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 3iss_1_F DATA FIRST_RESID 1 DATA SEQUENCE MDKFRVQGPT KLQGEVTISG AKNAALPILF AALLAEEPVE IQNVPKLKDV DATA SEQUENCE DTSMKLLSQL GAKVERDGSV HIDARDVNVF CAPYDLVKTM RASIWALGPL DATA SEQUENCE VARFGQGQVS LPGGCTIGAR PVDLHISGLE QLGATIKLEE GYVKASVDGR DATA SEQUENCE LKGAHIVMDK VSVGATVTIM CAATLAEGTT IIENAAREPE IVDTANFLIT DATA SEQUENCE LGAKISGQGT DRIVIEGVER LGGGVYRVLP DRIETGTFLV AAAISRGKII DATA SEQUENCE CRNAQPDTLD AVLAKLRDAG ADIEVGEDWI SLDMHGKRPK AVNVRTAPHP DATA SEQUENCE AFPTDMQAQF TLLNLVAEGT GFITETVFEN RFMHVPELSR MGAHAEIESN DATA SEQUENCE TVICHGVEKL SGAQVMATDL RASASLVLAG CIAEGTTVVD RIYHIDRGYE DATA SEQUENCE RIEDKLRALG ANIERVKG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.296 176.300 -0.007 0.000 1.140 1 M CA 0.000 55.301 55.300 0.001 0.000 0.988 1 M CB 0.000 32.609 32.600 0.016 0.000 1.302 2 D N 2.746 123.132 120.400 -0.024 0.000 2.400 2 D HA 0.438 5.079 4.640 0.001 0.000 0.238 2 D C 0.062 176.293 176.300 -0.116 0.000 1.157 2 D CA 0.637 54.594 54.000 -0.072 0.000 0.889 2 D CB 1.154 41.888 40.800 -0.110 0.000 1.199 2 D HN 0.318 nan 8.370 nan 0.000 0.436 3 K N 0.202 120.519 120.400 -0.138 0.000 2.512 3 K HA 0.467 4.787 4.320 0.001 0.000 0.263 3 K C -1.113 175.407 176.600 -0.133 0.000 0.966 3 K CA -0.820 55.387 56.287 -0.134 0.000 0.851 3 K CB 1.581 34.068 32.500 -0.023 0.000 1.395 3 K HN 0.131 nan 8.250 nan 0.000 0.440 4 F N 1.598 121.554 119.950 0.011 0.000 2.427 4 F HA 0.399 4.927 4.527 0.001 0.000 0.346 4 F C 0.404 176.206 175.800 0.003 0.000 1.120 4 F CA -0.830 57.172 58.000 0.004 0.000 1.033 4 F CB 1.368 40.364 39.000 -0.005 0.000 1.126 4 F HN 0.266 nan 8.300 nan 0.000 0.462 5 R N 3.185 123.813 120.500 0.214 0.000 2.312 5 R HA 0.753 5.094 4.340 0.001 0.000 0.311 5 R C -1.892 174.449 176.300 0.069 0.000 1.004 5 R CA -0.330 55.836 56.100 0.110 0.000 0.902 5 R CB 1.099 31.445 30.300 0.075 0.000 1.073 5 R HN 0.512 nan 8.270 nan 0.000 0.457 6 V N 4.401 124.340 119.914 0.041 0.000 2.656 6 V HA 0.335 4.455 4.120 0.001 0.000 0.307 6 V C -0.750 175.344 176.094 -0.000 0.000 1.051 6 V CA -0.915 61.386 62.300 0.001 0.000 0.893 6 V CB 2.007 33.820 31.823 -0.017 0.000 0.999 6 V HN 0.752 nan 8.190 nan 0.000 0.426 7 Q N 2.457 122.251 119.800 -0.010 0.000 2.331 7 Q HA 0.722 5.062 4.340 0.001 0.000 0.267 7 Q C -0.006 175.985 176.000 -0.014 0.000 1.006 7 Q CA -0.240 55.559 55.803 -0.008 0.000 0.818 7 Q CB 2.688 31.422 28.738 -0.006 0.000 1.276 7 Q HN 1.001 nan 8.270 nan 0.000 0.450 8 G N 2.380 111.173 108.800 -0.012 0.000 2.866 8 G HA2 0.698 4.659 3.960 0.001 0.000 0.289 8 G HA3 0.698 4.659 3.960 0.001 0.000 0.289 8 G C -2.888 172.006 174.900 -0.010 0.000 1.396 8 G CA -1.106 43.986 45.100 -0.014 0.000 0.848 8 G HN 0.288 nan 8.290 nan 0.000 0.515 9 P HA 0.420 nan 4.420 nan 0.000 0.276 9 P C -0.755 176.536 177.300 -0.015 0.000 1.244 9 P CA 0.044 63.136 63.100 -0.014 0.000 0.801 9 P CB 1.864 33.557 31.700 -0.012 0.000 1.006 10 T N -0.041 114.502 114.554 -0.018 0.000 3.041 10 T HA 0.301 4.652 4.350 0.001 0.000 0.321 10 T C -1.190 173.498 174.700 -0.019 0.000 1.184 10 T CA -0.753 61.336 62.100 -0.018 0.000 1.050 10 T CB 0.945 69.799 68.868 -0.022 0.000 1.159 10 T HN 0.409 nan 8.240 nan 0.000 0.469 11 K N 5.288 125.679 120.400 -0.016 0.000 2.253 11 K HA 0.553 4.874 4.320 0.001 0.000 0.277 11 K C -0.592 175.999 176.600 -0.016 0.000 1.053 11 K CA -0.605 55.672 56.287 -0.016 0.000 0.892 11 K CB 0.323 32.815 32.500 -0.013 0.000 1.102 11 K HN 0.511 nan 8.250 nan 0.000 0.469 12 L N 6.228 127.442 121.223 -0.014 0.000 2.315 12 L HA 0.233 4.573 4.340 0.001 0.000 0.283 12 L C -0.041 176.823 176.870 -0.011 0.000 1.089 12 L CA -0.138 54.696 54.840 -0.009 0.000 0.833 12 L CB 0.506 42.568 42.059 0.006 0.000 1.170 12 L HN 0.763 nan 8.230 nan 0.000 0.442 13 Q N 2.676 122.465 119.800 -0.019 0.000 2.482 13 Q HA 0.865 5.206 4.340 0.001 0.000 0.286 13 Q C -0.299 175.680 176.000 -0.035 0.000 1.007 13 Q CA -0.594 55.194 55.803 -0.025 0.000 0.801 13 Q CB 2.821 31.544 28.738 -0.026 0.000 1.455 13 Q HN 0.634 nan 8.270 nan 0.000 0.398 14 G N 0.775 109.550 108.800 -0.041 0.000 2.250 14 G HA2 0.048 4.009 3.960 0.001 0.000 0.196 14 G HA3 0.048 4.009 3.960 0.001 0.000 0.196 14 G C -1.538 173.324 174.900 -0.063 0.000 1.308 14 G CA -0.057 45.012 45.100 -0.053 0.000 1.207 14 G HN 1.088 nan 8.290 nan 0.000 0.505 15 E N -1.890 118.261 120.200 -0.082 0.000 2.433 15 E HA 0.770 5.120 4.350 0.001 0.000 0.273 15 E C -1.510 175.003 176.600 -0.146 0.000 0.950 15 E CA -1.033 55.310 56.400 -0.095 0.000 0.796 15 E CB 2.724 32.376 29.700 -0.081 0.000 1.330 15 E HN 1.486 nan 8.360 nan 0.000 0.455 16 V N 0.456 120.267 119.914 -0.171 0.000 2.971 16 V HA 0.469 4.590 4.120 0.001 0.000 0.309 16 V C -1.387 174.609 176.094 -0.164 0.000 1.130 16 V CA -0.302 61.839 62.300 -0.265 0.000 0.964 16 V CB 2.509 33.984 31.823 -0.580 0.000 1.029 16 V HN 0.884 nan 8.190 nan 0.000 0.427 17 T N 7.381 121.851 114.554 -0.139 0.000 2.749 17 T HA 0.523 4.873 4.350 0.001 0.000 0.287 17 T C -0.191 174.486 174.700 -0.038 0.000 0.970 17 T CA -0.235 61.828 62.100 -0.063 0.000 0.980 17 T CB 0.575 69.418 68.868 -0.041 0.000 0.924 17 T HN 0.460 nan 8.240 nan 0.000 0.456 18 I N 3.316 123.892 120.570 0.009 0.000 2.496 18 I HA 0.167 4.337 4.170 0.001 0.000 0.285 18 I C 1.166 177.314 176.117 0.051 0.000 1.080 18 I CA -0.079 61.256 61.300 0.058 0.000 1.404 18 I CB 0.320 38.366 38.000 0.077 0.000 1.403 18 I HN 0.561 nan 8.210 nan 0.000 0.539 19 S N 4.140 119.885 115.700 0.074 0.000 2.624 19 S HA 0.448 4.919 4.470 0.001 0.000 0.263 19 S C 0.721 175.344 174.600 0.038 0.000 1.287 19 S CA -0.545 57.687 58.200 0.054 0.000 0.990 19 S CB 1.018 64.261 63.200 0.071 0.000 0.950 19 S HN 0.853 nan 8.310 nan 0.000 0.561 20 G N 0.115 108.927 108.800 0.019 0.000 2.554 20 G HA2 0.437 4.397 3.960 0.001 0.000 0.238 20 G HA3 0.437 4.397 3.960 0.001 0.000 0.238 20 G C -0.069 174.834 174.900 0.005 0.000 1.259 20 G CA -0.386 44.718 45.100 0.007 0.000 0.843 20 G HN 0.914 nan 8.290 nan 0.000 0.582 21 A N 1.409 124.229 122.820 0.000 0.000 2.484 21 A HA 0.238 4.559 4.320 0.001 0.000 0.268 21 A C 1.662 179.241 177.584 -0.009 0.000 1.114 21 A CA 0.198 52.231 52.037 -0.007 0.000 0.780 21 A CB 0.209 19.204 19.000 -0.007 0.000 1.061 21 A HN 0.905 nan 8.150 nan 0.000 0.505 22 K N 2.486 122.874 120.400 -0.020 0.000 2.074 22 K HA -0.207 4.114 4.320 0.001 0.000 0.209 22 K C 0.526 177.142 176.600 0.028 0.000 1.048 22 K CA 2.077 58.357 56.287 -0.012 0.000 0.926 22 K CB -0.077 32.393 32.500 -0.050 0.000 0.713 22 K HN 0.713 nan 8.250 nan 0.000 0.444 23 N N -0.215 118.504 118.700 0.032 0.000 2.383 23 N HA 0.050 4.791 4.740 0.001 0.000 0.192 23 N C 0.620 176.171 175.510 0.069 0.000 1.141 23 N CA 0.639 53.746 53.050 0.094 0.000 0.851 23 N CB 0.798 39.342 38.487 0.094 0.000 0.976 23 N HN 0.333 nan 8.380 nan 0.000 0.465 24 A N 0.041 122.869 122.820 0.014 0.000 1.963 24 A HA 0.410 4.730 4.320 0.001 0.000 0.207 24 A C 2.180 179.724 177.584 -0.067 0.000 1.243 24 A CA 0.788 52.807 52.037 -0.029 0.000 0.728 24 A CB -0.480 18.513 19.000 -0.012 0.000 0.895 24 A HN 0.175 nan 8.150 nan 0.000 0.467 25 A N 0.181 122.975 122.820 -0.043 0.000 1.892 25 A HA -0.116 4.204 4.320 0.001 0.000 0.218 25 A C 2.031 179.571 177.584 -0.073 0.000 1.188 25 A CA 1.918 53.910 52.037 -0.076 0.000 0.631 25 A CB -0.713 18.259 19.000 -0.046 0.000 0.822 25 A HN 0.392 nan 8.150 nan 0.000 0.447 26 L N -0.064 121.184 121.223 0.041 0.000 1.989 26 L HA -0.098 4.243 4.340 0.001 0.000 0.211 26 L C -0.449 176.541 176.870 0.200 0.000 1.071 26 L CA 2.582 57.540 54.840 0.196 0.000 0.749 26 L CB -1.346 40.967 42.059 0.423 0.000 0.890 26 L HN 0.235 nan 8.230 nan 0.000 0.431 27 P HA -0.108 nan 4.420 nan 0.000 0.219 27 P C 2.074 179.199 177.300 -0.293 0.000 1.150 27 P CA 1.388 64.162 63.100 -0.543 0.000 0.814 27 P CB 0.076 31.273 31.700 -0.838 0.000 0.787 28 I N -1.427 118.958 120.570 -0.308 0.000 2.202 28 I HA -0.215 3.956 4.170 0.001 0.000 0.242 28 I C 2.024 177.878 176.117 -0.438 0.000 1.091 28 I CA 1.093 62.086 61.300 -0.511 0.000 1.368 28 I CB -0.687 36.879 38.000 -0.723 0.000 1.058 28 I HN -0.135 nan 8.210 nan 0.000 0.410 29 L N -0.105 120.920 121.223 -0.330 0.000 2.081 29 L HA -0.238 4.103 4.340 0.001 0.000 0.212 29 L C 2.158 178.859 176.870 -0.281 0.000 1.080 29 L CA 2.131 56.778 54.840 -0.322 0.000 0.754 29 L CB -0.852 40.975 42.059 -0.387 0.000 0.893 29 L HN 0.117 nan 8.230 nan 0.000 0.433 30 F N -1.338 118.585 119.950 -0.046 0.000 2.335 30 F HA 0.032 4.559 4.527 0.001 0.000 0.296 30 F C 2.348 178.163 175.800 0.024 0.000 1.091 30 F CA 0.728 58.743 58.000 0.025 0.000 1.399 30 F CB -0.863 38.188 39.000 0.085 0.000 1.067 30 F HN 0.015 nan 8.300 nan 0.000 0.520 31 A N 0.067 122.966 122.820 0.132 0.000 2.067 31 A HA 0.008 4.328 4.320 0.001 0.000 0.219 31 A C 2.365 180.096 177.584 0.244 0.000 1.158 31 A CA 1.317 53.453 52.037 0.165 0.000 0.661 31 A CB -1.087 18.021 19.000 0.180 0.000 0.801 31 A HN 0.263 nan 8.150 nan 0.000 0.452 32 A N -0.098 122.852 122.820 0.218 0.000 2.070 32 A HA -0.031 4.289 4.320 0.001 0.000 0.220 32 A C 1.949 179.633 177.584 0.167 0.000 1.159 32 A CA 1.244 53.417 52.037 0.226 0.000 0.656 32 A CB -0.585 18.492 19.000 0.129 0.000 0.800 32 A HN 0.500 nan 8.150 nan 0.000 0.453 33 L N -0.799 120.528 121.223 0.174 0.000 2.349 33 L HA -0.156 4.184 4.340 0.001 0.000 0.220 33 L C 2.116 179.110 176.870 0.206 0.000 1.130 33 L CA 0.636 55.605 54.840 0.215 0.000 0.791 33 L CB -0.391 41.829 42.059 0.268 0.000 0.918 33 L HN 0.415 nan 8.230 nan 0.000 0.444 34 L N -0.563 120.746 121.223 0.142 0.000 2.341 34 L HA 0.081 4.422 4.340 0.001 0.000 0.214 34 L C 1.439 178.326 176.870 0.028 0.000 1.115 34 L CA -0.279 54.601 54.840 0.066 0.000 0.820 34 L CB -0.329 41.752 42.059 0.036 0.000 0.944 34 L HN 0.136 nan 8.230 nan 0.000 0.452 35 A N 0.291 123.143 122.820 0.055 0.000 2.440 35 A HA 0.120 4.441 4.320 0.001 0.000 0.251 35 A C 0.862 178.465 177.584 0.032 0.000 1.089 35 A CA -0.177 51.873 52.037 0.023 0.000 0.779 35 A CB 0.267 19.294 19.000 0.044 0.000 1.022 35 A HN 0.325 nan 8.150 nan 0.000 0.492 36 E N 0.599 120.802 120.200 0.006 0.000 2.452 36 E HA 0.037 4.387 4.350 0.001 0.000 0.197 36 E C -0.208 176.407 176.600 0.024 0.000 1.022 36 E CA 0.212 56.621 56.400 0.015 0.000 0.890 36 E CB 0.402 30.097 29.700 -0.009 0.000 0.918 36 E HN 0.690 nan 8.360 nan 0.000 0.496 37 E N 0.695 120.907 120.200 0.020 0.000 2.281 37 E HA 0.354 4.705 4.350 0.001 0.000 0.262 37 E C -2.493 174.133 176.600 0.045 0.000 0.933 37 E CA -2.490 53.926 56.400 0.028 0.000 0.809 37 E CB 0.951 30.660 29.700 0.016 0.000 1.242 37 E HN -0.166 nan 8.360 nan 0.000 0.418 38 P HA 0.024 nan 4.420 nan 0.000 0.271 38 P C -0.797 176.560 177.300 0.094 0.000 1.233 38 P CA -0.007 63.139 63.100 0.077 0.000 0.795 38 P CB 0.518 32.262 31.700 0.074 0.000 0.936 39 V N 0.084 120.075 119.914 0.128 0.000 2.882 39 V HA 0.285 4.405 4.120 0.001 0.000 0.295 39 V C -1.484 174.694 176.094 0.139 0.000 1.273 39 V CA -0.480 61.910 62.300 0.151 0.000 0.949 39 V CB 1.856 33.794 31.823 0.192 0.000 1.071 39 V HN 0.541 nan 8.190 nan 0.000 0.432 40 E N 5.512 125.778 120.200 0.110 0.000 2.191 40 E HA 0.586 4.936 4.350 0.001 0.000 0.263 40 E C -1.656 174.931 176.600 -0.022 0.000 0.881 40 E CA -0.733 55.634 56.400 -0.055 0.000 0.757 40 E CB 1.712 31.367 29.700 -0.075 0.000 1.147 40 E HN 0.626 nan 8.360 nan 0.000 0.414 41 I N 4.071 124.580 120.570 -0.102 0.000 2.339 41 I HA 0.165 4.335 4.170 0.001 0.000 0.290 41 I C 0.138 176.199 176.117 -0.093 0.000 0.994 41 I CA -0.207 61.055 61.300 -0.062 0.000 1.191 41 I CB 1.588 39.508 38.000 -0.132 0.000 1.343 41 I HN 0.457 nan 8.210 nan 0.000 0.458 42 Q N 3.910 123.681 119.800 -0.049 0.000 2.205 42 Q HA 0.376 4.717 4.340 0.001 0.000 0.249 42 Q C 0.249 176.219 176.000 -0.050 0.000 0.948 42 Q CA -0.766 55.000 55.803 -0.061 0.000 0.895 42 Q CB 0.861 29.566 28.738 -0.054 0.000 1.249 42 Q HN 0.556 nan 8.270 nan 0.000 0.458 43 N N -0.220 118.454 118.700 -0.043 0.000 2.758 43 N HA -0.159 4.582 4.740 0.001 0.000 0.248 43 N C -1.782 173.712 175.510 -0.026 0.000 1.076 43 N CA 0.253 53.285 53.050 -0.030 0.000 0.696 43 N CB -0.954 37.513 38.487 -0.033 0.000 0.979 43 N HN 0.317 nan 8.380 nan 0.000 0.550 44 V N 1.824 121.719 119.914 -0.033 0.000 2.432 44 V HA 0.453 4.573 4.120 0.001 0.000 0.275 44 V C -1.487 174.599 176.094 -0.014 0.000 1.043 44 V CA -1.101 61.180 62.300 -0.031 0.000 0.925 44 V CB 1.413 33.206 31.823 -0.051 0.000 0.985 44 V HN 0.207 nan 8.190 nan 0.000 0.466 45 P HA 0.182 nan 4.420 nan 0.000 0.272 45 P C -0.834 176.475 177.300 0.015 0.000 1.223 45 P CA -0.450 62.658 63.100 0.013 0.000 0.784 45 P CB 0.686 32.396 31.700 0.017 0.000 0.923 46 K N 2.929 123.347 120.400 0.029 0.000 2.206 46 K HA 0.403 4.723 4.320 0.001 0.000 0.268 46 K C -0.223 176.402 176.600 0.043 0.000 1.111 46 K CA -0.187 56.118 56.287 0.030 0.000 0.955 46 K CB 0.045 32.565 32.500 0.034 0.000 1.406 46 K HN 0.450 nan 8.250 nan 0.000 0.427 47 L N 1.744 122.987 121.223 0.033 0.000 2.371 47 L HA 0.302 4.642 4.340 0.001 0.000 0.262 47 L C 1.195 178.085 176.870 0.034 0.000 1.006 47 L CA -0.894 53.970 54.840 0.040 0.000 0.818 47 L CB 1.882 43.956 42.059 0.026 0.000 1.354 47 L HN 0.312 nan 8.230 nan 0.000 0.415 48 K N 0.703 121.128 120.400 0.042 0.000 2.152 48 K HA -0.164 4.157 4.320 0.001 0.000 0.206 48 K C 1.163 177.783 176.600 0.034 0.000 1.048 48 K CA 1.592 57.901 56.287 0.036 0.000 0.933 48 K CB 0.083 32.610 32.500 0.045 0.000 0.721 48 K HN 0.535 nan 8.250 nan 0.000 0.447 49 D N -0.624 119.799 120.400 0.038 0.000 2.178 49 D HA -0.115 4.525 4.640 0.001 0.000 0.201 49 D C 1.664 177.991 176.300 0.046 0.000 0.980 49 D CA 0.811 54.840 54.000 0.048 0.000 0.842 49 D CB 0.055 40.886 40.800 0.050 0.000 0.948 49 D HN 0.004 nan 8.370 nan 0.000 0.472 50 V N 1.072 121.000 119.914 0.023 0.000 2.379 50 V HA -0.188 3.932 4.120 0.001 0.000 0.245 50 V C 1.753 177.839 176.094 -0.013 0.000 1.044 50 V CA 1.517 63.814 62.300 -0.004 0.000 1.036 50 V CB -0.333 31.482 31.823 -0.013 0.000 0.664 50 V HN 0.084 nan 8.190 nan 0.000 0.453 51 D N 0.196 120.596 120.400 0.001 0.000 2.106 51 D HA -0.169 4.472 4.640 0.001 0.000 0.191 51 D C 2.268 178.569 176.300 0.001 0.000 0.997 51 D CA 2.075 56.075 54.000 -0.001 0.000 0.834 51 D CB -0.661 40.143 40.800 0.006 0.000 0.956 51 D HN 0.372 nan 8.370 nan 0.000 0.448 52 T N 0.350 114.915 114.554 0.018 0.000 2.759 52 T HA -0.117 4.233 4.350 0.001 0.000 0.269 52 T C 2.178 176.906 174.700 0.045 0.000 1.042 52 T CA 1.476 63.596 62.100 0.033 0.000 1.140 52 T CB -0.268 68.629 68.868 0.048 0.000 0.864 52 T HN 0.047 nan 8.240 nan 0.000 0.455 53 S N 1.176 116.892 