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 1zz1_1_C DATA FIRST_RESID 2 DATA SEQUENCE AIGYVWNTLY GWVDTGTGSL AAANLTARMQ PISHHLAHPD TKRRFHELVC DATA SEQUENCE ASGQIEHLTP IAAVAATDAD ILRAHSAAHL ENMKRVSNLP TGGDTGDGIT DATA SEQUENCE MMGNGGLEIA RLSAGGAVEL TRRVATGELS AGYALVNPPG HHAPHNAAMG DATA SEQUENCE FCIFNNTSVA AGYARAVLGM ERVAILDWDV HHGNGTQDIW WNDPSVLTIS DATA SEQUENCE LHQHLCFPPD SGYSTERGAG NGHGYNINVP LPPGSGNAAY LHAMDQVVLP DATA SEQUENCE ALRAYRPQLI IVGSGFDASM LDPLARMMVT ADGFRQMARR TIDCAADICD DATA SEQUENCE GRIVFVQEGG YSPHYLPFCG LAVIEELTGV RSLPDPYHEF LAGMGGNTLL DATA SEQUENCE DAERAAIEEI VPLLADI 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.640 177.584 0.094 0.000 1.274 2 A CA 0.000 52.083 52.037 0.077 0.000 0.836 2 A CB 0.000 19.039 19.000 0.066 0.000 0.831 3 I N 2.643 123.277 120.570 0.107 0.000 2.355 3 I HA 0.501 4.679 4.170 0.013 0.000 0.288 3 I C 1.009 177.220 176.117 0.158 0.000 0.999 3 I CA -0.330 61.051 61.300 0.136 0.000 1.163 3 I CB 0.910 38.992 38.000 0.137 0.000 1.316 3 I HN 0.757 nan 8.210 nan 0.000 0.454 4 G N 5.558 114.461 108.800 0.172 0.000 2.476 4 G HA2 0.346 4.314 3.960 0.013 0.000 0.269 4 G HA3 0.346 4.314 3.960 0.013 0.000 0.269 4 G C -1.596 173.476 174.900 0.287 0.000 1.195 4 G CA -0.081 45.130 45.100 0.185 0.000 0.843 4 G HN 0.536 nan 8.290 nan 0.000 0.545 5 Y N 1.322 121.696 120.300 0.123 0.000 2.396 5 Y HA 0.495 5.052 4.550 0.012 0.000 0.332 5 Y C -1.067 174.929 175.900 0.159 0.000 1.034 5 Y CA -0.971 57.223 58.100 0.155 0.000 1.057 5 Y CB 1.958 40.491 38.460 0.121 0.000 1.220 5 Y HN 0.452 nan 8.280 nan 0.000 0.440 6 V N 6.669 126.355 119.914 -0.380 0.000 2.384 6 V HA 0.349 4.476 4.120 0.013 0.000 0.287 6 V C -0.984 174.908 176.094 -0.337 0.000 1.020 6 V CA -0.726 61.423 62.300 -0.252 0.000 0.850 6 V CB 1.405 33.203 31.823 -0.041 0.000 0.987 6 V HN 0.824 nan 8.190 nan 0.000 0.436 7 W N 6.100 127.126 121.300 -0.455 0.000 3.097 7 W HA 0.470 5.137 4.660 0.012 0.000 0.335 7 W C -1.697 174.518 176.519 -0.507 0.000 1.114 7 W CA -0.610 56.505 57.345 -0.384 0.000 1.231 7 W CB 2.130 31.251 29.460 -0.565 0.000 1.388 7 W HN 0.587 nan 8.180 nan 0.000 0.485 8 N N 2.646 120.328 118.700 -1.697 0.000 2.321 8 N HA 0.174 4.921 4.740 0.013 0.000 0.299 8 N C 0.688 175.162 175.510 -1.726 0.000 1.048 8 N CA -0.052 52.059 53.050 -1.564 0.000 0.836 8 N CB 2.263 39.734 38.487 -1.695 0.000 1.269 8 N HN 0.412 nan 8.380 nan 0.000 0.486 9 T N 3.018 116.968 114.554 -1.006 0.000 2.721 9 T HA -0.128 4.230 4.350 0.013 0.000 0.268 9 T C 1.821 176.020 174.700 -0.836 0.000 1.038 9 T CA 1.246 62.918 62.100 -0.712 0.000 1.145 9 T CB -0.057 68.490 68.868 -0.535 0.000 0.858 9 T HN 0.513 nan 8.240 nan 0.000 0.459 10 L N -0.357 120.328 121.223 -0.898 0.000 2.362 10 L HA -0.032 4.316 4.340 0.013 0.000 0.219 10 L C 2.136 178.818 176.870 -0.314 0.000 1.134 10 L CA 1.038 55.486 54.840 -0.653 0.000 0.807 10 L CB -0.655 41.106 42.059 -0.497 0.000 0.927 10 L HN 0.443 nan 8.230 nan 0.000 0.447 11 Y N -0.143 119.787 120.300 -0.616 0.000 2.256 11 Y HA -0.187 4.371 4.550 0.013 0.000 0.288 11 Y C 2.443 178.225 175.900 -0.197 0.000 1.155 11 Y CA 0.318 58.109 58.100 -0.516 0.000 1.203 11 Y CB -0.291 37.605 38.460 -0.940 0.000 0.980 11 Y HN 0.251 nan 8.280 nan 0.000 0.530 12 G N -1.835 107.007 108.800 0.070 0.000 2.985 12 G HA2 -0.126 3.842 3.960 0.013 0.000 0.209 12 G HA3 -0.126 3.842 3.960 0.013 0.000 0.209 12 G C 0.436 175.609 174.900 0.455 0.000 1.165 12 G CA -0.097 45.258 45.100 0.426 0.000 0.776 12 G HN 0.361 nan 8.290 nan 0.000 0.541 13 W N 0.455 121.740 121.300 -0.026 0.000 3.132 13 W HA 0.411 5.078 4.660 0.012 0.000 0.364 13 W C 0.375 176.841 176.519 -0.089 0.000 1.129 13 W CA -1.444 55.869 57.345 -0.054 0.000 1.815 13 W CB -0.326 29.099 29.460 -0.059 0.000 1.099 13 W HN -0.215 nan 8.180 nan 0.000 0.605 14 V N 2.583 122.559 119.914 0.103 0.000 2.509 14 V HA -0.129 3.999 4.120 0.013 0.000 0.297 14 V C 0.360 176.394 176.094 -0.101 0.000 1.014 14 V CA 0.386 62.684 62.300 -0.005 0.000 1.127 14 V CB 0.161 31.964 31.823 -0.032 0.000 0.925 14 V HN -0.126 nan 8.190 nan 0.000 0.480 15 D N 4.105 124.448 120.400 -0.095 0.000 2.339 15 D HA 0.166 4.814 4.640 0.013 0.000 0.241 15 D C 1.149 177.338 176.300 -0.184 0.000 1.183 15 D CA -0.023 53.894 54.000 -0.137 0.000 0.859 15 D CB 1.351 42.096 40.800 -0.091 0.000 1.067 15 D HN 0.716 nan 8.370 nan 0.000 0.484 16 T N 0.758 115.163 114.554 -0.247 0.000 3.086 16 T HA 0.463 4.820 4.350 0.013 0.000 0.250 16 T C 1.162 175.714 174.700 -0.246 0.000 1.074 16 T CA 0.105 61.992 62.100 -0.356 0.000 0.988 16 T CB -0.029 68.570 68.868 -0.449 0.000 0.988 16 T HN 0.580 nan 8.240 nan 0.000 0.530 17 G N 1.869 110.597 108.800 -0.120 0.000 2.542 17 G HA2 -0.205 3.763 3.960 0.013 0.000 0.235 17 G HA3 -0.205 3.763 3.960 0.013 0.000 0.235 17 G C 0.519 175.426 174.900 0.012 0.000 1.286 17 G CA 0.491 45.564 45.100 -0.046 0.000 0.904 17 G HN 1.041 nan 8.290 nan 0.000 0.577 18 T N -1.728 112.849 114.554 0.038 0.000 3.091 18 T HA 0.621 4.979 4.350 0.013 0.000 0.277 18 T C 1.120 175.864 174.700 0.073 0.000 0.996 18 T CA 1.176 63.305 62.100 0.048 0.000 0.897 18 T CB 0.606 69.489 68.868 0.023 0.000 1.109 18 T HN 1.890 nan 8.240 nan 0.000 0.534 19 G N 0.544 109.413 108.800 0.116 0.000 2.535 19 G HA2 0.489 4.456 3.960 0.013 0.000 0.303 19 G HA3 0.489 4.456 3.960 0.013 0.000 0.303 19 G C 0.525 175.489 174.900 0.106 0.000 1.237 19 G CA -0.402 44.768 45.100 0.115 0.000 0.986 19 G HN 0.176 nan 8.290 nan 0.000 0.494 20 S N -1.159 114.527 115.700 -0.024 0.000 2.441 20 S HA 0.084 4.562 4.470 0.013 0.000 0.224 20 S C 1.196 175.451 174.600 -0.575 0.000 1.043 20 S CA 0.788 58.872 58.200 -0.193 0.000 0.948 20 S CB -0.011 63.128 63.200 -0.103 0.000 0.810 20 S HN 0.409 nan 8.310 nan 0.000 0.504 21 L N -0.535 120.501 121.223 -0.312 0.000 2.208 21 L HA 0.607 4.955 4.340 0.013 0.000 0.133 21 L C 0.273 177.246 176.870 0.172 0.000 1.385 21 L CA 0.615 55.348 54.840 -0.178 0.000 1.030 21 L CB -0.683 41.311 42.059 -0.107 0.000 2.075 21 L HN 0.082 nan 8.230 nan 0.000 0.482 22 A N 1.078 123.946 122.820 0.079 0.000 2.310 22 A HA 0.715 5.042 4.320 0.013 0.000 0.260 22 A C 0.471 178.116 177.584 0.101 0.000 1.112 22 A CA 0.161 52.253 52.037 0.092 0.000 0.804 22 A CB -0.589 18.437 19.000 0.043 0.000 1.081 22 A HN 0.703 nan 8.150 nan 0.000 0.499 23 A N -0.528 122.339 122.820 0.078 0.000 2.448 23 A HA 0.526 4.853 4.320 0.013 0.000 0.239 23 A C 0.910 178.523 177.584 0.048 0.000 1.080 23 A CA 0.197 52.273 52.037 0.066 0.000 0.779 23 A CB -0.588 18.436 19.000 0.041 0.000 1.026 23 A HN 2.240 nan 8.150 nan 0.000 0.499 24 A N 0.725 123.571 122.820 0.043 0.000 2.483 24 A HA 0.417 4.745 4.320 0.013 0.000 0.238 24 A C 0.299 177.896 177.584 0.022 0.000 1.070 24 A CA 0.510 52.565 52.037 0.029 0.000 0.770 24 A CB -0.302 18.714 19.000 0.027 0.000 1.008 24 A HN 0.947 nan 8.150 nan 0.000 0.497 25 N N 1.547 120.257 118.700 0.017 0.000 2.549 25 N HA 0.323 5.071 4.740 0.013 0.000 0.290 25 N C 0.535 176.051 175.510 0.011 0.000 1.122 25 N CA -0.679 52.379 53.050 0.014 0.000 0.885 25 N CB 0.741 39.236 38.487 0.013 0.000 1.455 25 N HN 0.416 nan 8.380 nan 0.000 0.521 26 L N 1.615 122.844 121.223 0.009 0.000 2.046 26 L HA -0.085 4.262 4.340 0.013 0.000 0.208 26 L C 1.776 178.650 176.870 0.007 0.000 1.077 26 L CA 1.693 56.538 54.840 0.008 0.000 0.747 26 L CB -1.181 40.882 42.059 0.007 0.000 0.896 26 L HN 0.666 nan 8.230 nan 0.000 0.432 27 T N 0.220 114.778 114.554 0.007 0.000 2.746 27 T HA -0.125 4.232 4.350 0.013 0.000 0.267 27 T C 1.804 176.508 174.700 0.007 0.000 1.039 27 T CA 1.359 63.462 62.100 0.006 0.000 1.142 27 T CB -0.127 68.744 68.868 0.006 0.000 0.866 27 T HN 0.421 nan 8.240 nan 0.000 0.444 28 A N 0.667 123.491 122.820 0.007 0.000 2.167 28 A HA 0.088 4.416 4.320 0.013 0.000 0.214 28 A C 0.928 178.517 177.584 0.008 0.000 1.151 28 A CA 0.240 52.281 52.037 0.008 0.000 0.735 28 A CB -0.125 18.880 19.000 0.008 0.000 0.802 28 A HN 0.321 nan 8.150 nan 0.000 0.467 29 R N -1.855 118.650 120.500 0.008 0.000 3.422 29 R HA -0.155 4.193 4.340 0.013 0.000 0.267 29 R C -0.594 175.711 176.300 0.009 0.000 1.074 29 R CA 0.958 57.063 56.100 0.008 0.000 0.718 29 R CB -2.748 27.557 30.300 0.008 0.000 1.157 29 R HN 0.643 nan 8.270 nan 0.000 0.440 30 M N 1.011 120.617 119.600 0.010 0.000 2.151 30 M HA 0.134 4.622 4.480 0.013 0.000 0.349 30 M C 0.964 177.272 176.300 0.013 0.000 1.284 30 M CA 0.161 55.467 55.300 0.010 0.000 1.173 30 M CB 1.170 33.776 32.600 0.010 0.000 1.469 30 M HN 0.058 nan 8.290 nan 0.000 0.439 31 Q N 4.456 124.264 119.800 0.013 0.000 2.361 31 Q HA 0.208 4.556 4.340 0.013 0.000 0.276 31 Q C -2.186 173.825 176.000 0.019 0.000 1.022 31 Q CA -1.328 54.484 55.803 0.015 0.000 0.898 31 Q CB 0.685 29.432 28.738 0.015 0.000 1.246 31 Q HN 0.304 nan 8.270 nan 0.000 0.410 32 P HA 0.127 nan 4.420 nan 0.000 0.270 32 P C -0.956 176.362 177.300 0.030 0.000 1.223 32 P CA 0.208 63.323 63.100 0.026 0.000 0.785 32 P CB 0.506 32.218 31.700 0.020 0.000 0.923 33 I N -0.184 120.410 120.570 0.040 0.000 2.913 33 I HA 0.159 4.337 4.170 0.013 0.000 0.302 33 I C 0.787 176.938 176.117 0.056 0.000 1.246 33 I CA -0.406 60.925 61.300 0.051 0.000 1.010 33 I CB 2.073 40.106 38.000 0.056 0.000 1.259 33 I HN 0.124 nan 8.210 nan 0.000 0.434 34 S N 1.828 117.566 115.700 0.064 0.000 2.406 34 S HA 0.020 4.498 4.470 0.013 0.000 0.228 34 S C -0.085 174.446 174.600 -0.115 0.000 1.020 34 S CA 1.012 59.209 58.200 -0.006 0.000 0.965 34 S CB -0.233 62.977 63.200 0.016 0.000 0.798 34 S HN 0.544 nan 8.310 nan 0.000 0.488 35 H N 0.369 119.442 119.070 0.006 0.000 2.718 35 H HA 0.366 4.930 4.556 0.012 0.000 0.295 35 H C -0.170 175.233 175.328 0.124 0.000 1.051 35 H CA -0.649 55.407 56.048 0.013 0.000 1.260 35 H CB 0.286 29.966 29.762 -0.138 0.000 1.403 35 H HN 0.308 nan 8.280 nan 0.000 0.488 36 H N 2.245 121.410 119.070 0.158 0.000 2.929 36 H HA -0.037 4.527 4.556 0.013 0.000 0.358 36 H C 0.995 176.387 175.328 0.106 0.000 1.111 36 H CA -0.010 56.090 56.048 0.086 0.000 1.409 36 H CB 0.915 30.687 29.762 0.016 0.000 1.373 36 H HN 0.672 nan 8.280 nan 0.000 0.610 37 L N 2.879 123.972 121.223 -0.216 0.000 2.051 37 L HA -0.255 4.093 4.340 0.013 0.000 0.214 37 L C 2.089 179.098 176.870 0.232 0.000 1.076 37 L CA 1.733 56.550 54.840 -0.039 0.000 0.758 37 L CB -0.494 41.423 42.059 -0.236 0.000 0.890 37 L HN 0.805 nan 8.230 nan 0.000 0.433 38 A N -2.462 120.569 122.820 0.352 0.000 2.370 38 A HA 0.003 4.331 4.320 0.013 0.000 0.238 38 A C 0.630 178.325 177.584 0.184 0.000 1.289 38 A CA -0.330 51.840 52.037 0.223 0.000 0.885 38 A CB -0.749 17.917 19.000 -0.556 0.000 0.961 38 A HN 0.322 nan 8.150 nan 0.000 0.499 39 H N 1.740 120.924 119.070 0.190 0.000 3.064 39 H HA 0.008 4.571 4.556 0.012 0.000 0.329 39 H C -1.437 173.982 175.328 0.153 0.000 1.020 39 H CA -0.368 55.762 56.048 0.136 0.000 1.402 39 H CB 1.136 31.031 29.762 0.221 0.000 1.379 39 H HN 0.168 nan 8.280 nan 0.000 0.594 40 P HA -0.113 nan 4.420 nan 0.000 0.228 40 P C 0.732 178.231 177.300 0.332 0.000 1.151 40 P CA 0.689 63.872 63.100 0.139 0.000 0.770 40 P CB 0.410 32.147 31.700 0.062 0.000 0.786 41 D N -0.225 120.512 120.400 0.563 0.000 2.182 41 D HA -0.115 4.533 4.640 0.013 0.000 0.201 41 D C 1.877 178.329 176.300 0.253 0.000 0.986 41 D CA 1.371 55.624 54.000 0.422 0.000 0.847 41 D CB -0.864 40.186 40.800 0.417 0.000 0.942 41 D HN 0.150 nan 8.370 nan 0.000 0.467 42 T N 0.559 115.253 114.554 0.233 0.000 2.684 42 T HA -0.150 4.208 4.350 0.013 0.000 0.267 42 T C 1.882 176.676 174.700 0.156 0.000 1.036 42 T CA 1.273 63.454 62.100 0.135 0.000 1.148 42 T CB -0.066 68.872 68.868 0.116 0.000 0.863 42 T HN 0.199 nan 8.240 nan 0.000 0.436 43 K N 0.429 120.962 120.400 0.222 0.000 2.155 43 K HA 0.054 4.381 4.320 0.013 0.000 0.203 43 K C 2.521 179.215 176.600 0.156 0.000 1.052 43 K CA 0.617 57.074 56.287 0.282 0.000 0.948 43 K CB -0.085 32.627 32.500 0.353 0.000 0.728 43 K HN 0.157 nan 8.250 nan 0.000 0.448 44 R N 1.468 122.082 120.500 0.189 0.000 2.096 44 R HA -0.104 4.244 4.340 0.013 0.000 0.235 44 R C 1.998 178.256 176.300 -0.070 0.000 1.127 44 R CA 1.371 57.471 56.100 -0.002 0.000 0.968 44 R CB 0.045 30.507 30.300 0.271 0.000 0.861 44 R HN 0.077 nan 8.270 nan 0.000 0.440 45 R N -0.533 119.982 120.500 0.026 0.000 2.120 45 R HA -0.132 4.215 4.340 0.013 0.000 0.234 45 R C 2.121 178.396 176.300 -0.042 0.000 1.123 45 R CA 1.248 57.337 56.100 -0.018 0.000 0.975 45 R CB -0.404 29.894 30.300 -0.004 0.000 0.866 45 R HN 0.218 nan 8.270 nan 0.000 0.446 46 F N 1.241 121.071 119.950 -0.201 0.000 2.102 46 F HA -0.206 4.329 4.527 0.013 0.000 0.298 46 F C 2.268 177.902 175.800 -0.277 0.000 1.105 46 F CA 1.939 59.787 58.000 -0.252 0.000 1.239 46 F CB -0.997 37.902 39.000 -0.168 0.000 0.991 46 F HN 0.049 nan 8.300 nan 0.000 0.474 47 H N 