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_B 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 0.000 176.536 176.600 -0.107 0.000 1.382 20 E CA 0.000 56.392 56.400 -0.013 0.000 0.976 20 E CB 0.000 29.688 29.700 -0.019 0.000 0.812 21 D N 0.245 120.502 120.400 -0.238 0.000 2.144 21 D HA 0.012 4.651 4.640 -0.000 0.000 0.200 21 D C 0.152 176.014 176.300 -0.730 0.000 0.978 21 D CA 1.242 54.906 54.000 -0.559 0.000 0.833 21 D CB 0.210 40.449 40.800 -0.935 0.000 0.961 21 D HN 0.053 nan 8.370 nan 0.000 0.470 22 F N -0.582 119.317 119.950 -0.084 0.000 2.598 22 F HA 0.455 4.982 4.527 -0.000 0.000 0.327 22 F C 0.746 176.492 175.800 -0.090 0.000 1.057 22 F CA -1.254 56.603 58.000 -0.238 0.000 0.957 22 F CB 1.280 39.837 39.000 -0.738 0.000 1.278 22 F HN -0.359 nan 8.300 nan 0.000 0.484 23 R N 0.335 120.882 120.500 0.079 0.000 2.873 23 R HA 0.766 5.106 4.340 -0.000 0.000 0.264 23 R C -3.182 173.116 176.300 -0.003 0.000 1.026 23 R CA -2.040 54.048 56.100 -0.020 0.000 1.002 23 R CB 1.205 31.497 30.300 -0.014 0.000 1.174 23 R HN 0.224 nan 8.270 nan 0.000 0.488 24 P HA 0.064 nan 4.420 nan 0.000 0.270 24 P C -1.014 176.293 177.300 0.012 0.000 1.223 24 P CA -0.427 62.633 63.100 -0.065 0.000 0.785 24 P CB 0.729 32.328 31.700 -0.168 0.000 0.923 25 V N 2.542 122.465 119.914 0.013 0.000 2.588 25 V HA 0.368 4.488 4.120 -0.000 0.000 0.304 25 V C -0.235 175.823 176.094 -0.059 0.000 1.042 25 V CA -0.595 61.670 62.300 -0.060 0.000 0.877 25 V CB 2.254 33.947 31.823 -0.216 0.000 0.996 25 V HN 0.188 nan 8.190 nan 0.000 0.425 26 V N 5.012 124.872 119.914 -0.090 0.000 2.487 26 V HA 0.492 4.612 4.120 -0.000 0.000 0.298 26 V C -0.770 175.212 176.094 -0.186 0.000 1.028 26 V CA -0.572 61.665 62.300 -0.104 0.000 0.860 26 V CB 1.710 33.465 31.823 -0.114 0.000 0.991 26 V HN 0.721 nan 8.190 nan 0.000 0.427 27 F N 5.663 125.360 119.950 -0.422 0.000 2.436 27 F HA 0.770 5.297 4.527 -0.000 0.000 0.340 27 F C -0.444 175.154 175.800 -0.336 0.000 1.113 27 F CA -0.608 57.037 58.000 -0.592 0.000 1.022 27 F CB 1.637 39.957 39.000 -1.133 0.000 1.128 27 F HN 0.258 nan 8.300 nan 0.000 0.466 28 V N 6.509 125.749 119.914 -1.123 0.000 2.378 28 V HA 0.244 4.364 4.120 -0.000 0.000 0.288 28 V C -0.330 175.018 176.094 -1.243 0.000 1.016 28 V CA -0.772 60.943 62.300 -0.976 0.000 0.840 28 V CB 0.846 32.197 31.823 -0.787 0.000 0.994 28 V HN 0.921 nan 8.190 nan 0.000 0.431 29 H N 2.739 121.320 119.070 -0.815 0.000 2.581 29 H HA 0.760 5.316 4.556 -0.000 0.000 0.369 29 H C 0.555 175.791 175.328 -0.154 0.000 1.351 29 H CA 0.200 55.992 56.048 -0.427 0.000 1.434 29 H CB 0.623 30.296 29.762 -0.148 0.000 1.558 29 H HN 0.657 nan 8.280 nan 0.000 0.608 30 G N -0.232 108.675 108.800 0.178 0.000 2.702 30 G HA2 0.326 4.286 3.960 -0.000 0.000 0.254 30 G HA3 0.326 4.286 3.960 -0.000 0.000 0.254 30 G C -0.625 174.361 174.900 0.144 0.000 1.380 30 G CA -0.970 44.215 45.100 0.141 0.000 1.042 30 G HN 0.712 nan 8.290 nan 0.000 0.557 31 L N 0.479 121.774 121.223 0.119 0.000 2.499 31 L HA 0.349 4.689 4.340 -0.000 0.000 0.273 31 L C 1.403 178.276 176.870 0.005 0.000 1.195 31 L CA 1.512 56.368 54.840 0.027 0.000 0.882 31 L CB 0.173 42.257 42.059 0.042 0.000 1.133 31 L HN 1.661 nan 8.230 nan 0.000 0.483 32 A N 3.164 125.871 122.820 -0.187 0.000 2.979 32 A HA -0.161 4.159 4.320 -0.000 0.000 0.260 32 A C 0.814 178.278 177.584 -0.199 0.000 1.282 32 A CA 1.125 52.998 52.037 -0.273 0.000 0.971 32 A CB -2.327 16.703 19.000 0.050 0.000 1.124 32 A HN 1.213 nan 8.150 nan 0.000 0.826 33 G N -1.965 106.678 108.800 -0.262 0.000 2.753 33 G HA2 0.941 4.901 3.960 -0.000 0.000 0.285 33 G HA3 0.941 4.901 3.960 -0.000 0.000 0.285 33 G C 0.024 174.479 174.900 -0.741 0.000 1.344 33 G CA 0.581 45.483 45.100 -0.330 0.000 1.050 33 G HN 2.101 nan 8.290 nan 0.000 0.532 34 S N -3.296 112.040 115.700 -0.607 0.000 2.694 34 S HA 0.551 5.020 4.470 -0.000 0.000 0.273 34 S C 1.159 175.693 174.600 -0.111 0.000 1.180 34 S CA 0.600 58.466 58.200 -0.557 0.000 0.864 34 S CB 0.767 63.779 63.200 -0.314 0.000 1.198 34 S HN 1.669 nan 8.310 nan 0.000 0.499 35 A N 0.523 123.346 122.820 0.004 0.000 2.070 35 A HA 0.229 4.549 4.320 -0.000 0.000 0.220 35 A C 2.093 179.687 177.584 0.017 0.000 1.159 35 A CA 1.942 54.060 52.037 0.134 0.000 0.656 35 A CB -1.761 17.337 19.000 0.163 0.000 0.800 35 A HN 1.523 nan 8.150 nan 0.000 0.453 36 G N -0.883 107.854 108.800 -0.106 0.000 2.462 36 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.220 36 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.220 36 G C 1.378 176.052 174.900 -0.378 0.000 1.121 36 G CA 1.092 46.085 45.100 -0.179 0.000 0.758 36 G HN 0.580 nan 8.290 nan 0.000 0.559 37 Q N -1.294 118.239 119.800 -0.445 0.000 2.488 37 Q HA 0.201 4.541 4.340 -0.000 0.000 0.211 37 Q C 0.982 176.714 176.000 -0.446 0.000 0.967 37 Q CA 0.309 55.843 55.803 -0.449 0.000 0.926 37 Q CB -0.053 28.510 28.738 -0.291 0.000 0.992 37 Q HN 0.507 nan 8.270 nan 0.000 0.506 38 F N -0.764 118.768 119.950 -0.697 0.000 2.724 38 F HA 0.244 4.770 4.527 -0.000 0.000 0.310 38 F C 1.490 176.941 175.800 -0.582 0.000 1.107 38 F CA -0.399 57.108 58.000 -0.822 0.000 1.218 38 F CB 0.553 38.845 39.000 -1.180 0.000 1.042 38 F HN 0.046 nan 8.300 nan 0.000 0.540 39 E N -0.409 119.627 120.200 -0.273 0.000 2.047 39 E HA -0.149 