115.700 0.026 0.000 2.356 53 S HA -0.023 4.447 4.470 0.001 0.000 0.223 53 S C 2.133 176.650 174.600 -0.138 0.000 1.032 53 S CA 1.158 59.316 58.200 -0.070 0.000 1.005 53 S CB -0.369 62.702 63.200 -0.216 0.000 0.867 53 S HN 0.431 nan 8.310 nan 0.000 0.449 54 M N 1.122 120.663 119.600 -0.099 0.000 2.086 54 M HA -0.175 4.306 4.480 0.001 0.000 0.261 54 M C 2.274 178.549 176.300 -0.041 0.000 1.067 54 M CA 1.656 56.908 55.300 -0.079 0.000 1.116 54 M CB -0.505 32.064 32.600 -0.051 0.000 1.348 54 M HN 0.198 nan 8.290 nan 0.000 0.407 55 K N 0.937 121.327 120.400 -0.017 0.000 2.074 55 K HA -0.227 4.093 4.320 0.001 0.000 0.209 55 K C 1.768 178.375 176.600 0.011 0.000 1.048 55 K CA 1.551 57.838 56.287 -0.001 0.000 0.926 55 K CB -0.478 32.026 32.500 0.007 0.000 0.713 55 K HN 0.174 nan 8.250 nan 0.000 0.444 56 L N 0.548 121.791 121.223 0.033 0.000 2.005 56 L HA -0.060 4.280 4.340 0.001 0.000 0.207 56 L C 1.940 178.840 176.870 0.049 0.000 1.072 56 L CA 1.514 56.399 54.840 0.075 0.000 0.744 56 L CB -0.816 41.352 42.059 0.182 0.000 0.895 56 L HN 0.252 nan 8.230 nan 0.000 0.433 57 L N -0.374 120.849 121.223 0.000 0.000 1.990 57 L HA -0.259 4.081 4.340 0.001 0.000 0.213 57 L C 2.911 179.773 176.870 -0.013 0.000 1.072 57 L CA 2.212 57.041 54.840 -0.017 0.000 0.755 57 L CB -1.442 40.569 42.059 -0.081 0.000 0.889 57 L HN 0.535 nan 8.230 nan 0.000 0.432 58 S N -1.274 114.415 115.700 -0.019 0.000 2.359 58 S HA -0.323 4.147 4.470 0.001 0.000 0.224 58 S C 2.081 176.666 174.600 -0.026 0.000 1.035 58 S CA 1.807 59.995 58.200 -0.019 0.000 1.018 58 S CB -0.301 62.890 63.200 -0.015 0.000 0.876 58 S HN 0.549 nan 8.310 nan 0.000 0.448 59 Q N -0.132 119.657 119.800 -0.018 0.000 2.181 59 Q HA -0.030 4.310 4.340 0.001 0.000 0.205 59 Q C 1.965 177.930 176.000 -0.058 0.000 0.980 59 Q CA 1.467 57.254 55.803 -0.026 0.000 0.862 59 Q CB -0.195 28.542 28.738 -0.003 0.000 0.905 59 Q HN 0.618 nan 8.270 nan 0.000 0.429 60 L N -1.735 119.453 121.223 -0.058 0.000 2.478 60 L HA 0.094 4.434 4.340 0.001 0.000 0.223 60 L C 1.242 178.008 176.870 -0.174 0.000 1.140 60 L CA 0.639 55.406 54.840 -0.123 0.000 0.842 60 L CB 0.177 42.196 42.059 -0.066 0.000 0.953 60 L HN 0.523 nan 8.230 nan 0.000 0.452 61 G N -0.615 108.122 108.800 -0.106 0.000 2.175 61 G HA2 -0.149 3.812 3.960 0.001 0.000 0.182 61 G HA3 -0.149 3.812 3.960 0.001 0.000 0.182 61 G C 0.247 175.120 174.900 -0.045 0.000 1.003 61 G CA -0.181 44.862 45.100 -0.095 0.000 0.666 61 G HN 0.413 nan 8.290 nan 0.000 0.506 62 A N -0.202 122.604 122.820 -0.023 0.000 2.304 62 A HA 0.776 5.096 4.320 0.001 0.000 0.271 62 A C 0.269 177.856 177.584 0.004 0.000 1.091 62 A CA 0.021 52.062 52.037 0.007 0.000 0.812 62 A CB 0.585 19.597 19.000 0.020 0.000 1.056 62 A HN 0.280 nan 8.150 nan 0.000 0.489 63 K N 0.560 120.970 120.400 0.017 0.000 2.253 63 K HA 0.530 4.851 4.320 0.001 0.000 0.277 63 K C -1.164 175.451 176.600 0.025 0.000 1.053 63 K CA 0.089 56.386 56.287 0.016 0.000 0.892 63 K CB 1.313 33.824 32.500 0.018 0.000 1.102 63 K HN 0.396 nan 8.250 nan 0.000 0.469 64 V N 3.554 123.478 119.914 0.018 0.000 2.656 64 V HA 0.547 4.667 4.120 0.001 0.000 0.307 64 V C -0.607 175.506 176.094 0.031 0.000 1.051 64 V CA -0.865 61.449 62.300 0.023 0.000 0.893 64 V CB 1.697 33.517 31.823 -0.004 0.000 0.999 64 V HN 0.890 nan 8.190 nan 0.000 0.426 65 E N 4.139 124.375 120.200 0.060 0.000 2.407 65 E HA 0.784 5.134 4.350 0.001 0.000 0.279 65 E C -1.294 175.365 176.600 0.098 0.000 1.012 65 E CA -1.238 55.200 56.400 0.063 0.000 0.800 65 E CB 3.121 32.853 29.700 0.054 0.000 1.276 65 E HN 0.772 nan 8.360 nan 0.000 0.452 66 R N 0.367 120.911 120.500 0.072 0.000 2.766 66 R HA 0.364 4.704 4.340 0.001 0.000 0.270 66 R C -0.837 175.495 176.300 0.054 0.000 1.035 66 R CA -0.287 55.849 56.100 0.061 0.000 0.911 66 R CB 0.561 30.867 30.300 0.011 0.000 1.243 66 R HN 0.385 nan 8.270 nan 0.000 0.460 67 D N -0.395 120.029 120.400 0.041 0.000 2.098 67 D HA 0.097 4.737 4.640 0.001 0.000 0.207 67 D C 1.203 177.517 176.300 0.024 0.000 0.979 67 D CA 2.024 56.045 54.000 0.034 0.000 0.878 67 D CB -0.165 40.650 40.800 0.025 0.000 1.028 67 D HN 0.710 nan 8.370 nan 0.000 0.452 68 G N -1.797 107.006 108.800 0.004 0.000 4.109 68 G HA2 0.124 4.085 3.960 0.001 0.000 0.191 68 G HA3 0.124 4.085 3.960 0.001 0.000 0.191 68 G C 0.206 175.085 174.900 -0.034 0.000 1.163 68 G CA 0.028 45.124 45.100 -0.007 0.000 0.953 68 G HN 0.289 nan 8.290 nan 0.000 0.502 69 S N -0.618 115.047 115.700 -0.058 0.000 2.599 69 S HA 0.751 5.222 4.470 0.001 0.000 0.294 69 S C -0.956 173.538 174.600 -0.177 0.000 1.094 69 S CA -0.380 57.734 58.200 -0.143 0.000 0.931 69 S CB 2.524 65.591 63.200 -0.221 0.000 1.093 69 S HN 0.295 nan 8.310 nan 0.000 0.488 70 V N 3.153 122.939 119.914 -0.214 0.000 2.513 70 V HA 0.428 4.548 4.120 0.001 0.000 0.299 70 V C -0.796 175.147 176.094 -0.252 0.000 1.035 70 V CA -0.636 61.566 62.300 -0.162 0.000 0.889 70 V CB 1.497 33.257 31.823 -0.105 0.000 0.988 70 V HN 0.804 nan 8.190 nan 0.000 0.440 71 H N 5.415 124.484 119.070 -0.002 0.000 2.476 71 H HA 0.567 5.124 4.556 0.001 0.000 0.328 71 H C -0.759 174.572 175.328 0.005 0.000 1.073 71 H CA -0.235 55.819 56.048 0.010 0.000 1.229 71 H CB 1.853 31.622 29.762 0.012 0.000 1.432 71 H HN 0.432 nan 8.280 nan 0.000 0.477 72 I N 2.768 123.409 120.570 0.118 0.000 2.466 72 I HA 0.062 4.232 4.170 0.001 0.000 0.289 72 I C -0.323 175.847 176.117 0.089 0.000 1.026 72 I CA -0.568 60.777 61.300 0.076 0.000 1.078 72 I CB 2.074 40.098 38.000 0.040 0.000 1.249 72 I HN 0.430 nan 8.210 nan 0.000 0.429 73 D N 5.634 126.076 120.400 0.070 0.000 2.453 73 D HA 0.490 5.130 4.640 0.001 0.000 0.238 73 D C 0.034 176.373 176.300 0.065 0.000 1.088 73 D CA -0.341 53.698 54.000 0.066 0.000 0.854 73 D CB 1.941 42.772 40.800 0.051 0.000 1.076 73 D HN 0.620 nan 8.370 nan 0.000 0.533 74 A N 4.323 127.193 122.820 0.084 0.000 2.500 74 A HA 0.170 4.490 4.320 0.001 0.000 0.267 74 A C 1.759 179.425 177.584 0.137 0.000 1.290 74 A CA -0.229 51.873 52.037 0.109 0.000 0.928 74 A CB 0.016 19.096 19.000 0.133 0.000 1.066 74 A HN 0.519 nan 8.150 nan 0.000 0.516 75 R N 0.182 120.744 120.500 0.104 0.000 2.075 75 R HA -0.069 4.271 4.340 0.001 0.000 0.232 75 R C 0.076 176.456 176.300 0.133 0.000 1.126 75 R CA 1.382 57.549 56.100 0.110 0.000 0.963 75 R CB -0.036 30.307 30.300 0.072 0.000 0.858 75 R HN 0.282 nan 8.270 nan 0.000 0.435 76 D N 0.402 120.857 120.400 0.091 0.000 2.370 76 D HA 0.063 4.703 4.640 0.001 0.000 0.230 76 D C -0.475 175.839 176.300 0.024 0.000 1.143 76 D CA 0.089 54.127 54.000 0.064 0.000 0.834 76 D CB 0.276 41.093 40.800 0.029 0.000 0.944 76 D HN -0.116 nan 8.370 nan 0.000 0.504 77 V N 2.902 122.849 119.914 0.056 0.000 2.540 77 V HA -0.017 4.104 4.120 0.001 0.000 0.297 77 V C 1.240 177.147 176.094 -0.311 0.000 1.024 77 V CA 0.475 62.709 62.300 -0.109 0.000 1.105 77 V CB 0.504 32.304 31.823 -0.039 0.000 0.938 77 V HN 0.346 nan 8.190 nan 0.000 0.482 78 N N 3.467 121.867 118.700 -0.500 0.000 2.036 78 N HA 0.063 4.803 4.740 0.001 0.000 0.228 78 N C -0.484 174.415 175.510 -1.019 0.000 1.368 78 N CA -0.009 52.690 53.050 -0.585 0.000 0.846 78 N CB 0.893 39.246 38.487 -0.223 0.000 1.145 78 N HN 0.425 nan 8.380 nan 0.000 0.502 79 V N 0.741 120.021 119.914 -1.056 0.000 2.715 79 V HA 0.637 4.758 4.120 0.001 0.000 0.310 79 V C -1.168 174.296 176.094 -1.050 0.000 1.054 79 V CA -0.757 60.967 62.300 -0.960 0.000 0.928 79 V CB 1.444 33.027 31.823 -0.400 0.000 1.007 79 V HN 0.031 nan 8.190 nan 0.000 0.437 80 F N 4.209 124.090 119.950 -0.114 0.000 2.814 80 F HA 0.478 5.006 4.527 0.001 0.000 0.326 80 F C 0.188 175.974 175.800 -0.024 0.000 1.159 80 F CA -0.371 57.575 58.000 -0.090 0.000 1.234 80 F CB 0.624 39.564 39.000 -0.099 0.000 1.016 80 F HN 0.479 nan 8.300 nan 0.000 0.510 81 C N 1.786 121.126 119.300 0.067 0.000 2.441 81 C HA 0.868 5.329 4.460 0.001 0.000 0.318 81 C C 0.039 175.087 174.990 0.098 0.000 1.222 81 C CA -0.453 58.611 59.018 0.077 0.000 1.474 81 C CB -0.043 27.692 27.740 -0.009 0.000 2.125 81 C HN 0.452 nan 8.230 nan 0.000 0.479 82 A N 8.666 131.579 122.820 0.155 0.000 2.294 82 A HA 0.674 4.994 4.320 0.001 0.000 0.316 82 A C -2.403 175.326 177.584 0.241 0.000 1.359 82 A CA -1.075 51.057 52.037 0.157 0.000 0.956 82 A CB 0.070 19.146 19.000 0.126 0.000 1.155 82 A HN 0.801 nan 8.150 nan 0.000 0.544 83 P HA -0.006 nan 4.420 nan 0.000 0.274 83 P C 0.450 177.902 177.300 0.254 0.000 1.231 83 P CA -0.120 63.184 63.100 0.340 0.000 0.790 83 P CB 0.656 32.477 31.700 0.202 0.000 0.951 84 Y N 2.280 122.667 120.300 0.146 0.000 2.096 84 Y HA -0.343 4.207 4.550 0.001 0.000 0.278 84 Y C 1.895 177.794 175.900 -0.001 0.000 1.192 84 Y CA 2.419 60.502 58.100 -0.027 0.000 1.143 84 Y CB -0.775 37.657 38.460 -0.047 0.000 0.963 84 Y HN 0.300 nan 8.280 nan 0.000 0.505 85 D N -0.220 120.245 120.400 0.108 0.000 2.221 85 D HA -0.164 4.476 4.640 0.001 0.000 0.204 85 D C 2.053 178.311 176.300 -0.071 0.000 0.982 85 D CA 1.356 55.361 54.000 0.008 0.000 0.857 85 D CB -0.204 40.645 40.800 0.082 0.000 0.934 85 D HN 0.382 nan 8.370 nan 0.000 0.475 86 L N -0.396 120.804 121.223 -0.038 0.000 2.121 86 L HA -0.063 4.277 4.340 0.001 0.000 0.200 86 L C 2.473 179.293 176.870 -0.084 0.000 1.077 86 L CA 0.492 55.312 54.840 -0.034 0.000 0.766 86 L CB -0.360 41.714 42.059 0.025 0.000 0.931 86 L HN -0.141 nan 8.230 nan 0.000 0.452 87 V N 0.890 120.740 119.914 -0.108 0.000 2.380 87 V HA -0.365 3.755 4.120 0.001 0.000 0.251 87 V C 2.494 178.456 176.094 -0.220 0.000 1.063 87 V CA 2.278 64.487 62.300 -0.150 0.000 1.055 87 V CB -1.079 30.648 31.823 -0.161 0.000 0.657 87 V HN 0.624 nan 8.190 nan 0.000 0.455 88 K N 1.259 121.451 120.400 -0.347 0.000 2.283 88 K HA -0.173 4.147 4.320 0.001 0.000 0.202 88 K C 1.828 178.310 176.600 -0.197 0.000 1.048 88 K CA 1.830 57.897 56.287 -0.366 0.000 0.948 88 K CB -0.566 31.567 32.500 -0.611 0.000 0.742 88 K HN 0.609 nan 8.250 nan 0.000 0.458 89 T N -2.027 112.440 114.554 -0.145 0.000 3.065 89 T HA 0.141 4.491 4.350 0.001 0.000 0.252 89 T C 0.679 175.351 174.700 -0.046 0.000 1.099 89 T CA -0.206 61.849 62.100 -0.075 0.000 1.063 89 T CB -0.011 68.823 68.868 -0.056 0.000 0.948 89 T HN 0.291 nan 8.240 nan 0.000 0.506 90 M N 2.048 121.609 119.600 -0.066 0.000 2.457 90 M HA 0.298 4.779 4.480 0.001 0.000 0.186 90 M C 0.492 176.732 176.300 -0.100 0.000 0.962 90 M CA -0.610 54.659 55.300 -0.052 0.000 0.909 90 M CB 1.188 33.791 32.600 0.004 0.000 2.798 90 M HN 0.145 nan 8.290 nan 0.000 0.412 91 R N 1.646 122.060 120.500 -0.143 0.000 2.341 91 R HA 0.014 4.354 4.340 0.001 0.000 0.213 91 R C 1.008 177.130 176.300 -0.296 0.000 1.082 91 R CA 1.431 57.407 56.100 -0.205 0.000 1.017 91 R CB -0.429 29.750 30.300 -0.202 0.000 0.860 91 R HN 0.633 nan 8.270 nan 0.000 0.473 92 A N 1.234 123.882 122.820 -0.286 0.000 2.119 92 A HA -0.025 4.296 4.320 0.001 0.000 0.217 92 A C 2.063 179.384 177.584 -0.438 0.000 1.153 92 A CA 1.057 52.820 52.037 -0.456 0.000 0.692 92 A CB -0.281 18.561 19.000 -0.265 0.000 0.799 92 A HN 0.405 nan 8.150 nan 0.000 0.458 93 S N -0.069 115.475 115.700 -0.260 0.000 2.423 93 S HA -0.235 4.236 4.470 0.001 0.000 0.238 93 S C 1.684 176.064 174.600 -0.366 0.000 1.028 93 S CA 1.497 59.535 58.200 -0.270 0.000 1.000 93 S CB -0.511 62.651 63.200 -0.062 0.000 0.797 93 S HN 0.618 nan 8.310 nan 0.000 0.487 94 I N 0.827 121.189 120.570 -0.346 0.000 2.502 94 I HA -0.159 4.012 4.170 0.001 0.000 0.258 94 I C 1.541 177.539 176.117 -0.198 0.000 1.172 94 I CA 0.998 62.124 61.300 -0.289 0.000 1.430 94 I CB -0.365 37.388 38.000 -0.411 0.000 1.086 94 I HN 0.381 nan 8.210 nan 0.000 0.440 95 W N 0.632 121.670 121.300 -0.437 0.000 2.611 95 W HA -0.004 4.656 4.660 0.001 0.000 0.251 95 W C 2.443 178.771 176.519 -0.318 0.000 1.265 95 W CA 0.918 58.032 57.345 -0.385 0.000 1.295 95 W CB -1.135 28.020 29.460 -0.507 0.000 1.129 95 W HN 0.315 nan 8.180 nan 0.000 0.630 96 A N -0.149 122.580 122.820 -0.151 0.000 1.930 96 A HA -0.159 4.162 4.320 0.001 0.000 0.217 96 A C 1.974 179.653 177.584 0.158 0.000 1.175 96 A CA 1.305 53.409 52.037 0.112 0.000 0.627 96 A CB -0.829 18.268 19.000 0.162 0.000 0.815 96 A HN 0.142 nan 8.150 nan 0.000 0.443 97 L N 0.323 121.616 121.223 0.116 0.000 1.978 97 L HA -0.169 4.172 4.340 0.001 0.000 0.218 97 L C 2.443 179.402 176.870 0.149 0.000 1.075 97 L CA 2.583 57.501 54.840 0.130 0.000 0.767 97 L CB -1.275 40.846 42.059 0.103 0.000 0.890 97 L HN 0.338 nan 8.230 nan 0.000 0.434 98 G N -0.836 108.060 108.800 0.160 0.000 2.545 98 G HA2 -0.262 3.699 3.960 0.001 0.000 0.217 98 G HA3 -0.262 3.699 3.960 0.001 0.000 0.217 98 G C -0.586 174.395 174.900 0.136 0.000 1.218 98 G CA 1.091 46.275 45.100 0.141 0.000 0.787 98 G HN 0.411 nan 8.290 nan 0.000 0.571 99 P HA -0.072 nan 4.420 nan 0.000 0.215 99 P C 2.175 179.607 177.300 0.220 0.000 1.157 99 P CA 0.813 64.014 63.100 0.168 0.000 0.874 99 P CB -0.182 31.641 31.700 0.205 0.000 0.790 100 L N -1.142 120.244 121.223 0.272 0.000 2.013 100 L HA -0.179 4.162 4.340 0.001 0.000 0.212 100 L C 2.338 179.372 176.870 0.274 0.000 1.073 100 L CA 1.585 56.644 54.840 0.366 0.000 0.753 100 L CB -1.168 41.075 42.059 0.307 0.000 0.890 100 L HN -0.104 nan 8.230 nan 0.000 0.432 101 V N -0.266 119.745 119.914 0.161 0.000 2.453 101 V HA -0.196 3.925 4.120 0.001 0.000 0.247 101 V C 2.683 178.814 176.094 0.062 0.000 1.048 101 V CA 1.540 63.895 62.300 0.092 0.000 1.049 101 V CB -0.768 31.099 31.823 0.073 0.000 0.672 101 V HN 0.456 nan 8.190 nan 0.000 0.457 102 A N 0.114 122.973 122.820 0.064 0.000 1.898 102 A HA -0.210 4.110 4.320 0.001 0.000 0.216 102 A C 2.427 179.991 177.584 -0.034 0.000 1.181 102 A CA 2.059 54.107 52.037 0.019 0.000 0.620 102 A CB -0.393 18.622 19.000 0.024 0.000 0.819 102 A HN 0.488 nan 8.150 nan 0.000 0.442 103 R N -2.310 118.157 120.500 -0.054 0.000 2.105 103 R HA 0.138 4.478 4.340 0.001 0.000 0.214 103 R C 0.892 176.930 176.300 -0.437 0.000 1.091 103 R CA 0.926 56.855 56.100 -0.285 0.000 1.007 103 R CB -0.036 30.008 30.300 -0.428 0.000 0.912 103 R HN 0.456 nan 8.270 nan 0.000 0.450 104 F N -0.653 119.279 119.950 -0.030 0.000 2.678 104 F HA 0.394 4.921 4.527 0.001 0.000 0.305 104 F C 1.358 177.037 175.800 -0.202 0.000 1.090 104 F CA 0.390 58.310 58.000 -0.133 0.000 1.272 104 F CB 1.300 40.145 39.000 -0.258 0.000 1.060 104 F HN 0.295 nan 8.300 nan 0.000 0.576 105 G N 1.017 109.818 108.800 0.001 0.000 2.189 105 G HA2 -0.276 3.684 3.960 0.001 0.000 0.267 105 G HA3 -0.276 3.684 3.960 0.001 0.000 0.267 105 G C 0.096 174.964 174.900 -0.055 0.000 0.975 105 G CA 0.590 45.672 45.100 -0.031 0.000 0.644 105 G HN 0.514 nan 8.290 nan 0.000 0.537 106 Q N -1.685 118.058 119.800 -0.095 0.000 2.511 106 Q HA 