -0.500 29.782 30.300 -0.030 0.000 0.856 137 R HN 0.528 nan 8.270 nan 0.000 0.437 138 I N 0.460 120.972 120.570 -0.096 0.000 2.252 138 I HA -0.209 3.960 4.170 -0.001 0.000 0.245 138 I C 3.028 179.026 176.117 -0.200 0.000 1.102 138 I CA 1.667 62.888 61.300 -0.132 0.000 1.385 138 I CB -0.587 37.361 38.000 -0.086 0.000 1.064 138 I HN 0.340 nan 8.210 nan 0.000 0.414 139 E N 1.507 121.603 120.200 -0.173 0.000 2.077 139 E HA -0.237 4.113 4.350 -0.001 0.000 0.193 139 E C 2.308 178.828 176.600 -0.133 0.000 0.989 139 E CA 1.906 58.212 56.400 -0.157 0.000 0.800 139 E CB -0.867 28.749 29.700 -0.140 0.000 0.746 139 E HN 0.594 nan 8.360 nan 0.000 0.452 140 K N -0.861 119.472 120.400 -0.111 0.000 2.404 140 K HA 0.370 4.690 4.320 -0.001 0.000 0.194 140 K C 1.441 177.995 176.600 -0.076 0.000 1.023 140 K CA 1.480 57.717 56.287 -0.084 0.000 1.094 140 K CB -1.593 30.868 32.500 -0.066 0.000 0.841 140 K HN 1.641 nan 8.250 nan 0.000 0.523 141 N N 1.538 120.180 118.700 -0.097 0.000 2.727 141 N HA -0.198 4.542 4.740 -0.001 0.000 0.249 141 N C 0.134 175.630 175.510 -0.023 0.000 1.048 141 N CA 0.940 53.949 53.050 -0.068 0.000 0.714 141 N CB -2.436 36.011 38.487 -0.067 0.000 0.959 141 N HN 0.660 nan 8.380 nan 0.000 0.544 142 D N 0.217 120.602 120.400 -0.024 0.000 2.741 142 D HA 0.504 5.143 4.640 -0.001 0.000 0.233 142 D C -0.160 176.145 176.300 0.009 0.000 1.160 142 D CA 0.013 54.007 54.000 -0.010 0.000 1.003 142 D CB -0.468 40.318 40.800 -0.022 0.000 1.064 142 D HN 0.720 nan 8.370 nan 0.000 0.503 143 L N 1.071 122.312 121.223 0.030 0.000 2.401 143 L HA 0.688 5.027 4.340 -0.001 0.000 0.266 143 L C 0.297 177.196 176.870 0.049 0.000 0.991 143 L CA -1.404 53.468 54.840 0.054 0.000 0.818 143 L CB 1.978 44.106 42.059 0.116 0.000 1.321 143 L HN 0.077 nan 8.230 nan 0.000 0.413 144 A N 1.407 124.247 122.820 0.034 0.000 2.351 144 A HA 0.773 5.093 4.320 -0.001 0.000 0.257 144 A C 0.165 177.771 177.584 0.036 0.000 1.087 144 A CA 0.321 52.374 52.037 0.026 0.000 0.798 144 A CB 0.586 19.593 19.000 0.012 0.000 1.033 144 A HN 0.870 nan 8.150 nan 0.000 0.488 145 S N -0.349 115.371 115.700 0.033 0.000 2.557 145 S HA 0.803 5.272 4.470 -0.001 0.000 0.291 145 S C -0.047 174.568 174.600 0.025 0.000 1.116 145 S CA -0.113 58.110 58.200 0.038 0.000 0.992 145 S CB 1.465 64.695 63.200 0.051 0.000 1.028 145 S HN 2.132 nan 8.310 nan 0.000 0.484 146 G N -0.171 108.642 108.800 0.021 0.000 2.495 146 G HA2 0.558 4.518 3.960 -0.001 0.000 0.294 146 G HA3 0.558 4.518 3.960 -0.001 0.000 0.294 146 G C -1.764 173.143 174.900 0.013 0.000 1.397 146 G CA -0.318 44.790 45.100 0.014 0.000 0.790 146 G HN 1.089 nan 8.290 nan 0.000 0.486 147 V N 1.744 121.663 119.914 0.009 0.000 2.257 147 V HA 0.603 4.722 4.120 -0.001 0.000 0.269 147 V C 1.171 177.267 176.094 0.004 0.000 1.040 147 V CA 0.232 62.536 62.300 0.008 0.000 0.813 147 V CB 0.310 32.137 31.823 0.007 0.000 1.065 147 V HN 1.073 nan 8.190 nan 0.000 0.457 148 G N 3.354 112.155 108.800 0.002 0.000 2.516 148 G HA2 0.603 4.563 3.960 -0.001 0.000 0.276 148 G HA3 0.603 4.563 3.960 -0.001 0.000 0.276 148 G C 0.001 174.900 174.900 -0.001 0.000 1.390 148 G CA 0.225 45.324 45.100 -0.002 0.000 1.050 148 G HN 0.854 nan 8.290 nan 0.000 0.519 149 S N -2.551 113.147 115.700 -0.003 0.000 2.588 149 S HA 0.664 5.133 4.470 -0.001 0.000 0.275 149 S C -1.275 173.323 174.600 -0.003 0.000 1.130 149 S CA -0.734 57.465 58.200 -0.002 0.000 0.855 149 S CB 1.979 65.178 63.200 -0.002 0.000 1.116 149 S HN 0.779 nan 8.310 nan 0.000 0.472 150 V N 1.265 121.177 119.914 -0.002 0.000 2.540 150 V HA 0.664 4.784 4.120 -0.001 0.000 0.302 150 V C -0.390 175.702 176.094 -0.003 0.000 1.035 150 V CA -0.508 61.791 62.300 -0.003 0.000 0.873 150 V CB 1.431 33.254 31.823 -0.001 0.000 0.992 150 V HN 1.023 nan 8.190 nan 0.000 0.428 151 E N 2.583 122.781 120.200 -0.004 0.000 2.234 151 E HA 0.489 4.839 4.350 -0.001 0.000 0.266 151 E C -1.058 175.540 176.600 -0.003 0.000 0.877 151 E CA -0.758 55.640 56.400 -0.003 0.000 0.758 151 E CB 2.033 31.730 29.700 -0.004 0.000 1.170 151 E HN 0.706 nan 8.360 nan 0.000 0.415 152 Q N 1.661 121.459 119.800 -0.003 0.000 2.288 152 Q HA 0.385 4.725 4.340 -0.001 0.000 0.254 152 Q C -1.212 174.788 176.000 -0.000 0.000 0.932 152 Q CA -0.214 55.588 55.803 -0.002 0.000 0.902 152 Q CB 1.692 30.428 28.738 -0.003 0.000 1.203 152 Q HN 0.276 nan 8.270 nan 0.000 0.415 153 V N 2.455 122.369 119.914 0.001 0.000 2.638 153 V HA 0.226 4.346 4.120 -0.001 0.000 0.306 153 V C -1.113 174.988 176.094 0.012 0.000 1.052 153 V CA -0.878 61.426 62.300 0.007 0.000 0.885 153 V CB 2.103 33.929 31.823 0.006 0.000 0.999 153 V HN 0.691 nan 8.190 nan 0.000 0.424 154 D N 3.044 123.456 120.400 0.020 0.000 2.467 154 D HA 0.354 4.994 4.640 -0.001 0.000 0.220 154 D C 0.339 176.670 176.300 0.051 0.000 1.103 154 D CA -0.130 53.885 54.000 0.024 0.000 0.886 154 D CB 1.244 42.055 40.800 0.017 0.000 1.025 154 D HN 0.448 nan 8.370 nan 0.000 0.514 155 I N 3.648 124.257 120.570 0.064 0.000 3.462 155 I HA 0.098 4.267 4.170 -0.001 0.000 0.290 155 I C 1.739 177.955 176.117 0.166 0.000 1.236 155 I CA 0.187 61.565 61.300 0.130 0.000 1.418 155 I CB 0.188 38.271 38.000 0.139 0.000 1.102 155 I HN 0.471 nan 8.210 nan 0.000 0.441 156 L N 1.368 122.650 121.223 0.099 0.000 1.990 156 L HA -0.176 4.164 4.340 -0.001 0.000 0.213 156 L C -0.300 176.690 176.870 0.200 0.000 1.072 156 L CA 2.049 56.961 54.840 0.120 0.000 0.755 156 L CB -1.886 40.209 42.059 0.061 0.000 0.889 156 L HN 0.209 nan 8.230 nan 0.000 0.432 157 P HA -0.198 nan 4.420 nan 0.000 0.216 157 P C 1.467 178.883 177.300 0.194 0.000 1.150 157 P CA 1.403 64.564 63.100 0.103 0.000 0.843 157 P CB -0.140 31.581 31.700 0.034 0.000 0.787 158 R N -1.467 119.161 120.500 0.213 0.000 2.066 158 R HA -0.186 4.153 4.340 -0.001 0.000 0.232 158 R C 2.408 178.867 176.300 0.264 0.000 1.131 158 R CA 1.337 57.593 56.100 0.259 0.000 0.955 158 R CB -0.992 29.491 30.300 0.306 0.000 0.851 158 R HN 0.139 nan 8.270 nan 0.000 0.432 159 Y N 0.322 120.639 120.300 0.028 0.000 2.128 159 Y HA -0.305 4.244 4.550 -0.001 0.000 0.284 159 Y C 1.929 177.815 175.900 -0.025 0.000 1.154 159 Y CA 2.057 59.952 58.100 -0.342 0.000 1.149 159 Y CB -0.594 37.649 38.460 -0.362 0.000 0.976 159 Y HN 0.106 nan 8.280 nan 0.000 0.505 160 F N 1.431 121.444 119.950 0.105 0.000 2.065 160 F HA -0.247 4.279 4.527 -0.001 0.000 0.298 160 F C 2.495 178.286 175.800 -0.014 0.000 1.112 160 F CA 3.240 61.266 58.000 0.044 0.000 1.212 160 F CB -1.031 38.021 39.000 0.087 0.000 0.975 160 F HN 0.054 nan 8.300 nan 0.000 0.476 161 K N -0.070 120.547 120.400 0.361 0.000 2.097 161 K HA -0.199 4.121 4.320 -0.001 0.000 0.206 161 K C 1.900 178.572 176.600 0.120 0.000 1.049 161 K CA 1.651 58.084 56.287 0.244 0.000 0.933 161 K CB -1.263 31.361 32.500 0.207 0.000 0.717 161 K HN 0.564 nan 8.250 nan 0.000 0.442 162 Q N 0.145 120.007 119.800 0.103 0.000 2.030 162 Q HA -0.077 4.263 4.340 -0.001 0.000 0.204 162 Q C 2.033 178.079 176.000 0.076 0.000 0.986 162 Q CA 2.237 58.118 55.803 0.129 0.000 0.843 162 Q CB -0.268 28.585 28.738 0.192 0.000 0.904 162 Q HN 0.682 nan 8.270 nan 0.000 0.420 163 I N -0.450 120.078 120.570 -0.072 0.000 2.163 163 I HA -0.264 3.905 4.170 -0.001 0.000 0.240 163 I C 2.860 178.896 176.117 -0.135 0.000 1.081 163 I CA 1.263 62.481 61.300 -0.137 0.000 1.353 163 I CB -0.711 37.093 38.000 -0.326 0.000 1.054 163 I HN 0.283 nan 8.210 nan 0.000 0.407 164 R N 0.790 121.182 120.500 -0.180 0.000 2.119 164 R HA -0.261 4.078 4.340 -0.001 0.000 0.246 164 R C 1.778 178.053 176.300 -0.043 0.000 1.146 164 R CA 2.439 58.460 56.100 -0.132 0.000 0.962 164 R CB -1.809 28.444 30.300 -0.078 0.000 0.863 164 R HN 0.391 nan 8.270 nan 0.000 0.442 165 D N -0.167 120.234 120.400 0.003 0.000 2.178 165 D HA -0.089 4.550 4.640 -0.001 0.000 0.202 165 D C 1.241 177.547 176.300 0.010 0.000 0.974 165 D CA 1.648 55.662 54.000 0.024 0.000 0.841 165 D CB -0.353 40.480 40.800 0.054 0.000 0.953 165 D HN 0.609 nan 8.370 nan 0.000 0.478 166 D N -0.894 119.510 120.400 0.006 0.000 2.350 166 D HA 0.023 4.662 4.640 -0.001 0.000 0.213 166 D C 0.048 176.320 176.300 -0.046 0.000 1.031 166 D CA -0.003 53.998 54.000 0.001 0.000 0.861 166 D CB 0.449 41.276 40.800 0.044 0.000 0.926 166 D HN -0.026 nan 8.370 nan 0.000 0.520 167 I N 1.329 121.851 120.570 -0.080 0.000 2.385 167 I HA 0.423 4.593 4.170 -0.001 0.000 0.294 167 I C -0.004 176.063 176.117 -0.083 0.000 0.988 167 I CA -0.720 60.508 61.300 -0.121 0.000 1.265 167 I CB 1.250 39.144 38.000 -0.176 0.000 1.388 167 I HN -0.116 nan 8.210 nan 0.000 0.480 168 A N 7.923 130.696 122.820 -0.079 0.000 2.842 168 A HA 0.539 4.859 4.320 -0.001 0.000 0.339 168 A C -0.078 177.473 177.584 -0.054 0.000 1.177 168 A CA -0.583 51.421 52.037 -0.054 0.000 0.797 168 A CB 0.304 19.279 19.000 -0.042 0.000 1.094 168 A HN 0.718 nan 8.150 nan 0.000 0.474 169 M N 1.665 121.233 119.600 -0.053 0.000 2.217 169 M HA 0.296 4.775 4.480 -0.001 0.000 0.354 169 M C 1.286 177.566 176.300 -0.033 0.000 1.225 169 M CA 0.048 55.321 55.300 -0.046 0.000 1.137 169 M CB 1.554 34.127 32.600 -0.045 0.000 1.576 169 M HN 0.725 nan 8.290 nan 0.000 0.461 170 A N 4.913 127.714 122.820 -0.031 0.000 1.974 170 A HA 0.079 4.399 4.320 -0.001 0.000 0.219 170 A C 0.661 178.232 177.584 -0.022 0.000 1.479 170 A CA 0.440 52.462 52.037 -0.025 0.000 0.615 170 A CB -0.111 18.873 19.000 -0.026 0.000 1.130 170 A HN 0.807 nan 8.150 nan 0.000 0.497 171 K N 0.801 121.187 120.400 -0.022 0.000 2.180 171 K HA 0.393 4.712 4.320 -0.001 0.000 0.251 171 K C -2.851 173.739 176.600 -0.016 0.000 1.014 171 K CA -1.335 54.941 56.287 -0.019 0.000 0.913 171 K CB -0.035 32.453 32.500 -0.020 0.000 1.008 171 K HN 0.117 nan 8.250 nan 0.000 0.490 172 P HA 0.263 nan 4.420 nan 0.000 0.281 172 P C -0.986 176.309 177.300 -0.008 0.000 1.249 172 P CA -0.413 62.681 63.100 -0.009 0.000 0.810 172 P CB 0.871 32.567 31.700 -0.006 0.000 1.008 173 M N 1.075 120.671 119.600 -0.006 0.000 2.457 173 M HA 0.388 4.868 4.480 -0.001 0.000 0.300 173 M C -0.163 176.138 176.300 0.001 0.000 1.141 173 M CA -0.788 54.510 55.300 -0.003 0.000 0.901 173 M CB 3.080 35.679 32.600 -0.002 0.000 1.687 173 M HN 0.171 nan 8.290 nan 0.000 0.449 174 K N 2.317 122.718 120.400 0.002 0.000 2.211 174 K HA 0.652 4.971 4.320 -0.001 0.000 0.275 174 K C -1.694 174.909 176.600 0.004 0.000 1.024 174 K CA -0.424 55.865 56.287 0.003 0.000 0.887 174 K CB 1.025 33.525 32.500 0.001 0.000 1.084 174 K HN 0.554 nan 8.250 nan 0.000 0.463 175 V N 4.834 124.752 119.914 0.007 0.000 2.577 175 V HA 0.275 4.395 4.120 -0.001 0.000 0.303 175 V C -0.626 175.474 176.094 0.010 0.000 1.042 175 V CA -1.106 61.199 62.300 0.009 0.000 0.872 175 V CB 1.794 33.628 31.823 0.019 0.000 0.998 175 V HN 0.532 nan 8.190 nan 0.000 0.423 176 V N 5.251 125.165 119.914 0.000 0.000 2.461 176 V HA 0.404 4.523 4.120 -0.001 0.000 0.275 176 V C -0.018 176.084 176.094 0.014 0.000 1.047 176 V CA -0.354 61.944 62.300 -0.002 0.000 0.955 176 V CB 1.497 33.309 31.823 -0.019 0.000 0.988 176 V HN 0.607 nan 8.190 nan 0.000 0.471 177 V N 4.162 124.101 119.914 0.042 0.000 2.407 177 V HA 0.409 4.529 4.120 -0.001 0.000 0.291 177 V C -0.510 175.654 176.094 0.117 0.000 1.018 177 V CA -0.482 61.884 62.300 0.110 0.000 0.842 177 V CB 1.796 33.724 31.823 0.175 0.000 0.996 177 V HN 0.917 nan 8.190 nan 0.000 0.426 178 D N 3.539 124.026 120.400 0.145 0.000 2.414 178 D HA 0.292 4.932 4.640 -0.001 0.000 0.232 178 D C 0.324 176.804 176.300 0.300 