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 2zyh_1_A DATA FIRST_RESID 20 DATA SEQUENCE EDFRPVVFVH GLAGSAGQFE SQGMRFAANG YPAEYVKTFE YDTISWALVV DATA SEQUENCE ETDMLFSGLG SEFGLNISQI IDPETLDKIL SKSRERLIDE TFSRLDRVID DATA SEQUENCE EALAESGADK VDLVGHAMGT FFLVRYVNSS PERAAKVAHL ILLDGVWGVD DATA SEQUENCE APEGIPTLAV FGNPKALPAL GLPEEKVVYN ATNVYFNNMT HVQLCTSPET DATA SEQUENCE FAVMFEFING YKPATTDIVP QDGDYVKVKG KFLAFATNGD VSGWLSIYPI DATA SEQUENCE DENGKRLTRL PVKFMRVKGD FEVRLRKGQL YEFQFRKDFS PIIYHYYRAP DATA SEQUENCE FVRDDLWARF LVSKPPLDVE LLILPERLSP AAKETSGLLL IRYKEMIGEY DATA SEQUENCE DEEIGGVDEV YVNGVNVCTE RICPIERAVN GLWVFDRGAD GKSDLDREVV DATA SEQUENCE RYSIMPFMSA ADLVVPAEGT ISIAVKSRTG GEESFTIPAW SADRHSIIVQ DATA SEQUENCE FSDYIV 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 20 E HA 0.000 nan 4.350 nan 0.000 0.291 20 E C 0.000 176.517 176.600 -0.139 0.000 1.382 20 E CA 0.000 56.361 56.400 -0.065 0.000 0.976 20 E CB 0.000 29.621 29.700 -0.131 0.000 0.812 21 D N 0.675 120.832 120.400 -0.406 0.000 3.035 21 D HA 0.316 4.957 4.640 0.000 0.000 0.290 21 D C -0.613 175.409 176.300 -0.463 0.000 1.360 21 D CA 0.108 53.905 54.000 -0.339 0.000 0.862 21 D CB -0.252 40.362 40.800 -0.309 0.000 1.078 21 D HN -0.086 nan 8.370 nan 0.000 0.487 22 F N 0.230 120.130 119.950 -0.083 0.000 2.556 22 F HA 0.469 4.997 4.527 0.000 0.000 0.327 22 F C 1.037 176.811 175.800 -0.044 0.000 1.059 22 F CA -0.907 56.960 58.000 -0.221 0.000 0.953 22 F CB 1.488 40.048 39.000 -0.733 0.000 1.227 22 F HN -0.423 nan 8.300 nan 0.000 0.478 23 R N 1.028 121.613 120.500 0.143 0.000 2.668 23 R HA 0.515 4.855 4.340 0.000 0.000 0.279 23 R C -2.600 173.760 176.300 0.099 0.000 0.976 23 R CA -1.804 54.337 56.100 0.068 0.000 0.978 23 R CB 1.243 31.579 30.300 0.060 0.000 1.133 23 R HN 0.261 nan 8.270 nan 0.000 0.484 24 P HA 0.035 nan 4.420 nan 0.000 0.272 24 P C -1.120 176.205 177.300 0.042 0.000 1.223 24 P CA -0.315 62.783 63.100 -0.003 0.000 0.784 24 P CB 0.747 32.358 31.700 -0.149 0.000 0.923 25 V N 2.962 122.895 119.914 0.031 0.000 2.656 25 V HA 0.527 4.647 4.120 0.000 0.000 0.307 25 V C -1.131 174.938 176.094 -0.042 0.000 1.051 25 V CA -0.791 61.483 62.300 -0.044 0.000 0.893 25 V CB 2.153 33.854 31.823 -0.204 0.000 0.999 25 V HN 0.173 nan 8.190 nan 0.000 0.426 26 V N 7.166 127.037 119.914 -0.072 0.000 2.487 26 V HA 0.495 4.615 4.120 0.000 0.000 0.298 26 V C -0.611 175.383 176.094 -0.167 0.000 1.028 26 V CA -0.558 61.688 62.300 -0.090 0.000 0.860 26 V CB 1.426 33.188 31.823 -0.101 0.000 0.991 26 V HN 0.806 nan 8.190 nan 0.000 0.427 27 F N 5.609 125.307 119.950 -0.421 0.000 2.421 27 F HA 0.789 5.316 4.527 0.000 0.000 0.337 27 F C -0.450 175.153 175.800 -0.328 0.000 1.105 27 F CA -0.655 56.986 58.000 -0.598 0.000 1.049 27 F CB 1.685 39.971 39.000 -1.191 0.000 1.139 27 F HN 0.261 nan 8.300 nan 0.000 0.479 28 V N 6.346 125.579 119.914 -1.136 0.000 2.407 28 V HA 0.243 4.363 4.120 0.000 0.000 0.291 28 V C -0.389 174.936 176.094 -1.283 0.000 1.018 28 V CA -0.781 60.926 62.300 -0.988 0.000 0.842 28 V CB 0.926 32.301 31.823 -0.747 0.000 0.996 28 V HN 0.933 nan 8.190 nan 0.000 0.426 29 H N 2.756 121.299 119.070 -0.879 0.000 2.581 29 H HA 0.772 5.329 4.556 0.000 0.000 0.369 29 H C 0.542 175.778 175.328 -0.153 0.000 1.351 29 H CA 0.229 55.994 56.048 -0.472 0.000 1.434 29 H CB 0.659 30.300 29.762 -0.201 0.000 1.558 29 H HN 0.659 nan 8.280 nan 0.000 0.608 30 G N -0.578 108.324 108.800 0.170 0.000 2.702 30 G HA2 0.373 4.333 3.960 0.000 0.000 0.254 30 G HA3 0.373 4.333 3.960 0.000 0.000 0.254 30 G C -0.841 174.148 174.900 0.148 0.000 1.380 30 G CA -0.924 44.258 45.100 0.136 0.000 1.042 30 G HN 0.736 nan 8.290 nan 0.000 0.557 31 L N 0.362 121.665 121.223 0.133 0.000 2.499 31 L HA 0.385 4.725 4.340 0.000 0.000 0.273 31 L C 1.425 178.315 176.870 0.033 0.000 1.195 31 L CA 1.486 56.363 54.840 0.062 0.000 0.882 31 L CB 0.257 42.376 42.059 0.100 0.000 1.133 31 L HN 1.769 nan 8.230 nan 0.000 0.483 32 A N 2.691 125.423 122.820 -0.146 0.000 2.861 32 A HA -0.134 4.186 4.320 0.000 0.000 0.261 32 A C 0.802 178.291 177.584 -0.157 0.000 1.351 32 A CA 1.118 53.013 52.037 -0.237 0.000 0.904 32 A CB -2.608 16.399 19.000 0.012 0.000 1.076 32 A HN 1.344 nan 8.150 nan 0.000 0.729 33 G N -1.859 106.810 108.800 -0.219 0.000 2.613 33 G HA2 0.927 4.887 3.960 0.000 0.000 0.303 33 G HA3 0.927 4.887 3.960 0.000 0.000 0.303 33 G C 0.013 174.468 174.900 -0.743 0.000 1.312 33 G CA 0.564 45.480 45.100 -0.306 0.000 1.036 33 G HN 2.120 nan 8.290 nan 0.000 0.513 34 S N -3.174 112.148 115.700 -0.629 0.000 2.683 34 S HA 0.546 5.016 4.470 0.000 0.000 0.269 34 S C 1.056 175.571 174.600 -0.143 0.000 1.165 34 S CA 0.536 58.380 58.200 -0.593 0.000 0.840 34 S CB 0.820 63.822 63.200 -0.330 0.000 1.169 34 S HN 1.683 nan 8.310 nan 0.000 0.490 35 A N 0.409 123.222 122.820 -0.011 0.000 2.178 35 A HA 0.243 4.563 4.320 0.000 0.000 0.218 35 A C 2.029 179.643 177.584 0.049 0.000 1.157 35 A CA 1.792 53.918 52.037 0.149 0.000 0.689 35 A CB -1.699 17.406 19.000 0.174 0.000 0.787 35 A HN 1.490 nan 8.150 nan 0.000 0.465 36 G N -0.881 107.864 108.800 -0.091 0.000 2.462 36 G HA2 -0.200 3.760 3.960 0.000 0.000 0.220 36 G HA3 -0.200 3.760 3.960 0.000 0.000 0.220 36 G C 1.364 176.070 174.900 -0.322 0.000 1.121 36 G CA 1.013 46.021 45.100 -0.153 0.000 0.758 36 G HN 0.581 nan 8.290 nan 0.000 0.559 37 Q N -1.262 118.300 119.800 -0.397 0.000 2.482 37 Q HA 0.228 4.569 4.340 0.000 0.000 0.209 37 Q C 0.948 176.716 176.000 -0.387 0.000 0.961 37 Q CA 0.257 55.821 55.803 -0.398 0.000 0.945 37 Q CB -0.026 28.543 28.738 -0.282 0.000 1.012 37 Q HN 0.495 nan 8.270 nan 0.000 0.515 38 F N -0.819 118.760 119.950 -0.618 0.000 2.729 38 F HA 0.247 4.775 4.527 0.000 0.000 0.315 38 F C 1.521 176.986 175.800 -0.558 0.000 1.102 38 F CA -0.407 57.129 58.000 -0.773 0.000 1.204 38 F CB 0.565 38.930 39.000 -1.058 0.000 1.052 38 F HN 0.047 nan 8.300 nan 0.000 0.551 39 E N -0.238 119.816 120.200 -0.244 0.000 2.031 39 E HA -0.174 4.176 4.350 0.000 0.000 0.193 39 E C 1.931 178.378 176.600 -0.255 0.000 0.994 39 E CA 1.863 58.197 56.400 -0.112 0.000 0.800 39 E CB 0.037 29.788 29.700 0.086 0.000 0.752 39 E HN 0.249 nan 8.360 nan 0.000 0.447 40 S N 0.650 116.189 115.700 -0.268 0.000 2.382 40 S HA -0.143 4.327 4.470 0.000 0.000 0.228 40 S C 1.876 176.146 174.600 -0.550 0.000 1.027 40 S CA 0.975 58.990 58.200 -0.308 0.000 0.991 40 S CB -0.159 62.897 63.200 -0.240 0.000 0.823 40 S HN 0.302 nan 8.310 nan 0.000 0.469 41 Q N 0.803 120.142 119.800 -0.768 0.000 2.124 41 Q HA -0.027 4.313 4.340 0.000 0.000 0.202 41 Q C 2.447 177.914 176.000 -0.888 0.000 0.977 41 Q CA 1.509 56.715 55.803 -0.996 0.000 0.850 41 Q CB -1.126 26.715 28.738 -1.494 0.000 0.901 41 Q HN 0.603 nan 8.270 nan 0.000 0.429 42 G N 0.852 109.027 108.800 -1.040 0.000 2.440 42 G HA2 -0.239 3.721 3.960 0.000 0.000 0.218 42 G HA3 -0.239 3.721 3.960 0.000 0.000 0.218 42 G C 1.527 176.035 174.900 -0.653 0.000 1.154 42 G CA 0.812 45.208 45.100 -1.174 0.000 0.767 42 G HN 0.235 nan 8.290 nan 0.000 0.552 43 M N -0.175 119.166 119.600 -0.431 0.000 2.213 43 M HA -0.007 4.474 4.480 0.000 0.000 0.263 43 M C 2.759 178.888 176.300 -0.284 0.000 1.062 43 M CA 1.061 56.291 55.300 -0.117 0.000 1.105 43 M CB -0.185 32.398 32.600 -0.028 0.000 1.385 43 M HN 0.163 nan 8.290 nan 0.000 0.417 44 R N -0.521 119.623 120.500 -0.592 0.000 2.073 44 R HA -0.054 4.286 4.340 0.000 0.000 0.229 44 R C 2.022 177.867 176.300 -0.759 0.000 1.120 44 R CA 1.315 56.848 56.100 -0.945 0.000 0.967 44 R CB -0.399 28.776 30.300 -1.876 0.000 0.862 44 R HN 0.278 nan 8.270 nan 0.000 0.436 45 F N 0.906 120.536 119.950 -0.535 0.000 2.095 45 F HA -0.226 4.301 4.527 0.000 0.000 0.298 45 F C 2.677 178.372 175.800 -0.174 0.000 1.104 45 F CA 1.287 59.087 58.000 -0.333 0.000 1.232 45 F CB -0.335 38.286 39.000 -0.632 0.000 0.987 45 F HN 0.094 nan 8.300 nan 0.000 0.475 46 A N -0.052 122.818 122.820 0.083 0.000 1.933 46 A HA -0.115 4.205 4.320 0.000 0.000 0.218 46 A C 2.290 179.926 177.584 0.087 0.000 1.175 46 A CA 1.591 53.711 52.037 0.139 0.000 0.628 46 A CB -1.267 17.840 19.000 0.178 0.000 0.814 46 A HN 0.324 nan 8.150 nan 0.000 0.444 47 A N -0.292 122.523 122.820 -0.008 0.000 2.125 47 A HA -0.122 4.198 4.320 0.000 0.000 0.219 47 A C 1.423 179.020 177.584 0.020 0.000 1.156 47 A CA 1.579 53.603 52.037 -0.022 0.000 0.671 47 A CB -0.583 18.348 19.000 -0.115 0.000 0.794 47 A HN 0.635 nan 8.150 nan 0.000 0.459 48 N N -1.561 117.179 118.700 0.065 0.000 2.251 48 N HA 0.378 5.118 4.740 0.000 0.000 0.217 48 N C 0.816 176.528 175.510 0.338 0.000 1.124 48 N CA 0.769 53.917 53.050 0.164 0.000 0.843 48 N CB 0.804 39.351 38.487 0.100 0.000 1.024 48 N HN 0.481 nan 8.380 nan 0.000 0.501 49 G N -0.663 108.311 108.800 0.290 0.000 2.218 49 G HA2 -0.267 3.693 3.960 0.000 0.000 0.216 49 G HA3 -0.267 3.693 3.960 0.000 0.000 0.216 49 G C -0.397 174.706 174.900 0.338 0.000 0.994 49 G CA -0.585 44.745 45.100 0.384 0.000 0.637 49 G HN 0.224 nan 8.290 nan 0.000 0.505 50 Y N 1.796 122.049 120.300 -0.078 0.000 2.411 50 Y HA 0.465 5.015 4.550 0.001 0.000 0.333 50 Y C -1.749 174.106 175.900 -0.075 0.000 1.186 50 Y CA -1.748 56.267 58.100 -0.142 0.000 1.381 50 Y CB 0.575 38.944 38.460 -0.151 0.000 1.273 50 Y HN -0.026 nan 8.280 nan 0.000 0.546 51 P HA 0.077 nan 4.420 nan 0.000 0.271 51 P C -0.094 177.239 177.300 0.054 0.000 1.220 51 P CA 0.280 63.286 63.100 -0.156 0.000 0.768 51 P CB 1.140 32.512 31.700 -0.547 0.000 0.848 52 A N 4.927 127.831 122.820 0.140 0.000 1.948 52 A HA -0.222 4.098 4.320 0.000 0.000 0.220 52 A C 1.721 179.497 177.584 0.321 0.000 1.177 52 A CA 1.570 53.775 52.037 0.280 0.000 0.636 52 A CB -0.861 18.251 19.000 0.187 0.000 0.815 52 A HN 0.653 nan 8.150 nan 0.000 0.449 53 E N -1.205 119.122 120.200 0.211 0.000 2.472 53 E HA -0.181 4.170 4.350 0.000 0.000 0.200 53 E C 0.931 177.769 176.600 0.397 0.000 1.046 53 E CA 0.750 57.293 56.400 0.239 0.000 0.871 53 E CB -0.500 29.299 29.700 0.165 0.000 0.806 53 E HN 0.697 nan 8.360 nan 0.000 0.533 54 Y N 0.987 121.405 120.300 0.198 0.000 2.546 54 Y HA 0.107 4.658 4.550 0.000 0.000 0.287 54 Y C 0.883 176.888 175.900 0.175 0.000 1.158 54 Y CA -0.453 57.755 58.100 0.181 0.000 1.307 54 Y CB 0.420 39.008 38.460 0.214 0.000 1.036 54 Y HN -0.187 nan 8.280 nan 0.000 0.532 55 V N 2.729 122.873 119.914 0.383 0.000 2.333 55 V HA 0.265 4.385 4.120 0.000 0.000 0.274 55 V C -0.063 176.262 176.094 0.385 0.000 1.028 55 V CA -0.922 61.536 62.300 0.264 0.000 0.851 55 V CB 0.934 32.847 31.823 0.149 0.000 1.000 55 V HN -0.101 nan 8.190 nan 0.000 0.456 56 K N 2.839 123.378 120.400 0.232 0.000 2.221 56 K HA 0.775 5.095 4.320 0.000 0.000 0.243 56 K C -0.025 176.682 176.600 0.179 0.000 0.968 56 K CA -0.539 55.882 56.287 0.224 0.000 0.846 56 K CB 2.386 34.962 32.500 0.126 0.000 1.141 56 K HN 0.760 nan 8.250 nan 0.000 0.434 57 T N -2.170 112.506 114.554 0.202 0.000 2.907 57 T HA 0.655 5.005 4.350 0.000 0.000 0.292 57 T C -0.957 173.827 174.700 0.140 0.000 1.043 57 T CA -0.781 61.427 62.100 0.179 0.000 1.003 57 T CB 1.006 70.030 68.868 0.259 0.000 1.084 57 T HN 0.388 nan 8.240 nan 0.000 0.483 58 F N 1.116 121.015 119.950 -0.085 0.000 2.460 58 F HA 0.615 5.142 4.527 0.000 0.000 0.341 58 F C -0.429 175.314 175.800 -0.093 0.000 1.130 58 F CA -0.711 57.206 58.000 -0.139 0.000 0.962 58 F CB 1.449 40.269 39.000 -0.300 0.000 1.171 58 F HN 0.745 nan 8.300 nan 0.000 0.436 59 E N 5.642 125.489 120.200 -0.589 0.000 2.207 59 E HA 0.469 4.819 4.350 0.000 0.000 0.270 59 E C -1.614 174.720 176.600 -0.443 0.000 0.927 59 E CA -0.841 55.405 56.400 -0.256 0.000 0.799 59 E CB 2.448 32.082 29.700 -0.110 0.000 1.172 59 E HN 0.646 nan 8.360 nan 0.000 0.404 60 Y N -1.497 118.622 120.300 -0.303 0.000 2.670 60 Y HA 0.368 4.919 4.550 0.000 0.000 0.334 60 Y C -1.158 174.716 175.900 -0.042 0.000 1.185 60 Y CA -1.525 56.424 58.100 -0.251 0.000 1.053 60 Y CB 0.938 39.214 38.460 -0.307 0.000 1.298 60 Y HN 0.271 nan 8.280 nan 0.000 0.459 61 D N 1.645 122.060 120.400 0.025 0.000 2.344 61 D HA 0.094 4.734 4.640 0.000 0.000 0.253 61 D C 1.095 177.413 176.300 0.030 0.000 1.255 61 D CA 0.640 54.631 54.000 -0.014 0.000 0.894 61 D CB 1.524 42.372 40.800 0.080 0.000 1.067 61 D HN 0.811 nan 8.370 nan 0.000 0.492 62 T N 1.648 116.102 114.554 -0.166 0.000 3.023 62 T HA -0.072 4.278 4.350 0.000 0.000 0.266 62 T C 1.967 176.694 174.700 0.045 0.000 1.093 62 T CA 0.124 62.183 62.100 -0.069 0.000 1.129 62 T CB 0.069 68.805 68.868 -0.221 0.000 0.899 62 T HN 0.316 nan 8.240 nan 0.000 0.491 63 I N 2.181 122.734 120.570 -0.028 0.000 2.133 63 I HA -0.055 4.115 4.170 0.000 0.000 0.238 63 I C 2.819 179.021 176.117 0.141 0.000 1.074 63 I CA 0.961 62.266 61.300 0.007 0.000 1.342 63 I CB -1.553 36.433 38.000 -0.023 0.000 1.053 63 I HN 0.277 nan 8.210 nan 0.000 0.404 64 S N 0.014 115.804 115.700 0.150 0.000 2.368 64 S HA -0.202 4.268 4.470 0.000 0.000 0.225 64 S C 1.766 176.489 174.600 0.204 0.000 1.030 64 S CA 0.936 59.234 58.200 0.163 0.000 0.999 64 S CB -0.359 62.936 63.200 0.158 0.000 0.844 64 S HN 0.514 nan 8.310 nan 0.000 0.459 65 W N 2.252 123.645 121.300 0.155 0.000 2.355 65 W HA -0.178 4.483 4.660 0.000 0.000 0.309 65 W C 2.504 179.114 176.519 0.152 0.000 1.206 65 W CA 1.455 58.919 57.345 0.199 0.000 1.284 65 W CB -0.589 29.110 29.460 0.398 0.000 1.145 65 W HN 0.349 nan 8.180 nan 0.000 0.502 66 A N 0.675 123.685 122.820 0.318 0.000 1.877 66 A HA -0.203 4.118 4.320 0.000 0.000 0.216 66 A C 2.172 179.823 177.584 0.111 0.000 1.186 66 A CA 1.866 54.027 52.037 0.207 0.000 0.620 66 A CB -1.187 17.970 19.000 0.260 0.000 0.822 66 A HN 0.340 nan 8.150 nan 0.000 0.443 67 L N -0.828 120.483 121.223 0.147 0.000 2.109 67 L HA -0.103 4.237 4.340 0.000 0.000 0.207 67 L C 2.346 179.231 176.870 0.024 0.000 1.086 67 L CA 0.811 55.722 54.840 0.119 0.000 0.760 67 L CB -0.306 41.843 42.059 0.151 0.000 0.910 67 L HN 0.257 nan 8.230 nan 0.000 0.437 68 V N -1.643 118.244 119.914 -0.046 0.000 2.575 68 V HA -0.066 4.054 4.120 0.000 0.000 0.242 68 V C 1.992 177.940 176.094 -0.242 0.000 1.045 68 V CA 0.843 63.068 62.300 -0.125 0.000 1.065 68 V CB 0.773 32.519 31.823 -0.127 0.000 0.717 68 V HN 0.131 nan 8.190 nan 0.000 0.467 69 V N -0.884 118.781 119.914 -0.416 0.000 2.788 69 V HA 0.145 4.265 4.120 0.000 0.000 0.241 69 V C 1.276 177.173 176.094 -0.327 0.000 1.083 69 V CA 0.753 62.716 62.300 -0.561 0.000 1.103 69 V CB -0.130 30.896 31.823 -1.327 0.000 0.800 69 V HN 0.456 nan 8.190 nan 0.000 0.476 70 E N 0.557 120.616 120.200 -0.235 0.000 2.411 70 E HA 0.164 4.515 4.350 0.000 0.000 0.228 70 E C 1.302 177.861 176.600 -0.067 0.000 1.169 70 E CA 0.031 56.360 56.400 -0.119 0.000 1.421 70 E CB 0.280 29.932 29.700 -0.081 0.000 1.333 70 E HN 0.486 nan 8.360 nan 0.000 0.434 71 T N 0.343 114.879 114.554 -0.030 0.000 2.803 71 T HA -0.168 4.183 4.350 0.000 0.000 0.269 71 T C 1.398 176.152 174.700 0.091 0.000 1.052 71 T CA 1.046 63.190 62.100 0.072 0.000 1.136 71 T CB 0.123 69.031 68.868 0.065 0.000 0.864 71 T HN 0.149 nan 8.240 nan 0.000 0.467 72 D N 0.991 121.399 120.400 0.013 0.000 2.087 72 D HA -0.088 4.552 4.640 0.000 0.000 0.192 72 D C 2.024 178.307 176.300 -0.029 0.000 0.993 72 D CA 1.012 55.016 54.000 0.007 0.000 0.828 72 D CB -0.349 40.443 40.800 -0.013 0.000 0.968 72 D HN 0.310 nan 8.370 nan 0.000 0.448 73 M N -0.051 119.475 119.600 -0.123 0.000 2.149 73 M HA -0.196 4.285 4.480 0.000 0.000 0.261 73 M C 2.062 178.262 176.300 -0.167 0.000 1.064 73 M CA 1.111 56.287 55.300 -0.207 0.000 1.102 73 M CB -0.085 32.225 32.600 -0.484 0.000 1.369 73 M HN 0.014 nan 8.290 nan 0.000 0.408 74 L N 0.104 121.221 121.223 -0.178 0.000 2.083 74 L HA -0.086 4.254 4.340 0.000 0.000 0.209 74 L C 0.970 177.478 176.870 -0.604 0.000 1.083 74 L CA 1.976 56.600 54.840 -0.359 0.000 0.752 74 L CB -0.437 41.395 42.059 -0.378 0.000 0.899 74 L HN 0.348 nan 8.230 nan 0.000 0.433 75 F N -2.716 117.197 119.950 -0.062 0.000 2.735 75 F HA 0.325 4.852 4.527 0.000 0.000 0.304 75 F C 1.051 