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 2wl6_1_D DATA FIRST_RESID 4 DATA SEQUENCE SIVIASAART AVGSFNGAFA NTPAHELGAT VISAVLERAG VAAGEVNEVI DATA SEQUENCE LGQVLPAGEG QNPARQAAMK AGVPQEATAW GMNQLCGSGL RAVALGMQQI DATA SEQUENCE ATGDASIIVA GGMESMSMAP HCAHLRGGVK MGDFKMIDTM IKDGLTDAFY DATA SEQUENCE GYHMGTTAEN VAKQWQLSRD EQDAFAVASQ NKAEAAQKDG RFKDEIVPFI DATA SEQUENCE VKGRKGDITV DADEYIRHGA TLDSMAKLRP AFDKEGTVTA GNASGLNDGA DATA SEQUENCE AAALLMSEAE ASRRGIQPLG RIVSWATVGV DPKVMGTGPI PASRKALERA DATA SEQUENCE GWKIGDLDLV EAHEAFAAQA CAVNKDLGWD PSIVNVNGGA IAIGNPIGAS DATA SEQUENCE GARILNTLLF EMKRRGARKG LATLCIGGGM GVAMCIESL 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 4 S HA 0.000 nan 4.470 nan 0.000 0.327 4 S C 0.000 174.611 174.600 0.018 0.000 1.055 4 S CA 0.000 58.212 58.200 0.020 0.000 1.107 4 S CB 0.000 63.211 63.200 0.019 0.000 0.593 5 I N 4.448 125.030 120.570 0.020 0.000 2.412 5 I HA 0.651 4.820 4.170 -0.001 0.000 0.296 5 I C 0.206 176.332 176.117 0.016 0.000 0.987 5 I CA -0.770 60.539 61.300 0.015 0.000 1.180 5 I CB 1.162 39.170 38.000 0.013 0.000 1.340 5 I HN 0.342 nan 8.210 nan 0.000 0.455 6 V N 3.430 123.351 119.914 0.011 0.000 3.158 6 V HA 0.647 4.766 4.120 -0.001 0.000 0.315 6 V C -0.373 175.721 176.094 -0.000 0.000 1.148 6 V CA -0.918 61.387 62.300 0.008 0.000 1.042 6 V CB 2.687 34.514 31.823 0.006 0.000 1.101 6 V HN 0.501 nan 8.190 nan 0.000 0.448 7 I N 1.912 122.478 120.570 -0.007 0.000 2.371 7 I HA 0.489 4.659 4.170 -0.001 0.000 0.282 7 I C 1.320 177.421 176.117 -0.026 0.000 1.031 7 I CA -0.315 60.976 61.300 -0.015 0.000 1.180 7 I CB 1.432 39.420 38.000 -0.019 0.000 1.336 7 I HN 0.901 nan 8.210 nan 0.000 0.467 8 A N 4.616 127.426 122.820 -0.016 0.000 1.930 8 A HA -0.020 4.299 4.320 -0.001 0.000 0.217 8 A C 1.069 178.640 177.584 -0.022 0.000 1.175 8 A CA 1.483 53.510 52.037 -0.017 0.000 0.627 8 A CB -0.072 18.925 19.000 -0.004 0.000 0.815 8 A HN 0.686 nan 8.150 nan 0.000 0.443 9 S N -3.495 112.202 115.700 -0.006 0.000 2.625 9 S HA 0.807 5.276 4.470 -0.001 0.000 0.271 9 S C -0.642 173.993 174.600 0.060 0.000 1.161 9 S CA -0.084 58.130 58.200 0.023 0.000 0.820 9 S CB 1.333 64.564 63.200 0.052 0.000 1.137 9 S HN 1.634 nan 8.310 nan 0.000 0.470 10 A N 0.155 123.077 122.820 0.170 0.000 2.583 10 A HA 1.065 5.384 4.320 -0.001 0.000 0.289 10 A C -0.843 176.899 177.584 0.262 0.000 1.151 10 A CA -0.591 51.582 52.037 0.226 0.000 0.695 10 A CB 0.870 20.051 19.000 0.302 0.000 1.290 10 A HN 2.444 nan 8.150 nan 0.000 0.419 11 A N 0.099 123.005 122.820 0.144 0.000 2.590 11 A HA 0.752 5.071 4.320 -0.001 0.000 0.296 11 A C -0.847 176.736 177.584 -0.000 0.000 1.050 11 A CA -0.072 51.989 52.037 0.040 0.000 0.697 11 A CB 1.033 20.053 19.000 0.034 0.000 1.277 11 A HN 1.963 nan 8.150 nan 0.000 0.411 12 R N 0.159 120.631 120.500 -0.045 0.000 2.673 12 R HA 0.777 5.117 4.340 -0.001 0.000 0.281 12 R C -0.139 176.136 176.300 -0.041 0.000 0.991 12 R CA 0.125 56.197 56.100 -0.047 0.000 0.896 12 R CB 1.517 31.784 30.300 -0.055 0.000 1.201 12 R HN 1.076 nan 8.270 nan 0.000 0.457 13 T N 0.171 114.702 114.554 -0.038 0.000 2.813 13 T HA 0.468 4.817 4.350 -0.001 0.000 0.297 13 T C 0.715 175.431 174.700 0.027 0.000 1.036 13 T CA -0.277 61.827 62.100 0.007 0.000 1.044 13 T CB 0.932 69.771 68.868 -0.048 0.000 0.993 13 T HN 0.778 nan 8.240 nan 0.000 0.535 14 A N 1.714 124.587 122.820 0.089 0.000 2.498 14 A HA 0.491 4.811 4.320 -0.001 0.000 0.239 14 A C 0.381 178.014 177.584 0.081 0.000 1.068 14 A CA -0.695 51.368 52.037 0.044 0.000 0.766 14 A CB -0.179 18.851 19.000 0.050 0.000 1.003 14 A HN 0.880 nan 8.150 nan 0.000 0.497 15 V N 2.773 122.676 119.914 -0.018 0.000 2.488 15 V HA 0.457 4.577 4.120 -0.001 0.000 0.277 15 V C 1.195 177.261 176.094 -0.047 0.000 1.046 15 V CA 0.255 62.545 62.300 -0.016 0.000 0.986 15 V CB 0.763 32.536 31.823 -0.084 0.000 0.989 15 V HN 1.081 nan 8.190 nan 0.000 0.475 16 G N 3.554 112.325 108.800 -0.048 0.000 2.451 16 G HA2 0.484 4.443 3.960 -0.001 0.000 0.303 16 G HA3 0.484 4.443 3.960 -0.001 0.000 0.303 16 G C 0.014 174.907 174.900 -0.011 0.000 1.166 16 G CA -0.372 44.634 45.100 -0.158 0.000 0.884 16 G HN 0.679 nan 8.290 nan 0.000 0.514 17 S N -0.368 115.359 115.700 0.044 0.000 2.624 17 S HA 0.323 4.792 4.470 -0.001 0.000 0.263 17 S C -0.290 174.436 174.600 0.211 0.000 1.287 17 S CA -0.399 57.924 58.200 0.206 0.000 0.990 17 S CB 0.849 64.186 63.200 0.229 0.000 0.950 17 S HN 0.414 nan 8.310 nan 0.000 0.561 18 F N 3.058 123.061 119.950 0.088 0.000 2.543 18 F HA 0.131 4.658 4.527 -0.001 0.000 0.375 18 F C 0.916 176.745 175.800 0.049 0.000 1.075 18 F CA -0.840 57.194 58.000 0.057 0.000 1.225 18 F CB -0.826 38.217 39.000 0.072 0.000 1.099 18 F HN 0.574 nan 8.300 nan 0.000 0.561 19 N N 2.701 121.126 118.700 -0.459 0.000 2.710 19 N HA -0.219 4.521 4.740 -0.001 0.000 0.249 19 N C 0.388 175.808 175.510 -0.150 0.000 1.059 19 N CA 0.935 53.759 53.050 -0.376 0.000 0.720 19 N CB -1.467 36.703 38.487 -0.528 0.000 0.983 19 N HN 0.791 nan 8.380 nan 0.000 0.544 20 G N -0.243 108.514 108.800 -0.071 0.000 3.392 20 G HA2 0.572 4.532 3.960 -0.001 0.000 0.188 20 G HA3 0.572 4.532 3.960 -0.001 0.000 0.188 20 G C 1.132 175.981 174.900 -0.085 0.000 1.485 20 G CA 0.374 45.440 45.100 -0.057 0.000 0.943 20 G HN 0.298 nan 8.290 nan 0.000 0.627 21 A N -0.605 122.110 122.820 -0.175 0.000 1.958 21 A HA 0.003 4.322 4.320 -0.001 0.000 0.221 21 A C 1.579 179.039 177.584 -0.207 0.000 1.178 21 A CA 1.712 53.576 52.037 -0.289 0.000 0.642 21 A CB -0.516 18.158 19.000 -0.543 0.000 0.816 21 A HN 0.348 nan 8.150 nan 0.000 0.453 22 F N -1.076 118.874 119.950 0.000 0.000 2.684 22 F HA 0.505 5.032 4.527 -0.001 0.000 0.298 22 F C 2.002 177.784 175.800 -0.031 0.000 1.120 22 F CA -0.871 57.119 58.000 -0.018 0.000 1.332 22 F CB -0.996 37.955 39.000 -0.083 0.000 0.986 22 F HN 0.233 nan 8.300 nan 0.000 0.524 23 A N 0.633 123.508 122.820 0.092 0.000 1.909 23 A HA -0.288 4.031 4.320 -0.001 0.000 0.221 23 A C 1.851 179.445 177.584 0.017 0.000 1.223 23 A CA 2.298 54.336 52.037 0.002 0.000 0.658 23 A CB -0.543 18.433 19.000 -0.040 0.000 0.831 23 A HN 0.336 nan 8.150 nan 0.000 0.462 24 N N -0.055 118.674 118.700 0.049 0.000 2.453 24 N HA 0.149 4.889 4.740 -0.001 0.000 0.270 24 N C -1.098 174.438 175.510 0.043 0.000 1.195 24 N CA 0.247 53.320 53.050 0.038 0.000 0.902 24 N CB 0.413 38.920 38.487 0.034 0.000 1.186 24 N HN 0.411 nan 8.380 nan 0.000 0.510 25 T N 0.979 115.558 114.554 0.040 0.000 2.770 25 T HA 0.389 4.739 4.350 -0.001 0.000 0.283 25 T C -2.710 171.930 174.700 -0.101 0.000 0.988 25 T CA -1.630 60.454 62.100 -0.025 0.000 0.957 25 T CB 2.198 71.024 68.868 -0.071 0.000 0.930 25 T HN -0.048 nan 8.240 nan 0.000 0.443 26 P HA 0.247 nan 4.420 nan 0.000 0.271 26 P C 0.740 177.868 177.300 -0.287 0.000 1.233 26 P CA -0.268 62.726 63.100 -0.177 0.000 0.764 26 P CB 0.425 31.985 31.700 -0.234 0.000 0.825 27 A N 4.363 127.083 122.820 -0.167 0.000 1.997 27 A HA -0.266 4.054 4.320 -0.001 0.000 0.221 27 A C 1.906 179.376 177.584 -0.190 0.000 1.172 27 A CA 1.909 53.839 52.037 -0.179 0.000 0.645 27 A CB -1.542 17.406 19.000 -0.087 0.000 0.813 27 A HN 0.768 nan 8.150 nan 0.000 0.454 28 H N -1.454 117.565 119.070 -0.086 0.000 2.457 28 H HA 0.039 4.595 4.556 -0.001 0.000 0.294 28 H C 1.493 176.783 175.328 -0.064 0.000 1.064 28 H CA 1.291 57.298 56.048 -0.069 0.000 1.330 28 H CB -0.341 29.397 29.762 -0.041 0.000 1.395 28 H HN 0.642 nan 8.280 nan 0.000 0.541 29 E N 0.900 120.736 120.200 -0.607 0.000 2.208 29 E HA 0.006 4.356 4.350 -0.001 0.000 0.193 29 E C 2.406 178.894 176.600 -0.188 0.000 0.988 29 E CA 0.466 56.686 56.400 -0.299 0.000 0.828 29 E CB 0.222 29.750 29.700 -0.287 0.000 0.763 29 E HN 0.467 nan 8.360 nan 0.000 0.478 30 L N -0.027 120.936 121.223 -0.432 0.000 2.217 30 L HA -0.004 4.336 4.340 -0.001 0.000 0.211 30 L C 2.467 179.175 176.870 -0.270 0.000 1.107 30 L CA 0.810 55.297 54.840 -0.588 0.000 0.783 30 L CB -0.630 40.998 42.059 -0.718 0.000 0.919 30 L HN 0.185 nan 8.230 nan 0.000 0.442 31 G N 0.392 109.090 108.800 -0.171 0.000 2.484 31 G HA2 -0.274 3.686 3.960 -0.001 0.000 0.215 31 G HA3 -0.274 3.686 3.960 -0.001 0.000 0.215 31 G C 1.821 176.697 174.900 -0.040 0.000 1.219 31 G CA 0.945 45.994 45.100 -0.085 0.000 0.791 31 G HN 0.418 nan 8.290 nan 0.000 0.550 32 A N 0.170 122.991 122.820 0.002 0.000 1.903 32 A HA -0.137 4.182 4.320 -0.001 0.000 0.219 32 A C 2.525 180.128 177.584 0.031 0.000 1.191 32 A CA 2.840 54.895 52.037 0.029 0.000 0.638 32 A CB -1.294 17.741 19.000 0.059 0.000 0.823 32 A HN 0.347 nan 8.150 nan 0.000 0.451 33 T N -0.420 114.168 114.554 0.057 0.000 2.607 33 T HA -0.183 4.167 4.350 -0.001 0.000 0.267 33 T C 1.849 176.573 174.700 0.040 0.000 1.049 33 T CA 1.797 63.952 62.100 0.092 0.000 1.162 33 T CB -0.658 68.365 68.868 0.258 0.000 0.863 33 T HN 0.158 nan 8.240 nan 0.000 0.424 34 V N 1.188 121.101 119.914 -0.001 0.000 2.332 34 V HA -0.177 3.943 4.120 -0.001 0.000 0.248 34 V C 2.350 178.443 176.094 -0.001 0.000 1.055 34 V CA 1.549 63.843 62.300 -0.010 0.000 1.038 34 V CB -0.643 31.156 31.823 -0.040 0.000 0.651 34 V HN 0.483 nan 8.190 nan 0.000 0.450 35 I N -0.128 120.439 120.570 -0.005 0.000 2.113 35 I HA -0.238 3.931 4.170 -0.001 0.000 0.238 35 I C 2.576 178.699 176.117 0.010 0.000 1.070 35 I CA 1.819 63.118 61.300 -0.002 0.000 1.332 35 I CB -0.676 37.321 38.000 -0.005 0.000 1.044 35 I HN 0.256 nan 8.210 nan 0.000 0.402 36 S N 1.061 116.771 115.700 0.016 0.000 2.392 36 S HA -0.283 4.186 4.470 -0.001 0.000 0.232 36 S C 2.191 176.804 174.600 0.023 0.000 1.041 36 S CA 1.516 59.728 58.200 0.020 0.000 1.026 36 S CB -0.629 62.585 63.200 0.022 0.000 0.845 36 S HN 0.579 nan 8.310 nan 0.000 0.465 37 A N 1.973 124.809 122.820 0.026 0.000 1.841 37 A HA -0.062 4.258 4.320 -0.001 0.000 0.214 37 A C 2.531 180.139 177.584 0.039 0.000 1.195 37 A CA 1.902 53.959 52.037 0.033 0.000 0.611 37 A CB -1.374 17.645 19.000 0.032 0.000 0.835 37 A HN 0.611 nan 8.150 nan 0.000 0.443 38 V N -1.570 118.367 119.914 0.038 0.000 2.317 38 V HA -0.278 3.842 4.120 -0.001 0.000 0.251 38 V C 2.220 178.337 176.094 0.037 0.000 1.065 38 V CA 1.924 64.252 62.300 0.046 0.000 1.049 38 V CB -1.292 30.552 31.823 0.033 0.000 0.651 38 V HN 0.327 nan 8.190 nan 0.000 0.450 39 L N 0.578 121.816 121.223 0.026 0.000 1.943 39 L HA -0.155 4.184 4.340 -0.001 0.000 0.215 39 L C 2.834 179.719 176.870 0.026 0.000 1.074 39 L CA 2.566 57.419 54.840 0.022 0.000 0.759 39 L CB -1.772 40.297 42.059 0.017 0.000 0.888 39 L HN 0.474 nan 8.230 nan 0.000 0.433 40 E N -0.445 119.770 120.200 0.026 0.000 2.035 40 E HA -0.278 4.071 4.350 -0.001 0.000 0.204 40 E C 2.160 178.780 176.600 0.033 0.000 1.025 40 E CA 1.848 58.264 56.400 0.026 0.000 0.835 40 E CB -0.214 29.501 29.700 0.025 0.000 0.764 40 E HN 0.406 nan 8.360 nan 0.000 0.457 41 R N 0.433 120.960 120.500 0.045 0.000 2.136 41 R HA -0.207 4.132 4.340 -0.001 0.000 0.242 41 R C 2.397 178.724 176.300 0.046 0.000 1.131 41 R CA 1.610 57.744 56.100 0.057 0.000 0.937 41 R CB -0.599 29.754 30.300 0.089 0.000 0.863 41 R HN 0.189 nan 8.270 nan 0.000 0.435 42 A N -0.422 122.423 122.820 0.041 0.000 2.119 42 A HA 0.131 4.451 4.320 -0.001 0.000 0.217 42 A C 1.734 179.330 177.584 0.021 0.000 1.153 42 A CA 1.253 53.307 52.037 0.028 0.000 0.692 42 A CB -0.224 18.791 19.000 0.024 0.000 0.799 42 A HN 0.600 nan 8.150 nan 0.000 0.458 43 G N -2.350 106.462 108.800 0.021 0.000 2.179 43 G HA2 -0.178 3.782 3.960 -0.001 0.000 0.220 43 G HA3 -0.178 3.782 3.960 -0.001 0.000 0.220 43 G C 0.182 175.090 174.900 0.014 0.000 0.990 43 G CA 0.040 45.150 45.100 0.017 0.000 0.646 43 G HN 0.775 nan 8.290 nan 0.000 0.517 44 V N 1.347 121.269 119.914 0.014 0.000 2.649 44 V HA 0.674 4.793 4.120 -0.001 0.000 0.292 44 V C 0.926 177.027 176.094 0.012 0.000 1.055 44 V CA 0.072 62.380 62.300 0.012 0.000 1.023 44 V CB 1.534 33.364 31.823 0.011 0.000 0.992 44 V HN 1.130 nan 8.190 nan 0.000 0.480 45 A N 3.536 126.362 122.820 0.010 0.000 2.290 45 A HA 0.702 5.022 4.320 -0.001 0.000 0.310 45 A C 1.350 178.940 177.584 0.009 0.000 1.202 45 A CA 0.101 52.144 52.037 0.010 0.000 0.837 45 A CB 0.960 19.966 19.000 0.009 0.000 1.139 45 A HN 1.342 nan 8.150 nan 0.000 0.509 46 A N 3.014 125.839 122.820 0.009 0.000 1.944 46 A HA -0.185 4.135 4.320 -0.001 0.000 0.222 46 A C 2.319 179.909 177.584 0.009 0.000 1.237 46 A CA 3.035 55.077 52.037 0.009 0.000 0.668 46 A CB -1.483 17.522 19.000 0.009 0.000 0.830 46 A HN 1.687 nan 8.150 nan 0.000 0.471 47 G N -0.850 107.955 108.800 0.009 0.000 2.513 47 G HA2 -0.286 3.674 3.960 -0.001 0.000 0.219 47 G HA3 -0.286 3.674 3.960 -0.001 0.000 0.219 47 G C 1.337 176.243 174.900 0.010 0.000 1.160 47 G CA 1.151 46.257 45.100 0.009 0.000 0.767 47 G HN 0.709 nan 8.290 nan 0.000 0.571 48 E N -0.347 119.859 120.200 0.009 0.000 2.511 48 E HA 0.127 4.477 4.350 -0.001 0.000 0.196 48 E C 0.421 177.027 176.600 0.011 0.000 1.066 48 E CA -0.527 55.879 56.400 0.010 0.000 0.871 48 E CB 0.309 30.015 29.700 0.009 0.000 0.863 48 E HN 0.192 nan 8.360 nan 0.000 0.520 49 V N 2.338 122.258 119.914 0.011 0.000 2.529 49 V HA -0.095 4.024 4.120 -0.001 0.000 0.292 49 V C 0.901 177.005 176.094 0.017 0.000 1.028 49 V CA 0.499 62.806 62.300 0.012 0.000 1.074 49 V CB 0.903 32.731 31.823 0.009 0.000 0.958 49 V HN 0.230 nan 8.190 nan 0.000 0.481 50 N N 2.971 121.684 118.700 0.021 0.000 2.148 50 N HA 0.028 4.768 4.740 -0.001 0.000 0.186 50 N C 0.484 176.020 175.510 0.044 0.000 1.031 50 N CA 0.761 53.829 53.050 0.031 0.000 0.848 50 N CB 0.315 38.822 38.487 0.034 0.000 1.005 50 N HN 0.836 nan 8.380 nan 0.000 0.427 51 E N -0.360 119.869 120.200 0.048 0.000 2.366 51 E HA 0.414 4.763 4.350 -0.001 0.000 0.278 51 E C -1.918 174.695 176.600 0.023 0.000 0.923 