0.000 1.070 178 D CA -0.268 53.850 54.000 0.197 0.000 0.839 178 D CB 1.808 42.737 40.800 0.215 0.000 1.079 178 D HN 0.519 nan 8.370 nan 0.000 0.521 179 C N 2.309 121.787 119.300 0.297 0.000 2.791 179 C HA 0.352 4.812 4.460 -0.001 0.000 0.270 179 C C 1.658 176.802 174.990 0.256 0.000 1.257 179 C CA 0.157 59.354 59.018 0.299 0.000 1.699 179 C CB -0.887 26.974 27.740 0.203 0.000 1.904 179 C HN 0.896 nan 8.230 nan 0.000 0.603 180 G N 2.867 111.821 108.800 0.257 0.000 2.321 180 G HA2 -0.320 3.640 3.960 -0.001 0.000 0.287 180 G HA3 -0.320 3.640 3.960 -0.001 0.000 0.287 180 G C 0.283 175.267 174.900 0.139 0.000 1.018 180 G CA 0.706 45.848 45.100 0.070 0.000 0.855 180 G HN 0.648 nan 8.290 nan 0.000 0.507 181 N N -2.290 116.525 118.700 0.191 0.000 2.753 181 N HA -0.184 4.556 4.740 -0.001 0.000 0.251 181 N C 1.155 176.831 175.510 0.276 0.000 1.097 181 N CA 1.770 54.936 53.050 0.193 0.000 0.786 181 N CB -1.261 37.311 38.487 0.141 0.000 1.137 181 N HN 1.504 nan 8.380 nan 0.000 0.566 182 G N -0.500 108.483 108.800 0.305 0.000 2.537 182 G HA2 0.433 4.392 3.960 -0.001 0.000 0.297 182 G HA3 0.433 4.392 3.960 -0.001 0.000 0.297 182 G C 0.948 175.931 174.900 0.139 0.000 1.310 182 G CA 0.079 45.362 45.100 0.305 0.000 1.027 182 G HN 0.096 nan 8.290 nan 0.000 0.505 183 V N 0.421 120.390 119.914 0.091 0.000 3.380 183 V HA 0.101 4.220 4.120 -0.001 0.000 0.268 183 V C 2.702 178.781 176.094 -0.024 0.000 1.168 183 V CA 1.873 64.184 62.300 0.018 0.000 1.156 183 V CB -0.560 31.259 31.823 -0.007 0.000 0.785 183 V HN 0.803 nan 8.190 nan 0.000 0.487 184 A N 0.185 122.986 122.820 -0.031 0.000 2.019 184 A HA -0.040 4.280 4.320 -0.001 0.000 0.219 184 A C 2.302 179.814 177.584 -0.120 0.000 1.164 184 A CA 1.510 53.458 52.037 -0.148 0.000 0.644 184 A CB -1.045 17.798 19.000 -0.261 0.000 0.805 184 A HN 0.637 nan 8.150 nan 0.000 0.449 185 G N 0.021 108.806 108.800 -0.024 0.000 2.499 185 G HA2 -0.150 3.809 3.960 -0.001 0.000 0.221 185 G HA3 -0.150 3.809 3.960 -0.001 0.000 0.221 185 G C 1.462 176.362 174.900 -0.001 0.000 1.109 185 G CA 1.500 46.603 45.100 0.005 0.000 0.749 185 G HN 1.077 nan 8.290 nan 0.000 0.568 186 V N -2.148 117.757 119.914 -0.015 0.000 2.970 186 V HA 0.268 4.387 4.120 -0.001 0.000 0.260 186 V C 1.910 178.018 176.094 0.025 0.000 1.100 186 V CA 1.828 64.126 62.300 -0.004 0.000 1.122 186 V CB -0.042 31.769 31.823 -0.020 0.000 0.721 186 V HN 0.368 nan 8.190 nan 0.000 0.483 187 I N -1.817 118.764 120.570 0.017 0.000 5.139 187 I HA 0.439 4.608 4.170 -0.001 0.000 0.334 187 I C 2.197 178.343 176.117 0.050 0.000 1.217 187 I CA 0.874 62.232 61.300 0.097 0.000 1.448 187 I CB 0.108 38.184 38.000 0.127 0.000 1.538 187 I HN 0.076 nan 8.210 nan 0.000 0.527 188 A N 2.239 125.003 122.820 -0.094 0.000 1.877 188 A HA 0.012 4.332 4.320 -0.001 0.000 0.216 188 A C -0.409 177.168 177.584 -0.012 0.000 1.186 188 A CA 1.984 53.921 52.037 -0.167 0.000 0.620 188 A CB -1.980 16.676 19.000 -0.572 0.000 0.822 188 A HN 0.360 nan 8.150 nan 0.000 0.443 189 P HA -0.144 nan 4.420 nan 0.000 0.216 189 P C 1.244 178.594 177.300 0.082 0.000 1.153 189 P CA 1.510 64.650 63.100 0.066 0.000 0.848 189 P CB -0.085 31.651 31.700 0.061 0.000 0.787 190 Q N -0.947 118.926 119.800 0.122 0.000 2.046 190 Q HA -0.108 4.232 4.340 -0.001 0.000 0.200 190 Q C 2.097 178.265 176.000 0.280 0.000 0.975 190 Q CA 0.999 56.928 55.803 0.210 0.000 0.836 190 Q CB -1.316 27.573 28.738 0.251 0.000 0.896 190 Q HN 0.131 nan 8.270 nan 0.000 0.428 191 L N 0.456 121.781 121.223 0.170 0.000 2.017 191 L HA -0.124 4.215 4.340 -0.001 0.000 0.208 191 L C 1.898 178.672 176.870 -0.158 0.000 1.073 191 L CA 1.659 56.325 54.840 -0.290 0.000 0.745 191 L CB -0.533 41.258 42.059 -0.447 0.000 0.894 191 L HN 0.257 nan 8.230 nan 0.000 0.432 192 I N -0.389 120.150 120.570 -0.053 0.000 2.208 192 I HA -0.318 3.851 4.170 -0.001 0.000 0.245 192 I C 2.584 178.700 176.117 -0.001 0.000 1.097 192 I CA 1.716 63.004 61.300 -0.021 0.000 1.363 192 I CB -0.423 37.599 38.000 0.037 0.000 1.051 192 I HN 0.466 nan 8.210 nan 0.000 0.413 193 E N 1.200 121.420 120.200 0.035 0.000 2.058 193 E HA -0.292 4.057 4.350 -0.001 0.000 0.194 193 E C 2.267 178.895 176.600 0.047 0.000 0.997 193 E CA 1.575 58.002 56.400 0.046 0.000 0.801 193 E CB -0.073 29.667 29.700 0.067 0.000 0.746 193 E HN 0.508 nan 8.360 nan 0.000 0.450 194 A N 1.015 123.881 122.820 0.077 0.000 1.972 194 A HA -0.137 4.183 4.320 -0.001 0.000 0.219 194 A C 2.197 179.792 177.584 0.018 0.000 1.169 194 A CA 0.990 53.084 52.037 0.095 0.000 0.635 194 A CB -0.580 18.558 19.000 0.230 0.000 0.810 194 A HN 0.317 nan 8.150 nan 0.000 0.446 195 L N -1.562 119.637 121.223 -0.039 0.000 2.191 195 L HA 0.018 4.357 4.340 -0.001 0.000 0.212 195 L C 1.511 178.363 176.870 -0.030 0.000 1.103 195 L CA 0.878 55.683 54.840 -0.058 0.000 0.769 195 L CB -0.428 41.578 42.059 -0.089 0.000 0.908 195 L HN 0.631 nan 8.230 nan 0.000 0.438 196 G N -0.994 107.799 108.800 -0.011 0.000 2.338 196 G HA2 -0.122 3.838 3.960 -0.001 0.000 0.115 196 G HA3 -0.122 3.838 3.960 -0.001 0.000 0.115 196 G C -0.410 174.487 174.900 -0.004 0.000 1.053 196 G CA -0.547 44.550 45.100 -0.005 0.000 0.733 196 G HN 0.184 nan 8.290 nan 0.000 0.482 197 C N -0.091 119.210 119.300 0.002 0.000 2.779 197 C HA 0.859 5.319 4.460 -0.001 0.000 0.314 197 C C 0.768 175.765 174.990 0.012 0.000 1.231 197 C CA -0.536 58.485 59.018 0.005 0.000 1.652 197 C CB 1.940 29.684 27.740 0.006 0.000 2.198 197 C HN 0.569 nan 8.230 nan 0.000 0.483 198 S N 1.029 116.735 115.700 0.011 0.000 2.438 198 S HA 0.492 4.961 4.470 -0.001 0.000 0.293 198 S C -0.423 174.186 174.600 0.015 0.000 1.141 198 S CA -0.339 57.868 58.200 0.012 0.000 1.080 198 S CB 0.729 63.934 63.200 0.007 0.000 0.978 198 S HN 0.470 nan 8.310 nan 0.000 0.479 199 V N 5.617 125.543 119.914 0.020 0.000 2.370 199 V HA 0.389 4.509 4.120 -0.001 0.000 0.279 199 V C -0.137 175.966 176.094 0.015 0.000 1.029 199 V CA -0.557 61.757 62.300 0.024 0.000 0.870 199 V CB 1.106 32.952 31.823 0.038 0.000 0.984 199 V HN 0.756 nan 8.190 nan 0.000 0.451 200 I N 8.526 129.101 120.570 0.007 0.000 2.291 200 I HA 0.307 4.476 4.170 -0.001 0.000 0.290 200 I C -2.105 174.004 176.117 -0.012 0.000 1.050 200 I CA -1.674 59.622 61.300 -0.007 0.000 1.245 200 I CB 1.462 39.452 38.000 -0.015 0.000 1.405 200 I HN 0.435 nan 8.210 nan 0.000 0.478 201 P HA 0.311 nan 4.420 nan 0.000 0.284 201 P C -0.946 176.300 177.300 -0.090 0.000 1.253 201 P CA -0.305 62.783 63.100 -0.020 0.000 0.800 201 P CB 1.502 33.200 31.700 -0.005 0.000 0.961 202 L N 4.657 125.810 121.223 -0.117 0.000 2.372 202 L HA 0.319 4.659 4.340 -0.001 0.000 0.274 202 L C -0.375 176.343 176.870 -0.252 0.000 0.988 202 L CA -0.935 53.688 54.840 -0.362 0.000 0.833 202 L CB 0.963 42.797 42.059 -0.375 0.000 1.236 202 L HN 0.345 nan 8.230 nan 0.000 0.410 203 Y N 1.331 121.649 120.300 0.030 0.000 3.168 203 Y HA -0.274 4.275 4.550 -0.001 0.000 0.207 203 Y C 1.192 177.111 175.900 0.031 0.000 1.280 203 Y CA 0.038 58.140 58.100 0.004 0.000 1.235 203 Y CB -2.656 35.762 38.460 -0.070 0.000 1.370 203 Y HN 0.570 nan 8.280 nan 0.000 0.537 204 C N -0.640 118.730 119.300 0.117 0.000 2.799 204 C HA 0.115 4.575 4.460 -0.001 0.000 0.267 204 C C 1.053 176.085 174.990 0.070 0.000 1.257 204 C CA -0.320 58.754 59.018 0.092 0.000 1.702 204 C CB -0.360 27.417 27.740 0.062 0.000 1.934 204 C HN 0.355 nan 8.230 nan 0.000 0.594 205 E N 1.840 122.082 120.200 0.069 0.000 2.324 205 E HA 0.148 4.497 4.350 -0.001 0.000 0.271 205 E C -0.151 176.469 176.600 0.033 0.000 1.028 205 E CA 0.177 56.601 56.400 0.040 0.000 0.890 205 E CB 0.662 30.383 29.700 0.034 0.000 1.004 205 E HN 0.153 nan 8.360 nan 0.000 0.431 206 V N 3.665 123.585 119.914 0.009 0.000 2.479 206 V HA 0.055 4.175 4.120 -0.001 0.000 0.281 206 V C 0.312 176.365 176.094 -0.067 0.000 1.031 206 V CA 0.145 62.436 62.300 -0.015 0.000 1.038 206 V CB 0.477 32.286 31.823 -0.022 0.000 0.981 206 V HN 0.537 nan 8.190 nan 0.000 0.478 207 D N 3.573 123.893 120.400 -0.134 0.000 2.365 207 D HA 0.314 4.954 4.640 -0.001 0.000 0.235 207 D C 0.840 176.829 176.300 -0.519 0.000 1.368 207 D CA -0.024 53.844 54.000 -0.220 0.000 1.001 207 D CB 1.454 42.173 40.800 -0.135 0.000 1.364 207 D HN 0.489 nan 8.370 nan 0.000 0.577 208 G N 2.594 111.071 108.800 -0.539 0.000 2.776 208 G HA2 -0.189 3.771 3.960 -0.001 0.000 0.209 208 G HA3 -0.189 3.771 3.960 -0.001 0.000 0.209 208 G C 1.085 175.546 174.900 -0.732 0.000 1.145 208 G CA 0.000 44.600 45.100 -0.834 0.000 0.791 208 G HN 0.486 nan 8.290 nan 0.000 0.530 209 N N 0.624 119.056 118.700 -0.447 0.000 2.457 209 N HA -0.048 4.692 4.740 -0.001 0.000 0.180 209 N C -0.048 175.394 175.510 -0.112 0.000 1.050 209 N CA 0.172 53.092 53.050 -0.216 0.000 0.906 209 N CB -0.078 38.338 38.487 -0.118 0.000 0.968 209 N HN 0.228 nan 8.380 nan 0.000 0.445 210 F N 0.267 120.195 119.950 -0.037 0.000 2.635 210 F HA -0.147 4.379 4.527 -0.001 0.000 0.228 210 F C -1.313 174.434 175.800 -0.088 0.000 1.029 210 F CA -0.366 57.594 58.000 -0.066 0.000 0.907 210 F CB -1.506 37.468 39.000 -0.043 0.000 0.893 210 F HN 0.201 nan 8.300 nan 0.000 0.845 211 P HA -0.031 nan 4.420 nan 0.000 0.236 211 P C 0.222 177.474 177.300 -0.080 0.000 1.177 211 P CA 1.044 64.130 63.100 -0.022 0.000 0.773 211 P CB 0.457 32.138 31.700 -0.032 0.000 0.878 212 N N -0.727 117.858 118.700 -0.192 0.000 2.818 212 N HA 0.188 4.927 4.740 -0.001 0.000 0.312 212 N C 0.083 175.410 175.510 -0.304 0.000 1.368 212 N CA -0.710 52.104 53.050 -0.393 0.000 0.817 212 N CB -0.314 37.582 38.487 -0.984 0.000 1.116 212 N HN 0.102 nan 8.380 nan 0.000 0.519 213 H N -1.881 116.998 119.070 -0.319 0.000 2.771 213 H HA 0.251 4.807 4.556 -0.001 0.000 0.364 213 H C 0.336 175.588 175.328 -0.126 0.000 1.133 213 H CA -0.221 55.729 56.048 -0.164 0.000 1.423 213 H CB -0.644 29.045 29.762 -0.121 0.000 1.425 213 H HN 0.587 nan 8.280 nan 0.000 0.606 214 H N 1.744 120.858 119.070 0.073 0.000 3.001 214 H HA 0.172 4.727 4.556 -0.001 0.000 0.334 214 H C -2.164 173.181 175.328 0.028 0.000 1.034 214 H CA -1.627 54.388 56.048 -0.055 0.000 1.420 214 H CB -0.441 29.288 29.762 -0.055 0.000 1.405 214 H HN 0.853 nan 8.280 nan 0.000 0.593 215 P HA 0.189 nan 4.420 nan 0.000 0.231 215 P C -1.096 176.192 177.300 -0.020 0.000 1.811 215 P CA 0.139 63.221 63.100 -0.030 0.000 1.051 215 P CB -0.121 31.507 31.700 -0.120 0.000 1.951 216 D N 3.060 123.439 120.400 -0.034 0.000 2.363 216 D HA 0.172 4.811 4.640 -0.001 0.000 0.258 216 D C -1.757 174.459 176.300 -0.141 0.000 1.259 216 D CA -2.236 51.671 54.000 -0.155 0.000 0.921 216 D CB 1.324 41.968 40.800 -0.259 0.000 1.201 216 D HN 0.048 nan 8.370 nan 0.000 0.524 217 P HA 0.060 nan 4.420 nan 0.000 0.239 217 P C 1.283 178.514 177.300 -0.114 0.000 1.184 217 P CA 0.269 63.296 63.100 -0.123 0.000 0.760 217 P CB 0.326 31.951 31.700 -0.126 0.000 0.884 218 G N 0.077 108.806 108.800 -0.118 0.000 2.421 218 G HA2 -0.069 3.890 3.960 -0.001 0.000 0.217 218 G HA3 -0.069 3.890 3.960 -0.001 0.000 0.217 218 G C 0.889 175.771 174.900 -0.030 0.000 1.143 218 G CA 0.367 45.431 45.100 -0.060 0.000 0.784 218 G HN 0.506 nan 8.290 nan 0.000 0.541 219 K N 1.165 121.520 120.400 -0.075 0.000 2.276 219 K HA 0.548 4.868 4.320 -0.001 0.000 0.285 219 K C -1.335 175.230 176.600 -0.058 0.000 1.062 219 K CA -1.468 54.786 56.287 -0.054 0.000 0.918 219 K CB 0.610 33.069 32.500 -0.070 0.000 1.055 219 K HN -0.003 nan 8.250 nan 0.000 0.477 220 P HA -0.225 nan 4.420 nan 0.000 0.218 220 P C 0.343 