0.286 119.054 119.070 -0.503 0.000 2.319 47 H HA -0.132 4.431 4.556 0.012 0.000 0.299 47 H C 2.087 177.149 175.328 -0.444 0.000 1.092 47 H CA 2.549 58.180 56.048 -0.695 0.000 1.302 47 H CB -0.437 28.449 29.762 -1.459 0.000 1.373 47 H HN 0.439 nan 8.280 nan 0.000 0.497 48 E N -0.473 119.440 120.200 -0.477 0.000 2.153 48 E HA -0.136 4.221 4.350 0.013 0.000 0.194 48 E C 2.152 178.557 176.600 -0.325 0.000 0.988 48 E CA 0.939 57.105 56.400 -0.390 0.000 0.811 48 E CB -0.090 29.508 29.700 -0.169 0.000 0.746 48 E HN 0.382 nan 8.360 nan 0.000 0.466 49 L N 0.630 121.689 121.223 -0.273 0.000 2.109 49 L HA -0.116 4.231 4.340 0.013 0.000 0.207 49 L C 2.183 178.895 176.870 -0.263 0.000 1.086 49 L CA 1.158 55.845 54.840 -0.255 0.000 0.760 49 L CB -0.222 41.638 42.059 -0.330 0.000 0.910 49 L HN -0.096 nan 8.230 nan 0.000 0.437 50 V N -0.918 118.806 119.914 -0.316 0.000 2.324 50 V HA -0.394 3.733 4.120 0.013 0.000 0.250 50 V C 2.596 178.467 176.094 -0.371 0.000 1.060 50 V CA 2.029 64.104 62.300 -0.374 0.000 1.042 50 V CB -0.845 30.632 31.823 -0.577 0.000 0.650 50 V HN 0.649 nan 8.190 nan 0.000 0.450 51 C N -0.146 118.893 119.300 -0.434 0.000 2.489 51 C HA 0.021 4.489 4.460 0.013 0.000 0.279 51 C C 3.060 177.927 174.990 -0.205 0.000 1.266 51 C CA 0.664 59.487 59.018 -0.325 0.000 1.707 51 C CB -1.279 26.237 27.740 -0.374 0.000 2.059 51 C HN 0.621 nan 8.230 nan 0.000 0.481 52 A N 1.176 123.882 122.820 -0.189 0.000 2.015 52 A HA -0.112 4.215 4.320 0.013 0.000 0.219 52 A C 2.220 179.751 177.584 -0.088 0.000 1.163 52 A CA 1.966 53.932 52.037 -0.117 0.000 0.646 52 A CB -0.706 18.234 19.000 -0.100 0.000 0.806 52 A HN 0.716 nan 8.150 nan 0.000 0.448 53 S N -1.794 113.844 115.700 -0.103 0.000 2.515 53 S HA 0.298 4.775 4.470 0.013 0.000 0.231 53 S C 1.574 176.147 174.600 -0.044 0.000 0.987 53 S CA 1.219 59.381 58.200 -0.063 0.000 0.936 53 S CB -0.432 62.723 63.200 -0.075 0.000 0.766 53 S HN 1.890 nan 8.310 nan 0.000 0.528 54 G N 0.723 109.481 108.800 -0.070 0.000 2.176 54 G HA2 -0.296 3.671 3.960 0.013 0.000 0.253 54 G HA3 -0.296 3.671 3.960 0.013 0.000 0.253 54 G C 0.891 175.782 174.900 -0.015 0.000 0.979 54 G CA 0.394 45.465 45.100 -0.049 0.000 0.641 54 G HN 0.424 nan 8.290 nan 0.000 0.530 55 Q N -0.352 119.429 119.800 -0.032 0.000 2.181 55 Q HA -0.041 4.306 4.340 0.013 0.000 0.205 55 Q C 2.593 178.543 176.000 -0.085 0.000 0.980 55 Q CA 1.514 57.316 55.803 -0.001 0.000 0.862 55 Q CB -0.237 28.438 28.738 -0.104 0.000 0.905 55 Q HN 0.744 nan 8.270 nan 0.000 0.429 56 I N 1.708 122.162 120.570 -0.193 0.000 2.423 56 I HA -0.226 3.951 4.170 0.013 0.000 0.254 56 I C 1.507 177.531 176.117 -0.155 0.000 1.151 56 I CA 1.370 62.538 61.300 -0.219 0.000 1.421 56 I CB -0.053 37.817 38.000 -0.217 0.000 1.079 56 I HN 0.040 nan 8.210 nan 0.000 0.431 57 E N -0.437 119.641 120.200 -0.204 0.000 2.418 57 E HA -0.112 4.245 4.350 0.013 0.000 0.197 57 E C 1.273 177.615 176.600 -0.430 0.000 1.026 57 E CA 0.769 56.983 56.400 -0.309 0.000 0.862 57 E CB -0.422 29.051 29.700 -0.378 0.000 0.799 57 E HN 0.661 nan 8.360 nan 0.000 0.518 58 H N -0.700 118.340 119.070 -0.049 0.000 2.594 58 H HA 0.301 4.865 4.556 0.013 0.000 0.279 58 H C 0.395 175.713 175.328 -0.016 0.000 1.042 58 H CA -0.003 56.028 56.048 -0.028 0.000 1.177 58 H CB 0.906 30.648 29.762 -0.033 0.000 1.524 58 H HN 0.001 nan 8.280 nan 0.000 0.537 59 L N 0.635 121.879 121.223 0.034 0.000 2.333 59 L HA 0.337 4.684 4.340 0.013 0.000 0.269 59 L C 0.121 177.033 176.870 0.069 0.000 1.010 59 L CA -0.676 54.197 54.840 0.055 0.000 0.818 59 L CB 2.297 44.353 42.059 -0.005 0.000 1.306 59 L HN -0.147 nan 8.230 nan 0.000 0.430 60 T N 2.566 117.186 114.554 0.110 0.000 2.781 60 T HA 0.311 4.669 4.350 0.013 0.000 0.305 60 T C -2.500 172.287 174.700 0.146 0.000 1.001 60 T CA -1.210 60.951 62.100 0.102 0.000 0.950 60 T CB 0.917 69.838 68.868 0.089 0.000 0.955 60 T HN 0.210 nan 8.240 nan 0.000 0.471 61 P HA 0.212 nan 4.420 nan 0.000 0.267 61 P C -0.698 176.665 177.300 0.105 0.000 1.205 61 P CA -0.354 62.852 63.100 0.177 0.000 0.765 61 P CB 0.387 32.181 31.700 0.157 0.000 0.828 62 I N 2.528 123.150 120.570 0.088 0.000 2.418 62 I HA 0.377 4.555 4.170 0.013 0.000 0.287 62 I C 0.452 176.565 176.117 -0.006 0.000 1.008 62 I CA -1.410 59.912 61.300 0.037 0.000 1.104 62 I CB 1.122 39.147 38.000 0.042 0.000 1.264 62 I HN 0.299 nan 8.210 nan 0.000 0.438 63 A N 5.243 128.046 122.820 -0.028 0.000 2.440 63 A HA 0.665 4.992 4.320 0.013 0.000 0.251 63 A C 0.614 178.148 177.584 -0.083 0.000 1.089 63 A CA -0.277 51.717 52.037 -0.071 0.000 0.779 63 A CB 0.326 19.284 19.000 -0.070 0.000 1.022 63 A HN 0.873 nan 8.150 nan 0.000 0.492 64 A N 1.953 124.699 122.820 -0.123 0.000 2.445 64 A HA 0.512 4.839 4.320 0.013 0.000 0.242 64 A C -0.059 177.465 177.584 -0.101 0.000 1.075 64 A CA -0.060 51.918 52.037 -0.098 0.000 0.777 64 A CB 0.160 19.093 19.000 -0.112 0.000 1.013 64 A HN 1.169 nan 8.150 nan 0.000 0.493 65 V N 1.774 121.640 119.914 -0.081 0.000 2.483 65 V HA 0.520 4.647 4.120 0.013 0.000 0.297 65 V C 0.678 176.730 176.094 -0.071 0.000 1.027 65 V CA -0.351 61.901 62.300 -0.080 0.000 0.855 65 V CB 1.264 33.040 31.823 -0.080 0.000 0.995 65 V HN 1.287 nan 8.190 nan 0.000 0.424 66 A N 4.272 127.052 122.820 -0.066 0.000 2.566 66 A HA 0.508 4.835 4.320 0.013 0.000 0.245 66 A C 0.933 178.484 177.584 -0.054 0.000 1.056 66 A CA 0.605 52.611 52.037 -0.050 0.000 0.757 66 A CB -0.047 18.925 19.000 -0.047 0.000 0.979 66 A HN 1.552 nan 8.150 nan 0.000 0.508 67 A N 3.864 126.652 122.820 -0.054 0.000 2.546 67 A HA 0.474 4.801 4.320 0.013 0.000 0.243 67 A C 1.123 178.658 177.584 -0.081 0.000 1.063 67 A CA 0.547 52.537 52.037 -0.078 0.000 0.757 67 A CB -0.492 18.448 19.000 -0.101 0.000 0.991 67 A HN 1.604 nan 8.150 nan 0.000 0.503 68 T N 0.322 114.835 114.554 -0.068 0.000 2.816 68 T HA 0.248 4.605 4.350 0.013 0.000 0.282 68 T C 0.563 175.211 174.700 -0.086 0.000 0.993 68 T CA 0.050 62.115 62.100 -0.059 0.000 0.994 68 T CB 0.534 69.383 68.868 -0.032 0.000 1.025 68 T HN 0.540 nan 8.240 nan 0.000 0.529 69 D N 0.992 121.348 120.400 -0.072 0.000 2.116 69 D HA -0.123 4.525 4.640 0.013 0.000 0.193 69 D C 2.357 178.621 176.300 -0.060 0.000 0.998 69 D CA 1.924 55.876 54.000 -0.079 0.000 0.836 69 D CB -0.909 39.862 40.800 -0.048 0.000 0.951 69 D HN 0.754 nan 8.370 nan 0.000 0.449 70 A N 1.116 123.919 122.820 -0.029 0.000 1.933 70 A HA -0.198 4.129 4.320 0.013 0.000 0.218 70 A C 1.827 179.413 177.584 0.003 0.000 1.175 70 A CA 1.758 53.791 52.037 -0.006 0.000 0.628 70 A CB -0.381 18.625 19.000 0.009 0.000 0.814 70 A HN 0.056 nan 8.150 nan 0.000 0.444 71 D N 0.123 120.521 120.400 -0.003 0.000 2.097 71 D HA -0.133 4.515 4.640 0.013 0.000 0.195 71 D C 1.841 178.129 176.300 -0.020 0.000 0.989 71 D CA 1.323 55.333 54.000 0.017 0.000 0.827 71 D CB -0.362 40.431 40.800 -0.012 0.000 0.966 71 D HN 0.540 nan 8.370 nan 0.000 0.456 72 I N 0.614 121.118 120.570 -0.110 0.000 2.286 72 I HA -0.217 3.960 4.170 0.013 0.000 0.248 72 I C 2.229 178.328 176.117 -0.029 0.000 1.115 72 I CA 0.616 61.811 61.300 -0.174 0.000 1.392 72 I CB -0.127 37.578 38.000 -0.491 0.000 1.065 72 I HN -0.052 nan 8.210 nan 0.000 0.418 73 L N 0.188 121.400 121.223 -0.019 0.000 2.456 73 L HA -0.094 4.254 4.340 0.013 0.000 0.224 73 L C 2.488 179.382 176.870 0.041 0.000 1.148 73 L CA 0.709 55.564 54.840 0.025 0.000 0.825 73 L CB -0.520 41.550 42.059 0.018 0.000 0.937 73 L HN 0.173 nan 8.230 nan 0.000 0.450 74 R N -0.016 120.506 120.500 0.037 0.000 2.189 74 R HA -0.067 4.281 4.340 0.013 0.000 0.223 74 R C 1.987 178.280 176.300 -0.012 0.000 1.092 74 R CA 1.252 57.379 56.100 0.045 0.000 0.989 74 R CB -0.151 30.206 30.300 0.094 0.000 0.876 74 R HN 0.365 nan 8.270 nan 0.000 0.457 75 A N -0.588 122.200 122.820 -0.054 0.000 2.127 75 A HA 0.161 4.489 4.320 0.013 0.000 0.204 75 A C 0.047 177.450 177.584 -0.301 0.000 1.243 75 A CA 0.048 51.930 52.037 -0.258 0.000 0.887 75 A CB 0.321 19.138 19.000 -0.306 0.000 0.933 75 A HN 0.205 nan 8.150 nan 0.000 0.479 76 H N -0.566 118.516 119.070 0.020 0.000 2.797 76 H HA 0.509 5.072 4.556 0.012 0.000 0.372 76 H C 0.169 175.279 175.328 -0.364 0.000 1.168 76 H CA -0.059 55.874 56.048 -0.192 0.000 1.163 76 H CB 1.727 31.526 29.762 0.062 0.000 1.778 76 H HN 0.259 nan 8.280 nan 0.000 0.551 77 S N 0.587 115.924 115.700 -0.606 0.000 2.585 77 S HA 0.235 4.712 4.470 0.013 0.000 0.273 77 S C 1.437 176.024 174.600 -0.022 0.000 1.339 77 S CA -0.263 57.776 58.200 -0.268 0.000 1.028 77 S CB 1.318 64.377 63.200 -0.235 0.000 0.906 77 S HN 0.823 nan 8.310 nan 0.000 0.528 78 A N 2.458 125.286 122.820 0.013 0.000 1.940 78 A HA 0.094 4.421 4.320 0.013 0.000 0.219 78 A C 2.388 179.982 177.584 0.018 0.000 1.176 78 A CA 1.818 53.866 52.037 0.017 0.000 0.631 78 A CB -1.623 17.389 19.000 0.019 0.000 0.814 78 A HN 1.373 nan 8.150 nan 0.000 0.446 79 A N -0.944 121.892 122.820 0.025 0.000 1.902 79 A HA -0.164 4.164 4.320 0.013 0.000 0.217 79 A C 2.034 179.647 177.584 0.048 0.000 1.181 79 A CA 2.110 54.164 52.037 0.030 0.000 0.623 79 A CB -0.805 18.215 19.000 0.033 0.000 0.818 79 A HN 0.775 nan 8.150 nan 0.000 0.443 80 H N -0.594 118.457 119.070 -0.032 0.000 2.357 80 H HA -0.045 4.519 4.556 0.013 0.000 0.301 80 H C 1.748 177.093 175.328 0.029 0.000 1.082 80 H CA 1.663 57.697 56.048 -0.024 0.000 1.342 80 H CB -0.309 29.424 29.762 -0.049 0.000 1.389 80 H HN 0.295 nan 8.280 nan 0.000 0.511 81 L N 0.650 121.827 121.223 -0.077 0.000 2.046 81 L HA -0.089 4.259 4.340 0.013 0.000 0.208 81 L C 2.228 179.056 176.870 -0.071 0.000 1.077 81 L CA 2.161 56.960 54.840 -0.069 0.000 0.747 81 L CB -0.808 41.234 42.059 -0.029 0.000 0.896 81 L HN 0.296 nan 8.230 nan 0.000 0.432 82 E N -0.245 119.927 120.200 -0.048 0.000 2.110 82 E HA -0.242 4.116 4.350 0.013 0.000 0.193 82 E C 2.074 178.642 176.600 -0.053 0.000 0.988 82 E CA 1.312 57.690 56.400 -0.037 0.000 0.804 82 E CB -0.365 29.324 29.700 -0.018 0.000 0.745 82 E HN 0.579 nan 8.360 nan 0.000 0.458 83 N N -0.808 117.850 118.700 -0.069 0.000 2.166 83 N HA -0.118 4.630 4.740 0.013 0.000 0.186 83 N C 1.443 176.883 175.510 -0.115 0.000 1.019 83 N CA 1.334 54.342 53.050 -0.070 0.000 0.856 83 N CB -0.024 38.442 38.487 -0.034 0.000 0.993 83 N HN 0.136 nan 8.380 nan 0.000 0.426 84 M N 0.408 119.883 119.600 -0.209 0.000 2.175 84 M HA -0.038 4.449 4.480 0.013 0.000 0.264 84 M C 1.764 178.000 176.300 -0.107 0.000 1.063 84 M CA 1.191 56.360 55.300 -0.219 0.000 1.119 84 M CB -0.770 31.602 32.600 -0.380 0.000 1.377 84 M HN 0.138 nan 8.290 nan 0.000 0.415 85 K N -0.278 120.085 120.400 -0.062 0.000 2.057 85 K HA -0.144 4.183 4.320 0.013 0.000 0.207 85 K C 2.197 178.775 176.600 -0.036 0.000 1.049 85 K CA 1.116 57.384 56.287 -0.032 0.000 0.931 85 K CB -0.191 32.298 32.500 -0.019 0.000 0.714 85 K HN 0.225 nan 8.250 nan 0.000 0.440 86 R N 0.952 121.428 120.500 -0.041 0.000 2.080 86 R HA -0.164 4.184 4.340 0.013 0.000 0.236 86 R C 2.086 178.365 176.300 -0.035 0.000 1.137 86 R CA 1.730 57.810 56.100 -0.033 0.000 0.943 86 R CB -0.321 29.960 30.300 -0.030 0.000 0.846 86 R HN 0.006 nan 8.270 nan 0.000 0.431 87 V N 0.079 119.965 119.914 -0.047 0.000 2.343 87 V HA -0.203 3.924 4.120 0.013 0.000 0.247 87 V C 2.342 178.410 176.094 -0.043 0.000 1.051 87 V CA 2.057 64.330 62.300 -0.045 0.000 1.036 87 V CB -0.465 31.323 31.823 -0.058 0.000 0.654 87 V HN 0.437 nan 8.190 nan 0.000 0.451 88 S N 0.142 115.813 115.700 -0.049 0.000 2.423 88 S HA -0.156 4.321 4.470 0.013 0.000 0.231 88 S C 1.780 176.364 174.600 -0.026 0.000 1.014 88 S CA 1.319 59.496 58.200 -0.039 0.000 0.965 88 S CB -0.415 62.763 63.200 -0.037 0.000 0.785 88 S HN 0.620 nan 8.310 nan 0.000 0.495 89 N N 0.870 119.556 118.700 -0.024 0.000 2.422 89 N HA 0.187 4.935 4.740 0.013 0.000 0.181 89 N C 0.072 175.572 175.510 -0.016 0.000 1.080 89 N CA 0.088 53.128 53.050 -0.018 0.000 0.893 89 N CB -0.235 38.242 38.487 -0.017 0.000 0.973 89 N HN 0.429 nan 8.380 nan 0.000 0.456 90 L N 1.748 122.960 121.223 -0.019 0.000 2.485 90 L HA 0.027 4.375 4.340 0.013 0.000 0.275 90 L C -0.940 175.921 176.870 -0.015 0.000 1.207 90 L CA -1.104 53.726 54.840 -0.016 0.000 0.855 90 L CB 0.327 42.375 42.059 -0.018 0.000 1.114 90 L HN -0.082 nan 8.230 nan 0.000 0.485 91 P HA -0.175 nan 4.420 nan 0.000 0.217 91 P C 0.817 178.110 177.300 -0.012 0.000 1.151 91 P CA 1.513 64.607 63.100 -0.011 0.000 0.849 91 P CB 0.095 31.789 31.700 -0.009 0.000 0.787 92 T N -5.852 108.694 114.554 -0.014 0.000 3.288 92 T HA 0.584 4.941 4.350 0.013 0.000 0.293 92 T C 0.840 175.528 174.700 -0.019 0.000 1.008 92 T CA -0.076 62.015 62.100 -0.016 0.000 0.929 92 T CB -0.104 68.755 68.868 -0.015 0.000 1.152 92 T HN 0.331 nan 8.240 nan 0.000 0.517 93 G N 0.351 109.138 108.800 -0.021 0.000 2.562 93 G HA2 0.324 4.291 3.960 0.013 0.000 0.250 93 G HA3 0.324 