51 E CA -0.649 55.796 56.400 0.075 0.000 0.761 51 E CB 1.875 31.663 29.700 0.147 0.000 1.231 51 E HN -0.254 nan 8.360 nan 0.000 0.443 52 V N 4.922 124.833 119.914 -0.006 0.000 2.376 52 V HA 0.401 4.520 4.120 -0.001 0.000 0.287 52 V C -0.263 175.663 176.094 -0.280 0.000 1.015 52 V CA -0.561 61.678 62.300 -0.101 0.000 0.834 52 V CB 0.938 32.718 31.823 -0.072 0.000 1.001 52 V HN 0.578 nan 8.190 nan 0.000 0.428 53 I N 6.224 126.538 120.570 -0.426 0.000 2.321 53 I HA 0.517 4.687 4.170 -0.001 0.000 0.291 53 I C -0.600 175.187 176.117 -0.550 0.000 0.998 53 I CA -0.334 60.452 61.300 -0.857 0.000 1.227 53 I CB 1.329 38.798 38.000 -0.886 0.000 1.368 53 I HN 0.356 nan 8.210 nan 0.000 0.466 54 L N 5.162 126.072 121.223 -0.521 0.000 2.410 54 L HA 0.589 4.929 4.340 -0.001 0.000 0.270 54 L C 0.418 177.131 176.870 -0.262 0.000 0.983 54 L CA -0.618 54.041 54.840 -0.302 0.000 0.822 54 L CB 2.211 44.152 42.059 -0.197 0.000 1.285 54 L HN 0.665 nan 8.230 nan 0.000 0.409 55 G N 1.477 110.159 108.800 -0.196 0.000 2.444 55 G HA2 0.489 4.449 3.960 -0.001 0.000 0.268 55 G HA3 0.489 4.449 3.960 -0.001 0.000 0.268 55 G C -0.917 173.925 174.900 -0.097 0.000 1.203 55 G CA 0.006 45.024 45.100 -0.137 0.000 0.835 55 G HN 0.617 nan 8.290 nan 0.000 0.543 56 Q N 1.365 121.127 119.800 -0.064 0.000 2.443 56 Q HA 0.269 4.609 4.340 -0.001 0.000 0.241 56 Q C -0.708 175.278 176.000 -0.023 0.000 0.880 56 Q CA -0.642 55.135 55.803 -0.043 0.000 0.974 56 Q CB 1.524 30.241 28.738 -0.035 0.000 1.482 56 Q HN 0.283 nan 8.270 nan 0.000 0.448 57 V N 3.772 123.672 119.914 -0.023 0.000 2.672 57 V HA 0.153 4.273 4.120 -0.001 0.000 0.242 57 V C 0.471 176.560 176.094 -0.008 0.000 1.059 57 V CA 0.694 62.985 62.300 -0.014 0.000 1.081 57 V CB 0.266 32.078 31.823 -0.019 0.000 0.752 57 V HN 0.686 nan 8.190 nan 0.000 0.472 58 L N 2.886 124.103 121.223 -0.009 0.000 2.426 58 L HA 0.357 4.696 4.340 -0.001 0.000 0.255 58 L C -1.946 174.928 176.870 0.006 0.000 1.080 58 L CA -0.851 53.987 54.840 -0.002 0.000 0.960 58 L CB 1.020 43.078 42.059 -0.002 0.000 1.326 58 L HN 0.160 nan 8.230 nan 0.000 0.441 59 P HA 0.118 nan 4.420 nan 0.000 0.266 59 P C 0.423 177.736 177.300 0.023 0.000 1.381 59 P CA -0.101 63.010 63.100 0.017 0.000 0.940 59 P CB 0.584 32.294 31.700 0.015 0.000 1.435 60 A N 0.871 123.704 122.820 0.021 0.000 2.526 60 A HA 0.413 4.733 4.320 -0.001 0.000 0.267 60 A C 1.583 179.186 177.584 0.032 0.000 1.095 60 A CA 0.819 52.870 52.037 0.024 0.000 0.775 60 A CB -1.313 17.698 19.000 0.019 0.000 1.036 60 A HN 0.390 nan 8.150 nan 0.000 0.510 61 G N 1.877 110.697 108.800 0.032 0.000 2.176 61 G HA2 -0.307 3.653 3.960 -0.001 0.000 0.253 61 G HA3 -0.307 3.653 3.960 -0.001 0.000 0.253 61 G C 0.784 175.707 174.900 0.038 0.000 0.979 61 G CA 0.827 45.948 45.100 0.036 0.000 0.641 61 G HN 0.900 nan 8.290 nan 0.000 0.530 62 E N 0.274 120.498 120.200 0.041 0.000 2.285 62 E HA 0.399 4.748 4.350 -0.001 0.000 0.194 62 E C 1.314 177.932 176.600 0.031 0.000 0.997 62 E CA 1.321 57.755 56.400 0.057 0.000 0.845 62 E CB -0.074 29.673 29.700 0.079 0.000 0.782 62 E HN 1.827 nan 8.360 nan 0.000 0.491 63 G N 0.301 109.107 108.800 0.010 0.000 2.515 63 G HA2 -0.191 3.769 3.960 -0.001 0.000 0.686 63 G HA3 -0.191 3.769 3.960 -0.001 0.000 0.686 63 G C -1.206 173.680 174.900 -0.023 0.000 1.274 63 G CA -0.616 44.475 45.100 -0.014 0.000 0.874 63 G HN 0.176 nan 8.290 nan 0.000 0.631 64 Q N 0.489 120.274 119.800 -0.024 0.000 2.283 64 Q HA 0.091 4.431 4.340 -0.001 0.000 0.301 64 Q C 1.004 176.987 176.000 -0.027 0.000 1.063 64 Q CA 0.497 56.289 55.803 -0.018 0.000 0.952 64 Q CB 0.224 28.953 28.738 -0.016 0.000 1.166 64 Q HN 0.744 nan 8.270 nan 0.000 0.381 65 N N 2.838 121.535 118.700 -0.006 0.000 2.676 65 N HA -0.172 4.567 4.740 -0.001 0.000 0.290 65 N C -2.266 173.225 175.510 -0.032 0.000 1.109 65 N CA -0.020 53.031 53.050 0.002 0.000 0.779 65 N CB -0.081 38.418 38.487 0.021 0.000 0.947 65 N HN 0.413 nan 8.380 nan 0.000 0.566 66 P HA -0.065 nan 4.420 nan 0.000 0.218 66 P C 1.154 178.433 177.300 -0.035 0.000 1.149 66 P CA 1.697 64.762 63.100 -0.059 0.000 0.817 66 P CB 0.058 31.761 31.700 0.006 0.000 0.785 67 A N 0.343 123.149 122.820 -0.023 0.000 1.892 67 A HA -0.278 4.042 4.320 -0.001 0.000 0.218 67 A C 2.423 179.990 177.584 -0.028 0.000 1.188 67 A CA 2.287 54.302 52.037 -0.037 0.000 0.631 67 A CB -1.243 17.717 19.000 -0.066 0.000 0.822 67 A HN 0.020 nan 8.150 nan 0.000 0.447 68 R N 0.033 120.521 120.500 -0.020 0.000 2.105 68 R HA -0.153 4.187 4.340 -0.001 0.000 0.239 68 R C 2.220 178.492 176.300 -0.047 0.000 1.135 68 R CA 2.246 58.335 56.100 -0.019 0.000 0.967 68 R CB -0.612 29.681 30.300 -0.011 0.000 0.861 68 R HN 0.724 nan 8.270 nan 0.000 0.442 69 Q N -0.800 118.936 119.800 -0.107 0.000 2.172 69 Q HA -0.012 4.328 4.340 -0.001 0.000 0.200 69 Q C 2.102 178.083 176.000 -0.032 0.000 0.964 69 Q CA 1.312 57.002 55.803 -0.189 0.000 0.855 69 Q CB -0.134 28.253 28.738 -0.585 0.000 0.918 69 Q HN 0.457 nan 8.270 nan 0.000 0.444 70 A N 1.588 124.433 122.820 0.041 0.000 1.858 70 A HA -0.174 4.146 4.320 -0.001 0.000 0.216 70 A C 2.361 179.972 177.584 0.044 0.000 1.190 70 A CA 1.715 53.810 52.037 0.096 0.000 0.617 70 A CB -0.980 18.053 19.000 0.056 0.000 0.827 70 A HN 0.392 nan 8.150 nan 0.000 0.443 71 A N -0.432 122.395 122.820 0.012 0.000 1.859 71 A HA -0.240 4.080 4.320 -0.001 0.000 0.217 71 A C 2.267 179.858 177.584 0.013 0.000 1.198 71 A CA 2.384 54.424 52.037 0.006 0.000 0.629 71 A CB -0.654 18.346 19.000 -0.000 0.000 0.830 71 A HN 0.479 nan 8.150 nan 0.000 0.446 72 M N -0.872 118.734 119.600 0.009 0.000 2.073 72 M HA -0.196 4.283 4.480 -0.001 0.000 0.258 72 M C 2.200 178.513 176.300 0.022 0.000 1.070 72 M CA 2.280 57.587 55.300 0.011 0.000 1.103 72 M CB -1.120 31.481 32.600 0.001 0.000 1.321 72 M HN 0.541 nan 8.290 nan 0.000 0.405 73 K N 0.261 120.684 120.400 0.040 0.000 2.211 73 K HA -0.080 4.239 4.320 -0.001 0.000 0.204 73 K C 1.509 178.133 176.600 0.039 0.000 1.047 73 K CA 1.421 57.740 56.287 0.053 0.000 0.935 73 K CB -0.040 32.520 32.500 0.100 0.000 0.728 73 K HN 0.311 nan 8.250 nan 0.000 0.452 74 A N -0.638 122.202 122.820 0.033 0.000 2.307 74 A HA 0.308 4.628 4.320 -0.001 0.000 0.218 74 A C 1.262 178.856 177.584 0.017 0.000 1.228 74 A CA 0.533 52.584 52.037 0.024 0.000 0.857 74 A CB -0.211 18.802 19.000 0.021 0.000 0.897 74 A HN 0.503 nan 8.150 nan 0.000 0.495 75 G N -1.484 107.325 108.800 0.016 0.000 2.194 75 G HA2 -0.222 3.738 3.960 -0.001 0.000 0.236 75 G HA3 -0.222 3.738 3.960 -0.001 0.000 0.236 75 G C 0.246 175.153 174.900 0.011 0.000 0.987 75 G CA -0.040 45.068 45.100 0.012 0.000 0.635 75 G HN 0.845 nan 8.290 nan 0.000 0.520 76 V N 3.908 123.828 119.914 0.011 0.000 2.458 76 V HA 0.292 4.412 4.120 -0.001 0.000 0.287 76 V C -0.657 175.443 176.094 0.010 0.000 1.009 76 V CA -0.598 61.708 62.300 0.010 0.000 1.091 76 V CB 0.362 32.190 31.823 0.008 0.000 0.960 76 V HN 0.357 nan 8.190 nan 0.000 0.476 77 P HA -0.019 nan 4.420 nan 0.000 0.269 77 P C 0.739 178.045 177.300 0.010 0.000 1.211 77 P CA -0.170 62.935 63.100 0.009 0.000 0.781 77 P CB 0.484 32.190 31.700 0.009 0.000 0.877 78 Q N 0.220 120.024 119.800 0.008 0.000 2.443 78 Q HA -0.207 4.133 4.340 -0.001 0.000 0.213 78 Q C 1.560 177.566 176.000 0.010 0.000 0.982 78 Q CA 1.422 57.230 55.803 0.007 0.000 0.894 78 Q CB -0.330 28.411 28.738 0.005 0.000 0.947 78 Q HN 0.564 nan 8.270 nan 0.000 0.480 79 E N 0.866 121.072 120.200 0.011 0.000 2.166 79 E HA 0.113 4.462 4.350 -0.001 0.000 0.192 79 E C 0.194 176.805 176.600 0.018 0.000 0.967 79 E CA 0.370 56.778 56.400 0.012 0.000 0.840 79 E CB 0.211 29.917 29.700 0.010 0.000 0.795 79 E HN 0.427 nan 8.360 nan 0.000 0.470 80 A N 1.259 124.092 122.820 0.021 0.000 2.507 80 A HA 0.133 4.453 4.320 -0.001 0.000 0.235 80 A C 0.504 178.112 177.584 0.041 0.000 1.070 80 A CA 0.453 52.508 52.037 0.029 0.000 0.768 80 A CB 0.118 19.133 19.000 0.025 0.000 1.011 80 A HN 0.333 nan 8.150 nan 0.000 0.502 81 T N -1.278 113.314 114.554 0.063 0.000 2.934 81 T HA 0.758 5.108 4.350 -0.001 0.000 0.283 81 T C -0.254 174.526 174.700 0.133 0.000 1.005 81 T CA -0.065 62.092 62.100 0.095 0.000 1.041 81 T CB 1.649 70.581 68.868 0.107 0.000 1.042 81 T HN 1.939 nan 8.240 nan 0.000 0.505 82 A N 1.820 124.743 122.820 0.172 0.000 2.520 82 A HA 0.762 5.081 4.320 -0.001 0.000 0.298 82 A C -1.454 176.304 177.584 0.290 0.000 1.051 82 A CA -1.103 51.031 52.037 0.160 0.000 0.690 82 A CB 1.401 20.430 19.000 0.048 0.000 1.281 82 A HN 1.067 nan 8.150 nan 0.000 0.402 83 W N 1.018 122.305 121.300 -0.023 0.000 3.213 83 W HA 0.721 5.381 4.660 -0.001 0.000 0.318 83 W C -0.405 176.100 176.519 -0.025 0.000 1.248 83 W CA -0.916 56.415 57.345 -0.024 0.000 1.187 83 W CB 0.961 30.407 29.460 -0.023 0.000 1.403 83 W HN 1.215 nan 8.180 nan 0.000 0.556 84 G N 1.520 110.397 108.800 0.129 0.000 2.454 84 G HA2 0.845 4.805 3.960 -0.001 0.000 0.329 84 G HA3 0.845 4.805 3.960 -0.001 0.000 0.329 84 G C -1.137 173.822 174.900 0.097 0.000 1.177 84 G CA -0.974 44.123 45.100 -0.006 0.000 0.951 84 G HN 0.652 nan 8.290 nan 0.000 0.485 85 M N -0.392 119.212 119.600 0.006 0.000 2.773 85 M HA 0.683 5.163 4.480 -0.001 0.000 0.270 85 M C -1.524 174.785 176.300 0.014 0.000 1.238 85 M CA -1.135 54.209 55.300 0.074 0.000 0.832 85 M CB 2.182 34.856 32.600 0.124 0.000 1.672 85 M HN 0.440 nan 8.290 nan 0.000 0.480 86 N N 0.263 118.985 118.700 0.037 0.000 2.455 86 N HA 0.449 5.189 4.740 -0.001 0.000 0.285 86 N C -1.935 173.594 175.510 0.031 0.000 1.080 86 N CA -0.150 52.912 53.050 0.021 0.000 0.932 86 N CB 2.218 40.721 38.487 0.025 0.000 1.610 86 N HN 0.929 nan 8.380 nan 0.000 0.493 87 Q N 4.872 124.684 119.800 0.021 0.000 2.155 87 Q HA 0.335 4.675 4.340 -0.001 0.000 0.278 87 Q C -0.190 175.826 176.000 0.027 0.000 0.851 87 Q CA -0.244 55.579 55.803 0.034 0.000 1.052 87 Q CB 0.049 28.809 28.738 0.038 0.000 1.307 87 Q HN 0.774 nan 8.270 nan 0.000 0.403 88 L N -1.723 119.511 121.223 0.019 0.000 7.382 88 L HA -0.481 3.858 4.340 -0.001 0.000 0.055 88 L C 1.327 178.193 176.870 -0.007 0.000 1.434 88 L CA 1.283 56.131 54.840 0.013 0.000 1.563 88 L CB -1.288 40.791 42.059 0.033 0.000 2.813 88 L HN 0.571 nan 8.230 nan 0.000 1.135 89 C N -0.311 118.991 119.300 0.004 0.000 2.398 89 C HA -0.144 4.316 4.460 -0.001 0.000 0.279 89 C C 2.152 177.091 174.990 -0.084 0.000 1.250 89 C CA 0.848 59.841 59.018 -0.042 0.000 1.786 89 C CB -1.940 25.832 27.740 0.054 0.000 2.018 89 C HN 0.884 nan 8.230 nan 0.000 0.494 90 G N 0.305 109.091 108.800 -0.023 0.000 2.848 90 G HA2 0.040 4.000 3.960 -0.001 0.000 0.208 90 G HA3 0.040 4.000 3.960 -0.001 0.000 0.208 90 G C 1.507 176.388 174.900 -0.031 0.000 1.152 90 G CA 0.752 45.843 45.100 -0.016 0.000 0.789 90 G HN 0.579 nan 8.290 nan 0.000 0.531 91 S N 0.909 116.583 115.700 -0.044 0.000 2.353 91 S HA -0.114 4.356 4.470 -0.001 0.000 0.222 91 S C 2.526 177.072 174.600 -0.090 0.000 1.035 91 S CA 1.297 59.462 58.200 -0.058 0.000 1.025 91 S CB -0.553 62.612 63.200 -0.058 0.000 0.902 91 S HN 0.477 nan 8.310 nan 0.000 0.440 92 G N 1.081 109.823 108.800 -0.098 0.000 2.422 92 G HA2 -0.091 3.869 3.960 -0.001 0.000 0.218 92 G HA3 -0.091 3.869 3.960 -0.001 0.000 0.218 92 G C 1.376 176.216 174.900 -0.099 0.000 1.140 92 G CA 0.681 45.716 45.100 -0.108 0.000 0.775 92 G HN 0.382 nan 8.290 nan 0.000 0.545 93 L N 0.439 121.613 121.223 -0.081 0.000 2.084 93 L HA 0.287 4.627 4.340 -0.001 0.000 0.202 93 L C 2.668 179.484 176.870 -0.090 0.000 1.074 93 L CA 1.569 56.372 54.840 -0.061 0.000 0.757 93 L CB -0.646 41.401 42.059 -0.020 0.000 0.918 93 L HN 0.156 nan 8.230 nan 0.000 0.444 94 R N 0.586 121.034 120.500 -0.086 0.000 2.117 94 R HA -0.150 4.190 4.340 -0.001 0.000 0.243 94 R C 2.096 178.269 176.300 -0.213 0.000 1.143 94 R CA 1.797 57.806 56.100 -0.151 0.000 0.968 94 R CB -1.049 29.203 30.300 -0.080 0.000 0.863 94 R HN 0.504 nan 8.270 nan 0.000 0.444 95 A N -0.325 122.388 122.820 -0.179 0.000 1.948 95 A HA -0.143 4.177 4.320 -0.001 0.000 0.220 95 A C 2.363 179.817 177.584 -0.216 0.000 1.177 95 A CA 1.881 53.783 52.037 -0.225 0.000 0.636 95 A CB -0.770 18.083 19.000 -0.245 0.000 0.815 95 A HN 0.205 nan 8.150 nan 0.000 0.449 96 V N -0.249 119.558 119.914 -0.179 0.000 2.287 96 V HA -0.280 3.840 4.120 -0.001 0.000 0.248 96 V C 3.067 179.045 176.094 -0.193 0.000 1.053 96 V CA 2.037 64.247 62.300 -0.150 0.000 1.027 96 V CB -1.254 30.509 31.823 -0.100 0.000 0.646 96 V HN 0.641 nan 8.190 nan 0.000 0.447 97 A N -0.248 122.389 122.820 -0.305 0.000 1.940 97 A HA -0.166 4.153 4.320 -0.001 0.000 0.219 97 A C 2.164 179.492 177.584 -0.426 0.000 1.176 97 A CA 1.845 53.569 52.037 -0.521 0.000 0.631 97 A CB -0.547 17.791 19.000 -1.104 0.000 0.814 97 A HN 0.543 nan 8.150 nan 0.000 0.446 98 L N -0.924 120.110 121.223 -0.314 0.000 2.217 98 L HA -0.042 4.298 4.340 -0.001 0.000 0.211 98 L C 2.709 179.560 176.870 -0.032 0.000 1.107 98 L CA 0.728 55.494 54.840 -0.123 0.000 0.783 98 L CB -0.690 41.378 42.059 0.014 0.000 0.919 98 L HN 0.477 nan 8.230 nan 0.000 0.442 99 G N -0.141 108.607 108.800 -0.087 0.000 2.394 99 G HA2 -0.259 3.701 3.960 -0.001 0.000 0.214 99 G HA3 -0.259 3.701 3.960 -0.001 0.000 0.214 99 G C 1.604 176.481 174.900 -0.038 0.000 1.176 99 G CA 0.442 45.513 45.100 -0.049 0.000 0.786 99 G HN 0.131 nan 8.290 nan 0.000 0.533 100 M N 0.811 120.367 119.600 -0.073 0.000 2.082 100 M HA -0.148 4.331 4.480 -0.001 0.000 0.258 100 M C 2.480 178.767 176.300 -0.022 0.000 1.069 100 M CA 1.825 57.096 55.300 -0.048 0.000 1.102 100 M CB -0.792 31.767 32.600 -0.070 0.000 1.336 100 M HN 0.369 nan 8.290 nan 0.000 0.404 101 Q N -0.487 119.293 119.800 -0.035 0.000 2.224 101 Q HA -0.181 4.158 4.340 -0.001 0.000 0.203 101 Q C 1.951 177.964 176.000 0.022 0.000 0.970 101 Q