0.718 5.058 4.340 0.001 0.000 0.289 106 Q C -0.383 175.597 176.000 -0.033 0.000 1.021 106 Q CA -0.734 55.008 55.803 -0.101 0.000 0.785 106 Q CB 2.030 30.652 28.738 -0.193 0.000 1.472 106 Q HN 1.527 nan 8.270 nan 0.000 0.411 107 G N 0.822 109.643 108.800 0.036 0.000 2.658 107 G HA2 0.452 4.412 3.960 0.001 0.000 0.301 107 G HA3 0.452 4.412 3.960 0.001 0.000 0.301 107 G C -2.051 172.916 174.900 0.111 0.000 1.481 107 G CA -0.627 44.542 45.100 0.115 0.000 0.931 107 G HN 0.354 nan 8.290 nan 0.000 0.573 108 Q N 0.265 120.146 119.800 0.135 0.000 2.320 108 Q HA 0.637 4.977 4.340 0.001 0.000 0.268 108 Q C -0.486 175.641 176.000 0.212 0.000 1.023 108 Q CA -0.624 55.266 55.803 0.145 0.000 0.744 108 Q CB 2.757 31.531 28.738 0.060 0.000 1.246 108 Q HN 0.486 nan 8.270 nan 0.000 0.462 109 V N 1.185 121.234 119.914 0.224 0.000 2.540 109 V HA 0.497 4.617 4.120 0.001 0.000 0.302 109 V C -0.077 176.113 176.094 0.161 0.000 1.035 109 V CA -0.920 61.497 62.300 0.195 0.000 0.873 109 V CB 2.154 34.022 31.823 0.075 0.000 0.992 109 V HN 0.779 nan 8.190 nan 0.000 0.428 110 S N 4.815 120.542 115.700 0.046 0.000 2.537 110 S HA 0.167 4.638 4.470 0.001 0.000 0.286 110 S C -0.121 174.374 174.600 -0.176 0.000 1.299 110 S CA -0.415 57.596 58.200 -0.315 0.000 1.067 110 S CB 0.104 63.097 63.200 -0.345 0.000 0.864 110 S HN 0.604 nan 8.310 nan 0.000 0.494 111 L N 7.364 128.486 121.223 -0.168 0.000 2.433 111 L HA 0.358 4.698 4.340 0.001 0.000 0.275 111 L C -2.074 174.730 176.870 -0.110 0.000 1.128 111 L CA -1.401 53.372 54.840 -0.111 0.000 0.875 111 L CB 0.248 42.261 42.059 -0.075 0.000 1.171 111 L HN 0.557 nan 8.230 nan 0.000 0.463 112 P HA 0.166 nan 4.420 nan 0.000 0.268 112 P C 0.156 177.404 177.300 -0.086 0.000 1.205 112 P CA -0.126 62.896 63.100 -0.130 0.000 0.771 112 P CB 0.740 32.344 31.700 -0.160 0.000 0.858 113 G N 1.473 110.230 108.800 -0.072 0.000 2.773 113 G HA2 0.504 4.465 3.960 0.001 0.000 0.186 113 G HA3 0.504 4.465 3.960 0.001 0.000 0.186 113 G C -0.018 174.857 174.900 -0.042 0.000 1.411 113 G CA -0.481 44.597 45.100 -0.036 0.000 1.054 113 G HN 0.618 nan 8.290 nan 0.000 0.579 114 G N -1.645 107.140 108.800 -0.026 0.000 2.432 114 G HA2 0.410 4.371 3.960 0.001 0.000 0.257 114 G HA3 0.410 4.371 3.960 0.001 0.000 0.257 114 G C -0.495 174.381 174.900 -0.040 0.000 1.238 114 G CA 0.016 45.100 45.100 -0.026 0.000 0.838 114 G HN 0.619 nan 8.290 nan 0.000 0.547 115 C N 1.849 121.121 119.300 -0.048 0.000 2.529 115 C HA 0.667 5.128 4.460 0.001 0.000 0.329 115 C C 2.047 176.998 174.990 -0.065 0.000 1.194 115 C CA 0.145 59.121 59.018 -0.070 0.000 1.779 115 C CB 1.202 28.880 27.740 -0.104 0.000 2.322 115 C HN 0.962 nan 8.230 nan 0.000 0.500 116 T N 1.057 115.565 114.554 -0.077 0.000 3.055 116 T HA -0.086 4.264 4.350 0.001 0.000 0.265 116 T C 1.375 176.025 174.700 -0.083 0.000 1.111 116 T CA 1.486 63.545 62.100 -0.068 0.000 1.118 116 T CB -0.340 68.488 68.868 -0.067 0.000 0.909 116 T HN 0.819 nan 8.240 nan 0.000 0.501 117 I N -1.412 119.075 120.570 -0.139 0.000 3.419 117 I HA 0.540 4.711 4.170 0.001 0.000 0.286 117 I C 0.945 177.013 176.117 -0.080 0.000 1.268 117 I CA 0.135 61.334 61.300 -0.169 0.000 1.414 117 I CB -0.466 37.315 38.000 -0.365 0.000 1.074 117 I HN 0.454 nan 8.210 nan 0.000 0.457 118 G N 1.020 109.797 108.800 -0.037 0.000 2.357 118 G HA2 0.340 4.300 3.960 0.001 0.000 0.289 118 G HA3 0.340 4.300 3.960 0.001 0.000 0.289 118 G C -1.089 173.843 174.900 0.052 0.000 1.302 118 G CA -0.430 44.696 45.100 0.043 0.000 0.936 118 G HN 0.493 nan 8.290 nan 0.000 0.513 119 A N -0.017 122.847 122.820 0.074 0.000 2.492 119 A HA 0.636 4.957 4.320 0.001 0.000 0.254 119 A C 0.775 178.408 177.584 0.082 0.000 1.091 119 A CA 0.363 52.434 52.037 0.057 0.000 0.768 119 A CB 0.043 19.071 19.000 0.047 0.000 1.028 119 A HN 0.628 nan 8.150 nan 0.000 0.498 120 R N 2.984 123.512 120.500 0.047 0.000 2.701 120 R HA 0.210 4.551 4.340 0.001 0.000 0.281 120 R C -2.646 173.658 176.300 0.005 0.000 1.367 120 R CA -1.051 55.079 56.100 0.050 0.000 1.510 120 R CB 0.667 30.986 30.300 0.032 0.000 1.306 120 R HN 0.668 nan 8.270 nan 0.000 0.682 121 P HA 0.047 nan 4.420 nan 0.000 0.270 121 P C 0.687 177.988 177.300 0.002 0.000 1.223 121 P CA -0.073 63.026 63.100 -0.002 0.000 0.785 121 P CB 1.109 32.816 31.700 0.013 0.000 0.923 122 V N -2.537 117.368 119.914 -0.016 0.000 2.988 122 V HA 0.088 4.209 4.120 0.001 0.000 0.356 122 V C 1.316 177.468 176.094 0.096 0.000 1.380 122 V CA 0.079 62.383 62.300 0.007 0.000 1.184 122 V CB -0.490 31.189 31.823 -0.240 0.000 1.204 122 V HN 0.533 nan 8.190 nan 0.000 0.530 123 D N 1.418 121.859 120.400 0.069 0.000 2.158 123 D HA -0.281 4.359 4.640 0.001 0.000 0.197 123 D C 1.742 178.089 176.300 0.079 0.000 0.995 123 D CA 1.752 55.788 54.000 0.060 0.000 0.846 123 D CB -0.076 40.746 40.800 0.036 0.000 0.941 123 D HN 0.547 nan 8.370 nan 0.000 0.456 124 L N -0.111 121.170 121.223 0.096 0.000 2.141 124 L HA -0.108 4.232 4.340 0.001 0.000 0.209 124 L C 2.808 179.703 176.870 0.041 0.000 1.094 124 L CA 0.872 55.740 54.840 0.047 0.000 0.763 124 L CB -0.569 41.494 42.059 0.006 0.000 0.908 124 L HN 0.137 nan 8.230 nan 0.000 0.437 125 H N -0.065 119.014 119.070 0.016 0.000 2.299 125 H HA -0.122 4.435 4.556 0.001 0.000 0.302 125 H C 2.454 177.799 175.328 0.028 0.000 1.078 125 H CA 1.690 57.756 56.048 0.030 0.000 1.323 125 H CB 0.073 29.848 29.762 0.021 0.000 1.381 125 H HN 0.287 nan 8.280 nan 0.000 0.498 126 I N 0.387 121.057 120.570 0.166 0.000 2.127 126 I HA -0.308 3.862 4.170 0.001 0.000 0.241 126 I C 2.932 179.086 176.117 0.063 0.000 1.075 126 I CA 1.326 62.682 61.300 0.092 0.000 1.334 126 I CB -0.336 37.703 38.000 0.064 0.000 1.040 126 I HN 0.168 nan 8.210 nan 0.000 0.405 127 S N 0.780 116.510 115.700 0.051 0.000 2.370 127 S HA -0.174 4.297 4.470 0.001 0.000 0.226 127 S C 2.108 176.721 174.600 0.022 0.000 1.033 127 S CA 1.780 59.998 58.200 0.029 0.000 1.011 127 S CB -0.759 62.453 63.200 0.020 0.000 0.852 127 S HN 0.575 nan 8.310 nan 0.000 0.457 128 G N 1.260 110.073 108.800 0.020 0.000 2.418 128 G HA2 -0.069 3.891 3.960 0.001 0.000 0.217 128 G HA3 -0.069 3.891 3.960 0.001 0.000 0.217 128 G C 1.462 176.375 174.900 0.022 0.000 1.158 128 G CA 0.829 45.934 45.100 0.009 0.000 0.771 128 G HN 0.522 nan 8.290 nan 0.000 0.545 129 L N -0.052 121.196 121.223 0.040 0.000 2.056 129 L HA -0.026 4.315 4.340 0.001 0.000 0.207 129 L C 2.878 179.768 176.870 0.034 0.000 1.078 129 L CA 1.099 55.965 54.840 0.044 0.000 0.749 129 L CB -0.383 41.714 42.059 0.063 0.000 0.901 129 L HN 0.292 nan 8.230 nan 0.000 0.433 130 E N -0.302 119.917 120.200 0.032 0.000 2.110 130 E HA -0.285 4.066 4.350 0.001 0.000 0.193 130 E C 2.155 178.766 176.600 0.019 0.000 0.988 130 E CA 0.993 57.408 56.400 0.025 0.000 0.804 130 E CB -0.019 29.695 29.700 0.023 0.000 0.745 130 E HN 0.458 nan 8.360 nan 0.000 0.458 131 Q N 0.126 119.936 119.800 0.017 0.000 2.291 131 Q HA -0.038 4.303 4.340 0.001 0.000 0.205 131 Q C 1.598 177.608 176.000 0.015 0.000 0.970 131 Q CA 0.530 56.340 55.803 0.013 0.000 0.876 131 Q CB 0.229 28.971 28.738 0.005 0.000 0.935 131 Q HN 0.273 nan 8.270 nan 0.000 0.455 132 L N -1.248 119.986 121.223 0.017 0.000 2.611 132 L HA 0.175 4.516 4.340 0.001 0.000 0.229 132 L C 0.957 177.837 176.870 0.016 0.000 1.137 132 L CA 0.504 55.355 54.840 0.017 0.000 0.901 132 L CB 0.274 42.344 42.059 0.019 0.000 1.098 132 L HN 0.451 nan 8.230 nan 0.000 0.456 133 G N -0.342 108.467 108.800 0.016 0.000 2.179 133 G HA2 -0.234 3.727 3.960 0.001 0.000 0.220 133 G HA3 -0.234 3.727 3.960 0.001 0.000 0.220 133 G C 0.399 175.307 174.900 0.014 0.000 0.990 133 G CA -0.068 45.040 45.100 0.013 0.000 0.646 133 G HN 0.451 nan 8.290 nan 0.000 0.517 134 A N 0.146 122.977 122.820 0.019 0.000 2.351 134 A HA 0.700 5.021 4.320 0.001 0.000 0.257 134 A C 0.581 178.177 177.584 0.021 0.000 1.087 134 A CA 1.091 53.141 52.037 0.021 0.000 0.798 134 A CB 0.476 19.494 19.000 0.030 0.000 1.033 134 A HN 0.733 nan 8.150 nan 0.000 0.488 135 T N 2.323 116.889 114.554 0.020 0.000 2.795 135 T HA 0.574 4.925 4.350 0.001 0.000 0.282 135 T C -0.314 174.401 174.700 0.025 0.000 0.980 135 T CA 0.142 62.254 62.100 0.020 0.000 1.012 135 T CB 0.273 69.149 68.868 0.015 0.000 0.936 135 T HN 0.417 nan 8.240 nan 0.000 0.457 136 I N 3.268 123.855 120.570 0.028 0.000 2.498 136 I HA 0.492 4.663 4.170 0.001 0.000 0.290 136 I C -0.194 175.943 176.117 0.033 0.000 1.032 136 I CA -0.874 60.446 61.300 0.034 0.000 1.073 136 I CB 2.028 40.051 38.000 0.039 0.000 1.251 136 I HN 0.368 nan 8.210 nan 0.000 0.426 137 K N 5.007 125.429 120.400 0.038 0.000 2.482 137 K HA 0.647 4.967 4.320 0.001 0.000 0.257 137 K C -1.611 175.018 176.600 0.048 0.000 0.969 137 K CA -0.968 55.341 56.287 0.037 0.000 0.842 137 K CB 3.172 35.691 32.500 0.031 0.000 1.359 137 K HN 0.280 nan 8.250 nan 0.000 0.441 138 L N 1.711 122.961 121.223 0.045 0.000 2.316 138 L HA 0.372 4.713 4.340 0.001 0.000 0.280 138 L C -1.338 175.566 176.870 0.058 0.000 1.006 138 L CA 0.209 55.081 54.840 0.054 0.000 0.836 138 L CB 1.119 43.199 42.059 0.034 0.000 1.221 138 L HN 0.567 nan 8.230 nan 0.000 0.418 139 E N 3.796 124.049 120.200 0.089 0.000 2.272 139 E HA 0.355 4.705 4.350 0.001 0.000 0.269 139 E C -0.572 176.113 176.600 0.142 0.000 0.877 139 E CA -0.600 55.853 56.400 0.088 0.000 0.755 139 E CB 1.552 31.296 29.700 0.072 0.000 1.192 139 E HN 0.624 nan 8.360 nan 0.000 0.422 140 E N 0.977 121.241 120.200 0.107 0.000 2.660 140 E HA -0.330 4.021 4.350 0.001 0.000 0.260 140 E C 0.654 177.336 176.600 0.137 0.000 1.122 140 E CA 0.510 56.991 56.400 0.135 0.000 0.755 140 E CB -1.302 28.510 29.700 0.186 0.000 1.345 140 E HN 1.066 nan 8.360 nan 0.000 0.421 141 G N -1.225 107.602 108.800 0.045 0.000 2.176 141 G HA2 -0.357 3.603 3.960 0.001 0.000 0.253 141 G HA3 -0.357 3.603 3.960 0.001 0.000 0.253 141 G C -0.181 174.614 174.900 -0.174 0.000 0.979 141 G CA 0.453 45.502 45.100 -0.084 0.000 0.641 141 G HN 0.318 nan 8.290 nan 0.000 0.530 142 Y N -0.342 119.975 120.300 0.028 0.000 2.330 142 Y HA 0.512 5.063 4.550 0.001 0.000 0.336 142 Y C 0.683 176.598 175.900 0.025 0.000 1.036 142 Y CA -0.399 57.721 58.100 0.033 0.000 1.125 142 Y CB 2.058 40.541 38.460 0.037 0.000 1.194 142 Y HN 0.356 nan 8.280 nan 0.000 0.469 143 V N 5.076 125.075 119.914 0.141 0.000 2.389 143 V HA 0.331 4.451 4.120 0.001 0.000 0.264 143 V C -0.663 175.503 176.094 0.121 0.000 1.049 143 V CA -0.573 61.786 62.300 0.098 0.000 0.932 143 V CB 0.038 31.890 31.823 0.049 0.000 1.011 143 V HN 0.705 nan 8.190 nan 0.000 0.475 144 K N 6.380 126.841 120.400 0.101 0.000 2.316 144 K HA 0.746 5.066 4.320 0.001 0.000 0.267 144 K C -0.244 176.392 176.600 0.059 0.000 1.025 144 K CA -0.212 56.125 56.287 0.083 0.000 0.896 144 K CB 1.873 34.414 32.500 0.069 0.000 1.124 144 K HN 0.890 nan 8.250 nan 0.000 0.451 145 A N 1.940 124.795 122.820 0.057 0.000 2.337 145 A HA 0.759 5.080 4.320 0.001 0.000 0.331 145 A C -0.563 177.039 177.584 0.028 0.000 1.137 145 A CA -0.603 51.461 52.037 0.046 0.000 0.807 145 A CB 1.124 20.158 19.000 0.057 0.000 1.250 145 A HN 0.691 nan 8.150 nan 0.000 0.468 146 S N -0.491 115.220 115.700 0.019 0.000 2.537 146 S HA 0.671 5.141 4.470 0.001 0.000 0.271 146 S C -1.398 173.204 174.600 0.004 0.000 1.148 146 S CA -0.521 57.681 58.200 0.003 0.000 0.868 146 S CB 1.134 64.333 63.200 -0.003 0.000 1.115 146 S HN 2.061 nan 8.310 nan 0.000 0.461 147 V N 1.174 121.085 119.914 -0.004 0.000 2.777 147 V HA 0.529 4.649 4.120 0.001 0.000 0.306 147 V C -1.707 174.381 176.094 -0.010 0.000 1.112 147 V CA -0.531 61.767 62.300 -0.003 0.000 0.917 147 V CB 1.966 33.790 31.823 0.001 0.000 1.018 147 V HN 1.102 nan 8.190 nan 0.000 0.426 148 D N 4.952 125.348 120.400 -0.007 0.000 2.359 148 D HA 0.562 5.203 4.640 0.001 0.000 0.250 148 D C 0.688 176.981 176.300 -0.010 0.000 1.264 148 D CA 2.189 56.183 54.000 -0.009 0.000 0.911 148 D CB 0.539 41.336 40.800 -0.005 0.000 1.056 148 D HN 1.315 nan 8.370 nan 0.000 0.499 149 G N 4.149 112.941 108.800 -0.015 0.000 2.545 149 G HA2 -0.189 3.771 3.960 0.001 0.000 0.240 149 G HA3 -0.189 3.771 3.960 0.001 0.000 0.240 149 G C -0.359 174.529 174.900 -0.021 0.000 1.172 149 G CA -0.083 45.006 45.100 -0.017 0.000 0.949 149 G HN 0.717 nan 8.290 nan 0.000 0.574 150 R N -0.293 120.196 120.500 -0.019 0.000 2.902 150 R HA 0.807 5.147 4.340 0.001 0.000 0.258 150 R C 0.100 176.394 176.300 -0.011 0.000 1.071 150 R CA -1.064 55.024 56.100 -0.020 0.000 1.024 150 R CB 1.217 31.501 30.300 -0.027 0.000 1.184 150 R HN 0.511 nan 8.270 nan 0.000 0.492 151 L N 0.883 122.102 121.223 -0.007 0.000 2.472 151 L HA 0.272 4.613 4.340 0.001 0.000 0.260 151 L C 0.328 177.197 176.870 -0.001 0.000 1.209 151 L CA -0.106 54.734 54.840 0.000 0.000 0.817 151 L CB 0.236 42.299 42.059 0.006 0.000 1.106 151 L HN 0.436 nan 8.230 nan 0.000 0.479 152 K N 0.621 121.023 120.400 0.004 0.000 2.323 152 K HA 0.362 4.682 4.320 0.001 0.000 0.259 152 K C -0.128 176.477 176.600 0.009 0.000 0.947 152 K CA -0.660 55.629 56.287 0.004 0.000 0.819 152 K CB 1.805 34.308 32.500 0.005 0.000 1.109 152 K HN 0.751 nan 8.250 nan 0.000 0.429 153 G N 1.346 110.151 108.800 0.008 0.000 2.368 153 G HA2 0.308 4.269 3.960 0.001 0.000 0.233 153 G HA3 0.308 4.269 3.960 0.001 0.000 0.233 153 G C -0.506 174.409 174.900 0.024 0.000 1.267 153 G CA -0.043 45.065 45.100 0.014 0.000 0.873 153 G HN 0.633 nan 8.290 nan 0.000 0.539 154 A N 1.515 124.358 122.820 0.038 0.000 2.609 154 A HA 0.642 4.963 4.320 0.001 0.000 0.291 154 A C -0.772 176.879 177.584 0.112 0.000 1.096 154 A CA -0.711 51.362 52.037 0.060 0.000 0.684 154 A CB 1.128 20.153 19.000 0.042 0.000 1.282 154 A HN 0.915 nan 8.150 nan 0.000 0.412 155 H N 1.379 120.448 119.070 -0.002 0.000 2.761 155 H HA 0.530 5.086 4.556 0.001 0.000 0.284 155 H C -1.049 174.278 175.328 -0.002 0.000 1.105 155 H CA -0.155 55.892 56.048 -0.002 0.000 1.352 155 H CB 0.147 29.908 29.762 -0.002 0.000 1.423 155 H HN 0.444 nan 8.280 nan 0.000 0.464 156 I N 6.489 126.983 120.570 -0.127 0.000 2.355 156 I HA 0.131 4.301 4.170 0.001 0.000 0.288 156 I C -0.374 175.613 176.117 -0.216 0.000 0.999 156 I CA -0.892 60.321 61.300 -0.145 0.000 1.163 156 I CB 1.780 39.746 38.000 -0.057 0.000 1.316 156 I HN 0.263 nan 8.210 nan 0.000 0.454 157 V N 6.929 126.707 119.914 -0.227 0.000 2.350 157 V HA 0.331 4.452 4.120 0.001 0.000 0.276 157 V C 0.521 176.556 176.094 -0.098 0.000 1.028 157 V CA -0.512 61.679 62.300 -0.181 0.000 0.860 157 V CB 1.294 33.003 31.823 -0.190 0.000 0.990 157 V HN 0.645 nan 8.190 nan 0.000 0.453 158 M N 3.073 122.629 119.600 -0.073 0.000 2.162 158 M HA 0.201 4.681 4.480 0.001 0.000 0.356 158 M C 1.121 177.397 176.300 -0.039 0.000 1.303 158 M CA -0.111 55.159 55.300 -0.050 0.000 1.116 158 M CB 0.662 33.236 32.600 -0.043 0.000 1.632 158 M HN 0.625 nan 8.290 nan 0.000 0.469 159 D N 3.105 123.487 120.400 -0.031 0.000 2.104 159 D HA -0.094 4.547 4.640 0.001 0.000 0.194 159 D C 0.332 176.620 176.300 -0.021 0.000 0.994 159 D CA 1.518 55.504 54.000 -0.023 0.000 0.830 159 D CB 0.550 41.340 40.800 -0.016 0.000 0.959 159 D HN 0.624 nan 8.370 nan 0.000 0.452 160 K N -1.048 119.339 120.400 -0.021 0.000 2.409 160 K HA 0.496 4.817 4.320 0.001 0.000 0.252 160 K C -0.796 175.790 176.600 -0.023 0.000 1.036 160 K CA -0.893 55.381 56.287 -0.021 0.000 0.871 160 K CB 1.925 34.413 32.500 -0.021 0.000 1.374 160 K HN -0.337 nan 8.250 nan 0.000 0.459 161 V N 1.475 121.375 119.914 -0.024 0.000 2.455 161 V HA 0.210 4.331 4.120 0.001 0.000 0.273 161 V C -0.371 175.709 176.094 -0.022 0.000 1.045 161 V CA 0.040 62.328 62.300 -0.020 0.000 0.976 161 V CB 0.796 32.610 31.823 -0.015 0.000 0.993 161 V HN 0.786 nan 8.190 nan 0.000 0.475 162 S N 4.170 119.861 115.700 -0.014 0.000 2.677 162 S HA 0.387 4.857 4.470 0.001 0.000 0.283 162 S C 0.471 175.085 174.600 0.024 0.000 1.159 162 S CA -0.605 57.593 58.200 -0.003 0.000 1.001 162 S CB 1.899 65.091 63.200 -0.013 0.000 1.032 162 S HN 0.305 nan 8.310 nan 0.000 0.487 163 V N 5.344 125.296 119.914 0.063 0.000 2.295 163 V HA -0.021 4.099 4.120 0.001 0.000 0.246 163 V C 2.696 178.922 176.094 0.221 0.000 1.049 163 V CA 2.620 64.996 62.300 0.126 0.000 1.024 163 V CB -1.242 30.672 31.823 0.152 0.000 0.648 163 V HN 0.962 nan 8.190 nan 0.000 0.447 164 G N -0.488 108.451 108.800 0.232 0.000 2.446 164 G HA2 -0.225 3.735 3.960 0.001 0.000 0.217 164 G HA3 -0.225 3.735 3.960 0.001 0.000 0.217 164 G C 1.751 176.708 174.900 0.095 0.000 1.168 164 G CA 1.136 46.452 45.100 0.361 0.000 0.771 164 G HN 0.619 nan 8.290 nan 0.000 0.551 165 A N -0.024 122.561 122.820 -0.392 0.000 1.929 165 A HA 0.050 4.371 4.320 0.001 0.000 0.216 165 A C 2.511 179.981 177.584 -0.188 0.000 1.176 165 A CA 2.306 53.955 52.037 -0.647 0.000 0.628 165 A CB -0.883 17.826 19.000 -0.485 0.000 0.816 165 A HN 0.286 nan 8.150 nan 0.000 0.444 166 T N -0.242 114.272 114.554 -0.067 0.000 2.720 166 T HA -0.148 4.202 4.350 0.001 0.000 0.268 166 T C 1.862 176.562 174.700 0.000 0.000 1.037 166 T CA 1.727 63.815 62.100 -0.020 0.000 1.144 166 T CB -0.399 68.472 68.868 0.005 0.000 0.864 166 T HN 0.152 nan 8.240 nan 0.000 0.444 167 V N 1.152 121.098 119.914 0.053 0.000 2.307 167 V HA -0.177 3.944 4.120 0.001 0.000 0.245 167 V C 2.784 178.871 176.094 -0.011 0.000 1.045 167 V CA 1.971 64.260 62.300 -0.018 0.000 1.024 167 V CB -1.054 30.692 31.823 -0.128 0.000 0.651 167 V HN 0.517 nan 8.190 nan 0.000 0.449 168 T N 0.424 115.055 114.554 0.128 0.000 2.635 168 T HA -0.205 4.145 4.350 0.001 0.000 0.267 168 T C 1.773 176.509 174.700 0.059 0.000 1.040 168 T CA 2.165 64.359 62.100 0.155 0.000 1.156 168 T CB -0.306 68.705 68.868 0.239 0.000 0.863 168 T HN 0.352 nan 8.240 nan 0.000 0.430 169 I N 0.523 121.101 120.570 0.014 0.000 2.202 169 I HA -0.147 4.024 4.170 0.001 0.000 0.242 169 I C 2.590 178.708 176.117 0.003 0.000 1.091 169 I CA 1.189 62.493 61.300 0.007 0.000 1.368 169 I CB -0.387 37.605 38.000 -0.013 0.000 1.058 169 I HN 0.251 nan 8.210 nan 0.000 0.410 170 M N 0.165 119.759 119.600 -0.009 0.000 2.080 170 M HA -0.288 4.193 4.480 0.001 0.000 0.260 170 M C 2.497 178.787 176.300 -0.017 0.000 1.068 170 M CA 2.052 57.343 55.300 -0.016 0.000 1.109 170 M CB -0.227 32.357 32.600 -0.026 0.000 1.342 170 M HN 0.370 nan 8.290 nan 0.000 0.405 171 C N 0.309 119.598 119.300 -0.019 0.000 2.446 171 C HA -0.043 4.417 4.460 0.001 0.000 0.277 171 C C 3.001 177.997 174.990 0.009 0.000 1.275 171 C CA 1.022 60.034 59.018 -0.011 0.000 1.727 171 C CB -1.471 26.260 27.740 -0.015 0.000 2.010 171 C HN 0.750 nan 8.230 nan 0.000 0.486 172 A N 0.353 123.187 122.820 0.023 0.000 1.972 172 A HA 0.076 4.397 4.320 0.001 0.000 0.219 172 A C 2.297 179.888 177.584 0.012 0.000 1.169 172 A CA 1.934 53.989 52.037 0.029 0.000 0.635 172 A CB -0.719 18.307 19.000 0.043 0.000 0.810 172 A HN 0.587 nan 8.150 nan 0.000 0.446 173 A N -0.173 122.650 122.820 0.005 0.000 2.066 173 A HA -0.028 4.292 4.320 0.001 0.000 0.218 173 A C 2.295 179.873 177.584 -0.010 0.000 1.157 173 A CA 2.078 54.115 52.037 -0.000 0.000 0.670 173 A CB -1.300 17.701 19.000 0.001 0.000 0.804 173 A HN 0.787 nan 8.150 nan 0.000 0.453 174 T N -2.105 112.439 114.554 -0.016 0.000 2.977 174 T HA -0.003 4.347 4.350 0.001 0.000 0.271 174 T C 1.053 175.734 174.700 -0.032 0.000 1.105 174 T CA 1.366 63.448 62.100 -0.029 0.000 1.116 174 T CB -0.353 68.490 68.868 -0.040 0.000 0.878 174 T HN 0.314 nan 8.240 nan 0.000 0.509 175 L N 0.449 121.656 121.223 -0.027 0.000 3.066 175 L HA 0.602 4.943 4.340 0.001 0.000 0.265 175 L C 0.930 177.784 176.870 -0.028 0.000 1.232 175 L CA -0.655 54.164 54.840 -0.035 0.000 1.031 175 L CB -0.025 42.007 42.059 -0.045 0.000 1.379 175 L HN 0.280 nan 8.230 nan 0.000 0.563 176 A N -0.145 122.663 122.820 -0.019 0.000 2.256 176 A HA 0.481 4.801 4.320 0.001 0.000 0.318 176 A C -0.087 177.489 177.584 -0.014 0.000 1.103 176 A CA -0.412 51.617 52.037 -0.013 0.000 0.860 176 A CB 0.581 19.578 19.000 -0.005 0.000 1.182 176 A HN 0.257 nan 8.150 nan 0.000 0.501 177 E N 0.134 120.327 120.200 -0.011 0.000 2.070 177 E HA 0.440 4.790 4.350 0.001 0.000 0.282 177 E C 0.649 177.245 176.600 -0.008 0.000 1.104 177 E CA 0.956 57.349 56.400 -0.011 0.000 0.876 177 E CB 0.392 30.086 29.700 -0.010 0.000 1.055 177 E HN 1.234 nan 8.360 nan 0.000 0.401 178 G N 2.803 111.597 108.800 -0.010 0.000 2.512 178 G HA2 -0.206 3.755 3.960 0.001 0.000 0.210 178 G HA3 -0.206 3.755 3.960 0.001 0.000 0.210 178 G C -0.378 174.519 174.900 -0.006 0.000 1.295 178 G CA -0.706 44.389 45.100 -0.008 0.000 0.934 178 G HN 0.439 nan 8.290 nan 0.000 0.554 179 T N 1.399 115.950 114.554 -0.004 0.000 2.794 179 T HA 0.669 5.020 4.350 0.001 0.000 0.280 179 T C 0.128 174.835 174.700 0.012 0.000 0.987 179 T CA 0.361 62.460 62.100 -0.001 0.000 0.993 179 T CB 1.408 70.272 68.868 -0.008 0.000 0.939 179 T HN 0.740 nan 8.240 nan 0.000 0.449 180 T N 3.898 118.462 114.554 0.017 0.000 2.859 180 T HA 0.644 4.995 4.350 0.001 0.000 0.281 180 T C -0.180 174.551 174.700 0.051 0.000 1.005 180 T CA -0.526 61.595 62.100 0.035 0.000 1.025 180 T CB 0.612 69.494 68.868 0.024 0.000 0.977 180 T HN 0.418 nan 8.240 nan 0.000 0.458 181 I N 3.409 124.039 120.570 0.099 0.000 2.468 181 I HA 0.397 4.567 4.170 0.001 0.000 0.284 181 I C -0.672 175.515 176.117 0.117 0.000 1.038 181 I CA -0.701 60.681 61.300 0.137 0.000 1.083 181 I CB 1.528 39.666 38.000 0.230 0.000 1.223 181 I HN 0.468 nan 8.210 nan 0.000 0.443 182 I N 5.516 126.117 120.570 0.052 0.000 2.304 182 I HA 0.321 4.491 4.170 0.001 0.000 0.291 182 I C 0.096 176.216 176.117 0.005 0.000 1.018 182 I CA -0.283 61.020 61.300 0.006 0.000 1.260 182 I CB 0.967 38.966 38.000 -0.003 0.000 1.390 182 I HN 0.547 nan 8.210 nan 0.000 0.475 183 E N 4.871 125.049 120.200 -0.036 0.000 2.222 183 E HA 0.278 4.629 4.350 0.001 0.000 0.272 183 E C 0.126 176.707 176.600 -0.032 0.000 0.982 183 E CA -0.460 55.925 56.400 -0.024 0.000 0.842 183 E CB 0.984 30.650 29.700 -0.056 0.000 1.144 183 E HN 0.599 nan 8.360 nan 0.000 0.397 184 N N 0.769 119.460 118.700 -0.015 0.000 2.754 184 N HA -0.232 4.508 4.740 0.001 0.000 0.248 184 N C -1.158 174.345 175.510 -0.011 0.000 1.093 184 N CA 0.081 53.123 53.050 -0.014 0.000 0.699 184 N CB -0.525 37.948 38.487 -0.024 0.000 1.016 184 N HN 0.429 nan 8.380 nan 0.000 0.552 185 A N 0.339 123.157 122.820 -0.003 0.000 2.351 185 A HA 0.681 5.001 4.320 0.001 0.000 0.257 185 A C 0.773 178.364 177.584 0.011 0.000 1.087 185 A CA 0.337 52.374 52.037 0.000 0.000 0.798 185 A CB 0.730 19.733 19.000 0.004 0.000 1.033 185 A HN 0.560 nan 8.150 nan 0.000 0.488 186 A N 0.843 123.671 122.820 0.015 0.000 2.477 186 A HA 0.450 4.770 4.320 0.001 0.000 0.246 186 A C 0.740 178.349 177.584 0.042 0.000 1.078 186 A CA -0.187 51.868 52.037 0.030 0.000 0.770 186 A CB -0.031 18.991 19.000 0.035 0.000 1.011 186 A HN 0.770 nan 8.150 nan 0.000 0.494 187 R N 0.656 121.198 120.500 0.070 0.000 2.393 187 R HA 0.157 4.498 4.340 0.001 0.000 0.244 187 R C -0.402 175.960 176.300 0.104 0.000 0.920 187 R CA -0.088 56.069 56.100 0.096 0.000 1.076 187 R CB 0.059 30.433 30.300 0.124 0.000 1.119 187 R HN 0.767 nan 8.270 nan 0.000 0.524 188 E N 1.297 121.518 120.200 0.036 0.000 2.568 188 E HA -0.062 4.289 4.350 0.001 0.000 0.262 188 E C -1.577 174.921 176.600 -0.170 0.000 0.961 188 E CA -1.030 55.294 56.400 -0.127 0.000 0.945 188 E CB 0.422 30.089 29.700 -0.056 0.000 0.924 188 E HN -0.054 nan 8.360 nan 0.000 0.467 189 P HA -0.205 nan 4.420 nan 0.000 0.217 189 P C 0.349 177.598 177.300 -0.085 0.000 1.151 189 P CA 1.322 64.315 63.100 -0.180 0.000 0.849 189 P CB 0.271 31.839 31.700 -0.219 0.000 0.787 190 E N -1.145 119.006 120.200 -0.081 0.000 2.268 190 E HA -0.093 4.258 4.350 0.001 0.000 0.195 190 E C 1.942 178.519 176.600 -0.040 0.000 0.995 190 E CA 0.704 57.080 56.400 -0.040 0.000 0.836 190 E CB -0.763 28.927 29.700 -0.017 0.000 0.763 190 E HN 0.306 nan 8.360 nan 0.000 0.491 191 I N -0.286 120.263 120.570 -0.035 0.000 2.406 191 I HA -0.182 3.988 4.170 0.001 0.000 0.249 191 I C 1.845 177.947 176.117 -0.025 0.000 1.122 191 I CA 0.460 61.741 61.300 -0.032 0.000 1.431 191 I CB -0.007 37.988 38.000 -0.009 0.000 1.087 191 I HN 0.024 nan 8.210 nan 0.000 0.424 192 V N 0.761 120.668 119.914 -0.012 0.000 2.295 192 V HA -0.321 3.799 4.120 0.001 0.000 0.246 192 V C 2.125 178.234 176.094 0.025 0.000 1.049 192 V CA 2.209 64.513 62.300 0.008 0.000 1.024 192 V CB -0.577 31.255 31.823 0.016 0.000 0.648 192 V HN 0.384 nan 8.190 nan 0.000 0.447 193 D N -0.272 120.148 120.400 0.034 0.000 2.117 193 D HA -0.146 4.495 4.640 0.001 0.000 0.197 193 D C 2.277 178.567 176.300 -0.016 0.000 0.987 193 D CA 1.769 55.825 54.000 0.092 0.000 0.829 193 D CB -0.155 40.708 40.800 0.106 0.000 0.961 193 D HN 0.390 nan 8.370 nan 0.000 0.460 194 T N -0.332 114.186 114.554 -0.060 0.000 2.746 194 T HA -0.124 4.226 4.350 0.001 0.000 0.267 194 T C 1.905 176.574 174.700 -0.051 0.000 1.039 194 T CA 1.408 63.453 62.100 -0.091 0.000 1.142 194 T CB -0.404 68.382 68.868 -0.135 0.000 0.866 194 T HN 0.215 nan 8.240 nan 0.000 0.444 195 A N 2.438 125.230 122.820 -0.047 0.000 1.877 195 A HA -0.154 4.167 4.320 0.001 0.000 0.216 195 A C 2.246 179.795 177.584 -0.059 0.000 1.186 195 A CA 1.539 53.550 52.037 -0.043 0.000 0.620 195 A CB -0.647 18.338 19.000 -0.024 0.000 0.822 195 A HN 0.380 nan 8.150 nan 0.000 0.443 196 N N -0.899 117.779 118.700 -0.036 0.000 2.166 196 N HA -0.141 4.600 4.740 0.001 0.000 0.186 196 N C 1.370 176.765 175.510 -0.192 0.000 1.019 196 N CA 1.491 54.537 53.050 -0.007 0.000 0.856 196 N CB -0.635 37.960 38.487 0.178 0.000 0.993 196 N HN 0.576 nan 8.380 nan 0.000 0.426 197 F N 1.590 121.102 119.950 -0.730 0.000 2.102 197 F HA -0.037 4.490 4.527 0.001 0.000 0.298 197 F C 2.002 177.587 175.800 -0.357 0.000 1.105 197 F CA 1.026 58.490 58.000 -0.894 0.000 1.239 197 F CB -0.394 38.041 39.000 -0.941 0.000 0.991 197 F HN -0.068 nan 8.300 nan 0.000 0.474 198 L N 0.044 121.055 121.223 -0.354 0.000 2.042 198 L HA -0.250 4.091 4.340 0.001 0.000 0.210 198 L C 2.546 179.245 176.870 -0.285 0.000 1.076 198 L CA 1.580 56.213 54.840 -0.345 0.000 0.749 198 L CB -0.716 41.258 42.059 -0.142 0.000 0.893 198 L HN 0.205 nan 8.230 nan 0.000 0.432 199 I N -0.613 119.844 120.570 -0.187 0.000 2.208 199 I HA -0.296 3.874 4.170 0.001 0.000 0.245 199 I C 2.453 178.489 176.117 -0.135 0.000 1.097 199 I CA 1.473 62.700 61.300 -0.122 0.000 1.363 199 I CB -0.447 37.517 38.000 -0.061 0.000 1.051 199 I HN 0.256 nan 8.210 nan 0.000 0.413 200 T N 1.209 115.663 114.554 -0.167 0.000 2.803 200 T HA -0.130 4.220 4.350 0.001 0.000 0.269 200 T C 1.719 176.305 174.700 -0.191 0.000 1.052 200 T CA 1.164 63.187 62.100 -0.130 0.000 1.136 200 T CB -0.214 68.615 68.868 -0.064 0.000 0.864 200 T HN 0.294 nan 8.240 nan 0.000 0.467 201 L N -0.060 120.972 121.223 -0.318 0.000 2.599 201 L HA 0.255 4.596 4.340 0.001 0.000 0.230 201 L C 1.858 178.629 176.870 -0.166 0.000 1.141 201 L CA 0.467 55.143 54.840 -0.274 0.000 0.877 201 L CB -0.177 41.646 42.059 -0.393 0.000 1.009 201 L HN 0.489 nan 8.230 nan 0.000 0.447 202 G N -0.414 108.303 108.800 -0.139 0.000 2.159 202 G HA2 -0.141 3.819 3.960 0.001 0.000 0.170 202 G HA3 -0.141 3.819 3.960 0.001 0.000 0.170 202 G C 0.258 175.106 174.900 -0.087 0.000 1.007 202 G CA -0.182 44.862 45.100 -0.094 0.000 0.672 202 G HN 0.413 nan 8.290 nan 0.000 0.507 203 A N -0.082 122.674 122.820 -0.107 0.000 2.287 203 A HA 0.754 5.075 4.320 0.001 0.000 0.273 203 A C 0.412 177.958 177.584 -0.063 0.000 1.091 203 A CA 0.027 52.013 52.037 -0.085 0.000 0.817 203 A CB 0.531 19.472 19.000 -0.098 0.000 1.069 203 A HN 0.345 nan 8.150 nan 0.000 0.492 204 K N 1.040 121.411 120.400 -0.048 0.000 2.473 204 K HA 0.557 4.877 4.320 0.001 0.000 0.246 204 K C -1.521 175.062 176.600 -0.028 0.000 1.011 204 K CA 0.323 56.589 56.287 -0.035 0.000 0.984 204 K CB 0.978 33.461 32.500 -0.028 0.000 1.250 204 K HN 0.573 nan 8.250 nan 0.000 0.454 205 I N 1.459 122.013 120.570 -0.027 0.000 2.608 205 I HA 0.328 4.499 4.170 0.001 0.000 0.295 205 I C -0.354 175.756 176.117 -0.011 0.000 1.049 205 I CA -0.683 60.605 61.300 -0.020 0.000 1.063 205 I CB 2.308 40.293 38.000 -0.026 0.000 1.248 205 I HN 0.515 nan 8.210 nan 0.000 0.424 206 S N 2.308 118.004 115.700 -0.005 0.000 2.556 206 S HA 0.794 5.265 4.470 0.001 0.000 0.271 206 S C 0.176 174.779 174.600 0.005 0.000 1.135 206 S CA -0.033 58.167 58.200 -0.000 0.000 0.858 206 S CB 1.981 65.181 63.200 -0.001 0.000 1.114 206 S HN 1.349 nan 8.310 nan 0.000 0.468 207 G N 1.001 109.806 108.800 0.008 0.000 2.175 207 G HA2 -0.245 3.716 3.960 0.001 0.000 0.244 207 G HA3 -0.245 3.716 3.960 0.001 0.000 0.244 207 G C 0.129 175.038 174.900 0.014 0.000 0.982 207 G CA 0.123 45.230 45.100 0.012 0.000 0.641 207 G HN 1.308 nan 8.290 nan 0.000 0.527 208 Q N 0.335 120.142 119.800 0.012 0.000 2.283 208 Q HA 0.366 4.706 4.340 0.001 0.000 0.301 208 Q C 1.212 177.225 176.000 0.022 0.000 1.063 208 Q CA 1.124 56.934 55.803 0.013 0.000 0.952 208 Q CB 0.731 29.474 28.738 0.008 0.000 1.166 208 Q HN 1.875 nan 8.270 nan 0.000 0.381 209 G N 2.136 110.953 108.800 0.028 0.000 2.195 209 G HA2 -0.305 3.655 3.960 0.001 0.000 0.246 209 G HA3 -0.305 3.655 3.960 0.001 0.000 0.246 209 G C 0.250 175.178 174.900 0.046 0.000 0.984 209 G CA 0.499 45.626 45.100 0.046 0.000 0.633 209 G HN 1.189 nan 8.290 nan 0.000 0.525 210 T N -1.933 112.640 114.554 0.032 0.000 2.919 210 T HA 0.558 4.908 4.350 