4.201 4.350 -0.000 0.000 0.191 39 E C 1.854 178.311 176.600 -0.239 0.000 0.987 39 E CA 1.683 58.006 56.400 -0.127 0.000 0.799 39 E CB 0.097 29.849 29.700 0.087 0.000 0.752 39 E HN 0.257 nan 8.360 nan 0.000 0.449 40 S N 0.719 116.258 115.700 -0.268 0.000 2.368 40 S HA -0.130 4.340 4.470 -0.000 0.000 0.224 40 S C 1.881 176.162 174.600 -0.531 0.000 1.029 40 S CA 0.900 58.918 58.200 -0.303 0.000 0.988 40 S CB -0.140 62.916 63.200 -0.241 0.000 0.838 40 S HN 0.296 nan 8.310 nan 0.000 0.462 41 Q N 0.891 120.246 119.800 -0.742 0.000 2.084 41 Q HA -0.038 4.301 4.340 -0.000 0.000 0.202 41 Q C 2.453 177.979 176.000 -0.790 0.000 0.978 41 Q CA 1.568 56.802 55.803 -0.948 0.000 0.844 41 Q CB -1.191 26.669 28.738 -1.463 0.000 0.898 41 Q HN 0.599 nan 8.270 nan 0.000 0.426 42 G N 0.917 109.170 108.800 -0.912 0.000 2.440 42 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.218 42 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.218 42 G C 1.527 176.132 174.900 -0.492 0.000 1.154 42 G CA 0.972 45.492 45.100 -0.968 0.000 0.767 42 G HN 0.249 nan 8.290 nan 0.000 0.552 43 M N -0.237 119.160 119.600 -0.339 0.000 2.229 43 M HA 0.007 4.487 4.480 -0.000 0.000 0.264 43 M C 2.758 178.906 176.300 -0.254 0.000 1.063 43 M CA 1.049 56.303 55.300 -0.077 0.000 1.114 43 M CB -0.235 32.363 32.600 -0.004 0.000 1.387 43 M HN 0.145 nan 8.290 nan 0.000 0.420 44 R N -0.308 119.858 120.500 -0.557 0.000 2.075 44 R HA -0.073 4.267 4.340 -0.000 0.000 0.232 44 R C 2.042 177.914 176.300 -0.714 0.000 1.126 44 R CA 1.404 56.950 56.100 -0.923 0.000 0.963 44 R CB -0.428 28.755 30.300 -1.862 0.000 0.858 44 R HN 0.276 nan 8.270 nan 0.000 0.435 45 F N 0.799 120.473 119.950 -0.460 0.000 2.126 45 F HA -0.226 4.301 4.527 -0.000 0.000 0.299 45 F C 2.653 178.369 175.800 -0.141 0.000 1.096 45 F CA 1.316 59.166 58.000 -0.250 0.000 1.255 45 F CB -0.349 38.309 39.000 -0.569 0.000 0.997 45 F HN 0.099 nan 8.300 nan 0.000 0.479 46 A N -0.072 122.803 122.820 0.092 0.000 1.933 46 A HA -0.088 4.232 4.320 -0.000 0.000 0.218 46 A C 2.329 179.958 177.584 0.076 0.000 1.175 46 A CA 1.544 53.661 52.037 0.132 0.000 0.628 46 A CB -1.256 17.847 19.000 0.172 0.000 0.814 46 A HN 0.316 nan 8.150 nan 0.000 0.444 47 A N -0.032 122.781 122.820 -0.012 0.000 2.019 47 A HA -0.154 4.166 4.320 -0.000 0.000 0.219 47 A C 1.484 179.072 177.584 0.007 0.000 1.164 47 A CA 1.688 53.708 52.037 -0.030 0.000 0.644 47 A CB -0.597 18.331 19.000 -0.119 0.000 0.805 47 A HN 0.626 nan 8.150 nan 0.000 0.449 48 N N -1.479 117.243 118.700 0.037 0.000 2.276 48 N HA 0.376 5.116 4.740 -0.000 0.000 0.212 48 N C 0.824 176.490 175.510 0.259 0.000 1.127 48 N CA 0.812 53.927 53.050 0.108 0.000 0.834 48 N CB 0.745 39.226 38.487 -0.010 0.000 1.014 48 N HN 0.518 nan 8.380 nan 0.000 0.491 49 G N -0.768 108.163 108.800 0.218 0.000 2.231 49 G HA2 -0.267 3.692 3.960 -0.000 0.000 0.206 49 G HA3 -0.267 3.692 3.960 -0.000 0.000 0.206 49 G C -0.371 174.639 174.900 0.183 0.000 0.996 49 G CA -0.606 44.663 45.100 0.281 0.000 0.645 49 G HN 0.230 nan 8.290 nan 0.000 0.498 50 Y N 1.976 122.139 120.300 -0.229 0.000 2.411 50 Y HA 0.456 5.006 4.550 -0.000 0.000 0.333 50 Y C -1.738 174.112 175.900 -0.083 0.000 1.186 50 Y CA -1.583 56.378 58.100 -0.232 0.000 1.381 50 Y CB 0.554 38.923 38.460 -0.153 0.000 1.273 50 Y HN -0.008 nan 8.280 nan 0.000 0.546 51 P HA 0.101 nan 4.420 nan 0.000 0.276 51 P C -0.102 177.222 177.300 0.039 0.000 1.235 51 P CA 0.174 63.188 63.100 -0.144 0.000 0.772 51 P CB 1.162 32.542 31.700 -0.532 0.000 0.871 52 A N 3.599 126.492 122.820 0.122 0.000 1.986 52 A HA -0.241 4.079 4.320 -0.000 0.000 0.220 52 A C 1.973 179.741 177.584 0.306 0.000 1.171 52 A CA 1.748 53.944 52.037 0.266 0.000 0.640 52 A CB -0.971 18.141 19.000 0.187 0.000 0.811 52 A HN 0.525 nan 8.150 nan 0.000 0.451 53 E N -1.409 118.900 120.200 0.182 0.000 2.478 53 E HA -0.099 4.251 4.350 -0.000 0.000 0.198 53 E C 0.991 177.834 176.600 0.404 0.000 1.046 53 E CA 0.518 57.054 56.400 0.227 0.000 0.870 53 E CB -0.326 29.463 29.700 0.149 0.000 0.818 53 E HN 0.683 nan 8.360 nan 0.000 0.527 54 Y N -0.879 119.543 120.300 0.203 0.000 2.561 54 Y HA 0.110 4.660 4.550 -0.000 0.000 0.291 54 Y C 0.311 176.317 175.900 0.176 0.000 1.141 54 Y CA -0.168 58.041 58.100 0.182 0.000 1.303 54 Y CB 0.126 38.711 38.460 0.208 0.000 1.015 54 Y HN -0.193 nan 8.280 nan 0.000 0.547 55 V N 3.109 123.254 119.914 0.385 0.000 2.334 55 V HA 0.213 4.333 4.120 -0.000 0.000 0.267 55 V C 0.019 176.340 176.094 0.379 0.000 1.040 55 V CA -0.791 61.660 62.300 0.253 0.000 0.866 55 V CB 0.646 32.546 31.823 0.129 0.000 1.019 55 V HN -0.079 nan 8.190 nan 0.000 0.468 56 K N 2.959 123.493 120.400 0.224 0.000 2.221 56 K HA 0.753 5.073 4.320 -0.000 0.000 0.243 56 K C 0.013 176.716 176.600 0.173 0.000 0.968 56 K CA -0.521 55.901 56.287 0.226 0.000 0.846 56 K CB 2.333 34.912 32.500 0.132 0.000 1.141 56 K HN 0.734 nan 8.250 nan 0.000 0.434 57 T N -2.103 112.575 114.554 0.207 0.000 2.907 57 T HA 0.640 4.990 4.350 -0.000 0.000 0.292 57 T C -0.926 173.865 174.700 0.150 0.000 1.043 57 T CA -0.774 61.436 62.100 0.184 0.000 1.003 57 T CB 0.978 70.006 68.868 0.266 0.000 1.084 57 T HN 0.380 nan 8.240 nan 0.000 0.483 58 F N 1.206 121.109 119.950 -0.078 0.000 2.460 58 F HA 0.601 5.127 4.527 -0.000 0.000 0.341 58 F C -0.328 