CA 1.082 56.888 55.803 0.004 0.000 0.865 101 Q CB -0.187 28.551 28.738 0.001 0.000 0.922 101 Q HN 0.567 nan 8.270 nan 0.000 0.445 102 Q N 0.579 120.397 119.800 0.030 0.000 2.084 102 Q HA -0.137 4.203 4.340 -0.001 0.000 0.202 102 Q C 2.074 178.090 176.000 0.027 0.000 0.978 102 Q CA 1.284 57.112 55.803 0.041 0.000 0.844 102 Q CB -0.282 28.497 28.738 0.069 0.000 0.898 102 Q HN 0.391 nan 8.270 nan 0.000 0.426 103 I N 0.862 121.444 120.570 0.020 0.000 2.163 103 I HA -0.193 3.977 4.170 -0.001 0.000 0.240 103 I C 2.203 178.330 176.117 0.017 0.000 1.081 103 I CA 1.366 62.675 61.300 0.016 0.000 1.353 103 I CB -0.655 37.352 38.000 0.011 0.000 1.054 103 I HN 0.072 nan 8.210 nan 0.000 0.407 104 A N -0.282 122.550 122.820 0.019 0.000 2.125 104 A HA -0.197 4.123 4.320 -0.001 0.000 0.219 104 A C 2.330 179.927 177.584 0.023 0.000 1.156 104 A CA 2.192 54.243 52.037 0.023 0.000 0.671 104 A CB -1.101 17.919 19.000 0.032 0.000 0.794 104 A HN 0.557 nan 8.150 nan 0.000 0.459 105 T N -6.066 108.500 114.554 0.021 0.000 3.015 105 T HA 0.436 4.786 4.350 -0.001 0.000 0.250 105 T C 1.170 175.877 174.700 0.013 0.000 1.057 105 T CA 1.217 63.328 62.100 0.018 0.000 1.066 105 T CB 0.463 69.342 68.868 0.018 0.000 0.959 105 T HN 1.537 nan 8.240 nan 0.000 0.488 106 G N 0.563 109.371 108.800 0.012 0.000 2.161 106 G HA2 -0.058 3.902 3.960 -0.001 0.000 0.140 106 G HA3 -0.058 3.902 3.960 -0.001 0.000 0.140 106 G C 0.123 175.028 174.900 0.008 0.000 1.040 106 G CA 0.235 45.341 45.100 0.009 0.000 0.735 106 G HN 0.430 nan 8.290 nan 0.000 0.496 107 D N -0.126 120.280 120.400 0.011 0.000 2.473 107 D HA 0.510 5.150 4.640 -0.001 0.000 0.230 107 D C 1.060 177.370 176.300 0.017 0.000 1.097 107 D CA 1.170 55.176 54.000 0.011 0.000 0.861 107 D CB 1.292 42.097 40.800 0.009 0.000 1.114 107 D HN 0.991 nan 8.370 nan 0.000 0.500 108 A N -0.281 122.551 122.820 0.020 0.000 2.577 108 A HA 0.500 4.820 4.320 -0.001 0.000 0.297 108 A C 0.421 178.016 177.584 0.018 0.000 1.060 108 A CA -0.403 51.647 52.037 0.022 0.000 0.697 108 A CB 1.314 20.334 19.000 0.034 0.000 1.281 108 A HN -0.128 nan 8.150 nan 0.000 0.402 109 S N 0.649 116.359 115.700 0.016 0.000 2.362 109 S HA 0.249 4.719 4.470 -0.001 0.000 0.221 109 S C 0.577 175.184 174.600 0.012 0.000 1.032 109 S CA 0.978 59.186 58.200 0.013 0.000 0.973 109 S CB -0.048 63.159 63.200 0.011 0.000 0.849 109 S HN 0.604 nan 8.310 nan 0.000 0.465 110 I N 2.343 122.921 120.570 0.013 0.000 2.534 110 I HA 0.339 4.508 4.170 -0.001 0.000 0.286 110 I C -1.575 174.548 176.117 0.010 0.000 1.094 110 I CA -0.435 60.871 61.300 0.010 0.000 1.055 110 I CB 1.887 39.892 38.000 0.008 0.000 1.225 110 I HN 0.085 nan 8.210 nan 0.000 0.435 111 I N 6.537 127.110 120.570 0.005 0.000 2.493 111 I HA 0.416 4.586 4.170 -0.001 0.000 0.298 111 I C 0.114 176.219 176.117 -0.020 0.000 0.998 111 I CA -0.989 60.310 61.300 -0.001 0.000 1.137 111 I CB 2.140 40.139 38.000 -0.001 0.000 1.310 111 I HN 0.089 nan 8.210 nan 0.000 0.445 112 V N 5.058 124.952 119.914 -0.032 0.000 2.407 112 V HA 0.735 4.854 4.120 -0.001 0.000 0.278 112 V C 0.290 176.329 176.094 -0.091 0.000 1.037 112 V CA -0.399 61.872 62.300 -0.048 0.000 0.900 112 V CB 1.453 33.253 31.823 -0.038 0.000 0.983 112 V HN 0.918 nan 8.190 nan 0.000 0.459 113 A N 3.859 126.622 122.820 -0.095 0.000 2.386 113 A HA 1.019 5.339 4.320 -0.001 0.000 0.311 113 A C 0.113 177.628 177.584 -0.115 0.000 1.068 113 A CA 0.190 52.144 52.037 -0.139 0.000 0.743 113 A CB 2.009 20.923 19.000 -0.144 0.000 1.258 113 A HN 1.197 nan 8.150 nan 0.000 0.429 114 G N -0.339 108.377 108.800 -0.141 0.000 2.529 114 G HA2 0.759 4.719 3.960 -0.001 0.000 0.238 114 G HA3 0.759 4.719 3.960 -0.001 0.000 0.238 114 G C -0.274 174.546 174.900 -0.133 0.000 1.207 114 G CA 0.349 45.381 45.100 -0.113 0.000 0.928 114 G HN 1.940 nan 8.290 nan 0.000 0.495 115 G N -0.888 107.842 108.800 -0.116 0.000 2.623 115 G HA2 0.731 4.691 3.960 -0.001 0.000 0.290 115 G HA3 0.731 4.691 3.960 -0.001 0.000 0.290 115 G C -0.866 173.971 174.900 -0.105 0.000 1.437 115 G CA 0.017 45.047 45.100 -0.117 0.000 0.798 115 G HN 1.460 nan 8.290 nan 0.000 0.488 116 M N -0.792 118.750 119.600 -0.097 0.000 2.578 116 M HA 0.926 5.406 4.480 -0.001 0.000 0.276 116 M C -1.796 174.456 176.300 -0.080 0.000 1.245 116 M CA -1.013 54.229 55.300 -0.097 0.000 0.871 116 M CB 2.813 35.355 32.600 -0.098 0.000 1.722 116 M HN 0.436 nan 8.290 nan 0.000 0.473 117 E N 0.770 120.922 120.200 -0.081 0.000 2.415 117 E HA 0.371 4.721 4.350 -0.001 0.000 0.302 117 E C -1.914 174.664 176.600 -0.037 0.000 0.907 117 E CA -0.020 56.348 56.400 -0.053 0.000 0.798 117 E CB 2.211 31.879 29.700 -0.053 0.000 1.315 117 E HN 0.703 nan 8.360 nan 0.000 0.396 118 S N 5.445 121.136 115.700 -0.015 0.000 2.457 118 S HA 0.249 4.719 4.470 -0.001 0.000 0.216 118 S C 1.020 175.666 174.600 0.077 0.000 1.392 118 S CA -0.368 57.844 58.200 0.020 0.000 1.102 118 S CB -0.032 63.164 63.200 -0.007 0.000 1.114 118 S HN 0.693 nan 8.310 nan 0.000 0.484 119 M N 1.739 121.410 119.600 0.119 0.000 2.267 119 M HA -0.110 4.370 4.480 -0.001 0.000 0.263 119 M C 2.250 178.808 176.300 0.430 0.000 1.063 119 M CA 1.403 56.826 55.300 0.205 0.000 1.090 119 M CB -0.542 32.123 32.600 0.109 0.000 1.392 119 M HN 0.564 nan 8.290 nan 0.000 0.422 120 S N 0.668 116.560 115.700 0.319 0.000 2.343 120 S HA -0.060 4.410 4.470 -0.001 0.000 0.219 120 S C 1.752 176.392 174.600 0.066 0.000 1.033 120 S CA 1.243 59.497 58.200 0.090 0.000 1.014 120 S CB -0.223 62.966 63.200 -0.018 0.000 0.915 120 S HN 0.473 nan 8.310 nan 0.000 0.435 121 M N 1.403 121.042 119.600 0.065 0.000 2.686 121 M HA 0.195 4.674 4.480 -0.001 0.000 0.246 121 M C 0.783 177.123 176.300 0.065 0.000 1.096 121 M CA 0.043 55.374 55.300 0.051 0.000 1.076 121 M CB -1.638 30.983 32.600 0.036 0.000 1.504 121 M HN 0.171 nan 8.290 nan 0.000 0.524 122 A N 2.715 125.586 122.820 0.085 0.000 2.522 122 A HA 0.370 4.690 4.320 -0.001 0.000 0.256 122 A C -2.122 175.482 177.584 0.033 0.000 1.086 122 A CA -0.811 51.259 52.037 0.055 0.000 0.763 122 A CB -0.694 18.338 19.000 0.053 0.000 1.024 122 A HN 0.153 nan 8.150 nan 0.000 0.502 123 P HA 0.448 nan 4.420 nan 0.000 0.278 123 P C -0.542 176.735 177.300 -0.037 0.000 1.266 123 P CA -0.291 62.843 63.100 0.058 0.000 0.807 123 P CB 0.533 32.272 31.700 0.066 0.000 1.094 124 H N -1.291 117.818 119.070 0.064 0.000 2.508 124 H HA 0.637 5.193 4.556 0.000 0.000 0.344 124 H C 0.071 175.442 175.328 0.071 0.000 1.192 124 H CA -0.077 56.012 56.048 0.069 0.000 1.290 124 H CB 0.566 30.367 29.762 0.066 0.000 1.571 124 H HN 0.625 nan 8.280 nan 0.000 0.555 125 C N -0.017 119.395 119.300 0.187 0.000 3.307 125 C HA 0.941 5.401 4.460 -0.001 0.000 0.333 125 C C -1.147 173.941 174.990 0.163 0.000 1.291 125 C CA -0.583 58.521 59.018 0.143 0.000 1.273 125 C CB 0.561 28.356 27.740 0.092 0.000 1.580 125 C HN 1.058 nan 8.230 nan 0.000 0.481 126 A N 0.712 123.620 122.820 0.146 0.000 2.572 126 A HA 0.743 5.062 4.320 -0.001 0.000 0.295 126 A C -1.142 176.485 177.584 0.071 0.000 1.072 126 A CA -0.262 51.859 52.037 0.140 0.000 0.691 126 A CB 0.978 20.108 19.000 0.217 0.000 1.291 126 A HN 1.354 nan 8.150 nan 0.000 0.404 127 H N 2.261 121.309 119.070 -0.038 0.000 2.800 127 H HA 0.475 5.031 4.556 -0.000 0.000 0.291 127 H C -1.034 174.206 175.328 -0.147 0.000 1.076 127 H CA 0.317 56.323 56.048 -0.069 0.000 1.452 127 H CB 0.435 30.165 29.762 -0.053 0.000 1.461 127 H HN 0.483 nan 8.280 nan 0.000 0.488 128 L N 6.143 127.049 121.223 -0.529 0.000 3.186 128 L HA 0.280 4.620 4.340 -0.001 0.000 0.317 128 L C 1.624 178.242 176.870 -0.420 0.000 1.296 128 L CA -0.168 54.409 54.840 -0.439 0.000 0.870 128 L CB 0.490 42.376 42.059 -0.289 0.000 1.302 128 L HN 0.514 nan 8.230 nan 0.000 0.590 129 R N 0.565 120.673 120.500 -0.654 0.000 2.062 129 R HA 0.128 4.468 4.340 -0.001 0.000 0.218 129 R C 1.907 178.082 176.300 -0.209 0.000 1.161 129 R CA 0.937 56.817 56.100 -0.366 0.000 0.994 129 R CB -0.028 30.093 30.300 -0.298 0.000 0.888 129 R HN 0.391 nan 8.270 nan 0.000 0.442 130 G N 0.721 109.417 108.800 -0.173 0.000 3.155 130 G HA2 0.250 4.210 3.960 -0.001 0.000 0.213 130 G HA3 0.250 4.210 3.960 -0.001 0.000 0.213 130 G C 0.376 175.224 174.900 -0.087 0.000 1.196 130 G CA 0.425 45.483 45.100 -0.070 0.000 0.846 130 G HN 0.556 nan 8.290 nan 0.000 0.516 131 G N -1.373 107.345 108.800 -0.137 0.000 2.880 131 G HA2 -0.082 3.877 3.960 -0.001 0.000 0.617 131 G HA3 -0.082 3.877 3.960 -0.001 0.000 0.617 131 G C -0.423 174.393 174.900 -0.140 0.000 1.493 131 G CA -0.330 44.693 45.100 -0.127 0.000 0.916 131 G HN 0.859 nan 8.290 nan 0.000 0.553 132 V N 2.978 122.808 119.914 -0.140 0.000 2.293 132 V HA 0.285 4.405 4.120 -0.001 0.000 0.275 132 V C 1.402 177.483 176.094 -0.022 0.000 1.021 132 V CA -0.529 61.703 62.300 -0.114 0.000 0.815 132 V CB 1.181 32.887 31.823 -0.195 0.000 1.025 132 V HN 0.776 nan 8.190 nan 0.000 0.448 133 K N 3.022 123.416 120.400 -0.010 0.000 2.001 133 K HA -0.012 4.308 4.320 -0.001 0.000 0.214 133 K C 0.578 177.194 176.600 0.026 0.000 1.050 133 K CA 1.755 58.045 56.287 0.006 0.000 0.934 133 K CB 0.011 32.514 32.500 0.006 0.000 0.718 133 K HN 0.718 nan 8.250 nan 0.000 0.443 134 M N -2.023 117.601 119.600 0.040 0.000 2.342 134 M HA 0.386 4.865 4.480 -0.001 0.000 0.276 134 M C -1.115 175.221 176.300 0.060 0.000 1.054 134 M CA 0.218 55.547 55.300 0.049 0.000 0.930 134 M CB 1.524 34.144 32.600 0.033 0.000 1.929 134 M HN 0.364 nan 8.290 nan 0.000 0.492 135 G N 2.910 111.754 108.800 0.073 0.000 2.359 135 G HA2 0.115 4.075 3.960 -0.001 0.000 0.303 135 G HA3 0.115 4.075 3.960 -0.001 0.000 0.303 135 G C -2.233 172.726 174.900 0.098 0.000 1.293 135 G CA -0.797 44.348 45.100 0.075 0.000 0.964 135 G HN 0.707 nan 8.290 nan 0.000 0.531 136 D N 0.061 120.506 120.400 0.076 0.000 2.264 136 D HA 0.670 5.309 4.640 -0.001 0.000 0.249 136 D C 0.082 176.466 176.300 0.140 0.000 1.070 136 D CA 0.456 54.482 54.000 0.043 0.000 0.912 136 D CB 1.459 42.255 40.800 -0.006 0.000 1.193 136 D HN 0.546 nan 8.370 nan 0.000 0.427 137 F N -1.656 118.306 119.950 0.020 0.000 2.640 137 F HA 0.611 5.138 4.527 0.000 0.000 0.324 137 F C -0.590 175.229 175.800 0.031 0.000 1.077 137 F CA -1.244 56.772 58.000 0.027 0.000 0.965 137 F CB 1.332 40.348 39.000 0.028 0.000 1.351 137 F HN -0.116 nan 8.300 nan 0.000 0.487 138 K N 1.854 122.412 120.400 0.264 0.000 2.182 138 K HA 0.465 4.785 4.320 -0.001 0.000 0.262 138 K C -0.889 175.858 176.600 0.245 0.000 0.957 138 K CA -0.949 55.412 56.287 0.124 0.000 0.842 138 K CB 1.584 34.160 32.500 0.126 0.000 1.099 138 K HN 0.536 nan 8.250 nan 0.000 0.438 139 M N 3.725 123.399 119.600 0.123 0.000 2.084 139 M HA 0.230 4.710 4.480 -0.001 0.000 0.351 139 M C -0.492 175.939 176.300 0.219 0.000 1.240 139 M CA -0.856 54.563 55.300 0.198 0.000 1.083 139 M CB 0.328 33.006 32.600 0.131 0.000 1.593 139 M HN 0.427 nan 8.290 nan 0.000 0.463 140 I N 3.308 123.998 120.570 0.201 0.000 2.441 140 I HA 0.037 4.207 4.170 -0.001 0.000 0.287 140 I C 0.760 176.929 176.117 0.087 0.000 1.049 140 I CA -0.047 61.341 61.300 0.146 0.000 1.381 140 I CB 0.350 38.407 38.000 0.095 0.000 1.409 140 I HN 0.443 nan 8.210 nan 0.000 0.523 141 D N 4.696 125.105 120.400 0.015 0.000 2.344 141 D HA -0.027 4.613 4.640 -0.001 0.000 0.253 141 D C 1.324 177.518 176.300 -0.177 0.000 1.255 141 D CA 0.148 53.953 54.000 -0.324 0.000 0.894 141 D CB 0.934 41.634 40.800 -0.166 0.000 1.067 141 D HN 0.725 nan 8.370 nan 0.000 0.492 142 T N 1.239 115.687 114.554 -0.177 0.000 3.007 142 T HA -0.172 4.177 4.350 -0.001 0.000 0.270 142 T C 1.871 176.530 174.700 -0.068 0.000 1.107 142 T CA 0.573 62.626 62.100 -0.078 0.000 1.118 142 T CB -0.157 68.686 68.868 -0.042 0.000 0.889 142 T HN 0.482 nan 8.240 nan 0.000 0.506 143 M N 0.021 119.569 119.600 -0.086 0.000 2.156 143 M HA 0.099 4.579 4.480 -0.001 0.000 0.264 143 M C 1.962 178.220 176.300 -0.070 0.000 1.067 143 M CA 1.581 56.847 55.300 -0.057 0.000 1.131 143 M CB -0.139 32.443 32.600 -0.031 0.000 1.368 143 M HN 0.259 nan 8.290 nan 0.000 0.416 144 I N -0.174 120.358 120.570 -0.062 0.000 2.480 144 I HA -0.176 3.993 4.170 -0.001 0.000 0.251 144 I C 2.265 178.350 176.117 -0.055 0.000 1.124 144 I CA 0.717 61.983 61.300 -0.056 0.000 1.444 144 I CB -0.428 37.576 38.000 0.008 0.000 1.098 144 I HN 0.266 nan 8.210 nan 0.000 0.428 145 K N 1.664 122.042 120.400 -0.036 0.000 1.973 145 K HA -0.190 4.130 4.320 -0.001 0.000 0.212 145 K C 1.526 178.103 176.600 -0.039 0.000 1.047 145 K CA 1.935 58.206 56.287 -0.027 0.000 0.937 145 K CB -0.312 32.178 32.500 -0.016 0.000 0.721 145 K HN 0.169 nan 8.250 nan 0.000 0.440 146 D N -1.432 118.945 120.400 -0.037 0.000 2.348 146 D HA 0.047 4.687 4.640 -0.001 0.000 0.211 146 D C 1.481 177.762 176.300 -0.031 0.000 0.998 146 D CA 1.016 54.998 54.000 -0.031 0.000 0.873 146 D CB 0.464 41.250 40.800 -0.022 0.000 0.925 146 D HN 0.464 nan 8.370 nan 0.000 0.524 147 G N 0.195 108.966 108.800 -0.049 0.000 2.662 147 G HA2 0.071 4.031 3.960 -0.001 0.000 0.207 147 G HA3 0.071 4.031 3.960 -0.001 0.000 0.207 147 G C 1.443 176.295 174.900 -0.079 0.000 1.154 147 G CA -0.078 44.988 45.100 -0.057 0.000 0.837 147 G HN 0.158 nan 8.290 nan 0.000 0.580 148 L N 0.770 121.907 121.223 -0.142 0.000 2.731 148 L HA 0.250 4.590 4.340 -0.001 0.000 0.240 148 L C 0.333 177.064 176.870 -0.232 0.000 1.120 148 L CA 0.204 54.888 54.840 -0.260 0.000 0.913 148 L CB 0.915 42.635 42.059 -0.566 0.000 1.213 148 L HN -0.034 nan 8.230 nan 0.000 0.515 149 T N 0.418 114.900 114.554 -0.120 0.000 3.151 149 T HA 0.066 4.416 4.350 -0.001 0.000 0.332 149 T C -0.219 174.474 174.700 -0.011 0.000 1.245 149 T CA -0.324 61.749 62.100 -0.046 0.000 1.019 149 T CB 0.239 69.096 68.868 -0.019 0.000 1.109 149 T HN 0.048 nan 8.240 nan 0.000 