177.599 177.300 -0.073 0.000 1.146 220 P CA 1.356 64.431 63.100 -0.040 0.000 0.813 220 P CB 0.347 32.046 31.700 -0.002 0.000 0.778 221 E N -0.984 119.175 120.200 -0.069 0.000 2.208 221 E HA -0.094 4.256 4.350 -0.001 0.000 0.193 221 E C 1.295 177.814 176.600 -0.135 0.000 0.988 221 E CA 0.742 57.098 56.400 -0.073 0.000 0.828 221 E CB -0.765 28.908 29.700 -0.045 0.000 0.763 221 E HN 0.305 nan 8.360 nan 0.000 0.478 222 N N 0.108 118.688 118.700 -0.199 0.000 2.398 222 N HA 0.058 4.797 4.740 -0.001 0.000 0.188 222 N C 0.694 175.893 175.510 -0.518 0.000 1.122 222 N CA 0.460 53.248 53.050 -0.437 0.000 0.866 222 N CB 0.443 38.745 38.487 -0.308 0.000 0.970 222 N HN 0.238 nan 8.380 nan 0.000 0.462 223 L N -0.075 120.988 121.223 -0.268 0.000 2.693 223 L HA 0.163 4.502 4.340 -0.001 0.000 0.235 223 L C 2.359 179.156 176.870 -0.121 0.000 1.127 223 L CA 0.065 54.791 54.840 -0.190 0.000 0.914 223 L CB -0.065 41.902 42.059 -0.154 0.000 1.193 223 L HN 0.014 nan 8.230 nan 0.000 0.502 224 K N 0.286 120.623 120.400 -0.105 0.000 2.026 224 K HA -0.205 4.115 4.320 -0.001 0.000 0.208 224 K C 1.568 178.166 176.600 -0.004 0.000 1.048 224 K CA 2.113 58.373 56.287 -0.044 0.000 0.929 224 K CB -0.711 31.773 32.500 -0.025 0.000 0.713 224 K HN 0.227 nan 8.250 nan 0.000 0.439 225 D N 0.171 120.596 120.400 0.042 0.000 2.117 225 D HA -0.098 4.542 4.640 -0.001 0.000 0.197 225 D C 1.934 178.265 176.300 0.052 0.000 0.987 225 D CA 1.256 55.322 54.000 0.110 0.000 0.829 225 D CB -0.322 40.669 40.800 0.317 0.000 0.961 225 D HN 0.265 nan 8.370 nan 0.000 0.460 226 L N 0.919 122.162 121.223 0.032 0.000 2.012 226 L HA -0.137 4.202 4.340 -0.001 0.000 0.210 226 L C 2.170 179.023 176.870 -0.029 0.000 1.073 226 L CA 1.425 56.261 54.840 -0.007 0.000 0.748 226 L CB -0.537 41.504 42.059 -0.030 0.000 0.891 226 L HN -0.021 nan 8.230 nan 0.000 0.431 227 I N -0.477 120.069 120.570 -0.039 0.000 2.179 227 I HA -0.320 3.850 4.170 -0.001 0.000 0.242 227 I C 2.615 178.716 176.117 -0.025 0.000 1.088 227 I CA 1.325 62.599 61.300 -0.042 0.000 1.357 227 I CB -0.722 37.247 38.000 -0.051 0.000 1.051 227 I HN 0.374 nan 8.210 nan 0.000 0.409 228 A N 0.543 123.355 122.820 -0.013 0.000 1.908 228 A HA -0.285 4.035 4.320 -0.001 0.000 0.218 228 A C 2.283 179.862 177.584 -0.008 0.000 1.181 228 A CA 2.160 54.194 52.037 -0.006 0.000 0.627 228 A CB -0.500 18.505 19.000 0.007 0.000 0.818 228 A HN 0.264 nan 8.150 nan 0.000 0.445 229 K N -0.382 120.012 120.400 -0.011 0.000 2.097 229 K HA -0.020 4.300 4.320 -0.001 0.000 0.205 229 K C 1.684 178.273 176.600 -0.019 0.000 1.050 229 K CA 1.466 57.742 56.287 -0.019 0.000 0.938 229 K CB -0.512 31.969 32.500 -0.032 0.000 0.718 229 K HN 0.187 nan 8.250 nan 0.000 0.442 230 V N 1.130 121.031 119.914 -0.021 0.000 2.343 230 V HA -0.271 3.848 4.120 -0.001 0.000 0.247 230 V C 2.036 178.121 176.094 -0.014 0.000 1.051 230 V CA 1.977 64.265 62.300 -0.020 0.000 1.036 230 V CB -0.352 31.455 31.823 -0.028 0.000 0.654 230 V HN 0.339 nan 8.190 nan 0.000 0.451 231 K N 0.230 120.622 120.400 -0.014 0.000 2.031 231 K HA -0.022 4.297 4.320 -0.001 0.000 0.205 231 K C 2.297 178.893 176.600 -0.007 0.000 1.049 231 K CA 1.360 57.642 56.287 -0.010 0.000 0.939 231 K CB -0.436 32.058 32.500 -0.010 0.000 0.717 231 K HN 0.435 nan 8.250 nan 0.000 0.438 232 A N 1.501 124.317 122.820 -0.007 0.000 2.019 232 A HA -0.145 4.175 4.320 -0.001 0.000 0.219 232 A C 1.556 179.137 177.584 -0.006 0.000 1.164 232 A CA 1.422 53.456 52.037 -0.005 0.000 0.644 232 A CB -0.103 18.894 19.000 -0.005 0.000 0.805 232 A HN 0.162 nan 8.150 nan 0.000 0.449 233 E N -1.344 118.851 120.200 -0.008 0.000 2.481 233 E HA 0.127 4.476 4.350 -0.001 0.000 0.198 233 E C 0.727 177.324 176.600 -0.005 0.000 1.027 233 E CA 0.690 57.086 56.400 -0.007 0.000 0.900 233 E CB -0.988 28.706 29.700 -0.010 0.000 0.993 233 E HN 0.835 nan 8.360 nan 0.000 0.482 234 N N 0.804 119.501 118.700 -0.004 0.000 2.740 234 N HA -0.204 4.536 4.740 -0.001 0.000 0.248 234 N C 0.351 175.860 175.510 -0.002 0.000 1.062 234 N CA 0.674 53.723 53.050 -0.002 0.000 0.704 234 N CB -2.160 36.326 38.487 -0.001 0.000 0.968 234 N HN 0.347 nan 8.380 nan 0.000 0.547 235 A N -0.835 121.983 122.820 -0.004 0.000 2.313 235 A HA 0.560 4.879 4.320 -0.001 0.000 0.261 235 A C 1.080 178.664 177.584 0.001 0.000 1.090 235 A CA 0.424 52.459 52.037 -0.003 0.000 0.807 235 A CB 0.479 19.475 19.000 -0.007 0.000 1.055 235 A HN 0.474 nan 8.150 nan 0.000 0.492 236 D N -1.005 119.397 120.400 0.003 0.000 2.289 236 D HA 0.198 4.837 4.640 -0.001 0.000 0.207 236 D C -0.198 176.111 176.300 0.014 0.000 0.966 236 D CA 1.098 55.104 54.000 0.010 0.000 0.868 236 D CB 0.161 40.966 40.800 0.008 0.000 0.943 236 D HN 0.262 nan 8.370 nan 0.000 0.514 237 L N -0.945 120.280 121.223 0.004 0.000 2.672 237 L HA 0.504 4.844 4.340 -0.001 0.000 0.256 237 L C -1.311 175.545 176.870 -0.023 0.000 0.946 237 L CA -0.561 54.277 54.840 -0.003 0.000 0.889 237 L CB 2.068 44.133 42.059 0.010 0.000 1.441 237 L HN -0.100 nan 8.230 nan 0.000 0.418 238 G N 3.208 111.979 108.800 -0.048 0.000 2.461 238 G HA2 0.703 4.662 3.960 -0.001 0.000 0.323 238 G HA3 0.703 4.662 3.960 -0.001 0.000 0.323 238 G C -1.796 173.040 174.900 -0.106 0.000 1.229 238 G CA -0.515 44.546 45.100 -0.065 0.000 0.941 238 G HN 0.572 nan 8.290 nan 0.000 0.477 239 L N 1.104 122.257 121.223 -0.118 0.000 2.386 239 L HA 0.796 5.136 4.340 -0.001 0.000 0.271 239 L C 0.080 176.780 176.870 -0.283 0.000 0.993 239 L CA -1.016 53.678 54.840 -0.244 0.000 0.819 239 L CB 2.439 44.344 42.059 -0.256 0.000 1.294 239 L HN 0.648 nan 8.230 nan 0.000 0.414 240 A N 2.547 125.121 122.820 -0.410 0.000 2.374 240 A HA 0.843 5.163 4.320 -0.001 0.000 0.305 240 A C -1.366 175.951 177.584 -0.446 0.000 1.053 240 A CA -0.319 51.554 52.037 -0.272 0.000 0.726 240 A CB 0.858 19.776 19.000 -0.137 0.000 1.229 240 A HN 0.453 nan 8.150 nan 0.000 0.431 241 F N 1.754 121.731 119.950 0.045 0.000 2.458 241 F HA 0.414 4.941 4.527 -0.001 0.000 0.330 241 F C 0.812 176.631 175.800 0.031 0.000 1.082 241 F CA -0.516 57.504 58.000 0.033 0.000 0.995 241 F CB 1.525 40.554 39.000 0.048 0.000 1.170 241 F HN 0.728 nan 8.300 nan 0.000 0.478 242 D N 0.768 121.275 120.400 0.180 0.000 2.411 242 D HA 0.138 4.778 4.640 -0.001 0.000 0.251 242 D C 1.366 177.741 176.300 0.125 0.000 1.201 242 D CA -0.240 53.821 54.000 0.102 0.000 0.996 242 D CB 0.700 41.524 40.800 0.041 0.000 1.101 242 D HN 0.617 nan 8.370 nan 0.000 0.504 243 G N -0.062 108.783 108.800 0.076 0.000 2.469 243 G HA2 -0.280 3.679 3.960 -0.001 0.000 0.220 243 G HA3 -0.280 3.679 3.960 -0.001 0.000 0.220 243 G C 0.914 175.872 174.900 0.097 0.000 1.136 243 G CA 1.364 46.512 45.100 0.080 0.000 0.759 243 G HN 0.756 nan 8.290 nan 0.000 0.562 244 D N -1.304 119.134 120.400 0.064 0.000 2.398 244 D HA 0.203 4.843 4.640 -0.001 0.000 0.210 244 D C 1.612 177.914 176.300 0.004 0.000 1.094 244 D CA 0.695 54.706 54.000 0.020 0.000 0.839 244 D CB -0.350 40.445 40.800 -0.008 0.000 0.963 244 D HN 0.545 nan 8.370 nan 0.000 0.506 245 G N 2.323 111.159 108.800 0.059 0.000 2.143 245 G HA2 -0.298 3.661 3.960 -0.001 0.000 0.249 245 G HA3 -0.298 3.661 3.960 -0.001 0.000 0.249 245 G C 0.472 175.446 174.900 0.124 0.000 0.981 245 G CA 0.536 45.684 45.100 0.080 0.000 0.665 245 G HN 0.517 nan 8.290 nan 0.000 0.528 246 D N -0.561 119.898 120.400 0.098 0.000 2.339 246 D HA 0.153 4.792 4.640 -0.001 0.000 0.217 246 D C 1.037 177.347 176.300 0.018 0.000 1.050 246 D CA 0.165 54.249 54.000 0.141 0.000 0.856 246 D CB 0.210 41.135 40.800 0.208 0.000 0.922 246 D HN 0.553 nan 8.370 nan 0.000 0.518 247 R N -0.294 120.181 120.500 -0.042 0.000 2.750 247 R HA 0.677 5.016 4.340 -0.001 0.000 0.281 247 R C -1.578 174.727 176.300 0.010 0.000 0.972 247 R CA -1.025 54.984 56.100 -0.152 0.000 0.912 247 R CB 3.213 33.323 30.300 -0.317 0.000 1.187 247 R HN -0.028 nan 8.270 nan 0.000 0.464 248 V N 1.112 120.998 119.914 -0.047 0.000 2.709 248 V HA 0.779 4.898 4.120 -0.001 0.000 0.308 248 V C -0.629 175.351 176.094 -0.191 0.000 1.062 248 V CA -0.371 61.820 62.300 -0.181 0.000 0.901 248 V CB 2.074 33.792 31.823 -0.175 0.000 1.003 248 V HN 0.894 nan 8.190 nan 0.000 0.425 249 G N 4.179 112.819 108.800 -0.266 0.000 2.432 249 G HA2 0.673 4.633 3.960 -0.001 0.000 0.331 249 G HA3 0.673 4.633 3.960 -0.001 0.000 0.331 249 G C -1.493 173.245 174.900 -0.270 0.000 1.170 249 G CA -0.596 44.364 45.100 -0.234 0.000 0.943 249 G HN 0.910 nan 8.290 nan 0.000 0.483 250 V N 0.914 120.662 119.914 -0.277 0.000 2.638 250 V HA 0.675 4.795 4.120 -0.001 0.000 0.306 250 V C -0.151 175.766 176.094 -0.295 0.000 1.052 250 V CA -0.750 61.387 62.300 -0.272 0.000 0.885 250 V CB 1.570 33.216 31.823 -0.295 0.000 0.999 250 V HN 1.014 nan 8.190 nan 0.000 0.424 251 V N 1.190 120.972 119.914 -0.220 0.000 2.789 251 V HA 0.876 4.995 4.120 -0.001 0.000 0.311 251 V C 0.133 176.151 176.094 -0.126 0.000 1.073 251 V CA -0.239 61.944 62.300 -0.196 0.000 0.921 251 V CB 1.860 33.588 31.823 -0.158 0.000 1.009 251 V HN 0.993 nan 8.190 nan 0.000 0.426 252 T N 1.067 115.557 114.554 -0.106 0.000 2.754 252 T HA 0.189 4.538 4.350 -0.001 0.000 0.286 252 T C 1.315 176.005 174.700 -0.016 0.000 0.997 252 T CA 0.288 62.373 62.100 -0.025 0.000 0.982 252 T CB 0.515 69.387 68.868 0.006 0.000 1.027 252 T HN 1.067 nan 8.240 nan 0.000 0.529 253 N N 0.456 119.164 118.700 0.014 0.000 2.348 253 N HA -0.162 4.577 4.740 -0.001 0.000 0.185 253 N C 1.468 176.979 175.510 0.002 0.000 1.019 253 N CA 1.800 54.856 53.050 0.010 0.000 0.880 253 N CB -1.132 37.371 38.487 0.027 0.000 0.965 253 N HN 0.856 nan 8.380 nan 0.000 0.437 254 T N -5.257 109.296 114.554 -0.002 0.000 3.086 254 T HA 0.429 4.779 4.350 -0.001 0.000 0.250 254 T C 1.316 175.999 174.700 -0.028 0.000 1.074 254 T CA 0.369 62.462 62.100 -0.011 0.000 0.988 254 T CB -0.068 68.793 68.868 -0.013 0.000 0.988 254 T HN 0.411 nan 8.240 nan 0.000 0.530 255 G N 1.013 109.788 108.800 -0.041 0.000 2.157 255 G HA2 -0.229 3.730 3.960 -0.001 0.000 0.239 255 G HA3 -0.229 3.730 3.960 -0.001 0.000 0.239 255 G C 0.128 174.979 174.900 -0.083 0.000 0.982 255 G CA -0.026 45.039 45.100 -0.058 0.000 0.650 255 G HN 0.676 nan 8.290 nan 0.000 0.527 256 T N 1.546 116.047 114.554 -0.088 0.000 2.834 256 T HA 0.463 4.812 4.350 -0.001 0.000 0.298 256 T C 1.022 175.602 174.700 -0.199 0.000 0.966 256 T CA 0.148 62.178 62.100 -0.117 0.000 1.141 256 T CB 1.039 69.850 68.868 -0.094 0.000 0.905 256 T HN 0.326 nan 8.240 nan 0.000 0.535 257 I N 4.328 124.747 120.570 -0.253 0.000 2.471 257 I HA 0.162 4.332 4.170 -0.001 0.000 0.286 257 I C 0.156 175.925 176.117 -0.580 0.000 1.079 257 I CA -0.343 60.696 61.300 -0.435 0.000 1.398 257 I CB 0.489 38.175 38.000 -0.523 0.000 1.403 257 I HN 0.353 nan 8.210 nan 0.000 0.530 258 I N 7.661 127.859 120.570 -0.621 0.000 2.328 258 I HA 0.236 4.405 4.170 -0.001 0.000 0.287 258 I C -0.101 175.667 176.117 -0.583 0.000 1.012 258 I CA -0.577 60.345 61.300 -0.630 0.000 1.195 258 I CB 0.279 37.746 38.000 -0.889 0.000 1.350 258 I HN 0.367 nan 8.210 nan 0.000 0.464 259 Y N 7.800 127.982 120.300 -0.198 0.000 2.300 259 Y HA 0.207 4.757 4.550 -0.001 0.000 0.328 259 Y C -1.132 174.697 175.900 -0.118 0.000 1.270 259 Y CA -1.525 56.499 58.100 -0.128 0.000 1.352 259 Y CB -0.018 38.397 38.460 -0.076 0.000 1.286 259 Y HN 0.413 nan 8.280 nan 0.000 0.536 260 P HA -0.169 nan 4.420 nan 0.000 0.218 260 P C 0.775 178.106 177.300 0.052 0.000 1.148 260 P CA 1.888 65.028 63.100 0.066 0.000 0.822 