176.828 175.800 -0.039 0.000 1.119 75 F CA -0.056 57.910 58.000 -0.057 0.000 1.280 75 F CB 0.334 39.295 39.000 -0.065 0.000 0.994 75 F HN -0.090 nan 8.300 nan 0.000 0.520 76 S N -0.297 115.439 115.700 0.060 0.000 2.598 76 S HA 0.403 4.873 4.470 0.000 0.000 0.209 76 S C 1.198 175.804 174.600 0.009 0.000 1.029 76 S CA 0.281 58.506 58.200 0.042 0.000 1.172 76 S CB -0.413 62.810 63.200 0.039 0.000 1.427 76 S HN 0.602 nan 8.310 nan 0.000 0.418 77 G N 1.989 110.792 108.800 0.005 0.000 2.524 77 G HA2 -0.392 3.569 3.960 0.000 0.000 0.252 77 G HA3 -0.392 3.569 3.960 0.000 0.000 0.252 77 G C 1.061 175.973 174.900 0.019 0.000 0.990 77 G CA 1.341 46.454 45.100 0.022 0.000 0.653 77 G HN 0.664 nan 8.290 nan 0.000 0.576 78 L N 0.208 121.409 121.223 -0.037 0.000 2.151 78 L HA -0.025 4.315 4.340 0.000 0.000 0.215 78 L C 2.413 179.297 176.870 0.023 0.000 1.084 78 L CA 1.718 56.519 54.840 -0.065 0.000 0.764 78 L CB -0.773 41.254 42.059 -0.054 0.000 0.891 78 L HN 0.524 nan 8.230 nan 0.000 0.435 79 G N -1.581 107.197 108.800 -0.035 0.000 3.134 79 G HA2 0.422 4.382 3.960 0.000 0.000 0.158 79 G HA3 0.422 4.382 3.960 0.000 0.000 0.158 79 G C 0.037 174.953 174.900 0.026 0.000 1.334 79 G CA 0.431 45.530 45.100 -0.003 0.000 1.001 79 G HN 0.267 nan 8.290 nan 0.000 0.600 80 S N -1.442 114.262 115.700 0.007 0.000 2.816 80 S HA 0.371 4.842 4.470 0.000 0.000 0.253 80 S C 0.372 174.948 174.600 -0.040 0.000 1.055 80 S CA -0.126 58.072 58.200 -0.004 0.000 1.032 80 S CB 1.024 64.221 63.200 -0.005 0.000 1.270 80 S HN 0.410 nan 8.310 nan 0.000 0.587 81 E N 0.243 120.424 120.200 -0.032 0.000 2.437 81 E HA 0.244 4.594 4.350 0.000 0.000 0.195 81 E C 0.370 176.962 176.600 -0.013 0.000 1.029 81 E CA -0.226 56.148 56.400 -0.044 0.000 0.948 81 E CB -0.086 29.597 29.700 -0.028 0.000 1.082 81 E HN 0.544 nan 8.360 nan 0.000 0.456 82 F N 1.200 121.070 119.950 -0.133 0.000 2.206 82 F HA 0.108 4.635 4.527 0.000 0.000 0.298 82 F C 2.019 177.719 175.800 -0.165 0.000 1.090 82 F CA 1.479 59.414 58.000 -0.108 0.000 1.323 82 F CB -0.644 38.307 39.000 -0.081 0.000 1.028 82 F HN 0.062 nan 8.300 nan 0.000 0.492 83 G N 1.416 109.797 108.800 -0.698 0.000 2.505 83 G HA2 -0.346 3.615 3.960 0.000 0.000 0.220 83 G HA3 -0.346 3.615 3.960 0.000 0.000 0.220 83 G C 1.676 176.289 174.900 -0.479 0.000 1.145 83 G CA 1.221 45.664 45.100 -1.094 0.000 0.761 83 G HN 0.464 nan 8.290 nan 0.000 0.571 84 L N 0.674 121.749 121.223 -0.247 0.000 2.131 84 L HA 0.069 4.409 4.340 0.000 0.000 0.210 84 L C 0.916 177.748 176.870 -0.062 0.000 1.092 84 L CA 1.352 56.151 54.840 -0.068 0.000 0.759 84 L CB -0.167 41.873 42.059 -0.032 0.000 0.903 84 L HN 0.122 nan 8.230 nan 0.000 0.435 85 N N -0.683 117.954 118.700 -0.105 0.000 2.538 85 N HA 0.245 4.986 4.740 0.000 0.000 0.291 85 N C 0.858 176.352 175.510 -0.026 0.000 1.323 85 N CA 0.147 53.193 53.050 -0.006 0.000 0.934 85 N CB 0.599 39.150 38.487 0.107 0.000 1.255 85 N HN 0.400 nan 8.380 nan 0.000 0.509 86 I N -0.374 120.064 120.570 -0.220 0.000 2.947 86 I HA -0.088 4.082 4.170 0.000 0.000 0.263 86 I C 2.211 178.331 176.117 0.004 0.000 1.130 86 I CA 0.485 61.666 61.300 -0.198 0.000 1.448 86 I CB -0.105 37.634 38.000 -0.435 0.000 1.222 86 I HN 0.083 nan 8.210 nan 0.000 0.453 87 S N 0.442 116.139 115.700 -0.005 0.000 2.423 87 S HA -0.129 4.341 4.470 0.000 0.000 0.231 87 S C 1.906 176.521 174.600 0.026 0.000 1.014 87 S CA 0.753 58.964 58.200 0.018 0.000 0.965 87 S CB -0.250 62.954 63.200 0.008 0.000 0.785 87 S HN 0.355 nan 8.310 nan 0.000 0.495 88 Q N 0.754 120.572 119.800 0.029 0.000 2.187 88 Q HA 0.230 4.571 4.340 0.000 0.000 0.199 88 Q C 2.167 178.196 176.000 0.048 0.000 0.957 88 Q CA 1.015 56.838 55.803 0.033 0.000 0.857 88 Q CB -0.219 28.538 28.738 0.030 0.000 0.929 88 Q HN 0.660 nan 8.270 nan 0.000 0.453 89 I N -0.186 120.434 120.570 0.084 0.000 2.499 89 I HA 0.000 4.170 4.170 0.000 0.000 0.243 89 I C 0.949 177.125 176.117 0.097 0.000 1.085 89 I CA 0.141 61.503 61.300 0.103 0.000 1.422 89 I CB 0.199 38.302 38.000 0.172 0.000 1.165 89 I HN -0.038 nan 8.210 nan 0.000 0.440 90 I N 2.098 122.740 120.570 0.120 0.000 2.496 90 I HA -0.027 4.143 4.170 0.000 0.000 0.285 90 I C -0.024 176.134 176.117 0.068 0.000 1.080 90 I CA -0.203 61.158 61.300 0.102 0.000 1.404 90 I CB 0.401 38.480 38.000 0.132 0.000 1.403 90 I HN 0.139 nan 8.210 nan 0.000 0.539 91 D N 8.839 129.272 120.400 0.055 0.000 2.451 91 D HA 0.003 4.643 4.640 0.000 0.000 0.254 91 D C -1.571 174.750 176.300 0.035 0.000 1.204 91 D CA -1.033 52.990 54.000 0.039 0.000 0.896 91 D CB 0.968 41.789 40.800 0.035 0.000 1.136 91 D HN 0.232 nan 8.370 nan 0.000 0.499 92 P HA -0.213 nan 4.420 nan 0.000 0.219 92 P C 0.676 177.985 177.300 0.016 0.000 1.147 92 P CA 1.208 64.318 63.100 0.018 0.000 0.821 92 P CB 0.222 31.928 31.700 0.009 0.000 0.771 93 E N -1.728 118.482 120.200 0.017 0.000 2.075 93 E HA -0.063 4.287 4.350 0.000 0.000 0.190 93 E C 1.792 178.404 176.600 0.021 0.000 0.969 93 E CA 1.146 57.555 56.400 0.015 0.000 0.815 93 E CB -0.295 29.413 29.700 0.013 0.000 0.776 93 E HN 0.187 nan 8.360 nan 0.000 0.457 94 T N 1.977 116.548 114.554 0.029 0.000 2.759 94 T HA -0.182 4.168 4.350 0.000 0.000 0.269 94 T C 1.813 176.538 174.700 0.042 0.000 1.042 94 T CA 0.794 62.916 62.100 0.036 0.000 1.140 94 T CB -0.208 68.686 68.868 0.044 0.000 0.864 94 T HN 0.020 nan 8.240 nan 0.000 0.455 95 L N 1.474 122.723 121.223 0.044 0.000 2.083 95 L HA -0.077 4.264 4.340 0.000 0.000 0.209 95 L C 1.962 178.851 176.870 0.032 0.000 1.083 95 L CA 1.748 56.617 54.840 0.048 0.000 0.752 95 L CB -0.642 41.445 42.059 0.046 0.000 0.899 95 L HN 0.118 nan 8.230 nan 0.000 0.433 96 D N -0.612 119.800 120.400 0.020 0.000 2.144 96 D HA -0.166 4.475 4.640 0.000 0.000 0.200 96 D C 2.129 178.437 176.300 0.013 0.000 0.978 96 D CA 1.024 55.030 54.000 0.011 0.000 0.833 96 D CB 0.082 40.884 40.800 0.004 0.000 0.961 96 D HN 0.384 nan 8.370 nan 0.000 0.470 97 K N 0.382 120.793 120.400 0.019 0.000 2.057 97 K HA -0.061 4.259 4.320 0.000 0.000 0.207 97 K C 2.333 178.947 176.600 0.023 0.000 1.049 97 K CA 0.657 56.956 56.287 0.019 0.000 0.931 97 K CB -0.004 32.510 32.500 0.023 0.000 0.714 97 K HN 0.161 nan 8.250 nan 0.000 0.440 98 I N 1.250 121.840 120.570 0.033 0.000 2.179 98 I HA -0.282 3.888 4.170 0.000 0.000 0.242 98 I C 2.056 178.189 176.117 0.026 0.000 1.088 98 I CA 1.294 62.618 61.300 0.040 0.000 1.357 98 I CB -0.285 37.751 38.000 0.060 0.000 1.051 98 I HN 0.111 nan 8.210 nan 0.000 0.409 99 L N 0.459 121.694 121.223 0.020 0.000 2.456 99 L HA -0.114 4.226 4.340 0.000 0.000 0.224 99 L C 2.480 179.345 176.870 -0.008 0.000 1.148 99 L CA 1.022 55.864 54.840 0.004 0.000 0.825 99 L CB -0.559 41.500 42.059 0.000 0.000 0.937 99 L HN 0.347 nan 8.230 nan 0.000 0.450 100 S N -1.376 114.323 115.700 -0.002 0.000 2.562 100 S HA 0.018 4.488 4.470 0.000 0.000 0.221 100 S C 0.844 175.439 174.600 -0.009 0.000 0.975 100 S CA -0.278 57.918 58.200 -0.007 0.000 0.918 100 S CB -0.129 63.070 63.200 -0.002 0.000 0.772 100 S HN 0.268 nan 8.310 nan 0.000 0.531 101 K N 2.246 122.642 120.400 -0.006 0.000 2.355 101 K HA 0.212 4.532 4.320 0.000 0.000 0.270 101 K C 0.132 176.715 176.600 -0.027 0.000 1.003 101 K CA -0.051 56.231 56.287 -0.009 0.000 0.957 101 K CB 0.601 33.101 32.500 0.000 0.000 0.939 101 K HN 0.223 nan 8.250 nan 0.000 0.482 102 S N 1.746 117.428 115.700 -0.029 0.000 2.505 102 S HA 0.040 4.510 4.470 0.000 0.000 0.276 102 S C 1.183 175.739 174.600 -0.072 0.000 1.274 102 S CA -0.382 57.791 58.200 -0.044 0.000 1.053 102 S CB 0.762 63.942 63.200 -0.034 0.000 0.919 102 S HN 0.681 nan 8.310 nan 0.000 0.490 103 R N 3.540 123.982 120.500 -0.097 0.000 2.073 103 R HA -0.070 4.270 4.340 0.000 0.000 0.234 103 R C 1.836 178.037 176.300 -0.165 0.000 1.134 103 R CA 1.920 57.928 56.100 -0.154 0.000 0.952 103 R CB -0.285 29.920 30.300 -0.158 0.000 0.850 103 R HN 0.831 nan 8.270 nan 0.000 0.433 104 E N -0.108 120.020 120.200 -0.120 0.000 2.153 104 E HA -0.246 4.105 4.350 0.000 0.000 0.194 104 E C 2.125 178.667 176.600 -0.096 0.000 0.988 104 E CA 1.016 57.350 56.400 -0.110 0.000 0.811 104 E CB -0.093 29.564 29.700 -0.072 0.000 0.746 104 E HN 0.319 nan 8.360 nan 0.000 0.466 105 R N 0.700 121.158 120.500 -0.070 0.000 2.073 105 R HA -0.131 4.209 4.340 0.000 0.000 0.229 105 R C 2.439 178.718 176.300 -0.035 0.000 1.120 105 R CA 0.771 56.848 56.100 -0.040 0.000 0.967 105 R CB -0.157 30.130 30.300 -0.022 0.000 0.862 105 R HN 0.108 nan 8.270 nan 0.000 0.436 106 L N 1.089 122.278 121.223 -0.058 0.000 2.056 106 L HA -0.086 4.254 4.340 0.000 0.000 0.207 106 L C 1.943 178.794 176.870 -0.032 0.000 1.078 106 L CA 1.615 56.445 54.840 -0.017 0.000 0.749 106 L CB -0.340 41.689 42.059 -0.051 0.000 0.901 106 L HN 0.238 nan 8.230 nan 0.000 0.433 107 I N -0.303 120.138 120.570 -0.215 0.000 2.127 107 I HA -0.314 3.856 4.170 0.000 0.000 0.241 107 I C 2.115 178.013 176.117 -0.365 0.000 1.075 107 I CA 1.582 62.635 61.300 -0.413 0.000 1.334 107 I CB -0.593 37.108 38.000 -0.499 0.000 1.040 107 I HN 0.274 nan 8.210 nan 0.000 0.405 108 D N 0.792 121.094 120.400 -0.165 0.000 2.104 108 D HA -0.195 4.445 4.640 0.000 0.000 0.194 108 D C 2.147 178.484 176.300 0.061 0.000 0.994 108 D CA 1.363 55.346 54.000 -0.029 0.000 0.830 108 D CB -0.274 40.524 40.800 -0.004 0.000 0.959 108 D HN 0.389 nan 8.370 nan 0.000 0.452 109 E N -0.382 119.858 120.200 0.067 0.000 2.150 109 E HA -0.100 4.250 4.350 0.000 0.000 0.193 109 E C 1.954 178.670 176.600 0.193 0.000 0.985 109 E CA 1.209 57.680 56.400 0.119 0.000 0.814 109 E CB 0.025 29.787 29.700 0.104 0.000 0.752 109 E HN 0.229 nan 8.360 nan 0.000 0.466 110 T N 0.713 115.404 114.554 0.229 0.000 2.812 110 T HA -0.073 4.277 4.350 0.000 0.000 0.264 110 T C 1.413 176.369 174.700 0.426 0.000 1.042 110 T CA 0.646 62.966 62.100 0.367 0.000 1.140 110 T CB -0.178 68.960 68.868 0.449 0.000 0.870 110 T HN 0.068 nan 8.240 nan 0.000 0.445 111 F N 2.160 122.198 119.950 0.146 0.000 2.171 111 F HA 0.003 4.530 4.527 0.000 0.000 0.300 111 F C 2.770 178.645 175.800 0.125 0.000 1.090 111 F CA 0.162 58.234 58.000 0.119 0.000 1.293 111 F CB -1.327 37.776 39.000 0.172 0.000 1.013 111 F HN 0.111 nan 8.300 nan 0.000 0.486 112 S N -0.537 115.346 115.700 0.305 0.000 2.402 112 S HA -0.159 4.311 4.470 0.000 0.000 0.229 112 S C 2.124 176.824 174.600 0.167 0.000 1.021 112 S CA 0.804 59.123 58.200 0.198 0.000 0.974 112 S CB -0.214 63.075 63.200 0.148 0.000 0.800 112 S HN 0.300 nan 8.310 nan 0.000 0.484 113 R N 0.631 121.257 120.500 0.209 0.000 2.075 113 R HA 0.004 4.344 4.340 0.000 0.000 0.232 113 R C 2.236 178.646 176.300 0.184 0.000 1.126 113 R CA 0.915 57.160 56.100 0.241 0.000 0.963 113 R CB -0.357 30.162 30.300 0.364 0.000 0.858 113 R HN 0.312 nan 8.270 nan 0.000 0.435 114 L N 1.308 122.487 121.223 -0.073 0.000 2.083 114 L HA -0.148 4.193 4.340 0.000 0.000 0.209 114 L C 1.173 177.919 176.870 -0.206 0.000 1.083 114 L CA 1.898 56.431 54.840 -0.511 0.000 0.752 114 L CB -0.545 40.814 42.059 -1.167 0.000 0.899 114 L HN 0.149 nan 8.230 nan 0.000 0.433 115 D N -0.182 120.204 120.400 -0.023 0.000 2.133 115 D HA -0.207 4.433 4.640 0.000 0.000 0.195 115 D C 2.277 178.595 176.300 0.030 0.000 0.997 115 D CA 1.411 55.445 54.000 0.058 0.000 0.840 115 D CB -0.106 40.755 40.800 0.101 0.000 0.947 115 D HN 0.420 nan 8.370 nan 0.000 0.452 116 R N 0.235 120.763 120.500 0.047 0.000 2.115 116 R HA -0.038 4.302 4.340 0.000 0.000 0.230 116 R C 2.385 178.709 176.300 0.039 0.000 1.111 116 R CA 0.498 56.627 56.100 0.048 0.000 0.976 116 R CB -0.260 30.082 30.300 0.069 0.000 0.870 116 R HN 0.114 nan 8.270 nan 0.000 0.445 117 V N 1.284 121.224 119.914 0.042 0.000 2.427 117 V HA -0.196 3.924 4.120 0.000 0.000 0.248 117 V C 2.223 178.316 176.094 -0.002 0.000 1.051 117 V CA 1.532 63.857 62.300 0.042 0.000 1.048 117 V CB -0.301 31.577 31.823 0.092 0.000 0.666 117 V HN 0.244 nan 8.190 nan 0.000 0.456 118 I N 0.115 120.665 120.570 -0.034 0.000 2.202 118 I HA -0.203 3.968 4.170 0.000 0.000 0.242 118 I C 2.281 178.384 176.117 -0.023 0.000 1.091 118 I CA 1.549 62.826 61.300 -0.039 0.000 1.368 118 I CB -0.473 37.501 38.000 -0.043 0.000 1.058 118 I HN 0.296 nan 8.210 nan 0.000 0.410 119 D N 0.541 120.936 120.400 -0.008 0.000 2.149 119 D HA -0.250 4.390 4.640 0.000 0.000 0.198 119 D C 1.984 178.277 176.300 -0.011 0.000 0.990 119 D CA 1.239 55.235 54.000 -0.007 0.000 0.839 119 D CB -0.250 40.553 40.800 0.005 0.000 0.948 119 D HN 0.449 nan 8.370 nan 0.000 0.460 120 E N 0.297 120.495 120.200 -0.003 0.000 2.152 120 E HA -0.096 4.255 4.350 0.000 0.000 0.192 120 E C 1.934 178.523 176.600 -0.018 0.000 0.983 120 E CA 0.838 57.237 56.400 -0.002 0.000 0.818 120 E CB 0.059 29.767 29.700 0.012 0.000 0.758 120 E HN 0.172 nan 8.360 nan 0.000 0.467 121 A N 1.120 123.922 122.820 -0.030 0.000 1.898 121 A HA -0.109 4.211 4.320 0.000 0.000 0.216 121 A C 2.179 179.697 177.584 -0.112 0.000 1.181 121 A CA 0.956 52.952 52.037 -0.069 0.000 0.620 121 A CB -0.583 18.378 19.000 -0.065 0.000 0.819 121 A HN 0.299 nan 8.150 nan 0.000 0.442 122 L N -0.740 120.434 121.223 -0.081 0.000 2.017 122 L HA -0.196 4.144 4.340 0.000 0.000 0.208 122 L C 3.101 179.930 176.870 -0.068 0.000 1.073 122 L CA 1.142 55.933 54.840 -0.082 0.000 0.745 122 L CB -0.569 41.458 42.059 -0.053 0.000 0.894 122 L HN 0.432 nan 8.230 nan 0.000 0.432 123 A N -0.313 122.481 122.820 -0.043 0.000 1.933 123 A HA -0.254 4.066 4.320 0.000 0.000 0.218 123 A C 2.284 179.853 177.584 -0.024 0.000 1.175 123 A CA 1.846 53.867 52.037 -0.026 0.000 0.628 123 A CB -0.494 18.498 19.000 -0.012 0.000 0.814 123 A HN 0.506 nan 8.150 nan 0.000 0.444 124 E N 0.229 120.410 120.200 -0.033 0.000 2.152 124 E HA -0.140 4.210 4.350 0.000 0.000 0.192 124 E C 1.931 178.519 176.600 -0.019 0.000 0.983 124 E CA 1.480 57.873 56.400 -0.011 0.000 0.818 124 E CB -0.048 29.654 29.700 0.002 0.000 0.758 124 E HN 0.717 nan 8.360 nan 0.000 0.467 125 S N -1.666 113.957 115.700 -0.128 0.000 2.503 125 S HA 0.255 4.725 4.470 0.000 0.000 0.215 125 S C 1.616 176.179 174.600 -0.062 0.000 1.003 125 S CA 0.468 58.559 58.200 -0.181 0.000 0.910 125 S CB 0.743 63.572 63.200 -0.618 0.000 0.790 125 S HN 0.466 nan 8.310 nan 0.000 0.514 126 G N 1.281 110.047 108.800 -0.057 0.000 2.179 126 G HA2 -0.150 3.810 3.960 0.000 0.000 0.260 126 G HA3 -0.150 3.810 3.960 0.000 0.000 0.260 126 G C 0.373 175.249 174.900 -0.041 0.000 0.977 126 G CA 0.089 45.172 45.100 -0.030 0.000 0.641 126 G HN 1.254 nan 8.290 nan 0.000 0.533 127 A N -0.175 122.601 122.820 -0.072 0.000 2.386 127 A HA 0.562 4.882 4.320 0.000 0.000 0.246 127 A C 1.092 178.645 177.584 -0.051 0.000 1.089 127 A CA 0.886 52.886 52.037 -0.062 0.000 0.790 127 A CB 0.347 19.294 19.000 -0.088 0.000 1.042 127 A HN 0.135 nan 8.150 nan 0.000 0.497 128 D N -0.354 120.022 120.400 -0.040 0.000 2.392 128 D HA 0.170 4.810 4.640 0.000 0.000 0.206 128 D C 0.071 176.348 176.300 -0.038 0.000 1.046 128 D CA 1.062 55.040 54.000 -0.037 0.000 0.865 128 D CB 0.345 41.126 40.800 -0.033 0.000 0.969 128 D HN 0.534 nan 8.370 nan 0.000 0.509 129 K N -0.163 120.214 120.400 -0.038 0.000 2.533 129 K HA 0.522 4.842 4.320 0.000 0.000 0.272 129 K C -0.866 175.718 176.600 -0.027 0.000 0.985 129 K CA -0.908 55.358 56.287 -0.034 0.000 0.876 129 K CB 3.337 35.813 32.500 -0.039 0.000 1.452 129 K HN -0.194 nan 8.250 nan 0.000 0.439 130 V N -2.437 117.466 119.914 -0.018 0.000 3.113 130 V HA 0.590 4.711 4.120 0.000 0.000 0.316 130 V C -1.040 175.072 176.094 0.029 0.000 1.125 130 V CA -0.852 61.444 62.300 -0.007 0.000 1.026 130 V CB 2.007 33.813 31.823 -0.028 0.000 1.080 130 V HN 0.599 nan 8.190 nan 0.000 0.444 131 D N 1.833 122.262 120.400 0.048 0.000 2.168 131 D HA 0.638 5.278 4.640 0.000 0.000 0.246 131 D C -0.715 175.603 176.300 0.030 0.000 1.050 131 D CA 0.042 54.096 54.000 0.089 0.000 0.857 131 D CB 2.148 43.016 40.800 0.114 0.000 1.169 131 D HN 0.539 nan 8.370 nan 0.000 0.453 132 L N 1.460 122.702 121.223 0.033 0.000 2.329 132 L HA 0.559 4.900 4.340 0.000 