0.001 0.000 0.282 210 T C 1.079 175.794 174.700 0.024 0.000 1.020 210 T CA 0.675 62.791 62.100 0.027 0.000 0.994 210 T CB 1.682 70.562 68.868 0.020 0.000 1.180 210 T HN 0.197 nan 8.240 nan 0.000 0.566 211 D N -0.807 119.604 120.400 0.019 0.000 2.371 211 D HA -0.012 4.629 4.640 0.001 0.000 0.221 211 D C 0.770 177.080 176.300 0.017 0.000 0.986 211 D CA 0.369 54.379 54.000 0.016 0.000 0.899 211 D CB -0.098 40.709 40.800 0.012 0.000 0.902 211 D HN 0.586 nan 8.370 nan 0.000 0.530 212 R N 0.449 120.962 120.500 0.021 0.000 2.388 212 R HA 0.510 4.851 4.340 0.001 0.000 0.314 212 R C -1.229 175.085 176.300 0.024 0.000 0.959 212 R CA -0.551 55.565 56.100 0.028 0.000 0.851 212 R CB 0.652 30.973 30.300 0.036 0.000 1.168 212 R HN -0.019 nan 8.270 nan 0.000 0.472 213 I N 4.824 125.408 120.570 0.023 0.000 2.404 213 I HA 0.350 4.521 4.170 0.001 0.000 0.293 213 I C -0.563 175.567 176.117 0.021 0.000 0.992 213 I CA -1.227 60.083 61.300 0.017 0.000 1.149 213 I CB 2.079 40.084 38.000 0.009 0.000 1.315 213 I HN 0.277 nan 8.210 nan 0.000 0.446 214 V N 7.466 127.389 119.914 0.014 0.000 2.384 214 V HA 0.438 4.558 4.120 0.001 0.000 0.287 214 V C -0.280 175.816 176.094 0.003 0.000 1.020 214 V CA -0.440 61.868 62.300 0.013 0.000 0.850 214 V CB 1.720 33.547 31.823 0.008 0.000 0.987 214 V HN 0.429 nan 8.190 nan 0.000 0.436 215 I N 4.012 124.584 120.570 0.003 0.000 2.389 215 I HA 0.438 4.608 4.170 0.001 0.000 0.288 215 I C -0.112 176.001 176.117 -0.007 0.000 0.999 215 I CA -0.424 60.872 61.300 -0.006 0.000 1.129 215 I CB 1.840 39.836 38.000 -0.007 0.000 1.288 215 I HN 0.618 nan 8.210 nan 0.000 0.444 216 E N 4.650 124.842 120.200 -0.014 0.000 2.081 216 E HA 0.562 4.912 4.350 0.001 0.000 0.276 216 E C 0.224 176.813 176.600 -0.020 0.000 0.950 216 E CA -0.488 55.902 56.400 -0.015 0.000 0.776 216 E CB 1.030 30.720 29.700 -0.017 0.000 1.094 216 E HN 0.755 nan 8.360 nan 0.000 0.402 217 G N 2.935 111.725 108.800 -0.018 0.000 2.380 217 G HA2 0.361 4.321 3.960 0.001 0.000 0.242 217 G HA3 0.361 4.321 3.960 0.001 0.000 0.242 217 G C -0.109 174.775 174.900 -0.026 0.000 1.298 217 G CA 0.142 45.228 45.100 -0.022 0.000 0.878 217 G HN 0.578 nan 8.290 nan 0.000 0.542 218 V N -0.142 119.752 119.914 -0.033 0.000 3.113 218 V HA 0.683 4.804 4.120 0.001 0.000 0.316 218 V C 0.886 176.957 176.094 -0.039 0.000 1.125 218 V CA -0.208 62.071 62.300 -0.035 0.000 1.026 218 V CB 2.082 33.881 31.823 -0.041 0.000 1.080 218 V HN 0.886 nan 8.190 nan 0.000 0.444 219 E N 1.316 121.493 120.200 -0.039 0.000 2.385 219 E HA 0.180 4.530 4.350 0.001 0.000 0.194 219 E C 0.605 177.174 176.600 -0.052 0.000 1.013 219 E CA 0.050 56.425 56.400 -0.042 0.000 0.866 219 E CB 0.325 30.004 29.700 -0.035 0.000 0.832 219 E HN 0.819 nan 8.360 nan 0.000 0.500 220 R N 0.016 120.484 120.500 -0.052 0.000 2.664 220 R HA 0.445 4.786 4.340 0.001 0.000 0.266 220 R C -1.786 174.478 176.300 -0.060 0.000 1.046 220 R CA -0.833 55.231 56.100 -0.060 0.000 0.885 220 R CB 0.835 31.102 30.300 -0.055 0.000 1.254 220 R HN 0.020 nan 8.270 nan 0.000 0.465 221 L N 1.148 122.331 121.223 -0.066 0.000 2.342 221 L HA 0.647 4.987 4.340 0.001 0.000 0.271 221 L C 0.781 177.611 176.870 -0.066 0.000 1.008 221 L CA -0.589 54.205 54.840 -0.077 0.000 0.818 221 L CB 2.156 44.158 42.059 -0.094 0.000 1.296 221 L HN 0.982 nan 8.230 nan 0.000 0.427 222 G N 0.368 109.123 108.800 -0.075 0.000 3.022 222 G HA2 0.670 4.631 3.960 0.001 0.000 0.157 222 G HA3 0.670 4.631 3.960 0.001 0.000 0.157 222 G C -0.178 174.691 174.900 -0.052 0.000 1.468 222 G CA 0.137 45.206 45.100 -0.052 0.000 1.058 222 G HN 0.751 nan 8.290 nan 0.000 0.581 223 G N -2.917 105.862 108.800 -0.035 0.000 3.251 223 G HA2 0.747 4.708 3.960 0.001 0.000 0.248 223 G HA3 0.747 4.708 3.960 0.001 0.000 0.248 223 G C -0.211 174.681 174.900 -0.014 0.000 1.320 223 G CA 0.043 45.137 45.100 -0.010 0.000 0.982 223 G HN 1.857 nan 8.290 nan 0.000 0.575 224 G N -2.724 106.099 108.800 0.037 0.000 2.350 224 G HA2 0.486 4.446 3.960 0.001 0.000 0.282 224 G HA3 0.486 4.446 3.960 0.001 0.000 0.282 224 G C -1.994 172.976 174.900 0.116 0.000 1.314 224 G CA 0.113 45.246 45.100 0.054 0.000 0.915 224 G HN 1.358 nan 8.290 nan 0.000 0.499 225 V N 0.330 120.323 119.914 0.132 0.000 2.638 225 V HA 0.761 4.881 4.120 0.001 0.000 0.306 225 V C -1.282 174.956 176.094 0.238 0.000 1.052 225 V CA -0.576 61.818 62.300 0.156 0.000 0.885 225 V CB 1.665 33.541 31.823 0.089 0.000 0.999 225 V HN 0.989 nan 8.190 nan 0.000 0.424 226 Y N 3.861 124.226 120.300 0.108 0.000 2.470 226 Y HA 0.595 5.146 4.550 0.001 0.000 0.341 226 Y C -0.302 175.621 175.900 0.038 0.000 1.021 226 Y CA -0.776 57.394 58.100 0.118 0.000 1.025 226 Y CB 1.727 40.368 38.460 0.301 0.000 1.266 226 Y HN 0.619 nan 8.280 nan 0.000 0.448 227 R N 4.968 125.198 120.500 -0.449 0.000 2.294 227 R HA 0.627 4.968 4.340 0.001 0.000 0.319 227 R C -1.507 174.626 176.300 -0.278 0.000 0.984 227 R CA -0.560 55.371 56.100 -0.281 0.000 0.861 227 R CB 0.998 31.158 30.300 -0.234 0.000 1.104 227 R HN 0.597 nan 8.270 nan 0.000 0.451 228 V N 6.523 126.407 119.914 -0.050 0.000 2.614 228 V HA 0.080 4.200 4.120 0.001 0.000 0.291 228 V C 0.922 177.010 176.094 -0.011 0.000 1.049 228 V CA -0.381 61.938 62.300 0.032 0.000 1.038 228 V CB 0.935 32.768 31.823 0.017 0.000 0.980 228 V HN 0.696 nan 8.190 nan 0.000 0.481 229 L N 5.317 126.551 121.223 0.018 0.000 2.474 229 L HA 0.477 4.818 4.340 0.001 0.000 0.259 229 L C -2.343 174.527 176.870 -0.001 0.000 1.232 229 L CA -1.388 53.452 54.840 -0.001 0.000 0.821 229 L CB -0.214 41.853 42.059 0.013 0.000 1.108 229 L HN 0.352 nan 8.230 nan 0.000 0.495 230 P HA 0.048 nan 4.420 nan 0.000 0.272 230 P C -1.215 176.093 177.300 0.013 0.000 1.223 230 P CA -0.096 63.011 63.100 0.012 0.000 0.784 230 P CB 0.394 32.105 31.700 0.019 0.000 0.923 231 D N 2.309 122.723 120.400 0.024 0.000 2.352 231 D HA 0.004 4.645 4.640 0.001 0.000 0.245 231 D C 1.357 177.675 176.300 0.030 0.000 1.224 231 D CA -0.102 53.908 54.000 0.017 0.000 0.879 231 D CB 0.580 41.390 40.800 0.018 0.000 1.057 231 D HN 0.338 nan 8.370 nan 0.000 0.491 232 R N 3.868 124.372 120.500 0.006 0.000 2.115 232 R HA -0.108 4.233 4.340 0.001 0.000 0.230 232 R C 1.416 177.727 176.300 0.018 0.000 1.111 232 R CA 0.520 56.626 56.100 0.011 0.000 0.976 232 R CB -0.127 30.162 30.300 -0.017 0.000 0.870 232 R HN 0.343 nan 8.270 nan 0.000 0.445 233 I N 1.886 122.456 120.570 0.001 0.000 2.286 233 I HA -0.144 4.027 4.170 0.001 0.000 0.245 233 I C 2.525 178.685 176.117 0.072 0.000 1.104 233 I CA 1.255 62.559 61.300 0.007 0.000 1.397 233 I CB -1.253 36.721 38.000 -0.042 0.000 1.072 233 I HN 0.337 nan 8.210 nan 0.000 0.417 234 E N 0.863 121.120 120.200 0.094 0.000 2.085 234 E HA -0.206 4.145 4.350 0.001 0.000 0.194 234 E C 2.051 178.796 176.600 0.242 0.000 0.994 234 E CA 2.052 58.584 56.400 0.219 0.000 0.801 234 E CB 0.166 30.029 29.700 0.273 0.000 0.743 234 E HN 0.419 nan 8.360 nan 0.000 0.453 235 T N -0.336 114.335 114.554 0.194 0.000 2.684 235 T HA -0.142 4.209 4.350 0.001 0.000 0.267 235 T C 1.747 176.547 174.700 0.166 0.000 1.036 235 T CA 1.289 63.508 62.100 0.198 0.000 1.148 235 T CB -0.662 68.280 68.868 0.123 0.000 0.863 235 T HN 0.398 nan 8.240 nan 0.000 0.436 236 G N 0.936 109.800 108.800 0.108 0.000 2.432 236 G HA2 -0.204 3.756 3.960 0.001 0.000 0.219 236 G HA3 -0.204 3.756 3.960 0.001 0.000 0.219 236 G C 1.697 176.631 174.900 0.057 0.000 1.135 236 G CA 1.400 46.559 45.100 0.099 0.000 0.767 236 G HN 0.463 nan 8.290 nan 0.000 0.550 237 T N 0.951 115.504 114.554 -0.002 0.000 2.777 237 T HA -0.050 4.301 4.350 0.001 0.000 0.266 237 T C 1.995 176.549 174.700 -0.244 0.000 1.040 237 T CA 0.941 62.944 62.100 -0.163 0.000 1.141 237 T CB -0.273 68.433 68.868 -0.271 0.000 0.868 237 T HN 0.228 nan 8.240 nan 0.000 0.444 238 F N 0.909 120.866 119.950 0.011 0.000 2.234 238 F HA 0.225 4.752 4.527 0.001 0.000 0.296 238 F C 2.063 177.854 175.800 -0.015 0.000 1.089 238 F CA 0.217 58.211 58.000 -0.011 0.000 1.343 238 F CB -0.738 38.265 39.000 0.005 0.000 1.040 238 F HN 0.060 nan 8.300 nan 0.000 0.498 239 L N -0.835 120.487 121.223 0.167 0.000 2.079 239 L HA -0.217 4.123 4.340 0.001 0.000 0.210 239 L C 2.345 179.222 176.870 0.013 0.000 1.081 239 L CA 0.774 55.669 54.840 0.092 0.000 0.752 239 L CB -0.779 41.338 42.059 0.097 0.000 0.896 239 L HN -0.028 nan 8.230 nan 0.000 0.433 240 V N -0.188 119.698 119.914 -0.047 0.000 2.427 240 V HA -0.242 3.879 4.120 0.001 0.000 0.248 240 V C 2.727 178.754 176.094 -0.112 0.000 1.051 240 V CA 1.558 63.762 62.300 -0.159 0.000 1.048 240 V CB -0.650 31.018 31.823 -0.258 0.000 0.666 240 V HN 0.471 nan 8.190 nan 0.000 0.456 241 A N 0.169 122.949 122.820 -0.067 0.000 1.917 241 A HA -0.229 4.092 4.320 0.001 0.000 0.219 241 A C 2.415 179.989 177.584 -0.016 0.000 1.182 241 A CA 2.445 54.459 52.037 -0.038 0.000 0.633 241 A CB -0.793 18.223 19.000 0.026 0.000 0.819 241 A HN 0.584 nan 8.150 nan 0.000 0.448 242 A N -0.427 122.397 122.820 0.007 0.000 1.873 242 A HA 0.233 4.554 4.320 0.001 0.000 0.215 242 A C 2.500 180.068 177.584 -0.028 0.000 1.186 242 A CA 1.936 53.971 52.037 -0.003 0.000 0.616 242 A CB -1.029 17.977 19.000 0.010 0.000 0.823 242 A HN 1.138 nan 8.150 nan 0.000 0.442 243 A N 0.394 123.188 122.820 -0.043 0.000 2.019 243 A HA -0.048 4.273 4.320 0.001 0.000 0.219 243 A C 2.037 179.587 177.584 -0.057 0.000 1.164 243 A CA 1.488 53.492 52.037 -0.053 0.000 0.644 243 A CB -0.769 18.186 19.000 -0.075 0.000 0.805 243 A HN 0.958 nan 8.150 nan 0.000 0.449 244 I N -2.976 117.554 120.570 -0.067 0.000 3.228 244 I HA 0.053 4.224 4.170 0.001 0.000 0.279 244 I C 1.616 177.709 176.117 -0.040 0.000 1.221 244 I CA 1.207 62.471 61.300 -0.060 0.000 1.458 244 I CB 0.024 37.979 38.000 -0.075 0.000 1.105 244 I HN 0.209 nan 8.210 nan 0.000 0.445 245 S N 0.711 116.390 115.700 -0.035 0.000 2.597 245 S HA 0.299 4.770 4.470 0.001 0.000 0.224 245 S C 0.848 175.436 174.600 -0.020 0.000 0.955 245 S CA -0.566 57.618 58.200 -0.025 0.000 0.933 245 S CB -0.288 62.898 63.200 -0.023 0.000 0.788 245 S HN 0.547 nan 8.310 nan 0.000 0.488 246 R N 0.214 120.702 120.500 -0.021 0.000 3.525 246 R HA -0.131 4.210 4.340 0.001 0.000 0.276 246 R C 0.682 176.970 176.300 -0.021 0.000 1.116 246 R CA 0.408 56.499 56.100 -0.016 0.000 0.745 246 R CB -2.373 27.924 30.300 -0.006 0.000 1.185 246 R HN 0.634 nan 8.270 nan 0.000 0.454 247 G N 0.327 109.111 108.800 -0.028 0.000 2.857 247 G HA2 0.617 4.577 3.960 0.001 0.000 0.217 247 G HA3 0.617 4.577 3.960 0.001 0.000 0.217 247 G C -0.770 174.102 174.900 -0.047 0.000 1.357 247 G CA -0.408 44.674 45.100 -0.030 0.000 1.033 247 G HN 0.074 nan 8.290 nan 0.000 0.571 248 K N -1.362 119.014 120.400 -0.040 0.000 2.542 248 K HA 0.654 4.974 4.320 0.001 0.000 0.259 248 K C -2.016 174.567 176.600 -0.028 0.000 0.932 248 K CA -0.696 55.562 56.287 -0.048 0.000 0.820 248 K CB 2.365 34.825 32.500 -0.066 0.000 1.345 248 K HN 0.461 nan 8.250 nan 0.000 0.432 249 I N 4.207 124.769 120.570 -0.014 0.000 2.841 249 I HA 0.441 4.612 4.170 0.001 0.000 0.298 249 I C -1.667 174.461 176.117 0.018 0.000 1.304 249 I CA -1.027 60.272 61.300 -0.003 0.000 1.019 249 I CB 1.672 39.682 38.000 0.017 0.000 1.282 249 I HN 0.590 nan 8.210 nan 0.000 0.432 250 I N 5.403 125.974 120.570 0.003 0.000 2.465 250 I HA 0.353 4.524 4.170 0.001 0.000 0.291 250 I C -0.710 175.429 176.117 0.038 0.000 1.014 250 I CA -0.550 60.772 61.300 0.037 0.000 1.093 250 I CB 1.416 39.395 38.000 -0.035 0.000 1.267 250 I HN 0.478 nan 8.210 nan 0.000 0.431 251 C N 6.130 125.494 119.300 0.107 0.000 2.303 251 C HA 0.565 5.025 4.460 0.001 0.000 0.326 251 C C 0.569 175.635 174.990 0.127 0.000 1.285 251 C CA -0.759 58.309 59.018 0.084 0.000 1.675 251 C CB 0.707 28.511 27.740 0.106 0.000 2.289 251 C HN 0.608 nan 8.230 nan 0.000 0.512 252 R N 2.549 123.090 120.500 0.068 0.000 2.668 252 R HA 0.353 4.693 4.340 0.001 0.000 0.279 252 R C -0.012 176.329 176.300 0.067 0.000 0.976 252 R CA -0.487 55.663 56.100 0.083 0.000 0.978 252 R CB 0.556 30.872 30.300 0.027 0.000 1.133 252 R HN 0.802 nan 8.270 nan 0.000 0.484 253 N N -0.910 117.837 118.700 0.079 0.000 2.756 253 N HA -0.177 4.563 4.740 0.001 0.000 0.248 253 N C -1.172 174.368 175.510 0.050 0.000 1.062 253 N CA 1.082 54.163 53.050 0.052 0.000 0.696 253 N CB -0.952 37.553 38.487 0.030 0.000 0.946 253 N HN 0.755 nan 8.380 nan 0.000 0.548 254 A N -0.081 122.776 122.820 0.061 0.000 2.288 254 A HA 0.760 5.080 4.320 0.001 0.000 0.328 254 A C 0.127 177.719 177.584 0.013 0.000 1.123 254 A CA -0.464 51.599 52.037 0.044 0.000 0.861 254 A CB 1.359 20.395 19.000 0.059 0.000 1.272 254 A HN 0.216 nan 8.150 nan 0.000 0.490 255 Q N 0.550 120.351 119.800 0.002 0.000 2.891 255 Q HA 0.326 4.667 4.340 0.001 0.000 0.242 255 Q C -2.314 173.673 176.000 -0.021 0.000 0.959 255 Q CA -1.745 54.049 55.803 -0.016 0.000 0.707 255 Q CB 1.288 30.021 28.738 -0.009 0.000 1.283 255 Q HN 0.419 nan 8.270 nan 0.000 0.480 256 P HA -0.201 nan 4.420 nan 0.000 0.216 256 P C 0.591 177.876 177.300 -0.026 0.000 1.150 256 P CA 1.569 64.637 63.100 -0.053 0.000 0.843 256 P CB 0.169 31.798 31.700 -0.118 0.000 0.787 257 D N -2.094 118.293 120.400 -0.023 0.000 2.384 257 D HA -0.112 4.529 4.640 0.001 0.000 0.222 257 D C 1.279 177.604 176.300 0.041 0.000 0.976 257 D CA 1.179 55.179 54.000 0.001 0.000 0.915 257 D CB -1.498 39.302 40.800 0.000 0.000 0.896 257 D HN 0.079 nan 8.370 nan 0.000 0.523 258 T N -0.550 114.027 114.554 0.038 0.000 3.081 258 T HA 0.221 4.572 4.350 0.001 0.000 0.255 258 T C 1.138 175.896 174.700 0.097 0.000 1.113 258 T CA 0.143 62.281 62.100 0.063 0.000 1.082 258 T CB 0.063 68.935 68.868 0.007 0.000 0.939 258 T HN 0.171 nan 8.240 nan 0.000 0.506 259 L N 0.224 121.481 121.223 0.056 0.000 3.358 259 L HA 0.260 4.600 4.340 0.001 0.000 0.301 259 L C 0.945 177.827 176.870 0.019 0.000 1.276 259 L CA -0.185 54.675 54.840 0.033 0.000 1.028 259 L CB 0.592 42.666 42.059 0.024 0.000 1.421 259 L HN -0.039 nan 8.230 nan 0.000 0.604 260 D N 1.625 122.035 120.400 0.016 0.000 2.127 260 D HA -0.264 4.377 4.640 0.001 0.000 0.190 260 D C 2.136 178.438 176.300 0.003 0.000 1.000 260 D CA 1.967 55.967 54.000 -0.000 0.000 0.839 260 D CB 0.134 40.923 40.800 -0.019 0.000 0.955 260 D HN 0.393 nan 8.370 nan 0.000 0.446 261 A N 0.572 123.385 122.820 -0.012 0.000 1.908 261 A HA -0.150 4.170 4.320 0.001 0.000 0.218 261 A C 2.623 180.237 177.584 0.051 0.000 1.181 261 A CA 1.564 53.611 52.037 0.015 0.000 0.627 261 A CB -0.811 18.199 19.000 0.017 0.000 0.818 261 A HN 0.169 nan 8.150 nan 0.000 0.445 262 V N 0.190 120.095 119.914 -0.014 0.000 2.295 262 V HA -0.253 3.867 4.120 0.001 0.000 0.246 262 V C 2.578 178.764 176.094 0.154 0.000 1.049 