0.621 150 D N 3.059 123.474 120.400 0.026 0.000 2.433 150 D HA 0.129 4.769 4.640 -0.001 0.000 0.274 150 D C 0.738 177.078 176.300 0.067 0.000 1.344 150 D CA -0.126 53.948 54.000 0.124 0.000 0.989 150 D CB 0.243 41.134 40.800 0.153 0.000 1.116 150 D HN 0.542 nan 8.370 nan 0.000 0.533 151 A N 4.143 126.909 122.820 -0.090 0.000 3.029 151 A HA 0.215 4.535 4.320 -0.001 0.000 0.251 151 A C -0.074 177.114 177.584 -0.660 0.000 1.749 151 A CA -0.245 51.600 52.037 -0.319 0.000 1.386 151 A CB -0.723 18.065 19.000 -0.353 0.000 1.043 151 A HN 0.680 nan 8.150 nan 0.000 0.638 152 F N -2.855 117.016 119.950 -0.132 0.000 2.912 152 F HA 0.251 4.777 4.527 -0.000 0.000 0.357 152 F C 1.055 176.465 175.800 -0.650 0.000 1.003 152 F CA 0.185 58.001 58.000 -0.306 0.000 1.132 152 F CB 0.436 39.303 39.000 -0.221 0.000 1.055 152 F HN 0.396 nan 8.300 nan 0.000 0.572 153 Y N -1.364 118.920 120.300 -0.027 0.000 2.820 153 Y HA 0.533 5.082 4.550 -0.001 0.000 0.261 153 Y C 1.900 177.759 175.900 -0.069 0.000 1.123 153 Y CA 0.462 58.502 58.100 -0.099 0.000 1.217 153 Y CB 0.691 38.982 38.460 -0.282 0.000 1.432 153 Y HN -0.098 nan 8.280 nan 0.000 0.461 154 G N -0.909 107.908 108.800 0.028 0.000 3.382 154 G HA2 -0.129 3.831 3.960 -0.001 0.000 0.214 154 G HA3 -0.129 3.831 3.960 -0.001 0.000 0.214 154 G C -0.417 174.577 174.900 0.157 0.000 1.025 154 G CA -0.167 44.995 45.100 0.103 0.000 0.869 154 G HN 0.235 nan 8.290 nan 0.000 0.458 155 Y N 1.218 121.605 120.300 0.145 0.000 2.376 155 Y HA 0.826 5.375 4.550 -0.001 0.000 0.325 155 Y C 0.718 176.713 175.900 0.159 0.000 1.199 155 Y CA -1.567 56.619 58.100 0.144 0.000 1.206 155 Y CB 0.440 38.972 38.460 0.120 0.000 1.229 155 Y HN 0.206 nan 8.280 nan 0.000 0.480 156 H N 3.344 122.566 119.070 0.254 0.000 3.058 156 H HA -0.050 4.506 4.556 -0.001 0.000 0.347 156 H C 1.157 176.510 175.328 0.042 0.000 1.087 156 H CA 0.506 56.653 56.048 0.166 0.000 1.375 156 H CB 0.892 30.828 29.762 0.290 0.000 1.312 156 H HN 0.949 nan 8.280 nan 0.000 0.607 157 M N 3.483 123.262 119.600 0.299 0.000 2.108 157 M HA -0.172 4.307 4.480 -0.001 0.000 0.257 157 M C 2.417 178.635 176.300 -0.137 0.000 1.071 157 M CA 1.702 57.113 55.300 0.186 0.000 1.093 157 M CB -1.572 31.191 32.600 0.271 0.000 1.345 157 M HN 0.824 nan 8.290 nan 0.000 0.403 158 G N -0.216 108.248 108.800 -0.560 0.000 2.606 158 G HA2 -0.272 3.688 3.960 -0.001 0.000 0.223 158 G HA3 -0.272 3.688 3.960 -0.001 0.000 0.223 158 G C 1.421 175.693 174.900 -1.047 0.000 1.106 158 G CA 1.915 45.874 45.100 -1.901 0.000 0.745 158 G HN 0.504 nan 8.290 nan 0.000 0.597 159 T N 0.200 114.491 114.554 -0.439 0.000 3.037 159 T HA 0.016 4.365 4.350 -0.001 0.000 0.251 159 T C 2.653 177.300 174.700 -0.088 0.000 1.079 159 T CA 1.339 63.332 62.100 -0.179 0.000 1.067 159 T CB -0.081 68.708 68.868 -0.132 0.000 0.948 159 T HN 0.552 nan 8.240 nan 0.000 0.496 160 T N 0.777 115.277 114.554 -0.090 0.000 2.915 160 T HA 0.077 4.427 4.350 -0.001 0.000 0.269 160 T C 2.244 176.776 174.700 -0.280 0.000 1.071 160 T CA 0.892 62.912 62.100 -0.133 0.000 1.132 160 T CB -0.405 68.394 68.868 -0.116 0.000 0.878 160 T HN 0.301 nan 8.240 nan 0.000 0.479 161 A N 2.092 124.550 122.820 -0.603 0.000 1.873 161 A HA -0.074 4.246 4.320 -0.001 0.000 0.215 161 A C 2.467 179.825 177.584 -0.378 0.000 1.186 161 A CA 1.310 52.914 52.037 -0.721 0.000 0.616 161 A CB -0.589 17.397 19.000 -1.689 0.000 0.823 161 A HN 0.458 nan 8.150 nan 0.000 0.442 162 E N 0.399 120.404 120.200 -0.325 0.000 2.097 162 E HA -0.236 4.114 4.350 -0.001 0.000 0.196 162 E C 1.715 178.257 176.600 -0.096 0.000 1.000 162 E CA 1.606 57.909 56.400 -0.161 0.000 0.804 162 E CB -0.510 29.112 29.700 -0.131 0.000 0.740 162 E HN 0.595 nan 8.360 nan 0.000 0.454 163 N N 0.107 118.752 118.700 -0.092 0.000 2.348 163 N HA -0.125 4.615 4.740 -0.001 0.000 0.185 163 N C 1.752 177.269 175.510 0.011 0.000 1.019 163 N CA 0.670 53.696 53.050 -0.040 0.000 0.880 163 N CB -0.108 38.353 38.487 -0.043 0.000 0.965 163 N HN -0.000 nan 8.380 nan 0.000 0.437 164 V N 0.176 120.085 119.914 -0.008 0.000 2.374 164 V HA 0.024 4.144 4.120 -0.001 0.000 0.241 164 V C 2.246 178.450 176.094 0.184 0.000 1.034 164 V CA 1.300 63.647 62.300 0.078 0.000 1.037 164 V CB -1.008 30.757 31.823 -0.096 0.000 0.682 164 V HN 0.259 nan 8.190 nan 0.000 0.463 165 A N 0.424 123.278 122.820 0.055 0.000 1.896 165 A HA -0.384 3.935 4.320 -0.001 0.000 0.220 165 A C 2.193 179.853 177.584 0.127 0.000 1.206 165 A CA 2.797 54.889 52.037 0.091 0.000 0.647 165 A CB -0.721 18.290 19.000 0.018 0.000 0.828 165 A HN 0.561 nan 8.150 nan 0.000 0.455 166 K N -1.077 119.366 120.400 0.072 0.000 2.052 166 K HA -0.288 4.032 4.320 -0.001 0.000 0.215 166 K C 2.349 178.980 176.600 0.052 0.000 1.053 166 K CA 2.303 58.617 56.287 0.046 0.000 0.934 166 K CB -0.266 32.242 32.500 0.014 0.000 0.717 166 K HN 0.685 nan 8.250 nan 0.000 0.450 167 Q N -1.462 118.390 119.800 0.087 0.000 2.245 167 Q HA -0.101 4.239 4.340 -0.001 0.000 0.201 167 Q C 1.148 177.041 176.000 -0.179 0.000 0.955 167 Q CA 0.982 56.755 55.803 -0.049 0.000 0.870 167 Q CB 0.181 28.873 28.738 -0.077 0.000 0.945 167 Q HN 0.425 nan 8.270 nan 0.000 0.461 168 W N 0.285 121.575 121.300 -0.017 0.000 3.278 168 W HA 0.177 4.837 4.660 -0.001 0.000 0.308 168 W C 0.079 176.598 176.519 -0.000 0.000 1.253 168 W CA -0.239 57.102 57.345 -0.007 0.000 1.759 168 W CB 0.355 29.813 29.460 -0.003 0.000 1.093 168 W HN 0.087 nan 8.180 nan 0.000 0.648 169 Q N -0.192 119.694 119.800 0.142 0.000 2.450 169 Q HA -0.239 4.101 4.340 -0.001 0.000 0.255 169 Q C -0.122 175.936 176.000 0.097 0.000 1.003 169 Q CA 0.611 56.463 55.803 0.082 0.000 1.097 169 Q CB -2.285 26.476 28.738 0.038 0.000 1.544 169 Q HN 0.325 nan 8.270 nan 0.000 0.531 170 L N 1.862 123.163 121.223 0.130 0.000 2.699 170 L HA 0.070 4.409 4.340 -0.001 0.000 0.283 170 L C 0.962 177.880 176.870 0.080 0.000 1.166 170 L CA -0.014 54.895 54.840 0.114 0.000 1.043 170 L CB -0.430 41.698 42.059 0.115 0.000 1.369 170 L HN 0.181 nan 8.230 nan 0.000 0.462 171 S N 1.288 117.031 115.700 0.072 0.000 2.559 171 S HA -0.020 4.450 4.470 -0.001 0.000 0.282 171 S C 1.269 175.903 174.600 0.057 0.000 1.336 171 S CA -0.578 57.655 58.200 0.055 0.000 1.037 171 S CB 1.043 64.273 63.200 0.049 0.000 0.853 171 S HN 0.677 nan 8.310 nan 0.000 0.523 172 R N 1.181 121.709 120.500 0.046 0.000 2.139 172 R HA -0.162 4.178 4.340 -0.001 0.000 0.243 172 R C 1.499 177.832 176.300 0.055 0.000 1.145 172 R CA 2.176 58.304 56.100 0.047 0.000 0.976 172 R CB -1.054 29.267 30.300 0.035 0.000 0.866 172 R HN 0.855 nan 8.270 nan 0.000 0.449 173 D N -0.373 120.059 120.400 0.053 0.000 2.183 173 D HA -0.127 4.513 4.640 -0.001 0.000 0.203 173 D C 1.481 177.824 176.300 0.073 0.000 0.969 173 D CA 0.958 54.991 54.000 0.056 0.000 0.842 173 D CB 0.109 40.936 40.800 0.045 0.000 0.957 173 D HN 0.514 nan 8.370 nan 0.000 0.484 174 E N 0.427 120.677 120.200 0.084 0.000 2.076 174 E HA -0.133 4.217 4.350 -0.001 0.000 0.190 174 E C 1.964 178.656 176.600 0.153 0.000 0.979 174 E CA 0.567 57.034 56.400 0.112 0.000 0.807 174 E CB 0.204 29.971 29.700 0.112 0.000 0.761 174 E HN 0.251 nan 8.360 nan 0.000 0.454 175 Q N 0.296 120.169 119.800 0.122 0.000 2.124 175 Q HA -0.177 4.162 4.340 -0.001 0.000 0.202 175 Q C 1.689 177.771 176.000 0.136 0.000 0.977 175 Q CA 1.441 57.313 55.803 0.116 0.000 0.850 175 Q CB 0.033 28.814 28.738 0.071 0.000 0.901 175 Q HN 0.317 nan 8.270 nan 0.000 0.429 176 D N 0.471 120.938 120.400 0.111 0.000 2.085 176 D HA -0.085 4.554 4.640 -0.001 0.000 0.199 176 D C 1.868 178.243 176.300 0.126 0.000 0.981 176 D CA 1.328 55.391 54.000 0.104 0.000 0.834 176 D CB -0.302 40.541 40.800 0.071 0.000 0.992 176 D HN 0.206 nan 8.370 nan 0.000 0.457 177 A N 0.571 123.458 122.820 0.112 0.000 1.986 177 A HA -0.227 4.092 4.320 -0.001 0.000 0.220 177 A C 2.081 179.737 177.584 0.120 0.000 1.171 177 A CA 1.133 53.226 52.037 0.094 0.000 0.640 177 A CB -0.999 18.043 19.000 0.069 0.000 0.811 177 A HN 0.220 nan 8.150 nan 0.000 0.451 178 F N 0.783 120.757 119.950 0.039 0.000 2.046 178 F HA -0.129 4.398 4.527 -0.000 0.000 0.297 178 F C 2.619 178.441 175.800 0.037 0.000 1.123 178 F CA 1.321 59.345 58.000 0.040 0.000 1.199 178 F CB -0.798 38.230 39.000 0.047 0.000 0.972 178 F HN 0.268 nan 8.300 nan 0.000 0.474 179 A N 0.037 123.098 122.820 0.402 0.000 1.851 179 A HA -0.185 4.135 4.320 -0.001 0.000 0.216 179 A C 2.343 180.016 177.584 0.148 0.000 1.195 179 A CA 2.532 54.733 52.037 0.273 0.000 0.622 179 A CB -1.503 17.601 19.000 0.174 0.000 0.831 179 A HN 0.291 nan 8.150 nan 0.000 0.444 180 V N 0.069 120.042 119.914 0.099 0.000 2.226 180 V HA -0.394 3.725 4.120 -0.001 0.000 0.254 180 V C 3.036 179.144 176.094 0.023 0.000 1.065 180 V CA 2.642 64.972 62.300 0.050 0.000 1.039 180 V CB -1.683 30.162 31.823 0.037 0.000 0.653 180 V HN 0.696 nan 8.190 nan 0.000 0.450 181 A N -0.652 122.165 122.820 -0.004 0.000 1.859 181 A HA -0.314 4.005 4.320 -0.001 0.000 0.217 181 A C 2.567 180.122 177.584 -0.049 0.000 1.198 181 A CA 2.895 54.896 52.037 -0.061 0.000 0.629 181 A CB -1.108 17.802 19.000 -0.150 0.000 0.830 181 A HN 0.533 nan 8.150 nan 0.000 0.446 182 S N -1.188 114.498 115.700 -0.022 0.000 2.359 182 S HA -0.216 4.254 4.470 -0.001 0.000 0.224 182 S C 2.200 176.836 174.600 0.059 0.000 1.035 182 S CA 1.655 59.877 58.200 0.037 0.000 1.018 182 S CB -0.432 62.876 63.200 0.181 0.000 0.876 182 S HN 0.590 nan 8.310 nan 0.000 0.448 183 Q N 0.803 120.643 119.800 0.067 0.000 2.170 183 Q HA -0.091 4.249 4.340 -0.001 0.000 0.203 183 Q C 1.973 177.979 176.000 0.010 0.000 0.976 183 Q CA 1.369 57.201 55.803 0.048 0.000 0.858 183 Q CB -0.635 28.128 28.738 0.043 0.000 0.907 183 Q HN 0.708 nan 8.270 nan 0.000 0.433 184 N N 0.437 119.135 118.700 -0.004 0.000 2.080 184 N HA -0.124 4.616 4.740 -0.001 0.000 0.189 184 N C 1.772 177.267 175.510 -0.025 0.000 1.036 184 N CA 0.791 53.825 53.050 -0.027 0.000 0.846 184 N CB 0.034 38.504 38.487 -0.029 0.000 1.015 184 N HN 0.133 nan 8.380 nan 0.000 0.423 185 K N 0.855 121.245 120.400 -0.016 0.000 2.063 185 K HA -0.131 4.189 4.320 -0.001 0.000 0.208 185 K C 2.164 178.778 176.600 0.023 0.000 1.048 185 K CA 1.250 57.530 56.287 -0.013 0.000 0.928 185 K CB -0.195 32.292 32.500 -0.022 0.000 0.713 185 K HN 0.179 nan 8.250 nan 0.000 0.442 186 A N 1.553 124.418 122.820 0.076 0.000 1.855 186 A HA -0.195 4.125 4.320 -0.001 0.000 0.215 186 A C 2.120 179.809 177.584 0.175 0.000 1.191 186 A CA 1.364 53.513 52.037 0.186 0.000 0.613 186 A CB -0.423 18.687 19.000 0.183 0.000 0.829 186 A HN 0.285 nan 8.150 nan 0.000 0.442 187 E N -0.030 120.203 120.200 0.055 0.000 2.077 187 E HA -0.154 4.196 4.350 -0.001 0.000 0.193 187 E C 2.265 178.825 176.600 -0.066 0.000 0.989 187 E CA 1.032 57.409 56.400 -0.039 0.000 0.800 187 E CB -0.236 29.331 29.700 -0.222 0.000 0.746 187 E HN 0.498 nan 8.360 nan 0.000 0.452 188 A N 1.660 124.439 122.820 -0.068 0.000 1.849 188 A HA -0.223 4.096 4.320 -0.001 0.000 0.217 188 A C 2.490 180.007 177.584 -0.111 0.000 1.202 188 A CA 2.599 54.588 52.037 -0.080 0.000 0.629 188 A CB -1.153 17.806 19.000 -0.068 0.000 0.834 188 A HN 0.390 nan 8.150 nan 0.000 0.447 189 A N -1.007 121.726 122.820 -0.145 0.000 1.896 189 A HA -0.359 3.960 4.320 -0.001 0.000 0.220 189 A C 2.267 179.571 177.584 -0.466 0.000 1.206 189 A CA 2.438 54.272 52.037 -0.339 0.000 0.647 189 A CB -0.870 17.857 19.000 -0.455 0.000 0.828 189 A HN 0.712 nan 8.150 nan 0.000 0.455 190 Q N -0.765 118.843 119.800 -0.319 0.000 2.050 190 Q HA -0.219 4.121 4.340 -0.001 0.000 0.202 190 Q C 2.028 177.992 176.000 -0.059 0.000 0.980 190 Q CA 1.731 57.466 55.803 -0.114 0.000 0.840 190 Q CB -0.145 28.774 28.738 0.302 0.000 0.898 190 Q HN 0.628 nan 8.270 nan 0.000 0.424 191 K N 0.668 121.044 120.400 -0.041 0.000 2.009 191 K HA -0.161 4.158 4.320 -0.001 0.000 0.210 191 K C 1.523 178.098 176.600 -0.043 0.000 1.049 191 K CA 1.497 57.772 56.287 -0.019 0.000 0.929 191 K CB -0.326 32.156 32.500 -0.030 0.000 0.714 191 K HN 0.337 nan 8.250 nan 0.000 0.440 192 D N -0.535 119.816 120.400 -0.082 0.000 2.403 192 D HA -0.044 4.595 4.640 -0.001 0.000 0.227 192 D C 1.216 177.463 176.300 -0.089 0.000 0.995 192 D CA 1.135 55.086 54.000 -0.082 0.000 0.928 192 D CB 0.056 40.798 40.800 -0.097 0.000 0.887 192 D HN 0.525 nan 8.370 nan 0.000 0.529 193 G N 0.803 109.543 108.800 -0.102 0.000 2.176 193 G HA2 -0.369 3.591 3.960 -0.001 0.000 0.232 193 G HA3 -0.369 3.591 3.960 -0.001 0.000 0.232 193 G C 1.211 176.036 174.900 -0.124 0.000 0.986 193 G CA 0.152 45.207 45.100 -0.075 0.000 0.643 193 G HN 0.333 nan 8.290 nan 0.000 0.522 194 R N -0.713 119.635 120.500 -0.252 0.000 2.211 194 R HA -0.016 4.324 4.340 -0.001 0.000 0.240 194 R C 1.612 177.746 176.300 -0.277 0.000 1.144 194 R CA 1.531 57.451 56.100 -0.300 0.000 0.992 194 R CB -0.338 29.716 30.300 -0.409 0.000 0.869 194 R HN 0.474 nan 8.270 nan 0.000 0.462 195 F N 0.307 120.242 119.950 -0.025 0.000 2.765 195 F HA 0.104 4.630 4.527 -0.000 0.000 0.302 195 F C 2.062 177.813 175.800 -0.081 0.000 1.111 195 F CA 0.071 58.039 58.000 -0.055 0.000 1.359 195 F CB -0.182 38.800 39.000 -0.031 0.000 1.097 195 F HN -0.116 nan 8.300 nan 0.000 0.577 196 K N 0.596 121.032 120.400 0.061 0.000 2.148 196 K HA -0.160 4.160 4.320 -0.001 0.000 0.204 196 K C 1.470 178.049 176.600 -0.035 0.000 1.050 196 K CA 1.534 57.833 56.287 0.021 0.000 0.942 196 K CB -0.070 32.439 32.500 0.015 0.000 0.724 196 K HN 0.041 nan 8.250 nan 0.000 0.446 197 D N 1.277 121.638 120.400 -0.065 0.000 2.095 197 D HA -0.205 4.434 4.640 -0.001 0.000 0.192 197 D C 1.918 177.911 176.300 -0.512 0.000 0.990 197 D CA 1.897 55.806 54.000 -0.151 0.000 0.836 197 D CB -0.291 40.505 40.800 -0.007 0.000 0.979 197 D HN 0.478 nan 8.370 nan 0.000 