0.000 0.279 132 L C -0.510 176.351 176.870 -0.016 0.000 1.014 132 L CA -1.024 53.797 54.840 -0.032 0.000 0.814 132 L CB 2.045 44.072 42.059 -0.054 0.000 1.257 132 L HN -0.032 nan 8.230 nan 0.000 0.424 133 V N 1.464 121.340 119.914 -0.063 0.000 2.531 133 V HA 0.751 4.871 4.120 0.000 0.000 0.301 133 V C 0.214 176.258 176.094 -0.084 0.000 1.034 133 V CA -0.489 61.805 62.300 -0.010 0.000 0.865 133 V CB 1.777 33.634 31.823 0.057 0.000 0.995 133 V HN 0.883 nan 8.190 nan 0.000 0.424 134 G N 1.562 110.330 108.800 -0.054 0.000 2.481 134 G HA2 0.623 4.583 3.960 0.000 0.000 0.315 134 G HA3 0.623 4.583 3.960 0.000 0.000 0.315 134 G C -1.485 173.451 174.900 0.060 0.000 1.231 134 G CA -0.460 44.561 45.100 -0.132 0.000 0.968 134 G HN 0.801 nan 8.290 nan 0.000 0.482 135 H N 1.221 120.247 119.070 -0.074 0.000 2.547 135 H HA 0.522 5.079 4.556 0.000 0.000 0.342 135 H C 0.712 176.095 175.328 0.091 0.000 1.048 135 H CA 0.235 56.322 56.048 0.066 0.000 1.204 135 H CB 1.669 31.547 29.762 0.194 0.000 1.493 135 H HN 1.178 nan 8.280 nan 0.000 0.511 136 A N 4.414 127.136 122.820 -0.162 0.000 5.295 136 A HA -0.397 3.923 4.320 0.000 0.000 0.313 136 A C 1.734 179.473 177.584 0.258 0.000 1.912 136 A CA 1.800 53.851 52.037 0.023 0.000 0.714 136 A CB -1.738 17.174 19.000 -0.147 0.000 1.319 136 A HN 0.830 nan 8.150 nan 0.000 0.375 137 M N 0.064 119.826 119.600 0.271 0.000 2.267 137 M HA -0.061 4.419 4.480 0.000 0.000 0.263 137 M C 1.853 178.368 176.300 0.358 0.000 1.063 137 M CA 2.642 58.169 55.300 0.378 0.000 1.090 137 M CB -0.587 32.177 32.600 0.274 0.000 1.392 137 M HN 1.012 nan 8.290 nan 0.000 0.422 138 G N -0.738 108.155 108.800 0.155 0.000 2.470 138 G HA2 -0.241 3.720 3.960 0.000 0.000 0.220 138 G HA3 -0.241 3.720 3.960 0.000 0.000 0.220 138 G C 1.411 176.347 174.900 0.060 0.000 1.121 138 G CA 1.373 46.467 45.100 -0.010 0.000 0.766 138 G HN 0.621 nan 8.290 nan 0.000 0.553 139 T N -1.499 113.122 114.554 0.113 0.000 2.857 139 T HA -0.018 4.332 4.350 0.000 0.000 0.266 139 T C 2.074 176.808 174.700 0.058 0.000 1.048 139 T CA 0.831 62.950 62.100 0.031 0.000 1.139 139 T CB -0.456 68.379 68.868 -0.055 0.000 0.874 139 T HN 0.160 nan 8.240 nan 0.000 0.455 140 F N 0.644 120.677 119.950 0.138 0.000 2.134 140 F HA 0.113 4.640 4.527 0.000 0.000 0.299 140 F C 2.138 178.071 175.800 0.223 0.000 1.097 140 F CA 1.085 59.187 58.000 0.170 0.000 1.264 140 F CB -0.722 38.402 39.000 0.206 0.000 1.001 140 F HN 0.122 nan 8.300 nan 0.000 0.479 141 F N 0.590 120.703 119.950 0.271 0.000 2.069 141 F HA -0.242 4.285 4.527 0.000 0.000 0.298 141 F C 2.075 177.891 175.800 0.027 0.000 1.113 141 F CA 1.659 59.722 58.000 0.105 0.000 1.214 141 F CB -0.383 38.406 39.000 -0.352 0.000 0.978 141 F HN -0.164 nan 8.300 nan 0.000 0.474 142 L N -0.711 120.670 121.223 0.263 0.000 2.141 142 L HA -0.180 4.160 4.340 0.000 0.000 0.209 142 L C 2.270 179.170 176.870 0.049 0.000 1.094 142 L CA 0.551 55.455 54.840 0.107 0.000 0.763 142 L CB -0.588 41.479 42.059 0.013 0.000 0.908 142 L HN 0.051 nan 8.230 nan 0.000 0.437 143 V N -0.166 119.777 119.914 0.049 0.000 2.358 143 V HA -0.274 3.847 4.120 0.000 0.000 0.246 143 V C 2.653 178.763 176.094 0.027 0.000 1.047 143 V CA 1.725 64.037 62.300 0.019 0.000 1.035 143 V CB -0.592 31.229 31.823 -0.003 0.000 0.658 143 V HN 0.445 nan 8.190 nan 0.000 0.452 144 R N -1.134 119.417 120.500 0.086 0.000 2.075 144 R HA -0.204 4.136 4.340 0.000 0.000 0.232 144 R C 2.386 178.680 176.300 -0.009 0.000 1.126 144 R CA 1.903 58.078 56.100 0.125 0.000 0.963 144 R CB -0.422 30.052 30.300 0.289 0.000 0.858 144 R HN 0.596 nan 8.270 nan 0.000 0.435 145 Y N 0.732 120.776 120.300 -0.428 0.000 2.114 145 Y HA -0.215 4.335 4.550 0.000 0.000 0.284 145 Y C 1.959 177.574 175.900 -0.475 0.000 1.143 145 Y CA 1.812 59.320 58.100 -0.987 0.000 1.135 145 Y CB -0.320 37.468 38.460 -1.120 0.000 0.980 145 Y HN -0.155 nan 8.280 nan 0.000 0.499 146 V N 0.957 120.707 119.914 -0.273 0.000 2.626 146 V HA -0.258 3.862 4.120 0.000 0.000 0.252 146 V C 1.716 177.676 176.094 -0.224 0.000 1.067 146 V CA 1.957 64.103 62.300 -0.257 0.000 1.081 146 V CB -0.668 31.108 31.823 -0.078 0.000 0.686 146 V HN 0.451 nan 8.190 nan 0.000 0.468 147 N N 0.431 119.038 118.700 -0.155 0.000 2.463 147 N HA -0.068 4.673 4.740 0.000 0.000 0.181 147 N C 2.073 177.521 175.510 -0.104 0.000 1.078 147 N CA 1.256 54.249 53.050 -0.095 0.000 0.902 147 N CB -0.058 38.408 38.487 -0.034 0.000 0.970 147 N HN 0.642 nan 8.380 nan 0.000 0.451 148 S N -0.722 114.881 115.700 -0.162 0.000 2.423 148 S HA 0.001 4.471 4.470 0.000 0.000 0.231 148 S C 0.795 175.326 174.600 -0.115 0.000 1.014 148 S CA 0.424 58.564 58.200 -0.100 0.000 0.965 148 S CB -0.075 63.098 63.200 -0.044 0.000 0.785 148 S HN 0.253 nan 8.310 nan 0.000 0.495 149 S N -0.710 114.885 115.700 -0.177 0.000 2.558 149 S HA 0.527 4.997 4.470 0.000 0.000 0.277 149 S C -3.053 171.462 174.600 -0.141 0.000 1.143 149 S CA -1.025 57.095 58.200 -0.134 0.000 0.865 149 S CB 1.214 64.339 63.200 -0.124 0.000 1.102 149 S HN -0.049 nan 8.310 nan 0.000 0.454 150 P HA 0.005 nan 4.420 nan 0.000 0.217 150 P C 1.024 178.268 177.300 -0.092 0.000 1.150 150 P CA 1.245 64.294 63.100 -0.085 0.000 0.832 150 P CB 0.064 31.728 31.700 -0.060 0.000 0.787 151 E N -0.556 119.590 120.200 -0.091 0.000 2.085 151 E HA -0.169 4.181 4.350 0.000 0.000 0.194 151 E C 2.115 178.650 176.600 -0.109 0.000 0.994 151 E CA 1.233 57.583 56.400 -0.083 0.000 0.801 151 E CB -0.436 29.222 29.700 -0.069 0.000 0.743 151 E HN 0.179 nan 8.360 nan 0.000 0.453 152 R N -0.132 120.262 120.500 -0.177 0.000 2.075 152 R HA 0.031 4.372 4.340 0.000 0.000 0.232 152 R C 2.284 178.471 176.300 -0.188 0.000 1.126 152 R CA 1.138 57.090 56.100 -0.247 0.000 0.963 152 R CB -0.281 29.676 30.300 -0.571 0.000 0.858 152 R HN 0.155 nan 8.270 nan 0.000 0.435 153 A N 1.068 123.780 122.820 -0.180 0.000 2.015 153 A HA -0.036 4.285 4.320 0.000 0.000 0.219 153 A C 2.230 179.765 177.584 -0.083 0.000 1.163 153 A CA 1.416 53.380 52.037 -0.121 0.000 0.646 153 A CB -0.453 18.481 19.000 -0.111 0.000 0.806 153 A HN 0.380 nan 8.150 nan 0.000 0.448 154 A N -0.441 122.332 122.820 -0.078 0.000 2.178 154 A HA -0.069 4.252 4.320 0.000 0.000 0.218 154 A C 1.794 179.346 177.584 -0.054 0.000 1.157 154 A CA 1.429 53.429 52.037 -0.062 0.000 0.689 154 A CB -0.302 18.664 19.000 -0.056 0.000 0.787 154 A HN 0.523 nan 8.150 nan 0.000 0.465 155 K N -0.526 119.844 120.400 -0.050 0.000 2.372 155 K HA 0.259 4.579 4.320 0.000 0.000 0.200 155 K C -0.755 175.827 176.600 -0.031 0.000 1.022 155 K CA -0.063 56.202 56.287 -0.037 0.000 1.125 155 K CB 0.796 33.281 32.500 -0.025 0.000 0.855 155 K HN 0.233 nan 8.250 nan 0.000 0.524 156 V N 1.055 120.946 119.914 -0.037 0.000 2.384 156 V HA 0.240 4.360 4.120 0.000 0.000 0.287 156 V C 0.694 176.747 176.094 -0.068 0.000 1.020 156 V CA -0.347 61.934 62.300 -0.031 0.000 0.850 156 V CB 1.303 33.117 31.823 -0.015 0.000 0.987 156 V HN 0.174 nan 8.190 nan 0.000 0.436 157 A N 3.685 126.460 122.820 -0.075 0.000 1.943 157 A HA 0.222 4.542 4.320 0.000 0.000 0.213 157 A C 0.632 177.928 177.584 -0.479 0.000 1.181 157 A CA 0.978 52.883 52.037 -0.219 0.000 0.653 157 A CB -0.031 18.905 19.000 -0.106 0.000 0.833 157 A HN 0.875 nan 8.150 nan 0.000 0.451 158 H N -2.957 116.125 119.070 0.020 0.000 3.046 158 H HA 0.602 5.159 4.556 0.000 0.000 0.363 158 H C -1.541 173.854 175.328 0.112 0.000 1.203 158 H CA -0.608 55.495 56.048 0.091 0.000 1.169 158 H CB 1.796 31.626 29.762 0.114 0.000 1.851 158 H HN 0.224 nan 8.280 nan 0.000 0.546 159 L N 3.056 124.440 121.223 0.268 0.000 2.356 159 L HA 0.591 4.931 4.340 0.000 0.000 0.277 159 L C -1.547 175.383 176.870 0.101 0.000 0.996 159 L CA -0.319 54.602 54.840 0.135 0.000 0.822 159 L CB 0.910 43.009 42.059 0.068 0.000 1.256 159 L HN 0.632 nan 8.230 nan 0.000 0.413 160 I N 6.353 126.949 120.570 0.044 0.000 2.406 160 I HA 0.364 4.535 4.170 0.000 0.000 0.290 160 I C -0.930 175.149 176.117 -0.062 0.000 0.999 160 I CA -0.612 60.662 61.300 -0.044 0.000 1.124 160 I CB 1.716 39.722 38.000 0.011 0.000 1.289 160 I HN 0.469 nan 8.210 nan 0.000 0.441 161 L N 7.419 128.561 121.223 -0.135 0.000 2.295 161 L HA 0.490 4.831 4.340 0.000 0.000 0.281 161 L C -0.591 176.163 176.870 -0.194 0.000 1.018 161 L CA -0.483 54.276 54.840 -0.135 0.000 0.841 161 L CB 1.090 43.057 42.059 -0.154 0.000 1.218 161 L HN 0.409 nan 8.230 nan 0.000 0.424 162 L N 3.358 124.546 121.223 -0.059 0.000 2.255 162 L HA 0.261 4.601 4.340 0.000 0.000 0.289 162 L C 0.130 177.040 176.870 0.067 0.000 1.046 162 L CA -0.453 54.380 54.840 -0.011 0.000 0.816 162 L CB 0.713 42.862 42.059 0.150 0.000 1.197 162 L HN 0.600 nan 8.230 nan 0.000 0.427 163 D N 2.796 123.164 120.400 -0.055 0.000 2.740 163 D HA -0.164 4.476 4.640 0.000 0.000 0.231 163 D C 0.462 176.967 176.300 0.342 0.000 1.194 163 D CA 1.251 55.371 54.000 0.199 0.000 0.673 163 D CB -0.198 40.819 40.800 0.362 0.000 0.995 163 D HN 0.865 nan 8.370 nan 0.000 0.411 164 G N -1.361 107.611 108.800 0.287 0.000 3.259 164 G HA2 0.401 4.361 3.960 0.000 0.000 0.193 164 G HA3 0.401 4.361 3.960 0.000 0.000 0.193 164 G C -0.154 174.975 174.900 0.382 0.000 1.457 164 G CA 0.066 45.368 45.100 0.336 0.000 0.771 164 G HN 0.462 nan 8.290 nan 0.000 0.765 165 V N 1.211 121.073 119.914 -0.087 0.000 2.872 165 V HA 0.538 4.658 4.120 0.000 0.000 0.307 165 V C -0.433 175.763 176.094 0.170 0.000 1.072 165 V CA 0.469 62.543 62.300 -0.377 0.000 1.148 165 V CB 0.489 31.650 31.823 -1.103 0.000 0.954 165 V HN 0.804 nan 8.190 nan 0.000 0.490 166 W N 3.732 125.012 121.300 -0.033 0.000 3.025 166 W HA 0.728 5.388 4.660 0.000 0.000 0.343 166 W C 0.312 176.759 176.519 -0.120 0.000 1.246 166 W CA -0.637 56.676 57.345 -0.053 0.000 1.178 166 W CB 0.624 29.988 29.460 -0.160 0.000 1.463 166 W HN 1.339 nan 8.180 nan 0.000 0.578 167 G N 0.226 109.050 108.800 0.040 0.000 2.147 167 G HA2 0.122 4.082 3.960 0.000 0.000 0.244 167 G HA3 0.122 4.082 3.960 0.000 0.000 0.244 167 G C -0.434 174.440 174.900 -0.042 0.000 1.005 167 G CA 0.515 45.581 45.100 -0.056 0.000 0.713 167 G HN 1.887 nan 8.290 nan 0.000 0.515 168 V N -3.916 115.918 119.914 -0.133 0.000 3.102 168 V HA 0.864 4.984 4.120 0.000 0.000 0.312 168 V C -0.457 175.702 176.094 0.109 0.000 1.135 168 V CA -1.472 60.863 62.300 0.058 0.000 1.022 168 V CB 2.094 33.915 31.823 -0.003 0.000 1.056 168 V HN -0.010 nan 8.190 nan 0.000 0.436 169 D N 2.038 122.568 120.400 0.218 0.000 2.345 169 D HA 0.612 5.252 4.640 0.000 0.000 0.247 169 D C 0.494 176.850 176.300 0.094 0.000 1.108 169 D CA 0.608 54.732 54.000 0.206 0.000 0.894 169 D CB 1.648 42.542 40.800 0.157 0.000 1.203 169 D HN 1.127 nan 8.370 nan 0.000 0.430 170 A N 3.201 126.072 122.820 0.084 0.000 2.445 170 A HA 0.395 4.715 4.320 0.000 0.000 0.242 170 A C -2.091 175.517 177.584 0.040 0.000 1.075 170 A CA -0.939 51.126 52.037 0.046 0.000 0.777 170 A CB -0.292 18.739 19.000 0.052 0.000 1.013 170 A HN 0.354 nan 8.150 nan 0.000 0.493 171 P HA 0.127 nan 4.420 nan 0.000 0.266 171 P C -0.259 177.046 177.300 0.009 0.000 1.195 171 P CA 0.033 63.137 63.100 0.007 0.000 0.768 171 P CB 0.383 32.076 31.700 -0.011 0.000 0.838 172 E N 2.232 122.433 120.200 0.002 0.000 2.585 172 E HA 0.201 4.551 4.350 0.000 0.000 0.252 172 E C 1.392 177.986 176.600 -0.010 0.000 0.981 172 E CA 1.663 58.063 56.400 -0.000 0.000 0.943 172 E CB -0.924 28.772 29.700 -0.007 0.000 0.923 172 E HN 0.690 nan 8.360 nan 0.000 0.486 173 G N 4.306 113.104 108.800 -0.004 0.000 2.168 173 G HA2 -0.221 3.739 3.960 0.000 0.000 0.263 173 G HA3 -0.221 3.739 3.960 0.000 0.000 0.263 173 G C 0.065 174.951 174.900 -0.024 0.000 0.977 173 G CA 0.253 45.344 45.100 -0.015 0.000 0.659 173 G HN 0.437 nan 8.290 nan 0.000 0.533 174 I N 1.020 121.583 120.570 -0.012 0.000 2.362 174 I HA 0.345 4.515 4.170 0.000 0.000 0.289 174 I C -2.214 173.920 176.117 0.028 0.000 0.994 174 I CA -3.282 58.008 61.300 -0.017 0.000 1.158 174 I CB 1.244 39.237 38.000 -0.012 0.000 1.315 174 I HN -0.205 nan 8.210 nan 0.000 0.451 175 P HA 0.135 nan 4.420 nan 0.000 0.263 175 P C -0.521 176.968 177.300 0.315 0.000 1.195 175 P CA 0.495 63.687 63.100 0.153 0.000 0.762 175 P CB 0.451 32.176 31.700 0.042 0.000 0.799 176 T N 3.745 118.483 114.554 0.306 0.000 2.876 176 T HA 0.576 4.926 4.350 0.000 0.000 0.289 176 T C -0.920 173.734 174.700 -0.077 0.000 1.014 176 T CA -0.445 61.748 62.100 0.156 0.000 0.986 176 T CB 1.051 69.952 68.868 0.055 0.000 1.021 176 T HN 0.132 nan 8.240 nan 0.000 0.458 177 L N 2.705 123.688 121.223 -0.400 0.000 2.381 177 L HA 0.889 5.229 4.340 0.000 0.000 0.274 177 L C -0.957 175.656 176.870 -0.428 0.000 0.988 177 L CA -0.577 53.839 54.840 -0.706 0.000 0.824 177 L CB 1.188 42.408 42.059 -1.398 0.000 1.263 177 L HN 0.777 nan 8.230 nan 0.000 0.410 178 A N 4.878 127.466 122.820 -0.387 0.000 2.331 178 A HA 0.818 5.138 4.320 0.000 0.000 0.320 178 A C -1.384 175.829 177.584 -0.619 0.000 1.138 178 A CA -0.537 51.226 52.037 -0.458 0.000 0.790 178 A CB 1.500 20.318 19.000 -0.302 0.000 1.206 178 A HN 0.548 nan 8.150 nan 0.000 0.470 179 V N 2.889 122.368 119.914 -0.724 0.000 2.444 179 V HA 0.535 4.656 4.120 0.000 0.000 0.294 179 V C -1.105 174.592 176.094 -0.661 0.000 1.022 179 V CA -0.255 61.677 62.300 -0.612 0.000 0.850 179 V CB 0.811 32.429 31.823 -0.342 0.000 0.992 179 V HN 0.731 nan 8.190 nan 0.000 0.426 180 F N 2.088 121.919 119.950 -0.198 0.000 2.492 180 F HA 0.852 5.379 4.527 0.000 0.000 0.327 180 F C 0.919 176.794 175.800 0.125 0.000 1.079 180 F CA -0.386 57.623 58.000 0.014 0.000 0.967 180 F CB 2.031 41.063 39.000 0.054 0.000 1.169 180 F HN 0.597 nan 8.300 nan 0.000 0.472 181 G N 0.256 109.281 108.800 0.376 0.000 2.795 181 G HA2 0.147 4.107 3.960 0.000 0.000 0.267 181 G HA3 0.147 4.107 3.960 0.000 0.000 0.267 181 G C -0.854 174.201 174.900 0.257 0.000 1.362 181 G CA -0.885 44.406 45.100 0.319 0.000 1.048 181 G HN 0.570 nan 8.290 nan 0.000 0.547 182 N N 1.270 120.092 118.700 0.204 0.000 2.440 182 N HA 0.044 4.784 4.740 0.000 0.000 0.265 182 N C -0.997 174.582 175.510 0.115 0.000 1.239 182 N CA -1.133 51.999 53.050 0.136 0.000 0.909 182 N CB 1.721 40.272 38.487 0.107 0.000 1.066 182 N HN 0.063 nan 8.380 nan 0.000 0.474 183 P HA -0.167 nan 4.420 nan 0.000 0.215 183 P C 0.879 178.202 177.300 0.039 0.000 1.157 183 P CA 1.385 64.501 63.100 0.027 0.000 0.868 183 P CB 0.335 32.012 31.700 -0.037 0.000 0.788 184 K N -0.068 120.353 120.400 0.034 0.000 2.127 184 K HA -0.184 4.137 4.320 0.000 0.000 0.208 184 K C 2.268 178.901 176.600 0.054 0.000 1.047 184 K CA 1.476 57.785 56.287 0.036 0.000 0.927 184 K CB -0.814 31.703 32.500 0.029 0.000 0.716 184 K HN 0.015 nan 8.250 nan 0.000 0.450 185 A N 1.205 124.072 122.820 0.077 0.000 1.941 185 A HA -0.252 4.068 4.320 0.000 0.000 0.233 185 A C 1.380 179.021 177.584 0.095 0.000 1.649 185 A CA 1.890 53.991 52.037 0.107 0.000 0.726 185 A CB -0.517 18.578 19.000 0.158 0.000 0.843 185 A HN 0.269 nan 8.150 nan 0.000 0.511 186 L N -4.408 116.857 121.223 0.070 0.000 2.532 186 L HA 0.337 4.678 4.340 0.000 0.000 0.245 186 L C -2.535 174.356 176.870 0.036 0.000 1.319 186 L CA -2.241 52.623 54.840 0.042 0.000 1.365 186 L CB 0.431 42.493 42.059 0.005 0.000 1.736 186 L HN -0.232 nan 8.230 nan 0.000 0.517 187 P HA 0.021 nan 4.420 nan 0.000 0.257 187 P C -0.280 177.053 177.300 0.055 0.000 1.359 187 P CA 0.270 63.392 63.100 0.037 0.000 1.239 187 P CB 0.089 31.809 31.700 0.033 0.000 1.549 188 A N 3.163 126.010 122.820 0.044 0.000 2.265 188 A HA -0.002 4.318 4.320 0.000 0.000 0.213 188 A C 1.581 179.187 177.584 0.036 0.000 1.255 188 A CA 0.114 52.173 52.037 0.035 0.000 0.862 188 A CB -1.003 18.007 19.000 0.017 0.000 0.852 188 A HN 0.472 nan 8.150 nan 0.000 0.484 189 L N -1.361 119.893 121.223 0.052 0.000 2.551 189 L HA -0.064 4.276 4.340 0.000 0.000 0.230 189 L C 1.660 178.572 176.870 0.069 0.000 1.163 189 L CA 0.502 55.373 54.840 0.053 0.000 0.826 189 L CB -1.047 41.045 42.059 0.055 0.000 0.943 189 L HN 0.447 nan 8.230 nan 0.000 0.452 190 G