175.419 175.800 -0.088 0.000 1.130 58 F CA -0.743 57.176 58.000 -0.135 0.000 0.962 58 F CB 1.387 40.205 39.000 -0.304 0.000 1.171 58 F HN 0.740 nan 8.300 nan 0.000 0.436 59 E N 5.580 125.496 120.200 -0.474 0.000 2.202 59 E HA 0.469 4.818 4.350 -0.000 0.000 0.272 59 E C -1.588 174.811 176.600 -0.334 0.000 0.951 59 E CA -0.811 55.485 56.400 -0.173 0.000 0.813 59 E CB 2.350 32.008 29.700 -0.070 0.000 1.151 59 E HN 0.641 nan 8.360 nan 0.000 0.398 60 Y N -1.597 118.564 120.300 -0.232 0.000 2.638 60 Y HA 0.357 4.907 4.550 -0.000 0.000 0.335 60 Y C -1.056 174.823 175.900 -0.035 0.000 1.155 60 Y CA -1.544 56.422 58.100 -0.224 0.000 1.046 60 Y CB 0.881 39.165 38.460 -0.294 0.000 1.303 60 Y HN 0.264 nan 8.280 nan 0.000 0.460 61 D N 1.739 122.161 120.400 0.036 0.000 2.344 61 D HA 0.075 4.715 4.640 -0.000 0.000 0.253 61 D C 1.159 177.486 176.300 0.045 0.000 1.255 61 D CA 0.701 54.702 54.000 0.001 0.000 0.894 61 D CB 1.370 42.222 40.800 0.087 0.000 1.067 61 D HN 0.809 nan 8.370 nan 0.000 0.492 62 T N 1.585 116.043 114.554 -0.161 0.000 2.995 62 T HA -0.091 4.258 4.350 -0.000 0.000 0.269 62 T C 1.942 176.651 174.700 0.015 0.000 1.091 62 T CA 0.184 62.232 62.100 -0.086 0.000 1.128 62 T CB 0.064 68.781 68.868 -0.252 0.000 0.891 62 T HN 0.315 nan 8.240 nan 0.000 0.492 63 I N 2.068 122.613 120.570 -0.042 0.000 2.193 63 I HA -0.031 4.139 4.170 -0.000 0.000 0.240 63 I C 2.792 178.998 176.117 0.148 0.000 1.084 63 I CA 0.877 62.177 61.300 0.001 0.000 1.365 63 I CB -1.545 36.459 38.000 0.007 0.000 1.064 63 I HN 0.276 nan 8.210 nan 0.000 0.410 64 S N -0.053 115.744 115.700 0.161 0.000 2.383 64 S HA -0.185 4.284 4.470 -0.000 0.000 0.227 64 S C 1.759 176.493 174.600 0.224 0.000 1.026 64 S CA 0.758 59.064 58.200 0.178 0.000 0.981 64 S CB -0.330 62.974 63.200 0.172 0.000 0.818 64 S HN 0.516 nan 8.310 nan 0.000 0.472 65 W N 2.251 123.644 121.300 0.155 0.000 2.358 65 W HA -0.160 4.499 4.660 -0.000 0.000 0.303 65 W C 2.451 179.057 176.519 0.145 0.000 1.208 65 W CA 1.346 58.810 57.345 0.198 0.000 1.274 65 W CB -0.465 29.240 29.460 0.409 0.000 1.138 65 W HN 0.349 nan 8.180 nan 0.000 0.515 66 A N 0.616 123.603 122.820 0.279 0.000 1.877 66 A HA -0.184 4.136 4.320 -0.000 0.000 0.216 66 A C 2.122 179.752 177.584 0.076 0.000 1.186 66 A CA 1.750 53.883 52.037 0.159 0.000 0.620 66 A CB -1.134 17.987 19.000 0.202 0.000 0.822 66 A HN 0.329 nan 8.150 nan 0.000 0.443 67 L N -0.911 120.390 121.223 0.129 0.000 2.240 67 L HA -0.048 4.292 4.340 -0.000 0.000 0.211 67 L C 2.114 179.010 176.870 0.043 0.000 1.106 67 L CA 0.526 55.437 54.840 0.120 0.000 0.793 67 L CB -0.166 41.990 42.059 0.162 0.000 0.927 67 L HN 0.239 nan 8.230 nan 0.000 0.446 68 V N -1.802 118.090 119.914 -0.037 0.000 2.922 68 V HA -0.005 4.114 4.120 -0.000 0.000 0.242 68 V C 1.869 177.821 176.094 -0.235 0.000 1.094 68 V CA 0.616 62.851 62.300 -0.108 0.000 1.106 68 V CB 1.103 32.865 31.823 -0.101 0.000 0.799 68 V HN 0.114 nan 8.190 nan 0.000 0.474 69 V N -1.114 118.552 119.914 -0.413 0.000 2.806 69 V HA 0.177 4.297 4.120 -0.000 0.000 0.239 69 V C 1.290 177.165 176.094 -0.365 0.000 1.113 69 V CA 0.589 62.540 62.300 -0.582 0.000 1.137 69 V CB -0.104 30.890 31.823 -1.381 0.000 0.865 69 V HN 0.404 nan 8.190 nan 0.000 0.482 70 E N 1.501 121.524 120.200 -0.296 0.000 2.338 70 E HA 0.092 4.442 4.350 -0.000 0.000 0.231 70 E C 1.654 178.182 176.600 -0.121 0.000 1.231 70 E CA 0.561 56.869 56.400 -0.155 0.000 1.490 70 E CB 0.004 29.651 29.700 -0.087 0.000 1.360 70 E HN 0.760 nan 8.360 nan 0.000 0.435 71 T N -1.705 112.817 114.554 -0.054 0.000 2.759 71 T HA -0.189 4.161 4.350 -0.000 0.000 0.269 71 T C 1.294 176.033 174.700 0.064 0.000 1.042 71 T CA 1.075 63.214 62.100 0.064 0.000 1.140 71 T CB 0.045 69.024 68.868 0.185 0.000 0.864 71 T HN -0.035 nan 8.240 nan 0.000 0.455 72 D N 1.107 121.515 120.400 0.014 0.000 2.104 72 D HA -0.101 4.539 4.640 -0.000 0.000 0.194 72 D C 2.026 178.302 176.300 -0.039 0.000 0.994 72 D CA 1.437 55.447 54.000 0.017 0.000 0.830 72 D CB -0.455 40.353 40.800 0.013 0.000 0.959 72 D HN 0.462 nan 8.370 nan 0.000 0.452 73 M N -0.110 119.403 119.600 -0.146 0.000 2.099 73 M HA -0.157 4.322 4.480 -0.000 0.000 0.262 73 M C 2.033 178.185 176.300 -0.245 0.000 1.067 73 M CA 1.169 56.302 55.300 -0.279 0.000 1.124 73 M CB -0.092 32.060 32.600 -0.746 0.000 1.353 73 M HN 0.013 nan 8.290 nan 0.000 0.410 74 L N 0.495 121.537 121.223 -0.302 0.000 2.017 74 L HA -0.082 4.257 4.340 -0.000 0.000 0.208 74 L C 1.573 178.139 176.870 -0.507 0.000 1.073 74 L CA 2.027 56.596 54.840 -0.453 0.000 0.745 74 L CB -0.727 40.920 42.059 -0.686 0.000 0.894 74 L HN 0.348 nan 8.230 nan 0.000 0.432 75 F N -1.580 118.350 119.950 -0.033 0.000 2.773 75 F HA 0.078 4.605 4.527 -0.000 0.000 0.304 75 F C 1.890 177.681 175.800 -0.015 0.000 1.129 75 F CA 0.393 58.377 58.000 -0.026 0.000 1.378 75 F CB -0.336 38.645 39.000 -0.032 0.000 1.095 75 F HN 0.193 nan 8.300 nan 0.000 0.565 76 S N -1.304 114.439 115.700 0.072 0.000 2.559 76 S HA 0.385 4.855 4.470 -0.000 0.000 0.226 76 S C 1.419 176.051 174.600 0.053 0.000 1.000 76 S CA 0.183 58.420 58.200 0.063 0.000 0.948 76 S CB 0.348 63.571 63.200 0.037 0.000 0.870 76 S HN 0.412 nan 8.310 nan 0.000 0.497 77 G N 1.516 110.333 108.800 0.029 0.000 2.198 77 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.257 