0.447 198 E N 0.711 120.468 120.200 -0.737 0.000 2.058 198 E HA -0.152 4.197 4.350 -0.001 0.000 0.194 198 E C 1.129 177.481 176.600 -0.413 0.000 0.997 198 E CA 0.557 56.374 56.400 -0.971 0.000 0.801 198 E CB -0.400 28.974 29.700 -0.542 0.000 0.746 198 E HN 0.287 nan 8.360 nan 0.000 0.450 199 I N 1.488 121.945 120.570 -0.188 0.000 2.938 199 I HA 0.012 4.181 4.170 -0.001 0.000 0.285 199 I C -0.016 176.069 176.117 -0.054 0.000 1.182 199 I CA -0.163 61.089 61.300 -0.080 0.000 1.388 199 I CB 1.199 39.194 38.000 -0.009 0.000 1.390 199 I HN -0.016 nan 8.210 nan 0.000 0.600 200 V N 7.024 126.936 119.914 -0.004 0.000 2.488 200 V HA 0.393 4.513 4.120 -0.001 0.000 0.293 200 V C -2.315 173.827 176.094 0.080 0.000 1.027 200 V CA -1.919 60.398 62.300 0.027 0.000 0.862 200 V CB 1.703 33.540 31.823 0.024 0.000 1.008 200 V HN 0.524 nan 8.190 nan 0.000 0.428 201 P HA 0.031 nan 4.420 nan 0.000 0.264 201 P C -1.186 176.218 177.300 0.174 0.000 1.173 201 P CA 0.637 63.805 63.100 0.114 0.000 0.761 201 P CB 0.067 31.804 31.700 0.061 0.000 0.794 202 F N 3.577 123.568 119.950 0.068 0.000 2.538 202 F HA 0.534 5.061 4.527 -0.001 0.000 0.325 202 F C -0.819 175.024 175.800 0.070 0.000 1.066 202 F CA -1.137 56.888 58.000 0.043 0.000 0.946 202 F CB 1.109 40.114 39.000 0.008 0.000 1.199 202 F HN 0.041 nan 8.300 nan 0.000 0.473 203 I N 5.709 125.712 120.570 -0.945 0.000 2.330 203 I HA 0.236 4.405 4.170 -0.001 0.000 0.289 203 I C -0.552 175.148 176.117 -0.694 0.000 1.001 203 I CA -0.914 60.020 61.300 -0.609 0.000 1.193 203 I CB 0.927 38.656 38.000 -0.452 0.000 1.345 203 I HN 0.244 nan 8.210 nan 0.000 0.461 204 V N 7.598 127.465 119.914 -0.079 0.000 2.356 204 V HA 0.135 4.255 4.120 -0.001 0.000 0.258 204 V C 1.114 177.213 176.094 0.008 0.000 1.065 204 V CA -0.727 61.644 62.300 0.119 0.000 0.935 204 V CB -0.066 31.916 31.823 0.264 0.000 1.061 204 V HN 0.507 nan 8.190 nan 0.000 0.484 205 K N 4.840 125.221 120.400 -0.031 0.000 2.199 205 K HA 0.154 4.474 4.320 -0.001 0.000 0.226 205 K C 0.948 177.548 176.600 0.001 0.000 1.237 205 K CA -0.015 56.252 56.287 -0.034 0.000 1.170 205 K CB 0.355 32.825 32.500 -0.049 0.000 1.418 205 K HN 0.820 nan 8.250 nan 0.000 0.255 206 G N 1.505 110.310 108.800 0.008 0.000 2.712 206 G HA2 -0.059 3.901 3.960 -0.001 0.000 0.258 206 G HA3 -0.059 3.901 3.960 -0.001 0.000 0.258 206 G C 1.004 175.906 174.900 0.004 0.000 1.241 206 G CA -0.442 44.665 45.100 0.013 0.000 0.923 206 G HN 0.392 nan 8.290 nan 0.000 0.548 207 R N 0.036 120.539 120.500 0.005 0.000 2.048 207 R HA 0.063 4.403 4.340 -0.001 0.000 0.221 207 R C 1.503 177.802 176.300 -0.001 0.000 1.174 207 R CA 0.698 56.799 56.100 0.002 0.000 0.971 207 R CB -0.926 29.376 30.300 0.003 0.000 0.863 207 R HN 0.423 nan 8.270 nan 0.000 0.439 208 K N 1.345 121.745 120.400 -0.000 0.000 3.277 208 K HA 0.208 4.528 4.320 -0.001 0.000 0.291 208 K C -0.184 176.415 176.600 -0.003 0.000 0.994 208 K CA 0.361 56.647 56.287 -0.002 0.000 1.147 208 K CB -0.171 32.328 32.500 -0.001 0.000 1.185 208 K HN 0.548 nan 8.250 nan 0.000 0.422 209 G N 0.771 109.568 108.800 -0.004 0.000 2.362 209 G HA2 -0.109 3.851 3.960 -0.001 0.000 0.656 209 G HA3 -0.109 3.851 3.960 -0.001 0.000 0.656 209 G C -1.789 173.107 174.900 -0.007 0.000 1.376 209 G CA -1.232 43.864 45.100 -0.006 0.000 0.971 209 G HN 0.163 nan 8.290 nan 0.000 0.636 210 D N -0.445 119.947 120.400 -0.013 0.000 2.294 210 D HA 0.727 5.367 4.640 -0.001 0.000 0.250 210 D C 0.418 176.712 176.300 -0.010 0.000 1.058 210 D CA -0.090 53.898 54.000 -0.020 0.000 0.950 210 D CB 1.597 42.374 40.800 -0.038 0.000 1.158 210 D HN 0.464 nan 8.370 nan 0.000 0.453 211 I N 0.848 121.416 120.570 -0.003 0.000 2.466 211 I HA 0.158 4.328 4.170 -0.001 0.000 0.289 211 I C -0.516 175.620 176.117 0.031 0.000 1.026 211 I CA -0.554 60.757 61.300 0.018 0.000 1.078 211 I CB 1.989 40.011 38.000 0.037 0.000 1.249 211 I HN 0.166 nan 8.210 nan 0.000 0.429 212 T N 5.896 120.467 114.554 0.028 0.000 2.749 212 T HA 0.408 4.758 4.350 -0.001 0.000 0.295 212 T C -0.139 174.614 174.700 0.088 0.000 0.936 212 T CA -0.358 61.769 62.100 0.045 0.000 1.060 212 T CB 1.097 69.978 68.868 0.022 0.000 0.904 212 T HN 0.219 nan 8.240 nan 0.000 0.500 213 V N 3.988 124.007 119.914 0.174 0.000 2.487 213 V HA 0.531 4.651 4.120 -0.001 0.000 0.298 213 V C -0.130 176.082 176.094 0.197 0.000 1.028 213 V CA -0.866 61.540 62.300 0.177 0.000 0.860 213 V CB 1.665 33.633 31.823 0.240 0.000 0.991 213 V HN 1.052 nan 8.190 nan 0.000 0.427 214 D N 2.241 122.706 120.400 0.110 0.000 2.742 214 D HA 0.274 4.913 4.640 -0.001 0.000 0.302 214 D C -0.142 176.195 176.300 0.063 0.000 1.588 214 D CA 0.308 54.366 54.000 0.096 0.000 0.873 214 D CB 0.184 41.033 40.800 0.082 0.000 1.418 214 D HN 0.681 nan 8.370 nan 0.000 0.420 215 A N 0.307 123.152 122.820 0.040 0.000 2.331 215 A HA 0.523 4.843 4.320 -0.001 0.000 0.320 215 A C -0.604 176.977 177.584 -0.005 0.000 1.138 215 A CA -0.726 51.331 52.037 0.034 0.000 0.790 215 A CB 0.974 19.995 19.000 0.034 0.000 1.206 215 A HN 0.076 nan 8.150 nan 0.000 0.470 216 D N 2.862 123.255 120.400 -0.011 0.000 2.383 216 D HA 0.017 4.657 4.640 -0.001 0.000 0.245 216 D C 1.206 177.513 176.300 0.012 0.000 1.263 216 D CA 0.276 54.252 54.000 -0.040 0.000 0.936 216 D CB 0.864 41.591 40.800 -0.122 0.000 1.053 216 D HN 0.840 nan 8.370 nan 0.000 0.507 217 E N 1.743 121.937 120.200 -0.010 0.000 2.333 217 E HA -0.266 4.084 4.350 -0.001 0.000 0.198 217 E C 1.178 177.823 176.600 0.075 0.000 1.007 217 E CA 0.732 57.137 56.400 0.008 0.000 0.845 217 E CB -0.148 29.524 29.700 -0.047 0.000 0.766 217 E HN 0.481 nan 8.360 nan 0.000 0.507 218 Y N 1.738 122.019 120.300 -0.032 0.000 2.373 218 Y HA 0.094 4.644 4.550 -0.001 0.000 0.293 218 Y C 0.860 176.772 175.900 0.021 0.000 1.129 218 Y CA 0.203 58.300 58.100 -0.006 0.000 1.226 218 Y CB 0.222 38.674 38.460 -0.014 0.000 1.000 218 Y HN -0.070 nan 8.280 nan 0.000 0.549 219 I N 4.335 124.973 120.570 0.113 0.000 2.671 219 I HA -0.067 4.103 4.170 -0.001 0.000 0.285 219 I C 0.417 176.587 176.117 0.088 0.000 1.148 219 I CA 0.357 61.711 61.300 0.089 0.000 1.386 219 I CB 0.020 38.099 38.000 0.131 0.000 1.406 219 I HN 0.188 nan 8.210 nan 0.000 0.540 220 R N 4.940 125.459 120.500 0.032 0.000 2.531 220 R HA 0.566 4.906 4.340 -0.001 0.000 0.260 220 R C -0.786 175.646 176.300 0.220 0.000 1.144 220 R CA -0.814 55.338 56.100 0.086 0.000 1.171 220 R CB 0.593 30.877 30.300 -0.027 0.000 1.199 220 R HN 0.434 nan 8.270 nan 0.000 0.594 221 H N -2.065 116.993 119.070 -0.021 0.000 2.710 221 H HA 0.349 4.905 4.556 -0.000 0.000 0.361 221 H C 0.360 175.685 175.328 -0.006 0.000 1.175 221 H CA 0.012 56.056 56.048 -0.006 0.000 1.206 221 H CB 1.811 31.570 29.762 -0.004 0.000 1.750 221 H HN 0.916 nan 8.280 nan 0.000 0.553 222 G N 0.640 109.473 108.800 0.055 0.000 2.321 222 G HA2 -0.233 3.727 3.960 -0.001 0.000 0.287 222 G HA3 -0.233 3.727 3.960 -0.001 0.000 0.287 222 G C 0.470 175.380 174.900 0.017 0.000 1.018 222 G CA 0.371 45.490 45.100 0.031 0.000 0.855 222 G HN 0.916 nan 8.290 nan 0.000 0.507 223 A N 0.450 123.273 122.820 0.005 0.000 3.132 223 A HA 0.422 4.741 4.320 -0.001 0.000 0.288 223 A C 1.182 178.773 177.584 0.012 0.000 1.959 223 A CA 1.578 53.621 52.037 0.010 0.000 1.374 223 A CB -0.472 18.532 19.000 0.007 0.000 0.918 223 A HN 1.584 nan 8.150 nan 0.000 0.594 224 T N 1.464 116.027 114.554 0.014 0.000 2.817 224 T HA 0.301 4.650 4.350 -0.001 0.000 0.293 224 T C 1.203 175.913 174.700 0.017 0.000 0.964 224 T CA -0.379 61.728 62.100 0.013 0.000 1.085 224 T CB 0.328 69.203 68.868 0.012 0.000 0.921 224 T HN 0.557 nan 8.240 nan 0.000 0.502 225 L N 4.208 125.442 121.223 0.018 0.000 2.197 225 L HA -0.083 4.257 4.340 -0.001 0.000 0.215 225 L C 2.014 178.897 176.870 0.021 0.000 1.095 225 L CA 2.205 57.059 54.840 0.023 0.000 0.764 225 L CB -0.450 41.622 42.059 0.022 0.000 0.897 225 L HN 0.833 nan 8.230 nan 0.000 0.436 226 D N -1.043 119.367 120.400 0.016 0.000 2.095 226 D HA -0.203 4.437 4.640 -0.001 0.000 0.192 226 D C 2.322 178.629 176.300 0.013 0.000 0.990 226 D CA 1.859 55.867 54.000 0.013 0.000 0.836 226 D CB -0.167 40.639 40.800 0.011 0.000 0.979 226 D HN 0.529 nan 8.370 nan 0.000 0.447 227 S N -0.312 115.395 115.700 0.012 0.000 2.383 227 S HA -0.274 4.196 4.470 -0.001 0.000 0.229 227 S C 2.051 176.659 174.600 0.013 0.000 1.030 227 S CA 1.435 59.641 58.200 0.010 0.000 1.002 227 S CB -0.572 62.632 63.200 0.007 0.000 0.829 227 S HN 0.271 nan 8.310 nan 0.000 0.467 228 M N 2.734 122.345 119.600 0.019 0.000 2.108 228 M HA -0.057 4.423 4.480 -0.001 0.000 0.257 228 M C 2.012 178.328 176.300 0.027 0.000 1.071 228 M CA 1.821 57.137 55.300 0.027 0.000 1.093 228 M CB -0.707 31.915 32.600 0.037 0.000 1.345 228 M HN 0.415 nan 8.290 nan 0.000 0.403 229 A N -1.723 121.112 122.820 0.024 0.000 2.251 229 A HA 0.033 4.353 4.320 -0.001 0.000 0.209 229 A C 1.875 179.469 177.584 0.016 0.000 1.187 229 A CA 0.714 52.765 52.037 0.023 0.000 0.823 229 A CB -0.406 18.608 19.000 0.023 0.000 0.846 229 A HN 0.554 nan 8.150 nan 0.000 0.486 230 K N -0.732 119.675 120.400 0.011 0.000 2.334 230 K HA 0.309 4.629 4.320 -0.001 0.000 0.195 230 K C 0.115 176.716 176.600 0.002 0.000 1.045 230 K CA -0.172 56.118 56.287 0.006 0.000 1.004 230 K CB 0.106 32.609 32.500 0.004 0.000 0.837 230 K HN 0.359 nan 8.250 nan 0.000 0.510 231 L N 3.209 124.433 121.223 0.002 0.000 2.660 231 L HA -0.066 4.274 4.340 -0.001 0.000 0.272 231 L C 0.044 176.910 176.870 -0.007 0.000 1.194 231 L CA 0.219 55.056 54.840 -0.005 0.000 0.945 231 L CB 0.091 42.148 42.059 -0.003 0.000 1.212 231 L HN 0.145 nan 8.230 nan 0.000 0.490 232 R N 5.072 125.562 120.500 -0.016 0.000 2.774 232 R HA 0.170 4.510 4.340 -0.001 0.000 0.269 232 R C -2.159 174.125 176.300 -0.028 0.000 1.068 232 R CA -1.158 54.931 56.100 -0.018 0.000 1.180 232 R CB -0.225 30.062 30.300 -0.021 0.000 1.077 232 R HN 0.388 nan 8.270 nan 0.000 0.513 233 P HA -0.041 nan 4.420 nan 0.000 0.260 233 P C -0.401 176.858 177.300 -0.067 0.000 1.207 233 P CA 0.405 63.492 63.100 -0.021 0.000 0.780 233 P CB 0.744 32.438 31.700 -0.009 0.000 0.789 234 A N 3.893 126.642 122.820 -0.119 0.000 1.834 234 A HA -0.204 4.115 4.320 -0.001 0.000 0.216 234 A C 1.566 178.924 177.584 -0.377 0.000 1.203 234 A CA 1.598 53.440 52.037 -0.325 0.000 0.621 234 A CB -1.515 17.155 19.000 -0.549 0.000 0.841 234 A HN 0.410 nan 8.150 nan 0.000 0.446 235 F N -0.024 119.880 119.950 -0.077 0.000 2.074 235 F HA 0.047 4.574 4.527 -0.000 0.000 0.293 235 F C 1.029 176.771 175.800 -0.096 0.000 1.116 235 F CA 0.985 58.924 58.000 -0.102 0.000 1.212 235 F CB -0.319 38.602 39.000 -0.132 0.000 0.998 235 F HN 0.103 nan 8.300 nan 0.000 0.471 236 D N 0.679 121.128 120.400 0.081 0.000 2.316 236 D HA 0.093 4.733 4.640 -0.001 0.000 0.245 236 D C 0.778 177.066 176.300 -0.019 0.000 1.171 236 D CA -0.045 53.952 54.000 -0.005 0.000 0.856 236 D CB 1.364 42.146 40.800 -0.030 0.000 1.090 236 D HN -0.145 nan 8.370 nan 0.000 0.476 237 K N 1.761 122.144 120.400 -0.029 0.000 2.362 237 K HA -0.166 4.154 4.320 -0.001 0.000 0.202 237 K C 0.604 177.190 176.600 -0.023 0.000 1.045 237 K CA 0.901 57.172 56.287 -0.028 0.000 0.936 237 K CB -0.012 32.473 32.500 -0.026 0.000 0.747 237 K HN 0.596 nan 8.250 nan 0.000 0.467 238 E N -1.266 118.920 120.200 -0.025 0.000 3.896 238 E HA 0.360 4.709 4.350 -0.001 0.000 0.217 238 E C 0.341 176.929 176.600 -0.019 0.000 1.150 238 E CA -0.567 55.821 56.400 -0.020 0.000 1.338 238 E CB 0.625 30.313 29.700 -0.020 0.000 1.242 238 E HN 0.079 nan 8.360 nan 0.000 0.435 239 G N -0.263 108.530 108.800 -0.013 0.000 3.039 239 G HA2 0.401 4.360 3.960 -0.001 0.000 0.159 239 G HA3 0.401 4.360 3.960 -0.001 0.000 0.159 239 G C 0.189 175.092 174.900 0.006 0.000 1.284 239 G CA 0.132 45.229 45.100 -0.005 0.000 0.996 239 G HN 0.133 nan 8.290 nan 0.000 0.592 240 T N -1.650 112.916 114.554 0.020 0.000 3.526 240 T HA 0.109 4.459 4.350 -0.001 0.000 0.292 240 T C -0.618 174.111 174.700 0.049 0.000 0.872 240 T CA -0.011 62.106 62.100 0.028 0.000 0.843 240 T CB 0.014 68.895 68.868 0.022 0.000 1.227 240 T HN 0.290 nan 8.240 nan 0.000 0.776 241 V N 4.245 124.204 119.914 0.075 0.000 2.368 241 V HA 0.546 4.666 4.120 -0.001 0.000 0.266 241 V C 0.772 176.983 176.094 0.196 0.000 1.045 241 V CA -0.231 62.155 62.300 0.144 0.000 0.899 241 V CB 0.609 32.515 31.823 0.139 0.000 1.006 241 V HN 0.609 nan 8.190 nan 0.000 0.470 242 T N 2.107 116.744 114.554 0.138 0.000 2.952 242 T HA 0.648 4.998 4.350 -0.001 0.000 0.286 242 T C 1.360 176.114 174.700 0.090 0.000 1.024 242 T CA -0.018 62.121 62.100 0.066 0.000 1.029 242 T CB 1.969 70.854 68.868 0.028 0.000 1.094 242 T HN 0.599 nan 8.240 nan 0.000 0.515 243 A N 0.885 123.709 122.820 0.006 0.000 1.986 243 A HA 0.099 4.418 4.320 -0.001 0.000 0.220 243 A C 2.238 179.868 177.584 0.078 0.000 1.171 243 A CA 1.951 54.004 52.037 0.026 0.000 0.640 243 A CB -1.514 17.470 19.000 -0.026 0.000 0.811 243 A HN 1.171 nan 8.150 nan 0.000 0.451 244 G N -0.587 108.249 108.800 0.060 0.000 2.939 244 G HA2 0.075 4.035 3.960 -0.001 0.000 0.210 244 G HA3 0.075 4.035 3.960 -0.001 0.000 0.210 244 G C 0.698 175.647 174.900 0.082 0.000 1.160 244 G CA 0.810 45.945 45.100 0.059 0.000 0.770 244 G HN 0.784 nan 8.290 nan 0.000 0.543 245 N N -0.643 118.116 118.700 0.098 0.000 2.238 245 N HA 0.470 5.210 4.740 -0.001 0.000 0.235 245 N C 0.078 175.666 175.510 0.129 0.000 1.209 245 N CA 0.053 53.162 53.050 0.098 0.000 0.879 245 N CB 0.828 39.370 38.487 0.093 0.000 1.136 245 N HN 0.128 nan 8.380 nan 0.000 0.517 246 A N 0.363 123.280 122.820 0.162 0.000 2.343 246 A HA 0.654 4.973 4.320 -0.001 0.000 0.316 246 A C -0.022 177.541 177.584 -0.036 0.000 1.104 246 A CA -0.725 51.374 52.037 0.105 0.000 0.768 246 A CB 0.797 20.098 19.000 