N -0.125 108.731 108.800 0.092 0.000 2.849 190 G HA2 0.468 4.429 3.960 0.000 0.000 0.174 190 G HA3 0.468 4.429 3.960 0.000 0.000 0.174 190 G C -0.134 174.786 174.900 0.033 0.000 1.370 190 G CA -0.874 44.305 45.100 0.130 0.000 1.040 190 G HN -0.043 nan 8.290 nan 0.000 0.582 191 L N 2.530 123.743 121.223 -0.016 0.000 2.559 191 L HA 0.176 4.516 4.340 0.000 0.000 0.274 191 L C -1.845 174.863 176.870 -0.270 0.000 1.205 191 L CA -0.634 54.085 54.840 -0.202 0.000 0.907 191 L CB 0.478 42.276 42.059 -0.434 0.000 1.153 191 L HN 0.278 nan 8.230 nan 0.000 0.490 192 P HA 0.172 nan 4.420 nan 0.000 0.284 192 P C 0.056 177.237 177.300 -0.198 0.000 1.459 192 P CA -0.295 62.707 63.100 -0.164 0.000 0.982 192 P CB 1.363 33.006 31.700 -0.096 0.000 1.184 193 E N 2.219 122.281 120.200 -0.230 0.000 4.028 193 E HA -0.220 4.130 4.350 0.000 0.000 0.343 193 E C -0.612 175.739 176.600 -0.416 0.000 0.700 193 E CA 1.242 57.479 56.400 -0.272 0.000 1.288 193 E CB -0.769 28.800 29.700 -0.217 0.000 1.677 193 E HN 0.567 nan 8.360 nan 0.000 0.424 194 E N 0.996 120.966 120.200 -0.383 0.000 3.037 194 E HA 0.438 4.788 4.350 0.000 0.000 0.220 194 E C -0.971 175.348 176.600 -0.469 0.000 1.142 194 E CA -0.439 55.740 56.400 -0.369 0.000 0.888 194 E CB 0.913 30.464 29.700 -0.248 0.000 1.329 194 E HN 0.135 nan 8.360 nan 0.000 0.409 195 K N 1.093 121.140 120.400 -0.588 0.000 2.270 195 K HA 0.743 5.063 4.320 0.000 0.000 0.255 195 K C -1.005 175.272 176.600 -0.539 0.000 0.936 195 K CA -1.124 54.588 56.287 -0.959 0.000 0.809 195 K CB 2.474 33.922 32.500 -1.754 0.000 1.131 195 K HN 0.169 nan 8.250 nan 0.000 0.427 196 V N 2.494 122.247 119.914 -0.268 0.000 2.808 196 V HA 0.288 4.408 4.120 0.000 0.000 0.308 196 V C -0.817 175.206 176.094 -0.117 0.000 1.099 196 V CA -0.992 61.270 62.300 -0.064 0.000 0.920 196 V CB 2.278 34.084 31.823 -0.028 0.000 1.014 196 V HN 0.461 nan 8.190 nan 0.000 0.425 197 V N 4.482 124.384 119.914 -0.021 0.000 2.394 197 V HA 0.425 4.545 4.120 0.000 0.000 0.282 197 V C -0.732 175.280 176.094 -0.136 0.000 1.031 197 V CA -0.722 61.506 62.300 -0.119 0.000 0.881 197 V CB 1.410 33.244 31.823 0.018 0.000 0.982 197 V HN 0.724 nan 8.190 nan 0.000 0.451 198 Y N 3.880 124.233 120.300 0.087 0.000 2.526 198 Y HA 0.148 4.699 4.550 0.000 0.000 0.330 198 Y C 1.341 177.272 175.900 0.052 0.000 1.156 198 Y CA -0.009 58.130 58.100 0.065 0.000 1.419 198 Y CB -0.416 38.077 38.460 0.054 0.000 1.250 198 Y HN 0.850 nan 8.280 nan 0.000 0.540 199 N N -1.272 117.551 118.700 0.205 0.000 2.909 199 N HA -0.209 4.531 4.740 0.000 0.000 0.242 199 N C -0.459 175.109 175.510 0.096 0.000 0.975 199 N CA 0.361 53.488 53.050 0.129 0.000 0.921 199 N CB -0.774 37.782 38.487 0.114 0.000 1.112 199 N HN 0.673 nan 8.380 nan 0.000 0.581 200 A N 0.011 122.878 122.820 0.079 0.000 2.288 200 A HA 0.695 5.016 4.320 0.000 0.000 0.328 200 A C 0.295 177.895 177.584 0.026 0.000 1.123 200 A CA -0.176 51.888 52.037 0.044 0.000 0.861 200 A CB 0.898 19.896 19.000 -0.003 0.000 1.272 200 A HN 0.067 nan 8.150 nan 0.000 0.490 201 T N 2.665 117.212 114.554 -0.011 0.000 2.761 201 T HA 0.272 4.622 4.350 0.000 0.000 0.296 201 T C -0.188 174.430 174.700 -0.136 0.000 0.934 201 T CA -0.072 62.005 62.100 -0.038 0.000 1.091 201 T CB -0.294 68.559 68.868 -0.024 0.000 0.896 201 T HN 0.555 nan 8.240 nan 0.000 0.515 202 N N 2.501 121.135 118.700 -0.110 0.000 2.342 202 N HA 0.608 5.348 4.740 0.000 0.000 0.293 202 N C -0.579 174.717 175.510 -0.357 0.000 1.026 202 N CA -0.489 52.437 53.050 -0.207 0.000 0.857 202 N CB 2.457 40.902 38.487 -0.069 0.000 1.256 202 N HN 0.463 nan 8.380 nan 0.000 0.484 203 V N -0.477 119.075 119.914 -0.605 0.000 3.130 203 V HA 0.712 4.832 4.120 0.000 0.000 0.310 203 V C -1.644 173.856 176.094 -0.990 0.000 1.158 203 V CA -0.757 61.152 62.300 -0.652 0.000 1.029 203 V CB 1.723 33.267 31.823 -0.465 0.000 1.057 203 V HN 0.519 nan 8.190 nan 0.000 0.436 204 Y N 0.684 120.810 120.300 -0.290 0.000 2.477 204 Y HA 0.807 5.357 4.550 0.001 0.000 0.347 204 Y C -0.993 174.752 175.900 -0.259 0.000 0.981 204 Y CA -0.987 56.989 58.100 -0.206 0.000 1.033 204 Y CB 2.397 40.830 38.460 -0.045 0.000 1.245 204 Y HN 0.588 nan 8.280 nan 0.000 0.455 205 F N 2.365 122.425 119.950 0.183 0.000 2.564 205 F HA 0.358 4.885 4.527 0.000 0.000 0.361 205 F C 0.641 176.513 175.800 0.121 0.000 1.161 205 F CA -1.455 56.612 58.000 0.112 0.000 1.198 205 F CB 0.521 39.558 39.000 0.062 0.000 1.424 205 F HN 0.542 nan 8.300 nan 0.000 0.517 206 N N 1.333 120.199 118.700 0.277 0.000 2.571 206 N HA -0.118 4.622 4.740 0.000 0.000 0.189 206 N C 1.210 176.801 175.510 0.134 0.000 1.154 206 N CA 0.481 53.637 53.050 0.176 0.000 0.907 206 N CB 0.071 38.623 38.487 0.108 0.000 0.977 206 N HN 0.522 nan 8.380 nan 0.000 0.449 207 N N 0.013 118.796 118.700 0.138 0.000 2.280 207 N HA 0.015 4.755 4.740 0.000 0.000 0.192 207 N C 0.047 175.600 175.510 0.072 0.000 1.109 207 N CA 0.035 53.132 53.050 0.078 0.000 0.855 207 N CB 0.339 38.858 38.487 0.053 0.000 0.974 207 N HN 0.125 nan 8.380 nan 0.000 0.482 208 M N 1.121 120.791 119.600 0.116 0.000 2.436 208 M HA 0.245 4.725 4.480 0.000 0.000 0.331 208 M C 0.136 176.526 176.300 0.150 0.000 1.135 208 M CA -0.669 54.697 55.300 0.110 0.000 0.987 208 M CB 2.128 34.794 32.600 0.110 0.000 1.687 208 M HN -0.017 nan 8.290 nan 0.000 0.445 209 T N -3.060 111.581 114.554 0.145 0.000 2.810 209 T HA 0.192 4.542 4.350 0.000 0.000 0.277 209 T C 0.901 175.765 174.700 0.274 0.000 0.973 209 T CA -0.274 61.944 62.100 0.198 0.000 0.949 209 T CB 0.823 69.797 68.868 0.177 0.000 1.075 209 T HN 0.741 nan 8.240 nan 0.000 0.537 210 H N -0.062 119.145 119.070 0.228 0.000 2.251 210 H HA -0.067 4.490 4.556 0.000 0.000 0.294 210 H C 1.864 177.391 175.328 0.331 0.000 1.078 210 H CA 2.525 58.751 56.048 0.298 0.000 1.246 210 H CB -0.772 29.195 29.762 0.342 0.000 1.358 210 H HN 0.327 nan 8.280 nan 0.000 0.488 211 V N 0.722 120.766 119.914 0.216 0.000 2.591 211 V HA -0.194 3.926 4.120 0.000 0.000 0.249 211 V C 2.517 178.603 176.094 -0.013 0.000 1.053 211 V CA 1.806 64.125 62.300 0.031 0.000 1.068 211 V CB -0.661 31.189 31.823 0.045 0.000 0.689 211 V HN 0.521 nan 8.190 nan 0.000 0.462 212 Q N 0.153 119.995 119.800 0.069 0.000 2.112 212 Q HA -0.282 4.058 4.340 0.000 0.000 0.206 212 Q C 2.281 178.276 176.000 -0.008 0.000 0.987 212 Q CA 2.273 58.101 55.803 0.041 0.000 0.858 212 Q CB -0.265 28.517 28.738 0.072 0.000 0.905 212 Q HN 0.656 nan 8.270 nan 0.000 0.420 213 L N -0.001 121.241 121.223 0.032 0.000 2.083 213 L HA -0.200 4.140 4.340 0.000 0.000 0.209 213 L C 2.546 179.387 176.870 -0.048 0.000 1.083 213 L CA 1.504 56.366 54.840 0.036 0.000 0.752 213 L CB -0.418 41.733 42.059 0.154 0.000 0.899 213 L HN 0.523 nan 8.230 nan 0.000 0.433 214 C N -0.417 118.776 119.300 -0.179 0.000 2.435 214 C HA -0.089 4.371 4.460 0.000 0.000 0.279 214 C C 2.692 177.537 174.990 -0.242 0.000 1.321 214 C CA 1.437 60.272 59.018 -0.306 0.000 1.752 214 C CB -1.027 26.227 27.740 -0.810 0.000 1.959 214 C HN 0.768 nan 8.230 nan 0.000 0.500 215 T N -2.212 112.217 114.554 -0.207 0.000 3.054 215 T HA 0.162 4.512 4.350 0.000 0.000 0.255 215 T C 0.660 175.235 174.700 -0.208 0.000 1.035 215 T CA 0.563 62.536 62.100 -0.212 0.000 0.941 215 T CB -0.276 68.516 68.868 -0.127 0.000 1.026 215 T HN 0.401 nan 8.240 nan 0.000 0.533 216 S N 2.923 118.508 115.700 -0.191 0.000 2.576 216 S HA 0.247 4.717 4.470 0.000 0.000 0.276 216 S C -1.121 173.276 174.600 -0.338 0.000 1.339 216 S CA -1.332 56.716 58.200 -0.254 0.000 1.039 216 S CB 1.101 64.157 63.200 -0.240 0.000 0.902 216 S HN 0.141 nan 8.310 nan 0.000 0.516 217 P HA -0.052 nan 4.420 nan 0.000 0.223 217 P C 0.676 177.809 177.300 -0.279 0.000 1.151 217 P CA 0.980 63.815 63.100 -0.441 0.000 0.787 217 P CB 0.120 31.409 31.700 -0.684 0.000 0.788 218 E N -0.275 119.718 120.200 -0.345 0.000 2.107 218 E HA -0.072 4.279 4.350 0.000 0.000 0.191 218 E C 1.949 178.414 176.600 -0.225 0.000 0.982 218 E CA 1.271 57.476 56.400 -0.324 0.000 0.809 218 E CB -0.649 28.723 29.700 -0.547 0.000 0.756 218 E HN 0.222 nan 8.360 nan 0.000 0.459 219 T N 1.346 115.767 114.554 -0.221 0.000 2.788 219 T HA -0.170 4.180 4.350 0.000 0.000 0.268 219 T C 1.496 176.168 174.700 -0.046 0.000 1.044 219 T CA 1.042 63.144 62.100 0.004 0.000 1.139 219 T CB -0.360 68.511 68.868 0.005 0.000 0.867 219 T HN 0.170 nan 8.240 nan 0.000 0.454 220 F N 2.483 122.284 119.950 -0.249 0.000 2.095 220 F HA -0.047 4.481 4.527 0.000 0.000 0.298 220 F C 2.448 178.102 175.800 -0.244 0.000 1.104 220 F CA 1.055 58.852 58.000 -0.338 0.000 1.232 220 F CB -0.809 37.891 39.000 -0.501 0.000 0.987 220 F HN 0.144 nan 8.300 nan 0.000 0.475 221 A N 0.037 122.645 122.820 -0.353 0.000 1.908 221 A HA -0.149 4.171 4.320 0.000 0.000 0.218 221 A C 2.310 179.758 177.584 -0.226 0.000 1.181 221 A CA 2.162 53.982 52.037 -0.363 0.000 0.627 221 A CB -1.447 17.458 19.000 -0.158 0.000 0.818 221 A HN 0.315 nan 8.150 nan 0.000 0.445 222 V N -0.005 119.852 119.914 -0.095 0.000 2.295 222 V HA -0.326 3.794 4.120 0.000 0.000 0.246 222 V C 2.653 178.724 176.094 -0.038 0.000 1.049 222 V CA 2.247 64.538 62.300 -0.015 0.000 1.024 222 V CB -0.786 31.079 31.823 0.069 0.000 0.648 222 V HN 0.577 nan 8.190 nan 0.000 0.447 223 M N -1.141 118.407 119.600 -0.086 0.000 2.117 223 M HA -0.165 4.315 4.480 0.000 0.000 0.262 223 M C 2.222 178.508 176.300 -0.023 0.000 1.065 223 M CA 2.111 57.402 55.300 -0.015 0.000 1.114 223 M CB -0.576 32.047 32.600 0.038 0.000 1.361 223 M HN 0.396 nan 8.290 nan 0.000 0.408 224 F N 1.343 121.039 119.950 -0.423 0.000 2.134 224 F HA -0.221 4.306 4.527 0.000 0.000 0.299 224 F C 2.394 178.036 175.800 -0.262 0.000 1.097 224 F CA 2.088 59.839 58.000 -0.415 0.000 1.264 224 F CB -0.258 38.199 39.000 -0.905 0.000 1.001 224 F HN 0.162 nan 8.300 nan 0.000 0.479 225 E N -0.749 119.480 120.200 0.049 0.000 2.106 225 E HA -0.257 4.093 4.350 0.000 0.000 0.192 225 E C 2.178 178.774 176.600 -0.007 0.000 0.984 225 E CA 1.246 57.664 56.400 0.030 0.000 0.806 225 E CB -0.528 29.207 29.700 0.058 0.000 0.750 225 E HN 0.427 nan 8.360 nan 0.000 0.458 226 F N 1.647 121.519 119.950 -0.129 0.000 2.134 226 F HA -0.121 4.407 4.527 0.001 0.000 0.299 226 F C 1.983 177.601 175.800 -0.304 0.000 1.097 226 F CA 1.726 59.638 58.000 -0.146 0.000 1.264 226 F CB -0.120 38.808 39.000 -0.119 0.000 1.001 226 F HN 0.178 nan 8.300 nan 0.000 0.479 227 I N -2.903 117.433 120.570 -0.391 0.000 3.427 227 I HA 0.048 4.218 4.170 0.000 0.000 0.288 227 I C 1.026 176.877 176.117 -0.443 0.000 1.249 227 I CA 0.863 61.720 61.300 -0.740 0.000 1.421 227 I CB -0.374 37.356 38.000 -0.451 0.000 1.086 227 I HN 0.046 nan 8.210 nan 0.000 0.448 228 N N 1.226 119.713 118.700 -0.356 0.000 2.273 228 N HA 0.157 4.897 4.740 0.000 0.000 0.192 228 N C 1.444 176.941 175.510 -0.022 0.000 1.132 228 N CA 1.079 53.986 53.050 -0.237 0.000 0.887 228 N CB 1.352 39.477 38.487 -0.603 0.000 1.048 228 N HN 0.560 nan 8.380 nan 0.000 0.490 229 G N 0.943 109.720 108.800 -0.038 0.000 2.176 229 G HA2 -0.263 3.698 3.960 0.000 0.000 0.253 229 G HA3 -0.263 3.698 3.960 0.000 0.000 0.253 229 G C -0.250 174.801 174.900 0.252 0.000 0.979 229 G CA 0.939 46.098 45.100 0.098 0.000 0.641 229 G HN 0.500 nan 8.290 nan 0.000 0.530 230 Y N -1.753 118.626 120.300 0.132 0.000 2.625 230 Y HA 0.784 5.334 4.550 0.000 0.000 0.338 230 Y C -0.244 175.808 175.900 0.254 0.000 1.123 230 Y CA -2.190 56.013 58.100 0.171 0.000 1.046 230 Y CB 0.727 39.291 38.460 0.174 0.000 1.299 230 Y HN 0.055 nan 8.280 nan 0.000 0.464 231 K N 3.857 124.407 120.400 0.250 0.000 2.322 231 K HA 0.296 4.616 4.320 0.000 0.000 0.283 231 K C -2.462 174.129 176.600 -0.014 0.000 1.042 231 K CA -1.610 54.723 56.287 0.077 0.000 0.958 231 K CB 0.472 33.010 32.500 0.064 0.000 0.984 231 K HN 0.496 nan 8.250 nan 0.000 0.473 232 P HA -0.035 nan 4.420 nan 0.000 0.269 232 P C -0.125 177.055 177.300 -0.201 0.000 1.209 232 P CA 0.005 62.713 63.100 -0.654 0.000 0.776 232 P CB 1.167 32.170 31.700 -1.162 0.000 0.876 233 A N 2.295 125.065 122.820 -0.083 0.000 1.969 233 A HA -0.004 4.316 4.320 0.000 0.000 0.218 233 A C 1.244 178.796 177.584 -0.053 0.000 1.169 233 A CA 1.663 53.692 52.037 -0.013 0.000 0.635 233 A CB -0.619 18.405 19.000 0.039 0.000 0.810 233 A HN 0.648 nan 8.150 nan 0.000 0.445 234 T N -2.860 111.635 114.554 -0.098 0.000 2.900 234 T HA 0.436 4.786 4.350 0.000 0.000 0.303 234 T C 0.442 175.061 174.700 -0.135 0.000 1.142 234 T CA 0.275 62.314 62.100 -0.101 0.000 1.007 234 T CB 1.699 70.513 68.868 -0.091 0.000 1.156 234 T HN 0.317 nan 8.240 nan 0.000 0.490 235 T N -0.672 113.793 114.554 -0.149 0.000 3.040 235 T HA 0.335 4.685 4.350 0.000 0.000 0.266 235 T C -0.017 174.496 174.700 -0.312 0.000 1.005 235 T CA -0.357 61.611 62.100 -0.220 0.000 0.906 235 T CB 0.053 68.832 68.868 -0.148 0.000 1.082 235 T HN 0.464 nan 8.240 nan 0.000 0.531 236 D N 1.481 121.751 120.400 -0.217 0.000 2.344 236 D HA 0.309 4.949 4.640 0.000 0.000 0.244 236 D C 0.079 176.261 176.300 -0.197 0.000 1.134 236 D CA -0.559 53.340 54.000 -0.169 0.000 0.930 236 D CB 1.177 41.923 40.800 -0.091 0.000 1.175 236 D HN 0.297 nan 8.370 nan 0.000 0.437 237 I N 1.797 122.283 120.570 -0.141 0.000 2.256 237 I HA 0.024 4.194 4.170 0.000 0.000 0.294 237 I C -0.189 175.890 176.117 -0.064 0.000 1.127 237 I CA -0.479 60.747 61.300 -0.123 0.000 1.247 237 I CB 0.482 38.428 38.000 -0.090 0.000 1.460 237 I HN -0.114 nan 8.210 nan 0.000 0.511 238 V N 8.897 128.771 119.914 -0.066 0.000 2.439 238 V HA 0.110 4.230 4.120 0.000 0.000 0.271 238 V C -1.907 174.186 176.094 -0.002 0.000 1.040 238 V CA -1.332 60.949 62.300 -0.032 0.000 1.002 238 V CB 0.172 31.975 31.823 -0.033 0.000 1.000 238 V HN 0.538 nan 8.190 nan 0.000 0.477 239 P HA 0.137 nan 4.420 nan 0.000 0.268 239 P C -0.320 176.998 177.300 0.030 0.000 1.204 239 P CA -0.127 62.990 63.100 0.028 0.000 0.768 239 P CB 0.377 32.092 31.700 0.024 0.000 0.842 240 Q N 1.758 121.584 119.800 0.043 0.000 2.249 240 Q HA 0.360 4.701 4.340 0.000 0.000 0.226 240 Q C -0.602 175.421 176.000 0.037 0.000 0.983 240 Q CA -0.918 54.910 55.803 0.041 0.000 0.930 240 Q CB 0.707 29.476 28.738 0.051 0.000 1.193 240 Q HN 0.345 nan 8.270 nan 0.000 0.508 241 D N -0.366 120.055 120.400 0.034 0.000 2.354 241 D HA 0.505 5.145 4.640 0.000 0.000 0.247 241 D C 0.295 176.615 176.300 0.032 0.000 1.138 241 D CA 0.759 54.775 54.000 0.027 0.000 0.958 241 D CB 0.964 41.779 40.800 0.025 0.000 1.144 241 D HN 0.894 nan 8.370 nan 0.000 0.458 242 G N 0.638 109.449 108.800 0.018 0.000 2.587 242 G HA2 -0.145 3.815 3.960 0.000 0.000 0.686 242 G HA3 -0.145 3.815 3.960 0.000 0.000 0.686 242 G C -0.129 174.756 174.900 -0.024 0.000 1.236 242 G CA -0.622 44.488 45.100 0.016 0.000 0.820 242 G HN 0.347 nan 8.290 nan 0.000 0.645 243 D N -0.567 119.765 120.400 -0.113 0.000 2.249 243 D HA 0.145 4.785 4.640 0.000 0.000 0.205 243 D C 0.643 176.759 176.300 -0.307 0.000 0.962 243 D CA 1.443 55.272 54.000 -0.284 0.000 0.860 243 D CB 0.068 40.538 40.800 -0.549 0.000 0.955 243 D HN 0.391 nan 8.370 nan 0.000 0.505 244 Y N -0.469 119.869 120.300 0.064 0.000 2.528 244 Y HA 0.457 5.007 4.550 0.000 0.000 0.335 244 Y C 0.322 176.257 175.900 0.058 0.000 1.093 244 Y CA -1.518 56.624 58.100 0.070 0.000 1.134 244 Y CB 1.679 40.169 38.460 0.049 0.000 1.253 244 Y HN -0.341 nan 8.280 nan 0.000 0.478 245 V N -0.832 119.226 119.914 0.241 0.000 2.876 245 V HA 0.603 4.723 4.120 0.000 0.000 0.312 245 V C -0.925 175.180 176.094 0.017 0.000 1.085 245 V CA -1.512 60.853 62.300 0.109 0.000 0.945 245 V CB 1.828 33.709 31.823 0.095 0.000 1.017 245 V HN 0.749 nan 8.190 nan 0.000 0.428 246 K N 2.447 122.814 120.400 -0.055 0.000 2.227 246 K HA 0.706 5.026 4.320 0.000 0.000 0.280 246 K C -1.454 175.003 176.600 -0.238 0.000 1.041 246 K CA -0.473 55.739 56.287 -0.125 0.000 0.905 246 K CB 1.663 34.092 32.500 -0.118 0.000 1.068 246 K HN 0.707 nan 8.250 nan 0.000 0.470 247 V N 5.259 125.005 119.914 -0.280 0.000 2.409 247 V HA 0.323 4.443 4.120 0.000 0.000 