262 V CA 1.946 64.260 62.300 0.023 0.000 1.024 262 V CB -0.732 31.072 31.823 -0.032 0.000 0.648 262 V HN 0.573 nan 8.190 nan 0.000 0.447 263 L N 0.030 121.313 121.223 0.100 0.000 2.046 263 L HA -0.164 4.176 4.340 0.001 0.000 0.208 263 L C 2.760 179.692 176.870 0.102 0.000 1.077 263 L CA 1.612 56.514 54.840 0.103 0.000 0.747 263 L CB -0.903 41.189 42.059 0.055 0.000 0.896 263 L HN 0.371 nan 8.230 nan 0.000 0.432 264 A N -0.039 122.825 122.820 0.074 0.000 1.908 264 A HA -0.245 4.076 4.320 0.001 0.000 0.218 264 A C 2.293 179.924 177.584 0.078 0.000 1.181 264 A CA 1.866 53.938 52.037 0.058 0.000 0.627 264 A CB -0.361 18.658 19.000 0.032 0.000 0.818 264 A HN 0.173 nan 8.150 nan 0.000 0.445 265 K N -0.320 120.142 120.400 0.103 0.000 2.097 265 K HA 0.109 4.430 4.320 0.001 0.000 0.205 265 K C 1.750 178.500 176.600 0.249 0.000 1.050 265 K CA 0.887 57.243 56.287 0.116 0.000 0.938 265 K CB -0.453 32.045 32.500 -0.003 0.000 0.718 265 K HN 0.510 nan 8.250 nan 0.000 0.442 266 L N -0.026 121.381 121.223 0.306 0.000 2.056 266 L HA -0.161 4.180 4.340 0.001 0.000 0.207 266 L C 2.297 179.252 176.870 0.142 0.000 1.078 266 L CA 1.271 56.263 54.840 0.254 0.000 0.749 266 L CB -0.251 41.940 42.059 0.219 0.000 0.901 266 L HN 0.137 nan 8.230 nan 0.000 0.433 267 R N -0.052 120.515 120.500 0.113 0.000 2.091 267 R HA -0.176 4.165 4.340 0.001 0.000 0.238 267 R C 1.837 178.178 176.300 0.070 0.000 1.136 267 R CA 1.638 57.786 56.100 0.079 0.000 0.959 267 R CB -0.483 29.855 30.300 0.064 0.000 0.856 267 R HN 0.355 nan 8.270 nan 0.000 0.437 268 D N 0.518 120.960 120.400 0.069 0.000 2.218 268 D HA -0.115 4.525 4.640 0.001 0.000 0.204 268 D C 1.511 177.843 176.300 0.054 0.000 0.976 268 D CA 1.323 55.352 54.000 0.049 0.000 0.853 268 D CB -0.108 40.710 40.800 0.029 0.000 0.939 268 D HN 0.284 nan 8.370 nan 0.000 0.481 269 A N -0.513 122.356 122.820 0.081 0.000 2.208 269 A HA 0.402 4.723 4.320 0.001 0.000 0.209 269 A C 1.741 179.355 177.584 0.051 0.000 1.161 269 A CA 1.151 53.229 52.037 0.069 0.000 0.782 269 A CB 0.003 19.056 19.000 0.089 0.000 0.816 269 A HN 0.267 nan 8.150 nan 0.000 0.477 270 G N -2.502 106.331 108.800 0.056 0.000 2.154 270 G HA2 0.207 4.167 3.960 0.001 0.000 0.186 270 G HA3 0.207 4.167 3.960 0.001 0.000 0.186 270 G C 0.281 175.219 174.900 0.063 0.000 1.000 270 G CA 0.069 45.202 45.100 0.056 0.000 0.664 270 G HN 1.404 nan 8.290 nan 0.000 0.513 271 A N -0.051 122.804 122.820 0.059 0.000 2.322 271 A HA 0.622 4.942 4.320 0.001 0.000 0.269 271 A C -0.026 177.596 177.584 0.064 0.000 1.094 271 A CA 0.354 52.420 52.037 0.048 0.000 0.807 271 A CB 0.776 19.800 19.000 0.041 0.000 1.047 271 A HN 0.444 nan 8.150 nan 0.000 0.487 272 D N 1.357 121.787 120.400 0.051 0.000 2.373 272 D HA 0.504 5.145 4.640 0.001 0.000 0.227 272 D C -0.820 175.519 176.300 0.065 0.000 1.091 272 D CA 0.071 54.123 54.000 0.087 0.000 0.840 272 D CB 0.144 41.045 40.800 0.169 0.000 1.060 272 D HN 0.340 nan 8.370 nan 0.000 0.502 273 I N 3.018 123.634 120.570 0.076 0.000 2.465 273 I HA 0.340 4.511 4.170 0.001 0.000 0.291 273 I C 0.186 176.351 176.117 0.080 0.000 1.014 273 I CA -0.732 60.614 61.300 0.076 0.000 1.093 273 I CB 1.844 39.882 38.000 0.062 0.000 1.267 273 I HN 0.228 nan 8.210 nan 0.000 0.431 274 E N 5.084 125.353 120.200 0.115 0.000 2.312 274 E HA 0.634 4.984 4.350 0.001 0.000 0.267 274 E C -1.336 175.209 176.600 -0.092 0.000 0.894 274 E CA -0.861 55.592 56.400 0.088 0.000 0.773 274 E CB 3.421 33.268 29.700 0.245 0.000 1.241 274 E HN 0.398 nan 8.360 nan 0.000 0.432 275 V N -1.220 118.474 119.914 -0.365 0.000 2.735 275 V HA 0.889 5.009 4.120 0.001 0.000 0.310 275 V C 0.068 175.406 176.094 -1.259 0.000 1.061 275 V CA -0.474 61.368 62.300 -0.763 0.000 0.913 275 V CB 1.438 33.027 31.823 -0.389 0.000 1.005 275 V HN 0.746 nan 8.190 nan 0.000 0.428 276 G N 1.540 109.048 108.800 -2.153 0.000 2.736 276 G HA2 0.434 4.395 3.960 0.001 0.000 0.229 276 G HA3 0.434 4.395 3.960 0.001 0.000 0.229 276 G C 0.168 174.654 174.900 -0.690 0.000 1.380 276 G CA 0.187 44.381 45.100 -1.510 0.000 1.040 276 G HN 0.861 nan 8.290 nan 0.000 0.568 277 E N -0.680 119.329 120.200 -0.318 0.000 2.299 277 E HA -0.028 4.323 4.350 0.001 0.000 0.193 277 E C 0.212 176.747 176.600 -0.109 0.000 0.998 277 E CA 1.049 57.360 56.400 -0.149 0.000 0.851 277 E CB 0.295 29.974 29.700 -0.036 0.000 0.795 277 E HN 0.514 nan 8.360 nan 0.000 0.492 278 D N -0.675 119.682 120.400 -0.072 0.000 2.740 278 D HA 0.004 4.645 4.640 0.001 0.000 0.305 278 D C -0.386 175.999 176.300 0.142 0.000 1.583 278 D CA -0.473 53.545 54.000 0.030 0.000 0.790 278 D CB -0.884 39.961 40.800 0.076 0.000 1.187 278 D HN 0.168 nan 8.370 nan 0.000 0.447 279 W N 0.180 121.483 121.300 0.005 0.000 3.167 279 W HA 0.695 5.355 4.660 0.000 0.000 0.324 279 W C -2.001 174.525 176.519 0.011 0.000 1.230 279 W CA -1.308 56.040 57.345 0.004 0.000 1.184 279 W CB 0.534 29.993 29.460 -0.002 0.000 1.414 279 W HN -0.302 nan 8.180 nan 0.000 0.551 280 I N 3.004 123.754 120.570 0.301 0.000 2.582 280 I HA 0.346 4.516 4.170 0.001 0.000 0.292 280 I C 0.016 176.361 176.117 0.378 0.000 1.066 280 I CA -0.739 60.679 61.300 0.197 0.000 1.053 280 I CB 2.544 40.591 38.000 0.078 0.000 1.241 280 I HN 0.460 nan 8.210 nan 0.000 0.421 281 S N 6.700 122.639 115.700 0.399 0.000 2.532 281 S HA 0.861 5.331 4.470 0.001 0.000 0.301 281 S C -1.002 173.690 174.600 0.154 0.000 1.083 281 S CA -0.723 57.645 58.200 0.281 0.000 1.025 281 S CB 2.343 65.737 63.200 0.323 0.000 1.056 281 S HN 0.635 nan 8.310 nan 0.000 0.494 282 L N 1.961 123.233 121.223 0.083 0.000 2.464 282 L HA 0.670 5.011 4.340 0.001 0.000 0.266 282 L C -2.057 174.792 176.870 -0.035 0.000 0.965 282 L CA -0.263 54.597 54.840 0.033 0.000 0.833 282 L CB 1.992 44.075 42.059 0.039 0.000 1.296 282 L HN 0.841 nan 8.230 nan 0.000 0.405 283 D N 4.691 125.026 120.400 -0.108 0.000 2.757 283 D HA 0.331 4.972 4.640 0.001 0.000 0.249 283 D C 0.258 176.357 176.300 -0.335 0.000 1.168 283 D CA -0.442 53.393 54.000 -0.275 0.000 0.870 283 D CB 1.892 42.414 40.800 -0.462 0.000 1.411 283 D HN 0.475 nan 8.370 nan 0.000 0.525 284 M N 1.528 120.987 119.600 -0.234 0.000 2.541 284 M HA 0.028 4.508 4.480 0.001 0.000 0.252 284 M C 0.136 176.406 176.300 -0.050 0.000 1.125 284 M CA 0.255 55.486 55.300 -0.115 0.000 1.091 284 M CB -0.720 31.853 32.600 -0.046 0.000 1.420 284 M HN 0.479 nan 8.290 nan 0.000 0.486 285 H N 0.340 119.418 119.070 0.014 0.000 2.692 285 H HA -0.160 4.397 4.556 0.001 0.000 0.316 285 H C 1.380 176.713 175.328 0.009 0.000 1.176 285 H CA 0.920 56.975 56.048 0.012 0.000 1.142 285 H CB -2.226 27.544 29.762 0.014 0.000 1.475 285 H HN 0.657 nan 8.280 nan 0.000 0.423 286 G N -0.738 108.102 108.800 0.066 0.000 2.196 286 G HA2 -0.359 3.602 3.960 0.001 0.000 0.268 286 G HA3 -0.359 3.602 3.960 0.001 0.000 0.268 286 G C 0.492 175.416 174.900 0.040 0.000 0.975 286 G CA 0.883 46.010 45.100 0.044 0.000 0.648 286 G HN 0.405 nan 8.290 nan 0.000 0.538 287 K N 0.282 120.713 120.400 0.051 0.000 2.154 287 K HA 0.380 4.700 4.320 0.001 0.000 0.264 287 K C 0.744 177.358 176.600 0.023 0.000 1.008 287 K CA -0.731 55.582 56.287 0.043 0.000 0.937 287 K CB 1.049 33.585 32.500 0.060 0.000 1.002 287 K HN 0.465 nan 8.250 nan 0.000 0.469 288 R N 3.069 123.581 120.500 0.020 0.000 2.390 288 R HA 0.191 4.532 4.340 0.001 0.000 0.291 288 R C -2.046 174.263 176.300 0.014 0.000 1.070 288 R CA -1.266 54.841 56.100 0.012 0.000 1.014 288 R CB 0.476 30.784 30.300 0.013 0.000 1.007 288 R HN 0.333 nan 8.270 nan 0.000 0.466 289 P HA 0.049 nan 4.420 nan 0.000 0.272 289 P C -1.204 176.105 177.300 0.016 0.000 1.223 289 P CA 0.031 63.136 63.100 0.008 0.000 0.784 289 P CB 0.686 32.379 31.700 -0.011 0.000 0.923 290 K N 0.945 121.359 120.400 0.023 0.000 2.130 290 K HA 0.487 4.807 4.320 0.001 0.000 0.268 290 K C 0.219 176.832 176.600 0.021 0.000 0.983 290 K CA -0.660 55.641 56.287 0.023 0.000 0.893 290 K CB 1.652 34.166 32.500 0.025 0.000 1.066 290 K HN 0.540 nan 8.250 nan 0.000 0.450 291 A N 2.130 124.959 122.820 0.015 0.000 2.561 291 A HA 0.228 4.549 4.320 0.001 0.000 0.234 291 A C 0.393 177.969 177.584 -0.015 0.000 1.055 291 A CA -0.226 51.813 52.037 0.004 0.000 0.756 291 A CB -0.102 18.898 19.000 -0.001 0.000 0.986 291 A HN 0.535 nan 8.150 nan 0.000 0.505 292 V N 0.421 120.318 119.914 -0.029 0.000 3.126 292 V HA 0.654 4.774 4.120 0.001 0.000 0.314 292 V C -0.393 175.569 176.094 -0.221 0.000 1.138 292 V CA -1.271 60.978 62.300 -0.084 0.000 1.034 292 V CB 1.899 33.712 31.823 -0.015 0.000 1.075 292 V HN 0.874 nan 8.190 nan 0.000 0.442 293 N N 0.060 118.554 118.700 -0.344 0.000 2.372 293 N HA 0.768 5.509 4.740 0.001 0.000 0.291 293 N C -1.401 173.806 175.510 -0.505 0.000 1.024 293 N CA -0.548 52.120 53.050 -0.636 0.000 0.873 293 N CB 2.265 40.190 38.487 -0.936 0.000 1.206 293 N HN 0.614 nan 8.380 nan 0.000 0.486 294 V N 1.773 121.386 119.914 -0.502 0.000 2.789 294 V HA 0.482 4.603 4.120 0.001 0.000 0.311 294 V C -0.388 175.530 176.094 -0.292 0.000 1.073 294 V CA -0.732 61.265 62.300 -0.506 0.000 0.921 294 V CB 2.164 33.482 31.823 -0.842 0.000 1.009 294 V HN 0.625 nan 8.190 nan 0.000 0.426 295 R N 2.161 122.521 120.500 -0.234 0.000 2.409 295 R HA 0.489 4.830 4.340 0.001 0.000 0.313 295 R C -0.196 176.092 176.300 -0.020 0.000 0.953 295 R CA -0.302 55.761 56.100 -0.061 0.000 0.849 295 R CB 1.895 32.193 30.300 -0.003 0.000 1.171 295 R HN 0.975 nan 8.270 nan 0.000 0.458 296 T N 0.739 115.326 114.554 0.055 0.000 2.913 296 T HA 0.679 5.030 4.350 0.001 0.000 0.297 296 T C 0.038 174.789 174.700 0.085 0.000 1.029 296 T CA -0.378 61.815 62.100 0.155 0.000 1.104 296 T CB 1.573 70.543 68.868 0.169 0.000 0.964 296 T HN 0.641 nan 8.240 nan 0.000 0.532 297 A N 3.246 126.115 122.820 0.081 0.000 2.540 297 A HA 0.753 5.073 4.320 0.001 0.000 0.291 297 A C -3.130 174.469 177.584 0.024 0.000 1.083 297 A CA -1.687 50.367 52.037 0.028 0.000 0.650 297 A CB 0.256 19.269 19.000 0.021 0.000 1.292 297 A HN 0.656 nan 8.150 nan 0.000 0.435 298 P HA 0.244 nan 4.420 nan 0.000 0.268 298 P C -0.329 177.004 177.300 0.054 0.000 1.208 298 P CA 0.348 63.464 63.100 0.028 0.000 0.777 298 P CB 0.126 31.834 31.700 0.013 0.000 0.875 299 H N 3.708 122.771 119.070 -0.012 0.000 3.038 299 H HA -0.006 4.550 4.556 0.001 0.000 0.338 299 H C -1.274 174.050 175.328 -0.006 0.000 1.041 299 H CA -0.413 55.627 56.048 -0.012 0.000 1.394 299 H CB 0.208 29.963 29.762 -0.011 0.000 1.357 299 H HN 0.308 nan 8.280 nan 0.000 0.600 300 P HA 0.178 nan 4.420 nan 0.000 0.254 300 P C -0.475 176.583 177.300 -0.403 0.000 1.494 300 P CA 0.037 62.469 63.100 -1.114 0.000 0.961 300 P CB -0.062 31.140 31.700 -0.831 0.000 1.493 301 A N 0.446 123.164 122.820 -0.171 0.000 2.325 301 A HA 0.246 4.566 4.320 0.001 0.000 0.260 301 A C -0.209 177.388 177.584 0.021 0.000 1.133 301 A CA -0.441 51.571 52.037 -0.041 0.000 0.801 301 A CB -0.492 18.510 19.000 0.004 0.000 1.092 301 A HN 0.181 nan 8.150 nan 0.000 0.504 302 F N 1.215 121.117 119.950 -0.081 0.000 2.543 302 F HA 0.371 4.899 4.527 0.001 0.000 0.375 302 F C -1.969 173.805 175.800 -0.043 0.000 1.075 302 F CA -1.934 56.012 58.000 -0.090 0.000 1.225 302 F CB 0.573 39.478 39.000 -0.158 0.000 1.099 302 F HN 0.184 nan 8.300 nan 0.000 0.561 303 P HA 0.075 nan 4.420 nan 0.000 0.285 303 P C 0.443 177.750 177.300 0.012 0.000 1.259 303 P CA -0.237 62.800 63.100 -0.105 0.000 0.794 303 P CB 1.416 33.008 31.700 -0.180 0.000 0.940 304 T N 0.817 115.433 114.554 0.104 0.000 2.803 304 T HA -0.164 4.187 4.350 0.001 0.000 0.269 304 T C 1.009 175.786 174.700 0.129 0.000 1.052 304 T CA 1.699 63.897 62.100 0.162 0.000 1.136 304 T CB -0.765 68.222 68.868 0.199 0.000 0.864 304 T HN 0.291 nan 8.240 nan 0.000 0.467 305 D N 0.299 120.742 120.400 0.072 0.000 2.351 305 D HA 0.010 4.650 4.640 0.001 0.000 0.216 305 D C 1.450 177.766 176.300 0.028 0.000 0.968 305 D CA 0.636 54.657 54.000 0.036 0.000 0.899 305 D CB -0.006 40.799 40.800 0.008 0.000 0.907 305 D HN 0.399 nan 8.370 nan 0.000 0.514 306 M N -0.180 119.431 119.600 0.018 0.000 2.333 306 M HA 0.045 4.525 4.480 0.001 0.000 0.257 306 M C 1.657 178.171 176.300 0.358 0.000 1.078 306 M CA 0.136 55.490 55.300 0.089 0.000 1.005 306 M CB 0.361 32.848 32.600 -0.188 0.000 1.444 306 M HN 0.006 nan 8.290 nan 0.000 0.496 307 Q N 0.985 120.983 119.800 0.331 0.000 2.050 307 Q HA -0.118 4.223 4.340 0.001 0.000 0.202 307 Q C 1.695 177.828 176.000 0.221 0.000 0.980 307 Q CA 2.144 58.167 55.803 0.366 0.000 0.840 307 Q CB 0.083 28.970 28.738 0.250 0.000 0.898 307 Q HN 0.449 nan 8.270 nan 0.000 0.424 308 A N 0.442 123.232 122.820 -0.049 0.000 1.930 308 A HA -0.210 4.111 4.320 0.001 0.000 0.217 308 A C 1.991 179.532 177.584 -0.073 0.000 1.175 308 A CA 1.491 53.296 52.037 -0.387 0.000 0.627 308 A CB -0.413 17.991 19.000 -0.994 0.000 0.815 308 A HN 0.456 nan 8.150 nan 0.000 0.443 309 Q N -1.039 118.772 119.800 0.019 0.000 2.061 309 Q HA -0.105 4.236 4.340 0.001 0.000 0.204 309 Q C 1.615 177.639 176.000 0.040 0.000 0.984 309 Q CA 1.817 57.631 55.803 0.018 0.000 0.846 309 Q CB -0.482 28.271 28.738 0.025 0.000 0.902 309 Q HN 0.696 nan 8.270 nan 0.000 0.421 310 F N -0.020 120.001 119.950 0.118 0.000 2.407 310 F HA -0.096 4.431 4.527 0.001 0.000 0.299 310 F C 2.127 177.969 175.800 0.070 0.000 1.097 310 F CA 1.089 59.158 58.000 0.114 0.000 1.422 310 F CB -0.206 38.898 39.000 0.174 0.000 1.067 310 F HN 0.031 nan 8.300 nan 0.000 0.539 311 T N 0.548 115.252 114.554 0.251 0.000 2.708 311 T HA -0.212 4.139 4.350 0.001 0.000 0.266 311 T C 2.006 176.784 174.700 0.130 0.000 1.037 311 T CA 1.398 63.626 62.100 0.213 0.000 1.146 311 T CB -0.560 68.513 68.868 0.343 0.000 0.865 311 T HN 0.150 nan 8.240 nan 0.000 0.435 312 L N 1.285 122.561 121.223 0.088 0.000 2.017 312 L HA 0.045 4.385 4.340 0.001 0.000 0.208 312 L C 2.240 179.104 176.870 -0.009 0.000 1.073 312 L CA 1.491 56.350 54.840 0.032 0.000 0.745 312 L CB -0.992 41.064 42.059 -0.005 0.000 0.894 312 L HN 0.262 nan 8.230 nan 0.000 0.432 313 L N -0.154 121.035 121.223 -0.056 0.000 1.978 313 L HA -0.328 4.013 4.340 0.001 0.000 0.218 313 L C 2.288 179.144 176.870 -0.023 0.000 1.075 313 L CA 2.156 56.943 54.840 -0.089 0.000 0.767 313 L CB -0.674 41.253 42.059 -0.219 0.000 0.890 313 L HN 0.399 nan 8.230 nan 0.000 0.434 314 N N -0.214 118.497 118.700 0.019 0.000 2.205 314 N HA -0.178 4.562 4.740 0.001 0.000 0.186 314 N C 1.757 177.280 175.510 0.022 0.000 1.015 314 N CA 1.409 54.474 53.050 0.026 0.000 0.862 314 N CB -0.378 38.131 38.487 0.036 0.000 0.986 314 N HN 0.406 nan 8.380 nan 0.000 0.429 315 L N 0.044 121.282 121.223 0.025 0.000 2.395 315 L HA -0.005 4.335 4.340 0.001 0.000 0.218 315 L C 1.307 178.182 176.870 0.009 0.000 