260 P CB 0.192 31.963 31.700 0.118 0.000 0.784 261 D N -0.602 119.833 120.400 0.058 0.000 2.144 261 D HA -0.174 4.466 4.640 -0.001 0.000 0.200 261 D C 1.986 178.256 176.300 -0.050 0.000 0.978 261 D CA 1.144 55.144 54.000 0.001 0.000 0.833 261 D CB -0.932 39.860 40.800 -0.014 0.000 0.961 261 D HN 0.129 nan 8.370 nan 0.000 0.470 262 R N -0.042 120.441 120.500 -0.028 0.000 2.090 262 R HA 0.091 4.431 4.340 -0.001 0.000 0.228 262 R C 2.564 178.835 176.300 -0.048 0.000 1.110 262 R CA 0.305 56.377 56.100 -0.046 0.000 0.973 262 R CB -0.316 29.979 30.300 -0.008 0.000 0.869 262 R HN 0.164 nan 8.270 nan 0.000 0.440 263 L N 0.756 121.912 121.223 -0.113 0.000 2.042 263 L HA -0.222 4.117 4.340 -0.001 0.000 0.210 263 L C 2.146 178.868 176.870 -0.245 0.000 1.076 263 L CA 1.433 56.163 54.840 -0.183 0.000 0.749 263 L CB -0.221 41.702 42.059 -0.225 0.000 0.893 263 L HN 0.370 nan 8.230 nan 0.000 0.432 264 L N -1.130 120.049 121.223 -0.073 0.000 2.191 264 L HA -0.254 4.086 4.340 -0.001 0.000 0.212 264 L C 2.582 179.417 176.870 -0.057 0.000 1.103 264 L CA 0.969 55.826 54.840 0.029 0.000 0.769 264 L CB -0.221 41.872 42.059 0.058 0.000 0.908 264 L HN 0.371 nan 8.230 nan 0.000 0.438 265 M N -1.049 118.426 119.600 -0.208 0.000 2.117 265 M HA -0.251 4.229 4.480 -0.001 0.000 0.262 265 M C 2.259 178.325 176.300 -0.391 0.000 1.065 265 M CA 1.670 56.729 55.300 -0.401 0.000 1.114 265 M CB -0.324 31.795 32.600 -0.803 0.000 1.361 265 M HN 0.207 nan 8.290 nan 0.000 0.408 266 L N -0.311 120.724 121.223 -0.313 0.000 2.027 266 L HA -0.124 4.215 4.340 -0.001 0.000 0.206 266 L C 2.058 178.960 176.870 0.053 0.000 1.074 266 L CA 1.793 56.574 54.840 -0.099 0.000 0.745 266 L CB -0.513 41.463 42.059 -0.138 0.000 0.898 266 L HN 0.073 nan 8.230 nan 0.000 0.433 267 F N -0.058 119.915 119.950 0.040 0.000 2.134 267 F HA -0.115 4.412 4.527 -0.001 0.000 0.299 267 F C 2.568 178.382 175.800 0.025 0.000 1.097 267 F CA 0.848 58.893 58.000 0.076 0.000 1.264 267 F CB -1.615 37.428 39.000 0.072 0.000 1.001 267 F HN 0.186 nan 8.300 nan 0.000 0.479 268 A N -0.126 122.799 122.820 0.175 0.000 1.902 268 A HA -0.238 4.082 4.320 -0.001 0.000 0.217 268 A C 2.338 179.942 177.584 0.033 0.000 1.181 268 A CA 1.849 53.942 52.037 0.093 0.000 0.623 268 A CB -0.830 18.215 19.000 0.074 0.000 0.818 268 A HN 0.341 nan 8.150 nan 0.000 0.443 269 K N -0.392 119.984 120.400 -0.039 0.000 2.044 269 K HA -0.284 4.036 4.320 -0.001 0.000 0.210 269 K C 1.761 178.239 176.600 -0.204 0.000 1.049 269 K CA 2.167 58.268 56.287 -0.311 0.000 0.927 269 K CB -0.299 32.009 32.500 -0.319 0.000 0.713 269 K HN 0.452 nan 8.250 nan 0.000 0.443 270 D N -0.359 120.020 120.400 -0.034 0.000 2.097 270 D HA -0.122 4.517 4.640 -0.001 0.000 0.197 270 D C 1.857 178.174 176.300 0.028 0.000 0.984 270 D CA 1.212 55.219 54.000 0.012 0.000 0.826 270 D CB 0.138 41.001 40.800 0.105 0.000 0.973 270 D HN 0.064 nan 8.370 nan 0.000 0.460 271 V N -0.122 119.837 119.914 0.075 0.000 2.295 271 V HA -0.190 3.929 4.120 -0.001 0.000 0.246 271 V C 2.573 178.690 176.094 0.039 0.000 1.049 271 V CA 1.281 63.628 62.300 0.077 0.000 1.024 271 V CB -0.362 31.523 31.823 0.104 0.000 0.648 271 V HN 0.155 nan 8.190 nan 0.000 0.447 272 V N 1.033 120.962 119.914 0.025 0.000 2.490 272 V HA -0.224 3.895 4.120 -0.001 0.000 0.250 272 V C 2.745 178.841 176.094 0.003 0.000 1.061 272 V CA 2.035 64.351 62.300 0.026 0.000 1.064 272 V CB -0.842 31.015 31.823 0.056 0.000 0.670 272 V HN 0.786 nan 8.190 nan 0.000 0.461 273 S N 1.098 116.773 115.700 -0.042 0.000 2.387 273 S HA -0.273 4.197 4.470 -0.001 0.000 0.230 273 S C 1.927 176.522 174.600 -0.009 0.000 1.035 273 S CA 1.708 59.882 58.200 -0.043 0.000 1.014 273 S CB -0.427 62.728 63.200 -0.075 0.000 0.836 273 S HN 0.678 nan 8.310 nan 0.000 0.466 274 R N 1.028 121.529 120.500 0.000 0.000 2.334 274 R HA 0.318 4.657 4.340 -0.001 0.000 0.212 274 R C -0.261 176.047 176.300 0.013 0.000 0.897 274 R CA 0.082 56.187 56.100 0.007 0.000 1.056 274 R CB 0.135 30.440 30.300 0.009 0.000 1.046 274 R HN 0.411 nan 8.270 nan 0.000 0.513 275 N N 1.332 120.043 118.700 0.019 0.000 2.725 275 N HA 0.206 4.945 4.740 -0.001 0.000 0.248 275 N C -2.905 172.620 175.510 0.025 0.000 1.402 275 N CA -1.222 51.840 53.050 0.021 0.000 0.766 275 N CB 1.982 40.484 38.487 0.025 0.000 1.223 275 N HN -0.131 nan 8.380 nan 0.000 0.515 276 P HA 0.072 nan 4.420 nan 0.000 0.264 276 P C 1.052 178.368 177.300 0.027 0.000 1.193 276 P CA 0.879 63.998 63.100 0.031 0.000 0.763 276 P CB 0.517 32.233 31.700 0.027 0.000 0.810 277 G N 1.880 110.700 108.800 0.033 0.000 2.159 277 G HA2 -0.202 3.757 3.960 -0.001 0.000 0.256 277 G HA3 -0.202 3.757 3.960 -0.001 0.000 0.256 277 G C 0.457 175.368 174.900 0.020 0.000 0.977 277 G CA -0.035 45.080 45.100 0.025 0.000 0.652 277 G HN 0.857 nan 8.290 nan 0.000 0.531 278 A N 0.108 122.943 122.820 0.025 0.000 2.540 278 A HA 0.473 4.793 4.320 -0.001 0.000 0.239 278 A C 0.340 177.934 177.584 0.016 0.000 1.061 278 A CA 0.603 52.651 52.037 0.018 0.000 0.758 278 A CB 0.207 19.224 19.000 0.027 0.000 0.991 278 A HN 0.353 nan 8.150 nan 0.000 0.502 279 D N 1.170 121.567 120.400 -0.005 0.000 2.389 279 D HA 0.422 5.062 4.640 -0.001 0.000 0.247 279 D C -0.067 176.229 176.300 -0.006 0.000 1.128 279 D CA 0.622 54.611 54.000 -0.018 0.000 0.884 279 D CB 0.562 41.326 40.800 -0.059 0.000 1.194 279 D HN 0.269 nan 8.370 nan 0.000 0.441 280 I N 3.219 123.802 120.570 0.021 0.000 2.447 280 I HA 0.358 4.528 4.170 -0.001 0.000 0.287 280 I C -0.110 176.042 176.117 0.058 0.000 1.023 280 I CA -0.537 60.798 61.300 0.059 0.000 1.083 280 I CB 1.229 39.302 38.000 0.122 0.000 1.245 280 I HN 0.240 nan 8.210 nan 0.000 0.434 281 I N 6.949 127.517 120.570 -0.003 0.000 2.460 281 I HA 0.511 4.680 4.170 -0.001 0.000 0.298 281 I C -0.507 175.621 176.117 0.019 0.000 0.989 281 I CA -0.545 60.673 61.300 -0.136 0.000 1.173 281 I CB 1.429 39.315 38.000 -0.191 0.000 1.338 281 I HN 0.456 nan 8.210 nan 0.000 0.456 282 F N 2.270 122.223 119.950 0.005 0.000 2.685 282 F HA 0.680 5.206 4.527 -0.001 0.000 0.315 282 F C -0.938 174.873 175.800 0.018 0.000 1.126 282 F CA -1.323 56.686 58.000 0.014 0.000 0.950 282 F CB 0.525 39.516 39.000 -0.016 0.000 1.360 282 F HN 0.418 nan 8.300 nan 0.000 0.469 283 D N -0.262 120.254 120.400 0.194 0.000 2.478 283 D HA 0.329 4.969 4.640 -0.001 0.000 0.263 283 D C 0.975 177.306 176.300 0.051 0.000 1.153 283 D CA -0.389 53.648 54.000 0.062 0.000 1.038 283 D CB 1.096 41.931 40.800 0.058 0.000 1.120 283 D HN 0.655 nan 8.370 nan 0.000 0.564 284 V N -2.524 117.363 119.914 -0.045 0.000 3.241 284 V HA -0.031 4.089 4.120 -0.001 0.000 0.269 284 V C 1.262 177.285 176.094 -0.120 0.000 1.151 284 V CA 0.957 63.196 62.300 -0.102 0.000 1.158 284 V CB -1.231 30.529 31.823 -0.106 0.000 0.764 284 V HN 0.478 nan 8.190 nan 0.000 0.508 285 K N -0.474 119.912 120.400 -0.023 0.000 2.374 285 K HA 0.280 4.599 4.320 -0.001 0.000 0.196 285 K C 0.379 177.018 176.600 0.066 0.000 1.023 285 K CA -0.092 56.243 56.287 0.081 0.000 1.103 285 K CB 0.246 32.801 32.500 0.092 0.000 0.848 285 K HN 0.489 nan 8.250 nan 0.000 0.528 286 C N 1.488 120.733 119.300 -0.092 0.000 2.463 286 C HA 0.147 4.606 4.460 -0.001 0.000 0.380 286 C C 1.137 175.950 174.990 -0.294 0.000 1.264 286 C CA -0.852 58.106 59.018 -0.099 0.000 2.161 286 C CB 0.773 28.477 27.740 -0.059 0.000 2.515 286 C HN 0.345 nan 8.230 nan 0.000 0.565 287 T N 1.687 116.202 114.554 -0.066 0.000 2.933 287 T HA -0.006 4.343 4.350 -0.001 0.000 0.306 287 T C 1.413 175.955 174.700 -0.263 0.000 1.045 287 T CA 0.063 62.177 62.100 0.023 0.000 1.143 287 T CB 0.280 69.201 68.868 0.088 0.000 1.003 287 T HN 0.836 nan 8.240 nan 0.000 0.540 288 R N 4.263 124.601 120.500 -0.269 0.000 2.241 288 R HA 0.004 4.343 4.340 -0.001 0.000 0.224 288 R C 1.927 178.141 176.300 -0.143 0.000 1.101 288 R CA 1.036 56.980 56.100 -0.261 0.000 0.995 288 R CB -0.180 30.041 30.300 -0.131 0.000 0.870 288 R HN 0.434 nan 8.270 nan 0.000 0.463 289 R N 0.508 120.963 120.500 -0.074 0.000 2.189 289 R HA -0.025 4.314 4.340 -0.001 0.000 0.223 289 R C 1.857 178.067 176.300 -0.150 0.000 1.092 289 R CA 0.758 56.818 56.100 -0.067 0.000 0.989 289 R CB -0.695 29.600 30.300 -0.009 0.000 0.876 289 R HN 0.309 nan 8.270 nan 0.000 0.457 290 L N 0.881 121.946 121.223 -0.263 0.000 2.109 290 L HA -0.014 4.325 4.340 -0.001 0.000 0.207 290 L C 2.020 178.655 176.870 -0.391 0.000 1.086 290 L CA 1.367 55.985 54.840 -0.370 0.000 0.760 290 L CB -0.319 41.406 42.059 -0.556 0.000 0.910 290 L HN -0.001 nan 8.230 nan 0.000 0.437 291 I N -0.348 119.965 120.570 -0.428 0.000 2.179 291 I HA -0.307 3.863 4.170 -0.001 0.000 0.242 291 I C 2.594 178.656 176.117 -0.091 0.000 1.088 291 I CA 1.315 62.484 61.300 -0.218 0.000 1.357 291 I CB -0.774 37.159 38.000 -0.112 0.000 1.051 291 I HN 0.334 nan 8.210 nan 0.000 0.409 292 A N 0.941 123.704 122.820 -0.094 0.000 1.902 292 A HA -0.176 4.144 4.320 -0.001 0.000 0.217 292 A C 2.331 179.866 177.584 -0.080 0.000 1.181 292 A CA 1.262 53.261 52.037 -0.064 0.000 0.623 292 A CB -0.775 18.194 19.000 -0.051 0.000 0.818 292 A HN 0.422 nan 8.150 nan 0.000 0.443 293 L N 0.167 121.334 121.223 -0.094 0.000 2.017 293 L HA -0.142 4.197 4.340 -0.001 0.000 0.208 293 L C 2.244 179.097 176.870 -0.029 0.000 1.073 293 L CA 2.076 56.858 54.840 -0.096 0.000 0.745 293 L CB -1.094 40.922 42.059 -0.072 0.000 0.894 293 L HN 0.463 nan 8.230 nan 0.000 0.432 294 I N -0.534 120.041 120.570 0.008 0.000 2.179 294 I HA -0.291 3.878 4.170 -0.001 0.000 0.242 294 I C 2.783 178.946 176.117 0.076 0.000 1.088 294 I CA 1.486 62.837 61.300 0.085 0.000 1.357 294 I CB -0.435 37.614 38.000 0.081 0.000 1.051 294 I HN 0.271 nan 8.210 nan 0.000 0.409 295 S N 0.571 116.288 115.700 0.028 0.000 2.368 295 S HA -0.146 4.323 4.470 -0.001 0.000 0.225 295 S C 2.120 176.715 174.600 -0.008 0.000 1.030 295 S CA 1.622 59.834 58.200 0.019 0.000 0.999 295 S CB -0.652 62.552 63.200 0.007 0.000 0.844 295 S HN 0.584 nan 8.310 nan 0.000 0.459 296 G N -0.890 107.863 108.800 -0.077 0.000 2.432 296 G HA2 -0.148 3.812 3.960 -0.001 0.000 0.219 296 G HA3 -0.148 3.812 3.960 -0.001 0.000 0.219 296 G C 0.897 175.702 174.900 -0.158 0.000 1.135 296 G CA 0.605 45.609 45.100 -0.160 0.000 0.767 296 G HN 0.596 nan 8.290 nan 0.000 0.550 297 Y N 0.433 120.750 120.300 0.027 0.000 2.529 297 Y HA 0.324 4.874 4.550 -0.001 0.000 0.290 297 Y C 2.116 178.032 175.900 0.026 0.000 1.177 297 Y CA -0.276 57.843 58.100 0.031 0.000 1.305 297 Y CB 0.084 38.567 38.460 0.038 0.000 1.047 297 Y HN 0.299 nan 8.280 nan 0.000 0.522 298 G N -0.695 108.185 108.800 0.132 0.000 2.157 298 G HA2 -0.211 3.748 3.960 -0.001 0.000 0.239 298 G HA3 -0.211 3.748 3.960 -0.001 0.000 0.239 298 G C 0.741 175.689 174.900 0.080 0.000 0.982 298 G CA -0.105 45.048 45.100 0.088 0.000 0.650 298 G HN 0.735 nan 8.290 nan 0.000 0.527 299 G N -0.811 108.048 108.800 0.098 0.000 2.580 299 G HA2 0.553 4.513 3.960 -0.001 0.000 0.278 299 G HA3 0.553 4.513 3.960 -0.001 0.000 0.278 299 G C 0.015 174.952 174.900 0.062 0.000 1.212 299 G CA -0.215 44.933 45.100 0.079 0.000 0.939 299 G HN 0.580 nan 8.290 nan 0.000 0.513 300 R N 1.116 121.646 120.500 0.050 0.000 2.272 300 R HA 0.356 4.695 4.340 -0.001 0.000 0.323 300 R C -2.466 173.866 176.300 0.053 0.000 1.002 300 R CA -1.711 54.410 56.100 0.036 0.000 0.900 300 R CB 1.640 31.943 30.300 0.006 0.000 1.151 300 R HN 0.294 nan 8.270 nan 0.000 0.507 301 P HA 0.081 nan 4.420 nan 0.000 0.281 301 P C -0.884 176.438 