4.291 3.960 0.013 0.000 0.250 93 G C 0.088 174.973 174.900 -0.025 0.000 1.269 93 G CA -0.376 44.708 45.100 -0.026 0.000 0.919 93 G HN 1.794 nan 8.290 nan 0.000 0.574 94 G N -1.237 107.546 108.800 -0.028 0.000 2.323 94 G HA2 0.590 4.557 3.960 0.013 0.000 0.291 94 G HA3 0.590 4.557 3.960 0.013 0.000 0.291 94 G C -1.210 173.676 174.900 -0.023 0.000 1.278 94 G CA 0.779 45.865 45.100 -0.022 0.000 0.860 94 G HN 1.828 nan 8.290 nan 0.000 0.504 95 D N -0.612 119.780 120.400 -0.015 0.000 2.255 95 D HA 0.365 5.013 4.640 0.013 0.000 0.249 95 D C 1.274 177.565 176.300 -0.014 0.000 1.078 95 D CA 0.420 54.414 54.000 -0.010 0.000 0.896 95 D CB 1.501 42.302 40.800 0.001 0.000 1.194 95 D HN 0.657 nan 8.370 nan 0.000 0.429 96 T N -1.385 113.161 114.554 -0.013 0.000 3.129 96 T HA 0.390 4.747 4.350 0.013 0.000 0.251 96 T C 1.309 176.010 174.700 0.002 0.000 1.117 96 T CA 0.352 62.441 62.100 -0.017 0.000 1.034 96 T CB -0.071 68.780 68.868 -0.029 0.000 0.968 96 T HN 0.810 nan 8.240 nan 0.000 0.526 97 G N 2.310 111.111 108.800 0.003 0.000 2.797 97 G HA2 -0.188 3.779 3.960 0.013 0.000 0.195 97 G HA3 -0.188 3.779 3.960 0.013 0.000 0.195 97 G C 0.545 175.447 174.900 0.003 0.000 1.026 97 G CA 0.261 45.363 45.100 0.004 0.000 0.759 97 G HN 0.607 nan 8.290 nan 0.000 0.475 98 D N 1.212 121.616 120.400 0.006 0.000 2.328 98 D HA 0.380 5.028 4.640 0.013 0.000 0.221 98 D C 1.825 178.132 176.300 0.012 0.000 1.072 98 D CA 0.732 54.736 54.000 0.007 0.000 0.850 98 D CB -0.415 40.390 40.800 0.008 0.000 0.922 98 D HN 1.610 nan 8.370 nan 0.000 0.516 99 G N 0.292 109.101 108.800 0.014 0.000 2.189 99 G HA2 -0.281 3.687 3.960 0.013 0.000 0.267 99 G HA3 -0.281 3.687 3.960 0.013 0.000 0.267 99 G C 0.777 175.695 174.900 0.030 0.000 0.975 99 G CA 0.626 45.736 45.100 0.017 0.000 0.644 99 G HN 0.411 nan 8.290 nan 0.000 0.537 100 I N -0.131 120.463 120.570 0.041 0.000 4.046 100 I HA 0.168 4.345 4.170 0.013 0.000 0.285 100 I C 1.438 177.622 176.117 0.111 0.000 1.183 100 I CA 1.464 62.812 61.300 0.079 0.000 1.337 100 I CB -0.305 37.734 38.000 0.065 0.000 1.478 100 I HN 0.335 nan 8.210 nan 0.000 0.452 101 T N 3.578 118.189 114.554 0.095 0.000 2.771 101 T HA 0.507 4.865 4.350 0.013 0.000 0.291 101 T C -0.220 174.502 174.700 0.036 0.000 0.954 101 T CA -0.257 61.913 62.100 0.117 0.000 1.045 101 T CB 0.823 69.785 68.868 0.157 0.000 0.917 101 T HN -0.093 nan 8.240 nan 0.000 0.484 102 M N 4.174 123.775 119.600 0.002 0.000 2.662 102 M HA 0.543 5.031 4.480 0.013 0.000 0.310 102 M C -0.615 175.654 176.300 -0.053 0.000 1.204 102 M CA -0.916 54.366 55.300 -0.031 0.000 0.891 102 M CB 2.095 34.667 32.600 -0.047 0.000 1.732 102 M HN 0.782 nan 8.290 nan 0.000 0.467 103 M N 0.457 120.024 119.600 -0.055 0.000 2.327 103 M HA 0.620 5.108 4.480 0.013 0.000 0.298 103 M C -0.031 176.240 176.300 -0.049 0.000 1.065 103 M CA -0.283 54.980 55.300 -0.061 0.000 0.916 103 M CB 2.219 34.773 32.600 -0.077 0.000 1.630 103 M HN 0.820 nan 8.290 nan 0.000 0.442 104 G N 2.090 110.864 108.800 -0.044 0.000 2.651 104 G HA2 0.079 4.047 3.960 0.013 0.000 0.260 104 G HA3 0.079 4.047 3.960 0.013 0.000 0.260 104 G C -0.380 174.505 174.900 -0.025 0.000 1.216 104 G CA -0.615 44.465 45.100 -0.032 0.000 0.913 104 G HN 0.827 nan 8.290 nan 0.000 0.535 105 N N 0.056 118.745 118.700 -0.018 0.000 2.411 105 N HA 0.143 4.891 4.740 0.013 0.000 0.261 105 N C 1.345 176.850 175.510 -0.007 0.000 1.248 105 N CA 1.288 54.329 53.050 -0.014 0.000 0.885 105 N CB 0.375 38.856 38.487 -0.010 0.000 1.062 105 N HN 1.103 nan 8.380 nan 0.000 0.471 106 G N 2.541 111.335 108.800 -0.010 0.000 2.155 106 G HA2 -0.271 3.697 3.960 0.013 0.000 0.257 106 G HA3 -0.271 3.697 3.960 0.013 0.000 0.257 106 G C 0.983 175.879 174.900 -0.006 0.000 0.983 106 G CA 0.586 45.682 45.100 -0.006 0.000 0.676 106 G HN 0.795 nan 8.290 nan 0.000 0.528 107 G N -0.035 108.756 108.800 -0.015 0.000 2.509 107 G HA2 0.132 4.099 3.960 0.013 0.000 0.218 107 G HA3 0.132 4.099 3.960 0.013 0.000 0.218 107 G C 1.652 176.539 174.900 -0.022 0.000 1.124 107 G CA 1.344 46.433 45.100 -0.019 0.000 0.776 107 G HN 0.958 nan 8.290 nan 0.000 0.547 108 L N 0.874 122.084 121.223 -0.021 0.000 2.127 108 L HA -0.044 4.303 4.340 0.013 0.000 0.211 108 L C 2.461 179.356 176.870 0.042 0.000 1.089 108 L CA 2.334 57.180 54.840 0.010 0.000 0.757 108 L CB -0.439 41.634 42.059 0.023 0.000 0.899 108 L HN 0.444 nan 8.230 nan 0.000 0.434 109 E N -0.251 119.956 120.200 0.012 0.000 2.097 109 E HA -0.260 4.098 4.350 0.013 0.000 0.196 109 E C 2.139 178.741 176.600 0.004 0.000 1.000 109 E CA 2.068 58.468 56.400 -0.001 0.000 0.804 109 E CB -0.214 29.469 29.700 -0.028 0.000 0.740 109 E HN 0.693 nan 8.360 nan 0.000 0.454 110 I N 0.566 121.140 120.570 0.007 0.000 2.286 110 I HA -0.166 4.012 4.170 0.013 0.000 0.245 110 I C 2.631 178.792 176.117 0.073 0.000 1.104 110 I CA 0.778 62.095 61.300 0.027 0.000 1.397 110 I CB -0.413 37.602 38.000 0.025 0.000 1.072 110 I HN 0.133 nan 8.210 nan 0.000 0.417 111 A N 1.304 124.163 122.820 0.065 0.000 1.933 111 A HA -0.185 4.142 4.320 0.013 0.000 0.218 111 A C 2.436 180.167 177.584 0.246 0.000 1.175 111 A CA 1.432 53.539 52.037 0.117 0.000 0.628 111 A CB -0.541 18.458 19.000 -0.003 0.000 0.814 111 A HN 0.324 nan 8.150 nan 0.000 0.444 112 R N -0.704 119.917 120.500 0.203 0.000 2.075 112 R HA 0.004 4.351 4.340 0.013 0.000 0.232 112 R C 1.979 178.321 176.300 0.071 0.000 1.126 112 R CA 1.335 57.509 56.100 0.124 0.000 0.963 112 R CB -0.484 29.850 30.300 0.056 0.000 0.858 112 R HN 0.493 nan 8.270 nan 0.000 0.435 113 L N 0.152 121.418 121.223 0.071 0.000 2.141 113 L HA -0.151 4.197 4.340 0.013 0.000 0.209 113 L C 2.641 179.639 176.870 0.213 0.000 1.094 113 L CA 0.950 55.840 54.840 0.083 0.000 0.763 113 L CB -0.334 41.729 42.059 0.007 0.000 0.908 113 L HN 0.200 nan 8.230 nan 0.000 0.437 114 S N -0.204 115.600 115.700 0.174 0.000 2.345 114 S HA -0.140 4.337 4.470 0.013 0.000 0.219 114 S C 2.190 176.789 174.600 -0.002 0.000 1.031 114 S CA 1.166 59.353 58.200 -0.021 0.000 0.984 114 S CB -0.099 63.026 63.200 -0.125 0.000 0.874 114 S HN 0.407 nan 8.310 nan 0.000 0.451 115 A N 0.808 123.668 122.820 0.066 0.000 1.908 115 A HA 0.098 4.425 4.320 0.013 0.000 0.218 115 A C 2.338 179.921 177.584 -0.001 0.000 1.181 115 A CA 1.883 53.953 52.037 0.054 0.000 0.627 115 A CB -1.634 17.418 19.000 0.086 0.000 0.818 115 A HN 0.656 nan 8.150 nan 0.000 0.445 116 G N -0.812 107.985 108.800 -0.005 0.000 2.422 116 G HA2 0.080 4.048 3.960 0.013 0.000 0.218 116 G HA3 0.080 4.048 3.960 0.013 0.000 0.218 116 G C 1.465 176.337 174.900 -0.047 0.000 1.140 116 G CA 1.193 46.264 45.100 -0.047 0.000 0.775 116 G HN 0.693 nan 8.290 nan 0.000 0.545 117 G N 1.175 109.980 108.800 0.009 0.000 2.418 117 G HA2 0.039 4.006 3.960 0.013 0.000 0.217 117 G HA3 0.039 4.006 3.960 0.013 0.000 0.217 117 G C 2.048 176.933 174.900 -0.026 0.000 1.158 117 G CA 1.492 46.604 45.100 0.020 0.000 0.771 117 G HN 0.593 nan 8.290 nan 0.000 0.545 118 A N 0.114 122.910 122.820 -0.040 0.000 1.902 118 A HA 0.051 4.379 4.320 0.013 0.000 0.217 118 A C 2.618 180.158 177.584 -0.073 0.000 1.181 118 A CA 1.924 53.928 52.037 -0.054 0.000 0.623 118 A CB -0.665 18.307 19.000 -0.046 0.000 0.818 118 A HN 0.264 nan 8.150 nan 0.000 0.443 119 V N -0.055 119.791 119.914 -0.113 0.000 2.307 119 V HA -0.230 3.897 4.120 0.013 0.000 0.245 119 V C 2.612 178.537 176.094 -0.282 0.000 1.045 119 V CA 2.415 64.570 62.300 -0.241 0.000 1.024 119 V CB -0.709 30.908 31.823 -0.343 0.000 0.651 119 V HN 0.722 nan 8.190 nan 0.000 0.449 120 E N 0.320 120.403 120.200 -0.196 0.000 2.077 120 E HA -0.229 4.129 4.350 0.013 0.000 0.193 120 E C 1.931 178.486 176.600 -0.075 0.000 0.989 120 E CA 1.370 57.683 56.400 -0.145 0.000 0.800 120 E CB -0.436 29.205 29.700 -0.099 0.000 0.746 120 E HN 0.409 nan 8.360 nan 0.000 0.452 121 L N 0.189 121.384 121.223 -0.046 0.000 2.046 121 L HA -0.105 4.242 4.340 0.013 0.000 0.208 121 L C 2.160 179.034 176.870 0.007 0.000 1.077 121 L CA 2.233 57.072 54.840 -0.002 0.000 0.747 121 L CB -1.010 41.057 42.059 0.013 0.000 0.896 121 L HN 0.148 nan 8.230 nan 0.000 0.432 122 T N -0.461 114.085 114.554 -0.013 0.000 2.746 122 T HA -0.229 4.129 4.350 0.013 0.000 0.267 122 T C 1.988 176.728 174.700 0.068 0.000 1.039 122 T CA 1.619 63.735 62.100 0.026 0.000 1.142 122 T CB -0.274 68.615 68.868 0.035 0.000 0.866 122 T HN 0.345 nan 8.240 nan 0.000 0.444 123 R N 0.889 121.414 120.500 0.042 0.000 2.083 123 R HA -0.072 4.275 4.340 0.013 0.000 0.237 123 R C 2.465 178.815 176.300 0.084 0.000 1.137 123 R CA 1.388 57.561 56.100 0.122 0.000 0.951 123 R CB -0.024 30.295 30.300 0.032 0.000 0.851 123 R HN 0.288 nan 8.270 nan 0.000 0.434 124 R N -0.299 120.228 120.500 0.046 0.000 2.200 124 R HA 0.006 4.353 4.340 0.013 0.000 0.208 124 R C 2.190 178.522 176.300 0.054 0.000 1.033 124 R CA 0.790 56.918 56.100 0.047 0.000 1.000 124 R CB 0.047 30.369 30.300 0.037 0.000 0.906 124 R HN 0.154 nan 8.270 nan 0.000 0.462 125 V N 1.212 121.161 119.914 0.058 0.000 2.379 125 V HA -0.173 3.955 4.120 0.013 0.000 0.245 125 V C 2.520 178.646 176.094 0.054 0.000 1.044 125 V CA 1.902 64.238 62.300 0.060 0.000 1.036 125 V CB -0.605 31.255 31.823 0.062 0.000 0.664 125 V HN 0.308 nan 8.190 nan 0.000 0.453 126 A N 0.885 123.741 122.820 0.059 0.000 1.902 126 A HA -0.238 4.089 4.320 0.013 0.000 0.217 126 A C 2.434 180.044 177.584 0.044 0.000 1.181 126 A CA 2.476 54.544 52.037 0.052 0.000 0.623 126 A CB -1.039 18.001 19.000 0.067 0.000 0.818 126 A HN 0.639 nan 8.150 nan 0.000 0.443 127 T N -3.818 110.767 114.554 0.051 0.000 3.051 127 T HA 0.291 4.649 4.350 0.013 0.000 0.269 127 T C 1.551 176.272 174.700 0.035 0.000 1.127 127 T CA 1.251 63.376 62.100 0.041 0.000 1.107 127 T CB -0.410 68.485 68.868 0.044 0.000 0.898 127 T HN 1.782 nan 8.240 nan 0.000 0.517 128 G N 1.192 110.015 108.800 0.038 0.000 2.179 128 G HA2 -0.348 3.619 3.960 0.013 0.000 0.260 128 G HA3 -0.348 3.619 3.960 0.013 0.000 0.260 128 G C 0.581 175.504 174.900 0.039 0.000 0.977 128 G CA 0.679 45.801 45.100 0.037 0.000 0.641 128 G HN 0.639 nan 8.290 nan 0.000 0.533 129 E N -0.452 119.773 120.200 0.041 0.000 2.077 129 E HA 0.029 4.386 4.350 0.013 0.000 0.193 129 E C 1.097 177.727 176.600 0.049 0.000 0.989 129 E CA 0.805 57.230 56.400 0.041 0.000 0.800 129 E CB -0.062 29.662 29.700 0.040 0.000 0.746 129 E HN 0.652 nan 8.360 nan 0.000 0.452 130 L N -0.200 121.056 121.223 0.056 0.000 2.319 130 L HA 0.231 4.579 4.340 0.013 0.000 0.267 130 L C 1.248 178.160 176.870 0.070 0.000 1.011 130 L CA -0.374 54.506 54.840 0.068 0.000 0.818 130 L CB 1.918 44.025 42.059 0.080 0.000 1.316 130 L HN -0.046 nan 8.230 nan 0.000 0.432 131 S N -0.176 115.571 115.700 0.079 0.000 2.458 131 S HA 0.489 4.966 4.470 0.013 0.000 0.223 131 S C 0.515 175.175 174.600 0.099 0.000 1.019 131 S CA 0.336 58.584 58.200 0.081 0.000 0.937 131 S CB 0.273 63.521 63.200 0.080 0.000 0.788 131 S HN 0.808 nan 8.310 nan 0.000 0.511 132 A N -0.830 122.063 122.820 0.121 0.000 2.483 132 A HA 0.768 5.095 4.320 0.013 0.000 0.294 132 A C -0.402 177.292 177.584 0.185 0.000 1.077 132 A CA -0.383 51.751 52.037 0.161 0.000 0.633 132 A CB 0.468 19.592 19.000 0.207 0.000 1.318 132 A HN 1.315 nan 8.150 nan 0.000 0.455 133 G N -1.828 107.119 108.800 0.244 0.000 2.523 133 G HA2 0.586 4.553 3.960 0.013 0.000 0.291 133 G HA3 0.586 4.553 3.960 0.013 0.000 0.291 133 G C -2.385 172.721 174.900 0.343 0.000 1.450 133 G CA -0.369 44.889 45.100 0.262 0.000 0.790 133 G HN 1.568 nan 8.290 nan 0.000 0.496 134 Y N 0.760 121.207 120.300 0.246 0.000 2.338 134 Y HA 0.649 5.207 4.550 0.012 0.000 0.333 134 Y C 0.094 176.079 175.900 0.142 0.000 0.968 134 Y CA -0.623 57.630 58.100 0.255 0.000 1.123 134 Y CB 1.948 40.577 38.460 0.283 0.000 1.165 134 Y HN 0.858 nan 8.280 nan 0.000 0.452 135 A N 6.106 128.946 122.820 0.034 0.000 2.253 135 A HA 0.471 4.799 4.320 0.013 0.000 0.316 135 A C -1.279 176.368 177.584 0.104 0.000 1.327 135 A CA -0.592 51.464 52.037 0.032 0.000 0.917 135 A CB 0.163 19.136 19.000 -0.045 0.000 1.162 135 A HN 0.665 nan 8.150 nan 0.000 0.535 136 L N 5.692 127.022 121.223 0.179 0.000 2.466 136 L HA 0.379 4.727 4.340 0.013 0.000 0.248 136 L C 0.186 177.120 176.870 0.107 0.000 1.240 136 L CA -0.142 54.868 54.840 0.284 0.000 1.180 136 L CB -0.225 41.940 42.059 0.176 0.000 1.413 136 L HN 0.558 nan 8.230 nan 0.000 0.406 137 V N 1.172 120.966 119.914 -0.200 0.000 2.997 137 V HA 0.743 4.871 4.120 0.013 0.000 0.311 137 V C -0.177 175.568 176.094 -0.582 0.000 1.066 137 V CA -0.605 61.178 62.300 -0.862 0.000 1.039 137 V CB 1.760 33.225 31.823 -0.597 0.000 1.081 137 V HN 0.751 nan 8.190 nan 0.000 0.467 138 N N 1.457 119.665 118.700 -0.819 0.000 2.521 138 N HA 0.542 5.290 4.740 0.013 0.000 0.269 138 N C -3.232 172.144 175.510 -0.224 0.000 1.079 138 N CA -1.071 