77 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.257 77 G C 0.254 175.204 174.900 0.084 0.000 1.042 77 G CA 0.481 45.608 45.100 0.045 0.000 0.791 77 G HN 0.563 nan 8.290 nan 0.000 0.502 78 L N -0.415 120.843 121.223 0.058 0.000 2.628 78 L HA 0.457 4.797 4.340 -0.000 0.000 0.229 78 L C 1.678 178.644 176.870 0.161 0.000 1.137 78 L CA 0.550 55.478 54.840 0.147 0.000 0.909 78 L CB 0.100 42.219 42.059 0.099 0.000 1.137 78 L HN 0.449 nan 8.230 nan 0.000 0.470 79 G N -0.842 107.993 108.800 0.058 0.000 3.214 79 G HA2 0.320 4.280 3.960 -0.000 0.000 0.188 79 G HA3 0.320 4.280 3.960 -0.000 0.000 0.188 79 G C -0.437 174.489 174.900 0.044 0.000 1.126 79 G CA 0.228 45.363 45.100 0.058 0.000 0.796 79 G HN 0.095 nan 8.290 nan 0.000 0.631 80 S N -0.747 114.978 115.700 0.042 0.000 2.634 80 S HA 0.277 4.747 4.470 -0.000 0.000 0.261 80 S C 0.292 174.903 174.600 0.018 0.000 1.271 80 S CA -0.017 58.197 58.200 0.024 0.000 0.985 80 S CB 1.270 64.509 63.200 0.066 0.000 0.968 80 S HN 0.533 nan 8.310 nan 0.000 0.568 81 E N -0.008 120.195 120.200 0.004 0.000 2.335 81 E HA 0.127 4.477 4.350 -0.000 0.000 0.191 81 E C 0.280 176.908 176.600 0.045 0.000 1.077 81 E CA -0.201 56.205 56.400 0.008 0.000 1.010 81 E CB -0.273 29.425 29.700 -0.003 0.000 1.141 81 E HN 0.691 nan 8.360 nan 0.000 0.452 82 F N 1.399 121.308 119.950 -0.068 0.000 2.202 82 F HA -0.079 4.448 4.527 -0.000 0.000 0.301 82 F C 2.034 177.811 175.800 -0.039 0.000 1.082 82 F CA 1.652 59.627 58.000 -0.042 0.000 1.313 82 F CB -0.372 38.609 39.000 -0.032 0.000 1.024 82 F HN 0.060 nan 8.300 nan 0.000 0.495 83 G N 0.551 109.193 108.800 -0.263 0.000 2.448 83 G HA2 -0.187 3.772 3.960 -0.000 0.000 0.219 83 G HA3 -0.187 3.772 3.960 -0.000 0.000 0.219 83 G C 1.736 176.570 174.900 -0.110 0.000 1.127 83 G CA 0.864 45.771 45.100 -0.321 0.000 0.766 83 G HN 0.462 nan 8.290 nan 0.000 0.552 84 L N 0.308 121.486 121.223 -0.075 0.000 2.291 84 L HA 0.057 4.397 4.340 -0.000 0.000 0.214 84 L C 1.460 178.304 176.870 -0.044 0.000 1.120 84 L CA 0.620 55.449 54.840 -0.019 0.000 0.799 84 L CB -0.074 41.984 42.059 -0.001 0.000 0.925 84 L HN 0.172 nan 8.230 nan 0.000 0.446 85 N N -0.714 117.926 118.700 -0.100 0.000 2.200 85 N HA 0.205 4.944 4.740 -0.000 0.000 0.224 85 N C 1.523 176.955 175.510 -0.130 0.000 1.179 85 N CA 0.054 53.059 53.050 -0.075 0.000 0.877 85 N CB 0.811 39.292 38.487 -0.009 0.000 1.072 85 N HN 0.258 nan 8.380 nan 0.000 0.519 86 I N 1.385 121.805 120.570 -0.250 0.000 2.113 86 I HA -0.359 3.811 4.170 -0.000 0.000 0.242 86 I C 2.415 178.480 176.117 -0.087 0.000 1.064 86 I CA 1.774 62.917 61.300 -0.262 0.000 1.320 86 I CB -0.421 37.443 38.000 -0.225 0.000 1.028 86 I HN 0.160 nan 8.210 nan 0.000 0.406 87 S N 0.090 115.758 115.700 -0.054 0.000 2.447 87 S HA -0.188 4.282 4.470 -0.000 0.000 0.233 87 S C 1.781 176.376 174.600 -0.008 0.000 1.006 87 S CA 0.847 59.033 58.200 -0.022 0.000 0.957 87 S CB -0.368 62.820 63.200 -0.021 0.000 0.773 87 S HN 0.561 nan 8.310 nan 0.000 0.507 88 Q N -0.069 119.726 119.800 -0.008 0.000 2.398 88 Q HA 0.370 4.710 4.340 -0.000 0.000 0.204 88 Q C 1.745 177.757 176.000 0.021 0.000 0.932 88 Q CA 0.510 56.315 55.803 0.004 0.000 0.916 88 Q CB -0.034 28.704 28.738 0.001 0.000 1.024 88 Q HN 0.572 nan 8.270 nan 0.000 0.504 89 I N -0.056 120.538 120.570 0.040 0.000 3.265 89 I HA 0.063 4.233 4.170 -0.000 0.000 0.282 89 I C 0.428 176.603 176.117 0.097 0.000 1.207 89 I CA 0.424 61.777 61.300 0.089 0.000 1.449 89 I CB 0.776 38.877 38.000 0.169 0.000 1.121 89 I HN 0.032 nan 8.210 nan 0.000 0.442 90 I N 1.943 122.559 120.570 0.077 0.000 2.406 90 I HA 0.137 4.307 4.170 -0.000 0.000 0.290 90 I C -0.507 175.638 176.117 0.047 0.000 0.999 90 I CA -0.938 60.408 61.300 0.078 0.000 1.124 90 I CB 1.451 39.509 38.000 0.096 0.000 1.289 90 I HN 0.108 nan 8.210 nan 0.000 0.441 91 D N 6.549 126.975 120.400 0.043 0.000 2.399 91 D HA 0.071 4.710 4.640 -0.000 0.000 0.241 91 D C -2.173 174.142 176.300 0.026 0.000 1.133 91 D CA -1.207 52.810 54.000 0.029 0.000 0.890 91 D CB 1.456 42.272 40.800 0.027 0.000 1.201 91 D HN 0.184 nan 8.370 nan 0.000 0.432 92 P HA -0.198 nan 4.420 nan 0.000 0.215 92 P C 1.124 178.432 177.300 0.014 0.000 1.163 92 P CA 1.578 64.685 63.100 0.012 0.000 0.894 92 P CB 0.141 31.845 31.700 0.006 0.000 0.791 93 E N -1.359 118.850 120.200 0.015 0.000 2.150 93 E HA -0.115 4.235 4.350 -0.000 0.000 0.193 93 E C 1.865 178.478 176.600 0.021 0.000 0.985 93 E CA 1.370 57.779 56.400 0.015 0.000 0.814 93 E CB -0.586 29.122 29.700 0.013 0.000 0.752 93 E HN 0.281 nan 8.360 nan 0.000 0.466 94 T N 1.445 116.016 114.554 0.028 0.000 2.777 94 T HA -0.126 4.224 4.350 -0.000 0.000 0.266 94 T C 1.786 176.511 174.700 0.042 0.000 1.040 94 T CA 0.655 62.777 62.100 0.037 0.000 1.141 94 T CB -0.151 68.743 68.868 0.045 0.000 0.868 94 T HN 0.035 nan 8.240 nan 0.000 0.444 95 L N 1.729 122.976 121.223 0.040 0.000 2.046 95 L HA -0.063 4.277 4.340 -0.000 0.000 0.208 95 L C 1.797 178.686 176.870 0.032 0.000 1.077 95 L CA 1.818 56.683 54.840 0.042 0.000 0.747 95 L CB -0.746 41.333 42.059 0.034 0.000 0.896 95 L HN 0.073 nan 8.230 nan 0.000 0.432 96 D N -0.207 120.206 120.400 0.021 0.000 2.123 96 D HA -0.198 4.442 4.640 -0.000 0.000 0.196 96 D C 2.121 178.431 176.300 0.017 0.000 0.992 96 D CA 1.317 