177.300 0.036 0.000 1.252 301 P CA -0.232 62.992 63.100 0.206 0.000 0.778 301 P CB 1.655 33.549 31.700 0.323 0.000 0.895 302 V N 5.278 125.087 119.914 -0.176 0.000 2.380 302 V HA 0.286 4.405 4.120 -0.001 0.000 0.286 302 V C 0.477 176.115 176.094 -0.759 0.000 1.015 302 V CA -0.596 61.505 62.300 -0.333 0.000 0.834 302 V CB 1.329 32.994 31.823 -0.263 0.000 1.009 302 V HN 0.615 nan 8.190 nan 0.000 0.428 303 M N 5.673 124.878 119.600 -0.658 0.000 2.200 303 M HA 0.365 4.844 4.480 -0.001 0.000 0.355 303 M C -0.830 175.382 176.300 -0.147 0.000 1.283 303 M CA 0.246 55.128 55.300 -0.696 0.000 1.124 303 M CB 0.907 33.328 32.600 -0.297 0.000 1.625 303 M HN 0.806 nan 8.290 nan 0.000 0.463 304 W N 4.151 125.206 121.300 -0.408 0.000 3.205 304 W HA 0.407 5.066 4.660 -0.001 0.000 0.336 304 W C -0.905 175.512 176.519 -0.170 0.000 1.171 304 W CA -0.919 56.274 57.345 -0.253 0.000 1.035 304 W CB 1.639 30.946 29.460 -0.255 0.000 1.500 304 W HN 0.490 nan 8.180 nan 0.000 0.602 305 K N 1.112 120.972 120.400 -0.900 0.000 2.219 305 K HA 0.160 4.480 4.320 -0.001 0.000 0.258 305 K C 0.351 176.795 176.600 -0.260 0.000 1.008 305 K CA 0.076 55.998 56.287 -0.608 0.000 0.928 305 K CB 0.659 32.687 32.500 -0.788 0.000 0.983 305 K HN 0.301 nan 8.250 nan 0.000 0.484 306 T N -1.039 113.431 114.554 -0.140 0.000 2.900 306 T HA 0.447 4.797 4.350 -0.001 0.000 0.307 306 T C 0.590 175.241 174.700 -0.082 0.000 1.065 306 T CA -0.200 61.879 62.100 -0.034 0.000 1.105 306 T CB 0.761 69.651 68.868 0.037 0.000 0.979 306 T HN 0.837 nan 8.240 nan 0.000 0.544 307 G N 1.502 110.264 108.800 -0.063 0.000 2.742 307 G HA2 0.060 4.020 3.960 -0.001 0.000 0.686 307 G HA3 0.060 4.020 3.960 -0.001 0.000 0.686 307 G C -0.143 174.581 174.900 -0.293 0.000 1.220 307 G CA 0.252 45.186 45.100 -0.277 0.000 0.783 307 G HN 1.411 nan 8.290 nan 0.000 0.646 308 H N -0.208 118.700 119.070 -0.269 0.000 2.372 308 H HA 0.204 4.759 4.556 -0.001 0.000 0.301 308 H C 2.513 177.808 175.328 -0.054 0.000 1.065 308 H CA 2.182 58.193 56.048 -0.063 0.000 1.364 308 H CB -0.047 29.605 29.762 -0.184 0.000 1.406 308 H HN 0.396 nan 8.280 nan 0.000 0.521 309 S N 0.692 115.816 115.700 -0.960 0.000 2.402 309 S HA -0.024 4.445 4.470 -0.001 0.000 0.229 309 S C 2.063 176.470 174.600 -0.321 0.000 1.021 309 S CA 1.149 59.009 58.200 -0.565 0.000 0.974 309 S CB -0.205 62.713 63.200 -0.471 0.000 0.800 309 S HN 0.341 nan 8.310 nan 0.000 0.484 310 L N 0.945 121.931 121.223 -0.394 0.000 2.044 310 L HA -0.049 4.291 4.340 -0.001 0.000 0.205 310 L C 2.200 179.057 176.870 -0.023 0.000 1.075 310 L CA 0.851 55.612 54.840 -0.133 0.000 0.747 310 L CB -0.565 41.397 42.059 -0.162 0.000 0.903 310 L HN 0.293 nan 8.230 nan 0.000 0.435 311 I N 0.292 120.781 120.570 -0.134 0.000 2.226 311 I HA -0.289 3.880 4.170 -0.001 0.000 0.245 311 I C 2.511 178.341 176.117 -0.479 0.000 1.100 311 I CA 1.525 62.658 61.300 -0.277 0.000 1.374 311 I CB -0.875 36.856 38.000 -0.448 0.000 1.057 311 I HN 0.295 nan 8.210 nan 0.000 0.413 312 K N 0.981 121.106 120.400 -0.457 0.000 2.063 312 K HA -0.196 4.124 4.320 -0.001 0.000 0.208 312 K C 2.163 178.653 176.600 -0.184 0.000 1.048 312 K CA 1.511 57.630 56.287 -0.280 0.000 0.928 312 K CB 0.041 32.529 32.500 -0.020 0.000 0.713 312 K HN 0.233 nan 8.250 nan 0.000 0.442 313 K N 0.341 120.646 120.400 -0.159 0.000 2.026 313 K HA -0.177 4.143 4.320 -0.001 0.000 0.208 313 K C 2.091 178.563 176.600 -0.212 0.000 1.048 313 K CA 1.287 57.493 56.287 -0.134 0.000 0.929 313 K CB -0.064 32.389 32.500 -0.079 0.000 0.713 313 K HN -0.100 nan 8.250 nan 0.000 0.439 314 K N 1.182 121.393 120.400 -0.314 0.000 2.097 314 K HA -0.048 4.272 4.320 -0.001 0.000 0.206 314 K C 1.926 178.293 176.600 -0.388 0.000 1.049 314 K CA 1.294 57.263 56.287 -0.530 0.000 0.933 314 K CB -0.081 31.857 32.500 -0.938 0.000 0.717 314 K HN 0.068 nan 8.250 nan 0.000 0.442 315 M N 0.167 119.584 119.600 -0.304 0.000 2.080 315 M HA -0.237 4.242 4.480 -0.001 0.000 0.260 315 M C 2.387 178.592 176.300 -0.158 0.000 1.068 315 M CA 2.499 57.668 55.300 -0.218 0.000 1.109 315 M CB -0.345 32.146 32.600 -0.182 0.000 1.342 315 M HN 0.267 nan 8.290 nan 0.000 0.405 316 K N 0.477 120.795 120.400 -0.137 0.000 2.057 316 K HA -0.181 4.138 4.320 -0.001 0.000 0.207 316 K C 1.464 177.994 176.600 -0.117 0.000 1.049 316 K CA 2.032 58.260 56.287 -0.098 0.000 0.931 316 K CB -1.197 31.257 32.500 -0.076 0.000 0.714 316 K HN 0.640 nan 8.250 nan 0.000 0.440 317 E N 0.015 120.116 120.200 -0.165 0.000 2.208 317 E HA -0.087 4.262 4.350 -0.001 0.000 0.193 317 E C 2.111 178.607 176.600 -0.173 0.000 0.988 317 E CA 1.559 57.856 56.400 -0.171 0.000 0.828 317 E CB 0.109 29.675 29.700 -0.224 0.000 0.763 317 E HN 0.819 nan 8.360 nan 0.000 0.478 318 T N -3.778 110.660 114.554 -0.193 0.000 3.014 318 T HA 0.265 4.614 4.350 -0.001 0.000 0.250 318 T C 1.561 176.190 174.700 -0.119 0.000 1.060 318 T CA 0.302 62.298 62.100 -0.173 0.000 1.040 318 T CB 0.755 69.491 68.868 -0.220 0.000 0.971 318 T HN 0.210 nan 8.240 nan 0.000 0.497 319 G N 1.817 110.555 108.800 -0.103 0.000 2.153 319 G HA2 -0.058 3.901 3.960 -0.001 0.000 0.252 319 G HA3 -0.058 3.901 3.960 -0.001 0.000 0.252 319 G C 0.329 175.193 174.900 -0.061 0.000 0.994 319 G CA -0.025 45.033 45.100 -0.070 0.000 0.698 319 G HN 1.217 nan 8.290 nan 0.000 0.521 320 A N -0.579 122.191 122.820 -0.082 0.000 2.540 320 A HA 0.588 4.907 4.320 -0.001 0.000 0.239 320 A C 1.455 179.021 177.584 -0.030 0.000 1.061 320 A CA 0.722 52.719 52.037 -0.066 0.000 0.758 320 A CB 0.229 19.168 19.000 -0.103 0.000 0.991 320 A HN 0.852 nan 8.150 nan 0.000 0.502 321 L N 1.077 122.296 121.223 -0.006 0.000 2.529 321 L HA 0.252 4.592 4.340 -0.001 0.000 0.223 321 L C -0.009 176.875 176.870 0.023 0.000 1.113 321 L CA 0.311 55.166 54.840 0.025 0.000 0.861 321 L CB -0.130 41.952 42.059 0.039 0.000 1.012 321 L HN 0.620 nan 8.230 nan 0.000 0.461 322 L N -0.216 120.995 121.223 -0.020 0.000 2.513 322 L HA 0.800 5.139 4.340 -0.001 0.000 0.261 322 L C -1.382 175.467 176.870 -0.034 0.000 0.945 322 L CA -0.310 54.473 54.840 -0.094 0.000 0.848 322 L CB 1.884 43.864 42.059 -0.130 0.000 1.334 322 L HN -0.120 nan 8.230 nan 0.000 0.407 323 A N 2.259 125.086 122.820 0.012 0.000 2.556 323 A HA 1.028 5.348 4.320 -0.001 0.000 0.294 323 A C -0.700 177.047 177.584 0.272 0.000 1.091 323 A CA -0.005 52.079 52.037 0.078 0.000 0.704 323 A CB 1.796 20.728 19.000 -0.113 0.000 1.300 323 A HN 1.259 nan 8.150 nan 0.000 0.406 324 G N -0.307 108.665 108.800 0.286 0.000 2.684 324 G HA2 0.708 4.668 3.960 -0.001 0.000 0.290 324 G HA3 0.708 4.668 3.960 -0.001 0.000 0.290 324 G C -1.406 173.694 174.900 0.333 0.000 1.425 324 G CA -0.192 45.134 45.100 0.377 0.000 0.822 324 G HN 1.193 nan 8.290 nan 0.000 0.482 325 E N -0.702 119.705 120.200 0.344 0.000 2.449 325 E HA 0.540 4.890 4.350 -0.001 0.000 0.278 325 E C 0.577 177.312 176.600 0.223 0.000 0.992 325 E CA -1.003 55.557 56.400 0.267 0.000 0.807 325 E CB 1.060 30.923 29.700 0.272 0.000 1.350 325 E HN 0.192 nan 8.360 nan 0.000 0.462 326 M N 0.768 120.470 119.600 0.171 0.000 2.446 326 M HA -0.062 4.418 4.480 -0.001 0.000 0.263 326 M C 1.461 177.840 176.300 0.132 0.000 1.066 326 M CA 1.593 56.971 55.300 0.131 0.000 1.087 326 M CB -1.201 31.451 32.600 0.087 0.000 1.406 326 M HN 0.748 nan 8.290 nan 0.000 0.459 327 S N -1.041 114.762 115.700 0.172 0.000 2.607 327 S HA 0.225 4.695 4.470 -0.001 0.000 0.224 327 S C 1.493 176.146 174.600 0.089 0.000 0.969 327 S CA 0.690 58.981 58.200 0.152 0.000 0.927 327 S CB -0.283 63.059 63.200 0.236 0.000 0.772 327 S HN 0.637 nan 8.310 nan 0.000 0.533 328 G N 0.202 109.068 108.800 0.110 0.000 2.179 328 G HA2 -0.191 3.768 3.960 -0.001 0.000 0.220 328 G HA3 -0.191 3.768 3.960 -0.001 0.000 0.220 328 G C -0.253 174.644 174.900 -0.006 0.000 0.990 328 G CA -0.200 44.916 45.100 0.026 0.000 0.646 328 G HN 0.682 nan 8.290 nan 0.000 0.517 329 H N -0.034 119.107 119.070 0.119 0.000 2.819 329 H HA 0.520 5.076 4.556 -0.001 0.000 0.303 329 H C 0.050 175.396 175.328 0.030 0.000 1.058 329 H CA 0.201 56.267 56.048 0.030 0.000 1.471 329 H CB 1.465 31.265 29.762 0.064 0.000 1.480 329 H HN 0.169 nan 8.280 nan 0.000 0.517 330 V N 5.333 125.262 119.914 0.025 0.000 2.487 330 V HA 0.262 4.382 4.120 -0.001 0.000 0.298 330 V C -0.822 175.257 176.094 -0.025 0.000 1.028 330 V CA -0.790 61.572 62.300 0.103 0.000 0.860 330 V CB 0.918 32.862 31.823 0.203 0.000 0.991 330 V HN 0.555 nan 8.190 nan 0.000 0.427 331 F N 4.530 124.520 119.950 0.068 0.000 2.403 331 F HA 0.616 5.143 4.527 -0.001 0.000 0.355 331 F C -0.358 175.416 175.800 -0.042 0.000 1.119 331 F CA -0.719 57.355 58.000 0.123 0.000 1.007 331 F CB 1.121 40.192 39.000 0.119 0.000 1.194 331 F HN 0.275 nan 8.300 nan 0.000 0.443 332 F N 2.961 123.075 119.950 0.274 0.000 2.415 332 F HA 0.394 4.920 4.527 -0.001 0.000 0.348 332 F C 1.187 177.122 175.800 0.225 0.000 1.119 332 F CA -0.487 57.633 58.000 0.201 0.000 1.069 332 F CB 1.785 40.904 39.000 0.197 0.000 1.124 332 F HN 0.359 nan 8.300 nan 0.000 0.472 333 K N 1.688 122.257 120.400 0.282 0.000 2.262 333 K HA 0.034 4.353 4.320 -0.001 0.000 0.200 333 K C 0.439 177.121 176.600 0.137 0.000 1.058 333 K CA 0.441 56.824 56.287 0.159 0.000 0.974 333 K CB 0.040 32.587 32.500 0.078 0.000 0.910 333 K HN 0.545 nan 8.250 nan 0.000 0.484 334 E N 1.814 122.120 120.200 0.177 0.000 2.493 334 E HA -0.075 4.274 4.350 -0.001 0.000 0.255 334 E C -0.609 176.084 176.600 0.155 0.000 0.999 334 E CA 0.349 56.831 56.400 0.137 0.000 0.934 334 E CB 0.128 29.917 29.700 0.148 0.000 0.940 334 E HN 0.265 nan 8.360 nan 0.000 0.473 335 R N 1.581 122.118 120.500 0.061 0.000 4.000 335 R HA -0.219 4.121 4.340 -0.001 0.000 0.362 335 R C -0.112 176.231 176.300 0.070 0.000 1.183 335 R CA 1.696 57.824 56.100 0.045 0.000 1.011 335 R CB -1.506 28.837 30.300 0.071 0.000 1.501 335 R HN 0.749 nan 8.270 nan 0.000 0.553 336 W N -1.928 119.157 121.300 -0.358 0.000 3.690 336 W HA 0.359 5.018 4.660 -0.001 0.000 0.395 336 W C -0.608 175.494 176.519 -0.694 0.000 1.113 336 W CA -0.537 56.440 57.345 -0.613 0.000 1.158 336 W CB 0.449 29.598 29.460 -0.518 0.000 1.555 336 W HN -0.182 nan 8.180 nan 0.000 0.628 337 F N 0.583 120.139 119.950 -0.657 0.000 2.746 337 F HA 0.296 4.823 4.527 -0.001 0.000 0.320 337 F C 1.425 177.070 175.800 -0.258 0.000 1.097 337 F CA 0.812 58.497 58.000 -0.525 0.000 1.195 337 F CB 0.738 39.309 39.000 -0.715 0.000 1.056 337 F HN 0.594 nan 8.300 nan 0.000 0.562 338 G N 0.921 109.720 108.800 -0.001 0.000 2.176 338 G HA2 -0.303 3.656 3.960 -0.001 0.000 0.253 338 G HA3 -0.303 3.656 3.960 -0.001 0.000 0.253 338 G C 0.225 175.325 174.900 0.334 0.000 0.979 338 G CA 0.173 45.374 45.100 0.169 0.000 0.641 338 G HN 0.298 nan 8.290 nan 0.000 0.530 339 F N 1.542 121.745 119.950 0.421 0.000 2.408 339 F HA 0.693 5.219 4.527 -0.001 0.000 0.325 339 F C 0.317 176.374 175.800 0.428 0.000 1.082 339 F CA -2.140 56.113 58.000 0.421 0.000 1.032 339 F CB 0.469 39.602 39.000 0.222 0.000 1.259 339 F HN 0.108 nan 8.300 nan 0.000 0.503 340 D N 0.570 121.215 120.400 0.408 0.000 2.389 340 D HA 0.234 4.873 4.640 -0.001 0.000 0.247 340 D C -1.042 175.548 176.300 0.485 0.000 1.128 340 D CA -0.006 53.949 54.000 -0.076 0.000 0.884 340 D CB 1.315 41.805 40.800 -0.516 0.000 1.194 340 D HN 0.655 nan 8.370 nan 0.000 0.441 341 D N 0.735 121.368 120.400 0.388 0.000 2.354 341 D HA 0.217 4.856 4.640 -0.001 0.000 0.230 341 D C 0.978 177.491 176.300 0.355 0.000 1.361 341 D CA -0.660 53.637 54.000 