51.805 53.050 -0.290 0.000 0.980 138 N CB 2.795 41.239 38.487 -0.071 0.000 1.667 138 N HN 0.623 nan 8.380 nan 0.000 0.498 139 P HA 0.302 nan 4.420 nan 0.000 0.272 139 P C -2.677 174.616 177.300 -0.012 0.000 1.240 139 P CA -0.811 62.276 63.100 -0.021 0.000 0.791 139 P CB 0.182 31.886 31.700 0.006 0.000 0.978 140 P HA 0.149 nan 4.420 nan 0.000 0.289 140 P C 0.430 177.794 177.300 0.106 0.000 1.299 140 P CA 0.108 63.249 63.100 0.067 0.000 0.766 140 P CB 0.493 32.273 31.700 0.133 0.000 1.226 141 G N -1.742 107.125 108.800 0.110 0.000 2.599 141 G HA2 -0.030 3.938 3.960 0.013 0.000 0.196 141 G HA3 -0.030 3.938 3.960 0.013 0.000 0.196 141 G C 1.115 176.137 174.900 0.203 0.000 1.148 141 G CA 0.321 45.516 45.100 0.159 0.000 0.809 141 G HN 0.728 nan 8.290 nan 0.000 0.764 142 H N -1.455 117.589 119.070 -0.045 0.000 2.521 142 H HA 0.136 4.700 4.556 0.013 0.000 0.286 142 H C 1.823 177.083 175.328 -0.114 0.000 1.034 142 H CA 0.810 56.802 56.048 -0.093 0.000 1.278 142 H CB -0.078 29.598 29.762 -0.144 0.000 1.386 142 H HN 0.273 nan 8.280 nan 0.000 0.567 143 H N 1.026 120.085 119.070 -0.018 0.000 2.544 143 H HA 0.337 4.902 4.556 0.014 0.000 0.269 143 H C 0.779 176.079 175.328 -0.046 0.000 0.970 143 H CA 0.505 56.474 56.048 -0.131 0.000 1.219 143 H CB 0.050 29.780 29.762 -0.053 0.000 1.421 143 H HN 0.503 nan 8.280 nan 0.000 0.555 144 A N 4.138 127.041 122.820 0.137 0.000 2.396 144 A HA 0.271 4.599 4.320 0.013 0.000 0.279 144 A C -1.956 175.692 177.584 0.108 0.000 1.165 144 A CA -1.088 51.010 52.037 0.102 0.000 0.824 144 A CB 0.408 19.495 19.000 0.145 0.000 1.100 144 A HN 0.087 nan 8.150 nan 0.000 0.516 145 P HA 0.135 nan 4.420 nan 0.000 0.306 145 P C 0.542 177.866 177.300 0.039 0.000 1.309 145 P CA -0.207 62.891 63.100 -0.003 0.000 0.759 145 P CB 0.614 32.286 31.700 -0.048 0.000 1.314 146 H N -0.344 118.664 119.070 -0.103 0.000 2.387 146 H HA -0.104 4.459 4.556 0.012 0.000 0.299 146 H C 1.244 176.606 175.328 0.056 0.000 1.099 146 H CA 2.182 58.179 56.048 -0.084 0.000 1.315 146 H CB -0.143 29.536 29.762 -0.138 0.000 1.380 146 H HN 0.352 nan 8.280 nan 0.000 0.513 147 N N -0.349 118.298 118.700 -0.087 0.000 2.338 147 N HA 0.343 5.090 4.740 0.013 0.000 0.251 147 N C -1.157 174.237 175.510 -0.193 0.000 1.199 147 N CA 0.413 53.383 53.050 -0.134 0.000 0.879 147 N CB 0.475 38.950 38.487 -0.020 0.000 1.159 147 N HN 0.369 nan 8.380 nan 0.000 0.514 148 A N -0.102 122.452 122.820 -0.443 0.000 2.586 148 A HA 0.738 5.066 4.320 0.013 0.000 0.290 148 A C -1.592 175.692 177.584 -0.501 0.000 1.086 148 A CA -0.565 51.249 52.037 -0.371 0.000 0.665 148 A CB 0.878 19.800 19.000 -0.129 0.000 1.279 148 A HN 0.147 nan 8.150 nan 0.000 0.423 149 A N 0.414 123.163 122.820 -0.120 0.000 2.312 149 A HA 0.903 5.230 4.320 0.013 0.000 0.328 149 A C -0.318 177.259 177.584 -0.011 0.000 1.158 149 A CA -0.227 51.795 52.037 -0.025 0.000 0.821 149 A CB 0.960 19.988 19.000 0.046 0.000 1.170 149 A HN 1.828 nan 8.150 nan 0.000 0.490 150 M N 1.381 120.997 119.600 0.027 0.000 2.490 150 M HA 0.496 4.984 4.480 0.013 0.000 0.286 150 M C 0.255 176.595 176.300 0.067 0.000 1.185 150 M CA 0.796 56.116 55.300 0.033 0.000 0.912 150 M CB 1.769 34.377 32.600 0.013 0.000 1.744 150 M HN 2.092 nan 8.290 nan 0.000 0.494 151 G N 3.077 111.842 108.800 -0.059 0.000 2.323 151 G HA2 -0.273 3.694 3.960 0.013 0.000 0.292 151 G HA3 -0.273 3.694 3.960 0.013 0.000 0.292 151 G C 0.116 174.891 174.900 -0.209 0.000 1.040 151 G CA 0.757 45.667 45.100 -0.317 0.000 0.942 151 G HN 1.262 nan 8.290 nan 0.000 0.506 152 F N -4.676 115.322 119.950 0.081 0.000 2.656 152 F HA -0.297 4.238 4.527 0.014 0.000 0.381 152 F C 1.221 177.065 175.800 0.074 0.000 0.603 152 F CA 0.123 58.169 58.000 0.075 0.000 1.335 152 F CB -2.001 37.077 39.000 0.129 0.000 1.836 152 F HN 0.525 nan 8.300 nan 0.000 0.290 153 C N 2.111 121.549 119.300 0.231 0.000 2.281 153 C HA 0.490 4.957 4.460 0.013 0.000 0.325 153 C C 1.768 176.781 174.990 0.038 0.000 1.282 153 C CA -0.848 58.262 59.018 0.153 0.000 1.640 153 C CB 0.665 28.524 27.740 0.198 0.000 2.288 153 C HN 0.229 nan 8.230 nan 0.000 0.507 154 I N 1.007 121.533 120.570 -0.073 0.000 2.512 154 I HA 0.238 4.415 4.170 0.013 0.000 0.247 154 I C 0.319 176.156 176.117 -0.468 0.000 1.094 154 I CA 1.219 62.315 61.300 -0.340 0.000 1.427 154 I CB -0.561 37.111 38.000 -0.545 0.000 1.149 154 I HN 0.399 nan 8.210 nan 0.000 0.438 155 F N 0.203 120.186 119.950 0.055 0.000 2.593 155 F HA 0.382 4.917 4.527 0.013 0.000 0.320 155 F C 0.725 176.660 175.800 0.224 0.000 1.060 155 F CA -1.410 56.631 58.000 0.068 0.000 0.940 155 F CB 0.444 39.484 39.000 0.066 0.000 1.268 155 F HN -0.150 nan 8.300 nan 0.000 0.475 156 N N 2.415 121.531 118.700 0.694 0.000 2.663 156 N HA 0.032 4.779 4.740 0.013 0.000 0.250 156 N C 0.553 176.230 175.510 0.278 0.000 1.129 156 N CA 0.159 53.432 53.050 0.371 0.000 0.995 156 N CB 0.035 38.676 38.487 0.257 0.000 1.324 156 N HN 0.558 nan 8.380 nan 0.000 0.512 157 N N 1.083 119.907 118.700 0.207 0.000 2.037 157 N HA -0.209 4.539 4.740 0.013 0.000 0.196 157 N C 1.651 177.215 175.510 0.091 0.000 1.034 157 N CA 2.217 55.342 53.050 0.126 0.000 0.861 157 N CB -0.594 37.923 38.487 0.050 0.000 1.039 157 N HN 0.623 nan 8.380 nan 0.000 0.427 158 T N -1.895 112.703 114.554 0.073 0.000 2.867 158 T HA 0.025 4.382 4.350 0.013 0.000 0.268 158 T C 2.109 176.886 174.700 0.129 0.000 1.057 158 T CA 1.352 63.480 62.100 0.047 0.000 1.136 158 T CB -0.372 68.494 68.868 -0.003 0.000 0.874 158 T HN 0.028 nan 8.240 nan 0.000 0.466 159 S N 0.876 116.713 115.700 0.229 0.000 2.406 159 S HA 0.046 4.524 4.470 0.013 0.000 0.228 159 S C 2.193 176.988 174.600 0.324 0.000 1.020 159 S CA 0.753 59.204 58.200 0.417 0.000 0.965 159 S CB -0.413 63.007 63.200 0.366 0.000 0.798 159 S HN 0.394 nan 8.310 nan 0.000 0.488 160 V N 2.036 122.065 119.914 0.193 0.000 2.407 160 V HA -0.177 3.951 4.120 0.013 0.000 0.248 160 V C 2.604 178.796 176.094 0.162 0.000 1.055 160 V CA 1.719 64.109 62.300 0.150 0.000 1.049 160 V CB -1.093 30.790 31.823 0.100 0.000 0.662 160 V HN 0.536 nan 8.190 nan 0.000 0.455 161 A N -0.140 122.755 122.820 0.126 0.000 1.897 161 A HA 0.011 4.339 4.320 0.013 0.000 0.215 161 A C 2.397 180.066 177.584 0.141 0.000 1.181 161 A CA 1.733 53.832 52.037 0.105 0.000 0.620 161 A CB -0.651 18.369 19.000 0.032 0.000 0.821 161 A HN 0.538 nan 8.150 nan 0.000 0.443 162 A N -0.392 122.496 122.820 0.114 0.000 1.930 162 A HA 0.168 4.495 4.320 0.013 0.000 0.217 162 A C 2.359 179.996 177.584 0.089 0.000 1.175 162 A CA 1.767 53.810 52.037 0.010 0.000 0.627 162 A CB -1.271 17.613 19.000 -0.193 0.000 0.815 162 A HN 0.675 nan 8.150 nan 0.000 0.443 163 G N -1.605 107.375 108.800 0.299 0.000 2.418 163 G HA2 -0.278 3.689 3.960 0.013 0.000 0.217 163 G HA3 -0.278 3.689 3.960 0.013 0.000 0.217 163 G C 1.544 176.563 174.900 0.198 0.000 1.158 163 G CA 1.251 46.559 45.100 0.346 0.000 0.771 163 G HN 0.590 nan 8.290 nan 0.000 0.545 164 Y N 1.937 122.285 120.300 0.079 0.000 2.181 164 Y HA 0.010 4.568 4.550 0.012 0.000 0.288 164 Y C 2.903 178.816 175.900 0.021 0.000 1.146 164 Y CA 1.534 59.658 58.100 0.039 0.000 1.164 164 Y CB -0.282 38.193 38.460 0.025 0.000 0.982 164 Y HN 0.242 nan 8.280 nan 0.000 0.515 165 A N 0.630 123.502 122.820 0.087 0.000 1.930 165 A HA -0.142 4.185 4.320 0.013 0.000 0.217 165 A C 2.293 179.827 177.584 -0.083 0.000 1.175 165 A CA 1.405 53.434 52.037 -0.013 0.000 0.627 165 A CB -0.479 18.537 19.000 0.027 0.000 0.815 165 A HN 0.388 nan 8.150 nan 0.000 0.443 166 R N -0.385 120.082 120.500 -0.055 0.000 2.066 166 R HA -0.055 4.292 4.340 0.013 0.000 0.232 166 R C 2.420 178.676 176.300 -0.072 0.000 1.131 166 R CA 1.539 57.606 56.100 -0.054 0.000 0.955 166 R CB -0.922 29.374 30.300 -0.007 0.000 0.851 166 R HN 0.532 nan 8.270 nan 0.000 0.432 167 A N 0.173 122.940 122.820 -0.089 0.000 1.849 167 A HA -0.031 4.297 4.320 0.013 0.000 0.214 167 A C 2.386 179.857 177.584 -0.189 0.000 1.269 167 A CA 1.068 53.042 52.037 -0.106 0.000 0.605 167 A CB -0.744 18.213 19.000 -0.071 0.000 0.937 167 A HN 0.075 nan 8.150 nan 0.000 0.461 168 V N 0.244 119.938 119.914 -0.367 0.000 2.379 168 V HA -0.129 3.999 4.120 0.013 0.000 0.245 168 V C 2.324 178.229 176.094 -0.315 0.000 1.044 168 V CA 1.620 63.671 62.300 -0.415 0.000 1.036 168 V CB -0.716 30.632 31.823 -0.792 0.000 0.664 168 V HN 0.494 nan 8.190 nan 0.000 0.453 169 L N 0.380 121.405 121.223 -0.331 0.000 2.554 169 L HA 0.287 4.634 4.340 0.013 0.000 0.226 169 L C 1.787 178.593 176.870 -0.106 0.000 1.137 169 L CA 0.841 55.580 54.840 -0.169 0.000 0.863 169 L CB -0.587 41.409 42.059 -0.105 0.000 0.985 169 L HN 0.549 nan 8.230 nan 0.000 0.451 170 G N 0.397 109.129 108.800 -0.113 0.000 2.153 170 G HA2 -0.313 3.655 3.960 0.013 0.000 0.252 170 G HA3 -0.313 3.655 3.960 0.013 0.000 0.252 170 G C 0.278 175.138 174.900 -0.068 0.000 0.994 170 G CA 0.007 45.060 45.100 -0.079 0.000 0.698 170 G HN 0.272 nan 8.290 nan 0.000 0.521 171 M N -0.297 119.260 119.600 -0.072 0.000 2.217 171 M HA 0.368 4.856 4.480 0.013 0.000 0.354 171 M C 1.316 177.571 176.300 -0.075 0.000 1.225 171 M CA 0.094 55.353 55.300 -0.069 0.000 1.137 171 M CB 0.899 33.460 32.600 -0.065 0.000 1.576 171 M HN 0.170 nan 8.290 nan 0.000 0.461 172 E N 1.436 121.585 120.200 -0.084 0.000 2.318 172 E HA 0.079 4.436 4.350 0.013 0.000 0.193 172 E C -0.221 176.311 176.600 -0.114 0.000 0.998 172 E CA 0.824 57.168 56.400 -0.093 0.000 0.859 172 E CB 0.557 30.197 29.700 -0.099 0.000 0.812 172 E HN 0.433 nan 8.360 nan 0.000 0.492 173 R N -0.005 120.420 120.500 -0.126 0.000 2.574 173 R HA 0.497 4.845 4.340 0.013 0.000 0.288 173 R C -1.551 174.726 176.300 -0.037 0.000 1.004 173 R CA -0.558 55.470 56.100 -0.119 0.000 0.895 173 R CB 2.503 32.577 30.300 -0.377 0.000 1.191 173 R HN -0.146 nan 8.270 nan 0.000 0.444 174 V N 1.387 121.313 119.914 0.021 0.000 2.789 174 V HA 0.745 4.873 4.120 0.013 0.000 0.311 174 V C -0.672 175.416 176.094 -0.009 0.000 1.073 174 V CA -0.877 61.400 62.300 -0.039 0.000 0.921 174 V CB 2.046 33.759 31.823 -0.183 0.000 1.009 174 V HN 0.907 nan 8.190 nan 0.000 0.426 175 A N 4.685 127.484 122.820 -0.035 0.000 2.342 175 A HA 0.910 5.238 4.320 0.013 0.000 0.323 175 A C -0.894 176.591 177.584 -0.164 0.000 1.125 175 A CA -0.533 51.431 52.037 -0.122 0.000 0.785 175 A CB 0.898 19.862 19.000 -0.060 0.000 1.221 175 A HN 0.753 nan 8.150 nan 0.000 0.463 176 I N 2.876 123.334 120.570 -0.187 0.000 2.354 176 I HA 0.269 4.446 4.170 0.013 0.000 0.286 176 I C -0.816 175.226 176.117 -0.124 0.000 1.007 176 I CA -0.608 60.597 61.300 -0.159 0.000 1.167 176 I CB 1.504 39.432 38.000 -0.120 0.000 1.320 176 I HN 0.546 nan 8.210 nan 0.000 0.458 177 L N 7.075 128.199 121.223 -0.165 0.000 2.272 177 L HA 0.501 4.849 4.340 0.013 0.000 0.289 177 L C -0.699 176.065 176.870 -0.177 0.000 1.032 177 L CA 0.161 54.927 54.840 -0.123 0.000 0.810 177 L CB 1.095 43.079 42.059 -0.126 0.000 1.205 177 L HN 0.447 nan 8.230 nan 0.000 0.422 178 D N 4.481 124.864 120.400 -0.028 0.000 2.440 178 D HA 0.224 4.871 4.640 0.013 0.000 0.239 178 D C -0.346 176.066 176.300 0.187 0.000 1.084 178 D CA -0.494 53.499 54.000 -0.011 0.000 0.843 178 D CB 0.715 41.580 40.800 0.108 0.000 1.097 178 D HN 0.596 nan 8.370 nan 0.000 0.531 179 W N 3.479 124.853 121.300 0.124 0.000 3.123 179 W HA 0.365 5.031 4.660 0.011 0.000 0.383 179 W C 0.072 176.703 176.519 0.187 0.000 1.102 179 W CA -0.965 56.508 57.345 0.212 0.000 1.865 179 W CB -0.800 28.817 29.460 0.261 0.000 1.111 179 W HN 0.152 nan 8.180 nan 0.000 0.621 180 D N 1.588 122.182 120.400 0.323 0.000 2.548 180 D HA -0.150 4.497 4.640 0.013 0.000 0.231 180 D C 1.261 177.774 176.300 0.356 0.000 1.142 180 D CA 0.502 54.643 54.000 0.235 0.000 0.866 180 D CB 2.110 42.872 40.800 -0.064 0.000 1.190 180 D HN 0.071 nan 8.370 nan 0.000 0.469 181 V N 4.120 124.182 119.914 0.247 0.000 3.078 181 V HA -0.135 3.992 4.120 0.013 0.000 0.265 181 V C 0.295 176.441 176.094 0.086 0.000 1.122 181 V CA 1.318 63.716 62.300 0.163 0.000 1.141 181 V CB -0.612 31.227 31.823 0.027 0.000 0.735 181 V HN 0.494 nan 8.190 nan 0.000 0.498 182 H N -0.999 118.369 119.070 0.497 0.000 2.483 182 H HA 0.431 4.994 4.556 0.011 0.000 0.338 182 H C -0.092 175.480 175.328 0.406 0.000 1.152 182 H CA -0.541 55.796 56.048 0.481 0.000 1.264 182 H CB 0.643 30.761 29.762 0.594 0.000 1.510 182 H HN 0.373 nan 8.280 nan 0.000 0.530 183 H N 0.809 119.957 119.070 0.130 0.000 2.929 183 H HA 0.124 4.688 4.556 0.013 0.000 0.317 183 H C 0.714 175.964 175.328 -0.129 0.000 1.031 183 H CA -0.379 55.512 56.048 -0.261 0.000 1.466 183 H CB 0.542 29.911 29.762 -0.655 0.000 1.482 183 H HN 0.859 nan 8.280 nan 0.000 0.561 184 G N 5.099 113.669 108.800 -0.382 0.000 3.197 184 G HA2 -0.124 3.843 3.960 0.013 0.000 0.257 184 G HA3 -0.124 3.843 3.960 0.013 0.000 0.257 184 G C 