55.325 54.000 0.014 0.000 0.833 96 D CB -0.093 40.712 40.800 0.008 0.000 0.954 96 D HN 0.408 nan 8.370 nan 0.000 0.455 97 K N 0.299 120.712 120.400 0.022 0.000 2.057 97 K HA -0.082 4.237 4.320 -0.000 0.000 0.207 97 K C 2.384 179.002 176.600 0.030 0.000 1.049 97 K CA 0.671 56.972 56.287 0.024 0.000 0.931 97 K CB -0.127 32.389 32.500 0.027 0.000 0.714 97 K HN 0.202 nan 8.250 nan 0.000 0.440 98 I N 1.335 121.929 120.570 0.040 0.000 2.142 98 I HA -0.284 3.886 4.170 -0.000 0.000 0.240 98 I C 2.159 178.298 176.117 0.036 0.000 1.078 98 I CA 1.279 62.608 61.300 0.049 0.000 1.343 98 I CB -0.294 37.748 38.000 0.069 0.000 1.046 98 I HN 0.106 nan 8.210 nan 0.000 0.405 99 L N 0.473 121.715 121.223 0.031 0.000 2.456 99 L HA -0.132 4.207 4.340 -0.000 0.000 0.224 99 L C 2.462 179.335 176.870 0.005 0.000 1.148 99 L CA 1.117 55.968 54.840 0.017 0.000 0.825 99 L CB -0.604 41.463 42.059 0.013 0.000 0.937 99 L HN 0.368 nan 8.230 nan 0.000 0.450 100 S N -1.472 114.232 115.700 0.008 0.000 2.558 100 S HA 0.026 4.496 4.470 -0.000 0.000 0.217 100 S C 0.843 175.443 174.600 0.000 0.000 0.975 100 S CA -0.342 57.859 58.200 0.002 0.000 0.912 100 S CB -0.088 63.115 63.200 0.004 0.000 0.776 100 S HN 0.260 nan 8.310 nan 0.000 0.526 101 K N 2.245 122.647 120.400 0.005 0.000 2.414 101 K HA 0.159 4.479 4.320 -0.000 0.000 0.272 101 K C 0.133 176.724 176.600 -0.014 0.000 0.993 101 K CA 0.012 56.301 56.287 0.003 0.000 0.964 101 K CB 0.438 32.946 32.500 0.014 0.000 0.925 101 K HN 0.222 nan 8.250 nan 0.000 0.487 102 S N 1.912 117.603 115.700 -0.014 0.000 2.465 102 S HA 0.021 4.491 4.470 -0.000 0.000 0.280 102 S C 1.198 175.767 174.600 -0.052 0.000 1.232 102 S CA -0.298 57.885 58.200 -0.028 0.000 1.066 102 S CB 0.498 63.687 63.200 -0.020 0.000 0.929 102 S HN 0.655 nan 8.310 nan 0.000 0.494 103 R N 3.579 124.034 120.500 -0.075 0.000 2.073 103 R HA -0.114 4.225 4.340 -0.000 0.000 0.234 103 R C 2.106 178.324 176.300 -0.137 0.000 1.134 103 R CA 2.040 58.064 56.100 -0.126 0.000 0.952 103 R CB -0.362 29.858 30.300 -0.133 0.000 0.850 103 R HN 0.899 nan 8.270 nan 0.000 0.433 104 E N 0.126 120.267 120.200 -0.098 0.000 2.085 104 E HA -0.270 4.080 4.350 -0.000 0.000 0.194 104 E C 2.145 178.701 176.600 -0.074 0.000 0.994 104 E CA 1.377 57.724 56.400 -0.088 0.000 0.801 104 E CB -0.009 29.657 29.700 -0.057 0.000 0.743 104 E HN 0.246 nan 8.360 nan 0.000 0.453 105 R N 0.035 120.507 120.500 -0.048 0.000 2.081 105 R HA -0.157 4.183 4.340 -0.000 0.000 0.235 105 R C 2.500 178.792 176.300 -0.014 0.000 1.131 105 R CA 1.229 57.317 56.100 -0.021 0.000 0.960 105 R CB -0.298 29.998 30.300 -0.006 0.000 0.856 105 R HN 0.225 nan 8.270 nan 0.000 0.436 106 L N 0.997 122.203 121.223 -0.028 0.000 2.017 106 L HA -0.121 4.219 4.340 -0.000 0.000 0.208 106 L C 1.943 178.820 176.870 0.012 0.000 1.073 106 L CA 1.706 56.556 54.840 0.017 0.000 0.745 106 L CB -0.375 41.679 42.059 -0.009 0.000 0.894 106 L HN 0.265 nan 8.230 nan 0.000 0.432 107 I N -0.470 120.002 120.570 -0.163 0.000 2.179 107 I HA -0.289 3.881 4.170 -0.000 0.000 0.242 107 I C 2.069 178.004 176.117 -0.303 0.000 1.088 107 I CA 1.433 62.514 61.300 -0.366 0.000 1.357 107 I CB -0.552 37.174 38.000 -0.457 0.000 1.051 107 I HN 0.285 nan 8.210 nan 0.000 0.409 108 D N 0.797 121.129 120.400 -0.114 0.000 2.097 108 D HA -0.180 4.460 4.640 -0.000 0.000 0.195 108 D C 2.138 178.480 176.300 0.071 0.000 0.989 108 D CA 1.316 55.315 54.000 -0.001 0.000 0.827 108 D CB -0.234 40.572 40.800 0.010 0.000 0.966 108 D HN 0.370 nan 8.370 nan 0.000 0.456 109 E N -0.307 119.937 120.200 0.072 0.000 2.106 109 E HA -0.093 4.257 4.350 -0.000 0.000 0.192 109 E C 1.981 178.690 176.600 0.182 0.000 0.984 109 E CA 1.184 57.654 56.400 0.117 0.000 0.806 109 E CB 0.057 29.819 29.700 0.103 0.000 0.750 109 E HN 0.200 nan 8.360 nan 0.000 0.458 110 T N 0.743 115.419 114.554 0.202 0.000 2.770 110 T HA -0.090 4.259 4.350 -0.000 0.000 0.263 110 T C 1.409 176.347 174.700 0.398 0.000 1.039 110 T CA 0.779 63.070 62.100 0.318 0.000 1.142 110 T CB -0.223 68.846 68.868 0.334 0.000 0.868 110 T HN 0.068 nan 8.240 nan 0.000 0.435 111 F N 2.080 122.105 119.950 0.125 0.000 2.216 111 F HA 0.008 4.535 4.527 -0.000 0.000 0.300 111 F C 2.772 178.650 175.800 0.130 0.000 1.085 111 F CA 0.040 58.102 58.000 0.104 0.000 1.326 111 F CB -1.405 37.690 39.000 0.160 0.000 1.027 111 F HN 0.105 nan 8.300 nan 0.000 0.497 112 S N -0.434 115.446 115.700 0.300 0.000 2.402 112 S HA -0.175 4.295 4.470 -0.000 0.000 0.229 112 S C 2.148 176.853 174.600 0.174 0.000 1.021 112 S CA 0.944 59.262 58.200 0.197 0.000 0.974 112 S CB -0.244 63.044 63.200 0.146 0.000 0.800 112 S HN 0.310 nan 8.310 nan 0.000 0.484 113 R N 0.628 121.259 120.500 0.218 0.000 2.075 113 R HA -0.025 4.315 4.340 -0.000 0.000 0.232 113 R C 2.234 178.664 176.300 0.217 0.000 1.126 113 R CA 1.001 57.251 56.100 0.250 0.000 0.963 113 R CB -0.375 30.137 30.300 0.354 0.000 0.858 113 R HN 0.309 nan 8.270 nan 0.000 0.435 114 L N 1.265 122.493 121.223 0.009 0.000 2.083 114 L HA -0.143 4.197 4.340 -0.000 0.000 0.209 114 L C 1.225 178.003 176.870 -0.154 0.000 1.083 114 L CA 1.900 56.492 54.840 -0.412 0.000 0.752 114 L CB -0.546 40.873 42.059 -1.067 0.000 0.899 114 L HN 0.152 nan 8.230 nan 0.000 0.433 115 D N -0.294 120.119 120.400 0.022 0.000 2.133 115 D HA -0.199 