0.495 0.000 0.992 341 D CB 1.185 42.433 40.800 0.747 0.000 1.409 341 D HN 0.396 nan 8.370 nan 0.000 0.573 342 G N 2.539 111.527 108.800 0.314 0.000 2.422 342 G HA2 -0.138 3.822 3.960 -0.001 0.000 0.218 342 G HA3 -0.138 3.822 3.960 -0.001 0.000 0.218 342 G C 1.595 176.782 174.900 0.479 0.000 1.140 342 G CA 0.540 45.854 45.100 0.357 0.000 0.775 342 G HN 0.567 nan 8.290 nan 0.000 0.545 343 I N -0.990 119.802 120.570 0.369 0.000 2.233 343 I HA -0.086 4.083 4.170 -0.001 0.000 0.243 343 I C 2.404 178.606 176.117 0.141 0.000 1.093 343 I CA 0.890 62.327 61.300 0.228 0.000 1.380 343 I CB -0.247 37.802 38.000 0.081 0.000 1.067 343 I HN 0.179 nan 8.210 nan 0.000 0.413 344 Y N 1.533 121.812 120.300 -0.036 0.000 2.242 344 Y HA -0.225 4.324 4.550 -0.001 0.000 0.291 344 Y C 2.726 178.413 175.900 -0.355 0.000 1.137 344 Y CA 1.523 59.385 58.100 -0.398 0.000 1.181 344 Y CB -0.251 37.713 38.460 -0.827 0.000 0.989 344 Y HN 0.043 nan 8.280 nan 0.000 0.527 345 S N 0.393 116.023 115.700 -0.116 0.000 2.368 345 S HA -0.226 4.244 4.470 -0.001 0.000 0.225 345 S C 2.300 176.923 174.600 0.038 0.000 1.030 345 S CA 1.058 59.243 58.200 -0.025 0.000 0.999 345 S CB -0.845 62.540 63.200 0.308 0.000 0.844 345 S HN 0.634 nan 8.310 nan 0.000 0.459 346 A N 1.786 124.657 122.820 0.086 0.000 1.883 346 A HA 0.013 4.332 4.320 -0.001 0.000 0.217 346 A C 2.391 179.953 177.584 -0.037 0.000 1.186 346 A CA 1.861 53.953 52.037 0.091 0.000 0.624 346 A CB -1.207 17.936 19.000 0.237 0.000 0.822 346 A HN 0.532 nan 8.150 nan 0.000 0.444 347 A N -0.568 122.137 122.820 -0.193 0.000 1.877 347 A HA -0.174 4.146 4.320 -0.001 0.000 0.216 347 A C 2.214 179.568 177.584 -0.384 0.000 1.186 347 A CA 1.568 53.419 52.037 -0.309 0.000 0.620 347 A CB -0.470 18.262 19.000 -0.446 0.000 0.822 347 A HN 0.405 nan 8.150 nan 0.000 0.443 348 R N -0.952 119.172 120.500 -0.628 0.000 2.096 348 R HA -0.096 4.243 4.340 -0.001 0.000 0.235 348 R C 2.050 178.318 176.300 -0.052 0.000 1.127 348 R CA 1.356 57.101 56.100 -0.592 0.000 0.968 348 R CB -1.206 28.347 30.300 -1.245 0.000 0.861 348 R HN 0.555 nan 8.270 nan 0.000 0.440 349 L N 0.956 122.289 121.223 0.184 0.000 2.027 349 L HA -0.066 4.274 4.340 -0.001 0.000 0.206 349 L C 2.153 179.077 176.870 0.091 0.000 1.074 349 L CA 1.507 56.520 54.840 0.288 0.000 0.745 349 L CB -0.630 41.585 42.059 0.259 0.000 0.898 349 L HN 0.050 nan 8.230 nan 0.000 0.433 350 L N -0.334 120.902 121.223 0.022 0.000 2.079 350 L HA -0.246 4.093 4.340 -0.001 0.000 0.210 350 L C 2.606 179.455 176.870 -0.034 0.000 1.081 350 L CA 1.745 56.578 54.840 -0.011 0.000 0.752 350 L CB -0.651 41.389 42.059 -0.030 0.000 0.896 350 L HN 0.488 nan 8.230 nan 0.000 0.433 351 E N 0.828 120.988 120.200 -0.066 0.000 2.051 351 E HA -0.240 4.110 4.350 -0.001 0.000 0.192 351 E C 2.282 178.857 176.600 -0.042 0.000 0.991 351 E CA 1.428 57.783 56.400 -0.076 0.000 0.799 351 E CB -0.035 29.587 29.700 -0.130 0.000 0.748 351 E HN 0.476 nan 8.360 nan 0.000 0.449 352 I N 0.765 121.328 120.570 -0.012 0.000 2.163 352 I HA -0.276 3.893 4.170 -0.001 0.000 0.240 352 I C 2.452 178.549 176.117 -0.033 0.000 1.081 352 I CA 0.853 62.149 61.300 -0.005 0.000 1.353 352 I CB -0.216 37.809 38.000 0.042 0.000 1.054 352 I HN 0.187 nan 8.210 nan 0.000 0.407 353 L N 0.513 121.718 121.223 -0.030 0.000 2.083 353 L HA -0.187 4.153 4.340 -0.001 0.000 0.209 353 L C 2.745 179.594 176.870 -0.035 0.000 1.083 353 L CA 1.576 56.390 54.840 -0.043 0.000 0.752 353 L CB -0.736 41.314 42.059 -0.015 0.000 0.899 353 L HN 0.377 nan 8.230 nan 0.000 0.433 354 S N -0.856 114.826 115.700 -0.029 0.000 2.474 354 S HA -0.210 4.260 4.470 -0.001 0.000 0.235 354 S C 1.702 176.282 174.600 -0.033 0.000 0.997 354 S CA 0.821 59.004 58.200 -0.029 0.000 0.949 354 S CB -0.229 62.953 63.200 -0.030 0.000 0.766 354 S HN 0.524 nan 8.310 nan 0.000 0.517 355 Q N 0.571 120.349 119.800 -0.037 0.000 2.360 355 Q HA 0.272 4.612 4.340 -0.001 0.000 0.202 355 Q C -0.428 175.546 176.000 -0.044 0.000 0.915 355 Q CA 0.035 55.816 55.803 -0.038 0.000 0.943 355 Q CB 0.322 29.038 28.738 -0.037 0.000 1.064 355 Q HN 0.492 nan 8.270 nan 0.000 0.511 356 D N -0.534 119.836 120.400 -0.050 0.000 2.278 356 D HA 0.138 4.777 4.640 -0.001 0.000 0.245 356 D C 0.566 176.834 176.300 -0.053 0.000 1.052 356 D CA 0.073 54.038 54.000 -0.059 0.000 0.834 356 D CB 1.562 42.315 40.800 -0.080 0.000 1.194 356 D HN 0.138 nan 8.370 nan 0.000 0.481 357 Q N 3.634 123.402 119.800 -0.054 0.000 2.369 357 Q HA -0.059 4.281 4.340 -0.001 0.000 0.206 357 Q C 1.057 177.019 176.000 -0.063 0.000 0.963 357 Q CA 0.878 56.650 55.803 -0.053 0.000 0.894 357 Q CB -0.304 28.403 28.738 -0.052 0.000 0.965 357 Q HN 0.477 nan 8.270 nan 0.000 0.475 358 R N 2.009 122.466 120.500 -0.072 0.000 2.615 358 R HA 0.350 4.690 4.340 -0.001 0.000 0.270 358 R C -0.431 175.846 176.300 -0.038 0.000 1.081 358 R CA -0.231 55.821 56.100 -0.081 0.000 1.154 358 R CB 0.439 30.693 30.300 -0.077 0.000 1.063 358 R HN 0.662 nan 8.270 nan 0.000 0.519 359 D N -0.119 120.278 120.400 -0.006 0.000 2.360 359 D HA -0.050 4.590 4.640 -0.001 0.000 0.242 359 D C 0.745 177.090 176.300 0.075 0.000 1.184 359 D CA -0.421 53.606 54.000 0.045 0.000 0.930 359 D CB 0.708 41.553 40.800 0.075 0.000 1.161 359 D HN 0.453 nan 8.370 nan 0.000 0.447 360 S N -0.165 115.582 115.700 0.078 0.000 2.400 360 S HA -0.294 4.175 4.470 -0.001 0.000 0.232 360 S C 1.621 176.340 174.600 0.199 0.000 1.025 360 S CA 1.247 59.523 58.200 0.126 0.000 0.993 360 S CB -0.524 62.774 63.200 0.162 0.000 0.808 360 S HN 0.613 nan 8.310 nan 0.000 0.478 361 E N 1.692 121.976 120.200 0.140 0.000 2.058 361 E HA -0.208 4.142 4.350 -0.001 0.000 0.194 361 E C 1.760 178.374 176.600 0.023 0.000 0.997 361 E CA 1.851 58.298 56.400 0.078 0.000 0.801 361 E CB -0.638 29.068 29.700 0.010 0.000 0.746 361 E HN 0.791 nan 8.360 nan 0.000 0.450 362 H N -1.108 117.969 119.070 0.012 0.000 2.395 362 H HA 0.039 4.595 4.556 -0.001 0.000 0.299 362 H C 2.041 177.313 175.328 -0.093 0.000 1.070 362 H CA 1.266 57.294 56.048 -0.032 0.000 1.356 362 H CB 0.004 29.737 29.762 -0.047 0.000 1.401 362 H HN 0.015 nan 8.280 nan 0.000 0.524 363 V N 0.164 120.068 119.914 -0.016 0.000 2.255 363 V HA -0.277 3.843 4.120 -0.001 0.000 0.247 363 V C 1.790 177.705 176.094 -0.299 0.000 1.051 363 V CA 1.880 64.043 62.300 -0.229 0.000 1.018 363 V CB -0.528 31.099 31.823 -0.327 0.000 0.641 363 V HN 0.328 nan 8.190 nan 0.000 0.445 364 F N 0.914 120.865 119.950 0.003 0.000 2.293 364 F HA -0.084 4.442 4.527 -0.001 0.000 0.297 364 F C 2.690 178.526 175.800 0.061 0.000 1.089 364 F CA 1.305 59.365 58.000 0.101 0.000 1.377 364 F CB -0.736 38.300 39.000 0.059 0.000 1.051 364 F HN 0.251 nan 8.300 nan 0.000 0.511 365 S N -0.096 115.676 115.700 0.120 0.000 2.515 365 S HA -0.008 4.461 4.470 -0.001 0.000 0.231 365 S C 2.095 176.686 174.600 -0.015 0.000 0.987 365 S CA 0.561 58.782 58.200 0.034 0.000 0.936 365 S CB -0.648 62.506 63.200 -0.077 0.000 0.766 365 S HN 0.215 nan 8.310 nan 0.000 0.528 366 A N 0.945 123.693 122.820 -0.120 0.000 1.969 366 A HA 0.271 4.591 4.320 -0.001 0.000 0.218 366 A C 0.597 178.066 177.584 -0.193 0.000 1.169 366 A CA 0.321 52.231 52.037 -0.212 0.000 0.635 366 A CB -0.695 18.083 19.000 -0.370 0.000 0.810 366 A HN 0.491 nan 8.150 nan 0.000 0.445 367 F N 0.475 120.449 119.950 0.039 0.000 2.450 367 F HA 0.372 4.898 4.527 -0.001 0.000 0.339 367 F C -1.829 173.994 175.800 0.037 0.000 1.146 367 F CA -2.386 55.641 58.000 0.045 0.000 1.267 367 F CB -0.134 38.906 39.000 0.067 0.000 1.178 367 F HN -0.007 nan 8.300 nan 0.000 0.585 368 P HA 0.225 nan 4.420 nan 0.000 0.272 368 P C -1.333 176.040 177.300 0.122 0.000 1.223 368 P CA -0.406 62.774 63.100 0.132 0.000 0.784 368 P CB 0.809 32.568 31.700 0.098 0.000 0.923 369 S N 0.983 116.735 115.700 0.088 0.000 2.557 369 S HA 0.445 4.915 4.470 -0.001 0.000 0.291 369 S C -0.816 173.819 174.600 0.059 0.000 1.116 369 S CA -0.726 57.521 58.200 0.077 0.000 0.992 369 S CB 1.317 64.559 63.200 0.070 0.000 1.028 369 S HN 0.317 nan 8.310 nan 0.000 0.484 370 D N 1.065 121.502 120.400 0.060 0.000 2.387 370 D HA 0.554 5.193 4.640 -0.001 0.000 0.255 370 D C 0.311 176.622 176.300 0.019 0.000 1.081 370 D CA -0.370 53.657 54.000 0.045 0.000 0.994 370 D CB 0.856 41.697 40.800 0.068 0.000 1.127 370 D HN 0.593 nan 8.370 nan 0.000 0.513 371 I N -0.091 120.476 120.570 -0.004 0.000 2.436 371 I HA 0.520 4.690 4.170 -0.001 0.000 0.289 371 I C 0.867 176.949 176.117 -0.059 0.000 1.083 371 I CA -0.435 60.850 61.300 -0.026 0.000 1.372 371 I CB -0.576 37.406 38.000 -0.031 0.000 1.408 371 I HN 0.495 nan 8.210 nan 0.000 0.516 372 S N 3.398 119.060 115.700 -0.063 0.000 2.509 372 S HA 0.740 5.210 4.470 -0.001 0.000 0.297 372 S C 0.334 174.869 174.600 -0.109 0.000 1.118 372 S CA -0.328 57.805 58.200 -0.111 0.000 1.074 372 S CB 0.918 64.061 63.200 -0.096 0.000 1.038 372 S HN 1.139 nan 8.310 nan 0.000 0.498 373 T N 3.826 118.298 114.554 -0.136 0.000 2.909 373 T HA 0.634 4.983 4.350 -0.001 0.000 0.286 373 T C -2.488 172.140 174.700 -0.119 0.000 1.002 373 T CA -1.477 60.560 62.100 -0.104 0.000 1.074 373 T CB 0.409 69.231 68.868 -0.076 0.000 0.984 373 T HN 0.491 nan 8.240 nan 0.000 0.495 374 P HA 0.126 nan 4.420 nan 0.000 0.268 374 P C -0.207 177.031 177.300 -0.104 0.000 1.205 374 P CA -0.289 62.749 63.100 -0.103 0.000 0.771 374 P CB 0.302 31.965 31.700 -0.061 0.000 0.858 375 E N 2.124 122.248 120.200 -0.127 0.000 2.568 375 E HA -0.009 4.341 4.350 -0.001 0.000 0.262 375 E C -0.654 175.909 176.600 -0.062 0.000 0.961 375 E CA 0.143 56.475 56.400 -0.113 0.000 0.945 375 E CB 0.064 29.704 29.700 -0.100 0.000 0.924 375 E HN 0.318 nan 8.360 nan 0.000 0.467 376 I N 4.117 124.653 120.570 -0.056 0.000 2.404 376 I HA 0.282 4.452 4.170 -0.001 0.000 0.293 376 I C -0.526 175.610 176.117 0.031 0.000 0.992 376 I CA -1.012 60.295 61.300 0.013 0.000 1.149 376 I CB 1.707 39.735 38.000 0.046 0.000 1.315 376 I HN 0.462 nan 8.210 nan 0.000 0.446 377 N N 6.782 125.514 118.700 0.055 0.000 2.314 377 N HA 0.596 5.336 4.740 -0.001 0.000 0.294 377 N C -1.023 174.534 175.510 0.078 0.000 1.029 377 N CA -0.386 52.697 53.050 0.054 0.000 0.845 377 N CB 2.448 40.955 38.487 0.034 0.000 1.321 377 N HN 0.425 nan 8.380 nan 0.000 0.481 378 I N 1.329 121.948 120.570 0.082 0.000 2.382 378 I HA 0.223 4.393 4.170 -0.001 0.000 0.286 378 I C -0.108 176.038 176.117 0.048 0.000 1.002 378 I CA -0.595 60.754 61.300 0.081 0.000 1.135 378 I CB 1.520 39.590 38.000 0.116 0.000 1.288 378 I HN 0.232 nan 8.210 nan 0.000 0.448 379 T N 6.384 120.959 114.554 0.035 0.000 2.752 379 T HA 0.310 4.659 4.350 -0.001 0.000 0.295 379 T C 0.638 175.346 174.700 0.014 0.000 0.923 379 T CA -0.449 61.662 62.100 0.019 0.000 1.112 379 T CB 0.854 69.732 68.868 0.016 0.000 0.884 379 T HN 0.473 nan 8.240 nan 0.000 0.525 380 V N 1.375 121.290 119.914 0.002 0.000 6.154 380 V HA 0.847 4.967 4.120 -0.001 0.000 0.274 380 V C 0.447 176.533 176.094 -0.013 0.000 1.592 380 V CA -0.628 61.670 62.300 -0.003 0.000 0.638 380 V CB 0.780 32.600 31.823 -0.005 0.000 1.458 380 V HN 0.816 nan 8.190 nan 0.000 0.391 381 T N -3.413 111.127 114.554 -0.023 0.000 2.930 381 T HA 0.534 4.883 4.350 -0.001 0.000 0.290 381 T C 0.491 175.160 174.700 -0.052 0.000 1.052 381 T CA 0.290 62.375 62.100 -0.025 0.000 1.017 381 T CB 2.070 70.932 68.868 -0.011 0.000 1.137 381 T HN 0.750 nan 8.240 nan 0.000 0.511 382 E N 0.891 121.065 120.200 -0.044 0.000 2.110 382 E HA -0.059 4.291 4.350 -0.001 0.000 