0.501 0.000 1.213 246 A HN 0.370 nan 8.150 nan 0.000 0.456 247 S N 1.972 117.525 115.700 -0.245 0.000 2.549 247 S HA 0.461 4.931 4.470 -0.001 0.000 0.286 247 S C 0.729 175.276 174.600 -0.087 0.000 1.314 247 S CA 0.053 58.174 58.200 -0.132 0.000 1.062 247 S CB 0.773 63.847 63.200 -0.211 0.000 0.865 247 S HN 1.350 nan 8.310 nan 0.000 0.498 248 G N 1.683 110.482 108.800 -0.001 0.000 2.543 248 G HA2 0.549 4.508 3.960 -0.001 0.000 0.267 248 G HA3 0.549 4.508 3.960 -0.001 0.000 0.267 248 G C -0.511 174.277 174.900 -0.186 0.000 1.406 248 G CA -1.321 43.781 45.100 0.003 0.000 1.048 248 G HN 0.765 nan 8.290 nan 0.000 0.548 249 L N 0.263 121.358 121.223 -0.214 0.000 2.289 249 L HA 0.475 4.815 4.340 -0.001 0.000 0.285 249 L C -0.349 176.402 176.870 -0.198 0.000 1.049 249 L CA -0.550 54.079 54.840 -0.352 0.000 0.804 249 L CB 1.300 42.813 42.059 -0.910 0.000 1.195 249 L HN 0.393 nan 8.230 nan 0.000 0.428 250 N N 0.510 119.122 118.700 -0.148 0.000 2.525 250 N HA 0.493 5.232 4.740 -0.001 0.000 0.270 250 N C -1.819 173.700 175.510 0.014 0.000 1.321 250 N CA -0.850 52.150 53.050 -0.084 0.000 0.797 250 N CB 1.910 40.237 38.487 -0.267 0.000 1.529 250 N HN 0.443 nan 8.380 nan 0.000 0.491 251 D N -0.305 120.134 120.400 0.064 0.000 2.278 251 D HA 0.725 5.364 4.640 -0.001 0.000 0.245 251 D C -0.462 175.895 176.300 0.094 0.000 1.052 251 D CA -0.215 53.845 54.000 0.100 0.000 0.834 251 D CB 1.751 42.679 40.800 0.214 0.000 1.194 251 D HN 0.624 nan 8.370 nan 0.000 0.481 252 G N -0.278 108.524 108.800 0.003 0.000 2.658 252 G HA2 0.595 4.555 3.960 -0.001 0.000 0.301 252 G HA3 0.595 4.555 3.960 -0.001 0.000 0.301 252 G C -1.539 173.299 174.900 -0.104 0.000 1.481 252 G CA -0.669 44.410 45.100 -0.034 0.000 0.931 252 G HN 0.532 nan 8.290 nan 0.000 0.573 253 A N 0.171 122.904 122.820 -0.146 0.000 2.320 253 A HA 1.105 5.425 4.320 -0.001 0.000 0.334 253 A C 0.224 177.748 177.584 -0.100 0.000 1.147 253 A CA 0.027 51.982 52.037 -0.138 0.000 0.820 253 A CB 1.716 20.608 19.000 -0.180 0.000 1.218 253 A HN 2.534 nan 8.150 nan 0.000 0.482 254 A N -0.179 122.591 122.820 -0.083 0.000 2.594 254 A HA 0.917 5.237 4.320 -0.001 0.000 0.296 254 A C -0.612 176.943 177.584 -0.048 0.000 1.061 254 A CA 0.147 52.151 52.037 -0.057 0.000 0.689 254 A CB 0.833 19.802 19.000 -0.051 0.000 1.280 254 A HN 2.693 nan 8.150 nan 0.000 0.406 255 A N -0.246 122.561 122.820 -0.021 0.000 2.601 255 A HA 1.036 5.356 4.320 -0.001 0.000 0.291 255 A C -0.701 176.890 177.584 0.013 0.000 1.075 255 A CA 0.027 52.050 52.037 -0.022 0.000 0.671 255 A CB 0.814 19.791 19.000 -0.039 0.000 1.277 255 A HN 2.674 nan 8.150 nan 0.000 0.417 256 A N 0.265 123.085 122.820 -0.000 0.000 2.422 256 A HA 0.710 5.029 4.320 -0.001 0.000 0.302 256 A C -1.020 176.562 177.584 -0.004 0.000 1.041 256 A CA -0.373 51.674 52.037 0.016 0.000 0.708 256 A CB 1.089 20.098 19.000 0.015 0.000 1.257 256 A HN 1.579 nan 8.150 nan 0.000 0.414 257 L N 2.981 124.208 121.223 0.006 0.000 2.349 257 L HA 0.540 4.880 4.340 -0.001 0.000 0.275 257 L C -1.113 175.753 176.870 -0.006 0.000 1.115 257 L CA -0.652 54.187 54.840 -0.002 0.000 0.820 257 L CB 0.621 42.684 42.059 0.007 0.000 1.135 257 L HN 0.554 nan 8.230 nan 0.000 0.445 258 L N 6.377 127.594 121.223 -0.010 0.000 2.381 258 L HA 0.662 5.002 4.340 -0.001 0.000 0.268 258 L C -0.241 176.628 176.870 -0.002 0.000 0.997 258 L CA -0.469 54.366 54.840 -0.008 0.000 0.818 258 L CB 1.336 43.386 42.059 -0.016 0.000 1.310 258 L HN 0.825 nan 8.230 nan 0.000 0.416 259 M N 0.565 120.165 119.600 0.001 0.000 2.732 259 M HA 0.504 4.984 4.480 -0.001 0.000 0.272 259 M C -0.501 175.803 176.300 0.006 0.000 1.203 259 M CA -0.600 54.703 55.300 0.004 0.000 0.841 259 M CB 2.301 34.904 32.600 0.005 0.000 1.685 259 M HN 0.513 nan 8.290 nan 0.000 0.492 260 S N 0.051 115.756 115.700 0.008 0.000 2.566 260 S HA 0.057 4.526 4.470 -0.001 0.000 0.280 260 S C 0.676 175.282 174.600 0.009 0.000 1.343 260 S CA 0.588 58.794 58.200 0.010 0.000 1.036 260 S CB 1.046 64.252 63.200 0.010 0.000 0.866 260 S HN 0.963 nan 8.310 nan 0.000 0.526 261 E N 2.014 122.221 120.200 0.011 0.000 2.085 261 E HA -0.169 4.180 4.350 -0.001 0.000 0.194 261 E C 2.164 178.770 176.600 0.010 0.000 0.994 261 E CA 1.318 57.725 56.400 0.011 0.000 0.801 261 E CB -0.626 29.083 29.700 0.015 0.000 0.743 261 E HN 0.865 nan 8.360 nan 0.000 0.453 262 A N 0.775 123.601 122.820 0.010 0.000 1.902 262 A HA -0.257 4.063 4.320 -0.001 0.000 0.217 262 A C 2.058 179.646 177.584 0.008 0.000 1.181 262 A CA 1.835 53.877 52.037 0.009 0.000 0.623 262 A CB -0.671 18.335 19.000 0.009 0.000 0.818 262 A HN 0.385 nan 8.150 nan 0.000 0.443 263 E N -0.013 120.191 120.200 0.008 0.000 2.085 263 E HA -0.135 4.214 4.350 -0.001 0.000 0.194 263 E C 2.055 178.659 176.600 0.006 0.000 0.994 263 E CA 1.584 57.988 56.400 0.007 0.000 0.801 263 E CB -0.357 29.347 29.700 0.007 0.000 0.743 263 E HN 0.524 nan 8.360 nan 0.000 0.453 264 A N -0.074 122.749 122.820 0.006 0.000 1.877 264 A HA -0.204 4.116 4.320 -0.001 0.000 0.216 264 A C 2.420 180.007 177.584 0.004 0.000 1.186 264 A CA 1.959 53.998 52.037 0.004 0.000 0.620 264 A CB -1.040 17.961 19.000 0.003 0.000 0.822 264 A HN 0.326 nan 8.150 nan 0.000 0.443 265 S N -0.951 114.752 115.700 0.005 0.000 2.356 265 S HA -0.165 4.305 4.470 -0.001 0.000 0.223 265 S C 2.150 176.754 174.600 0.005 0.000 1.032 265 S CA 1.300 59.503 58.200 0.005 0.000 1.005 265 S CB -0.353 62.851 63.200 0.006 0.000 0.867 265 S HN 0.578 nan 8.310 nan 0.000 0.449 266 R N 0.280 120.784 120.500 0.006 0.000 2.154 266 R HA -0.059 4.280 4.340 -0.001 0.000 0.248 266 R C 2.049 178.352 176.300 0.006 0.000 1.155 266 R CA 1.544 57.648 56.100 0.006 0.000 0.979 266 R CB -0.192 30.112 30.300 0.006 0.000 0.869 266 R HN 0.368 nan 8.270 nan 0.000 0.452 267 R N -0.797 119.706 120.500 0.006 0.000 2.334 267 R HA 0.105 4.444 4.340 -0.001 0.000 0.216 267 R C 0.773 177.077 176.300 0.006 0.000 0.905 267 R CA 0.459 56.562 56.100 0.006 0.000 1.064 267 R CB 0.772 31.076 30.300 0.006 0.000 1.046 267 R HN 0.316 nan 8.270 nan 0.000 0.508 268 G N 2.113 110.916 108.800 0.005 0.000 2.283 268 G HA2 -0.278 3.682 3.960 -0.001 0.000 0.280 268 G HA3 -0.278 3.682 3.960 -0.001 0.000 0.280 268 G C 0.025 174.928 174.900 0.004 0.000 1.029 268 G CA 0.190 45.293 45.100 0.005 0.000 0.840 268 G HN 0.281 nan 8.290 nan 0.000 0.505 269 I N -0.111 120.461 120.570 0.003 0.000 2.339 269 I HA 0.237 4.407 4.170 -0.001 0.000 0.290 269 I C 0.389 176.504 176.117 -0.002 0.000 0.994 269 I CA -0.824 60.477 61.300 0.002 0.000 1.191 269 I CB 1.681 39.683 38.000 0.004 0.000 1.343 269 I HN -0.095 nan 8.210 nan 0.000 0.458 270 Q N 8.136 127.932 119.800 -0.005 0.000 2.452 270 Q HA 0.250 4.590 4.340 -0.001 0.000 0.230 270 Q C -2.140 173.845 176.000 -0.025 0.000 1.180 270 Q CA -1.736 54.059 55.803 -0.012 0.000 0.914 270 Q CB 0.256 28.987 28.738 -0.011 0.000 1.408 270 Q HN 0.341 nan 8.270 nan 0.000 0.520 271 P HA -0.026 nan 4.420 nan 0.000 0.269 271 P C 0.752 178.016 177.300 -0.060 0.000 1.215 271 P CA -0.414 62.665 63.100 -0.034 0.000 0.780 271 P CB 1.077 32.766 31.700 -0.018 0.000 0.898 272 L N 0.123 121.291 121.223 -0.092 0.000 2.217 272 L HA 0.146 4.485 4.340 -0.001 0.000 0.211 272 L C 1.467 178.289 176.870 -0.080 0.000 1.107 272 L CA 1.882 56.640 54.840 -0.137 0.000 0.783 272 L CB -1.591 40.333 42.059 -0.225 0.000 0.919 272 L HN 0.755 nan 8.230 nan 0.000 0.442 273 G N -0.654 108.121 108.800 -0.042 0.000 2.324 273 G HA2 0.287 4.247 3.960 -0.001 0.000 0.293 273 G HA3 0.287 4.247 3.960 -0.001 0.000 0.293 273 G C -1.314 173.596 174.900 0.017 0.000 1.297 273 G CA -0.831 44.267 45.100 -0.003 0.000 0.853 273 G HN 0.070 nan 8.290 nan 0.000 0.535 274 R N -0.188 120.341 120.500 0.049 0.000 2.480 274 R HA 0.658 4.998 4.340 -0.001 0.000 0.306 274 R C -0.685 175.654 176.300 0.066 0.000 0.958 274 R CA -0.890 55.242 56.100 0.053 0.000 0.861 274 R CB 1.121 31.459 30.300 0.062 0.000 1.171 274 R HN 0.426 nan 8.270 nan 0.000 0.445 275 I N 6.440 127.037 120.570 0.046 0.000 2.389 275 I HA -0.006 4.164 4.170 -0.001 0.000 0.295 275 I C 1.449 177.589 176.117 0.038 0.000 1.117 275 I CA -0.182 61.148 61.300 0.049 0.000 1.317 275 I CB 1.407 39.430 38.000 0.038 0.000 1.431 275 I HN 0.647 nan 8.210 nan 0.000 0.521 276 V N 4.107 124.029 119.914 0.013 0.000 2.599 276 V HA 0.133 4.253 4.120 -0.001 0.000 0.245 276 V C 0.776 176.814 176.094 -0.094 0.000 1.046 276 V CA 1.411 63.666 62.300 -0.075 0.000 1.065 276 V CB 0.375 32.072 31.823 -0.210 0.000 0.703 276 V HN 0.785 nan 8.190 nan 0.000 0.464 277 S N -0.138 115.535 115.700 -0.044 0.000 2.567 277 S HA 0.586 5.056 4.470 -0.001 0.000 0.270 277 S C -1.275 173.411 174.600 0.143 0.000 1.152 277 S CA -0.284 57.910 58.200 -0.010 0.000 0.835 277 S CB 1.383 64.483 63.200 -0.165 0.000 1.115 277 S HN 1.271 nan 8.310 nan 0.000 0.459 278 W N 0.819 122.093 121.300 -0.043 0.000 3.018 278 W HA 0.854 5.514 4.660 -0.001 0.000 0.352 278 W C -1.854 174.660 176.519 -0.009 0.000 1.230 278 W CA -0.914 56.422 57.345 -0.014 0.000 1.162 278 W CB 1.071 30.529 29.460 -0.004 0.000 1.483 278 W HN 1.528 nan 8.180 nan 0.000 0.584 279 A N 1.471 124.196 122.820 -0.159 0.000 2.555 279 A HA 0.571 4.891 4.320 -0.001 0.000 0.297 279 A C -1.644 175.891 177.584 -0.081 0.000 1.060 279 A CA -0.288 51.471 52.037 -0.463 0.000 0.710 279 A CB 1.499 20.356 19.000 -0.238 0.000 1.282 279 A HN 0.768 nan 8.150 nan 0.000 0.399 280 T N 1.032 115.492 114.554 -0.157 0.000 2.886 280 T HA 0.696 5.046 4.350 -0.001 0.000 0.292 280 T C -1.382 173.317 174.700 -0.002 0.000 1.012 280 T CA -0.277 61.874 62.100 0.085 0.000 0.982 280 T CB 1.073 70.118 68.868 0.295 0.000 1.018 280 T HN 1.286 nan 8.240 nan 0.000 0.451 281 V N 2.814 122.738 119.914 0.017 0.000 3.049 281 V HA 0.837 4.957 4.120 -0.001 0.000 0.309 281 V C 0.651 176.748 176.094 0.005 0.000 1.148 281 V CA -0.897 61.399 62.300 -0.007 0.000 0.990 281 V CB 2.295 34.105 31.823 -0.023 0.000 1.039 281 V HN 1.076 nan 8.190 nan 0.000 0.430 282 G N 0.738 109.535 108.800 -0.006 0.000 2.412 282 G HA2 0.756 4.715 3.960 -0.001 0.000 0.318 282 G HA3 0.756 4.715 3.960 -0.001 0.000 0.318 282 G C -0.735 174.156 174.900 -0.014 0.000 1.146 282 G CA -0.251 44.842 45.100 -0.012 0.000 0.882 282 G HN 1.341 nan 8.290 nan 0.000 0.501 283 V N -1.087 118.816 119.914 -0.019 0.000 3.159 283 V HA 0.595 4.715 4.120 -0.001 0.000 0.308 283 V C -0.547 175.534 176.094 -0.022 0.000 1.190 283 V CA -1.265 61.028 62.300 -0.013 0.000 1.037 283 V CB 1.956 33.777 31.823 -0.004 0.000 1.060 283 V HN 0.678 nan 8.190 nan 0.000 0.437 284 D N 3.039 123.433 120.400 -0.011 0.000 2.570 284 D HA 0.082 4.722 4.640 -0.001 0.000 0.243 284 D C -1.534 174.750 176.300 -0.027 0.000 1.171 284 D CA -0.511 53.482 54.000 -0.012 0.000 0.879 284 D CB 1.704 42.505 40.800 0.002 0.000 1.143 284 D HN 0.459 nan 8.370 nan 0.000 0.511 285 P HA -0.195 nan 4.420 nan 0.000 0.216 285 P C 1.265 178.538 177.300 -0.046 0.000 1.153 285 P CA 1.575 64.636 63.100 -0.065 0.000 0.858 285 P CB 0.175 31.809 31.700 -0.110 0.000 0.789 286 K N -0.352 120.006 120.400 -0.070 0.000 2.034 286 K HA -0.110 4.210 4.320 -0.001 0.000 0.214 286 K C 1.003 177.531 176.600 -0.120 0.000 1.051 286 K CA 1.726 57.884 56.287 -0.215 0.000 0.931 286 K CB -1.107 31.218 32.500 -0.292 0.000 0.715 286 K HN 0.166 nan 8.250 nan 0.000 0.446 287 V N 0.818 120.693 119.914 -0.066 0.000 2.112 287 V HA 0.136 4.256 4.120 -0.001 0.000 0.271 287 V C 1.280 177.354 176.094 -0.034 0.000 1.465 287 V CA -0.400 61.877 62.300 -0.038 0.000 1.419 287 V CB -0.402 31.429 31.823 0.012 0.000 1.409 287 V HN 0.255 nan 8.190 nan 0.000 0.495 288 M N 1.475 121.050 119.600 -0.042 0.000 2.175 288 M HA 0.190 4.670 4.480 -0.001 0.000 0.264 288 M C 1.901 178.196 176.300 -0.009 0.000 1.063 288 M CA 2.244 57.531 55.300 -0.021 0.000 1.119 288 M CB -1.031 31.564 32.600 -0.008 0.000 1.377 288 M HN 0.383 nan 8.290 nan 0.000 0.415 289 G N 0.599 109.387 108.800 -0.021 0.000 2.499 289 G HA2 -0.252 3.708 3.960 -0.001 0.000 0.221 289 G HA3 -0.252 3.708 3.960 -0.001 0.000 0.221 289 G C 1.613 176.484 174.900 -0.048 0.000 1.109 289 G CA 1.485 46.572 45.100 -0.021 0.000 0.749 289 G HN 0.705 nan 8.290 nan 0.000 0.568 290 T N -1.601 112.918 114.554 -0.057 0.000 3.148 290 T HA 0.269 4.618 4.350 -0.001 0.000 0.253 290 T C 2.261 176.944 174.700 -0.028 0.000 1.134 290 T CA 1.072 63.129 62.100 -0.072 0.000 1.051 290 T CB 0.036 68.878 68.868 -0.043 0.000 0.959 290 T HN 0.176 nan 8.240 nan 0.000 0.525 291 G N 2.707 111.508 108.800 0.000 0.000 2.529 291 G HA2 -0.170 3.790 3.960 -0.001 0.000 0.219 291 G HA3 -0.170 3.790 3.960 -0.001 0.000 0.219 291 G C -0.521 174.397 174.900 0.031 0.000 1.177 291 G CA 0.846 45.959 45.100 0.022 0.000 0.773 291 G HN 0.482 nan 8.290 nan 0.000 0.573 292 P HA -0.064 nan 4.420 nan 0.000 0.220 292 P C 1.773 179.084 177.300 0.019 0.000 1.144 292 P CA 0.734 63.885 63.100 0.085 0.000 0.800 292 P CB -0.061 31.725 31.700 0.144 0.000 0.772 293 I N 0.316 120.860 120.570 -0.042 0.000 2.133 293 I HA -0.106 4.064 4.170 -0.001 0.000 0.238 293 I C -0.383 175.697 176.117 -0.062 0.000 1.074 293 I CA 1.692 62.934 61.300 -0.097 0.000 1.342 293 I CB -1.927 36.018 38.000 -0.092 0.000 1.053 293 I HN 0.044 nan 8.210 nan 0.000 0.404 294 P HA -0.013 nan 4.420 nan 0.000 0.221 294 P C 1.447 178.735 177.300 -0.021 0.000 1.155 294 P CA 1.437 64.523 63.100 -0.024 0.000 0.812 294 P CB 0.063 31.753 31.700 -0.016 0.000 0.801 295 A N 0.557 123.376 122.820 -0.001 0.000 1.851 295 A HA -0.188 4.132 4.320 -0.001 0.000 0.216 295 A C 2.532 180.127 177.584 0.018 0.000 1.195 295 A CA 2.396 54.439 52.037 0.010 0.000 0.622 295 A CB -1.709 17.323 19.000 0.052 0.000 0.831 295 A HN 0.135 nan 8.150 nan 0.000 0.444 296 S N -0.559 115.170 115.700 