4.441 4.640 -0.000 0.000 0.195 115 D C 2.299 178.628 176.300 0.048 0.000 0.997 115 D CA 1.335 55.387 54.000 0.086 0.000 0.840 115 D CB -0.042 40.825 40.800 0.112 0.000 0.947 115 D HN 0.415 nan 8.370 nan 0.000 0.452 116 R N 0.072 120.608 120.500 0.060 0.000 2.090 116 R HA -0.001 4.339 4.340 -0.000 0.000 0.228 116 R C 2.389 178.718 176.300 0.048 0.000 1.110 116 R CA 0.401 56.534 56.100 0.056 0.000 0.973 116 R CB -0.221 30.122 30.300 0.073 0.000 0.869 116 R HN 0.094 nan 8.270 nan 0.000 0.440 117 V N 1.471 121.418 119.914 0.055 0.000 2.358 117 V HA -0.216 3.904 4.120 -0.000 0.000 0.246 117 V C 2.232 178.333 176.094 0.010 0.000 1.047 117 V CA 1.620 63.952 62.300 0.053 0.000 1.035 117 V CB -0.322 31.561 31.823 0.100 0.000 0.658 117 V HN 0.253 nan 8.190 nan 0.000 0.452 118 I N -0.006 120.552 120.570 -0.020 0.000 2.252 118 I HA -0.197 3.972 4.170 -0.000 0.000 0.245 118 I C 2.264 178.371 176.117 -0.016 0.000 1.102 118 I CA 1.473 62.756 61.300 -0.029 0.000 1.385 118 I CB -0.442 37.539 38.000 -0.032 0.000 1.064 118 I HN 0.304 nan 8.210 nan 0.000 0.414 119 D N 0.530 120.929 120.400 -0.001 0.000 2.144 119 D HA -0.220 4.420 4.640 -0.000 0.000 0.199 119 D C 2.003 178.301 176.300 -0.003 0.000 0.984 119 D CA 1.129 55.128 54.000 -0.002 0.000 0.834 119 D CB -0.178 40.627 40.800 0.009 0.000 0.955 119 D HN 0.394 nan 8.370 nan 0.000 0.465 120 E N 0.252 120.455 120.200 0.006 0.000 2.072 120 E HA -0.124 4.225 4.350 -0.000 0.000 0.191 120 E C 2.004 178.603 176.600 -0.002 0.000 0.985 120 E CA 0.902 57.308 56.400 0.010 0.000 0.801 120 E CB 0.053 29.767 29.700 0.023 0.000 0.750 120 E HN 0.171 nan 8.360 nan 0.000 0.452 121 A N 0.786 123.598 122.820 -0.013 0.000 1.933 121 A HA -0.140 4.180 4.320 -0.000 0.000 0.218 121 A C 2.138 179.666 177.584 -0.093 0.000 1.175 121 A CA 0.953 52.963 52.037 -0.045 0.000 0.628 121 A CB -0.547 18.424 19.000 -0.048 0.000 0.814 121 A HN 0.258 nan 8.150 nan 0.000 0.444 122 L N -0.968 120.213 121.223 -0.070 0.000 2.093 122 L HA -0.159 4.181 4.340 -0.000 0.000 0.208 122 L C 3.031 179.866 176.870 -0.058 0.000 1.085 122 L CA 1.001 55.795 54.840 -0.077 0.000 0.755 122 L CB -0.466 41.562 42.059 -0.052 0.000 0.904 122 L HN 0.434 nan 8.230 nan 0.000 0.435 123 A N -0.488 122.312 122.820 -0.033 0.000 1.929 123 A HA -0.203 4.116 4.320 -0.000 0.000 0.216 123 A C 2.290 179.871 177.584 -0.004 0.000 1.176 123 A CA 1.400 53.429 52.037 -0.014 0.000 0.628 123 A CB -0.376 18.622 19.000 -0.003 0.000 0.816 123 A HN 0.438 nan 8.150 nan 0.000 0.444 124 E N 0.422 120.621 120.200 -0.003 0.000 2.152 124 E HA -0.143 4.207 4.350 -0.000 0.000 0.192 124 E C 1.954 178.586 176.600 0.053 0.000 0.983 124 E CA 1.504 57.925 56.400 0.035 0.000 0.818 124 E CB -0.023 29.710 29.700 0.056 0.000 0.758 124 E HN 0.708 nan 8.360 nan 0.000 0.467 125 S N -1.646 114.016 115.700 -0.063 0.000 2.492 125 S HA 0.228 4.698 4.470 -0.000 0.000 0.218 125 S C 1.612 176.190 174.600 -0.036 0.000 1.016 125 S CA 0.568 58.694 58.200 -0.123 0.000 0.916 125 S CB 0.703 63.511 63.200 -0.653 0.000 0.791 125 S HN 0.440 nan 8.310 nan 0.000 0.513 126 G N 1.241 110.017 108.800 -0.041 0.000 2.179 126 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.260 126 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.260 126 G C 0.354 175.228 174.900 -0.042 0.000 0.977 126 G CA 0.102 45.189 45.100 -0.022 0.000 0.641 126 G HN 1.259 nan 8.290 nan 0.000 0.533 127 A N -0.171 122.601 122.820 -0.081 0.000 2.346 127 A HA 0.576 4.895 4.320 -0.000 0.000 0.252 127 A C 1.096 178.643 177.584 -0.062 0.000 1.089 127 A CA 0.744 52.734 52.037 -0.078 0.000 0.797 127 A CB 0.361 19.290 19.000 -0.119 0.000 1.047 127 A HN 0.165 nan 8.150 nan 0.000 0.494 128 D N -0.233 120.135 120.400 -0.052 0.000 2.366 128 D HA 0.132 4.772 4.640 -0.000 0.000 0.205 128 D C 0.151 176.422 176.300 -0.049 0.000 1.022 128 D CA 1.070 55.042 54.000 -0.046 0.000 0.868 128 D CB 0.382 41.157 40.800 -0.041 0.000 0.953 128 D HN 0.507 nan 8.370 nan 0.000 0.514 129 K N -0.150 120.218 120.400 -0.053 0.000 2.522 129 K HA 0.476 4.796 4.320 -0.000 0.000 0.275 129 K C -0.837 175.735 176.600 -0.047 0.000 1.006 129 K CA -0.853 55.404 56.287 -0.050 0.000 0.890 129 K CB 3.268 35.735 32.500 -0.055 0.000 1.475 129 K HN -0.208 nan 8.250 nan 0.000 0.441 130 V N -2.442 117.450 119.914 -0.036 0.000 3.126 130 V HA 0.607 4.727 4.120 -0.000 0.000 0.314 130 V C -1.197 174.901 176.094 0.007 0.000 1.138 130 V CA -0.851 61.433 62.300 -0.027 0.000 1.034 130 V CB 2.051 33.848 31.823 -0.044 0.000 1.075 130 V HN 0.593 nan 8.190 nan 0.000 0.442 131 D N 1.818 122.234 120.400 0.026 0.000 2.192 131 D HA 0.661 5.301 4.640 -0.000 0.000 0.246 131 D C -0.726 175.580 176.300 0.010 0.000 1.042 131 D CA 0.041 54.082 54.000 0.068 0.000 0.847 131 D CB 2.108 42.969 40.800 0.100 0.000 1.186 131 D HN 0.564 nan 8.370 nan 0.000 0.461 132 L N 1.380 122.609 121.223 0.010 0.000 2.346 132 L HA 0.596 4.936 4.340 -0.000 0.000 0.276 132 L C -0.507 176.339 176.870 -0.040 0.000 1.006 132 L CA -1.048 53.758 54.840 -0.057 0.000 0.817 132 L CB 2.085 44.098 42.059 -0.077 0.000 1.272 132 L HN -0.039 nan 8.230 nan 0.000 0.421 133 V N 1.352 121.208 119.914 -0.096 0.000 2.638 133 V HA 0.774 4.894 4.120 -0.000 0.000 0.306 133 V C 0.171 176.176 176.094 -0.149 0.000 1.052 133 V CA -0.462 61.812 62.300 -0.043 0.000 0.885 133 V CB 1.864 33.705 31.823 0.030 0.000 0.999 133 V HN 0.893 nan 8.190 nan 0.000 0.424 134 G N 1.562 110.301 108.800 -0.101 0.000 2.519 134 G HA2 0.641 4.601 3.960 -0.000 0.000 0.307 134 G HA3 0.641 4.601 3.960 -0.000 0.000 0.307 134 G C -1.573 173.337 174.900 0.015 0.000 1.266 134 G CA -0.459 44.527 45.100 -0.191 0.000 0.970 134 G HN 0.799 nan 8.290 nan 0.000 0.481 135 H N 1.056 120.058 119.070 -0.114 0.000 2.589 135 H HA 0.520 5.076 4.556 -0.000 0.000 0.351 135 H C 0.721 176.107 175.328 0.097 0.000 1.074 135 H CA 0.217 56.297 56.048 0.052 0.000 1.203 135 H CB 1.751 31.617 29.762 0.174 0.000 1.558 135 H HN 1.201 nan 8.280 nan 0.000 0.522 136 A N 4.367 127.085 122.820 -0.171 0.000 5.236 136 A HA -0.404 3.916 4.320 -0.000 0.000 0.326 136 A C 1.746 179.485 177.584 0.258 0.000 1.825 136 A CA 1.998 54.051 52.037 0.026 0.000 0.710 136 A CB -1.760 17.167 19.000 -0.121 0.000 1.383 136 A HN 0.838 nan 8.150 nan 0.000 0.386 137 M N 0.223 119.978 119.600 0.259 0.000 2.279 137 M HA -0.012 4.468 4.480 -0.000 0.000 0.264 137 M C 1.830 178.355 176.300 0.375 0.000 1.062 137 M CA 2.580 58.102 55.300 0.370 0.000 1.099 137 M CB -0.597 32.174 32.600 0.285 0.000 1.394 137 M HN 0.992 nan 8.290 nan 0.000 0.426 138 G N -0.448 108.456 108.800 0.174 0.000 2.462 138 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.220 138 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.220 138 G C 1.437 176.374 174.900 0.062 0.000 1.121 138 G CA 1.434 46.531 45.100 -0.004 0.000 0.758 138 G HN 0.626 nan 8.290 nan 0.000 0.559 139 T N -1.618 113.009 114.554 0.122 0.000 2.857 139 T HA -0.006 4.344 4.350 -0.000 0.000 0.266 139 T C 2.083 176.821 174.700 0.063 0.000 1.048 139 T CA 0.848 62.972 62.100 0.040 0.000 1.139 139 T CB -0.441 68.403 68.868 -0.041 0.000 0.874 139 T HN 0.170 nan 8.240 nan 0.000 0.455 140 F N 0.467 120.513 119.950 0.160 0.000 2.186 140 F HA 0.156 4.683 4.527 -0.000 0.000 0.299 140 F C 2.096 178.051 175.800 0.257 0.000 1.090 140 F CA 0.832 58.947 58.000 0.191 0.000 1.307 140 F CB -0.634 38.496 39.000 0.216 0.000 1.019 140 F HN 0.129 nan 8.300 nan 0.000 0.489 141 F N 0.558 120.690 119.950 0.304 0.000 2.095 141 F HA -0.229 4.298 4.527 -0.000 0.000 0.298 141 F C 2.049 177.876 175.800 0.046 0.000 1.104 141 F CA 1.616 59.716 58.000 0.167 0.000 1.232 141 F CB -0.341 38.489 39.000 -0.283 0.000 0.987 141 F HN -0.164 nan 8.300 nan 0.000 0.475 142 L N -0.652 120.735 121.223 0.273 0.000 2.093 142 L HA -0.187 4.153 4.340 -0.000 0.000 0.208 142 L C 2.292 179.192 176.870 0.050 0.000 1.085 142 L CA 0.679 55.582 54.840 0.105 0.000 0.755 142 L CB -0.624 41.436 42.059 0.002 0.000 0.904 142 L HN 0.045 nan 8.230 nan 0.000 0.435 143 V N -0.178 119.765 119.914 0.048 0.000 2.343 143 V HA -0.284 3.836 4.120 -0.000 0.000 0.247 143 V C 2.644 178.753 176.094 0.025 0.000 1.051 143 V CA 1.763 64.073 62.300 0.016 0.000 1.036 143 V CB -0.641 31.176 31.823 -0.010 0.000 0.654 143 V HN 0.448 nan 8.190 nan 0.000 0.451 144 R N -1.073 119.479 120.500 0.087 0.000 2.081 144 R HA -0.218 4.122 4.340 -0.000 0.000 0.235 144 R C 2.391 178.679 176.300 -0.020 0.000 1.131 144 R CA 2.053 58.227 56.100 0.124 0.000 0.960 144 R CB -0.448 30.031 30.300 0.298 0.000 0.856 144 R HN 0.594 nan 8.270 nan 0.000 0.436 145 Y N 0.752 120.779 120.300 -0.455 0.000 2.114 145 Y HA -0.222 4.327 4.550 -0.000 0.000 0.284 145 Y C 2.040 177.658 175.900 -0.471 0.000 1.143 145 Y CA 1.848 59.359 58.100 -0.981 0.000 1.135 145 Y CB -0.460 37.344 38.460 -1.094 0.000 0.980 145 Y HN -0.156 nan 8.280 nan 0.000 0.499 146 V N 1.157 120.923 119.914 -0.246 0.000 2.392 146 V HA -0.320 3.800 4.120 -0.000 0.000 0.249 146 V C 1.814 177.774 176.094 -0.224 0.000 1.059 146 V CA 2.204 64.360 62.300 -0.240 0.000 1.051 146 V CB -0.702 31.075 31.823 -0.078 0.000 0.658 146 V HN 0.483 nan 8.190 nan 0.000 0.455 147 N N 0.359 118.969 118.700 -0.150 0.000 2.515 147 N HA -0.060 4.680 4.740 -0.000 0.000 0.185 147 N C 1.997 177.440 175.510 -0.111 0.000 1.109 147 N CA 1.182 54.172 53.050 -0.101 0.000 0.903 147 N CB 0.017 38.478 38.487 -0.043 0.000 0.969 147 N HN 0.672 nan 8.380 nan 0.000 0.450 148 S N -0.685 114.911 115.700 -0.174 0.000 2.453 148 S HA 0.009 4.478 4.470 -0.000 0.000 0.231 148 S C 0.793 175.317 174.600 -0.126 0.000 1.005 148 S CA 0.230 58.362 58.200 -0.114 0.000 0.949 148 S CB -0.013 63.144 63.200 -0.073 0.000 0.774 148 S HN 0.248 nan 8.310 nan 0.000 0.510 149 S N -0.821 114.769 115.700 -0.183 0.000 2.565 149 S HA 0.500 4.970 4.470 -0.000 0.000 0.274 149 S C -3.092 171.418 174.600 -0.149 0.000 1.144 149 S CA -1.022 57.093 58.200 -0.142 0.000 0.849 149 S CB 1.137 64.258 63.200 -0.133 0.000 1.103 149 S HN -0.056 nan 8.310 nan 0.000 0.455 150 P HA -0.026 nan 4.420 nan 0.000 0.217 150 P C 0.870 178.110 177.300 -0.101 0.000 1.150 150 P CA 1.352 64.397 63.100 -0.092 0.000 0.832 150 P CB 0.035 31.696 31.700 -0.066 0.000 0.787 151 E N -0.626 119.513 120.200 -0.102 0.000 2.106 151 E HA -0.129 4.220 4.350 -0.000 0.000 0.192 151 E C 2.085 178.610 176.600 -0.125 0.000 0.984 151 E CA 1.053 57.396 56.400 -0.095 0.000 0.806 151 E CB -0.556 29.096 29.700 -0.079 0.000 0.750 151 E HN 0.196 nan 8.360 nan 0.000 0.458 152 R N 0.219 120.599 120.500 -0.199 0.000 2.066 152 R HA 0.038 4.377 4.340 -0.000 0.000 0.232 152 R C 