0.193 382 E C 2.191 178.761 176.600 -0.049 0.000 0.988 382 E CA 2.384 58.747 56.400 -0.063 0.000 0.804 382 E CB -0.857 28.830 29.700 -0.022 0.000 0.745 382 E HN 0.891 nan 8.360 nan 0.000 0.458 383 D N -0.821 119.571 120.400 -0.013 0.000 2.219 383 D HA -0.104 4.535 4.640 -0.001 0.000 0.205 383 D C 1.955 178.264 176.300 0.015 0.000 0.970 383 D CA 1.678 55.686 54.000 0.014 0.000 0.851 383 D CB -0.557 40.254 40.800 0.018 0.000 0.943 383 D HN 0.358 nan 8.370 nan 0.000 0.488 384 S N -0.358 115.334 115.700 -0.013 0.000 2.497 384 S HA -0.023 4.446 4.470 -0.001 0.000 0.218 384 S C 1.992 176.578 174.600 -0.024 0.000 1.023 384 S CA 0.898 59.097 58.200 -0.001 0.000 0.913 384 S CB 0.204 63.404 63.200 0.001 0.000 0.800 384 S HN 0.693 nan 8.310 nan 0.000 0.505 385 K N 0.833 121.161 120.400 -0.120 0.000 2.044 385 K HA -0.125 4.195 4.320 -0.001 0.000 0.210 385 K C 1.442 177.955 176.600 -0.145 0.000 1.049 385 K CA 1.699 57.867 56.287 -0.198 0.000 0.927 385 K CB -0.781 31.496 32.500 -0.371 0.000 0.713 385 K HN 0.336 nan 8.250 nan 0.000 0.443 386 F N 1.665 121.636 119.950 0.035 0.000 2.206 386 F HA 0.103 4.629 4.527 -0.001 0.000 0.298 386 F C 2.803 178.623 175.800 0.034 0.000 1.090 386 F CA 0.679 58.698 58.000 0.032 0.000 1.323 386 F CB -0.838 38.175 39.000 0.023 0.000 1.028 386 F HN 0.179 nan 8.300 nan 0.000 0.492 387 A N 0.489 123.424 122.820 0.193 0.000 1.933 387 A HA -0.143 4.177 4.320 -0.001 0.000 0.218 387 A C 2.282 179.925 177.584 0.098 0.000 1.175 387 A CA 1.572 53.682 52.037 0.122 0.000 0.628 387 A CB -1.110 17.942 19.000 0.087 0.000 0.814 387 A HN 0.372 nan 8.150 nan 0.000 0.444 388 I N -0.027 120.595 120.570 0.085 0.000 2.179 388 I HA -0.249 3.921 4.170 -0.001 0.000 0.242 388 I C 2.163 178.345 176.117 0.109 0.000 1.088 388 I CA 0.963 62.312 61.300 0.082 0.000 1.357 388 I CB -0.327 37.715 38.000 0.070 0.000 1.051 388 I HN 0.241 nan 8.210 nan 0.000 0.409 389 I N 0.822 121.470 120.570 0.130 0.000 2.226 389 I HA -0.255 3.914 4.170 -0.001 0.000 0.245 389 I C 2.456 178.650 176.117 0.129 0.000 1.100 389 I CA 1.709 63.096 61.300 0.146 0.000 1.374 389 I CB -1.321 36.779 38.000 0.166 0.000 1.057 389 I HN 0.330 nan 8.210 nan 0.000 0.413 390 E N 0.896 121.167 120.200 0.119 0.000 2.110 390 E HA -0.179 4.171 4.350 -0.001 0.000 0.193 390 E C 2.332 178.979 176.600 0.078 0.000 0.988 390 E CA 1.400 57.854 56.400 0.090 0.000 0.804 390 E CB -0.135 29.613 29.700 0.080 0.000 0.745 390 E HN 0.507 nan 8.360 nan 0.000 0.458 391 A N 0.909 123.776 122.820 0.077 0.000 1.898 391 A HA -0.136 4.183 4.320 -0.001 0.000 0.216 391 A C 2.157 179.780 177.584 0.065 0.000 1.181 391 A CA 0.932 53.004 52.037 0.059 0.000 0.620 391 A CB -0.535 18.494 19.000 0.049 0.000 0.819 391 A HN 0.125 nan 8.150 nan 0.000 0.442 392 L N -0.834 120.448 121.223 0.100 0.000 2.017 392 L HA -0.267 4.072 4.340 -0.001 0.000 0.208 392 L C 2.889 179.865 176.870 0.177 0.000 1.073 392 L CA 1.700 56.625 54.840 0.141 0.000 0.745 392 L CB -0.640 41.562 42.059 0.238 0.000 0.894 392 L HN 0.467 nan 8.230 nan 0.000 0.432 393 Q N -0.564 119.330 119.800 0.157 0.000 2.181 393 Q HA -0.208 4.132 4.340 -0.001 0.000 0.205 393 Q C 2.359 178.421 176.000 0.103 0.000 0.980 393 Q CA 1.387 57.273 55.803 0.138 0.000 0.862 393 Q CB -0.063 28.730 28.738 0.092 0.000 0.905 393 Q HN 0.440 nan 8.270 nan 0.000 0.429 394 R N 0.043 120.587 120.500 0.073 0.000 2.055 394 R HA -0.060 4.279 4.340 -0.001 0.000 0.226 394 R C 1.213 177.531 176.300 0.031 0.000 1.135 394 R CA 1.326 57.454 56.100 0.046 0.000 0.959 394 R CB 0.187 30.507 30.300 0.033 0.000 0.854 394 R HN 0.280 nan 8.270 nan 0.000 0.431 395 D N -0.105 120.303 120.400 0.014 0.000 2.388 395 D HA 0.110 4.749 4.640 -0.001 0.000 0.208 395 D C 0.255 176.503 176.300 -0.086 0.000 1.035 395 D CA 0.125 54.109 54.000 -0.027 0.000 0.875 395 D CB 0.265 41.045 40.800 -0.033 0.000 0.984 395 D HN 0.093 nan 8.370 nan 0.000 0.508 396 A N 0.641 123.394 122.820 -0.111 0.000 2.445 396 A HA 0.479 4.799 4.320 -0.001 0.000 0.242 396 A C 0.444 177.765 177.584 -0.438 0.000 1.075 396 A CA 0.140 51.951 52.037 -0.376 0.000 0.777 396 A CB 0.016 18.708 19.000 -0.514 0.000 1.013 396 A HN 0.165 nan 8.150 nan 0.000 0.493 397 Q N 0.452 119.890 119.800 -0.604 0.000 2.331 397 Q HA 0.526 4.866 4.340 -0.001 0.000 0.267 397 Q C -0.537 175.171 176.000 -0.488 0.000 1.006 397 Q CA -0.459 55.121 55.803 -0.372 0.000 0.818 397 Q CB 0.664 29.290 28.738 -0.186 0.000 1.276 397 Q HN 0.952 nan 8.270 nan 0.000 0.450 398 W N 1.485 122.804 121.300 0.032 0.000 2.684 398 W HA 0.493 5.152 4.660 -0.001 0.000 0.381 398 W C 1.165 177.801 176.519 0.196 0.000 0.975 398 W CA 0.177 57.580 57.345 0.096 0.000 1.789 398 W CB 0.653 30.141 29.460 0.045 0.000 1.161 398 W HN 1.444 nan 8.180 nan 0.000 0.564 399 G N 1.649 110.618 108.800 0.282 0.000 2.749 399 G HA2 -0.150 3.809 3.960 -0.001 0.000 0.242 399 G HA3 -0.150 3.809 3.960 -0.001 0.000 0.242 399 G C 0.133 175.191 174.900 0.263 0.000 1.364 399 G CA -0.311 44.936 45.100 0.244 0.000 0.888 399 G HN 0.441 nan 8.290 nan 0.000 0.566 400 E N 0.347 120.679 120.200 0.219 0.000 2.175 400 E HA 0.448 4.797 4.350 -0.001 0.000 0.247 400 E C 1.444 178.158 176.600 0.191 0.000 1.259 400 E CA 1.028 57.533 56.400 0.175 0.000 0.969 400 E CB -0.307 29.480 29.700 0.146 0.000 1.051 400 E HN 2.094 nan 8.360 nan 0.000 0.448 401 G N 1.438 110.285 108.800 0.078 0.000 2.781 401 G HA2 0.078 4.037 3.960 -0.001 0.000 0.208 401 G HA3 0.078 4.037 3.960 -0.001 0.000 0.208 401 G C 0.694 175.437 174.900 -0.261 0.000 1.099 401 G CA 0.320 45.314 45.100 -0.177 0.000 0.776 401 G HN 0.796 nan 8.290 nan 0.000 0.532 402 N N 0.273 118.908 118.700 -0.108 0.000 2.556 402 N HA -0.171 4.569 4.740 -0.001 0.000 0.288 402 N C -0.328 175.089 175.510 -0.155 0.000 1.226 402 N CA 0.275 53.264 53.050 -0.102 0.000 0.719 402 N CB -1.233 37.203 38.487 -0.087 0.000 0.923 402 N HN 0.361 nan 8.380 nan 0.000 0.544 403 I N 1.663 122.156 120.570 -0.128 0.000 2.395 403 I HA 0.167 4.337 4.170 -0.001 0.000 0.289 403 I C 0.780 176.823 176.117 -0.124 0.000 1.023 403 I CA -0.115 61.081 61.300 -0.174 0.000 1.350 403 I CB 1.326 39.251 38.000 -0.125 0.000 1.409 403 I HN 0.196 nan 8.210 nan 0.000 0.507 404 T N 3.365 117.831 114.554 -0.146 0.000 2.812 404 T HA 0.352 4.702 4.350 -0.001 0.000 0.282 404 T C 0.468 175.102 174.700 -0.110 0.000 0.990 404 T CA -0.556 61.478 62.100 -0.110 0.000 0.960 404 T CB 1.251 70.052 68.868 -0.112 0.000 0.948 404 T HN 0.748 nan 8.240 nan 0.000 0.438 405 T N 0.850 115.352 114.554 -0.087 0.000 3.339 405 T HA 0.289 4.639 4.350 -0.001 0.000 0.292 405 T C 1.550 176.189 174.700 -0.101 0.000 1.012 405 T CA -0.346 61.710 62.100 -0.074 0.000 0.937 405 T CB -0.434 68.412 68.868 -0.037 0.000 1.164 405 T HN 0.388 nan 8.240 nan 0.000 0.509 406 L N 0.521 121.652 121.223 -0.153 0.000 2.131 406 L HA 0.165 4.505 4.340 -0.001 0.000 0.210 406 L C 0.800 177.512 176.870 -0.263 0.000 1.092 406 L CA 1.149 55.831 54.840 -0.264 0.000 0.759 406 L CB -0.017 41.806 42.059 -0.393 0.000 0.903 406 L HN 0.348 nan 8.230 nan 0.000 0.435 407 D N -0.695 119.596 120.400 -0.181 0.000 2.337 407 D HA 0.379 5.019 4.640 -0.001 0.000 0.238 407 D C 0.179 176.451 176.300 -0.047 0.000 1.331 407 D CA 0.776 54.701 54.000 -0.124 0.000 0.967 407 D CB 0.476 41.175 40.800 -0.167 0.000 1.382 407 D HN 0.224 nan 8.370 nan 0.000 0.549 408 G N 1.198 109.997 108.800 -0.001 0.000 2.528 408 G HA2 -0.177 3.782 3.960 -0.001 0.000 0.262 408 G HA3 -0.177 3.782 3.960 -0.001 0.000 0.262 408 G C -0.879 174.028 174.900 0.012 0.000 1.200 408 G CA 0.010 45.133 45.100 0.040 0.000 0.951 408 G HN 0.883 nan 8.290 nan 0.000 0.566 409 V N 1.135 121.063 119.914 0.022 0.000 2.409 409 V HA 0.667 4.787 4.120 -0.001 0.000 0.290 409 V C 0.385 176.437 176.094 -0.070 0.000 1.017 409 V CA -0.137 62.127 62.300 -0.059 0.000 0.841 409 V CB 1.418 33.200 31.823 -0.068 0.000 1.003 409 V HN 0.930 nan 8.190 nan 0.000 0.426 410 R N 3.758 124.192 120.500 -0.111 0.000 2.532 410 R HA 0.840 5.179 4.340 -0.001 0.000 0.295 410 R C -1.708 174.491 176.300 -0.168 0.000 0.968 410 R CA -0.405 55.661 56.100 -0.057 0.000 0.916 410 R CB 1.995 32.261 30.300 -0.057 0.000 1.124 410 R HN 0.489 nan 8.270 nan 0.000 0.463 411 V N 3.978 123.842 119.914 -0.083 0.000 2.525 411 V HA 0.278 4.397 4.120 -0.001 0.000 0.299 411 V C -0.896 175.095 176.094 -0.172 0.000 1.034 411 V CA -0.840 61.303 62.300 -0.260 0.000 0.863 411 V CB 1.823 33.390 31.823 -0.427 0.000 0.999 411 V HN 0.836 nan 8.190 nan 0.000 0.423 412 D N 3.804 124.062 120.400 -0.237 0.000 2.329 412 D HA 0.437 5.077 4.640 -0.001 0.000 0.232 412 D C -0.987 175.182 176.300 -0.219 0.000 1.088 412 D CA -0.027 53.913 54.000 -0.100 0.000 0.835 412 D CB 1.934 42.696 40.800 -0.065 0.000 1.078 412 D HN 0.392 nan 8.370 nan 0.000 0.495 413 Y N 1.387 121.788 120.300 0.170 0.000 2.545 413 Y HA 0.229 4.778 4.550 -0.001 0.000 0.324 413 Y C -1.095 174.873 175.900 0.114 0.000 1.220 413 Y CA -1.991 56.193 58.100 0.139 0.000 1.290 413 Y CB 0.047 38.599 38.460 0.154 0.000 1.355 413 Y HN 0.244 nan 8.280 nan 0.000 0.516 414 P HA -0.117 nan 4.420 nan 0.000 0.216 414 P C 0.761 178.151 177.300 0.151 0.000 1.150 414 P CA 2.383 65.581 63.100 0.163 0.000 0.837 414 P CB 0.183 31.963 31.700 0.133 0.000 0.786 415 K N -0.729 119.774 120.400 0.172 0.000 2.438 415 K HA 0.581 4.900 4.320 -0.001 0.000 0.205 415 K C 0.651 177.346 176.600 0.158 0.000 1.033 415 K CA 0.483 56.850 56.287 0.132 0.000 1.089 415 K CB 0.366 32.918 32.500 0.086 0.000 0.857 415 K HN 0.374 nan 8.250 nan 0.000 0.522 416 G N -0.283 108.664 108.800 0.246 0.000 2.342 416 G HA2 0.552 4.512 3.960 -0.001 0.000 0.297 416 G HA3 0.552 4.512 3.960 -0.001 0.000 0.297 416 G C -1.817 173.350 174.900 0.444 0.000 1.313 416 G CA -0.026 45.235 45.100 0.268 0.000 0.830 416 G HN 0.722 nan 8.290 nan 0.000 0.506 417 W N -0.807 120.585 121.300 0.155 0.000 3.059 417 W HA 0.752 5.412 4.660 -0.001 0.000 0.329 417 W C -0.667 175.863 176.519 0.018 0.000 1.246 417 W CA -1.056 56.355 57.345 0.110 0.000 1.190 417 W CB 1.205 30.659 29.460 -0.009 0.000 1.423 417 W HN 1.539 nan 8.180 nan 0.000 0.571 418 G N 1.154 109.981 108.800 0.046 0.000 2.612 418 G HA2 0.681 4.640 3.960 -0.001 0.000 0.298 418 G HA3 0.681 4.640 3.960 -0.001 0.000 0.298 418 G C -2.640 172.019 174.900 -0.403 0.000 1.336 418 G CA -0.952 43.719 45.100 -0.715 0.000 0.953 418 G HN 0.739 nan 8.290 nan 0.000 0.482 419 L N 1.458 122.279 121.223 -0.671 0.000 2.431 419 L HA 0.865 5.204 4.340 -0.001 0.000 0.266 419 L C -1.308 175.440 176.870 -0.203 0.000 0.978 419 L CA -0.989 53.753 54.840 -0.163 0.000 0.822 419 L CB 2.276 44.374 42.059 0.065 0.000 1.310 419 L HN 0.628 nan 8.230 nan 0.000 0.409 420 V N 5.951 125.925 119.914 0.100 0.000 2.638 420 V HA 0.858 4.978 4.120 -0.001 0.000 0.306 420 V C -1.038 175.121 176.094 0.107 0.000 1.052 420 V CA -0.248 62.130 62.300 0.130 0.000 0.885 420 V CB 1.787 33.804 31.823 0.323 0.000 0.999 420 V HN 1.050 nan 8.190 nan 0.000 0.424 421 R N 5.244 125.790 120.500 0.077 0.000 2.764 421 R HA 0.919 5.258 4.340 -0.001 0.000 0.270 421 R C -1.024 175.323 176.300 0.078 0.000 1.014 421 R CA -0.549 55.600 56.100 0.081 0.000 0.904 421 R CB 1.982 32.316 30.300 0.058 0.000 1.236 421 R HN 0.877 nan 8.270 nan 0.000 0.466 422 A N 1.203 124.082 122.820 0.100 0.000 2.301 422 A HA 0.394 4.713 4.320 -0.001 0.000 0.298 422 A C 0.037 177.654 177.584 0.055 0.000 1.185 422 A CA -0.459 51.597 52.037 0.030 0.000 0.830 422 A CB 1.112 20.091 19.000 -0.034 0.000 1.112 422 A HN 0.703 nan 8.150 nan 0.000 0.508 423 S N 2.080 117.780 115.700 0.000 0.000 2.533 423 S HA 0.010 4.480 4.470 -0.001 0.000 0.282 423 S C 1.040 175.670 174.600 0.050 0.000 1.304 423 S CA -0.480 57.742 58.200 0.036 0.000 1.063 423 S CB 0.015 63.225 63.200 0.016 0.000 0.881 423 S HN 0.689 nan 8.310 nan 0.000 0.493 424 N N 3.057 121.837 118.700 0.133 0.000 2.188 424 N HA -0.093 4.647 4.740 -0.001 0.000 0.184 424 N C 1.766 177.340 175.510 0.107 0.000 1.018 424 N CA 1.963 55.119 53.050 0.177 0.000 0.858 424 N CB -0.582 37.984 38.487 0.132 0.000 0.989 424 N HN 0.885 nan 8.380 nan 0.000 0.426 425 T N -3.016 111.581 114.554 0.073 0.000 3.037 425 T HA 0.088 4.437 4.350 -0.001 0.000 0.251 425 T C 0.971 175.694 174.700 0.039 0.000 1.079 425 T CA 0.117 62.252 62.100 0.060 0.000 1.067 425 T CB -0.004 68.906 68.868 0.070 0.000 0.948 425 T HN 0.215 nan 8.240 nan 0.000 0.496 426 T N -0.110 114.455 114.554 0.018 0.000 2.916 426 T HA 0.580 4.930 4.350 -0.001 0.000 0.292 426 T C -3.209 171.469 174.700 -0.038 0.000 1.055 426 T CA -2.176 59.927 62.100 0.004 0.000 1.009 426 T CB 2.187 71.065 68.868 0.018 0.000 1.118 426 T HN -0.181 nan 8.240 nan 0.000 0.497 427 P HA 0.396 nan 4.420 nan 0.000 0.230 427 P C -0.923 176.347 177.300 -0.050 0.000 1.791 427 P CA -0.261 62.800 63.100 -0.065 0.000 1.020 427 P CB -0.262 31.416 31.700 -0.038 0.000 1.977 428 V N 2.701 122.581 119.914 -0.057 0.000 2.808 428 V HA 0.313 4.433 4.120 -0.001 0.000 0.308 428 V C 0.088 176.171 176.094 -0.018 0.000 1.099 428 V CA -0.838 61.451 62.300 -0.019 0.000 0.920 428 V CB 2.844 34.668 31.823 0.002 0.000 1.014 428 V HN 0.142 nan 8.190 nan 0.000 0.425 429 L N 4.226 125.459 121.223 0.017 0.000 2.292 429 L HA 0.636 4.975 4.340 -0.001 0.000 0.284 429 L C -0.615 176.288 176.870 0.054 0.000 1.065 429 L CA -0.688 54.179 54.840 0.046 0.000 0.806 429 L CB 1.646 43.758 42.059 0.087 0.000 1.175 429 L HN 0.345 nan 8.230 nan 0.000 0.431 430 V N 5.011 124.949 119.914 0.040 0.000 2.417 430 V HA 0.497 4.617 4.120 -0.001 0.000 0.291 430 V C -0.152 175.923 176.094 -0.032 0.000 1.024 430 V CA -0.466 61.841 62.300 0.011 0.000 0.861 430 V CB 1.852 33.681 31.823 0.010 0.000 0.985 430 V HN 0.463 nan 8.190 nan 0.000 0.436 431 L N 5.692 126.856 121.223 -0.099 0.000 2.370 431 L HA 0.748 5.088 4.340 -0.001 0.000 0.266 431 L C -0.111 176.487 176.870 -0.454 0.000 1.002 431 L CA -0.470 54.184 54.840 -0.310 0.000 0.818 431 L CB 2.194 44.062 42.059 -0.318 0.000 1.325 431 L HN 0.526 nan 8.230 nan 0.000 0.418 432 R N 1.728 121.777 120.500 -0.752 0.000 2.725 432 R HA 0.764 5.103 4.340 -0.001 0.000 0.277 432 R C -1.761 173.683 176.300 -1.428 0.000 0.987 432 R CA -0.741 54.891 56.100 -0.780 0.000 0.901 432 R CB 2.349 32.404 30.300 -0.410 0.000 1.207 432 R HN 0.298 nan 8.270 nan 0.000 0.463 433 F N 0.369 119.845 119.950 -0.791 0.000 2.578 433 F HA 0.413 4.940 4.527 -0.001 0.000 0.311 433 F C -0.116 175.184 175.800 -0.834 0.000 1.094 433 F CA -0.705 56.764 58.000 -0.885 0.000 0.923 433 F CB 2.502 41.120 39.000 -0.638 0.000 1.230 433 F HN 0.450 nan 8.300 nan 0.000 0.450 434 E N 1.852 121.585 120.200 -0.778 0.000 2.321 434 E HA 0.836 5.185 4.350 -0.001 0.000 0.278 434 E C -1.944 174.501 176.600 -0.260 0.000 0.902 434 E CA -0.743 55.367 56.400 -0.484 0.000 0.758 434 E CB 2.286 31.691 29.700 -0.492 0.000 1.213 434 E HN 0.835 nan 8.360 nan 0.000 0.426 435 A N 2.619 125.379 122.820 -0.101 0.000 2.594 435 A HA 0.391 4.711 4.320 -0.001 0.000 0.291 435 A C -0.139 177.451 177.584 0.009 0.000 1.105 435 A CA -0.212 51.816 52.037 -0.015 0.000 0.694 435 A CB 1.356 20.343 19.000 -0.023 0.000 1.291 435 A HN 0.808 nan 8.150 nan 0.000 0.410 436 D N 0.013 120.432 120.400 0.033 0.000 2.194 436 D HA 0.185 4.825 4.640 -0.001 0.000 0.204 436 D C 0.835 177.143 176.300 0.013 0.000 0.964 436 D CA 1.859 55.878 54.000 0.030 0.000 0.846 436 D CB -0.454 40.372 40.800 0.043 0.000 0.962 436 D HN 0.913 nan 8.370 nan 0.000 0.490 437 T N -1.579 112.978 114.554 0.006 0.000 2.925 437 T HA 0.577 4.926 4.350 -0.001 0.000 0.285 437 T C 1.006 175.695 174.700 -0.019 0.000 1.021 437 T CA 0.035 62.132 62.100 -0.004 0.000 1.042 437 T CB 1.058 69.924 68.868 -0.003 0.000 1.037 437 T HN 0.069 nan 8.240 nan 0.000 0.481 438 E N 0.448 120.636 120.200 -0.021 0.000 2.208 438 E HA 0.158 4.508 4.350 -0.001 0.000 0.193 438 E C 2.127 178.705 176.600 -0.037 0.000 0.988 438 E CA 1.728 58.108 56.400 -0.032 0.000 0.828 438 E CB -1.357 28.327 29.700 -0.027 0.000 0.763 438 E HN 0.961 nan 8.360 nan 0.000 0.478 439 E N 1.215 121.398 120.200 -0.029 0.000 2.051 439 E HA -0.214 4.135 4.350 -0.001 0.000 0.192 439 E C 2.043 178.619 176.600 -0.040 0.000 0.991 439 E CA 1.271 57.653 56.400 -0.031 0.000 0.799 439 E CB -0.534 29.153 29.700 -0.022 0.000 0.748 439 E HN 0.527 nan 8.360 nan 0.000 0.449 440 E N -0.247 119.932 120.200 -0.034 0.000 2.085 440 E HA -0.132 4.218 4.350 -0.001 0.000 0.194 440 E C 2.232 178.797 176.600 -0.059 0.000 0.994 440 E CA 1.235 57.611 56.400 -0.040 0.000 0.801 440 E CB -0.382 29.310 29.700 -0.014 0.000 0.743 440 E HN 0.425 nan 8.360 nan 0.000 0.453 441 L N 1.701 122.884 121.223 -0.067 0.000 1.970 441 L HA -0.227 4.113 4.340 -0.001 0.000 0.212 441 L C 2.443 179.225 176.870 -0.147 0.000 1.071 441 L CA 3.029 57.804 54.840 -0.110 0.000 0.751 441 L CB -1.079 40.916 42.059 -0.108 0.000 0.889 441 L HN 0.192 nan 8.230 nan 0.000 0.432 442 E N -0.524 119.610 120.200 -0.110 0.000 2.333 442 E HA -0.161 4.189 4.350 -0.001 0.000 0.198 442 E C 2.270 178.824 176.600 -0.077 0.000 1.007 442 E CA 1.712 58.053 56.400 -0.099 0.000 0.845 442 E CB -1.060 28.602 29.700 -0.064 0.000 0.766 442 E HN 0.675 nan 8.360 nan 0.000 0.507 443 R N 0.241 120.698 120.500 -0.072 0.000 2.090 443 R HA 0.345 4.684 4.340 -0.001 0.000 0.219 443 R C 2.469 178.749 176.300 -0.033 0.000 1.100 443 R CA 1.080 57.146 56.100 -0.056 0.000 0.991 443 R CB -0.708 29.547 30.300 -0.075 0.000 0.893 443 R HN 0.534 nan 8.270 nan 0.000 0.443 444 I N 0.927 121.471 120.570 -0.043 0.000 2.202 444 I HA -0.246 3.924 4.170 -0.001 0.000 0.242 444 I C 2.407 178.587 176.117 0.106 0.000 1.091 444 I CA 1.382 62.741 61.300 0.099 0.000 1.368 444 I CB -0.152 37.932 38.000 0.140 0.000 1.058 444 I HN 0.263 nan 8.210 nan 0.000 0.410 445 K N 0.449 120.671 120.400 -0.297 0.000 2.074 445 K HA -0.252 4.068 4.320 -0.001 0.000 0.209 445 K C 2.238 178.881 176.600 0.071 0.000 1.048 445 K CA 2.213 58.200 56.287 -0.500 0.000 0.926 445 K CB -0.869 31.322 32.500 -0.516 0.000 0.713 445 K HN 0.539 nan 8.250 nan 0.000 0.444 446 T N 1.179 115.767 114.554 0.056 0.000 2.708 446 T HA -0.106 4.244 4.350 -0.001 0.000 0.266 446 T C 2.176 176.967 174.700 0.151 0.000 1.037 446 T CA 1.802 63.952 62.100 0.084 0.000 1.146 446 T CB -0.488 68.394 68.868 0.023 0.000 0.865 446 T HN -0.073 nan 8.240 nan 0.000 0.435 447 V N 0.251 120.292 119.914 0.212 0.000 2.255 447 V HA -0.132 3.987 4.120 -0.001 0.000 0.247 447 V C 2.432 178.714 176.094 0.314 0.000 1.051 447 V CA 1.834 64.280 62.300 0.243 0.000 1.018 447 V CB -0.837 31.199 31.823 0.355 0.000 0.641 447 V HN 0.589 nan 8.190 nan 0.000 0.445 448 F N 0.219 120.424 119.950 0.425 0.000 2.126 448 F HA -0.157 4.370 4.527 -0.001 0.000 0.299 448 F C 2.611 178.656 175.800 0.409 0.000 1.096 448 F CA 2.078 60.427 58.000 0.583 0.000 1.255 448 F CB -0.597 38.876 39.000 0.787 0.000 0.997 448 F HN -0.016 nan 8.300 nan 0.000 0.479 449 R N 0.459 121.276 120.500 0.528 0.000 2.096 449 R HA -0.208 4.132 4.340 -0.001 0.000 0.240 449 R C 2.101 178.436 176.300 0.059 0.000 1.139 449 R CA 1.915 58.107 56.100 0.154 0.000 0.952 449 R CB -0.340 29.936 30.300 -0.041 0.000 0.854 449 R HN 0.190 nan 8.270 nan 0.000 0.436 450 N N 0.281 119.009 118.700 0.047 0.000 2.104 450 N HA -0.166 4.574 4.740 -0.001 0.000 0.190 450 N C 1.736 177.199 175.510 -0.078 0.000 1.024 450 N CA 1.250 54.284 53.050 -0.028 0.000 0.853 450 N CB -0.234 38.229 38.487 -0.040 0.000 1.008 450 N HN 0.316 nan 8.380 nan 0.000 0.424 451 Q N 0.443 120.161 119.800 -0.136 0.000 2.123 451 Q HA 0.061 4.400 4.340 -0.001 0.000 0.199 451 Q C 2.393 178.332 176.000 -0.103 0.000 0.966 451 Q CA 0.496 56.139 55.803 -0.266 0.000 0.845 451 Q CB -0.373 27.945 28.738 -0.699 0.000 0.907 451 Q HN 0.419 nan 8.270 nan 0.000 0.439 452 L N 0.634 121.873 121.223 0.026 0.000 2.046 452 L HA -0.170 4.169 4.340 -0.001 0.000 0.208 452 L C 2.356 179.237 176.870 0.019 0.000 1.077 452 L CA 1.051 55.936 54.840 0.075 0.000 0.747 452 L CB -0.304 41.851 42.059 0.160 0.000 0.896 452 L HN 0.072 nan 8.230 nan 0.000 0.432 453 K N 0.014 120.409 120.400 -0.008 0.000 2.148 453 K HA -0.066 4.253 4.320 -0.001 0.000 0.204 453 K C 2.082 178.662 176.600 -0.033 0.000 1.050 453 K CA 1.312 57.583 56.287 -0.026 0.000 0.942 453 K CB -0.276 32.200 32.500 -0.040 0.000 0.724 453 K HN 0.284 nan 8.250 nan 0.000 0.446 454 A N 0.782 123.572 122.820 -0.050 0.000 2.014 454 A HA -0.057 4.262 4.320 -0.001 0.000 0.218 454 A C 2.393 179.952 177.584 -0.041 0.000 1.163 454 A CA 0.952 52.955 52.037 -0.057 0.000 0.652 454 A CB -0.264 18.680 19.000 -0.094 0.000 0.808 454 A HN 0.038 nan 8.150 nan 0.000 0.449 455 V N -0.032 119.865 119.914 -0.027 0.000 2.273 455 V HA -0.033 4.087 4.120 -0.001 0.000 0.242 455 V C 0.625 176.719 176.094 0.000 0.000 1.035 455 V CA 1.868 64.165 62.300 -0.006 0.000 1.013 455 V CB -0.284 31.549 31.823 0.017 0.000 0.652 455 V HN 0.624 nan 8.190 nan 0.000 0.452 456 D N -1.353 119.048 120.400 0.003 0.000 2.575 456 D HA 0.197 4.836 4.640 -0.001 0.000 0.250 456 D C 0.914 177.211 176.300 -0.006 0.000 1.279 456 D CA 0.430 54.431 54.000 0.002 0.000 0.925 456 D CB 1.823 42.629 40.800 0.011 0.000 1.261 456 D HN 0.163 nan 8.370 nan 0.000 0.567 457 S N 1.816 117.508 115.700 -0.012 0.000 2.474 457 S HA -0.086 4.384 4.470 -0.001 0.000 0.235 457 S C 1.716 176.304 174.600 -0.019 0.000 0.997 457 S CA 1.254 59.442 58.200 -0.019 0.000 0.949 457 S CB -0.198 62.990 63.200 -0.020 0.000 0.766 457 S HN 0.434 nan 8.310 nan 0.000 0.517 458 S N 0.348 116.041 115.700 -0.013 0.000 2.556 458 S HA 0.515 4.985 4.470 -0.001 0.000 0.216 458 S C 0.426 175.020 174.600 -0.011 0.000 0.970 458 S CA -0.396 57.797 58.200 -0.012 0.000 0.912 458 S CB -0.208 62.988 63.200 -0.007 0.000 0.790 458 S HN 0.323 nan 8.310 nan 0.000 0.504 459 L N 3.089 124.307 121.223 -0.008 0.000 2.453 459 L HA 0.312 4.652 4.340 -0.001 0.000 0.272 459 L C -2.194 174.665 176.870 -0.018 0.000 1.182 459 L CA -1.924 52.915 54.840 -0.001 0.000 0.858 459 L CB 0.796 42.864 42.059 0.015 0.000 1.120 459 L HN -0.011 nan 8.230 nan 0.000 0.474 460 P HA 0.163 nan 4.420 nan 0.000 0.247 460 P C -0.452 176.821 177.300 -0.045 0.000 1.756 460 P CA -0.188 62.896 63.100 -0.026 0.000 1.117 460 P CB 0.291 31.987 31.700 -0.006 0.000 1.869 461 V N 5.187 125.028 119.914 -0.123 0.000 2.387 461 V HA 0.266 4.385 4.120 -0.001 0.000 0.260 461 V C -1.523 174.352 176.094 -0.365 0.000 1.054 461 V CA -1.586 60.538 62.300 -0.293 0.000 0.967 461 V CB 0.265 31.819 31.823 -0.449 0.000 1.036 461 V HN 0.233 nan 8.190 nan 0.000 0.481 462 P HA 0.481 nan 4.420 nan 0.000 0.206 462 P C -1.008 176.336 177.300 0.073 0.000 1.854 462 P CA -0.127 62.943 63.100 -0.049 0.000 0.969 462 P CB -0.609 31.130 31.700 0.064 0.000 1.843 463 F N 0.000 119.944 119.950 -0.011 0.000 2.286 463 F HA 0.000 4.526 4.527 -0.001 0.000 0.279 463 F CA 0.000 57.965 58.000 -0.058 0.000 1.383 463 F CB 0.000 38.946 39.000 -0.090 0.000 1.145 463 F HN 0.000 nan 8.300 nan 0.000 0.574