1.130 315 L CA 0.432 55.286 54.840 0.024 0.000 0.826 315 L CB 0.100 42.175 42.059 0.026 0.000 0.941 315 L HN 0.059 nan 8.230 nan 0.000 0.451 316 V N -4.724 115.191 119.914 0.002 0.000 3.176 316 V HA 0.540 4.661 4.120 0.001 0.000 0.332 316 V C 0.672 176.768 176.094 0.004 0.000 1.414 316 V CA -0.254 62.044 62.300 -0.004 0.000 1.133 316 V CB -0.344 31.469 31.823 -0.017 0.000 1.088 316 V HN 0.095 nan 8.190 nan 0.000 0.473 317 A N 0.185 123.012 122.820 0.013 0.000 2.247 317 A HA 0.702 5.023 4.320 0.001 0.000 0.313 317 A C -0.027 177.574 177.584 0.028 0.000 1.109 317 A CA -0.655 51.391 52.037 0.015 0.000 0.890 317 A CB 0.778 19.786 19.000 0.013 0.000 1.239 317 A HN 0.478 nan 8.150 nan 0.000 0.506 318 E N -0.440 119.777 120.200 0.027 0.000 2.152 318 E HA 0.461 4.811 4.350 0.001 0.000 0.285 318 E C 0.463 177.086 176.600 0.038 0.000 1.043 318 E CA 0.940 57.361 56.400 0.034 0.000 0.839 318 E CB 0.341 30.058 29.700 0.029 0.000 1.069 318 E HN 1.338 nan 8.360 nan 0.000 0.399 319 G N 2.701 111.533 108.800 0.053 0.000 2.526 319 G HA2 -0.174 3.786 3.960 0.001 0.000 0.250 319 G HA3 -0.174 3.786 3.960 0.001 0.000 0.250 319 G C -0.606 174.336 174.900 0.071 0.000 1.289 319 G CA -0.581 44.555 45.100 0.060 0.000 0.947 319 G HN 0.484 nan 8.290 nan 0.000 0.517 320 T N 0.625 115.217 114.554 0.064 0.000 2.797 320 T HA 0.725 5.076 4.350 0.001 0.000 0.279 320 T C 0.442 175.139 174.700 -0.004 0.000 0.991 320 T CA 0.456 62.574 62.100 0.031 0.000 0.979 320 T CB 1.549 70.471 68.868 0.089 0.000 0.943 320 T HN 1.717 nan 8.240 nan 0.000 0.444 321 G N 2.173 110.947 108.800 -0.043 0.000 2.620 321 G HA2 0.727 4.687 3.960 0.001 0.000 0.301 321 G HA3 0.727 4.687 3.960 0.001 0.000 0.301 321 G C -1.226 173.655 174.900 -0.032 0.000 1.347 321 G CA -0.931 44.123 45.100 -0.077 0.000 0.971 321 G HN 0.661 nan 8.290 nan 0.000 0.488 322 F N 0.022 119.933 119.950 -0.064 0.000 2.556 322 F HA 0.863 5.390 4.527 0.001 0.000 0.327 322 F C -0.659 175.111 175.800 -0.050 0.000 1.059 322 F CA -1.685 56.275 58.000 -0.067 0.000 0.953 322 F CB 1.796 40.754 39.000 -0.070 0.000 1.227 322 F HN 0.271 nan 8.300 nan 0.000 0.478 323 I N 2.138 122.834 120.570 0.209 0.000 2.447 323 I HA 0.300 4.470 4.170 0.001 0.000 0.287 323 I C -0.981 175.294 176.117 0.263 0.000 1.023 323 I CA -0.532 60.854 61.300 0.143 0.000 1.083 323 I CB 2.281 40.367 38.000 0.144 0.000 1.245 323 I HN 0.698 nan 8.210 nan 0.000 0.434 324 T N 4.292 118.987 114.554 0.235 0.000 2.779 324 T HA 0.290 4.641 4.350 0.001 0.000 0.280 324 T C -0.394 174.429 174.700 0.206 0.000 0.987 324 T CA -0.433 61.810 62.100 0.237 0.000 0.966 324 T CB 1.674 70.663 68.868 0.203 0.000 0.933 324 T HN 0.450 nan 8.240 nan 0.000 0.442 325 E N 1.503 121.864 120.200 0.269 0.000 2.134 325 E HA 0.439 4.790 4.350 0.001 0.000 0.278 325 E C 0.321 176.990 176.600 0.114 0.000 0.959 325 E CA -0.287 56.222 56.400 0.181 0.000 0.783 325 E CB 1.105 30.888 29.700 0.138 0.000 1.095 325 E HN 0.489 nan 8.360 nan 0.000 0.399 326 T N 2.857 117.445 114.554 0.057 0.000 3.040 326 T HA 0.165 4.515 4.350 0.001 0.000 0.266 326 T C 0.680 175.349 174.700 -0.052 0.000 1.005 326 T CA 0.318 62.428 62.100 0.017 0.000 0.906 326 T CB 0.428 69.305 68.868 0.016 0.000 1.082 326 T HN 0.302 nan 8.240 nan 0.000 0.531 327 V N -0.259 119.590 119.914 -0.107 0.000 2.911 327 V HA 0.422 4.542 4.120 0.001 0.000 0.237 327 V C -0.263 175.546 176.094 -0.476 0.000 1.156 327 V CA 0.376 62.477 62.300 -0.331 0.000 1.180 327 V CB 0.271 31.850 31.823 -0.408 0.000 0.932 327 V HN 0.264 nan 8.190 nan 0.000 0.483 328 F N 0.819 120.753 119.950 -0.026 0.000 2.434 328 F HA 0.458 4.986 4.527 0.001 0.000 0.367 328 F C 1.078 176.837 175.800 -0.070 0.000 1.093 328 F CA -1.007 56.962 58.000 -0.050 0.000 1.085 328 F CB 0.967 39.921 39.000 -0.076 0.000 1.322 328 F HN 0.016 nan 8.300 nan 0.000 0.452 329 E N 0.787 121.062 120.200 0.126 0.000 2.418 329 E HA -0.068 4.282 4.350 0.001 0.000 0.197 329 E C 0.477 177.170 176.600 0.155 0.000 1.026 329 E CA 0.582 57.057 56.400 0.125 0.000 0.862 329 E CB 0.108 29.875 29.700 0.112 0.000 0.799 329 E HN 0.435 nan 8.360 nan 0.000 0.518 330 N N 0.825 119.583 118.700 0.096 0.000 2.275 330 N HA 0.028 4.768 4.740 0.001 0.000 0.236 330 N C -0.181 175.312 175.510 -0.028 0.000 1.154 330 N CA 0.041 53.151 53.050 0.100 0.000 0.866 330 N CB 0.449 38.983 38.487 0.080 0.000 1.093 330 N HN -0.044 nan 8.380 nan 0.000 0.515 331 R N 0.671 121.005 120.500 -0.277 0.000 3.657 331 R HA 0.199 4.539 4.340 0.001 0.000 0.220 331 R C -0.659 175.330 176.300 -0.519 0.000 1.548 331 R CA -0.016 55.896 56.100 -0.313 0.000 1.465 331 R CB -0.503 29.662 30.300 -0.225 0.000 1.330 331 R HN -0.055 nan 8.270 nan 0.000 0.707 332 F N 0.205 120.164 119.950 0.014 0.000 2.880 332 F HA 0.190 4.717 4.527 0.001 0.000 0.328 332 F C 1.291 176.881 175.800 -0.350 0.000 1.146 332 F CA -0.367 57.489 58.000 -0.238 0.000 1.135 332 F CB 0.367 39.275 39.000 -0.153 0.000 1.151 332 F HN 0.215 nan 8.300 nan 0.000 0.523 333 M N -0.240 119.356 119.600 -0.006 0.000 2.279 333 M HA -0.202 4.279 4.480 0.001 0.000 0.264 333 M C 2.215 178.511 176.300 -0.007 0.000 1.062 333 M CA 1.835 57.133 55.300 -0.003 0.000 1.099 333 M CB -0.745 31.861 32.600 0.011 0.000 1.394 333 M HN 0.448 nan 8.290 nan 0.000 0.426 334 H N -1.571 117.532 119.070 0.055 0.000 2.421 334 H HA -0.054 4.503 4.556 0.001 0.000 0.298 334 H C 1.847 177.216 175.328 0.068 0.000 1.087 334 H CA 1.209 57.286 56.048 0.049 0.000 1.330 334 H CB -1.006 28.786 29.762 0.049 0.000 1.388 334 H HN 0.105 nan 8.280 nan 0.000 0.526 335 V N 1.731 121.487 119.914 -0.265 0.000 2.255 335 V HA -0.184 3.936 4.120 0.001 0.000 0.247 335 V C -0.257 175.821 176.094 -0.027 0.000 1.051 335 V CA 2.218 64.452 62.300 -0.109 0.000 1.018 335 V CB -1.205 30.529 31.823 -0.148 0.000 0.641 335 V HN 0.456 nan 8.190 nan 0.000 0.445 336 P HA -0.111 nan 4.420 nan 0.000 0.217 336 P C 1.568 178.875 177.300 0.012 0.000 1.150 336 P CA 1.162 64.260 63.100 -0.003 0.000 0.832 336 P CB -0.051 31.647 31.700 -0.003 0.000 0.787 337 E N -0.118 120.094 120.200 0.020 0.000 2.051 337 E HA -0.121 4.230 4.350 0.001 0.000 0.192 337 E C 2.160 178.778 176.600 0.029 0.000 0.991 337 E CA 1.015 57.433 56.400 0.029 0.000 0.799 337 E CB -1.057 28.667 29.700 0.041 0.000 0.748 337 E HN 0.319 nan 8.360 nan 0.000 0.449 338 L N 0.978 122.225 121.223 0.041 0.000 2.191 338 L HA -0.140 4.201 4.340 0.001 0.000 0.212 338 L C 2.432 179.309 176.870 0.012 0.000 1.103 338 L CA 0.753 55.613 54.840 0.033 0.000 0.769 338 L CB -0.304 41.790 42.059 0.058 0.000 0.908 338 L HN 0.016 nan 8.230 nan 0.000 0.438 339 S N -0.460 115.249 115.700 0.015 0.000 2.423 339 S HA -0.092 4.378 4.470 0.001 0.000 0.231 339 S C 1.963 176.568 174.600 0.009 0.000 1.014 339 S CA 0.851 59.059 58.200 0.013 0.000 0.965 339 S CB -0.123 63.093 63.200 0.026 0.000 0.785 339 S HN 0.400 nan 8.310 nan 0.000 0.495 340 R N 0.641 121.147 120.500 0.011 0.000 2.189 340 R HA 0.112 4.452 4.340 0.001 0.000 0.223 340 R C 1.447 177.748 176.300 0.002 0.000 1.092 340 R CA 0.896 57.002 56.100 0.010 0.000 0.989 340 R CB -0.261 30.047 30.300 0.013 0.000 0.876 340 R HN 0.440 nan 8.270 nan 0.000 0.457 341 M N -0.591 119.006 119.600 -0.005 0.000 2.431 341 M HA 0.185 4.666 4.480 0.001 0.000 0.237 341 M C 0.649 176.925 176.300 -0.040 0.000 1.130 341 M CA 0.368 55.659 55.300 -0.015 0.000 1.002 341 M CB 1.203 33.797 32.600 -0.010 0.000 1.524 341 M HN 0.398 nan 8.290 nan 0.000 0.482 342 G N 0.694 109.462 108.800 -0.054 0.000 2.157 342 G HA2 -0.184 3.776 3.960 0.001 0.000 0.239 342 G HA3 -0.184 3.776 3.960 0.001 0.000 0.239 342 G C 0.190 174.932 174.900 -0.264 0.000 0.982 342 G CA -0.040 44.990 45.100 -0.118 0.000 0.650 342 G HN 0.662 nan 8.290 nan 0.000 0.527 343 A N 0.423 123.143 122.820 -0.167 0.000 2.386 343 A HA 0.606 4.927 4.320 0.001 0.000 0.248 343 A C 0.109 177.601 177.584 -0.154 0.000 1.082 343 A CA -0.009 51.923 52.037 -0.175 0.000 0.789 343 A CB 0.207 19.180 19.000 -0.044 0.000 1.025 343 A HN 0.498 nan 8.150 nan 0.000 0.490 344 H N 0.373 119.483 119.070 0.066 0.000 2.685 344 H HA 0.644 5.200 4.556 0.001 0.000 0.307 344 H C -0.129 175.275 175.328 0.127 0.000 1.017 344 H CA 0.221 56.327 56.048 0.096 0.000 1.237 344 H CB 1.011 30.845 29.762 0.121 0.000 1.409 344 H HN 0.870 nan 8.280 nan 0.000 0.488 345 A N 3.321 126.264 122.820 0.204 0.000 2.539 345 A HA 0.604 4.925 4.320 0.001 0.000 0.296 345 A C -0.749 176.878 177.584 0.071 0.000 1.073 345 A CA -0.929 51.172 52.037 0.107 0.000 0.700 345 A CB 2.202 21.222 19.000 0.034 0.000 1.296 345 A HN 0.615 nan 8.150 nan 0.000 0.405 346 E N 1.483 121.698 120.200 0.025 0.000 2.288 346 E HA 0.634 4.984 4.350 0.001 0.000 0.268 346 E C -1.398 175.137 176.600 -0.107 0.000 0.885 346 E CA -0.630 55.758 56.400 -0.021 0.000 0.767 346 E CB 1.919 31.626 29.700 0.012 0.000 1.220 346 E HN 0.497 nan 8.360 nan 0.000 0.427 347 I N 1.657 122.140 120.570 -0.145 0.000 2.330 347 I HA 0.183 4.354 4.170 0.001 0.000 0.289 347 I C -0.151 175.865 176.117 -0.168 0.000 1.001 347 I CA -0.657 60.495 61.300 -0.246 0.000 1.193 347 I CB 1.176 38.990 38.000 -0.310 0.000 1.345 347 I HN 0.245 nan 8.210 nan 0.000 0.461 348 E N 5.151 125.251 120.200 -0.168 0.000 2.102 348 E HA 0.343 4.694 4.350 0.001 0.000 0.263 348 E C 0.157 176.696 176.600 -0.103 0.000 0.894 348 E CA -0.070 56.262 56.400 -0.113 0.000 0.746 348 E CB 1.701 31.340 29.700 -0.102 0.000 1.129 348 E HN 0.752 nan 8.360 nan 0.000 0.416 349 S N 3.812 119.472 115.700 -0.067 0.000 4.139 349 S HA -0.352 4.118 4.470 0.001 0.000 0.603 349 S C 0.671 175.269 174.600 -0.003 0.000 1.897 349 S CA 2.135 60.321 58.200 -0.025 0.000 4.241 349 S CB -1.062 62.125 63.200 -0.020 0.000 0.221 349 S HN 0.826 nan 8.310 nan 0.000 0.488 350 N N 0.367 119.094 118.700 0.045 0.000 2.321 350 N HA 0.374 5.115 4.740 0.001 0.000 0.242 350 N C -0.618 174.979 175.510 0.146 0.000 1.141 350 N CA 0.069 53.230 53.050 0.186 0.000 0.864 350 N CB 0.883 39.497 38.487 0.211 0.000 1.100 350 N HN 0.295 nan 8.380 nan 0.000 0.510 351 T N 0.345 114.858 114.554 -0.068 0.000 2.848 351 T HA 0.272 4.622 4.350 0.001 0.000 0.285 351 T C -0.965 173.571 174.700 -0.273 0.000 0.995 351 T CA -0.666 61.389 62.100 -0.076 0.000 0.970 351 T CB 2.349 71.170 68.868 -0.079 0.000 0.976 351 T HN 0.022 nan 8.240 nan 0.000 0.441 352 V N 5.655 125.413 119.914 -0.261 0.000 2.407 352 V HA 0.557 4.678 4.120 0.001 0.000 0.278 352 V C -0.556 175.501 176.094 -0.063 0.000 1.037 352 V CA -0.770 61.378 62.300 -0.253 0.000 0.900 352 V CB 0.299 31.969 31.823 -0.256 0.000 0.983 352 V HN 0.796 nan 8.190 nan 0.000 0.459 353 I N 7.255 127.771 120.570 -0.090 0.000 2.304 353 I HA 0.368 4.539 4.170 0.001 0.000 0.291 353 I C -0.232 175.755 176.117 -0.217 0.000 1.018 353 I CA -0.262 60.980 61.300 -0.097 0.000 1.260 353 I CB 0.854 38.797 38.000 -0.095 0.000 1.390 353 I HN 0.512 nan 8.210 nan 0.000 0.475 354 C N 5.448 124.606 119.300 -0.236 0.000 2.355 354 C HA 0.454 4.915 4.460 0.001 0.000 0.332 354 C C 0.031 174.789 174.990 -0.386 0.000 1.255 354 C CA -0.646 58.243 59.018 -0.215 0.000 1.792 354 C CB 0.215 27.923 27.740 -0.054 0.000 2.300 354 C HN 0.622 nan 8.230 nan 0.000 0.515 355 H N 1.338 120.462 119.070 0.090 0.000 2.792 355 H HA 0.307 4.864 4.556 0.001 0.000 0.298 355 H C 0.505 175.895 175.328 0.104 0.000 1.042 355 H CA -0.054 56.050 56.048 0.093 0.000 1.300 355 H CB 1.162 30.981 29.762 0.095 0.000 1.431 355 H HN 0.951 nan 8.280 nan 0.000 0.496 356 G N 2.421 111.308 108.800 0.145 0.000 2.305 356 G HA2 0.260 4.220 3.960 0.001 0.000 0.243 356 G HA3 0.260 4.220 3.960 0.001 0.000 0.243 356 G C 0.620 175.581 174.900 0.102 0.000 1.288 356 G CA -0.185 44.971 45.100 0.094 0.000 0.901 356 G HN 0.456 nan 8.290 nan 0.000 0.516 357 V N 0.419 120.365 119.914 0.054 0.000 2.975 357 V HA 0.553 4.674 4.120 0.001 0.000 0.318 357 V C 1.020 177.123 176.094 0.014 0.000 1.077 357 V CA -0.708 61.612 62.300 0.033 0.000 1.000 357 V CB 2.104 33.898 31.823 -0.047 0.000 1.066 357 V HN 0.641 nan 8.190 nan 0.000 0.452 358 E N 1.424 121.633 120.200 0.015 0.000 2.046 358 E HA -0.000 4.350 4.350 0.001 0.000 0.190 358 E C 0.425 177.024 176.600 -0.002 0.000 0.982 358 E CA 1.470 57.877 56.400 0.011 0.000 0.800 358 E CB 0.231 29.940 29.700 0.016 0.000 0.756 358 E HN 0.885 nan 8.360 nan 0.000 0.449 359 K N -0.765 119.629 120.400 -0.010 0.000 2.532 359 K HA 0.514 4.835 4.320 0.001 0.000 0.265 359 K C -0.727 175.855 176.600 -0.030 0.000 0.948 359 K CA -0.695 55.582 56.287 -0.016 0.000 0.842 359 K CB 1.548 34.043 32.500 -0.009 0.000 1.392 359 K HN -0.153 nan 8.250 nan 0.000 0.436 360 L N 0.352 121.557 121.223 -0.031 0.000 2.298 360 L HA 0.601 4.942 4.340 0.001 0.000 0.268 360 L C -0.185 176.670 176.870 -0.025 0.000 1.010 360 L CA -1.112 53.706 54.840 -0.038 0.000 0.812 360 L CB 2.064 44.102 42.059 -0.036 0.000 1.331 360 L HN 0.711 nan 8.230 nan 0.000 0.450 361 S N -1.102 114.584 115.700 -0.023 0.000 2.542 361 S HA 0.669 5.140 4.470 0.001 0.000 0.293 361 S C -0.228 174.368 174.600 -0.008 0.000 1.089 361 S CA -0.551 57.641 58.200 -0.013 0.000 0.961 361 S CB 1.799 64.993 63.200 -0.010 0.000 1.062 361 S HN 0.760 nan 8.310 nan 0.000 0.483 362 G N 1.227 110.025 108.800 -0.003 0.000 2.554 362 G HA2 0.554 4.514 3.960 0.001 0.000 0.238 362 G HA3 0.554 4.514 3.960 0.001 0.000 0.238 362 G C -0.244 174.659 174.900 0.005 0.000 1.259 362 G CA 0.364 45.465 45.100 0.002 0.000 0.843 362 G HN 1.052 nan 8.290 nan 0.000 0.582 363 A N 1.131 123.957 122.820 0.010 0.000 2.566 363 A HA 0.644 4.964 4.320 0.001 0.000 0.290 363 A C -0.694 176.901 177.584 0.018 0.000 1.071 363 A CA -0.790 51.254 52.037 0.012 0.000 0.658 363 A CB 0.833 19.840 19.000 0.010 0.000 1.285 363 A HN 0.679 nan 8.150 nan 0.000 0.427 364 Q N 0.367 120.178 119.800 0.019 0.000 2.288 364 Q HA 0.513 4.853 4.340 0.001 0.000 0.258 364 Q C -0.153 175.860 176.000 0.022 0.000 0.957 364 Q CA -0.506 55.310 55.803 0.022 0.000 0.919 364 Q CB 1.446 30.197 28.738 0.021 0.000 1.185 364 Q HN 1.014 nan 8.270 nan 0.000 0.408 365 V N -0.395 119.534 119.914 0.026 0.000 3.040 365 V HA 0.682 4.802 4.120 0.001 0.000 0.312 365 V C -0.821 175.287 176.094 0.024 0.000 1.115 365 V CA -1.245 61.070 62.300 0.025 0.000 0.998 365 V CB 2.262 34.101 31.823 0.027 0.000 1.042 365 V HN 0.854 nan 8.190 nan 0.000 0.433 366 M N 2.935 122.546 119.600 0.019 0.000 2.181 366 M HA 0.805 5.286 4.480 0.001 0.000 0.323 366 M C -0.097 176.201 176.300 -0.004 0.000 1.004 366 M CA -0.556 54.752 55.300 0.013 0.000 0.941 366 M CB 1.464 34.074 32.600 0.017 0.000 1.579 366 M HN 1.212 nan 8.290 nan 0.000 0.427 367 A N 2.858 125.670 122.820 -0.014 0.000 2.371 367 A HA 0.604 4.924 4.320 0.001 0.000 0.257 367 A C 0.649 