1.057 175.559 174.900 -0.663 0.000 0.835 184 G CA -0.030 44.788 45.100 -0.470 0.000 2.001 184 G HN 0.915 nan 8.290 nan 0.000 0.625 185 N N 0.948 119.133 118.700 -0.859 0.000 2.205 185 N HA -0.130 4.618 4.740 0.013 0.000 0.186 185 N C 2.040 177.426 175.510 -0.206 0.000 1.015 185 N CA 1.479 54.203 53.050 -0.543 0.000 0.862 185 N CB -0.461 37.858 38.487 -0.279 0.000 0.986 185 N HN 0.283 nan 8.380 nan 0.000 0.429 186 G N 0.524 109.238 108.800 -0.143 0.000 2.404 186 G HA2 -0.186 3.782 3.960 0.013 0.000 0.215 186 G HA3 -0.186 3.782 3.960 0.013 0.000 0.215 186 G C 1.513 176.410 174.900 -0.006 0.000 1.174 186 G CA 1.418 46.493 45.100 -0.042 0.000 0.780 186 G HN 0.415 nan 8.290 nan 0.000 0.537 187 T N 0.434 115.009 114.554 0.036 0.000 2.746 187 T HA -0.147 4.211 4.350 0.013 0.000 0.267 187 T C 2.258 177.094 174.700 0.227 0.000 1.039 187 T CA 1.552 63.753 62.100 0.168 0.000 1.142 187 T CB -0.224 68.757 68.868 0.189 0.000 0.866 187 T HN 0.449 nan 8.240 nan 0.000 0.444 188 Q N 0.942 120.834 119.800 0.152 0.000 2.061 188 Q HA -0.221 4.127 4.340 0.013 0.000 0.204 188 Q C 2.100 178.267 176.000 0.279 0.000 0.984 188 Q CA 2.128 58.093 55.803 0.268 0.000 0.846 188 Q CB -0.255 28.628 28.738 0.242 0.000 0.902 188 Q HN 0.555 nan 8.270 nan 0.000 0.421 189 D N -0.208 120.235 120.400 0.072 0.000 2.097 189 D HA -0.168 4.480 4.640 0.013 0.000 0.195 189 D C 1.836 178.126 176.300 -0.016 0.000 0.989 189 D CA 1.625 55.608 54.000 -0.029 0.000 0.827 189 D CB -0.154 40.585 40.800 -0.101 0.000 0.966 189 D HN 0.405 nan 8.370 nan 0.000 0.456 190 I N -0.871 119.625 120.570 -0.123 0.000 2.226 190 I HA -0.184 3.994 4.170 0.013 0.000 0.245 190 I C 1.056 176.859 176.117 -0.523 0.000 1.100 190 I CA 1.005 62.041 61.300 -0.440 0.000 1.374 190 I CB -0.184 37.390 38.000 -0.709 0.000 1.057 190 I HN 0.230 nan 8.210 nan 0.000 0.413 191 W N -0.703 120.654 121.300 0.095 0.000 3.102 191 W HA 0.118 4.785 4.660 0.012 0.000 0.401 191 W C 1.872 178.479 176.519 0.147 0.000 1.070 191 W CA -0.762 56.633 57.345 0.083 0.000 1.921 191 W CB -0.413 29.075 29.460 0.046 0.000 1.118 191 W HN 0.173 nan 8.180 nan 0.000 0.647 192 W N 1.856 123.220 121.300 0.106 0.000 2.321 192 W HA -0.244 4.424 4.660 0.013 0.000 0.306 192 W C 0.734 177.316 176.519 0.105 0.000 1.217 192 W CA 1.570 58.973 57.345 0.095 0.000 1.257 192 W CB -0.112 29.373 29.460 0.043 0.000 1.145 192 W HN -0.119 nan 8.180 nan 0.000 0.509 193 N N 0.511 119.313 118.700 0.171 0.000 2.268 193 N HA -0.022 4.726 4.740 0.013 0.000 0.204 193 N C -0.974 174.566 175.510 0.052 0.000 1.124 193 N CA 0.543 53.622 53.050 0.047 0.000 0.838 193 N CB 0.064 38.607 38.487 0.093 0.000 0.994 193 N HN 0.016 nan 8.380 nan 0.000 0.489 194 D N 0.876 121.338 120.400 0.104 0.000 2.505 194 D HA 0.197 4.845 4.640 0.013 0.000 0.250 194 D C -1.901 174.417 176.300 0.030 0.000 1.164 194 D CA -1.885 52.184 54.000 0.116 0.000 0.870 194 D CB 2.350 43.331 40.800 0.302 0.000 1.160 194 D HN -0.039 nan 8.370 nan 0.000 0.549 195 P HA -0.039 nan 4.420 nan 0.000 0.241 195 P C 0.880 178.022 177.300 -0.263 0.000 1.191 195 P CA 0.331 63.148 63.100 -0.471 0.000 0.771 195 P CB 0.227 31.471 31.700 -0.761 0.000 0.929 196 S N -1.423 114.219 115.700 -0.097 0.000 2.562 196 S HA 0.098 4.575 4.470 0.013 0.000 0.221 196 S C 0.697 175.258 174.600 -0.066 0.000 0.975 196 S CA -0.079 58.094 58.200 -0.046 0.000 0.918 196 S CB -0.580 62.589 63.200 -0.052 0.000 0.772 196 S HN -0.073 nan 8.310 nan 0.000 0.531 197 V N 2.562 122.376 119.914 -0.166 0.000 2.447 197 V HA 0.470 4.598 4.120 0.013 0.000 0.292 197 V C -0.731 175.180 176.094 -0.305 0.000 1.021 197 V CA -0.874 61.184 62.300 -0.402 0.000 0.850 197 V CB 1.437 32.546 31.823 -1.190 0.000 1.005 197 V HN 0.436 nan 8.190 nan 0.000 0.426 198 L N 6.098 127.050 121.223 -0.452 0.000 2.313 198 L HA 0.680 5.027 4.340 0.013 0.000 0.282 198 L C 0.539 177.237 176.870 -0.286 0.000 1.092 198 L CA 0.719 55.244 54.840 -0.525 0.000 0.831 198 L CB 1.288 42.653 42.059 -1.157 0.000 1.159 198 L HN 0.852 nan 8.230 nan 0.000 0.442 199 T N 3.911 118.389 114.554 -0.126 0.000 2.792 199 T HA 0.725 5.082 4.350 0.013 0.000 0.280 199 T C -0.237 174.472 174.700 0.014 0.000 0.990 199 T CA -0.499 61.588 62.100 -0.021 0.000 0.960 199 T CB 0.764 69.700 68.868 0.113 0.000 0.939 199 T HN 0.461 nan 8.240 nan 0.000 0.439 200 I N 2.314 122.898 120.570 0.023 0.000 2.466 200 I HA 0.542 4.720 4.170 0.013 0.000 0.289 200 I C -0.173 176.024 176.117 0.134 0.000 1.026 200 I CA -0.819 60.517 61.300 0.060 0.000 1.078 200 I CB 2.267 40.278 38.000 0.019 0.000 1.249 200 I HN 0.691 nan 8.210 nan 0.000 0.429 201 S N 6.601 122.432 115.700 0.218 0.000 2.561 201 S HA 0.669 5.147 4.470 0.013 0.000 0.303 201 S C -1.037 173.727 174.600 0.274 0.000 1.110 201 S CA -0.509 57.899 58.200 0.346 0.000 1.034 201 S CB 0.856 64.391 63.200 0.558 0.000 1.010 201 S HN 0.339 nan 8.310 nan 0.000 0.482 202 L N 5.904 127.278 121.223 0.252 0.000 2.307 202 L HA 0.658 5.006 4.340 0.013 0.000 0.282 202 L C -0.067 176.938 176.870 0.225 0.000 1.051 202 L CA 0.243 55.135 54.840 0.086 0.000 0.804 202 L CB 0.723 42.903 42.059 0.201 0.000 1.197 202 L HN 0.924 nan 8.230 nan 0.000 0.431 203 H N -0.506 118.667 119.070 0.172 0.000 3.037 203 H HA 0.362 4.924 4.556 0.011 0.000 0.336 203 H C -0.939 174.481 175.328 0.154 0.000 1.323 203 H CA -0.988 55.190 56.048 0.217 0.000 1.159 203 H CB 0.742 30.662 29.762 0.263 0.000 1.882 203 H HN 0.523 nan 8.280 nan 0.000 0.535 204 Q N 1.466 121.454 119.800 0.314 0.000 2.289 204 Q HA 0.023 4.371 4.340 0.013 0.000 0.273 204 Q C -0.546 175.633 176.000 0.299 0.000 1.029 204 Q CA -0.384 55.563 55.803 0.241 0.000 0.896 204 Q CB 0.306 29.165 28.738 0.203 0.000 1.182 204 Q HN 0.725 nan 8.270 nan 0.000 0.385 205 H N 5.410 124.549 119.070 0.115 0.000 3.107 205 H HA -0.035 4.529 4.556 0.012 0.000 0.301 205 H C 0.411 175.755 175.328 0.026 0.000 0.981 205 H CA 1.173 57.258 56.048 0.062 0.000 1.443 205 H CB -0.033 29.720 29.762 -0.015 0.000 1.479 205 H HN 0.830 nan 8.280 nan 0.000 0.564 206 L N 3.096 124.108 121.223 -0.351 0.000 4.232 206 L HA -0.403 3.945 4.340 0.013 0.000 0.415 206 L C 1.921 178.741 176.870 -0.082 0.000 1.168 206 L CA 0.693 55.315 54.840 -0.363 0.000 0.966 206 L CB -2.219 39.512 42.059 -0.546 0.000 2.052 206 L HN 0.661 nan 8.230 nan 0.000 0.887 207 C N -0.115 119.230 119.300 0.074 0.000 2.508 207 C HA 0.101 4.568 4.460 0.013 0.000 0.280 207 C C 0.963 176.142 174.990 0.316 0.000 1.262 207 C CA 1.330 60.481 59.018 0.221 0.000 1.706 207 C CB 0.017 27.948 27.740 0.318 0.000 2.078 207 C HN 0.480 nan 8.230 nan 0.000 0.480 208 F N 0.560 120.615 119.950 0.174 0.000 2.639 208 F HA 0.527 5.061 4.527 0.011 0.000 0.320 208 F C -2.774 173.026 175.800 0.000 0.000 1.128 208 F CA -1.646 56.346 58.000 -0.013 0.000 1.037 208 F CB 1.064 39.947 39.000 -0.195 0.000 1.288 208 F HN -0.009 nan 8.300 nan 0.000 0.463 209 P HA 0.286 nan 4.420 nan 0.000 0.274 209 P C -2.215 174.745 177.300 -0.566 0.000 1.246 209 P CA -1.130 61.131 63.100 -1.398 0.000 0.795 209 P CB 0.445 31.522 31.700 -1.038 0.000 1.006 210 P HA -0.142 nan 4.420 nan 0.000 0.218 210 P C 0.270 177.472 177.300 -0.163 0.000 1.149 210 P CA 1.754 64.733 63.100 -0.203 0.000 0.817 210 P CB 0.137 31.763 31.700 -0.122 0.000 0.785 211 D N -0.321 119.994 120.400 -0.142 0.000 2.980 211 D HA 0.236 4.884 4.640 0.013 0.000 0.333 211 D C -0.638 175.698 176.300 0.061 0.000 1.356 211 D CA -0.460 53.540 54.000 -0.001 0.000 0.847 211 D CB -0.056 40.754 40.800 0.017 0.000 1.122 211 D HN 0.020 nan 8.370 nan 0.000 0.475 212 S N -1.741 113.891 115.700 -0.113 0.000 2.588 212 S HA 0.603 5.081 4.470 0.013 0.000 0.269 212 S C 0.667 174.993 174.600 -0.456 0.000 1.157 212 S CA 0.053 58.187 58.200 -0.110 0.000 0.824 212 S CB 1.303 64.496 63.200 -0.011 0.000 1.126 212 S HN 0.534 nan 8.310 nan 0.000 0.464 213 G N 0.187 108.565 108.800 -0.703 0.000 2.141 213 G HA2 -0.188 3.779 3.960 0.013 0.000 0.231 213 G HA3 -0.188 3.779 3.960 0.013 0.000 0.231 213 G C -0.218 174.578 174.900 -0.173 0.000 0.984 213 G CA 0.169 44.633 45.100 -1.061 0.000 0.660 213 G HN 0.886 nan 8.290 nan 0.000 0.525 214 Y N 1.212 121.512 120.300 0.001 0.000 2.457 214 Y HA 0.297 4.850 4.550 0.005 0.000 0.341 214 Y C 2.088 178.026 175.900 0.065 0.000 1.240 214 Y CA 0.635 58.792 58.100 0.095 0.000 1.437 214 Y CB 0.871 39.385 38.460 0.090 0.000 1.328 214 Y HN 0.288 nan 8.280 nan 0.000 0.588 215 S N -1.551 114.265 115.700 0.194 0.000 2.555 215 S HA -0.137 4.341 4.470 0.013 0.000 0.230 215 S C 1.457 176.124 174.600 0.112 0.000 0.978 215 S CA 0.878 59.142 58.200 0.107 0.000 0.934 215 S CB -0.886 62.334 63.200 0.034 0.000 0.766 215 S HN 0.860 nan 8.310 nan 0.000 0.533 216 T N -0.755 113.892 114.554 0.155 0.000 3.113 216 T HA 0.147 4.504 4.350 0.013 0.000 0.256 216 T C 0.264 175.070 174.700 0.176 0.000 1.131 216 T CA -0.005 62.169 62.100 0.124 0.000 1.074 216 T CB -0.504 68.416 68.868 0.086 0.000 0.944 216 T HN 0.507 nan 8.240 nan 0.000 0.516 217 E N 1.455 121.802 120.200 0.244 0.000 1.996 217 E HA 0.317 4.674 4.350 0.013 0.000 0.280 217 E C 0.487 177.256 176.600 0.281 0.000 1.092 217 E CA -0.249 56.397 56.400 0.411 0.000 0.862 217 E CB 0.573 30.533 29.700 0.432 0.000 1.066 217 E HN 0.393 nan 8.360 nan 0.000 0.396 218 R N 2.341 122.863 120.500 0.038 0.000 2.565 218 R HA 0.237 4.585 4.340 0.013 0.000 0.347 218 R C 0.458 176.396 176.300 -0.604 0.000 1.010 218 R CA -0.014 55.926 56.100 -0.265 0.000 1.126 218 R CB 1.176 31.258 30.300 -0.364 0.000 1.331 218 R HN 0.674 nan 8.270 nan 0.000 0.552 219 G N 0.969 109.007 108.800 -1.271 0.000 2.685 219 G HA2 0.059 4.027 3.960 0.013 0.000 0.387 219 G HA3 0.059 4.027 3.960 0.013 0.000 0.387 219 G C -1.028 173.147 174.900 -1.208 0.000 1.324 219 G CA -0.543 43.539 45.100 -1.698 0.000 0.878 219 G HN 0.395 nan 8.290 nan 0.000 0.527 220 A N -1.274 121.037 122.820 -0.849 0.000 2.587 220 A HA 1.188 5.516 4.320 0.013 0.000 0.293 220 A C 1.341 178.872 177.584 -0.088 0.000 1.087 220 A CA 1.338 53.208 52.037 -0.279 0.000 0.692 220 A CB 0.969 19.900 19.000 -0.114 0.000 1.291 220 A HN 3.083 nan 8.150 nan 0.000 0.407 221 G N 1.221 110.021 108.800 0.000 0.000 2.611 221 G HA2 -0.329 3.639 3.960 0.013 0.000 0.301 221 G HA3 -0.329 3.639 3.960 0.013 0.000 0.301 221 G C 0.606 175.533 174.900 0.046 0.000 1.233 221 G CA 0.960 46.071 45.100 0.019 0.000 0.993 221 G HN 1.126 nan 8.290 nan 0.000 0.553 222 N N 1.590 120.310 118.700 0.033 0.000 2.453 222 N HA 0.074 4.822 4.740 0.013 0.000 0.183 222 N C 2.103 177.647 175.510 0.058 0.000 1.041 222 N CA 1.763 54.836 53.050 0.037 0.000 0.900 222 N CB -0.397 38.088 38.487 -0.003 0.000 0.961 222 N HN 0.880 nan 8.380 nan 0.000 0.443 223 G N -1.069 107.758 108.800 0.045 0.000 3.042 223 G HA2 -0.122 3.845 3.960 0.013 0.000 0.212 223 G HA3 -0.122 3.845 3.960 0.013 0.000 0.212 223 G C 0.208 175.171 174.900 0.104 0.000 1.166 223 G CA -0.247 44.894 45.100 0.068 0.000 0.767 223 G HN 0.366 nan 8.290 nan 0.000 0.546 224 H N 0.651 119.713 119.070 -0.014 0.000 3.004 224 H HA 0.253 4.817 4.556 0.012 0.000 0.316 224 H C 1.408 176.694 175.328 -0.070 0.000 1.014 224 H CA 1.425 57.413 56.048 -0.100 0.000 1.454 224 H CB 0.378 30.085 29.762 -0.093 0.000 1.472 224 H HN 0.290 nan 8.280 nan 0.000 0.571 225 G N 4.741 113.082 108.800 -0.766 0.000 2.176 225 G HA2 -0.286 3.682 3.960 0.013 0.000 0.232 225 G HA3 -0.286 3.682 3.960 0.013 0.000 0.232 225 G C 0.106 174.549 174.900 -0.761 0.000 0.986 225 G CA 0.332 45.010 45.100 -0.703 0.000 0.643 225 G HN 0.651 nan 8.290 nan 0.000 0.522 226 Y N 0.965 121.122 120.300 -0.239 0.000 2.636 226 Y HA 0.406 4.963 4.550 0.013 0.000 0.260 226 Y C 0.919 176.709 175.900 -0.184 0.000 1.177 226 Y CA -0.268 57.712 58.100 -0.200 0.000 1.209 226 Y CB 0.577 38.953 38.460 -0.140 0.000 1.166 226 Y HN 0.303 nan 8.280 nan 0.000 0.531 227 N N 1.120 119.755 118.700 -0.109 0.000 2.346 227 N HA 0.452 5.199 4.740 0.013 0.000 0.289 227 N C -1.672 173.819 175.510 -0.031 0.000 1.027 227 N CA -0.273 52.770 53.050 -0.012 0.000 0.864 227 N CB 1.314 39.848 38.487 0.077 0.000 1.370 227 N HN 0.092 nan 8.380 nan 0.000 0.481 228 I N 2.576 123.157 120.570 0.017 0.000 2.439 228 I HA 0.250 4.428 4.170 0.013 0.000 0.283 228 I C -0.757 175.416 176.117 0.092 0.000 1.023 228 I CA -0.854 60.453 61.300 0.011 0.000 1.100 228 I CB 1.555 39.529 38.000 -0.043 0.000 1.238 228 I HN 0.336 nan 8.210 nan 0.000 0.445 229 N N 5.662 124.432 118.700 0.118 0.000 2.438 229 N HA 0.381 5.128 4.740 0.013 0.000 0.282 229 N C -0.577 174.925 175.510 -0.012 0.000 1.037 229 N CA -0.346 52.799 53.050 0.158 0.000 0.942 229 N CB 2.706 41.336 38.487 0.237 0.000 1.136 229 N HN 0.214 nan 8.380 nan 0.000 0.481 230 V N 4.045 123.862 119.914 -0.161 0.000 2.260 230 V HA 0.260 4.388 4.120 0.013 0.000 0.263 230 V C -2.171 173.641 176.094 -0.469 0.000 