0.291 247 V C -0.620 175.250 176.094 -0.374 0.000 1.020 247 V CA -0.818 61.239 62.300 -0.405 0.000 0.848 247 V CB 1.559 33.078 31.823 -0.507 0.000 0.990 247 V HN 0.755 nan 8.190 nan 0.000 0.430 248 K N 3.192 123.321 120.400 -0.451 0.000 2.323 248 K HA 0.768 5.088 4.320 0.000 0.000 0.259 248 K C 0.089 176.343 176.600 -0.577 0.000 0.947 248 K CA -0.353 55.631 56.287 -0.505 0.000 0.819 248 K CB 2.334 34.580 32.500 -0.423 0.000 1.109 248 K HN 0.890 nan 8.250 nan 0.000 0.429 249 G N 1.656 109.913 108.800 -0.905 0.000 2.866 249 G HA2 0.597 4.557 3.960 0.000 0.000 0.289 249 G HA3 0.597 4.557 3.960 0.000 0.000 0.289 249 G C -1.671 172.927 174.900 -0.503 0.000 1.396 249 G CA -0.519 44.180 45.100 -0.668 0.000 0.848 249 G HN 0.427 nan 8.290 nan 0.000 0.515 250 K N -0.780 119.582 120.400 -0.062 0.000 2.542 250 K HA 0.603 4.923 4.320 0.000 0.000 0.259 250 K C -1.996 174.644 176.600 0.067 0.000 0.932 250 K CA -0.732 55.613 56.287 0.096 0.000 0.820 250 K CB 1.800 34.298 32.500 -0.003 0.000 1.345 250 K HN 0.229 nan 8.250 nan 0.000 0.432 251 F N 5.093 125.077 119.950 0.056 0.000 2.404 251 F HA 0.477 5.004 4.527 0.000 0.000 0.354 251 F C -0.176 175.596 175.800 -0.046 0.000 1.122 251 F CA -0.444 57.489 58.000 -0.111 0.000 1.080 251 F CB 1.261 39.998 39.000 -0.439 0.000 1.131 251 F HN 0.391 nan 8.300 nan 0.000 0.471 252 L N 1.017 122.275 121.223 0.057 0.000 2.469 252 L HA 0.980 5.320 4.340 0.000 0.000 0.256 252 L C -0.985 175.926 176.870 0.068 0.000 1.006 252 L CA -1.446 53.426 54.840 0.053 0.000 0.832 252 L CB 1.720 43.777 42.059 -0.002 0.000 1.421 252 L HN 0.507 nan 8.230 nan 0.000 0.410 253 A N 1.548 124.409 122.820 0.069 0.000 2.450 253 A HA 0.372 4.693 4.320 0.000 0.000 0.255 253 A C -0.441 177.205 177.584 0.103 0.000 1.096 253 A CA -0.202 51.894 52.037 0.098 0.000 0.778 253 A CB -0.091 18.954 19.000 0.075 0.000 1.031 253 A HN 0.614 nan 8.150 nan 0.000 0.494 254 F N 3.325 123.285 119.950 0.017 0.000 2.578 254 F HA 0.340 4.868 4.527 0.000 0.000 0.381 254 F C 1.175 176.965 175.800 -0.017 0.000 1.069 254 F CA 0.855 58.858 58.000 0.005 0.000 1.231 254 F CB -0.008 39.029 39.000 0.063 0.000 1.086 254 F HN 1.398 nan 8.300 nan 0.000 0.564 255 A N 2.878 125.255 122.820 -0.738 0.000 2.079 255 A HA -0.397 3.923 4.320 0.000 0.000 0.230 255 A C 1.882 179.235 177.584 -0.385 0.000 0.537 255 A CA 2.129 53.715 52.037 -0.752 0.000 1.134 255 A CB -2.776 15.608 19.000 -1.026 0.000 1.423 255 A HN 1.334 nan 8.150 nan 0.000 0.706 256 T N -3.248 111.160 114.554 -0.243 0.000 3.043 256 T HA 0.179 4.529 4.350 0.000 0.000 0.263 256 T C 0.908 175.542 174.700 -0.111 0.000 1.094 256 T CA 1.128 63.149 62.100 -0.132 0.000 1.127 256 T CB -0.225 68.609 68.868 -0.055 0.000 0.905 256 T HN 1.282 nan 8.240 nan 0.000 0.490 257 N N 1.362 119.991 118.700 -0.118 0.000 2.741 257 N HA -0.104 4.637 4.740 0.000 0.000 0.251 257 N C 0.358 175.837 175.510 -0.051 0.000 1.112 257 N CA 0.984 53.972 53.050 -0.103 0.000 0.750 257 N CB -1.627 36.757 38.487 -0.172 0.000 1.119 257 N HN 0.789 nan 8.380 nan 0.000 0.561 258 G N -0.209 108.583 108.800 -0.015 0.000 2.503 258 G HA2 0.328 4.288 3.960 0.000 0.000 0.257 258 G HA3 0.328 4.288 3.960 0.000 0.000 0.257 258 G C -0.143 174.773 174.900 0.027 0.000 1.214 258 G CA -0.259 44.846 45.100 0.008 0.000 0.839 258 G HN 0.070 nan 8.290 nan 0.000 0.559 259 D N -0.425 119.992 120.400 0.029 0.000 2.488 259 D HA 0.190 4.831 4.640 0.000 0.000 0.238 259 D C 0.269 176.611 176.300 0.070 0.000 1.138 259 D CA 0.395 54.423 54.000 0.047 0.000 0.873 259 D CB 1.435 42.255 40.800 0.034 0.000 1.183 259 D HN 0.016 nan 8.370 nan 0.000 0.458 260 V N 2.193 122.170 119.914 0.105 0.000 2.513 260 V HA 0.315 4.435 4.120 0.000 0.000 0.299 260 V C 0.298 176.461 176.094 0.116 0.000 1.035 260 V CA -0.616 61.763 62.300 0.132 0.000 0.889 260 V CB 2.012 33.954 31.823 0.200 0.000 0.988 260 V HN 0.445 nan 8.190 nan 0.000 0.440 261 S N 2.338 118.064 115.700 0.042 0.000 2.525 261 S HA 0.910 5.380 4.470 0.000 0.000 0.290 261 S C 0.360 174.840 174.600 -0.200 0.000 1.152 261 S CA 0.134 58.283 58.200 -0.085 0.000 1.072 261 S CB 1.612 64.725 63.200 -0.145 0.000 1.027 261 S HN 1.242 nan 8.310 nan 0.000 0.500 262 G N 1.125 109.689 108.800 -0.394 0.000 2.428 262 G HA2 0.473 4.433 3.960 0.000 0.000 0.305 262 G HA3 0.473 4.433 3.960 0.000 0.000 0.305 262 G C -2.515 171.833 174.900 -0.920 0.000 1.260 262 G CA -0.854 43.801 45.100 -0.743 0.000 0.853 262 G HN 0.568 nan 8.290 nan 0.000 0.480 263 W N -0.196 120.677 121.300 -0.711 0.000 2.600 263 W HA 0.691 5.351 4.660 0.000 0.000 0.325 263 W C -0.577 175.678 176.519 -0.440 0.000 1.034 263 W CA -0.646 56.384 57.345 -0.524 0.000 1.226 263 W CB 2.094 31.334 29.460 -0.366 0.000 1.379 263 W HN 0.421 nan 8.180 nan 0.000 0.466 264 L N 3.460 124.549 121.223 -0.223 0.000 2.313 264 L HA 0.695 5.036 4.340 0.000 0.000 0.283 264 L C -0.407 176.404 176.870 -0.098 0.000 1.013 264 L CA -0.143 54.586 54.840 -0.186 0.000 0.816 264 L CB 1.423 43.217 42.059 -0.441 0.000 1.236 264 L HN 0.234 nan 8.230 nan 0.000 0.419 265 S N 6.146 121.866 115.700 0.033 0.000 2.498 265 S HA 0.661 5.132 4.470 0.000 0.000 0.317 265 S C -0.451 174.063 174.600 -0.142 0.000 1.090 265 S CA -0.379 57.857 58.200 0.059 0.000 1.089 265 S CB 0.910 64.230 63.200 0.201 0.000 0.997 265 S HN 0.507 nan 8.310 nan 0.000 0.470 266 I N 3.599 123.971 120.570 -0.331 0.000 2.378 266 I HA 0.421 4.591 4.170 0.000 0.000 0.291 266 I C -1.321 174.652 176.117 -0.240 0.000 0.992 266 I CA -0.648 60.428 61.300 -0.375 0.000 1.154 266 I CB 1.128 38.740 38.000 -0.647 0.000 1.315 266 I HN 0.577 nan 8.210 nan 0.000 0.448 267 Y N 6.906 127.281 120.300 0.124 0.000 2.376 267 Y HA 0.403 4.953 4.550 0.000 0.000 0.340 267 Y C -2.272 173.865 175.900 0.395 0.000 0.965 267 Y CA -2.568 55.673 58.100 0.235 0.000 1.078 267 Y CB 1.848 40.436 38.460 0.212 0.000 1.193 267 Y HN 0.353 nan 8.280 nan 0.000 0.452 268 P HA 0.251 nan 4.420 nan 0.000 0.275 268 P C -0.680 176.751 177.300 0.218 0.000 1.227 268 P CA 0.109 63.363 63.100 0.257 0.000 0.781 268 P CB 1.370 33.164 31.700 0.157 0.000 0.906 269 I N -0.787 119.867 120.570 0.139 0.000 2.892 269 I HA 0.544 4.715 4.170 0.000 0.000 0.306 269 I C -0.093 176.070 176.117 0.075 0.000 1.078 269 I CA -1.361 60.029 61.300 0.151 0.000 1.032 269 I CB 2.178 40.325 38.000 0.245 0.000 1.229 269 I HN 0.161 nan 8.210 nan 0.000 0.435 270 D N 1.997 122.433 120.400 0.059 0.000 2.478 270 D HA 0.053 4.693 4.640 0.000 0.000 0.274 270 D C 0.850 177.160 176.300 0.018 0.000 1.234 270 D CA -0.234 53.781 54.000 0.025 0.000 1.069 270 D CB 0.359 41.166 40.800 0.012 0.000 1.113 270 D HN 0.806 nan 8.370 nan 0.000 0.571 271 E N -1.044 119.154 120.200 -0.004 0.000 2.401 271 E HA -0.185 4.165 4.350 0.000 0.000 0.199 271 E C 0.332 176.921 176.600 -0.017 0.000 1.023 271 E CA 0.718 57.108 56.400 -0.015 0.000 0.859 271 E CB -0.404 29.279 29.700 -0.028 0.000 0.780 271 E HN 0.267 nan 8.360 nan 0.000 0.523 272 N N 0.095 118.784 118.700 -0.018 0.000 2.203 272 N HA 0.100 4.840 4.740 0.000 0.000 0.207 272 N C 0.750 176.236 175.510 -0.041 0.000 1.130 272 N CA 0.717 53.745 53.050 -0.036 0.000 0.861 272 N CB 1.436 39.894 38.487 -0.048 0.000 1.005 272 N HN 0.401 nan 8.380 nan 0.000 0.507 273 G N 1.289 110.091 108.800 0.004 0.000 2.159 273 G HA2 -0.301 3.659 3.960 0.000 0.000 0.256 273 G HA3 -0.301 3.659 3.960 0.000 0.000 0.256 273 G C 0.150 175.079 174.900 0.050 0.000 0.977 273 G CA 0.112 45.237 45.100 0.042 0.000 0.652 273 G HN 0.384 nan 8.290 nan 0.000 0.531 274 K N 0.839 121.246 120.400 0.012 0.000 2.249 274 K HA 0.433 4.753 4.320 0.000 0.000 0.280 274 K C 0.803 177.432 176.600 0.049 0.000 1.033 274 K CA -0.761 55.524 56.287 -0.003 0.000 0.946 274 K CB 0.314 32.798 32.500 -0.027 0.000 1.005 274 K HN 0.305 nan 8.250 nan 0.000 0.469 275 R N 4.080 124.604 120.500 0.040 0.000 2.449 275 R HA 0.024 4.364 4.340 0.000 0.000 0.296 275 R C 0.881 177.239 176.300 0.097 0.000 1.047 275 R CA -0.031 56.117 56.100 0.080 0.000 1.018 275 R CB 0.341 30.612 30.300 -0.048 0.000 0.962 275 R HN 0.635 nan 8.270 nan 0.000 0.428 276 L N 1.651 122.957 121.223 0.138 0.000 2.492 276 L HA 0.004 4.344 4.340 0.000 0.000 0.223 276 L C 0.844 177.789 176.870 0.124 0.000 1.132 276 L CA 0.582 55.487 54.840 0.109 0.000 0.850 276 L CB -0.102 42.014 42.059 0.095 0.000 0.966 276 L HN 0.732 nan 8.230 nan 0.000 0.454 277 T N -5.055 109.611 114.554 0.187 0.000 2.908 277 T HA 0.370 4.720 4.350 0.000 0.000 0.290 277 T C 0.932 175.755 174.700 0.205 0.000 1.034 277 T CA -0.918 61.289 62.100 0.177 0.000 1.010 277 T CB 2.217 71.191 68.868 0.176 0.000 1.068 277 T HN -0.156 nan 8.240 nan 0.000 0.481 278 R N 0.313 120.896 120.500 0.139 0.000 2.075 278 R HA 0.205 4.545 4.340 0.000 0.000 0.232 278 R C 0.601 177.001 176.300 0.167 0.000 1.126 278 R CA 0.863 57.038 56.100 0.124 0.000 0.963 278 R CB -0.652 29.689 30.300 0.068 0.000 0.858 278 R HN 0.613 nan 8.270 nan 0.000 0.435 279 L N 1.558 122.854 121.223 0.122 0.000 2.313 279 L HA 0.419 4.759 4.340 0.000 0.000 0.268 279 L C -2.172 174.666 176.870 -0.054 0.000 1.010 279 L CA -2.428 52.443 54.840 0.051 0.000 0.814 279 L CB 1.584 43.626 42.059 -0.028 0.000 1.304 279 L HN -0.086 nan 8.230 nan 0.000 0.441 280 P HA 0.004 nan 4.420 nan 0.000 0.272 280 P C 0.672 177.807 177.300 -0.274 0.000 1.223 280 P CA -0.288 62.390 63.100 -0.704 0.000 0.784 280 P CB 1.100 32.340 31.700 -0.766 0.000 0.923 281 V N -1.352 118.443 119.914 -0.198 0.000 2.871 281 V HA 0.080 4.201 4.120 0.000 0.000 0.256 281 V C 0.581 176.626 176.094 -0.082 0.000 1.082 281 V CA 1.281 63.542 62.300 -0.065 0.000 1.105 281 V CB -0.989 30.856 31.823 0.036 0.000 0.713 281 V HN 0.362 nan 8.190 nan 0.000 0.473 282 K N 0.333 120.649 120.400 -0.140 0.000 2.513 282 K HA 0.547 4.867 4.320 0.000 0.000 0.251 282 K C -1.939 174.632 176.600 -0.048 0.000 0.939 282 K CA -0.334 55.890 56.287 -0.105 0.000 0.793 282 K CB 2.796 35.194 32.500 -0.170 0.000 1.241 282 K HN 0.193 nan 8.250 nan 0.000 0.431 283 F N 4.662 124.519 119.950 -0.155 0.000 2.557 283 F HA 0.582 5.109 4.527 0.000 0.000 0.316 283 F C -1.050 174.718 175.800 -0.052 0.000 1.141 283 F CA -0.737 57.195 58.000 -0.113 0.000 0.922 283 F CB 1.207 40.157 39.000 -0.083 0.000 1.194 283 F HN 0.550 nan 8.300 nan 0.000 0.443 284 M N 4.808 124.030 119.600 -0.629 0.000 2.603 284 M HA 0.541 5.021 4.480 0.000 0.000 0.275 284 M C -1.619 174.329 176.300 -0.588 0.000 1.226 284 M CA -1.024 53.979 55.300 -0.495 0.000 0.870 284 M CB 2.233 34.655 32.600 -0.295 0.000 1.716 284 M HN 0.458 nan 8.290 nan 0.000 0.482 285 R N 2.365 122.507 120.500 -0.597 0.000 2.265 285 R HA 0.633 4.974 4.340 0.000 0.000 0.314 285 R C -1.242 174.719 176.300 -0.565 0.000 1.053 285 R CA -0.201 55.333 56.100 -0.944 0.000 0.931 285 R CB 1.139 30.800 30.300 -1.064 0.000 1.024 285 R HN 0.759 nan 8.270 nan 0.000 0.457 286 V N 1.302 120.903 119.914 -0.522 0.000 2.581 286 V HA 0.609 4.729 4.120 0.000 0.000 0.303 286 V C -0.442 175.525 176.094 -0.211 0.000 1.041 286 V CA -0.826 61.307 62.300 -0.278 0.000 0.907 286 V CB 2.019 33.705 31.823 -0.228 0.000 0.994 286 V HN 0.641 nan 8.190 nan 0.000 0.442 287 K N 4.126 124.463 120.400 -0.104 0.000 2.646 287 K HA 0.611 4.931 4.320 0.000 0.000 0.210 287 K C 0.648 177.256 176.600 0.013 0.000 1.020 287 K CA -0.013 56.235 56.287 -0.064 0.000 1.040 287 K CB 1.092 33.541 32.500 -0.084 0.000 1.253 287 K HN 1.468 nan 8.250 nan 0.000 0.532 288 G N 2.701 111.543 108.800 0.069 0.000 2.950 288 G HA2 -0.278 3.683 3.960 0.000 0.000 0.299 288 G HA3 -0.278 3.683 3.960 0.000 0.000 0.299 288 G C -0.333 174.666 174.900 0.164 0.000 1.310 288 G CA -0.122 45.040 45.100 0.103 0.000 0.994 288 G HN 0.576 nan 8.290 nan 0.000 0.575 289 D N 1.703 122.158 120.400 0.091 0.000 2.341 289 D HA 0.555 5.195 4.640 0.000 0.000 0.245 289 D C 0.105 176.487 176.300 0.138 0.000 1.106 289 D CA 1.317 55.351 54.000 0.056 0.000 0.905 289 D CB 1.016 41.797 40.800 -0.032 0.000 1.202 289 D HN 0.540 nan 8.370 nan 0.000 0.426 290 F N -1.371 118.567 119.950 -0.020 0.000 2.662 290 F HA 0.581 5.108 4.527 0.000 0.000 0.312 290 F C -1.027 174.740 175.800 -0.055 0.000 1.113 290 F CA -1.147 56.828 58.000 -0.042 0.000 0.951 290 F CB 1.807 40.788 39.000 -0.031 0.000 1.344 290 F HN 0.175 nan 8.300 nan 0.000 0.462 291 E N 1.728 121.941 120.200 0.022 0.000 2.290 291 E HA 0.665 5.015 4.350 0.000 0.000 0.274 291 E C -2.302 174.314 176.600 0.028 0.000 0.889 291 E CA -0.913 55.429 56.400 -0.097 0.000 0.760 291 E CB 2.964 32.595 29.700 -0.116 0.000 1.206 291 E HN 0.862 nan 8.360 nan 0.000 0.419 292 V N 3.685 123.598 119.914 -0.002 0.000 3.087 292 V HA 0.557 4.678 4.120 0.000 0.000 0.306 292 V C -1.574 174.484 176.094 -0.059 0.000 1.187 292 V CA -0.751 61.548 62.300 -0.002 0.000 0.999 292 V CB 2.158 34.015 31.823 0.057 0.000 1.049 292 V HN 0.765 nan 8.190 nan 0.000 0.431 293 R N 4.523 124.981 120.500 -0.070 0.000 2.294 293 R HA 0.759 5.099 4.340 0.000 0.000 0.319 293 R C -1.538 174.757 176.300 -0.008 0.000 0.984 293 R CA -0.395 55.663 56.100 -0.071 0.000 0.861 293 R CB 1.057 31.263 30.300 -0.155 0.000 1.104 293 R HN 0.775 nan 8.270 nan 0.000 0.451 294 L N 2.875 124.150 121.223 0.087 0.000 2.257 294 L HA 0.602 4.942 4.340 0.000 0.000 0.257 294 L C -0.035 177.090 176.870 0.425 0.000 1.033 294 L CA -1.382 53.585 54.840 0.211 0.000 0.835 294 L CB 2.000 44.123 42.059 0.107 0.000 1.398 294 L HN 0.538 nan 8.230 nan 0.000 0.429 295 R N 1.075 121.890 120.500 0.525 0.000 2.308 295 R HA 0.233 4.573 4.340 0.000 0.000 0.305 295 R C -0.396 176.096 176.300 0.321 0.000 1.053 295 R CA -0.609 55.709 56.100 0.363 0.000 0.957 295 R CB 1.068 31.528 30.300 0.267 0.000 1.022 295 R HN 0.371 nan 8.270 nan 0.000 0.461 296 K N 1.139 121.654 120.400 0.192 0.000 2.401 296 K HA 0.005 4.325 4.320 0.000 0.000 0.278 296 K C 0.774 177.450 176.600 0.127 0.000 1.018 296 K CA 1.109 57.501 56.287 0.175 0.000 0.981 296 K CB 0.465 33.026 32.500 0.102 0.000 0.933 296 K HN 0.797 nan 8.250 nan 0.000 0.477 297 G N 2.218 111.100 108.800 0.137 0.000 2.184 297 G HA2 -0.317 3.643 3.960 0.000 0.000 0.264 297 G HA3 -0.317 3.643 3.960 0.000 0.000 0.264 297 G C -0.086 174.831 174.900 0.028 0.000 0.975 297 G CA 0.779 45.919 45.100 0.067 0.000 0.642 297 G HN 0.630 nan 8.290 nan 0.000 0.536 298 Q N 0.392 120.211 119.800 0.031 0.000 2.256 298 Q HA 0.689 5.029 4.340 0.000 0.000 0.254 298 Q C 0.474 176.330 176.000 -0.239 0.000 0.916 298 Q CA -0.688 55.029 55.803 -0.143 0.000 0.932 298 Q CB 0.691 29.274 28.738 -0.259 0.000 1.207 298 Q HN 0.366 nan 8.270 nan 0.000 0.426 299 L N 4.736 125.844 121.223 -0.191 0.000 2.416 299 L HA 0.256 4.596 4.340 0.000 0.000 0.272 299 L C -0.763 176.027 176.870 -0.133 0.000 1.161 299 L CA -0.015 54.790 54.840 -0.059 0.000 0.845 299 L CB 0.200 42.277 42.059 0.030 0.000 1.119 299 L HN 0.724 nan 8.230 nan 0.000 0.464 300 Y N 1.017 121.513 120.300 0.326 0.000 2.553 300 Y HA 0.359 4.909 4.550 0.000 0.000 0.347 300 Y C -0.167 176.010 175.900 0.462 0.000 1.019 300 Y CA -0.977 57.360 58.100 0.395 0.000 1.032 300 Y CB 1.816 40.567 38.460 0.486 0.000 1.284 300 Y HN 0.448 nan 8.280 nan 0.000 0.466 301 E N 2.380 122.945 120.200 0.608 0.000 2.158 301 E HA 0.399 4.750 4.350 0.000 0.000 0.271 301 E C -1.864 174.999 176.600 0.438 0.000 0.911 301 E CA -0.478 56.151 56.400 0.382 0.000 0.767 301 E CB 0.793 30.723 29.700 0.382 0.000 1.120 301 E HN 0.595 nan 8.360 nan 0.000 0.405 302 F N 3.688 123.721 119.950 0.138 0.000 2.308 302 F HA 0.194 4.721 4.527 0.000 0.000 0.370 302 F C 0.548 176.457 175.800 0.181 0.000 1.100 302 F CA -0.656 57.428 58.000 0.141 0.000 1.108 302 F CB 1.483 40.527 39.000 0.073 0.000 1.293 302 F HN 0.386 nan 8.300 nan 0.000 0.478 303 Q N 4.733 124.681 119.800 0.245 0.000 2.257 303 Q HA 0.362 4.703 4.340 0.000 0.000 0.255 303 Q C -1.750 174.375 176.000 0.208 0.000 0.920 303 Q CA -0.522 55.373 55.803 0.152 0.000 0.927 303 Q CB 1.343 30.157 28.738 0.126 0.000 1.229 303 Q HN 0.612 nan 8.270 nan 0.000 0.433 304 F N 3.041 123.019 