178.136 177.584 -0.161 0.000 1.089 367 A CA 0.159 52.163 52.037 -0.055 0.000 0.794 367 A CB 0.208 19.189 19.000 -0.032 0.000 1.029 367 A HN 0.967 nan 8.150 nan 0.000 0.488 368 T N -2.507 111.832 114.554 -0.359 0.000 3.123 368 T HA 0.190 4.541 4.350 0.001 0.000 0.266 368 T C -0.325 173.883 174.700 -0.820 0.000 0.873 368 T CA 0.386 62.048 62.100 -0.730 0.000 0.854 368 T CB 0.051 68.727 68.868 -0.319 0.000 1.254 368 T HN 0.580 nan 8.240 nan 0.000 0.570 369 D N 1.134 121.283 120.400 -0.419 0.000 2.481 369 D HA 0.319 4.959 4.640 0.001 0.000 0.246 369 D C 1.040 177.277 176.300 -0.104 0.000 1.109 369 D CA -0.631 53.228 54.000 -0.235 0.000 0.845 369 D CB 2.059 42.773 40.800 -0.143 0.000 1.160 369 D HN -0.035 nan 8.370 nan 0.000 0.534 370 L N 4.634 125.825 121.223 -0.053 0.000 2.151 370 L HA -0.244 4.097 4.340 0.001 0.000 0.219 370 L C 1.896 178.798 176.870 0.054 0.000 1.083 370 L CA 1.973 56.826 54.840 0.022 0.000 0.782 370 L CB -0.066 41.984 42.059 -0.015 0.000 0.891 370 L HN 0.445 nan 8.230 nan 0.000 0.439 371 R N -2.371 118.142 120.500 0.021 0.000 2.194 371 R HA 0.323 4.664 4.340 0.001 0.000 0.194 371 R C 2.044 178.411 176.300 0.111 0.000 0.985 371 R CA 0.941 57.101 56.100 0.100 0.000 1.104 371 R CB -0.943 29.353 30.300 -0.007 0.000 1.092 371 R HN 0.354 nan 8.270 nan 0.000 0.555 372 A N 1.072 123.885 122.820 -0.011 0.000 1.940 372 A HA -0.115 4.205 4.320 0.001 0.000 0.219 372 A C 2.086 179.620 177.584 -0.083 0.000 1.176 372 A CA 1.878 53.857 52.037 -0.096 0.000 0.631 372 A CB -0.466 18.447 19.000 -0.145 0.000 0.814 372 A HN 0.221 nan 8.150 nan 0.000 0.446 373 S N -0.267 115.414 115.700 -0.032 0.000 2.507 373 S HA 0.085 4.556 4.470 0.001 0.000 0.235 373 S C 2.058 176.638 174.600 -0.032 0.000 0.988 373 S CA 0.716 58.903 58.200 -0.023 0.000 0.944 373 S CB -0.327 62.855 63.200 -0.031 0.000 0.762 373 S HN 0.784 nan 8.310 nan 0.000 0.526 374 A N 1.912 124.697 122.820 -0.058 0.000 2.024 374 A HA -0.139 4.181 4.320 0.001 0.000 0.220 374 A C 2.299 179.781 177.584 -0.170 0.000 1.164 374 A CA 1.832 53.748 52.037 -0.202 0.000 0.643 374 A CB -0.869 17.860 19.000 -0.451 0.000 0.806 374 A HN 0.640 nan 8.150 nan 0.000 0.451 375 S N -0.105 115.525 115.700 -0.116 0.000 2.423 375 S HA -0.064 4.407 4.470 0.001 0.000 0.231 375 S C 1.783 176.352 174.600 -0.052 0.000 1.014 375 S CA 1.287 59.432 58.200 -0.093 0.000 0.965 375 S CB -0.660 62.489 63.200 -0.085 0.000 0.785 375 S HN 0.500 nan 8.310 nan 0.000 0.495 376 L N 0.938 122.145 121.223 -0.026 0.000 2.109 376 L HA -0.015 4.326 4.340 0.001 0.000 0.207 376 L C 2.683 179.547 176.870 -0.010 0.000 1.086 376 L CA 0.814 55.654 54.840 0.001 0.000 0.760 376 L CB -0.788 41.285 42.059 0.023 0.000 0.910 376 L HN 0.235 nan 8.230 nan 0.000 0.437 377 V N -0.099 119.798 119.914 -0.027 0.000 2.261 377 V HA -0.288 3.833 4.120 0.001 0.000 0.246 377 V C 2.477 178.515 176.094 -0.092 0.000 1.047 377 V CA 1.487 63.755 62.300 -0.053 0.000 1.015 377 V CB -0.470 31.295 31.823 -0.097 0.000 0.642 377 V HN 0.230 nan 8.190 nan 0.000 0.446 378 L N 0.573 121.726 121.223 -0.118 0.000 2.043 378 L HA -0.189 4.151 4.340 0.001 0.000 0.212 378 L C 2.611 179.438 176.870 -0.071 0.000 1.075 378 L CA 2.375 57.149 54.840 -0.110 0.000 0.752 378 L CB -1.233 40.746 42.059 -0.133 0.000 0.891 378 L HN 0.313 nan 8.230 nan 0.000 0.432 379 A N -0.724 122.065 122.820 -0.052 0.000 1.902 379 A HA -0.108 4.212 4.320 0.001 0.000 0.217 379 A C 2.444 180.011 177.584 -0.028 0.000 1.181 379 A CA 1.616 53.634 52.037 -0.032 0.000 0.623 379 A CB -1.386 17.606 19.000 -0.014 0.000 0.818 379 A HN 0.451 nan 8.150 nan 0.000 0.443 380 G N -0.691 108.093 108.800 -0.026 0.000 2.469 380 G HA2 -0.319 3.642 3.960 0.001 0.000 0.219 380 G HA3 -0.319 3.642 3.960 0.001 0.000 0.219 380 G C 1.564 176.445 174.900 -0.031 0.000 1.150 380 G CA 1.372 46.459 45.100 -0.021 0.000 0.763 380 G HN 0.537 nan 8.290 nan 0.000 0.561 381 C N 0.683 119.956 119.300 -0.046 0.000 2.422 381 C HA 0.031 4.492 4.460 0.001 0.000 0.279 381 C C 2.591 177.561 174.990 -0.034 0.000 1.305 381 C CA 0.902 59.893 59.018 -0.045 0.000 1.757 381 C CB -0.972 26.736 27.740 -0.054 0.000 1.962 381 C HN 0.666 nan 8.230 nan 0.000 0.499 382 I N -1.486 119.065 120.570 -0.032 0.000 4.057 382 I HA 0.406 4.576 4.170 0.001 0.000 0.334 382 I C 1.017 177.121 176.117 -0.022 0.000 1.308 382 I CA -0.160 61.124 61.300 -0.027 0.000 1.125 382 I CB -0.366 37.617 38.000 -0.030 0.000 1.034 382 I HN 0.056 nan 8.210 nan 0.000 0.401 383 A N 1.595 124.403 122.820 -0.021 0.000 2.313 383 A HA 0.312 4.633 4.320 0.001 0.000 0.261 383 A C -0.120 177.456 177.584 -0.013 0.000 1.090 383 A CA -0.179 51.848 52.037 -0.017 0.000 0.807 383 A CB 0.249 19.240 19.000 -0.015 0.000 1.055 383 A HN 0.416 nan 8.150 nan 0.000 0.492 384 E N -0.045 120.148 120.200 -0.011 0.000 2.052 384 E HA 0.467 4.818 4.350 0.001 0.000 0.283 384 E C 0.726 177.323 176.600 -0.004 0.000 1.071 384 E CA 1.434 57.830 56.400 -0.007 0.000 0.851 384 E CB -0.051 29.645 29.700 -0.006 0.000 1.066 384 E HN 1.341 nan 8.360 nan 0.000 0.396 385 G N 2.810 111.608 108.800 -0.004 0.000 2.501 385 G HA2 -0.183 3.778 3.960 0.001 0.000 0.213 385 G HA3 -0.183 3.778 3.960 0.001 0.000 0.213 385 G C -0.488 174.412 174.900 0.001 0.000 1.158 385 G CA -0.368 44.732 45.100 -0.000 0.000 1.079 385 G HN 0.487 nan 8.290 nan 0.000 0.586 386 T N 1.497 116.054 114.554 0.005 0.000 2.779 386 T HA 0.678 5.028 4.350 0.001 0.000 0.280 386 T C -0.306 174.402 174.700 0.013 0.000 0.987 386 T CA 0.260 62.366 62.100 0.009 0.000 0.966 386 T CB 1.533 70.409 68.868 0.012 0.000 0.933 386 T HN 0.709 nan 8.240 nan 0.000 0.442 387 T N 2.807 117.371 114.554 0.017 0.000 2.829 387 T HA 0.548 4.899 4.350 0.001 0.000 0.280 387 T C -0.417 174.307 174.700 0.040 0.000 0.999 387 T CA -0.525 61.589 62.100 0.023 0.000 0.983 387 T CB 1.309 70.188 68.868 0.018 0.000 0.968 387 T HN 0.308 nan 8.240 nan 0.000 0.446 388 V N 3.988 123.927 119.914 0.042 0.000 2.378 388 V HA 0.416 4.536 4.120 0.001 0.000 0.288 388 V C -0.198 175.931 176.094 0.058 0.000 1.016 388 V CA -0.730 61.604 62.300 0.056 0.000 0.840 388 V CB 1.595 33.443 31.823 0.042 0.000 0.994 388 V HN 0.707 nan 8.190 nan 0.000 0.431 389 V N 4.591 124.557 119.914 0.087 0.000 2.394 389 V HA 0.486 4.607 4.120 0.001 0.000 0.282 389 V C -0.265 175.847 176.094 0.030 0.000 1.031 389 V CA -0.575 61.768 62.300 0.073 0.000 0.881 389 V CB 1.663 33.562 31.823 0.126 0.000 0.982 389 V HN 0.795 nan 8.190 nan 0.000 0.451 390 D N 3.320 123.727 120.400 0.011 0.000 2.326 390 D HA 0.461 5.102 4.640 0.001 0.000 0.248 390 D C 0.230 176.515 176.300 -0.025 0.000 1.001 390 D CA -0.672 53.325 54.000 -0.005 0.000 0.961 390 D CB 1.091 41.902 40.800 0.018 0.000 1.183 390 D HN 0.421 nan 8.370 nan 0.000 0.502 391 R N 0.796 121.287 120.500 -0.014 0.000 3.188 391 R HA -0.165 4.176 4.340 0.001 0.000 0.247 391 R C 1.147 177.303 176.300 -0.241 0.000 0.918 391 R CA 0.130 56.196 56.100 -0.055 0.000 0.629 391 R CB -1.920 28.369 30.300 -0.018 0.000 1.087 391 R HN 0.539 nan 8.270 nan 0.000 0.462 392 I N -2.201 118.245 120.570 -0.206 0.000 3.444 392 I HA -0.143 4.028 4.170 0.001 0.000 0.287 392 I C 2.003 177.991 176.117 -0.215 0.000 1.302 392 I CA 0.403 61.550 61.300 -0.256 0.000 1.368 392 I CB -0.439 37.250 38.000 -0.519 0.000 1.048 392 I HN 0.363 nan 8.210 nan 0.000 0.487 393 Y N 0.664 120.869 120.300 -0.158 0.000 2.256 393 Y HA -0.236 4.315 4.550 0.001 0.000 0.288 393 Y C 2.424 178.241 175.900 -0.137 0.000 1.155 393 Y CA 1.289 59.291 58.100 -0.164 0.000 1.203 393 Y CB -1.534 36.799 38.460 -0.210 0.000 0.980 393 Y HN 0.166 nan 8.280 nan 0.000 0.530 394 H N 0.806 119.528 119.070 -0.581 0.000 2.290 394 H HA -0.157 4.399 4.556 0.001 0.000 0.298 394 H C 2.333 177.617 175.328 -0.073 0.000 1.087 394 H CA 2.216 58.089 56.048 -0.292 0.000 1.291 394 H CB -0.401 29.145 29.762 -0.361 0.000 1.369 394 H HN 0.465 nan 8.280 nan 0.000 0.492 395 I N 0.984 121.600 120.570 0.076 0.000 2.361 395 I HA -0.215 3.955 4.170 0.001 0.000 0.251 395 I C 1.841 178.079 176.117 0.202 0.000 1.133 395 I CA 0.989 62.393 61.300 0.173 0.000 1.413 395 I CB -0.164 37.932 38.000 0.160 0.000 1.073 395 I HN 0.072 nan 8.210 nan 0.000 0.424 396 D N 0.858 121.331 120.400 0.120 0.000 2.263 396 D HA -0.144 4.496 4.640 0.001 0.000 0.208 396 D C 2.236 178.600 176.300 0.107 0.000 0.971 396 D CA 0.970 55.041 54.000 0.119 0.000 0.867 396 D CB -0.178 40.672 40.800 0.083 0.000 0.929 396 D HN 0.350 nan 8.370 nan 0.000 0.492 397 R N -0.303 120.255 120.500 0.096 0.000 2.189 397 R HA 0.055 4.395 4.340 0.001 0.000 0.218 397 R C 2.062 178.383 176.300 0.035 0.000 1.074 397 R CA 1.076 57.217 56.100 0.068 0.000 0.991 397 R CB 0.047 30.389 30.300 0.070 0.000 0.883 397 R HN 0.137 nan 8.270 nan 0.000 0.457 398 G N -1.288 107.537 108.800 0.042 0.000 2.748 398 G HA2 0.062 4.023 3.960 0.001 0.000 0.204 398 G HA3 0.062 4.023 3.960 0.001 0.000 0.204 398 G C -0.170 174.534 174.900 -0.327 0.000 1.095 398 G CA -0.080 44.939 45.100 -0.136 0.000 0.775 398 G HN 0.081 nan 8.290 nan 0.000 0.531 399 Y N -0.011 120.320 120.300 0.051 0.000 2.442 399 Y HA 0.442 4.992 4.550 0.001 0.000 0.344 399 Y C -0.236 175.714 175.900 0.084 0.000 0.976 399 Y CA -1.179 56.959 58.100 0.064 0.000 1.040 399 Y CB 1.977 40.469 38.460 0.053 0.000 1.228 399 Y HN -0.036 nan 8.280 nan 0.000 0.451 400 E N 4.906 125.240 120.200 0.224 0.000 2.166 400 E HA 0.171 4.522 4.350 0.001 0.000 0.279 400 E C -0.385 176.324 176.600 0.181 0.000 1.095 400 E CA -0.492 56.007 56.400 0.164 0.000 0.888 400 E CB 0.232 30.002 29.700 0.116 0.000 1.041 400 E HN 0.712 nan 8.360 nan 0.000 0.414 401 R N 3.364 123.963 120.500 0.165 0.000 2.939 401 R HA -0.218 4.122 4.340 0.001 0.000 0.255 401 R C 0.212 176.609 176.300 0.162 0.000 0.882 401 R CA 0.544 56.734 56.100 0.151 0.000 0.658 401 R CB -2.142 28.221 30.300 0.105 0.000 1.447 401 R HN 0.756 nan 8.270 nan 0.000 0.506 402 I N 1.118 121.794 120.570 0.176 0.000 2.617 402 I HA -0.214 3.957 4.170 0.001 0.000 0.256 402 I C 2.496 178.619 176.117 0.010 0.000 1.167 402 I CA 1.500 62.872 61.300 0.121 0.000 1.469 402 I CB -0.014 37.978 38.000 -0.013 0.000 1.098 402 I HN 0.696 nan 8.210 nan 0.000 0.436 403 E N 0.466 120.627 120.200 -0.064 0.000 2.150 403 E HA -0.254 4.096 4.350 0.001 0.000 0.193 403 E C 1.119 177.679 176.600 -0.067 0.000 0.985 403 E CA 1.295 57.578 56.400 -0.195 0.000 0.814 403 E CB -0.449 29.092 29.700 -0.265 0.000 0.752 403 E HN 0.470 nan 8.360 nan 0.000 0.466 404 D N 1.788 122.188 120.400 -0.001 0.000 2.117 404 D HA -0.086 4.555 4.640 0.001 0.000 0.198 404 D C 1.915 178.204 176.300 -0.019 0.000 0.982 404 D CA 1.247 55.246 54.000 -0.001 0.000 0.828 404 D CB -0.115 40.697 40.800 0.018 0.000 0.967 404 D HN 0.298 nan 8.370 nan 0.000 0.464 405 K N 0.316 120.716 120.400 -0.001 0.000 2.097 405 K HA -0.002 4.318 4.320 0.001 0.000 0.205 405 K C 2.353 178.923 176.600 -0.049 0.000 1.050 405 K CA 0.459 56.703 56.287 -0.072 0.000 0.938 405 K CB -0.062 32.367 32.500 -0.118 0.000 0.718 405 K HN 0.134 nan 8.250 nan 0.000 0.442 406 L N 0.527 121.781 121.223 0.052 0.000 2.056 406 L HA -0.139 4.201 4.340 0.001 0.000 0.207 406 L C 2.728 179.583 176.870 -0.026 0.000 1.078 406 L CA 1.045 55.910 54.840 0.042 0.000 0.749 406 L CB -0.300 41.753 42.059 -0.010 0.000 0.901 406 L HN 0.150 nan 8.230 nan 0.000 0.433 407 R N 0.386 120.858 120.500 -0.047 0.000 2.081 407 R HA -0.156 4.184 4.340 0.001 0.000 0.235 407 R C 2.172 178.447 176.300 -0.042 0.000 1.131 407 R CA 1.426 57.498 56.100 -0.046 0.000 0.960 407 R CB -0.284 29.990 30.300 -0.044 0.000 0.856 407 R HN 0.330 nan 8.270 nan 0.000 0.436 408 A N 0.012 122.802 122.820 -0.050 0.000 2.259 408 A HA -0.041 4.280 4.320 0.001 0.000 0.212 408 A C 1.600 179.147 177.584 -0.062 0.000 1.178 408 A CA 0.876 52.878 52.037 -0.058 0.000 0.734 408 A CB -0.204 18.751 19.000 -0.074 0.000 0.774 408 A HN 0.365 nan 8.150 nan 0.000 0.481 409 L N -2.356 118.835 121.223 -0.053 0.000 2.766 409 L HA 0.325 4.665 4.340 0.001 0.000 0.242 409 L C 1.436 178.287 176.870 -0.031 0.000 1.136 409 L CA 0.546 55.360 54.840 -0.044 0.000 0.933 409 L CB 0.450 42.491 42.059 -0.030 0.000 1.241 409 L HN 0.495 nan 8.230 nan 0.000 0.522 410 G N 0.130 108.911 108.800 -0.032 0.000 2.175 410 G HA2 -0.176 3.784 3.960 0.001 0.000 0.182 410 G HA3 -0.176 3.784 3.960 0.001 0.000 0.182 410 G C 0.327 175.210 174.900 -0.029 0.000 1.003 410 G CA -0.170 44.913 45.100 -0.028 0.000 0.666 410 G HN 0.365 nan 8.290 nan 0.000 0.506 411 A N 0.162 122.961 122.820 -0.034 0.000 2.425 411 A HA 0.582 4.902 4.320 0.001 0.000 0.249 411 A C 0.501 178.057 177.584 -0.046 0.000 1.084 411 A CA 0.142 52.152 52.037 -0.044 0.000 0.781 411 A CB 0.370 19.334 19.000 -0.060 0.000 1.019 411 A HN 0.486 nan 8.150 nan 0.000 0.490 412 N N 2.141 120.816 118.700 -0.042 0.000 2.602 412 N HA 0.340 5.081 4.740 0.001 0.000 0.238 412 N C -1.252 174.230 175.510 -0.046 0.000 1.084 412 N CA 0.058 53.087 53.050 -0.035 0.000 0.952 412 N CB 0.130 38.604 38.487 -0.022 0.000 1.244 412 N HN 0.647 nan 8.380 nan 0.000 0.512 413 I N 1.032 121.566 120.570 -0.060 0.000 2.619 413 I HA 0.398 4.568 4.170 0.001 0.000 0.292 413 I C -1.211 174.882 176.117 -0.040 0.000 1.100 413 I CA -0.625 60.621 61.300 -0.089 0.000 1.043 413 I CB 2.043 39.916 38.000 -0.212 0.000 1.239 413 I HN 0.323 nan 8.210 nan 0.000 0.420 414 E N 6.793 127.010 120.200 0.027 0.000 2.314 414 E HA 0.342 4.693 4.350 0.001 0.000 0.272 414 E C -1.441 175.300 176.600 0.234 0.000 0.884 414 E CA -0.945 55.511 56.400 0.093 0.000 0.753 414 E CB 2.205 31.945 29.700 0.066 0.000 1.213 414 E HN 0.595 nan 8.360 nan 0.000 0.432 415 R N 3.822 124.470 120.500 0.247 0.000 2.198 415 R HA 0.315 4.655 4.340 0.001 0.000 0.339 415 R C -0.466 175.900 176.300 0.110 0.000 1.020 415 R CA -0.366 55.888 56.100 0.257 0.000 0.864 415 R CB 0.647 31.106 30.300 0.264 0.000 1.105 415 R HN 0.331 nan 8.270 nan 0.000 0.463 416 V N 1.964 121.921 119.914 0.071 0.000 2.994 416 V HA 0.545 4.666 4.120 0.001 0.000 0.318 416 V C -0.375 175.724 176.094 0.009 0.000 1.085 416 V CA -0.794 61.529 62.300 0.038 0.000 0.998 416 V CB 2.134 33.981 31.823 0.040 0.000 1.063 416 V HN 0.687 nan 8.190 nan 0.000 0.447 417 K N 2.846 123.251 120.400 0.008 0.000 2.832 417 K HA 0.363 4.684 4.320 0.001 0.000 0.211 417 K C 0.658 177.258 176.600 -0.001 0.000 1.112 417 K CA 0.305 56.591 56.287 -0.001 0.000 1.108 417 K CB 0.407 32.907 32.500 0.000 0.000 0.899 417 K HN 0.996 nan 8.250 nan 0.000 0.464 418 G N 0.000 108.801 108.800 0.002 0.000 5.446 418 G HA2 0.000 3.961 3.960 0.001 0.000 0.244 418 G HA3 0.000 3.961 3.960 0.001 0.000 0.244 418 G CA 0.000 45.103 45.100 0.004 0.000 0.502 418 G HN 0.000 nan 8.290 nan 0.000 0.925