1.036 230 V CA -1.520 60.637 62.300 -0.239 0.000 0.874 230 V CB 0.813 32.533 31.823 -0.172 0.000 1.116 230 V HN 0.498 nan 8.190 nan 0.000 0.454 231 P HA 0.331 nan 4.420 nan 0.000 0.276 231 P C -0.694 176.476 177.300 -0.217 0.000 1.235 231 P CA 0.112 63.019 63.100 -0.323 0.000 0.772 231 P CB 1.462 33.097 31.700 -0.107 0.000 0.871 232 L N 5.284 126.426 121.223 -0.135 0.000 2.341 232 L HA 0.560 4.907 4.340 0.013 0.000 0.267 232 L C -2.170 174.698 176.870 -0.004 0.000 1.009 232 L CA -2.744 52.027 54.840 -0.114 0.000 0.819 232 L CB 2.560 44.496 42.059 -0.204 0.000 1.323 232 L HN 0.179 nan 8.230 nan 0.000 0.425 233 P HA 0.258 nan 4.420 nan 0.000 0.277 233 P C -2.691 174.649 177.300 0.067 0.000 1.240 233 P CA -1.883 61.245 63.100 0.046 0.000 0.798 233 P CB 0.043 31.756 31.700 0.022 0.000 0.979 234 P HA 0.000 nan 4.420 nan 0.000 0.264 234 P C 1.104 178.446 177.300 0.069 0.000 1.179 234 P CA 1.671 64.824 63.100 0.087 0.000 0.763 234 P CB -0.219 31.529 31.700 0.080 0.000 0.806 235 G N 1.251 110.097 108.800 0.075 0.000 2.195 235 G HA2 -0.246 3.721 3.960 0.013 0.000 0.246 235 G HA3 -0.246 3.721 3.960 0.013 0.000 0.246 235 G C 0.386 175.323 174.900 0.061 0.000 0.984 235 G CA 0.004 45.137 45.100 0.055 0.000 0.633 235 G HN 0.588 nan 8.290 nan 0.000 0.525 236 S N 0.935 116.687 115.700 0.088 0.000 2.549 236 S HA 0.516 4.994 4.470 0.013 0.000 0.286 236 S C 1.021 175.720 174.600 0.164 0.000 1.314 236 S CA 0.565 58.829 58.200 0.106 0.000 1.062 236 S CB 1.322 64.578 63.200 0.094 0.000 0.865 236 S HN 1.275 nan 8.310 nan 0.000 0.498 237 G N 1.964 110.837 108.800 0.122 0.000 3.212 237 G HA2 0.269 4.237 3.960 0.013 0.000 0.188 237 G HA3 0.269 4.237 3.960 0.013 0.000 0.188 237 G C 0.533 175.486 174.900 0.089 0.000 1.254 237 G CA -0.542 44.601 45.100 0.071 0.000 0.957 237 G HN 0.534 nan 8.290 nan 0.000 0.596 238 N N 0.283 118.973 118.700 -0.015 0.000 2.104 238 N HA -0.121 4.626 4.740 0.013 0.000 0.190 238 N C 2.347 177.878 175.510 0.036 0.000 1.024 238 N CA 1.518 54.548 53.050 -0.032 0.000 0.853 238 N CB -0.507 37.946 38.487 -0.058 0.000 1.008 238 N HN 0.466 nan 8.380 nan 0.000 0.424 239 A N 0.883 123.720 122.820 0.028 0.000 1.877 239 A HA 0.025 4.352 4.320 0.013 0.000 0.216 239 A C 2.369 179.986 177.584 0.056 0.000 1.186 239 A CA 2.008 54.062 52.037 0.029 0.000 0.620 239 A CB -0.966 18.030 19.000 -0.005 0.000 0.822 239 A HN 0.316 nan 8.150 nan 0.000 0.443 240 A N -1.466 121.385 122.820 0.051 0.000 1.877 240 A HA -0.113 4.215 4.320 0.013 0.000 0.216 240 A C 2.117 179.711 177.584 0.016 0.000 1.186 240 A CA 1.666 53.718 52.037 0.025 0.000 0.620 240 A CB -0.868 18.119 19.000 -0.021 0.000 0.822 240 A HN 0.578 nan 8.150 nan 0.000 0.443 241 Y N -0.007 120.277 120.300 -0.027 0.000 2.181 241 Y HA -0.107 4.451 4.550 0.012 0.000 0.288 241 Y C 2.207 178.091 175.900 -0.028 0.000 1.146 241 Y CA 1.632 59.702 58.100 -0.050 0.000 1.164 241 Y CB -0.245 38.130 38.460 -0.142 0.000 0.982 241 Y HN 0.185 nan 8.280 nan 0.000 0.515 242 L N -1.550 119.749 121.223 0.127 0.000 2.156 242 L HA -0.195 4.153 4.340 0.013 0.000 0.208 242 L C 2.216 179.137 176.870 0.086 0.000 1.095 242 L CA 1.205 56.095 54.840 0.082 0.000 0.770 242 L CB -0.540 41.554 42.059 0.059 0.000 0.914 242 L HN 0.253 nan 8.230 nan 0.000 0.439 243 H N 0.409 119.478 119.070 -0.002 0.000 2.353 243 H HA -0.116 4.448 4.556 0.012 0.000 0.300 243 H C 2.166 177.478 175.328 -0.027 0.000 1.090 243 H CA 1.491 57.529 56.048 -0.017 0.000 1.327 243 H CB 0.164 29.908 29.762 -0.030 0.000 1.383 243 H HN 0.268 nan 8.280 nan 0.000 0.508 244 A N 0.447 123.248 122.820 -0.031 0.000 1.898 244 A HA -0.151 4.176 4.320 0.013 0.000 0.216 244 A C 2.305 179.852 177.584 -0.062 0.000 1.181 244 A CA 1.648 53.628 52.037 -0.094 0.000 0.620 244 A CB -0.435 18.485 19.000 -0.133 0.000 0.819 244 A HN 0.370 nan 8.150 nan 0.000 0.442 245 M N 0.147 119.746 119.600 -0.001 0.000 2.065 245 M HA -0.147 4.341 4.480 0.013 0.000 0.259 245 M C 1.471 177.768 176.300 -0.006 0.000 1.069 245 M CA 1.655 56.978 55.300 0.037 0.000 1.110 245 M CB -1.544 31.104 32.600 0.080 0.000 1.328 245 M HN 0.345 nan 8.290 nan 0.000 0.405 246 D N -0.271 120.102 120.400 -0.044 0.000 2.149 246 D HA -0.108 4.540 4.640 0.013 0.000 0.201 246 D C 2.246 178.479 176.300 -0.113 0.000 0.972 246 D CA 0.946 54.910 54.000 -0.060 0.000 0.835 246 D CB -0.117 40.654 40.800 -0.048 0.000 0.966 246 D HN 0.385 nan 8.370 nan 0.000 0.476 247 Q N -0.246 119.425 119.800 -0.215 0.000 2.339 247 Q HA 0.076 4.424 4.340 0.013 0.000 0.205 247 Q C 1.943 177.864 176.000 -0.132 0.000 0.925 247 Q CA 0.436 56.104 55.803 -0.225 0.000 0.898 247 Q CB 0.991 29.474 28.738 -0.424 0.000 1.013 247 Q HN 0.217 nan 8.270 nan 0.000 0.504 248 V N -1.093 118.756 119.914 -0.107 0.000 3.134 248 V HA -0.010 4.118 4.120 0.013 0.000 0.222 248 V C 2.103 178.176 176.094 -0.035 0.000 1.247 248 V CA 0.410 62.669 62.300 -0.069 0.000 1.281 248 V CB -0.170 31.609 31.823 -0.072 0.000 1.169 248 V HN -0.088 nan 8.190 nan 0.000 0.512 249 V N 0.780 120.686 119.914 -0.013 0.000 2.261 249 V HA -0.226 3.902 4.120 0.013 0.000 0.246 249 V C 2.359 178.469 176.094 0.027 0.000 1.047 249 V CA 2.273 64.586 62.300 0.022 0.000 1.015 249 V CB -0.588 31.279 31.823 0.073 0.000 0.642 249 V HN 0.404 nan 8.190 nan 0.000 0.446 250 L N -0.281 120.961 121.223 0.032 0.000 2.046 250 L HA -0.105 4.242 4.340 0.013 0.000 0.208 250 L C 0.061 176.946 176.870 0.024 0.000 1.077 250 L CA 1.650 56.512 54.840 0.037 0.000 0.747 250 L CB -1.938 40.146 42.059 0.041 0.000 0.896 250 L HN 0.349 nan 8.230 nan 0.000 0.432 251 P HA -0.190 nan 4.420 nan 0.000 0.216 251 P C 1.483 178.790 177.300 0.012 0.000 1.150 251 P CA 1.847 64.948 63.100 0.003 0.000 0.837 251 P CB -0.003 31.686 31.700 -0.017 0.000 0.786 252 A N -0.696 122.127 122.820 0.004 0.000 1.873 252 A HA -0.155 4.172 4.320 0.013 0.000 0.215 252 A C 2.225 179.841 177.584 0.054 0.000 1.186 252 A CA 1.412 53.452 52.037 0.005 0.000 0.616 252 A CB -1.636 17.347 19.000 -0.028 0.000 0.823 252 A HN 0.101 nan 8.150 nan 0.000 0.442 253 L N -1.042 120.213 121.223 0.053 0.000 2.046 253 L HA -0.197 4.151 4.340 0.013 0.000 0.208 253 L C 2.883 179.816 176.870 0.105 0.000 1.077 253 L CA 1.543 56.438 54.840 0.091 0.000 0.747 253 L CB -0.481 41.615 42.059 0.062 0.000 0.896 253 L HN 0.348 nan 8.230 nan 0.000 0.432 254 R N -0.186 120.355 120.500 0.067 0.000 2.092 254 R HA -0.102 4.246 4.340 0.013 0.000 0.231 254 R C 2.426 178.759 176.300 0.055 0.000 1.119 254 R CA 1.194 57.325 56.100 0.051 0.000 0.970 254 R CB -0.454 29.867 30.300 0.034 0.000 0.864 254 R HN 0.353 nan 8.270 nan 0.000 0.440 255 A N 0.350 123.211 122.820 0.068 0.000 1.902 255 A HA -0.211 4.116 4.320 0.013 0.000 0.217 255 A C 1.933 179.589 177.584 0.121 0.000 1.181 255 A CA 1.144 53.226 52.037 0.074 0.000 0.623 255 A CB -0.567 18.468 19.000 0.060 0.000 0.818 255 A HN 0.427 nan 8.150 nan 0.000 0.443 256 Y N -0.637 119.676 120.300 0.021 0.000 2.337 256 Y HA 0.045 4.604 4.550 0.014 0.000 0.293 256 Y C 0.469 176.382 175.900 0.021 0.000 1.123 256 Y CA 1.065 59.192 58.100 0.046 0.000 1.201 256 Y CB 0.315 38.806 38.460 0.051 0.000 1.011 256 Y HN 0.340 nan 8.280 nan 0.000 0.545 257 R N 0.073 120.562 120.500 -0.018 0.000 3.209 257 R HA -0.142 4.206 4.340 0.013 0.000 0.252 257 R C -2.788 173.398 176.300 -0.190 0.000 0.958 257 R CA 0.615 56.656 56.100 -0.098 0.000 0.651 257 R CB -2.678 27.552 30.300 -0.116 0.000 1.142 257 R HN 0.362 nan 8.270 nan 0.000 0.441 258 P HA 0.056 nan 4.420 nan 0.000 0.274 258 P C 0.236 177.511 177.300 -0.041 0.000 1.237 258 P CA -0.102 62.989 63.100 -0.015 0.000 0.793 258 P CB 0.615 32.420 31.700 0.175 0.000 0.977 259 Q N -0.230 119.538 119.800 -0.053 0.000 2.408 259 Q HA 0.201 4.549 4.340 0.013 0.000 0.205 259 Q C 0.083 176.068 176.000 -0.025 0.000 0.919 259 Q CA 0.361 56.138 55.803 -0.043 0.000 0.932 259 Q CB 0.147 28.852 28.738 -0.055 0.000 1.058 259 Q HN 0.271 nan 8.270 nan 0.000 0.517 260 L N -0.294 120.915 121.223 -0.023 0.000 2.505 260 L HA 0.486 4.834 4.340 0.013 0.000 0.259 260 L C -1.889 174.956 176.870 -0.042 0.000 0.952 260 L CA -0.646 54.177 54.840 -0.028 0.000 0.840 260 L CB 1.828 43.867 42.059 -0.033 0.000 1.358 260 L HN -0.105 nan 8.230 nan 0.000 0.409 261 I N 5.447 125.979 120.570 -0.064 0.000 2.378 261 I HA 0.471 4.649 4.170 0.013 0.000 0.291 261 I C -0.619 175.387 176.117 -0.185 0.000 0.992 261 I CA -0.384 60.849 61.300 -0.112 0.000 1.154 261 I CB 1.619 39.554 38.000 -0.108 0.000 1.315 261 I HN 0.477 nan 8.210 nan 0.000 0.448 262 I N 6.736 127.179 120.570 -0.212 0.000 2.378 262 I HA 0.364 4.542 4.170 0.013 0.000 0.291 262 I C -0.553 175.338 176.117 -0.377 0.000 0.992 262 I CA -0.854 60.287 61.300 -0.265 0.000 1.154 262 I CB 1.940 39.831 38.000 -0.181 0.000 1.315 262 I HN 0.170 nan 8.210 nan 0.000 0.448 263 V N 5.042 124.614 119.914 -0.570 0.000 2.370 263 V HA 0.383 4.511 4.120 0.013 0.000 0.283 263 V C 0.727 176.463 176.094 -0.597 0.000 1.023 263 V CA -0.619 61.240 62.300 -0.735 0.000 0.857 263 V CB 1.463 32.522 31.823 -1.274 0.000 0.985 263 V HN 0.916 nan 8.190 nan 0.000 0.443 264 G N 2.556 111.053 108.800 -0.506 0.000 2.621 264 G HA2 0.258 4.226 3.960 0.013 0.000 0.306 264 G HA3 0.258 4.226 3.960 0.013 0.000 0.306 264 G C 0.286 174.837 174.900 -0.581 0.000 0.893 264 G CA -0.044 44.812 45.100 -0.406 0.000 1.486 264 G HN 0.650 nan 8.290 nan 0.000 0.477 265 S N 2.364 117.744 115.700 -0.534 0.000 2.835 265 S HA 0.567 5.045 4.470 0.013 0.000 0.286 265 S C 0.908 175.229 174.600 -0.466 0.000 1.194 265 S CA -0.327 57.544 58.200 -0.548 0.000 1.031 265 S CB -0.218 62.904 63.200 -0.131 0.000 1.216 265 S HN 0.725 nan 8.310 nan 0.000 0.502 266 G N 2.172 110.769 108.800 -0.339 0.000 2.462 266 G HA2 0.597 4.565 3.960 0.013 0.000 0.319 266 G HA3 0.597 4.565 3.960 0.013 0.000 0.319 266 G C -0.367 174.207 174.900 -0.542 0.000 1.171 266 G CA -0.695 44.203 45.100 -0.338 0.000 0.920 266 G HN 0.696 nan 8.290 nan 0.000 0.499 267 F N -0.400 119.512 119.950 -0.062 0.000 2.764 267 F HA 0.166 4.701 4.527 0.013 0.000 0.310 267 F C 1.093 176.899 175.800 0.010 0.000 1.124 267 F CA -0.598 57.215 58.000 -0.312 0.000 1.252 267 F CB 1.024 39.664 39.000 -0.600 0.000 1.010 267 F HN 0.426 nan 8.300 nan 0.000 0.518 268 D N 0.190 120.722 120.400 0.221 0.000 2.363 268 D HA -0.026 4.622 4.640 0.013 0.000 0.226 268 D C 1.734 178.203 176.300 0.282 0.000 1.020 268 D CA 0.425 54.604 54.000 0.298 0.000 0.892 268 D CB -0.238 40.825 40.800 0.439 0.000 0.900 268 D HN 0.213 nan 8.370 nan 0.000 0.531 269 A N 0.461 123.472 122.820 0.317 0.000 2.238 269 A HA 0.151 4.478 4.320 0.013 0.000 0.208 269 A C 1.275 178.981 177.584 0.203 0.000 1.177 269 A CA 0.057 52.215 52.037 0.202 0.000 0.804 269 A CB -0.568 18.416 19.000 -0.028 0.000 0.823 269 A HN 0.285 nan 8.150 nan 0.000 0.482 270 S N -1.403 114.525 115.700 0.380 0.000 2.584 270 S HA 0.203 4.681 4.470 0.013 0.000 0.270 270 S C 1.029 175.774 174.600 0.241 0.000 1.346 270 S CA 0.298 58.733 58.200 0.392 0.000 1.018 270 S CB 0.379 63.876 63.200 0.495 0.000 0.899 270 S HN 0.335 nan 8.310 nan 0.000 0.542 271 M N 1.735 121.453 119.600 0.196 0.000 2.267 271 M HA 0.083 4.571 4.480 0.013 0.000 0.263 271 M C 0.960 177.295 176.300 0.059 0.000 1.063 271 M CA 1.710 57.050 55.300 0.066 0.000 1.090 271 M CB -0.654 31.927 32.600 -0.032 0.000 1.392 271 M HN 0.767 nan 8.290 nan 0.000 0.422 272 L N -1.090 120.201 121.223 0.112 0.000 2.857 272 L HA 0.236 4.583 4.340 0.013 0.000 0.249 272 L C 0.236 177.212 176.870 0.177 0.000 1.172 272 L CA -0.424 54.477 54.840 0.101 0.000 0.980 272 L CB -0.315 41.761 42.059 0.028 0.000 1.299 272 L HN 0.083 nan 8.230 nan 0.000 0.535 273 D N 1.987 122.513 120.400 0.211 0.000 2.350 273 D HA 0.103 4.751 4.640 0.013 0.000 0.249 273 D C -1.423 175.011 176.300 0.224 0.000 1.119 273 D CA -1.336 52.817 54.000 0.254 0.000 0.886 273 D CB 2.197 43.180 40.800 0.305 0.000 1.195 273 D HN -0.029 nan 8.370 nan 0.000 0.437 274 P HA -0.025 nan 4.420 nan 0.000 0.225 274 P C 1.349 178.750 177.300 0.168 0.000 1.156 274 P CA 0.443 63.645 63.100 0.169 0.000 0.787 274 P CB 0.532 32.317 31.700 0.142 0.000 0.802 275 L N -1.499 119.867 121.223 0.237 0.000 2.653 275 L HA 0.402 4.749 4.340 0.013 0.000 0.231 275 L C 0.871 177.950 176.870 0.348 0.000 1.153 275 L CA -0.245 54.739 54.840 0.239 0.000 0.933 275 L CB -0.061 42.078 42.059 0.134 0.000 1.175 275 L HN -0.032 nan 8.230 nan 0.000 0.473 276 A N -0.759 122.218 122.820 0.261 0.000 2.536 276 A HA 0.647 4.974 4.320 0.013 0.000 0.293 276 A C -0.452 177.230 177.584 0.162 0.000 1.119 276 A CA -0.674 51.486 52.037 0.205 0.000 0.654 276 A CB 0.999 20.085 19.000 0.142 0.000 1.291 276 A HN 0.021 nan 8.150 nan 0.000 0.439 277 R N 0.023 120.608 120.500 0.141 0.000 2.652 277 R HA 0.285 4.632 4.340 0.013 0.000 0.372 277 R C -0.375 175.990 176.300 