119.950 0.047 0.000 2.565 304 F HA 0.528 5.055 4.527 0.000 0.000 0.313 304 F C -1.247 174.601 175.800 0.079 0.000 1.091 304 F CA -0.750 57.236 58.000 -0.023 0.000 0.915 304 F CB 1.677 40.656 39.000 -0.034 0.000 1.208 304 F HN 0.504 nan 8.300 nan 0.000 0.453 305 R N 4.871 125.057 120.500 -0.523 0.000 2.409 305 R HA 0.349 4.689 4.340 0.000 0.000 0.313 305 R C -1.022 174.844 176.300 -0.724 0.000 0.953 305 R CA -1.048 54.851 56.100 -0.334 0.000 0.849 305 R CB 1.913 32.121 30.300 -0.153 0.000 1.171 305 R HN 0.632 nan 8.270 nan 0.000 0.458 306 K N 1.648 121.796 120.400 -0.420 0.000 2.143 306 K HA 0.234 4.554 4.320 0.000 0.000 0.272 306 K C -0.759 175.699 176.600 -0.237 0.000 1.001 306 K CA -0.860 55.195 56.287 -0.386 0.000 0.915 306 K CB 0.950 33.447 32.500 -0.005 0.000 1.047 306 K HN 0.215 nan 8.250 nan 0.000 0.458 307 D N 2.237 122.434 120.400 -0.338 0.000 2.525 307 D HA -0.063 4.578 4.640 0.000 0.000 0.235 307 D C -0.108 175.917 176.300 -0.458 0.000 1.137 307 D CA 0.659 54.300 54.000 -0.598 0.000 0.868 307 D CB -0.277 39.973 40.800 -0.917 0.000 1.180 307 D HN 0.602 nan 8.370 nan 0.000 0.465 308 F N -0.745 119.221 119.950 0.026 0.000 2.926 308 F HA -0.245 4.283 4.527 0.000 0.000 0.288 308 F C 0.586 176.411 175.800 0.041 0.000 0.756 308 F CA 0.537 58.556 58.000 0.032 0.000 1.292 308 F CB -2.174 36.845 39.000 0.032 0.000 1.482 308 F HN 0.220 nan 8.300 nan 0.000 0.400 309 S N -0.053 115.731 115.700 0.139 0.000 2.540 309 S HA 0.751 5.221 4.470 0.000 0.000 0.275 309 S C -1.527 173.107 174.600 0.056 0.000 1.123 309 S CA -0.572 57.702 58.200 0.122 0.000 0.907 309 S CB 2.220 65.525 63.200 0.175 0.000 1.081 309 S HN -0.089 nan 8.310 nan 0.000 0.476 310 P HA 0.263 nan 4.420 nan 0.000 0.257 310 P C 0.116 177.359 177.300 -0.095 0.000 1.241 310 P CA -0.090 62.992 63.100 -0.030 0.000 0.816 310 P CB 0.013 31.697 31.700 -0.026 0.000 1.150 311 I N 1.592 122.098 120.570 -0.107 0.000 2.752 311 I HA 0.007 4.177 4.170 0.000 0.000 0.287 311 I C 1.118 177.002 176.117 -0.388 0.000 1.188 311 I CA -0.481 60.645 61.300 -0.289 0.000 1.427 311 I CB -0.161 37.604 38.000 -0.392 0.000 1.365 311 I HN -0.093 nan 8.210 nan 0.000 0.585 312 I N 6.898 127.181 120.570 -0.478 0.000 2.339 312 I HA 0.218 4.389 4.170 0.000 0.000 0.290 312 I C -0.686 175.084 176.117 -0.577 0.000 0.994 312 I CA -0.638 60.416 61.300 -0.409 0.000 1.191 312 I CB 0.752 38.573 38.000 -0.297 0.000 1.343 312 I HN 0.317 nan 8.210 nan 0.000 0.458 313 Y N 4.714 124.859 120.300 -0.260 0.000 2.323 313 Y HA 0.397 4.948 4.550 0.000 0.000 0.331 313 Y C 0.284 175.901 175.900 -0.472 0.000 1.092 313 Y CA -0.429 57.530 58.100 -0.236 0.000 1.150 313 Y CB 0.893 39.376 38.460 0.038 0.000 1.200 313 Y HN 0.409 nan 8.280 nan 0.000 0.472 314 H N 3.817 122.839 119.070 -0.080 0.000 2.800 314 H HA 0.232 4.788 4.556 0.000 0.000 0.322 314 H C -1.503 173.722 175.328 -0.171 0.000 0.979 314 H CA -0.829 55.142 56.048 -0.130 0.000 1.277 314 H CB 0.881 30.478 29.762 -0.274 0.000 1.484 314 H HN 0.693 nan 8.280 nan 0.000 0.512 315 Y N 2.344 122.639 120.300 -0.007 0.000 2.330 315 Y HA 0.274 4.824 4.550 0.000 0.000 0.336 315 Y C -0.405 175.385 175.900 -0.183 0.000 1.036 315 Y CA -0.606 57.506 58.100 0.020 0.000 1.125 315 Y CB 1.077 39.683 38.460 0.242 0.000 1.194 315 Y HN 0.474 nan 8.280 nan 0.000 0.469 316 Y N 2.397 122.838 120.300 0.236 0.000 2.462 316 Y HA 0.728 5.278 4.550 0.000 0.000 0.346 316 Y C -0.113 175.812 175.900 0.042 0.000 0.976 316 Y CA -1.284 56.922 58.100 0.178 0.000 1.044 316 Y CB 2.103 40.621 38.460 0.097 0.000 1.230 316 Y HN 0.594 nan 8.280 nan 0.000 0.455 317 R N 0.581 121.265 120.500 0.307 0.000 2.762 317 R HA 0.930 5.270 4.340 0.000 0.000 0.271 317 R C -1.498 174.997 176.300 0.324 0.000 1.038 317 R CA -1.279 54.964 56.100 0.239 0.000 0.906 317 R CB 0.772 31.049 30.300 -0.037 0.000 1.259 317 R HN 0.656 nan 8.270 nan 0.000 0.457 318 A N 0.934 123.872 122.820 0.196 0.000 2.346 318 A HA 0.512 4.833 4.320 0.000 0.000 0.252 318 A C -2.084 175.444 177.584 -0.094 0.000 1.089 318 A CA -1.166 50.892 52.037 0.035 0.000 0.797 318 A CB -0.535 18.461 19.000 -0.006 0.000 1.047 318 A HN 0.564 nan 8.150 nan 0.000 0.494 319 P HA 0.244 nan 4.420 nan 0.000 0.272 319 P C -0.869 176.386 177.300 -0.076 0.000 1.230 319 P CA 0.150 63.223 63.100 -0.045 0.000 0.788 319 P CB 0.199 31.913 31.700 0.024 0.000 0.949 320 F N 0.309 120.373 119.950 0.190 0.000 2.427 320 F HA 0.126 4.653 4.527 0.001 0.000 0.352 320 F C 1.622 177.491 175.800 0.114 0.000 1.100 320 F CA -0.164 57.925 58.000 0.148 0.000 1.191 320 F CB 0.593 39.698 39.000 0.175 0.000 1.128 320 F HN 0.078 nan 8.300 nan 0.000 0.533 321 V N 0.921 120.981 119.914 0.244 0.000 3.661 321 V HA 0.365 4.485 4.120 0.000 0.000 0.271 321 V C 0.236 176.411 176.094 0.134 0.000 1.315 321 V CA 0.145 62.535 62.300 0.149 0.000 1.072 321 V CB -0.459 31.414 31.823 0.083 0.000 0.830 321 V HN 0.836 nan 8.190 nan 0.000 0.443 322 R N -1.314 119.282 120.500 0.160 0.000 2.766 322 R HA 0.495 4.835 4.340 0.000 0.000 0.270 322 R C -1.657 174.704 176.300 0.102 0.000 1.035 322 R CA -0.825 55.343 56.100 0.114 0.000 0.911 322 R CB 0.295 30.647 30.300 0.087 0.000 1.243 322 R HN 0.029 nan 8.270 nan 0.000 0.460 323 D N 0.895 121.323 120.400 0.047 0.000 2.506 323 D HA 0.078 4.718 4.640 0.000 0.000 0.234 323 D C -0.793 175.474 176.300 -0.055 0.000 1.143 323 D CA 1.015 54.990 54.000 -0.041 0.000 0.871 323 D CB 0.516 41.279 40.800 -0.061 0.000 1.190 323 D HN 0.415 nan 8.370 nan 0.000 0.459 324 D N 1.735 122.005 120.400 -0.217 0.000 2.476 324 D HA 0.169 4.810 4.640 0.000 0.000 0.251 324 D C -0.067 175.890 176.300 -0.571 0.000 1.291 324 D CA -0.473 53.394 54.000 -0.222 0.000 0.939 324 D CB 0.579 41.364 40.800 -0.025 0.000 1.221 324 D HN 0.191 nan 8.370 nan 0.000 0.567 325 L N 2.232 122.702 121.223 -1.256 0.000 2.741 325 L HA 0.329 4.670 4.340 0.000 0.000 0.237 325 L C 0.422 176.576 176.870 -1.193 0.000 1.178 325 L CA -0.227 53.853 54.840 -1.267 0.000 0.973 325 L CB 0.267 41.506 42.059 -1.367 0.000 1.255 325 L HN 0.401 nan 8.230 nan 0.000 0.498 326 W N 0.625 121.882 121.300 -0.073 0.000 2.075 326 W HA 0.458 5.119 4.660 0.000 0.000 0.332 326 W C 0.463 176.930 176.519 -0.087 0.000 0.905 326 W CA -0.860 56.449 57.345 -0.060 0.000 2.126 326 W CB 0.004 29.454 29.460 -0.017 0.000 1.143 326 W HN -0.038 nan 8.180 nan 0.000 0.542 327 A N 2.121 124.923 122.820 -0.031 0.000 2.440 327 A HA 0.639 4.959 4.320 0.000 0.000 0.251 327 A C 0.352 177.830 177.584 -0.177 0.000 1.089 327 A CA 0.243 52.234 52.037 -0.077 0.000 0.779 327 A CB 0.539 19.536 19.000 -0.005 0.000 1.022 327 A HN 0.102 nan 8.150 nan 0.000 0.492 328 R N 1.078 121.359 120.500 -0.366 0.000 2.575 328 R HA 0.463 4.803 4.340 0.000 0.000 0.293 328 R C -1.987 173.850 176.300 -0.771 0.000 0.983 328 R CA -0.288 55.591 56.100 -0.368 0.000 0.887 328 R CB 1.374 31.564 30.300 -0.182 0.000 1.184 328 R HN 0.620 nan 8.270 nan 0.000 0.445 329 F N 3.333 122.916 119.950 -0.611 0.000 2.382 329 F HA 0.410 4.937 4.527 0.000 0.000 0.361 329 F C 0.509 175.996 175.800 -0.522 0.000 1.109 329 F CA -0.643 56.815 58.000 -0.902 0.000 1.031 329 F CB 0.970 38.730 39.000 -2.066 0.000 1.234 329 F HN 0.120 nan 8.300 nan 0.000 0.445 330 L N 4.049 125.218 121.223 -0.090 0.000 2.397 330 L HA 0.554 4.894 4.340 0.000 0.000 0.271 330 L C -0.269 176.687 176.870 0.143 0.000 1.148 330 L CA -0.616 54.255 54.840 0.052 0.000 0.825 330 L CB 0.699 42.805 42.059 0.077 0.000 1.117 330 L HN 0.258 nan 8.230 nan 0.000 0.456 331 V N 1.525 121.525 119.914 0.143 0.000 2.656 331 V HA 0.257 4.377 4.120 0.000 0.000 0.307 331 V C -0.062 176.132 176.094 0.167 0.000 1.051 331 V CA -0.608 61.772 62.300 0.134 0.000 0.893 331 V CB 2.004 33.920 31.823 0.156 0.000 0.999 331 V HN 0.784 nan 8.190 nan 0.000 0.426 332 S N 4.533 120.327 115.700 0.157 0.000 2.474 332 S HA 0.555 5.025 4.470 0.000 0.000 0.276 332 S C -0.445 174.261 174.600 0.177 0.000 1.227 332 S CA -0.434 57.890 58.200 0.205 0.000 1.050 332 S CB -0.116 63.215 63.200 0.219 0.000 0.939 332 S HN 0.628 nan 8.310 nan 0.000 0.490 333 K N 3.974 124.479 120.400 0.176 0.000 2.512 333 K HA 0.512 4.833 4.320 0.000 0.000 0.263 333 K C -3.048 173.625 176.600 0.122 0.000 0.966 333 K CA -2.296 54.075 56.287 0.140 0.000 0.851 333 K CB 1.064 33.640 32.500 0.127 0.000 1.395 333 K HN 0.272 nan 8.250 nan 0.000 0.440 334 P HA 0.102 nan 4.420 nan 0.000 0.270 334 P C -1.668 175.676 177.300 0.074 0.000 1.223 334 P CA -0.775 62.374 63.100 0.082 0.000 0.785 334 P CB 0.232 31.973 31.700 0.069 0.000 0.923 335 P HA 0.087 nan 4.420 nan 0.000 0.249 335 P C -0.103 177.246 177.300 0.081 0.000 1.229 335 P CA 0.600 63.741 63.100 0.068 0.000 0.788 335 P CB 0.315 32.053 31.700 0.064 0.000 1.072 336 L N 0.873 122.152 121.223 0.093 0.000 2.599 336 L HA 0.426 4.767 4.340 0.000 0.000 0.241 336 L C -0.470 176.503 176.870 0.172 0.000 1.207 336 L CA -0.420 54.496 54.840 0.126 0.000 0.987 336 L CB -0.126 41.997 42.059 0.107 0.000 1.318 336 L HN -0.317 nan 8.230 nan 0.000 0.458 337 D N 1.735 122.213 120.400 0.130 0.000 2.619 337 D HA -0.013 4.628 4.640 0.000 0.000 0.224 337 D C 1.419 177.779 176.300 0.100 0.000 1.133 337 D CA 0.221 54.297 54.000 0.127 0.000 1.017 337 D CB 0.953 41.809 40.800 0.093 0.000 1.077 337 D HN 0.363 nan 8.370 nan 0.000 0.503 338 V N 2.817 122.820 119.914 0.148 0.000 2.594 338 V HA -0.179 3.941 4.120 0.000 0.000 0.253 338 V C 1.910 177.965 176.094 -0.065 0.000 1.069 338 V CA 1.822 64.167 62.300 0.074 0.000 1.082 338 V CB -0.108 31.831 31.823 0.194 0.000 0.680 338 V HN 0.453 nan 8.190 nan 0.000 0.469 339 E N -0.421 119.800 120.200 0.036 0.000 2.204 339 E HA -0.146 4.204 4.350 0.000 0.000 0.194 339 E C 1.988 178.538 176.600 -0.083 0.000 0.989 339 E CA 1.048 57.443 56.400 -0.009 0.000 0.824 339 E CB -0.133 29.689 29.700 0.204 0.000 0.756 339 E HN 0.699 nan 8.360 nan 0.000 0.477 340 L N 0.781 121.976 121.223 -0.046 0.000 2.456 340 L HA -0.100 4.240 4.340 0.000 0.000 0.224 340 L C 2.114 178.908 176.870 -0.127 0.000 1.148 340 L CA 0.187 54.993 54.840 -0.057 0.000 0.825 340 L CB -0.238 41.810 42.059 -0.017 0.000 0.937 340 L HN 0.253 nan 8.230 nan 0.000 0.450 341 L N -0.385 120.708 121.223 -0.217 0.000 2.265 341 L HA -0.196 4.144 4.340 0.000 0.000 0.215 341 L C 2.153 178.859 176.870 -0.273 0.000 1.117 341 L CA 1.312 55.972 54.840 -0.299 0.000 0.782 341 L CB -0.187 41.540 42.059 -0.553 0.000 0.914 341 L HN 0.324 nan 8.230 nan 0.000 0.441 342 I N -0.734 119.656 120.570 -0.299 0.000 3.883 342 I HA -0.120 4.050 4.170 0.000 0.000 0.326 342 I C 1.958 177.974 176.117 -0.168 0.000 1.283 342 I CA -0.074 61.021 61.300 -0.341 0.000 1.161 342 I CB 0.535 38.231 38.000 -0.507 0.000 1.012 342 I HN 0.177 nan 8.210 nan 0.000 0.421 343 L N 2.244 123.406 121.223 -0.102 0.000 2.079 343 L HA -0.075 4.265 4.340 0.000 0.000 0.210 343 L C -0.716 176.144 176.870 -0.017 0.000 1.081 343 L CA 2.390 57.204 54.840 -0.044 0.000 0.752 343 L CB -1.445 40.597 42.059 -0.027 0.000 0.896 343 L HN 0.080 nan 8.230 nan 0.000 0.433 344 P HA -0.162 nan 4.420 nan 0.000 0.215 344 P C 1.267 178.591 177.300 0.040 0.000 1.153 344 P CA 1.472 64.583 63.100 0.018 0.000 0.853 344 P CB 0.098 31.814 31.700 0.026 0.000 0.788 345 E N -1.061 119.174 120.200 0.058 0.000 2.107 345 E HA -0.129 4.221 4.350 0.000 0.000 0.191 345 E C 2.128 178.769 176.600 0.069 0.000 0.982 345 E CA 0.740 57.199 56.400 0.098 0.000 0.809 345 E CB -0.517 29.303 29.700 0.200 0.000 0.756 345 E HN 0.105 nan 8.360 nan 0.000 0.459 346 R N 0.464 120.983 120.500 0.032 0.000 2.120 346 R HA -0.077 4.263 4.340 0.000 0.000 0.234 346 R C 1.494 177.811 176.300 0.028 0.000 1.123 346 R CA 0.988 57.104 56.100 0.027 0.000 0.975 346 R CB -0.119 30.182 30.300 0.002 0.000 0.866 346 R HN 0.203 nan 8.270 nan 0.000 0.446 347 L N 1.173 122.412 121.223 0.025 0.000 2.591 347 L HA 0.096 4.436 4.340 0.000 0.000 0.228 347 L C 0.640 177.529 176.870 0.030 0.000 1.133 347 L CA -0.196 54.658 54.840 0.024 0.000 0.880 347 L CB 0.126 42.195 42.059 0.018 0.000 1.033 347 L HN 0.156 nan 8.230 nan 0.000 0.450 348 S N -0.807 114.917 115.700 0.040 0.000 2.610 348 S HA 0.272 4.742 4.470 0.000 0.000 0.273 348 S C -1.421 173.203 174.600 0.041 0.000 1.274 348 S CA -1.251 56.975 58.200 0.042 0.000 1.023 348 S CB 0.897 64.128 63.200 0.052 0.000 0.962 348 S HN -0.083 nan 8.310 nan 0.000 0.523 349 P HA -0.096 nan 4.420 nan 0.000 0.219 349 P C 1.350 178.674 177.300 0.040 0.000 1.146 349 P CA 1.503 64.624 63.100 0.034 0.000 0.808 349 P CB -0.296 31.422 31.700 0.028 0.000 0.779 350 A N 0.637 123.484 122.820 0.045 0.000 2.070 350 A HA 0.007 4.327 4.320 0.000 0.000 0.220 350 A C 2.423 180.045 177.584 0.062 0.000 1.159 350 A CA 1.583 53.651 52.037 0.051 0.000 0.656 350 A CB -1.324 17.708 19.000 0.054 0.000 0.800 350 A HN 0.230 nan 8.150 nan 0.000 0.453 351 A N 0.360 123.221 122.820 0.067 0.000 2.076 351 A HA -0.157 4.163 4.320 0.000 0.000 0.220 351 A C 1.944 179.576 177.584 0.080 0.000 1.160 351 A CA 1.579 53.663 52.037 0.079 0.000 0.653 351 A CB -0.391 18.652 19.000 0.071 0.000 0.801 351 A HN 0.585 nan 8.150 nan 0.000 0.455 352 K N -0.739 119.701 120.400 0.066 0.000 2.439 352 K HA -0.050 4.270 4.320 0.000 0.000 0.197 352 K C 1.063 177.702 176.600 0.065 0.000 1.041 352 K CA 1.082 57.411 56.287 0.069 0.000 0.970 352 K CB 0.087 32.620 32.500 0.054 0.000 0.773 352 K HN 0.315 nan 8.250 nan 0.000 0.479 353 E N 0.540 120.775 120.200 0.059 0.000 2.460 353 E HA 0.000 4.351 4.350 0.000 0.000 0.200 353 E C 0.098 176.729 176.600 0.053 0.000 1.011 353 E CA 0.352 56.781 56.400 0.048 0.000 0.912 353 E CB 0.744 30.468 29.700 0.039 0.000 0.953 353 E HN 0.325 nan 8.360 nan 0.000 0.494 354 T N -3.504 111.094 114.554 0.073 0.000 2.887 354 T HA 0.709 5.059 4.350 0.000 0.000 0.292 354 T C 0.103 174.868 174.700 0.108 0.000 1.087 354 T CA -0.907 61.242 62.100 0.082 0.000 1.009 354 T CB 1.854 70.777 68.868 0.091 0.000 1.203 354 T HN -0.210 nan 8.240 nan 0.000 0.518 355 S N -0.764 115.004 115.700 0.113 0.000 2.681 355 S HA 0.846 5.316 4.470 0.000 0.000 0.299 355 S C 0.060 174.764 174.600 0.173 0.000 1.113 355 S CA -0.735 57.550 58.200 0.140 0.000 1.013 355 S CB 1.372 64.642 63.200 0.117 0.000 1.076 355 S HN 1.187 nan 8.310 nan 0.000 0.534 356 G N 1.314 110.224 108.800 0.184 0.000 2.666 356 G HA2 0.654 4.614 3.960 0.000 0.000 0.303 356 G HA3 0.654 4.614 3.960 0.000 0.000 0.303 356 G C -1.086 173.918 174.900 0.173 0.000 1.412 356 G CA -0.732 44.498 45.100 0.217 0.000 0.979 356 G HN 0.686 nan 8.290 nan 0.000 0.507 357 L N 0.268 121.587 121.223 0.160 0.000 2.350 357 L HA 0.944 5.284 4.340 0.000 0.000 0.260 357 L C -1.480 175.349 176.870 -0.067 0.000 1.015 357 L CA -1.482 53.384 54.840 0.044 0.000 0.821 357 L CB 2.382 44.447 42.059 0.010 0.000 1.370 357 L HN 0.425 nan 8.230 nan 0.000 0.416 358 L N 2.232 123.293 121.223 -0.269 0.000 2.356 358 L HA 0.624 4.964 4.340 0.000 0.000 0.277 358 L C -1.342 175.240 176.870 -0.480 0.000 0.996 358 L CA -0.253 54.248 54.840 -0.565 0.000 0.822 358 L CB 1.703 43.203 42.059 -0.932 0.000 1.256 358 L HN 0.593 nan 8.230 nan 0.000 0.413 359 L N 6.503 127.447 121.223 -0.466 0.000 2.296 359 L HA 0.571 4.912 4.340 0.000 0.000 0.286 359 L C -0.601 175.959 176.870 -0.516 0.000 1.023 359 L CA -0.445 54.066 54.840 -0.549 0.000 0.812 359 L CB 1.535 43.362 42.059 -0.387 0.000 1.223 359 L HN 0.563 nan 8.230 nan 0.000 0.421 360 I N 3.667 123.873 120.570 -0.607 0.000 2.509 360 I HA 0.537 4.707 4.170 0.000 0.000 0.293 360 I C -0.300 175.556 176.117 -0.434 0.000 1.020 360 I CA -0.576 60.434 61.300 -0.483 0.000 1.088 360 I CB 2.216 39.901 38.000 -0.524 0.000 1.267 360 I HN 0.586 nan 8.210 nan 0.000 0.430 361 R N 4.617 124.940 120.500 -0.295 0.000 2.510 361 R HA 0.323 4.663 4.340 0.000 0.000 0.287 361 R C -1.580 174.637 176.300 -0.138 0.000 1.084 361 R CA -0.649 55.348 56.100 -0.171 0.000 0.934 361 R CB 1.242 31.605 30.300 0.106 0.000 1.201 361 R HN 0.445 nan 8.270 nan 0.000 0.431 362 Y N 3.713 124.002 120.300 -0.017 0.000 2.971 362 Y HA 