0.048 0.000 2.389 296 S HA -0.287 4.183 4.470 -0.001 0.000 0.229 296 S C 2.088 176.712 174.600 0.040 0.000 1.048 296 S CA 1.814 60.062 58.200 0.080 0.000 1.117 296 S CB -0.457 62.786 63.200 0.071 0.000 1.020 296 S HN 0.604 nan 8.310 nan 0.000 0.430 297 R N 0.902 121.399 120.500 -0.005 0.000 2.168 297 R HA -0.179 4.160 4.340 -0.001 0.000 0.242 297 R C 2.479 178.766 176.300 -0.021 0.000 1.123 297 R CA 1.584 57.677 56.100 -0.013 0.000 0.928 297 R CB -0.496 29.786 30.300 -0.030 0.000 0.873 297 R HN 0.262 nan 8.270 nan 0.000 0.434 298 K N 0.391 120.764 120.400 -0.045 0.000 2.001 298 K HA -0.163 4.156 4.320 -0.001 0.000 0.214 298 K C 2.147 178.688 176.600 -0.098 0.000 1.050 298 K CA 1.725 57.962 56.287 -0.084 0.000 0.934 298 K CB -0.468 31.963 32.500 -0.116 0.000 0.718 298 K HN 0.233 nan 8.250 nan 0.000 0.443 299 A N 1.510 124.284 122.820 -0.076 0.000 1.873 299 A HA -0.200 4.120 4.320 -0.001 0.000 0.218 299 A C 2.413 179.959 177.584 -0.064 0.000 1.193 299 A CA 1.769 53.767 52.037 -0.066 0.000 0.629 299 A CB -0.814 18.199 19.000 0.020 0.000 0.826 299 A HN 0.312 nan 8.150 nan 0.000 0.447 300 L N -0.938 120.289 121.223 0.007 0.000 2.046 300 L HA -0.220 4.119 4.340 -0.001 0.000 0.208 300 L C 2.751 179.608 176.870 -0.021 0.000 1.077 300 L CA 1.875 56.744 54.840 0.048 0.000 0.747 300 L CB -0.522 41.613 42.059 0.126 0.000 0.896 300 L HN 0.650 nan 8.230 nan 0.000 0.432 301 E N 0.563 120.742 120.200 -0.036 0.000 2.051 301 E HA -0.241 4.109 4.350 -0.001 0.000 0.192 301 E C 2.345 178.885 176.600 -0.099 0.000 0.991 301 E CA 1.181 57.550 56.400 -0.051 0.000 0.799 301 E CB 0.068 29.738 29.700 -0.050 0.000 0.748 301 E HN 0.392 nan 8.360 nan 0.000 0.449 302 R N -0.092 120.328 120.500 -0.133 0.000 2.096 302 R HA -0.072 4.268 4.340 -0.001 0.000 0.235 302 R C 2.347 178.511 176.300 -0.225 0.000 1.127 302 R CA 1.066 57.067 56.100 -0.164 0.000 0.968 302 R CB -0.240 29.949 30.300 -0.184 0.000 0.861 302 R HN 0.171 nan 8.270 nan 0.000 0.440 303 A N 0.013 122.639 122.820 -0.323 0.000 2.119 303 A HA 0.084 4.404 4.320 -0.001 0.000 0.217 303 A C 1.627 178.840 177.584 -0.618 0.000 1.153 303 A CA 1.112 52.773 52.037 -0.628 0.000 0.692 303 A CB -0.334 18.071 19.000 -0.992 0.000 0.799 303 A HN 0.481 nan 8.150 nan 0.000 0.458 304 G N -3.163 105.463 108.800 -0.290 0.000 2.148 304 G HA2 -0.232 3.728 3.960 -0.001 0.000 0.254 304 G HA3 -0.232 3.728 3.960 -0.001 0.000 0.254 304 G C -0.224 174.726 174.900 0.085 0.000 0.981 304 G CA 0.281 45.319 45.100 -0.103 0.000 0.670 304 G HN 0.403 nan 8.290 nan 0.000 0.528 305 W N 1.209 122.522 121.300 0.022 0.000 2.417 305 W HA 0.671 5.330 4.660 -0.001 0.000 0.317 305 W C 0.626 177.163 176.519 0.030 0.000 1.121 305 W CA -1.522 55.840 57.345 0.029 0.000 1.208 305 W CB 0.663 30.147 29.460 0.039 0.000 1.253 305 W HN 0.054 nan 8.180 nan 0.000 0.533 306 K N 1.916 122.463 120.400 0.245 0.000 2.090 306 K HA 0.272 4.591 4.320 -0.001 0.000 0.250 306 K C 1.109 177.807 176.600 0.163 0.000 1.004 306 K CA -0.873 55.507 56.287 0.155 0.000 0.919 306 K CB 1.300 33.860 32.500 0.100 0.000 1.045 306 K HN 0.111 nan 8.250 nan 0.000 0.471 307 I N 1.935 122.588 120.570 0.137 0.000 2.236 307 I HA -0.301 3.869 4.170 -0.001 0.000 0.249 307 I C 2.278 178.470 176.117 0.124 0.000 1.102 307 I CA 1.898 63.296 61.300 0.162 0.000 1.365 307 I CB -0.854 37.241 38.000 0.158 0.000 1.051 307 I HN 1.016 nan 8.210 nan 0.000 0.420 308 G N 0.667 109.516 108.800 0.082 0.000 2.599 308 G HA2 -0.331 3.629 3.960 -0.001 0.000 0.219 308 G HA3 -0.331 3.629 3.960 -0.001 0.000 0.219 308 G C 1.317 176.213 174.900 -0.007 0.000 1.193 308 G CA 1.460 46.584 45.100 0.040 0.000 0.778 308 G HN 0.432 nan 8.290 nan 0.000 0.589 309 D N 0.447 120.820 120.400 -0.045 0.000 2.354 309 D HA -0.038 4.601 4.640 -0.001 0.000 0.216 309 D C 1.166 177.310 176.300 -0.261 0.000 0.970 309 D CA 0.270 54.149 54.000 -0.202 0.000 0.905 309 D CB -0.100 40.476 40.800 -0.373 0.000 0.903 309 D HN 0.263 nan 8.370 nan 0.000 0.508 310 L N 1.911 123.069 121.223 -0.108 0.000 2.418 310 L HA 0.018 4.358 4.340 -0.001 0.000 0.274 310 L C 0.860 177.687 176.870 -0.072 0.000 1.135 310 L CA -0.073 54.725 54.840 -0.070 0.000 0.870 310 L CB 0.716 42.816 42.059 0.069 0.000 1.154 310 L HN -0.229 nan 8.230 nan 0.000 0.462 311 D N 3.180 123.520 120.400 -0.099 0.000 2.407 311 D HA 0.261 4.901 4.640 -0.001 0.000 0.208 311 D C -0.231 176.026 176.300 -0.071 0.000 1.083 311 D CA 0.320 54.272 54.000 -0.081 0.000 0.844 311 D CB 0.977 41.722 40.800 -0.091 0.000 0.967 311 D HN 0.134 nan 8.370 nan 0.000 0.506 312 L N 0.143 121.322 121.223 -0.073 0.000 2.545 312 L HA 0.427 4.766 4.340 -0.001 0.000 0.258 312 L C -1.581 175.230 176.870 -0.098 0.000 0.942 312 L CA -0.706 54.086 54.840 -0.079 0.000 0.855 312 L CB 2.577 44.604 42.059 -0.053 0.000 1.374 312 L HN -0.316 nan 8.230 nan 0.000 0.411 313 V N 2.439 122.257 119.914 -0.160 0.000 3.120 313 V HA 0.644 4.763 4.120 -0.001 0.000 0.303 313 V C -1.408 174.554 176.094 -0.220 0.000 1.238 313 V CA -0.712 61.446 62.300 -0.236 0.000 1.008 313 V CB 2.644 34.151 31.823 -0.525 0.000 1.064 313 V HN 0.661 nan 8.190 nan 0.000 0.434 314 E N 2.308 122.413 120.200 -0.157 0.000 2.241 314 E HA 0.745 5.095 4.350 -0.001 0.000 0.263 314 E C -0.767 175.813 176.600 -0.033 0.000 0.882 314 E CA -0.401 55.957 56.400 -0.071 0.000 0.769 314 E CB 2.223 31.922 29.700 -0.001 0.000 1.185 314 E HN 0.843 nan 8.360 nan 0.000 0.415 315 A N 2.864 125.690 122.820 0.011 0.000 2.343 315 A HA 0.293 4.612 4.320 -0.001 0.000 0.308 315 A C -0.525 177.169 177.584 0.182 0.000 1.092 315 A CA -0.716 51.395 52.037 0.124 0.000 0.751 315 A CB 0.520 19.635 19.000 0.193 0.000 1.203 315 A HN 0.760 nan 8.150 nan 0.000 0.452 316 H N 2.367 121.475 119.070 0.062 0.000 3.248 316 H HA -0.009 4.547 4.556 -0.001 0.000 0.258 316 H C -0.142 175.191 175.328 0.008 0.000 0.923 316 H CA 0.423 56.485 56.048 0.024 0.000 1.416 316 H CB 0.425 30.192 29.762 0.008 0.000 1.523 316 H HN 0.707 nan 8.280 nan 0.000 0.528 317 E N 4.854 125.091 120.200 0.061 0.000 2.676 317 E HA 0.015 4.365 4.350 -0.001 0.000 0.318 317 E C 1.241 177.614 176.600 -0.378 0.000 1.514 317 E CA -0.080 56.255 56.400 -0.109 0.000 1.667 317 E CB 0.243 29.978 29.700 0.058 0.000 1.336 317 E HN 0.709 nan 8.360 nan 0.000 0.492 318 A N 1.347 123.733 122.820 -0.723 0.000 1.859 318 A HA -0.151 4.169 4.320 -0.001 0.000 0.217 318 A C 0.562 177.625 177.584 -0.867 0.000 1.198 318 A CA 1.345 52.839 52.037 -0.905 0.000 0.629 318 A CB -0.020 18.501 19.000 -0.799 0.000 0.830 318 A HN 0.334 nan 8.150 nan 0.000 0.446 319 F N -4.473 115.302 119.950 -0.291 0.000 2.631 319 F HA 0.603 5.129 4.527 -0.001 0.000 0.328 319 F C 1.257 176.838 175.800 -0.365 0.000 1.067 319 F CA -0.404 57.452 58.000 -0.239 0.000 0.969 319 F CB 1.557 40.441 39.000 -0.193 0.000 1.332 319 F HN 0.085 nan 8.300 nan 0.000 0.490 320 A N 0.787 123.551 122.820 -0.094 0.000 1.933 320 A HA -0.015 4.305 4.320 -0.001 0.000 0.218 320 A C 2.112 179.576 177.584 -0.200 0.000 1.175 320 A CA 1.990 53.857 52.037 -0.283 0.000 0.628 320 A CB -1.239 17.718 19.000 -0.072 0.000 0.814 320 A HN 0.841 nan 8.150 nan 0.000 0.444 321 A N -0.186 122.596 122.820 -0.064 0.000 1.972 321 A HA -0.128 4.192 4.320 -0.001 0.000 0.219 321 A C 2.092 179.594 177.584 -0.136 0.000 1.169 321 A CA 1.980 53.964 52.037 -0.090 0.000 0.635 321 A CB -0.369 18.548 19.000 -0.138 0.000 0.810 321 A HN 0.738 nan 8.150 nan 0.000 0.446 322 Q N -1.565 118.166 119.800 -0.115 0.000 2.394 322 Q HA 0.512 4.851 4.340 -0.001 0.000 0.218 322 Q C 1.772 177.680 176.000 -0.154 0.000 0.907 322 Q CA 1.152 56.871 55.803 -0.140 0.000 0.919 322 Q CB -0.588 28.126 28.738 -0.040 0.000 1.051 322 Q HN 0.307 nan 8.270 nan 0.000 0.538 323 A N 0.547 123.259 122.820 -0.180 0.000 1.898 323 A HA -0.097 4.222 4.320 -0.001 0.000 0.216 323 A C 2.265 179.881 177.584 0.053 0.000 1.181 323 A CA 1.219 53.196 52.037 -0.100 0.000 0.620 323 A CB -1.181 17.654 19.000 -0.274 0.000 0.819 323 A HN 0.557 nan 8.150 nan 0.000 0.442 324 C N -1.096 118.200 119.300 -0.006 0.000 2.413 324 C HA 0.008 4.468 4.460 -0.001 0.000 0.277 324 C C 3.342 178.337 174.990 0.008 0.000 1.228 324 C CA 1.094 60.207 59.018 0.158 0.000 1.731 324 C CB -1.237 26.599 27.740 0.159 0.000 2.042 324 C HN 0.696 nan 8.230 nan 0.000 0.468 325 A N -0.245 122.444 122.820 -0.218 0.000 1.892 325 A HA -0.180 4.140 4.320 -0.001 0.000 0.218 325 A C 2.274 179.521 177.584 -0.562 0.000 1.188 325 A CA 2.453 54.112 52.037 -0.629 0.000 0.631 325 A CB -1.017 17.190 19.000 -1.322 0.000 0.822 325 A HN 0.408 nan 8.150 nan 0.000 0.447 326 V N 1.301 121.005 119.914 -0.350 0.000 2.278 326 V HA -0.334 3.786 4.120 -0.001 0.000 0.251 326 V C 2.199 178.215 176.094 -0.130 0.000 1.062 326 V CA 2.371 64.552 62.300 -0.198 0.000 1.038 326 V CB -0.964 30.857 31.823 -0.003 0.000 0.646 326 V HN 0.676 nan 8.190 nan 0.000 0.447 327 N N -0.293 118.474 118.700 0.113 0.000 2.396 327 N HA -0.121 4.619 4.740 -0.001 0.000 0.180 327 N C 1.739 177.285 175.510 0.060 0.000 1.028 327 N CA 0.894 54.092 53.050 0.247 0.000 0.893 327 N CB -0.240 38.549 38.487 0.503 0.000 0.967 327 N HN 0.441 nan 8.380 nan 0.000 0.440 328 K N 0.697 121.121 120.400 0.040 0.000 2.116 328 K HA -0.007 4.312 4.320 -0.001 0.000 0.203 328 K C 1.601 178.266 176.600 0.108 0.000 1.052 328 K CA 0.706 57.054 56.287 0.102 0.000 0.952 328 K CB 0.116 32.728 32.500 0.186 0.000 0.729 328 K HN 0.069 nan 8.250 nan 0.000 0.446 329 D N 0.237 120.652 120.400 0.025 0.000 2.113 329 D HA -0.091 4.548 4.640 -0.001 0.000 0.206 329 D C 1.842 178.091 176.300 -0.085 0.000 0.979 329 D CA 1.065 55.111 54.000 0.076 0.000 0.862 329 D CB 0.073 40.907 40.800 0.057 0.000 1.013 329 D HN 0.081 nan 8.370 nan 0.000 0.455 330 L N 0.188 121.235 121.223 -0.293 0.000 2.083 330 L HA -0.053 4.286 4.340 -0.001 0.000 0.209 330 L C 1.730 178.397 176.870 -0.338 0.000 1.083 330 L CA 1.105 55.682 54.840 -0.437 0.000 0.752 330 L CB -0.577 40.931 42.059 -0.918 0.000 0.899 330 L HN 0.354 nan 8.230 nan 0.000 0.433 331 G N -0.468 108.156 108.800 -0.294 0.000 2.198 331 G HA2 -0.248 3.712 3.960 -0.001 0.000 0.257 331 G HA3 -0.248 3.712 3.960 -0.001 0.000 0.257 331 G C -0.110 174.813 174.900 0.039 0.000 1.042 331 G CA 0.151 45.207 45.100 -0.074 0.000 0.791 331 G HN 0.375 nan 8.290 nan 0.000 0.502 332 W N 0.062 121.387 121.300 0.040 0.000 2.079 332 W HA 0.605 5.264 4.660 -0.001 0.000 0.354 332 W C 0.186 176.721 176.519 0.026 0.000 1.302 332 W CA -1.988 55.377 57.345 0.033 0.000 1.281 332 W CB 0.283 29.765 29.460 0.037 0.000 1.165 332 W HN 0.124 nan 8.180 nan 0.000 0.603 333 D N 1.717 122.291 120.400 0.291 0.000 2.317 333 D HA 0.152 4.792 4.640 -0.001 0.000 0.252 333 D C -1.435 174.917 176.300 0.087 0.000 1.174 333 D CA -2.119 51.971 54.000 0.150 0.000 0.866 333 D CB 1.525 42.373 40.800 0.081 0.000 1.127 333 D HN -0.023 nan 8.370 nan 0.000 0.467 334 P HA -0.150 nan 4.420 nan 0.000 0.216 334 P C 1.332 178.594 177.300 -0.064 0.000 1.150 334 P CA 1.169 64.269 63.100 -0.001 0.000 0.837 334 P CB -0.012 31.694 31.700 0.011 0.000 0.786 335 S N -0.224 115.452 115.700 -0.039 0.000 2.484 335 S HA -0.177 4.292 4.470 -0.001 0.000 0.250 335 S C 1.451 176.011 174.600 -0.067 0.000 0.995 335 S CA 1.445 59.615 58.200 -0.049 0.000 0.967 335 S CB -1.520 61.663 63.200 -0.029 0.000 0.752 335 S HN 0.414 nan 8.310 nan 0.000 0.517 336 I N -2.605 117.910 120.570 -0.091 0.000 3.947 336 I HA 0.536 4.705 4.170 -0.001 0.000 0.327 336 I C -0.763 175.248 176.117 -0.176 0.000 1.519 336 I CA -0.700 60.534 61.300 -0.110 0.000 1.122 336 I CB 1.095 39.039 38.000 -0.092 0.000 1.146 336 I HN -0.034 nan 8.210 nan 0.000 0.442 337 V N 2.300 122.090 119.914 -0.207 0.000 2.378 337 V HA 0.407 4.527 4.120 -0.001 0.000 0.288 337 V C -0.176 175.823 176.094 -0.159 0.000 1.016 337 V CA -0.557 61.577 62.300 -0.276 0.000 0.840 337 V CB 0.792 32.343 31.823 -0.454 0.000 0.994 337 V HN 0.545 nan 8.190 nan 0.000 0.431 338 N N 2.433 121.069 118.700 -0.107 0.000 2.735 338 N HA -0.164 4.576 4.740 -0.001 0.000 0.248 338 N C 0.890 176.386 175.510 -0.025 0.000 1.083 338 N CA 0.919 53.951 53.050 -0.029 0.000 0.703 338 N CB -1.328 37.168 38.487 0.015 0.000 1.005 338 N HN 0.440 nan 8.380 nan 0.000 0.550 339 V N -0.125 119.764 119.914 -0.041 0.000 2.278 339 V HA -0.294 3.825 4.120 -0.001 0.000 0.251 339 V C 1.653 177.738 176.094 -0.016 0.000 1.062 339 V CA 2.228 64.504 62.300 -0.041 0.000 1.038 339 V CB -0.168 31.627 31.823 -0.047 0.000 0.646 339 V HN 0.561 nan 8.190 nan 0.000 0.447 340 N N 0.071 118.784 118.700 0.022 0.000 2.322 340 N HA 0.303 5.042 4.740 -0.001 0.000 0.194 340 N C 0.512 176.133 175.510 0.185 0.000 1.126 340 N CA 0.985 54.069 53.050 0.057 0.000 0.845 340 N CB 0.711 39.221 38.487 0.040 0.000 0.976 340 N HN 0.611 nan 8.380 nan 0.000 0.475 341 G N -1.556 107.320 108.800 0.125 0.000 2.539 341 G HA2 0.251 4.211 3.960 -0.001 0.000 0.686 341 G HA3 0.251 4.211 3.960 -0.001 0.000 0.686 341 G C -0.364 174.616 174.900 0.132 0.000 1.258 341 G CA -0.625 44.559 45.100 0.140 0.000 0.846 341 G HN 0.389 nan 8.290 nan 0.000 0.647 342 G N -1.219 107.664 108.800 0.140 0.000 3.140 342 G HA2 0.855 4.815 3.960 -0.001 0.000 0.271 342 G HA3 0.855 4.815 3.960 -0.001 0.000 0.271 342 G C 1.256 176.234 174.900 0.130 0.000 1.370 342 G CA 0.992 46.181 45.100 0.148 0.000 1.014 342 G HN 2.009 nan 8.290 nan 0.000 0.541 343 A N -0.538 122.355 122.820 0.122 0.000 1.892 343 A HA -0.090 4.230 4.320 -0.001 0.000 0.218 343 A C 2.368 180.001 177.584 0.082 0.000 1.188 343 A CA 1.922 54.005 52.037 0.077 0.000 0.631 343 A CB -0.785 18.260 19.000 0.074 0.000 0.822 343 A HN 0.592 nan 8.150 nan 0.000 0.447 344 I N -0.635 119.997 120.570 0.103 0.000 2.143 344 I HA -0.395 3.774 4.170 -0.001 0.000 0.245 344 I C 2.793 