0.108 0.000 1.104 277 R CA -0.103 56.065 56.100 0.113 0.000 1.072 277 R CB 0.092 30.451 30.300 0.098 0.000 1.367 277 R HN 0.666 nan 8.270 nan 0.000 0.577 278 M N -0.071 119.604 119.600 0.126 0.000 2.494 278 M HA 0.417 4.905 4.480 0.013 0.000 0.300 278 M C 0.957 177.300 176.300 0.072 0.000 1.189 278 M CA -0.294 55.080 55.300 0.123 0.000 0.982 278 M CB 0.893 33.598 32.600 0.175 0.000 1.534 278 M HN -0.078 nan 8.290 nan 0.000 0.488 279 M N 0.570 120.191 119.600 0.036 0.000 2.692 279 M HA 0.226 4.714 4.480 0.013 0.000 0.372 279 M C -0.623 175.637 176.300 -0.066 0.000 1.192 279 M CA -0.198 55.099 55.300 -0.006 0.000 0.928 279 M CB 0.456 33.052 32.600 -0.006 0.000 1.366 279 M HN 0.233 nan 8.290 nan 0.000 0.517 280 V N 1.682 121.501 119.914 -0.159 0.000 2.572 280 V HA 0.152 4.279 4.120 0.013 0.000 0.291 280 V C 0.924 176.942 176.094 -0.127 0.000 1.039 280 V CA -0.052 62.033 62.300 -0.358 0.000 1.055 280 V CB 0.723 31.982 31.823 -0.941 0.000 0.969 280 V HN 0.532 nan 8.190 nan 0.000 0.482 281 T N 2.009 116.508 114.554 -0.091 0.000 2.923 281 T HA 0.618 4.976 4.350 0.013 0.000 0.281 281 T C 1.320 176.131 174.700 0.186 0.000 0.995 281 T CA -0.090 62.112 62.100 0.171 0.000 0.985 281 T CB 1.706 70.655 68.868 0.134 0.000 1.114 281 T HN 0.719 nan 8.240 nan 0.000 0.548 282 A N 0.375 123.368 122.820 0.289 0.000 1.948 282 A HA -0.143 4.185 4.320 0.013 0.000 0.220 282 A C 1.969 179.630 177.584 0.128 0.000 1.177 282 A CA 2.391 54.514 52.037 0.143 0.000 0.636 282 A CB -1.444 17.577 19.000 0.036 0.000 0.815 282 A HN 1.013 nan 8.150 nan 0.000 0.449 283 D N -1.009 119.475 120.400 0.139 0.000 2.178 283 D HA -0.006 4.642 4.640 0.013 0.000 0.202 283 D C 1.930 178.239 176.300 0.016 0.000 0.974 283 D CA 1.484 55.535 54.000 0.086 0.000 0.841 283 D CB -0.371 40.511 40.800 0.138 0.000 0.953 283 D HN 0.316 nan 8.370 nan 0.000 0.478 284 G N -0.831 107.932 108.800 -0.062 0.000 2.404 284 G HA2 -0.223 3.745 3.960 0.013 0.000 0.215 284 G HA3 -0.223 3.745 3.960 0.013 0.000 0.215 284 G C 1.319 176.049 174.900 -0.284 0.000 1.174 284 G CA 0.397 45.371 45.100 -0.208 0.000 0.780 284 G HN 0.249 nan 8.290 nan 0.000 0.537 285 F N 0.751 120.612 119.950 -0.147 0.000 2.171 285 F HA 0.064 4.598 4.527 0.012 0.000 0.300 285 F C 2.681 178.427 175.800 -0.091 0.000 1.090 285 F CA 1.264 59.152 58.000 -0.186 0.000 1.293 285 F CB -0.383 38.580 39.000 -0.062 0.000 1.013 285 F HN 0.019 nan 8.300 nan 0.000 0.486 286 R N 0.538 121.111 120.500 0.122 0.000 2.094 286 R HA -0.239 4.108 4.340 0.013 0.000 0.239 286 R C 2.144 178.489 176.300 0.075 0.000 1.137 286 R CA 2.142 58.294 56.100 0.086 0.000 0.943 286 R CB -0.375 29.955 30.300 0.050 0.000 0.850 286 R HN 0.357 nan 8.270 nan 0.000 0.433 287 Q N -0.386 119.434 119.800 0.033 0.000 2.124 287 Q HA -0.164 4.183 4.340 0.013 0.000 0.202 287 Q C 2.222 178.250 176.000 0.047 0.000 0.977 287 Q CA 1.928 57.752 55.803 0.034 0.000 0.850 287 Q CB -0.065 28.679 28.738 0.010 0.000 0.901 287 Q HN 0.422 nan 8.270 nan 0.000 0.429 288 M N 0.018 119.603 119.600 -0.024 0.000 2.099 288 M HA -0.153 4.335 4.480 0.013 0.000 0.262 288 M C 2.385 178.807 176.300 0.203 0.000 1.067 288 M CA 1.533 56.801 55.300 -0.053 0.000 1.124 288 M CB -0.320 31.989 32.600 -0.485 0.000 1.353 288 M HN 0.247 nan 8.290 nan 0.000 0.410 289 A N 0.354 123.359 122.820 0.309 0.000 1.883 289 A HA -0.223 4.105 4.320 0.013 0.000 0.217 289 A C 2.097 179.925 177.584 0.407 0.000 1.186 289 A CA 2.150 54.544 52.037 0.596 0.000 0.624 289 A CB -0.664 18.601 19.000 0.442 0.000 0.822 289 A HN 0.394 nan 8.150 nan 0.000 0.444 290 R N -0.090 120.556 120.500 0.242 0.000 2.080 290 R HA -0.102 4.246 4.340 0.013 0.000 0.236 290 R C 2.271 178.681 176.300 0.183 0.000 1.137 290 R CA 2.058 58.266 56.100 0.180 0.000 0.943 290 R CB -0.508 29.861 30.300 0.116 0.000 0.846 290 R HN 0.541 nan 8.270 nan 0.000 0.431 291 R N -0.944 119.660 120.500 0.172 0.000 2.091 291 R HA -0.086 4.261 4.340 0.013 0.000 0.238 291 R C 2.159 178.570 176.300 0.184 0.000 1.136 291 R CA 2.133 58.324 56.100 0.153 0.000 0.959 291 R CB -0.406 29.975 30.300 0.134 0.000 0.856 291 R HN 0.337 nan 8.270 nan 0.000 0.437 292 T N 0.841 115.556 114.554 0.268 0.000 2.812 292 T HA -0.012 4.346 4.350 0.013 0.000 0.264 292 T C 1.896 176.720 174.700 0.207 0.000 1.042 292 T CA 0.917 63.164 62.100 0.246 0.000 1.140 292 T CB -0.096 68.965 68.868 0.321 0.000 0.870 292 T HN 0.114 nan 8.240 nan 0.000 0.445 293 I N 1.680 122.420 120.570 0.283 0.000 2.163 293 I HA -0.193 3.984 4.170 0.013 0.000 0.243 293 I C 2.295 178.506 176.117 0.156 0.000 1.085 293 I CA 1.251 62.696 61.300 0.241 0.000 1.347 293 I CB -0.383 37.783 38.000 0.276 0.000 1.044 293 I HN 0.105 nan 8.210 nan 0.000 0.408 294 D N 0.081 120.566 120.400 0.142 0.000 2.117 294 D HA -0.211 4.436 4.640 0.013 0.000 0.197 294 D C 2.210 178.561 176.300 0.086 0.000 0.987 294 D CA 1.193 55.254 54.000 0.102 0.000 0.829 294 D CB -0.672 40.183 40.800 0.092 0.000 0.961 294 D HN 0.408 nan 8.370 nan 0.000 0.460 295 C N 1.075 120.431 119.300 0.092 0.000 2.413 295 C HA -0.084 4.383 4.460 0.013 0.000 0.276 295 C C 2.908 177.935 174.990 0.061 0.000 1.236 295 C CA 1.497 60.559 59.018 0.073 0.000 1.735 295 C CB -1.099 26.688 27.740 0.077 0.000 2.031 295 C HN 0.355 nan 8.230 nan 0.000 0.474 296 A N 0.355 123.214 122.820 0.066 0.000 1.908 296 A HA 0.012 4.339 4.320 0.013 0.000 0.218 296 A C 2.474 180.089 177.584 0.051 0.000 1.181 296 A CA 2.448 54.516 52.037 0.051 0.000 0.627 296 A CB -1.199 17.834 19.000 0.055 0.000 0.818 296 A HN 0.923 nan 8.150 nan 0.000 0.445 297 A N -0.536 122.322 122.820 0.063 0.000 1.972 297 A HA -0.186 4.142 4.320 0.013 0.000 0.219 297 A C 1.816 179.426 177.584 0.042 0.000 1.169 297 A CA 1.947 54.017 52.037 0.055 0.000 0.635 297 A CB -0.455 18.582 19.000 0.061 0.000 0.810 297 A HN 0.471 nan 8.150 nan 0.000 0.446 298 D N -0.455 119.970 120.400 0.042 0.000 2.162 298 D HA -0.027 4.620 4.640 0.013 0.000 0.203 298 D C 1.871 178.186 176.300 0.025 0.000 0.967 298 D CA 1.621 55.640 54.000 0.033 0.000 0.840 298 D CB -0.057 40.764 40.800 0.035 0.000 0.972 298 D HN 0.708 nan 8.370 nan 0.000 0.482 299 I N -2.082 118.504 120.570 0.026 0.000 4.139 299 I HA 0.172 4.349 4.170 0.013 0.000 0.320 299 I C 0.734 176.856 176.117 0.008 0.000 1.290 299 I CA -0.026 61.284 61.300 0.016 0.000 1.253 299 I CB 0.494 38.506 38.000 0.021 0.000 1.122 299 I HN -0.018 nan 8.210 nan 0.000 0.421 300 C N -0.462 118.846 119.300 0.014 0.000 3.151 300 C HA 0.475 4.942 4.460 0.013 0.000 0.249 300 C C 0.102 175.100 174.990 0.014 0.000 2.249 300 C CA -0.855 58.167 59.018 0.007 0.000 1.517 300 C CB -0.998 26.743 27.740 0.001 0.000 2.989 300 C HN 0.497 nan 8.230 nan 0.000 0.476 301 D N 1.263 121.675 120.400 0.019 0.000 2.882 301 D HA -0.167 4.480 4.640 0.013 0.000 0.229 301 D C 1.501 177.822 176.300 0.035 0.000 1.167 301 D CA 2.318 56.333 54.000 0.024 0.000 0.759 301 D CB -1.415 39.396 40.800 0.018 0.000 1.088 301 D HN 1.712 nan 8.370 nan 0.000 0.425 302 G N -0.094 108.731 108.800 0.042 0.000 2.162 302 G HA2 -0.402 3.565 3.960 0.013 0.000 0.260 302 G HA3 -0.402 3.565 3.960 0.013 0.000 0.260 302 G C 0.327 175.264 174.900 0.061 0.000 0.976 302 G CA 0.352 45.487 45.100 0.059 0.000 0.655 302 G HN 0.495 nan 8.290 nan 0.000 0.533 303 R N 0.101 120.626 120.500 0.041 0.000 2.357 303 R HA 0.520 4.867 4.340 0.013 0.000 0.330 303 R C -0.039 176.272 176.300 0.019 0.000 1.102 303 R CA 0.215 56.336 56.100 0.034 0.000 0.974 303 R CB 0.284 30.596 30.300 0.020 0.000 1.002 303 R HN 0.470 nan 8.270 nan 0.000 0.463 304 I N 2.436 123.028 120.570 0.036 0.000 2.607 304 I HA 0.289 4.466 4.170 0.013 0.000 0.290 304 I C -1.329 174.802 176.117 0.022 0.000 1.129 304 I CA -0.973 60.318 61.300 -0.015 0.000 1.042 304 I CB 2.056 40.060 38.000 0.006 0.000 1.242 304 I HN 0.170 nan 8.210 nan 0.000 0.421 305 V N 7.809 127.668 119.914 -0.092 0.000 2.483 305 V HA 0.446 4.574 4.120 0.013 0.000 0.297 305 V C -0.724 175.255 176.094 -0.191 0.000 1.027 305 V CA -0.421 61.856 62.300 -0.037 0.000 0.855 305 V CB 1.525 33.320 31.823 -0.046 0.000 0.995 305 V HN 0.451 nan 8.190 nan 0.000 0.424 306 F N 3.709 123.526 119.950 -0.223 0.000 2.404 306 F HA 0.680 5.215 4.527 0.012 0.000 0.339 306 F C 0.180 175.608 175.800 -0.620 0.000 1.105 306 F CA -0.612 57.112 58.000 -0.459 0.000 1.087 306 F CB 1.903 40.552 39.000 -0.584 0.000 1.143 306 F HN 0.169 nan 8.300 nan 0.000 0.491 307 V N 2.834 122.513 119.914 -0.392 0.000 2.525 307 V HA 0.276 4.404 4.120 0.013 0.000 0.299 307 V C -0.419 175.514 176.094 -0.268 0.000 1.034 307 V CA -1.059 61.055 62.300 -0.311 0.000 0.863 307 V CB 1.498 33.202 31.823 -0.198 0.000 0.999 307 V HN 0.612 nan 8.190 nan 0.000 0.423 308 Q N 3.916 123.630 119.800 -0.144 0.000 2.300 308 Q HA 0.143 4.490 4.340 0.013 0.000 0.280 308 Q C 0.300 176.250 176.000 -0.084 0.000 1.033 308 Q CA 0.969 56.780 55.803 0.012 0.000 0.903 308 Q CB 0.634 29.499 28.738 0.212 0.000 1.195 308 Q HN 0.746 nan 8.270 nan 0.000 0.386 309 E N 2.069 122.184 120.200 -0.143 0.000 3.617 309 E HA 0.444 4.802 4.350 0.013 0.000 0.351 309 E C 0.254 176.803 176.600 -0.085 0.000 0.551 309 E CA -0.091 56.200 56.400 -0.183 0.000 2.098 309 E CB -0.583 28.871 29.700 -0.411 0.000 2.118 309 E HN 0.708 nan 8.360 nan 0.000 0.450 310 G N -1.093 107.666 108.800 -0.069 0.000 2.509 310 G HA2 0.494 4.462 3.960 0.013 0.000 0.269 310 G HA3 0.494 4.462 3.960 0.013 0.000 0.269 310 G C -0.215 174.551 174.900 -0.223 0.000 1.416 310 G CA 0.041 45.122 45.100 -0.033 0.000 1.052 310 G HN 0.557 nan 8.290 nan 0.000 0.542 311 G N -3.017 105.398 108.800 -0.642 0.000 2.957 311 G HA2 0.196 4.164 3.960 0.013 0.000 0.636 311 G HA3 0.196 4.164 3.960 0.013 0.000 0.636 311 G C -0.837 173.574 174.900 -0.816 0.000 1.401 311 G CA -0.412 44.435 45.100 -0.422 0.000 0.941 311 G HN 0.735 nan 8.290 nan 0.000 0.610 312 Y N 0.965 121.388 120.300 0.206 0.000 2.610 312 Y HA 0.488 5.046 4.550 0.014 0.000 0.254 312 Y C 1.455 177.429 175.900 0.123 0.000 1.110 312 Y CA -0.026 58.178 58.100 0.173 0.000 1.238 312 Y CB 1.329 39.907 38.460 0.198 0.000 1.322 312 Y HN 0.648 nan 8.280 nan 0.000 0.547 313 S N 4.095 119.899 115.700 0.174 0.000 2.409 313 S HA 0.182 4.659 4.470 0.013 0.000 0.308 313 S C -1.486 173.110 174.600 -0.006 0.000 1.080 313 S CA -1.570 56.703 58.200 0.123 0.000 1.081 313 S CB 0.672 63.989 63.200 0.196 0.000 1.009 313 S HN 0.063 nan 8.310 nan 0.000 0.502 314 P HA -0.101 nan 4.420 nan 0.000 0.222 314 P C 0.453 177.631 177.300 -0.204 0.000 1.147 314 P CA 1.231 64.204 63.100 -0.213 0.000 0.790 314 P CB 0.003 31.517 31.700 -0.310 0.000 0.780 315 H N -2.155 116.969 119.070 0.089 0.000 2.307 315 H HA -0.040 4.523 4.556 0.012 0.000 0.303 315 H C 2.023 177.455 175.328 0.173 0.000 1.073 315 H CA 1.392 57.518 56.048 0.130 0.000 1.338 315 H CB -0.582 29.222 29.762 0.071 0.000 1.389 315 H HN 0.149 nan 8.280 nan 0.000 0.503 316 Y N -0.123 120.174 120.300 -0.005 0.000 2.524 316 Y HA 0.085 4.643 4.550 0.012 0.000 0.270 316 Y C 2.179 178.039 175.900 -0.066 0.000 1.094 316 Y CA -0.198 57.852 58.100 -0.083 0.000 1.276 316 Y CB 0.375 38.698 38.460 -0.230 0.000 1.130 316 Y HN 0.085 nan 8.280 nan 0.000 0.536 317 L N 1.363 122.500 121.223 -0.144 0.000 2.021 317 L HA -0.187 4.160 4.340 0.013 0.000 0.215 317 L C -1.084 175.395 176.870 -0.652 0.000 1.074 317 L CA 1.843 56.457 54.840 -0.376 0.000 0.760 317 L CB -1.153 40.804 42.059 -0.170 0.000 0.889 317 L HN 0.102 nan 8.230 nan 0.000 0.433 318 P HA -0.195 nan 4.420 nan 0.000 0.216 318 P C 1.252 178.042 177.300 -0.851 0.000 1.153 318 P CA 1.743 64.475 63.100 -0.612 0.000 0.858 318 P CB -0.126 31.291 31.700 -0.472 0.000 0.789 319 F N -1.445 118.222 119.950 -0.472 0.000 2.259 319 F HA -0.136 4.398 4.527 0.012 0.000 0.298 319 F C 2.448 177.851 175.800 -0.661 0.000 1.088 319 F CA 0.762 58.495 58.000 -0.445 0.000 1.358 319 F CB -1.526 37.350 39.000 -0.206 0.000 1.040 319 F HN -0.021 nan 8.300 nan 0.000 0.505 320 C N 0.085 118.873 119.300 -0.855 0.000 2.432 320 C HA -0.089 4.379 4.460 0.013 0.000 0.277 320 C C 3.178 177.290 174.990 -1.463 0.000 1.249 320 C CA 1.238 59.630 59.018 -1.043 0.000 1.725 320 C CB -1.636 25.337 27.740 -1.279 0.000 2.028 320 C HN 0.638 nan 8.230 nan 0.000 0.477 321 G N 0.321 107.879 108.800 -2.072 0.000 2.446 321 G HA2 -0.228 3.740 3.960 0.013 0.000 0.217 321 G HA3 -0.228 3.740 3.960 0.013 0.000 0.217 321 G C 1.531 175.859 174.900 -0.954 0.000 1.168 321 G CA 1.028 44.822 45.100 -2.177 0.000 0.771 321 G HN 0.451 nan 8.290 nan 0.000 0.551 322 L N 1.378 122.186 121.223 -0.692 0.000 2.083 322 L HA 0.099 4.447 4.340 0.013 0.000 0.209 322 L C 3.116 179.870 176.870 -0.194 0.000 1.083 322 L CA 2.058 56.744 54.840 -0.257 0.000 0.752 322 L CB -0.667 41.253 42.059 -0.231 0.000 0.899 322 L HN 0.254 nan 8.230 nan 0.000 0.433 323 A N -1.211 121.475 