0.215 4.765 4.550 0.000 0.000 0.384 362 Y C 0.091 175.979 175.900 -0.019 0.000 1.166 362 Y CA -0.074 58.001 58.100 -0.041 0.000 1.973 362 Y CB -0.170 38.243 38.460 -0.078 0.000 2.082 362 Y HN 0.319 nan 8.280 nan 0.000 0.420 363 K N 0.592 121.071 120.400 0.132 0.000 2.579 363 K HA 0.174 4.495 4.320 0.000 0.000 0.283 363 K C -1.259 175.404 176.600 0.105 0.000 1.069 363 K CA -0.500 55.849 56.287 0.103 0.000 0.977 363 K CB 0.756 33.303 32.500 0.079 0.000 1.334 363 K HN 0.079 nan 8.250 nan 0.000 0.462 364 E N 3.417 123.695 120.200 0.130 0.000 2.765 364 E HA -0.095 4.256 4.350 0.000 0.000 0.256 364 E C -0.297 176.361 176.600 0.095 0.000 0.935 364 E CA 1.096 57.580 56.400 0.139 0.000 0.954 364 E CB 0.314 30.114 29.700 0.168 0.000 0.908 364 E HN 0.395 nan 8.360 nan 0.000 0.500 365 M N 3.980 123.635 119.600 0.092 0.000 2.084 365 M HA 0.309 4.789 4.480 0.000 0.000 0.351 365 M C -0.456 175.877 176.300 0.054 0.000 1.240 365 M CA 0.042 55.378 55.300 0.060 0.000 1.083 365 M CB 0.498 33.138 32.600 0.068 0.000 1.593 365 M HN 0.305 nan 8.290 nan 0.000 0.463 366 I N 1.826 122.415 120.570 0.033 0.000 2.418 366 I HA 0.368 4.538 4.170 0.000 0.000 0.287 366 I C 0.857 176.985 176.117 0.018 0.000 1.008 366 I CA -0.328 60.990 61.300 0.031 0.000 1.104 366 I CB 1.993 40.007 38.000 0.023 0.000 1.264 366 I HN 0.868 nan 8.210 nan 0.000 0.438 367 G N 4.292 113.106 108.800 0.025 0.000 3.159 367 G HA2 0.057 4.017 3.960 0.000 0.000 0.232 367 G HA3 0.057 4.017 3.960 0.000 0.000 0.232 367 G C 0.269 175.196 174.900 0.045 0.000 1.116 367 G CA -0.044 45.069 45.100 0.022 0.000 0.767 367 G HN 0.625 nan 8.290 nan 0.000 0.547 368 E N 0.405 120.635 120.200 0.050 0.000 2.133 368 E HA 0.349 4.699 4.350 0.000 0.000 0.274 368 E C -1.224 175.424 176.600 0.081 0.000 0.930 368 E CA -1.057 55.386 56.400 0.070 0.000 0.770 368 E CB 1.009 30.742 29.700 0.055 0.000 1.104 368 E HN 0.139 nan 8.360 nan 0.000 0.403 369 Y N 4.060 124.369 120.300 0.015 0.000 2.511 369 Y HA 0.137 4.688 4.550 0.000 0.000 0.332 369 Y C -0.389 175.523 175.900 0.020 0.000 1.177 369 Y CA 0.746 58.855 58.100 0.016 0.000 1.422 369 Y CB 0.760 39.227 38.460 0.012 0.000 1.271 369 Y HN 0.503 nan 8.280 nan 0.000 0.550 370 D N 4.801 124.784 120.400 -0.694 0.000 2.977 370 D HA 0.110 4.750 4.640 0.000 0.000 0.220 370 D C 0.006 175.991 176.300 -0.525 0.000 1.267 370 D CA -0.347 53.420 54.000 -0.388 0.000 0.884 370 D CB 1.572 42.274 40.800 -0.164 0.000 1.667 370 D HN 0.801 nan 8.370 nan 0.000 0.536 371 E N 1.839 121.912 120.200 -0.211 0.000 2.012 371 E HA -0.210 4.141 4.350 0.000 0.000 0.197 371 E C 1.190 177.740 176.600 -0.084 0.000 1.007 371 E CA 1.375 57.721 56.400 -0.089 0.000 0.816 371 E CB 0.249 29.979 29.700 0.049 0.000 0.762 371 E HN 0.563 nan 8.360 nan 0.000 0.451 372 E N 0.418 120.590 120.200 -0.046 0.000 2.086 372 E HA -0.242 4.108 4.350 0.000 0.000 0.205 372 E C 2.074 178.654 176.600 -0.032 0.000 1.027 372 E CA 1.438 57.827 56.400 -0.020 0.000 0.830 372 E CB -0.144 29.554 29.700 -0.003 0.000 0.751 372 E HN 0.229 nan 8.360 nan 0.000 0.456 373 I N -0.598 119.930 120.570 -0.071 0.000 2.394 373 I HA -0.062 4.108 4.170 0.000 0.000 0.251 373 I C 1.999 178.053 176.117 -0.104 0.000 1.136 373 I CA 1.417 62.675 61.300 -0.070 0.000 1.425 373 I CB -1.576 36.375 38.000 -0.082 0.000 1.079 373 I HN 0.362 nan 8.210 nan 0.000 0.425 374 G N 0.757 109.444 108.800 -0.189 0.000 2.166 374 G HA2 -0.142 3.818 3.960 0.000 0.000 0.260 374 G HA3 -0.142 3.818 3.960 0.000 0.000 0.260 374 G C 0.611 175.418 174.900 -0.155 0.000 0.986 374 G CA 0.435 45.433 45.100 -0.171 0.000 0.683 374 G HN 0.901 nan 8.290 nan 0.000 0.527 375 G N -2.563 106.103 108.800 -0.224 0.000 2.547 375 G HA2 0.631 4.592 3.960 0.000 0.000 0.291 375 G HA3 0.631 4.592 3.960 0.000 0.000 0.291 375 G C -1.507 173.359 174.900 -0.057 0.000 1.471 375 G CA 0.168 45.226 45.100 -0.070 0.000 0.798 375 G HN 1.059 nan 8.290 nan 0.000 0.504 376 V N 0.736 120.674 119.914 0.040 0.000 2.715 376 V HA 0.527 4.647 4.120 0.000 0.000 0.310 376 V C -0.746 175.353 176.094 0.008 0.000 1.054 376 V CA -0.823 61.499 62.300 0.036 0.000 0.928 376 V CB 2.056 33.941 31.823 0.103 0.000 1.007 376 V HN 0.763 nan 8.190 nan 0.000 0.437 377 D N 2.795 123.186 120.400 -0.015 0.000 2.294 377 D HA 0.455 5.096 4.640 0.000 0.000 0.250 377 D C -0.653 175.602 176.300 -0.074 0.000 1.058 377 D CA -0.299 53.673 54.000 -0.046 0.000 0.950 377 D CB 1.758 42.527 40.800 -0.052 0.000 1.158 377 D HN 0.560 nan 8.370 nan 0.000 0.453 378 E N 0.280 120.412 120.200 -0.114 0.000 2.248 378 E HA 0.476 4.826 4.350 0.000 0.000 0.267 378 E C -1.119 175.309 176.600 -0.286 0.000 0.877 378 E CA -0.870 55.391 56.400 -0.232 0.000 0.759 378 E CB 2.682 32.275 29.700 -0.179 0.000 1.182 378 E HN 0.030 nan 8.360 nan 0.000 0.418 379 V N 3.592 123.277 119.914 -0.382 0.000 2.419 379 V HA 0.259 4.379 4.120 0.000 0.000 0.287 379 V C -1.397 174.527 176.094 -0.282 0.000 1.017 379 V CA -0.824 61.336 62.300 -0.234 0.000 0.844 379 V CB 0.287 32.065 31.823 -0.075 0.000 1.011 379 V HN 0.592 nan 8.190 nan 0.000 0.429 380 Y N 3.216 123.516 120.300 0.001 0.000 2.330 380 Y HA 0.641 5.191 4.550 0.000 0.000 0.336 380 Y C 0.152 176.074 175.900 0.037 0.000 1.036 380 Y CA -0.848 57.261 58.100 0.014 0.000 1.125 380 Y CB 1.953 40.412 38.460 -0.002 0.000 1.194 380 Y HN 0.355 nan 8.280 nan 0.000 0.469 381 V N 4.083 124.096 119.914 0.166 0.000 2.407 381 V HA 0.221 4.341 4.120 0.000 0.000 0.291 381 V C -0.299 175.854 176.094 0.097 0.000 1.018 381 V CA -1.243 61.126 62.300 0.115 0.000 0.842 381 V CB 1.085 32.954 31.823 0.077 0.000 0.996 381 V HN 0.918 nan 8.190 nan 0.000 0.426 382 N N 4.203 122.949 118.700 0.076 0.000 2.721 382 N HA -0.223 4.517 4.740 0.000 0.000 0.249 382 N C 1.231 176.775 175.510 0.055 0.000 1.072 382 N CA 1.723 54.800 53.050 0.046 0.000 0.710 382 N CB -1.030 37.475 38.487 0.030 0.000 0.993 382 N HN 1.484 nan 8.380 nan 0.000 0.547 383 G N -3.207 105.646 108.800 0.088 0.000 2.199 383 G HA2 -0.318 3.642 3.960 0.000 0.000 0.254 383 G HA3 -0.318 3.642 3.960 0.000 0.000 0.254 383 G C 0.010 175.044 174.900 0.224 0.000 0.982 383 G CA 0.314 45.466 45.100 0.087 0.000 0.632 383 G HN 0.511 nan 8.290 nan 0.000 0.529 384 V N 1.426 121.463 119.914 0.204 0.000 2.394 384 V HA 0.489 4.609 4.120 0.000 0.000 0.282 384 V C 0.438 176.600 176.094 0.115 0.000 1.031 384 V CA -0.889 61.508 62.300 0.162 0.000 0.881 384 V CB 1.580 33.448 31.823 0.075 0.000 0.982 384 V HN 0.386 nan 8.190 nan 0.000 0.451 385 N N 4.116 122.822 118.700 0.010 0.000 2.420 385 N HA 0.089 4.829 4.740 0.000 0.000 0.262 385 N C 0.573 175.996 175.510 -0.144 0.000 1.144 385 N CA -0.146 52.722 53.050 -0.303 0.000 0.952 385 N CB 1.565 39.799 38.487 -0.421 0.000 1.081 385 N HN 0.526 nan 8.380 nan 0.000 0.480 386 V N 1.032 120.872 119.914 -0.123 0.000 3.647 386 V HA 0.211 4.331 4.120 0.000 0.000 0.279 386 V C 0.979 177.042 176.094 -0.052 0.000 1.314 386 V CA -0.351 61.915 62.300 -0.057 0.000 1.125 386 V CB -0.655 31.157 31.823 -0.019 0.000 0.907 386 V HN 0.668 nan 8.190 nan 0.000 0.434 387 C N 3.969 123.215 119.300 -0.090 0.000 2.379 387 C HA 0.629 5.090 4.460 0.000 0.000 0.476 387 C C 1.181 176.140 174.990 -0.051 0.000 1.068 387 C CA 0.255 59.238 59.018 -0.058 0.000 1.406 387 C CB -1.991 25.703 27.740 -0.077 0.000 1.496 387 C HN 0.778 nan 8.230 nan 0.000 0.551 388 T N -0.636 113.903 114.554 -0.026 0.000 2.912 388 T HA 0.271 4.621 4.350 0.000 0.000 0.280 388 T C 1.110 175.817 174.700 0.011 0.000 0.989 388 T CA -0.152 61.941 62.100 -0.011 0.000 0.995 388 T CB 1.110 69.974 68.868 -0.007 0.000 1.077 388 T HN 0.681 nan 8.240 nan 0.000 0.531 389 E N 0.194 120.405 120.200 0.020 0.000 2.204 389 E HA -0.206 4.145 4.350 0.000 0.000 0.195 389 E C 2.158 178.778 176.600 0.032 0.000 0.990 389 E CA 0.867 57.286 56.400 0.032 0.000 0.821 389 E CB -0.031 29.692 29.700 0.038 0.000 0.750 389 E HN 0.693 nan 8.360 nan 0.000 0.477 390 R N -0.107 120.409 120.500 0.027 0.000 2.100 390 R HA 0.109 4.449 4.340 0.000 0.000 0.220 390 R C 2.162 178.483 176.300 0.035 0.000 1.091 390 R CA 0.953 57.070 56.100 0.030 0.000 0.986 390 R CB 0.067 30.381 30.300 0.024 0.000 0.888 390 R HN 0.268 nan 8.270 nan 0.000 0.444 391 I N -0.869 119.719 120.570 0.030 0.000 2.703 391 I HA -0.076 4.094 4.170 0.000 0.000 0.259 391 I C 0.378 176.524 176.117 0.048 0.000 1.151 391 I CA 0.291 61.613 61.300 0.037 0.000 1.470 391 I CB 0.666 38.679 38.000 0.022 0.000 1.112 391 I HN 0.129 nan 8.210 nan 0.000 0.437 392 C N 2.741 122.066 119.300 0.042 0.000 3.276 392 C HA 0.358 4.818 4.460 0.000 0.000 0.226 392 C C -2.129 172.892 174.990 0.052 0.000 1.502 392 C CA -1.379 57.670 59.018 0.051 0.000 1.488 392 C CB -0.803 26.962 27.740 0.042 0.000 2.014 392 C HN 0.170 nan 8.230 nan 0.000 0.492 393 P HA 0.218 nan 4.420 nan 0.000 0.274 393 P C 1.052 178.387 177.300 0.058 0.000 1.237 393 P CA 0.137 63.268 63.100 0.052 0.000 0.793 393 P CB 1.116 32.846 31.700 0.049 0.000 0.977 394 I N 0.556 121.157 120.570 0.052 0.000 2.185 394 I HA -0.272 3.899 4.170 0.000 0.000 0.246 394 I C 2.165 178.323 176.117 0.068 0.000 1.088 394 I CA 1.671 63.006 61.300 0.058 0.000 1.347 394 I CB -0.584 37.441 38.000 0.043 0.000 1.041 394 I HN 0.384 nan 8.210 nan 0.000 0.415 395 E N 0.621 120.854 120.200 0.055 0.000 2.265 395 E HA -0.154 4.197 4.350 0.000 0.000 0.196 395 E C 2.115 178.743 176.600 0.045 0.000 0.996 395 E CA 0.770 57.199 56.400 0.048 0.000 0.832 395 E CB -0.218 29.505 29.700 0.037 0.000 0.756 395 E HN 0.466 nan 8.360 nan 0.000 0.491 396 R N 0.107 120.643 120.500 0.060 0.000 2.275 396 R HA 0.125 4.465 4.340 0.000 0.000 0.199 396 R C 0.782 177.141 176.300 0.099 0.000 0.989 396 R CA 0.621 56.759 56.100 0.063 0.000 1.016 396 R CB -0.190 30.158 30.300 0.080 0.000 0.918 396 R HN 0.050 nan 8.270 nan 0.000 0.473 397 A N 1.235 124.138 122.820 0.138 0.000 2.415 397 A HA -0.150 4.170 4.320 0.000 0.000 0.292 397 A C 0.355 178.132 177.584 0.323 0.000 1.452 397 A CA 0.503 52.688 52.037 0.246 0.000 0.750 397 A CB -1.950 17.247 19.000 0.328 0.000 1.099 397 A HN 0.056 nan 8.150 nan 0.000 0.391 398 V N 0.948 120.994 119.914 0.221 0.000 2.450 398 V HA 0.047 4.167 4.120 0.000 0.000 0.281 398 V C 1.292 177.504 176.094 0.196 0.000 1.019 398 V CA 1.171 63.596 62.300 0.208 0.000 1.062 398 V CB 0.535 32.438 31.823 0.133 0.000 0.979 398 V HN 0.697 nan 8.190 nan 0.000 0.477 399 N N 2.632 121.464 118.700 0.220 0.000 2.332 399 N HA 0.228 4.968 4.740 0.000 0.000 0.190 399 N C 0.629 176.146 175.510 0.012 0.000 1.117 399 N CA 0.614 53.742 53.050 0.130 0.000 0.883 399 N CB 0.895 39.482 38.487 0.166 0.000 1.089 399 N HN 0.761 nan 8.380 nan 0.000 0.480 400 G N 0.323 109.137 108.800 0.023 0.000 2.683 400 G HA2 0.549 4.509 3.960 0.000 0.000 0.299 400 G HA3 0.549 4.509 3.960 0.000 0.000 0.299 400 G C -1.827 172.994 174.900 -0.131 0.000 1.432 400 G CA -0.281 44.735 45.100 -0.140 0.000 0.978 400 G HN 0.046 nan 8.290 nan 0.000 0.513 401 L N 2.644 123.736 121.223 -0.219 0.000 2.319 401 L HA 0.727 5.068 4.340 0.000 0.000 0.281 401 L C -1.277 175.470 176.870 -0.204 0.000 1.005 401 L CA -1.363 53.403 54.840 -0.124 0.000 0.828 401 L CB 0.790 42.823 42.059 -0.043 0.000 1.227 401 L HN 0.515 nan 8.230 nan 0.000 0.415 402 W N 5.180 126.389 121.300 -0.150 0.000 2.316 402 W HA 0.599 5.259 4.660 0.000 0.000 0.311 402 W C -0.487 176.059 176.519 0.046 0.000 1.217 402 W CA -0.439 56.847 57.345 -0.098 0.000 1.199 402 W CB 1.377 30.665 29.460 -0.285 0.000 1.202 402 W HN 0.212 nan 8.180 nan 0.000 0.528 403 V N 6.538 126.638 119.914 0.311 0.000 2.376 403 V HA 0.569 4.689 4.120 0.000 0.000 0.287 403 V C -0.530 175.784 176.094 0.366 0.000 1.015 403 V CA -0.802 61.631 62.300 0.222 0.000 0.834 403 V CB -0.083 31.798 31.823 0.097 0.000 1.001 403 V HN 0.378 nan 8.190 nan 0.000 0.428 404 F N 1.285 121.289 119.950 0.091 0.000 2.817 404 F HA 0.632 5.159 4.527 0.001 0.000 0.317 404 F C -0.920 174.926 175.800 0.077 0.000 1.168 404 F CA -1.537 56.520 58.000 0.094 0.000 0.911 404 F CB 1.326 40.402 39.000 0.127 0.000 1.337 404 F HN 0.314 nan 8.300 nan 0.000 0.464 405 D N 2.283 122.730 120.400 0.079 0.000 2.470 405 D HA 0.101 4.742 4.640 0.000 0.000 0.226 405 D C 0.023 176.287 176.300 -0.060 0.000 1.196 405 D CA -0.128 53.848 54.000 -0.041 0.000 0.979 405 D CB 0.277 41.112 40.800 0.059 0.000 1.059 405 D HN 0.665 nan 8.370 nan 0.000 0.515 406 R N 2.532 122.810 120.500 -0.370 0.000 2.502 406 R HA 0.192 4.532 4.340 0.000 0.000 0.292 406 R C 1.033 177.335 176.300 0.004 0.000 0.998 406 R CA 1.242 57.235 56.100 -0.179 0.000 1.056 406 R CB -0.166 29.973 30.300 -0.268 0.000 0.939 406 R HN 0.684 nan 8.270 nan 0.000 0.411 407 G N 2.899 111.756 108.800 0.096 0.000 2.199 407 G HA2 -0.341 3.620 3.960 0.000 0.000 0.254 407 G HA3 -0.341 3.620 3.960 0.000 0.000 0.254 407 G C 0.562 175.505 174.900 0.072 0.000 0.982 407 G CA 0.456 45.598 45.100 0.071 0.000 0.632 407 G HN 1.661 nan 8.290 nan 0.000 0.529 408 A N -0.200 122.674 122.820 0.090 0.000 2.704 408 A HA -0.067 4.254 4.320 0.000 0.000 0.299 408 A C 1.307 178.923 177.584 0.053 0.000 1.507 408 A CA 2.288 54.374 52.037 0.083 0.000 0.776 408 A CB -1.704 17.349 19.000 0.089 0.000 1.027 408 A HN 1.968 nan 8.150 nan 0.000 0.475 409 D N -1.670 118.753 120.400 0.038 0.000 2.369 409 D HA 0.381 5.021 4.640 0.000 0.000 0.211 409 D C 1.323 177.636 176.300 0.021 0.000 1.077 409 D CA 0.753 54.769 54.000 0.026 0.000 0.842 409 D CB -0.607 40.204 40.800 0.020 0.000 0.947 409 D HN 1.711 nan 8.370 nan 0.000 0.509 410 G N 0.406 109.220 108.800 0.023 0.000 2.155 410 G HA2 -0.309 3.651 3.960 0.000 0.000 0.257 410 G HA3 -0.309 3.651 3.960 0.000 0.000 0.257 410 G C -0.012 174.894 174.900 0.010 0.000 0.983 410 G CA 0.268 45.379 45.100 0.019 0.000 0.676 410 G HN 0.455 nan 8.290 nan 0.000 0.528 411 K N 0.378 120.781 120.400 0.004 0.000 2.345 411 K HA 0.517 4.838 4.320 0.000 0.000 0.255 411 K C -0.402 176.190 176.600 -0.014 0.000 0.934 411 K CA -0.564 55.722 56.287 -0.002 0.000 0.801 411 K CB 1.775 34.274 32.500 -0.001 0.000 1.137 411 K HN 0.044 nan 8.250 nan 0.000 0.424 412 S N 2.519 118.211 115.700 -0.013 0.000 3.483 412 S HA 0.088 4.558 4.470 0.000 0.000 0.274 412 S C -0.633 173.954 174.600 -0.022 0.000 1.289 412 S CA -0.509 57.677 58.200 -0.022 0.000 0.938 412 S CB -0.202 62.991 63.200 -0.012 0.000 1.453 412 S HN 0.389 nan 8.310 nan 0.000 0.494 413 D N 3.074 123.456 120.400 -0.030 0.000 2.563 413 D HA 0.141 4.781 4.640 0.000 0.000 0.222 413 D C 1.189 177.473 176.300 -0.027 0.000 1.145 413 D CA -0.148 53.838 54.000 -0.022 0.000 1.001 413 D CB 0.491 41.279 40.800 -0.019 0.000 1.049 413 D HN 0.386 nan 8.370 nan 0.000 0.515 414 L N 0.407 121.617 121.223 -0.021 0.000 2.191 414 L HA -0.143 4.197 4.340 0.000 0.000 0.212 414 L C 1.309 178.173 176.870 -0.010 0.000 1.103 414 L CA 1.024 55.852 54.840 -0.019 0.000 0.769 414 L CB 0.127 42.178 42.059 -0.013 0.000 0.908 414 L HN 0.075 nan 8.230 nan 0.000 0.438 415 D N -0.055 120.342 120.400 -0.004 0.000 2.355 415 D HA 0.003 4.643 4.640 0.000 0.000 0.218 415 D C 0.576 176.880 176.300 0.005 0.000 1.004 415 D CA 0.541 54.542 54.000 0.003 0.000 0.880 415 D CB 0.129 40.932 40.800 0.005 0.000 0.911 415 D HN 0.263 nan 8.370 nan 0.000 0.528 416 R N 1.782 122.283 120.500 0.001 0.000 2.215 416 R HA 0.190 4.530 4.340 0.000 0.000 0.336 416 R C 0.286 176.592 176.300 0.010 0.000 0.996 416 R CA -0.419 55.685 56.100 0.006 0.000 0.847 416 R CB 1.187 31.488 30.300 0.002 0.000 1.127 416 R HN 0.153 nan 8.270 nan 0.000 0.465 417 E N 1.885 122.099 120.200 0.023 0.000 2.415 417 E HA 0.011 4.362 4.350 0.000 0.000 0.262 417 E C -0.637 175.994 176.600 0.052 0.000 1.038 417 E CA -0.454 55.969 56.400 0.040 0.000 0.921 417 E CB 0.826 30.556 29.700 0.051 0.000 0.950 417 E HN 0.170 nan 8.360 nan 0.000 0.438 418 V N 5.820 125.783 119.914 0.082 0.000 2.276 418 V HA -0.038 4.083 4.120 0.000 0.000 0.249 418 V C 1.263 177.459 176.094 0.171 0.000 1.160 418 V CA -0.263 62.117 62.300 0.134 0.000 1.042 418 V CB 0.472 32.416 31.823 