179.061 176.117 0.252 0.000 1.068 344 I CA 1.716 63.109 61.300 0.155 0.000 1.326 344 I CB -0.365 37.732 38.000 0.162 0.000 1.028 344 I HN 0.424 nan 8.210 nan 0.000 0.412 345 A N 0.256 123.202 122.820 0.211 0.000 1.920 345 A HA 0.119 4.439 4.320 -0.001 0.000 0.209 345 A C 2.190 179.935 177.584 0.268 0.000 1.229 345 A CA 0.390 52.546 52.037 0.198 0.000 0.671 345 A CB -0.433 18.649 19.000 0.137 0.000 0.886 345 A HN 0.296 nan 8.150 nan 0.000 0.461 346 I N -0.643 120.027 120.570 0.166 0.000 2.252 346 I HA 0.172 4.341 4.170 -0.001 0.000 0.245 346 I C 1.418 177.555 176.117 0.034 0.000 1.102 346 I CA 1.167 62.500 61.300 0.056 0.000 1.385 346 I CB -0.423 37.542 38.000 -0.060 0.000 1.064 346 I HN 0.525 nan 8.210 nan 0.000 0.414 347 G N 0.760 109.510 108.800 -0.083 0.000 2.353 347 G HA2 -0.119 3.841 3.960 -0.001 0.000 0.615 347 G HA3 -0.119 3.841 3.960 -0.001 0.000 0.615 347 G C -1.467 173.254 174.900 -0.297 0.000 1.280 347 G CA -0.642 44.121 45.100 -0.562 0.000 1.000 347 G HN 0.197 nan 8.290 nan 0.000 0.516 348 N N 0.912 119.418 118.700 -0.323 0.000 2.410 348 N HA 0.782 5.521 4.740 -0.001 0.000 0.287 348 N C -3.223 172.200 175.510 -0.146 0.000 1.044 348 N CA -1.564 51.393 53.050 -0.156 0.000 0.881 348 N CB 3.172 41.602 38.487 -0.095 0.000 1.405 348 N HN 0.329 nan 8.380 nan 0.000 0.490 349 P HA 0.433 nan 4.420 nan 0.000 0.319 349 P C 0.916 178.157 177.300 -0.099 0.000 1.616 349 P CA -0.521 62.513 63.100 -0.111 0.000 1.271 349 P CB 2.152 33.794 31.700 -0.096 0.000 1.411 350 I N 1.642 122.162 120.570 -0.082 0.000 2.077 350 I HA -0.304 3.866 4.170 -0.001 0.000 0.231 350 I C 2.389 178.454 176.117 -0.088 0.000 1.011 350 I CA 2.502 63.758 61.300 -0.073 0.000 1.304 350 I CB -1.429 36.539 38.000 -0.053 0.000 1.019 350 I HN 0.462 nan 8.210 nan 0.000 0.388 351 G N -0.434 108.321 108.800 -0.074 0.000 2.501 351 G HA2 -0.011 3.949 3.960 -0.001 0.000 0.220 351 G HA3 -0.011 3.949 3.960 -0.001 0.000 0.220 351 G C 1.402 176.245 174.900 -0.095 0.000 1.114 351 G CA 0.957 46.010 45.100 -0.077 0.000 0.757 351 G HN 0.634 nan 8.290 nan 0.000 0.559 352 A N -0.942 121.816 122.820 -0.104 0.000 2.312 352 A HA 0.520 4.840 4.320 -0.001 0.000 0.215 352 A C 2.242 179.752 177.584 -0.123 0.000 1.256 352 A CA 1.151 53.123 52.037 -0.107 0.000 0.966 352 A CB -0.079 18.861 19.000 -0.099 0.000 1.053 352 A HN 0.140 nan 8.150 nan 0.000 0.510 353 S N 0.511 116.118 115.700 -0.155 0.000 2.393 353 S HA -0.238 4.231 4.470 -0.001 0.000 0.235 353 S C 2.079 176.558 174.600 -0.201 0.000 1.061 353 S CA 2.152 60.224 58.200 -0.214 0.000 1.129 353 S CB -0.647 62.328 63.200 -0.375 0.000 1.011 353 S HN 0.825 nan 8.310 nan 0.000 0.436 354 G N 0.534 109.215 108.800 -0.199 0.000 2.442 354 G HA2 -0.082 3.878 3.960 -0.001 0.000 0.219 354 G HA3 -0.082 3.878 3.960 -0.001 0.000 0.219 354 G C 1.496 176.348 174.900 -0.080 0.000 1.141 354 G CA 1.118 46.139 45.100 -0.132 0.000 0.763 354 G HN 0.640 nan 8.290 nan 0.000 0.554 355 A N 0.108 122.879 122.820 -0.083 0.000 1.929 355 A HA 0.129 4.449 4.320 -0.001 0.000 0.216 355 A C 2.366 179.927 177.584 -0.037 0.000 1.176 355 A CA 1.428 53.431 52.037 -0.058 0.000 0.628 355 A CB -0.345 18.613 19.000 -0.071 0.000 0.816 355 A HN 0.245 nan 8.150 nan 0.000 0.444 356 R N 0.533 120.999 120.500 -0.057 0.000 2.070 356 R HA -0.153 4.187 4.340 -0.001 0.000 0.233 356 R C 2.128 178.419 176.300 -0.015 0.000 1.137 356 R CA 2.025 58.096 56.100 -0.048 0.000 0.945 356 R CB -0.729 29.523 30.300 -0.080 0.000 0.845 356 R HN 0.725 nan 8.270 nan 0.000 0.430 357 I N -1.188 119.368 120.570 -0.023 0.000 2.567 357 I HA -0.201 3.968 4.170 -0.001 0.000 0.257 357 I C 2.256 178.396 176.117 0.039 0.000 1.184 357 I CA 1.115 62.422 61.300 0.012 0.000 1.451 357 I CB -0.290 37.711 38.000 0.001 0.000 1.089 357 I HN 0.088 nan 8.210 nan 0.000 0.441 358 L N 1.386 122.627 121.223 0.030 0.000 1.970 358 L HA -0.240 4.099 4.340 -0.001 0.000 0.212 358 L C 2.522 179.453 176.870 0.102 0.000 1.071 358 L CA 2.192 57.062 54.840 0.050 0.000 0.751 358 L CB -0.841 41.236 42.059 0.029 0.000 0.889 358 L HN 0.483 nan 8.230 nan 0.000 0.432 359 N N -0.829 117.951 118.700 0.133 0.000 2.021 359 N HA -0.216 4.524 4.740 -0.001 0.000 0.198 359 N C 1.528 177.253 175.510 0.359 0.000 1.041 359 N CA 2.432 55.647 53.050 0.274 0.000 0.862 359 N CB -0.354 38.234 38.487 0.168 0.000 1.048 359 N HN 0.414 nan 8.380 nan 0.000 0.427 360 T N 2.848 117.533 114.554 0.217 0.000 2.635 360 T HA -0.165 4.185 4.350 -0.001 0.000 0.267 360 T C 2.096 176.920 174.700 0.208 0.000 1.040 360 T CA 0.834 63.075 62.100 0.234 0.000 1.156 360 T CB -0.566 68.421 68.868 0.198 0.000 0.863 360 T HN 0.208 nan 8.240 nan 0.000 0.430 361 L N 0.388 121.694 121.223 0.138 0.000 1.990 361 L HA -0.145 4.195 4.340 -0.001 0.000 0.213 361 L C 2.421 179.335 176.870 0.073 0.000 1.072 361 L CA 1.609 56.499 54.840 0.083 0.000 0.755 361 L CB -0.340 41.754 42.059 0.057 0.000 0.889 361 L HN 0.312 nan 8.230 nan 0.000 0.432 362 L N -1.773 119.495 121.223 0.074 0.000 2.093 362 L HA -0.214 4.125 4.340 -0.001 0.000 0.208 362 L C 2.415 179.206 176.870 -0.131 0.000 1.085 362 L CA 1.165 55.971 54.840 -0.057 0.000 0.755 362 L CB -0.564 41.412 42.059 -0.138 0.000 0.904 362 L HN 0.182 nan 8.230 nan 0.000 0.435 363 F N 0.343 120.309 119.950 0.027 0.000 2.259 363 F HA -0.144 4.383 4.527 -0.000 0.000 0.298 363 F C 2.612 178.417 175.800 0.009 0.000 1.088 363 F CA 1.108 59.123 58.000 0.024 0.000 1.358 363 F CB -0.195 38.830 39.000 0.041 0.000 1.040 363 F HN 0.046 nan 8.300 nan 0.000 0.505 364 E N 0.570 120.867 120.200 0.163 0.000 2.047 364 E HA -0.202 4.147 4.350 -0.001 0.000 0.191 364 E C 2.182 178.796 176.600 0.023 0.000 0.987 364 E CA 1.452 57.894 56.400 0.070 0.000 0.799 364 E CB -0.319 29.412 29.700 0.051 0.000 0.752 364 E HN 0.316 nan 8.360 nan 0.000 0.449 365 M N 0.424 120.027 119.600 0.006 0.000 2.089 365 M HA -0.263 4.216 4.480 -0.001 0.000 0.257 365 M C 2.416 178.697 176.300 -0.032 0.000 1.071 365 M CA 2.246 57.532 55.300 -0.023 0.000 1.096 365 M CB -0.389 32.191 32.600 -0.033 0.000 1.330 365 M HN 0.084 nan 8.290 nan 0.000 0.403 366 K N 0.394 120.766 120.400 -0.046 0.000 1.991 366 K HA -0.211 4.109 4.320 -0.001 0.000 0.212 366 K C 1.867 178.457 176.600 -0.017 0.000 1.049 366 K CA 1.506 57.766 56.287 -0.046 0.000 0.932 366 K CB -0.250 32.202 32.500 -0.079 0.000 0.717 366 K HN 0.187 nan 8.250 nan 0.000 0.441 367 R N 0.615 121.118 120.500 0.005 0.000 2.423 367 R HA 0.016 4.356 4.340 -0.001 0.000 0.248 367 R C 0.625 176.922 176.300 -0.005 0.000 1.019 367 R CA 0.275 56.380 56.100 0.009 0.000 1.119 367 R CB 0.121 30.439 30.300 0.031 0.000 1.176 367 R HN 0.396 nan 8.270 nan 0.000 0.526 368 R N -3.683 116.809 120.500 -0.013 0.000 2.540 368 R HA 0.191 4.531 4.340 -0.001 0.000 0.273 368 R C 0.657 176.942 176.300 -0.025 0.000 0.937 368 R CA 0.380 56.468 56.100 -0.020 0.000 1.127 368 R CB -0.062 30.224 30.300 -0.024 0.000 1.745 368 R HN 0.043 nan 8.270 nan 0.000 0.485 369 G N 0.750 109.534 108.800 -0.027 0.000 2.149 369 G HA2 -0.163 3.796 3.960 -0.001 0.000 0.235 369 G HA3 -0.163 3.796 3.960 -0.001 0.000 0.235 369 G C 0.210 175.085 174.900 -0.042 0.000 1.018 369 G CA -0.042 45.038 45.100 -0.032 0.000 0.728 369 G HN 0.704 nan 8.290 nan 0.000 0.508 370 A N -0.794 122.000 122.820 -0.044 0.000 2.354 370 A HA 0.796 5.115 4.320 -0.001 0.000 0.269 370 A C 1.202 178.748 177.584 -0.063 0.000 1.109 370 A CA 0.538 52.541 52.037 -0.057 0.000 0.800 370 A CB 0.463 19.431 19.000 -0.054 0.000 1.045 370 A HN 0.485 nan 8.150 nan 0.000 0.489 371 R N 0.716 121.162 120.500 -0.090 0.000 2.167 371 R HA 0.123 4.463 4.340 -0.001 0.000 0.201 371 R C -0.231 175.994 176.300 -0.126 0.000 1.024 371 R CA 0.874 56.917 56.100 -0.095 0.000 1.053 371 R CB 0.126 30.364 30.300 -0.104 0.000 0.987 371 R HN 0.645 nan 8.270 nan 0.000 0.493 372 K N 1.262 121.534 120.400 -0.214 0.000 2.540 372 K HA 0.391 4.711 4.320 -0.001 0.000 0.218 372 K C -0.451 176.076 176.600 -0.120 0.000 1.017 372 K CA -0.402 55.702 56.287 -0.305 0.000 1.029 372 K CB 1.878 33.828 32.500 -0.918 0.000 1.348 372 K HN 0.087 nan 8.250 nan 0.000 0.508 373 G N 1.910 110.714 108.800 0.006 0.000 2.476 373 G HA2 0.522 4.482 3.960 -0.001 0.000 0.286 373 G HA3 0.522 4.482 3.960 -0.001 0.000 0.286 373 G C -1.015 173.964 174.900 0.131 0.000 1.177 373 G CA -0.584 44.539 45.100 0.039 0.000 0.870 373 G HN 0.496 nan 8.290 nan 0.000 0.528 374 L N 0.961 122.245 121.223 0.102 0.000 2.431 374 L HA 0.854 5.193 4.340 -0.001 0.000 0.266 374 L C -0.119 176.798 176.870 0.079 0.000 0.978 374 L CA -0.762 54.163 54.840 0.143 0.000 0.822 374 L CB 2.025 44.217 42.059 0.221 0.000 1.310 374 L HN 0.731 nan 8.230 nan 0.000 0.409 375 A N 2.724 125.604 122.820 0.099 0.000 2.325 375 A HA 0.853 5.173 4.320 -0.001 0.000 0.333 375 A C -0.495 177.164 177.584 0.125 0.000 1.155 375 A CA -0.327 51.758 52.037 0.081 0.000 0.814 375 A CB 1.730 20.768 19.000 0.064 0.000 1.206 375 A HN 0.743 nan 8.150 nan 0.000 0.482 376 T N 0.756 115.389 114.554 0.132 0.000 2.932 376 T HA 0.607 4.957 4.350 -0.001 0.000 0.318 376 T C -1.774 173.022 174.700 0.160 0.000 1.265 376 T CA -0.291 61.911 62.100 0.170 0.000 1.036 376 T CB 0.533 69.555 68.868 0.256 0.000 1.209 376 T HN 0.566 nan 8.240 nan 0.000 0.484 377 L N 3.041 124.351 121.223 0.146 0.000 2.409 377 L HA 0.720 5.060 4.340 -0.001 0.000 0.262 377 L C 0.280 177.245 176.870 0.159 0.000 0.992 377 L CA -0.808 54.128 54.840 0.161 0.000 0.817 377 L CB 1.882 43.984 42.059 0.072 0.000 1.350 377 L HN 0.977 nan 8.230 nan 0.000 0.411 378 C N 1.235 120.654 119.300 0.198 0.000 2.398 378 C HA 0.888 5.348 4.460 -0.001 0.000 0.364 378 C C -0.092 174.991 174.990 0.155 0.000 1.219 378 C CA -0.793 58.307 59.018 0.137 0.000 2.312 378 C CB -0.043 27.748 27.740 0.085 0.000 2.428 378 C HN 0.650 nan 8.230 nan 0.000 0.564 379 I N 1.765 122.394 120.570 0.097 0.000 2.656 379 I HA 0.503 4.673 4.170 -0.001 0.000 0.292 379 I C 0.798 176.951 176.117 0.060 0.000 1.144 379 I CA -0.392 60.958 61.300 0.082 0.000 1.038 379 I CB 1.803 39.842 38.000 0.065 0.000 1.244 379 I HN 1.033 nan 8.210 nan 0.000 0.420 380 G N 2.574 111.412 108.800 0.064 0.000 2.313 380 G HA2 0.400 4.360 3.960 -0.001 0.000 0.250 380 G HA3 0.400 4.360 3.960 -0.001 0.000 0.250 380 G C 0.884 175.805 174.900 0.035 0.000 1.281 380 G CA 0.721 45.855 45.100 0.056 0.000 0.917 380 G HN 1.283 nan 8.290 nan 0.000 0.501 381 G N 0.671 109.468 108.800 -0.006 0.000 2.179 381 G HA2 0.296 4.256 3.960 -0.001 0.000 0.220 381 G HA3 0.296 4.256 3.960 -0.001 0.000 0.220 381 G C 0.965 175.781 174.900 -0.139 0.000 0.990 381 G CA 0.694 45.717 45.100 -0.128 0.000 0.646 381 G HN 2.701 nan 8.290 nan 0.000 0.517 382 G N -0.685 108.079 108.800 -0.059 0.000 2.956 382 G HA2 0.172 4.132 3.960 -0.001 0.000 0.263 382 G HA3 0.172 4.132 3.960 -0.001 0.000 0.263 382 G C -0.309 174.577 174.900 -0.023 0.000 1.090 382 G CA 0.588 45.661 45.100 -0.044 0.000 1.185 382 G HN 1.179 nan 8.290 nan 0.000 0.566 383 M N -0.234 119.369 119.600 0.005 0.000 2.470 383 M HA 0.621 5.100 4.480 -0.001 0.000 0.285 383 M C 0.294 176.622 176.300 0.046 0.000 1.213 383 M CA -0.336 54.979 55.300 0.024 0.000 0.901 383 M CB 2.547 35.167 32.600 0.033 0.000 1.718 383 M HN 0.677 nan 8.290 nan 0.000 0.469 384 G N 0.865 109.697 108.800 0.053 0.000 2.481 384 G HA2 0.741 4.701 3.960 -0.001 0.000 0.315 384 G HA3 0.741 4.701 3.960 -0.001 0.000 0.315 384 G C -2.037 172.924 174.900 0.100 0.000 1.231 384 G CA -0.621 44.522 45.100 0.073 0.000 0.968 384 G HN 0.573 nan 8.290 nan 0.000 0.482 385 V N 0.106 120.094 119.914 0.123 0.000 2.760 385 V HA 0.902 5.021 4.120 -0.001 0.000 0.309 385 V C -0.725 175.472 176.094 0.172 0.000 1.077 385 V CA -0.162 62.242 62.300 0.173 0.000 0.910 385 V CB 1.607 33.533 31.823 0.173 0.000 1.008 385 V HN 1.670 nan 8.190 nan 0.000 0.424 386 A N 7.023 129.971 122.820 0.214 0.000 2.515 386 A HA 0.952 5.272 4.320 -0.001 0.000 0.298 386 A C -1.088 176.629 177.584 0.221 0.000 1.059 386 A CA -0.591 51.557 52.037 0.184 0.000 0.698 386 A CB 2.087 21.169 19.000 0.136 0.000 1.289 386 A HN 1.378 nan 8.150 nan 0.000 0.404 387 M N 1.642 121.353 119.600 0.184 0.000 2.371 387 M HA 0.509 4.988 4.480 -0.001 0.000 0.287 387 M C -1.901 174.494 176.300 0.158 0.000 1.149 387 M CA -0.244 55.163 55.300 0.179 0.000 0.929 387 M CB 1.692 34.386 32.600 0.157 0.000 1.683 387 M HN 0.727 nan 8.290 nan 0.000 0.470 388 C N 4.750 124.130 119.300 0.133 0.000 2.341 388 C HA 0.737 5.196 4.460 -0.001 0.000 0.338 388 C C -0.493 174.621 174.990 0.208 0.000 1.257 388 C CA -0.767 58.364 59.018 0.189 0.000 1.883 388 C CB 0.579 28.314 27.740 -0.008 0.000 2.334 388 C HN 0.607 nan 8.230 nan 0.000 0.524 389 I N 2.835 123.606 120.570 0.334 0.000 2.478 389 I HA 0.388 4.558 4.170 -0.001 0.000 0.287 389 I C -0.154 176.159 176.117 0.327 0.000 1.042 389 I CA -0.152 61.298 61.300 0.250 0.000 1.067 389 I CB 1.554 39.638 38.000 0.139 0.000 1.233 389 I HN 0.777 nan 8.210 nan 0.000 0.431 390 E N 4.806 125.200 120.200 0.323 0.000 2.158 390 E HA 0.515 4.865 4.350 -0.001 0.000 0.271 390 E C -0.611 176.056 176.600 0.112 0.000 0.911 390 E CA -0.424 56.126 56.400 0.251 0.000 0.767 390 E CB 1.382 31.310 29.700 0.379 0.000 1.120 390 E HN 0.636 nan 8.360 nan 0.000 0.405 391 S N 4.000 119.728 115.700 0.047 0.000 2.617 391 S HA 0.482 4.952 4.470 -0.001 0.000 0.283 391 S C 0.218 174.826 174.600 0.013 0.000 1.189 391 S CA -0.904 57.304 58.200 0.014 0.000 1.036 391 S CB 0.999 64.189 63.200 -0.016 0.000 1.014 391 S HN 0.519 nan 8.310 nan 0.000 0.522 392 L N 0.000 121.226 121.223 0.006 0.000 2.949 392 L HA 0.000 4.340 4.340 -0.001 0.000 0.249 392 L CA 0.000 54.845 54.840 0.008 0.000 0.813 392 L CB 0.000 42.064 42.059 0.008 0.000 0.961 392 L HN 0.000 nan 8.230 nan 0.000 0.502