122.820 -0.223 0.000 1.908 323 A HA -0.193 4.135 4.320 0.013 0.000 0.218 323 A C 2.265 179.810 177.584 -0.066 0.000 1.181 323 A CA 2.203 54.175 52.037 -0.107 0.000 0.627 323 A CB -1.131 17.823 19.000 -0.076 0.000 0.818 323 A HN 0.310 nan 8.150 nan 0.000 0.445 324 V N 0.506 120.367 119.914 -0.088 0.000 2.358 324 V HA -0.230 3.898 4.120 0.013 0.000 0.246 324 V C 2.442 178.491 176.094 -0.075 0.000 1.047 324 V CA 1.655 63.950 62.300 -0.009 0.000 1.035 324 V CB -0.665 31.252 31.823 0.156 0.000 0.658 324 V HN 0.512 nan 8.190 nan 0.000 0.452 325 I N 0.273 120.787 120.570 -0.093 0.000 2.163 325 I HA -0.237 3.940 4.170 0.013 0.000 0.243 325 I C 2.534 178.623 176.117 -0.047 0.000 1.085 325 I CA 1.707 62.965 61.300 -0.069 0.000 1.347 325 I CB -1.271 36.675 38.000 -0.090 0.000 1.044 325 I HN 0.471 nan 8.210 nan 0.000 0.408 326 E N 0.344 120.512 120.200 -0.054 0.000 2.153 326 E HA -0.213 4.145 4.350 0.013 0.000 0.194 326 E C 1.959 178.546 176.600 -0.022 0.000 0.988 326 E CA 0.845 57.218 56.400 -0.045 0.000 0.811 326 E CB 0.016 29.689 29.700 -0.045 0.000 0.746 326 E HN 0.442 nan 8.360 nan 0.000 0.466 327 E N 0.472 120.670 120.200 -0.003 0.000 2.208 327 E HA -0.097 4.260 4.350 0.013 0.000 0.193 327 E C 2.174 178.803 176.600 0.048 0.000 0.988 327 E CA 0.474 56.893 56.400 0.032 0.000 0.828 327 E CB -0.023 29.718 29.700 0.067 0.000 0.763 327 E HN 0.326 nan 8.360 nan 0.000 0.478 328 L N 0.784 122.027 121.223 0.033 0.000 2.027 328 L HA -0.142 4.206 4.340 0.013 0.000 0.206 328 L C 2.650 179.555 176.870 0.058 0.000 1.074 328 L CA 1.826 56.707 54.840 0.069 0.000 0.745 328 L CB -0.638 41.466 42.059 0.076 0.000 0.898 328 L HN 0.201 nan 8.230 nan 0.000 0.433 329 T N -3.778 110.791 114.554 0.024 0.000 2.985 329 T HA 0.078 4.436 4.350 0.013 0.000 0.266 329 T C 1.555 176.238 174.700 -0.027 0.000 1.076 329 T CA 0.585 62.690 62.100 0.008 0.000 1.135 329 T CB 0.000 68.857 68.868 -0.019 0.000 0.890 329 T HN 0.474 nan 8.240 nan 0.000 0.480 330 G N 0.610 109.393 108.800 -0.029 0.000 2.153 330 G HA2 -0.203 3.765 3.960 0.013 0.000 0.252 330 G HA3 -0.203 3.765 3.960 0.013 0.000 0.252 330 G C 0.027 174.870 174.900 -0.095 0.000 0.994 330 G CA 0.113 45.188 45.100 -0.041 0.000 0.698 330 G HN 0.782 nan 8.290 nan 0.000 0.521 331 V N 0.629 120.449 119.914 -0.156 0.000 2.350 331 V HA 0.565 4.693 4.120 0.013 0.000 0.285 331 V C 0.418 176.425 176.094 -0.145 0.000 1.014 331 V CA -0.686 61.475 62.300 -0.232 0.000 0.831 331 V CB 1.439 32.929 31.823 -0.554 0.000 1.000 331 V HN 0.346 nan 8.190 nan 0.000 0.433 332 R N 3.069 123.511 120.500 -0.096 0.000 2.312 332 R HA 0.405 4.752 4.340 0.013 0.000 0.310 332 R C 0.512 176.784 176.300 -0.046 0.000 1.064 332 R CA -0.080 55.985 56.100 -0.059 0.000 0.983 332 R CB 1.270 31.544 30.300 -0.043 0.000 1.139 332 R HN 0.799 nan 8.270 nan 0.000 0.536 333 S N 1.303 116.982 115.700 -0.035 0.000 2.733 333 S HA 0.204 4.681 4.470 0.013 0.000 0.247 333 S C -0.005 174.595 174.600 0.001 0.000 1.043 333 S CA -0.346 57.843 58.200 -0.019 0.000 1.066 333 S CB 0.440 63.632 63.200 -0.014 0.000 1.045 333 S HN 0.296 nan 8.310 nan 0.000 0.586 334 L N 2.428 123.658 121.223 0.012 0.000 2.455 334 L HA 0.741 5.089 4.340 0.013 0.000 0.264 334 L C -2.890 174.007 176.870 0.044 0.000 0.968 334 L CA -1.637 53.228 54.840 0.041 0.000 0.827 334 L CB 1.478 43.587 42.059 0.083 0.000 1.317 334 L HN -0.088 nan 8.230 nan 0.000 0.407 335 P HA 0.236 nan 4.420 nan 0.000 0.274 335 P C -1.424 175.882 177.300 0.010 0.000 1.237 335 P CA -0.353 62.744 63.100 -0.005 0.000 0.793 335 P CB 0.429 32.107 31.700 -0.037 0.000 0.977 336 D N 1.920 122.324 120.400 0.008 0.000 2.338 336 D HA 0.054 4.702 4.640 0.013 0.000 0.255 336 D C -1.466 174.771 176.300 -0.104 0.000 1.237 336 D CA -2.051 51.941 54.000 -0.014 0.000 0.883 336 D CB 0.415 41.321 40.800 0.178 0.000 1.087 336 D HN 0.139 nan 8.370 nan 0.000 0.485 337 P HA -0.080 nan 4.420 nan 0.000 0.237 337 P C 0.418 177.477 177.300 -0.402 0.000 1.178 337 P CA 0.618 63.480 63.100 -0.396 0.000 0.766 337 P CB -0.038 31.321 31.700 -0.570 0.000 0.876 338 Y N -2.026 118.197 120.300 -0.128 0.000 2.457 338 Y HA 0.052 4.610 4.550 0.013 0.000 0.263 338 Y C 2.624 178.550 175.900 0.043 0.000 1.164 338 Y CA 0.020 58.102 58.100 -0.031 0.000 1.274 338 Y CB -0.804 37.581 38.460 -0.124 0.000 1.097 338 Y HN 0.049 nan 8.280 nan 0.000 0.523 339 H N 0.926 120.060 119.070 0.107 0.000 2.289 339 H HA -0.164 4.400 4.556 0.013 0.000 0.296 339 H C 1.871 177.232 175.328 0.054 0.000 1.091 339 H CA 2.432 58.531 56.048 0.086 0.000 1.274 339 H CB 0.330 30.120 29.762 0.047 0.000 1.364 339 H HN 0.104 nan 8.280 nan 0.000 0.490 340 E N -0.357 119.866 120.200 0.038 0.000 2.107 340 E HA -0.136 4.221 4.350 0.013 0.000 0.191 340 E C 2.176 178.765 176.600 -0.018 0.000 0.982 340 E CA 0.618 57.005 56.400 -0.023 0.000 0.809 340 E CB -0.582 29.152 29.700 0.057 0.000 0.756 340 E HN 0.496 nan 8.360 nan 0.000 0.459 341 F N 1.616 121.511 119.950 -0.090 0.000 2.120 341 F HA -0.187 4.348 4.527 0.013 0.000 0.300 341 F C 1.978 177.717 175.800 -0.102 0.000 1.095 341 F CA 1.357 59.310 58.000 -0.080 0.000 1.249 341 F CB -0.151 38.818 39.000 -0.052 0.000 0.995 341 F HN -0.081 nan 8.300 nan 0.000 0.480 342 L N -0.731 120.332 121.223 -0.266 0.000 2.307 342 L HA 0.111 4.459 4.340 0.013 0.000 0.211 342 L C 2.591 179.275 176.870 -0.310 0.000 1.099 342 L CA 0.702 55.319 54.840 -0.371 0.000 0.816 342 L CB -0.990 40.915 42.059 -0.257 0.000 0.952 342 L HN 0.155 nan 8.230 nan 0.000 0.455 343 A N 0.453 123.082 122.820 -0.319 0.000 2.066 343 A HA -0.005 4.323 4.320 0.013 0.000 0.218 343 A C 2.219 179.685 177.584 -0.197 0.000 1.157 343 A CA 1.363 53.219 52.037 -0.301 0.000 0.670 343 A CB -0.738 17.986 19.000 -0.459 0.000 0.804 343 A HN 0.407 nan 8.150 nan 0.000 0.453 344 G N -1.274 107.412 108.800 -0.190 0.000 2.880 344 G HA2 0.071 4.038 3.960 0.013 0.000 0.209 344 G HA3 0.071 4.038 3.960 0.013 0.000 0.209 344 G C 1.346 176.157 174.900 -0.147 0.000 1.157 344 G CA 0.442 45.457 45.100 -0.142 0.000 0.779 344 G HN 0.453 nan 8.290 nan 0.000 0.539 345 M N 0.315 119.799 119.600 -0.192 0.000 2.460 345 M HA 0.197 4.685 4.480 0.013 0.000 0.263 345 M C 1.442 177.672 176.300 -0.115 0.000 1.071 345 M CA 1.008 56.205 55.300 -0.173 0.000 1.096 345 M CB -0.090 32.378 32.600 -0.220 0.000 1.408 345 M HN 0.340 nan 8.290 nan 0.000 0.463 346 G N -1.244 107.494 108.800 -0.102 0.000 2.466 346 G HA2 0.155 4.122 3.960 0.013 0.000 0.316 346 G HA3 0.155 4.122 3.960 0.013 0.000 0.316 346 G C 0.271 175.135 174.900 -0.061 0.000 1.270 346 G CA -0.570 44.487 45.100 -0.071 0.000 0.982 346 G HN 0.627 nan 8.290 nan 0.000 0.506 347 G N -1.513 107.263 108.800 -0.040 0.000 2.213 347 G HA2 -0.250 3.717 3.960 0.013 0.000 0.236 347 G HA3 -0.250 3.717 3.960 0.013 0.000 0.236 347 G C 0.855 175.742 174.900 -0.022 0.000 0.991 347 G CA 1.127 46.212 45.100 -0.025 0.000 0.629 347 G HN 1.455 nan 8.290 nan 0.000 0.517 348 N N 0.854 119.535 118.700 -0.031 0.000 2.336 348 N HA 0.118 4.866 4.740 0.013 0.000 0.189 348 N C -0.035 175.462 175.510 -0.022 0.000 1.113 348 N CA 0.937 53.972 53.050 -0.024 0.000 0.858 348 N CB 0.538 39.008 38.487 -0.028 0.000 0.970 348 N HN 0.434 nan 8.380 nan 0.000 0.471 349 T N 1.337 115.874 114.554 -0.027 0.000 2.807 349 T HA 0.255 4.613 4.350 0.013 0.000 0.279 349 T C -0.211 174.462 174.700 -0.044 0.000 0.993 349 T CA -0.585 61.495 62.100 -0.034 0.000 0.970 349 T CB 2.165 71.013 68.868 -0.034 0.000 0.950 349 T HN -0.088 nan 8.240 nan 0.000 0.441 350 L N 5.315 126.498 121.223 -0.067 0.000 2.485 350 L HA 0.326 4.673 4.340 0.013 0.000 0.279 350 L C -0.442 176.369 176.870 -0.098 0.000 1.124 350 L CA 0.112 54.889 54.840 -0.106 0.000 0.888 350 L CB -0.543 41.397 42.059 -0.200 0.000 1.217 350 L HN 0.546 nan 8.230 nan 0.000 0.464 351 L N 4.369 125.547 121.223 -0.074 0.000 2.436 351 L HA 0.191 4.538 4.340 0.013 0.000 0.265 351 L C 1.175 178.004 176.870 -0.068 0.000 1.168 351 L CA -0.707 54.098 54.840 -0.058 0.000 0.815 351 L CB 0.382 42.419 42.059 -0.038 0.000 1.109 351 L HN 0.548 nan 8.230 nan 0.000 0.462 352 D N 1.671 122.039 120.400 -0.053 0.000 2.133 352 D HA -0.183 4.465 4.640 0.013 0.000 0.195 352 D C 1.924 178.198 176.300 -0.044 0.000 0.997 352 D CA 1.796 55.766 54.000 -0.050 0.000 0.840 352 D CB 0.068 40.847 40.800 -0.035 0.000 0.947 352 D HN 0.705 nan 8.370 nan 0.000 0.452 353 A N 0.601 123.401 122.820 -0.034 0.000 1.969 353 A HA -0.167 4.161 4.320 0.013 0.000 0.218 353 A C 2.050 179.611 177.584 -0.037 0.000 1.169 353 A CA 1.292 53.312 52.037 -0.028 0.000 0.635 353 A CB -0.355 18.634 19.000 -0.018 0.000 0.810 353 A HN 0.214 nan 8.150 nan 0.000 0.445 354 E N -0.659 119.514 120.200 -0.045 0.000 2.046 354 E HA -0.152 4.206 4.350 0.013 0.000 0.190 354 E C 2.287 178.857 176.600 -0.050 0.000 0.982 354 E CA 0.894 57.263 56.400 -0.052 0.000 0.800 354 E CB -0.205 29.462 29.700 -0.055 0.000 0.756 354 E HN 0.560 nan 8.360 nan 0.000 0.449 355 R N 0.822 121.272 120.500 -0.082 0.000 2.096 355 R HA -0.216 4.131 4.340 0.013 0.000 0.240 355 R C 2.264 178.561 176.300 -0.005 0.000 1.139 355 R CA 1.598 57.651 56.100 -0.079 0.000 0.952 355 R CB -0.281 29.931 30.300 -0.147 0.000 0.854 355 R HN 0.173 nan 8.270 nan 0.000 0.436 356 A N 0.447 123.254 122.820 -0.023 0.000 1.902 356 A HA -0.099 4.229 4.320 0.013 0.000 0.217 356 A C 2.337 179.907 177.584 -0.023 0.000 1.181 356 A CA 1.686 53.714 52.037 -0.016 0.000 0.623 356 A CB -0.700 18.288 19.000 -0.021 0.000 0.818 356 A HN 0.561 nan 8.150 nan 0.000 0.443 357 A N -0.117 122.680 122.820 -0.039 0.000 1.902 357 A HA -0.070 4.257 4.320 0.013 0.000 0.217 357 A C 2.099 179.647 177.584 -0.059 0.000 1.181 357 A CA 1.552 53.549 52.037 -0.066 0.000 0.623 357 A CB -0.575 18.370 19.000 -0.091 0.000 0.818 357 A HN 0.499 nan 8.150 nan 0.000 0.443 358 I N -0.895 119.659 120.570 -0.027 0.000 2.252 358 I HA -0.184 3.994 4.170 0.013 0.000 0.245 358 I C 2.436 178.546 176.117 -0.012 0.000 1.102 358 I CA 1.509 62.799 61.300 -0.016 0.000 1.385 358 I CB -0.228 37.812 38.000 0.065 0.000 1.064 358 I HN 0.284 nan 8.210 nan 0.000 0.414 359 E N 1.362 121.572 120.200 0.017 0.000 2.204 359 E HA -0.230 4.128 4.350 0.013 0.000 0.195 359 E C 1.893 178.486 176.600 -0.012 0.000 0.990 359 E CA 1.245 57.651 56.400 0.010 0.000 0.821 359 E CB -0.108 29.606 29.700 0.024 0.000 0.750 359 E HN 0.423 nan 8.360 nan 0.000 0.477 360 E N -0.473 119.714 120.200 -0.022 0.000 2.209 360 E HA -0.164 4.194 4.350 0.013 0.000 0.196 360 E C 1.391 177.973 176.600 -0.030 0.000 0.993 360 E CA 0.834 57.219 56.400 -0.026 0.000 0.819 360 E CB -0.004 29.676 29.700 -0.034 0.000 0.745 360 E HN 0.378 nan 8.360 nan 0.000 0.477 361 I N 0.001 120.548 120.570 -0.039 0.000 3.228 361 I HA -0.084 4.094 4.170 0.013 0.000 0.279 361 I C 2.230 178.319 176.117 -0.047 0.000 1.221 361 I CA 0.445 61.718 61.300 -0.046 0.000 1.458 361 I CB -0.788 37.177 38.000 -0.058 0.000 1.105 361 I HN -0.057 nan 8.210 nan 0.000 0.445 362 V N 2.740 122.629 119.914 -0.042 0.000 2.392 362 V HA -0.165 3.963 4.120 0.013 0.000 0.249 362 V C -0.094 175.978 176.094 -0.037 0.000 1.059 362 V CA 2.123 64.397 62.300 -0.042 0.000 1.051 362 V CB -1.924 29.877 31.823 -0.036 0.000 0.658 362 V HN 0.292 nan 8.190 nan 0.000 0.455 363 P HA -0.075 nan 4.420 nan 0.000 0.222 363 P C 1.728 179.005 177.300 -0.039 0.000 1.147 363 P CA 1.072 64.156 63.100 -0.028 0.000 0.790 363 P CB -0.077 31.611 31.700 -0.019 0.000 0.780 364 L N -1.575 119.617 121.223 -0.051 0.000 2.275 364 L HA -0.104 4.244 4.340 0.013 0.000 0.215 364 L C 2.185 178.997 176.870 -0.097 0.000 1.119 364 L CA 0.856 55.650 54.840 -0.077 0.000 0.790 364 L CB -0.943 41.064 42.059 -0.087 0.000 0.919 364 L HN 0.015 nan 8.230 nan 0.000 0.443 365 L N 0.284 121.462 121.223 -0.075 0.000 2.127 365 L HA -0.203 4.145 4.340 0.013 0.000 0.211 365 L C 2.862 179.693 176.870 -0.065 0.000 1.089 365 L CA 1.108 55.906 54.840 -0.070 0.000 0.757 365 L CB -0.729 41.301 42.059 -0.048 0.000 0.899 365 L HN 0.274 nan 8.230 nan 0.000 0.434 366 A N -0.574 122.214 122.820 -0.053 0.000 2.070 366 A HA -0.184 4.144 4.320 0.013 0.000 0.220 366 A C 1.590 179.145 177.584 -0.048 0.000 1.159 366 A CA 1.617 53.631 52.037 -0.038 0.000 0.656 366 A CB -0.320 18.665 19.000 -0.025 0.000 0.800 366 A HN 0.385 nan 8.150 nan 0.000 0.453 367 D N -0.694 119.654 120.400 -0.087 0.000 2.349 367 D HA 0.230 4.877 4.640 0.013 0.000 0.214 367 D C 0.612 176.782 176.300 -0.216 0.000 1.063 367 D CA 0.026 53.957 54.000 -0.115 0.000 0.847 367 D CB 0.193 40.924 40.800 -0.116 0.000 0.933 367 D HN 0.452 nan 8.370 nan 0.000 0.513 368 I N 0.000 120.456 120.570 -0.189 0.000 2.984 368 I HA 0.000 4.178 4.170 0.013 0.000 0.288 368 I CA 0.000 61.189 61.300 -0.185 0.000 1.566 368 I CB 0.000 37.957 38.000 -0.071 0.000 1.214 368 I HN 0.000 nan 8.210 nan 0.000 0.494