0.202 0.000 1.224 418 V HN 0.761 nan 8.190 nan 0.000 0.496 419 V N 5.688 125.664 119.914 0.102 0.000 2.370 419 V HA -0.298 3.823 4.120 0.000 0.000 0.252 419 V C 2.684 178.806 176.094 0.046 0.000 1.068 419 V CA 2.712 65.056 62.300 0.073 0.000 1.061 419 V CB -0.784 31.065 31.823 0.043 0.000 0.656 419 V HN 1.005 nan 8.190 nan 0.000 0.455 420 R N -0.638 119.864 120.500 0.003 0.000 2.159 420 R HA -0.196 4.144 4.340 0.000 0.000 0.237 420 R C 1.866 178.005 176.300 -0.269 0.000 1.131 420 R CA 2.123 58.128 56.100 -0.158 0.000 0.982 420 R CB -0.619 29.518 30.300 -0.271 0.000 0.868 420 R HN 0.526 nan 8.270 nan 0.000 0.453 421 Y N 1.689 122.010 120.300 0.036 0.000 2.466 421 Y HA 0.093 4.643 4.550 0.000 0.000 0.272 421 Y C 2.396 178.339 175.900 0.072 0.000 1.169 421 Y CA 0.567 58.697 58.100 0.049 0.000 1.285 421 Y CB 0.534 39.042 38.460 0.080 0.000 1.078 421 Y HN 0.256 nan 8.280 nan 0.000 0.523 422 S N -0.474 115.317 115.700 0.152 0.000 2.474 422 S HA -0.117 4.353 4.470 0.000 0.000 0.235 422 S C 1.471 176.128 174.600 0.094 0.000 0.997 422 S CA 0.994 59.265 58.200 0.118 0.000 0.949 422 S CB -0.526 62.723 63.200 0.082 0.000 0.766 422 S HN 0.552 nan 8.310 nan 0.000 0.517 423 I N 0.701 121.319 120.570 0.080 0.000 3.883 423 I HA 0.194 4.364 4.170 0.000 0.000 0.326 423 I C 0.124 176.314 176.117 0.120 0.000 1.283 423 I CA 0.044 61.390 61.300 0.078 0.000 1.161 423 I CB 0.058 38.086 38.000 0.047 0.000 1.012 423 I HN 0.252 nan 8.210 nan 0.000 0.421 424 M N 3.258 122.952 119.600 0.157 0.000 2.209 424 M HA 0.344 4.824 4.480 0.000 0.000 0.355 424 M C -2.350 174.071 176.300 0.203 0.000 1.171 424 M CA -2.479 52.952 55.300 0.219 0.000 1.069 424 M CB 0.265 33.041 32.600 0.294 0.000 1.622 424 M HN -0.211 nan 8.290 nan 0.000 0.459 425 P HA 0.153 nan 4.420 nan 0.000 0.271 425 P C -0.410 176.987 177.300 0.161 0.000 1.216 425 P CA -0.041 63.081 63.100 0.035 0.000 0.771 425 P CB 0.364 32.088 31.700 0.041 0.000 0.864 426 F N -1.708 118.368 119.950 0.209 0.000 3.006 426 F HA -0.247 4.280 4.527 0.001 0.000 0.289 426 F C 0.623 176.532 175.800 0.182 0.000 0.772 426 F CA 1.046 59.166 58.000 0.200 0.000 1.162 426 F CB -2.155 36.982 39.000 0.228 0.000 1.382 426 F HN 0.316 nan 8.300 nan 0.000 0.406 427 M N -1.224 118.557 119.600 0.301 0.000 2.644 427 M HA 0.659 5.139 4.480 0.000 0.000 0.304 427 M C 0.180 176.626 176.300 0.244 0.000 1.215 427 M CA -0.634 54.838 55.300 0.287 0.000 0.871 427 M CB 2.594 35.432 32.600 0.397 0.000 1.740 427 M HN -0.006 nan 8.290 nan 0.000 0.464 428 S N 0.078 115.901 115.700 0.205 0.000 2.752 428 S HA 0.972 5.442 4.470 0.000 0.000 0.284 428 S C -2.114 172.534 174.600 0.080 0.000 1.189 428 S CA -0.420 57.875 58.200 0.157 0.000 0.835 428 S CB 2.047 65.318 63.200 0.118 0.000 1.192 428 S HN 0.891 nan 8.310 nan 0.000 0.506 429 A N 0.246 123.098 122.820 0.054 0.000 2.594 429 A HA 0.901 5.221 4.320 0.000 0.000 0.295 429 A C -1.185 176.411 177.584 0.020 0.000 1.071 429 A CA -0.124 51.922 52.037 0.015 0.000 0.685 429 A CB 1.218 20.155 19.000 -0.105 0.000 1.285 429 A HN 1.580 nan 8.150 nan 0.000 0.405 430 A N 0.812 123.625 122.820 -0.010 0.000 2.356 430 A HA 0.651 4.972 4.320 0.000 0.000 0.310 430 A C -1.145 176.341 177.584 -0.163 0.000 1.075 430 A CA -0.390 51.614 52.037 -0.055 0.000 0.746 430 A CB 1.079 20.067 19.000 -0.020 0.000 1.221 430 A HN 0.778 nan 8.150 nan 0.000 0.443 431 D N 2.255 122.550 120.400 -0.175 0.000 2.453 431 D HA 0.398 5.039 4.640 0.000 0.000 0.223 431 D C -1.091 175.128 176.300 -0.135 0.000 1.183 431 D CA 0.332 54.188 54.000 -0.240 0.000 0.933 431 D CB 0.116 40.811 40.800 -0.174 0.000 1.038 431 D HN 0.320 nan 8.370 nan 0.000 0.513 432 L N 4.558 125.710 121.223 -0.118 0.000 2.409 432 L HA 0.412 4.752 4.340 0.000 0.000 0.272 432 L C -1.173 175.688 176.870 -0.015 0.000 0.980 432 L CA -0.862 53.953 54.840 -0.043 0.000 0.826 432 L CB 2.073 44.124 42.059 -0.012 0.000 1.268 432 L HN 0.028 nan 8.230 nan 0.000 0.407 433 V N 5.978 125.891 119.914 -0.002 0.000 2.470 433 V HA 0.262 4.383 4.120 0.000 0.000 0.276 433 V C -0.171 175.940 176.094 0.028 0.000 1.040 433 V CA -0.220 62.091 62.300 0.019 0.000 1.008 433 V CB 1.215 33.047 31.823 0.015 0.000 0.990 433 V HN 0.517 nan 8.190 nan 0.000 0.477 434 V N 8.387 128.327 119.914 0.044 0.000 2.304 434 V HA 0.301 4.421 4.120 0.000 0.000 0.278 434 V C -2.324 173.792 176.094 0.037 0.000 1.018 434 V CA -1.926 60.398 62.300 0.041 0.000 0.814 434 V CB 1.494 33.351 31.823 0.056 0.000 1.021 434 V HN 0.735 nan 8.190 nan 0.000 0.440 435 P HA 0.087 nan 4.420 nan 0.000 0.264 435 P C 0.092 177.394 177.300 0.004 0.000 1.193 435 P CA 0.133 63.241 63.100 0.013 0.000 0.763 435 P CB 0.681 32.383 31.700 0.002 0.000 0.810 436 A N 3.888 126.714 122.820 0.011 0.000 3.074 436 A HA 0.181 4.501 4.320 0.000 0.000 0.251 436 A C 0.255 177.815 177.584 -0.039 0.000 1.695 436 A CA -0.014 52.021 52.037 -0.004 0.000 1.343 436 A CB -0.927 18.093 19.000 0.033 0.000 1.078 436 A HN 0.590 nan 8.150 nan 0.000 0.644 437 E N -0.398 119.768 120.200 -0.057 0.000 2.308 437 E HA 0.593 4.943 4.350 0.000 0.000 0.275 437 E C 0.434 176.978 176.600 -0.094 0.000 0.890 437 E CA -0.615 55.741 56.400 -0.073 0.000 0.754 437 E CB 1.076 30.748 29.700 -0.047 0.000 1.207 437 E HN 0.996 nan 8.360 nan 0.000 0.426 438 G N 2.886 111.614 108.800 -0.121 0.000 2.536 438 G HA2 -0.318 3.642 3.960 0.000 0.000 0.280 438 G HA3 -0.318 3.642 3.960 0.000 0.000 0.280 438 G C 0.139 174.942 174.900 -0.162 0.000 1.152 438 G CA 0.530 45.554 45.100 -0.127 0.000 0.970 438 G HN 1.300 nan 8.290 nan 0.000 0.549 439 T N -1.601 112.876 114.554 -0.127 0.000 2.926 439 T HA 0.763 5.113 4.350 0.000 0.000 0.289 439 T C -0.133 174.511 174.700 -0.093 0.000 1.054 439 T CA -0.475 61.544 62.100 -0.134 0.000 1.015 439 T CB 2.171 70.971 68.868 -0.113 0.000 1.167 439 T HN 0.999 nan 8.240 nan 0.000 0.526 440 I N 1.421 121.939 120.570 -0.087 0.000 2.433 440 I HA 0.481 4.652 4.170 0.000 0.000 0.292 440 I C 0.038 176.142 176.117 -0.022 0.000 1.001 440 I CA -0.925 60.348 61.300 -0.044 0.000 1.119 440 I CB 2.126 40.104 38.000 -0.037 0.000 1.289 440 I HN 0.706 nan 8.210 nan 0.000 0.438 441 S N 7.007 122.711 115.700 0.007 0.000 2.462 441 S HA 0.720 5.191 4.470 0.000 0.000 0.294 441 S C -0.736 173.914 174.600 0.083 0.000 1.144 441 S CA -0.422 57.798 58.200 0.035 0.000 1.088 441 S CB 0.431 63.642 63.200 0.018 0.000 1.009 441 S HN 0.443 nan 8.310 nan 0.000 0.484 442 I N 3.550 124.205 120.570 0.141 0.000 2.499 442 I HA 0.669 4.839 4.170 0.000 0.000 0.288 442 I C -0.359 175.905 176.117 0.245 0.000 1.048 442 I CA -0.714 60.713 61.300 0.211 0.000 1.062 442 I CB 1.983 40.128 38.000 0.241 0.000 1.238 442 I HN 0.743 nan 8.210 nan 0.000 0.426 443 A N 5.314 128.250 122.820 0.194 0.000 2.455 443 A HA 0.804 5.124 4.320 0.000 0.000 0.300 443 A C -1.632 175.960 177.584 0.014 0.000 1.040 443 A CA -0.636 51.467 52.037 0.111 0.000 0.697 443 A CB 2.192 21.250 19.000 0.098 0.000 1.265 443 A HN 0.490 nan 8.150 nan 0.000 0.407 444 V N 2.149 121.966 119.914 -0.162 0.000 2.604 444 V HA 0.659 4.779 4.120 0.000 0.000 0.305 444 V C -0.906 175.093 176.094 -0.158 0.000 1.043 444 V CA -0.665 61.463 62.300 -0.288 0.000 0.888 444 V CB 1.795 33.168 31.823 -0.750 0.000 0.995 444 V HN 0.816 nan 8.190 nan 0.000 0.429 445 K N 4.461 124.802 120.400 -0.099 0.000 2.425 445 K HA 0.439 4.759 4.320 0.000 0.000 0.259 445 K C -0.428 176.115 176.600 -0.094 0.000 0.978 445 K CA -0.174 56.075 56.287 -0.063 0.000 0.883 445 K CB 1.722 34.233 32.500 0.018 0.000 1.110 445 K HN 0.686 nan 8.250 nan 0.000 0.436 446 S N 1.820 117.448 115.700 -0.119 0.000 2.565 446 S HA 0.054 4.524 4.470 0.000 0.000 0.276 446 S C 1.409 175.960 174.600 -0.082 0.000 1.326 446 S CA -0.521 57.608 58.200 -0.118 0.000 1.045 446 S CB 0.589 63.693 63.200 -0.160 0.000 0.918 446 S HN 0.711 nan 8.310 nan 0.000 0.505 447 R N 1.932 122.395 120.500 -0.062 0.000 2.193 447 R HA -0.052 4.289 4.340 0.000 0.000 0.229 447 R C 1.300 177.575 176.300 -0.042 0.000 1.110 447 R CA 1.670 57.748 56.100 -0.037 0.000 0.988 447 R CB -1.196 29.088 30.300 -0.027 0.000 0.871 447 R HN 0.677 nan 8.270 nan 0.000 0.458 448 T N -2.731 111.782 114.554 -0.069 0.000 3.122 448 T HA 0.375 4.725 4.350 0.000 0.000 0.250 448 T C 0.688 175.327 174.700 -0.103 0.000 1.067 448 T CA 0.019 62.078 62.100 -0.069 0.000 0.966 448 T CB 0.572 69.405 68.868 -0.058 0.000 1.002 448 T HN 0.567 nan 8.240 nan 0.000 0.542 449 G N -0.622 108.114 108.800 -0.107 0.000 2.784 449 G HA2 0.459 4.419 3.960 0.000 0.000 0.686 449 G HA3 0.459 4.419 3.960 0.000 0.000 0.686 449 G C 0.026 174.838 174.900 -0.147 0.000 1.156 449 G CA -0.519 44.516 45.100 -0.107 0.000 0.757 449 G HN 1.856 nan 8.290 nan 0.000 0.642 450 G N 0.493 109.224 108.800 -0.115 0.000 2.707 450 G HA2 0.572 4.532 3.960 0.000 0.000 0.686 450 G HA3 0.572 4.532 3.960 0.000 0.000 0.686 450 G C -0.380 174.445 174.900 -0.125 0.000 1.315 450 G CA 0.719 45.742 45.100 -0.127 0.000 0.832 450 G HN 2.527 nan 8.290 nan 0.000 0.573 451 E N -0.752 119.376 120.200 -0.120 0.000 2.413 451 E HA 0.766 5.116 4.350 0.000 0.000 0.277 451 E C -0.825 175.698 176.600 -0.129 0.000 0.958 451 E CA -1.001 55.328 56.400 -0.119 0.000 0.779 451 E CB 2.815 32.462 29.700 -0.088 0.000 1.278 451 E HN 0.734 nan 8.360 nan 0.000 0.456 452 E N 0.990 121.107 120.200 -0.139 0.000 2.308 452 E HA 0.411 4.761 4.350 0.000 0.000 0.275 452 E C -1.735 174.798 176.600 -0.112 0.000 0.890 452 E CA -0.572 55.742 56.400 -0.144 0.000 0.754 452 E CB 2.007 31.643 29.700 -0.107 0.000 1.207 452 E HN 0.634 nan 8.360 nan 0.000 0.426 453 S N 2.520 118.111 115.700 -0.181 0.000 2.569 453 S HA 0.773 5.244 4.470 0.000 0.000 0.280 453 S C -1.143 173.306 174.600 -0.252 0.000 1.111 453 S CA -0.731 57.426 58.200 -0.072 0.000 0.887 453 S CB 0.929 64.098 63.200 -0.052 0.000 1.095 453 S HN 0.317 nan 8.310 nan 0.000 0.476 454 F N 0.078 120.047 119.950 0.032 0.000 2.588 454 F HA 0.682 5.210 4.527 0.000 0.000 0.310 454 F C 0.095 175.875 175.800 -0.034 0.000 1.082 454 F CA -0.476 57.529 58.000 0.008 0.000 0.929 454 F CB 2.829 41.844 39.000 0.026 0.000 1.254 454 F HN 0.623 nan 8.300 nan 0.000 0.455 455 T N 4.207 118.828 114.554 0.112 0.000 2.881 455 T HA 0.740 5.090 4.350 0.000 0.000 0.291 455 T C -0.714 173.949 174.700 -0.062 0.000 0.990 455 T CA -0.458 61.648 62.100 0.011 0.000 0.976 455 T CB 0.858 69.716 68.868 -0.017 0.000 0.970 455 T HN 0.552 nan 8.240 nan 0.000 0.438 456 I N 0.560 121.041 120.570 -0.148 0.000 3.174 456 I HA 0.799 4.969 4.170 0.000 0.000 0.313 456 I C -3.122 172.841 176.117 -0.257 0.000 1.155 456 I CA -3.579 57.551 61.300 -0.283 0.000 0.977 456 I CB 2.094 39.730 38.000 -0.607 0.000 1.248 456 I HN 0.232 nan 8.210 nan 0.000 0.453 457 P HA 0.177 nan 4.420 nan 0.000 0.271 457 P C -0.612 176.364 177.300 -0.540 0.000 1.218 457 P CA -0.286 62.476 63.100 -0.564 0.000 0.780 457 P CB 0.846 31.914 31.700 -1.053 0.000 0.901 458 A N 3.390 125.963 122.820 -0.410 0.000 3.091 458 A HA 0.170 4.491 4.320 0.000 0.000 0.264 458 A C -0.459 177.009 177.584 -0.193 0.000 1.673 458 A CA -0.623 51.285 52.037 -0.215 0.000 1.362 458 A CB -1.360 17.564 19.000 -0.128 0.000 1.137 458 A HN 0.500 nan 8.150 nan 0.000 0.617 459 W N 1.550 122.752 121.300 -0.163 0.000 2.257 459 W HA 0.243 4.904 4.660 0.000 0.000 0.337 459 W C 1.054 177.544 176.519 -0.048 0.000 1.321 459 W CA 0.524 57.723 57.345 -0.243 0.000 1.267 459 W CB 0.538 29.763 29.460 -0.391 0.000 1.187 459 W HN 0.656 nan 8.180 nan 0.000 0.565 460 S N 1.725 117.584 115.700 0.265 0.000 2.565 460 S HA 0.471 4.941 4.470 0.000 0.000 0.276 460 S C 0.842 175.608 174.600 0.277 0.000 1.326 460 S CA -0.401 57.944 58.200 0.241 0.000 1.045 460 S CB 1.661 64.977 63.200 0.192 0.000 0.918 460 S HN 0.689 nan 8.310 nan 0.000 0.505 461 A N 2.028 124.959 122.820 0.185 0.000 2.121 461 A HA -0.070 4.250 4.320 0.000 0.000 0.218 461 A C 1.838 179.477 177.584 0.091 0.000 1.154 461 A CA 1.182 53.306 52.037 0.144 0.000 0.679 461 A CB -0.765 18.314 19.000 0.132 0.000 0.795 461 A HN 0.973 nan 8.150 nan 0.000 0.458 462 D N -0.186 120.268 120.400 0.089 0.000 2.178 462 D HA -0.172 4.468 4.640 0.000 0.000 0.202 462 D C 1.608 177.899 176.300 -0.014 0.000 0.974 462 D CA 1.241 55.266 54.000 0.042 0.000 0.841 462 D CB -0.328 40.501 40.800 0.049 0.000 0.953 462 D HN 0.544 nan 8.370 nan 0.000 0.478 463 R N -1.294 119.182 120.500 -0.040 0.000 2.521 463 R HA 0.202 4.543 4.340 0.000 0.000 0.289 463 R C 0.164 176.167 176.300 -0.495 0.000 0.936 463 R CA -0.256 55.693 56.100 -0.251 0.000 1.089 463 R CB 0.832 30.942 30.300 -0.316 0.000 1.348 463 R HN 0.243 nan 8.270 nan 0.000 0.536 464 H N -0.472 118.590 119.070 -0.014 0.000 2.690 464 H HA 0.456 5.012 4.556 0.000 0.000 0.368 464 H C -0.743 174.547 175.328 -0.063 0.000 1.150 464 H CA -0.631 55.391 56.048 -0.044 0.000 1.174 464 H CB 2.470 32.291 29.762 0.098 0.000 1.684 464 H HN -0.153 nan 8.280 nan 0.000 0.538 465 S N 1.774 117.452 115.700 -0.036 0.000 2.526 465 S HA 0.531 5.001 4.470 0.000 0.000 0.293 465 S C -0.103 174.543 174.600 0.076 0.000 1.092 465 S CA -0.664 57.532 58.200 -0.008 0.000 0.980 465 S CB 1.282 64.417 63.200 -0.108 0.000 1.048 465 S HN 0.356 nan 8.310 nan 0.000 0.483 466 I N 3.117 123.744 120.570 0.096 0.000 2.436 466 I HA 0.497 4.667 4.170 0.000 0.000 0.289 466 I C -1.320 174.779 176.117 -0.031 0.000 1.010 466 I CA -0.657 60.711 61.300 0.113 0.000 1.098 466 I CB 1.531 39.646 38.000 0.191 0.000 1.266 466 I HN 0.425 nan 8.210 nan 0.000 0.434 467 I N 6.960 127.472 120.570 -0.097 0.000 2.447 467 I HA 0.392 4.562 4.170 0.000 0.000 0.287 467 I C -0.579 175.463 176.117 -0.126 0.000 1.023 467 I CA -0.545 60.623 61.300 -0.220 0.000 1.083 467 I CB 1.964 39.727 38.000 -0.395 0.000 1.245 467 I HN 0.117 nan 8.210 nan 0.000 0.434 468 V N 5.846 125.583 119.914 -0.294 0.000 2.444 468 V HA 0.426 4.546 4.120 0.000 0.000 0.294 468 V C -0.296 175.401 176.094 -0.660 0.000 1.022 468 V CA -0.639 61.387 62.300 -0.456 0.000 0.850 468 V CB 1.611 33.038 31.823 -0.659 0.000 0.992 468 V HN 0.734 nan 8.190 nan 0.000 0.426 469 Q N 3.870 123.372 119.800 -0.497 0.000 2.340 469 Q HA 0.522 4.862 4.340 0.000 0.000 0.259 469 Q C -1.325 174.509 176.000 -0.277 0.000 0.964 469 Q CA -0.577 54.950 55.803 -0.460 0.000 0.900 469 Q CB 0.900 29.439 28.738 -0.333 0.000 1.228 469 Q HN 0.583 nan 8.270 nan 0.000 0.449 470 F N 1.035 120.893 119.950 -0.153 0.000 2.389 470 F HA 0.234 4.761 4.527 0.000 0.000 0.337 470 F C 0.865 176.644 175.800 -0.035 0.000 1.112 470 F CA -0.571 57.426 58.000 -0.006 0.000 1.192 470 F CB 1.083 40.070 39.000 -0.022 0.000 1.185 470 F HN 0.383 nan 8.300 nan 0.000 0.552 471 S N 0.998 116.830 115.700 0.220 0.000 2.562 471 S HA 0.042 4.513 4.470 0.000 0.000 0.281 471 S C 0.615 175.254 174.600 0.064 0.000 1.333 471 S CA -0.522 57.732 58.200 0.089 0.000 1.052 471 S CB 0.438 63.671 63.200 0.054 0.000 0.884 471 S HN 0.601 nan 8.310 nan 0.000 0.506 472 D N 0.126 120.558 120.400 0.053 0.000 2.336 472 D HA 0.029 4.669 4.640 0.000 0.000 0.229 472 D C -0.257 176.113 176.300 0.116 0.000 1.061 472 D CA 0.224 54.264 54.000 0.068 0.000 0.875 472 D CB -0.184 40.664 40.800 0.081 0.000 0.904 472 D HN 0.510 nan 8.370 nan 0.000 0.525 473 Y N -0.181 120.089 120.300 -0.051 0.000 2.348 473 Y HA 0.357 4.907 4.550 0.000 0.000 0.321 473 Y C -1.729 174.131 175.900 -0.067 0.000 1.163 473 Y CA -1.060 56.997 58.100 -0.071 0.000 1.070 473 Y CB 1.164 39.563 38.460 -0.102 0.000 1.250 473 Y HN -0.194 nan 8.280 nan 0.000 0.425 474 I N 6.845 127.070 120.570 -0.574 0.000 2.378 474 I HA 0.451 4.622 4.170 0.000 0.000 0.291 474 I C -0.366 175.475 176.117 -0.460 0.000 0.992 474 I CA -0.952 60.132 61.300 -0.360 0.000 1.154 474 I CB 1.419 39.252 38.000 -0.278 0.000 1.315 474 I HN 0.328 nan 8.210 nan 0.000 0.448 475 V N 0.000 119.815 119.914 -0.164 0.000 2.409 475 V HA 0.000 4.120 4.120 0.000 0.000 0.244 475 V CA 0.000 62.267 62.300 -0.054 0.000 1.235 475 V CB 0.000 31.856 31.823 0.055 0.000 1.184 475 V HN 0.000 nan 8.190 nan 0.000 0.556