2.300 178.475 176.300 -0.209 0.000 1.131 152 R CA 1.240 57.166 56.100 -0.289 0.000 0.955 152 R CB -0.366 29.551 30.300 -0.638 0.000 0.851 152 R HN 0.197 nan 8.270 nan 0.000 0.432 153 A N 0.931 123.636 122.820 -0.191 0.000 2.019 153 A HA -0.070 4.250 4.320 -0.000 0.000 0.219 153 A C 2.217 179.747 177.584 -0.090 0.000 1.164 153 A CA 1.538 53.498 52.037 -0.128 0.000 0.644 153 A CB -0.483 18.448 19.000 -0.115 0.000 0.805 153 A HN 0.405 nan 8.150 nan 0.000 0.449 154 A N -0.494 122.274 122.820 -0.087 0.000 2.121 154 A HA -0.043 4.277 4.320 -0.000 0.000 0.218 154 A C 1.830 179.376 177.584 -0.062 0.000 1.154 154 A CA 1.422 53.417 52.037 -0.070 0.000 0.679 154 A CB -0.273 18.689 19.000 -0.063 0.000 0.795 154 A HN 0.515 nan 8.150 nan 0.000 0.458 155 K N -0.457 119.908 120.400 -0.059 0.000 2.387 155 K HA 0.235 4.555 4.320 -0.000 0.000 0.198 155 K C -0.712 175.863 176.600 -0.040 0.000 1.022 155 K CA -0.067 56.193 56.287 -0.045 0.000 1.128 155 K CB 0.694 33.175 32.500 -0.032 0.000 0.853 155 K HN 0.237 nan 8.250 nan 0.000 0.523 156 V N 1.142 121.027 119.914 -0.047 0.000 2.347 156 V HA 0.225 4.345 4.120 -0.000 0.000 0.280 156 V C 0.765 176.810 176.094 -0.081 0.000 1.021 156 V CA -0.371 61.904 62.300 -0.042 0.000 0.847 156 V CB 1.167 32.975 31.823 -0.025 0.000 0.990 156 V HN 0.174 nan 8.190 nan 0.000 0.444 157 A N 3.780 126.544 122.820 -0.092 0.000 1.903 157 A HA 0.160 4.480 4.320 -0.000 0.000 0.213 157 A C 0.680 177.955 177.584 -0.515 0.000 1.185 157 A CA 1.069 52.958 52.037 -0.247 0.000 0.628 157 A CB -0.088 18.823 19.000 -0.149 0.000 0.830 157 A HN 0.868 nan 8.150 nan 0.000 0.446 158 H N -3.042 116.032 119.070 0.007 0.000 2.996 158 H HA 0.620 5.176 4.556 -0.000 0.000 0.368 158 H C -1.463 173.926 175.328 0.103 0.000 1.185 158 H CA -0.631 55.467 56.048 0.083 0.000 1.160 158 H CB 1.808 31.632 29.762 0.103 0.000 1.820 158 H HN 0.235 nan 8.280 nan 0.000 0.547 159 L N 2.881 124.257 121.223 0.254 0.000 2.356 159 L HA 0.587 4.927 4.340 -0.000 0.000 0.277 159 L C -1.567 175.358 176.870 0.092 0.000 0.996 159 L CA -0.306 54.608 54.840 0.123 0.000 0.822 159 L CB 0.899 42.994 42.059 0.059 0.000 1.256 159 L HN 0.632 nan 8.230 nan 0.000 0.413 160 I N 6.306 126.900 120.570 0.041 0.000 2.406 160 I HA 0.375 4.545 4.170 -0.000 0.000 0.290 160 I C -0.919 175.168 176.117 -0.051 0.000 0.999 160 I CA -0.585 60.697 61.300 -0.029 0.000 1.124 160 I CB 1.651 39.668 38.000 0.029 0.000 1.289 160 I HN 0.467 nan 8.210 nan 0.000 0.441 161 L N 7.549 128.702 121.223 -0.117 0.000 2.318 161 L HA 0.504 4.843 4.340 -0.000 0.000 0.277 161 L C -0.708 176.059 176.870 -0.171 0.000 1.008 161 L CA -0.465 54.304 54.840 -0.118 0.000 0.846 161 L CB 1.165 43.142 42.059 -0.136 0.000 1.220 161 L HN 0.417 nan 8.230 nan 0.000 0.423 162 L N 3.208 124.407 121.223 -0.040 0.000 2.262 162 L HA 0.309 4.648 4.340 -0.000 0.000 0.288 162 L C 0.067 176.999 176.870 0.104 0.000 1.035 162 L CA -0.537 54.306 54.840 0.005 0.000 0.820 162 L CB 0.953 43.105 42.059 0.154 0.000 1.204 162 L HN 0.579 nan 8.230 nan 0.000 0.424 163 D N 2.732 123.119 120.400 -0.021 0.000 2.740 163 D HA -0.163 4.477 4.640 -0.000 0.000 0.231 163 D C 0.441 176.953 176.300 0.354 0.000 1.194 163 D CA 1.300 55.435 54.000 0.225 0.000 0.673 163 D CB -0.212 40.807 40.800 0.364 0.000 0.995 163 D HN 0.874 nan 8.370 nan 0.000 0.411 164 G N -1.269 107.720 108.800 0.314 0.000 3.324 164 G HA2 0.373 4.333 3.960 -0.000 0.000 0.188 164 G HA3 0.373 4.333 3.960 -0.000 0.000 0.188 164 G C -0.149 175.002 174.900 0.418 0.000 1.384 164 G CA 0.041 45.364 45.100 0.372 0.000 0.841 164 G HN 0.502 nan 8.290 nan 0.000 0.758 165 V N 2.440 122.338 119.914 -0.027 0.000 2.901 165 V HA 0.488 4.608 4.120 -0.000 0.000 0.307 165 V C -0.367 175.872 176.094 0.242 0.000 1.084 165 V CA 0.332 62.465 62.300 -0.277 0.000 1.184 165 V CB 0.193 31.497 31.823 -0.866 0.000 0.941 165 V HN 0.650 nan 8.190 nan 0.000 0.493 166 W N 3.819 125.156 121.300 0.063 0.000 3.066 166 W HA 0.589 5.249 4.660 -0.000 0.000 0.330 166 W C 0.318 176.857 176.519 0.033 0.000 1.253 166 W CA -0.736 56.647 57.345 0.064 0.000 1.187 166 W CB 0.766 30.177 29.460 -0.082 0.000 1.434 166 W HN 1.363 nan 8.180 nan 0.000 0.572 167 G N 0.375 109.327 108.800 0.254 0.000 2.160 167 G HA2 0.020 3.980 3.960 -0.000 0.000 0.251 167 G HA3 0.020 3.980 3.960 -0.000 0.000 0.251 167 G C -0.522 174.474 174.900 0.160 0.000 1.008 167 G CA 0.602 45.817 45.100 0.193 0.000 0.724 167 G HN 1.598 nan 8.290 nan 0.000 0.514 168 V N -4.349 115.656 119.914 0.152 0.000 3.158 168 V HA 0.893 5.013 4.120 -0.000 0.000 0.311 168 V C -0.423 175.802 176.094 0.218 0.000 1.181 168 V CA -1.507 60.877 62.300 0.140 0.000 1.054 168 V CB 2.065 33.904 31.823 0.027 0.000 1.085 168 V HN -0.009 nan 8.190 nan 0.000 0.446 169 D N 1.385 121.883 120.400 0.163 0.000 2.225 169 D HA 0.678 5.318 4.640 -0.000 0.000 0.249 169 D C 0.395 176.749 176.300 0.090 0.000 1.052 169 D CA 0.373 54.469 54.000 0.160 0.000 0.909 169 D CB 1.770 42.631 40.800 0.102 0.000 1.186 169 D HN 1.102 nan 8.370 nan 0.000 0.431 170 A N 2.448 125.319 122.820 0.085 0.000 2.406 170 A HA 0.408 4.727 4.320 -0.000 0.000 0.243 170 A C -2.111 175.492 177.584 0.033 0.000 1.082 170 A CA -0.878 51.188 52.037 0.048 0.000 0.786 170 A CB -0.405 18.625 19.000 0.050 0.000 1.029 170 A HN 0.356 nan 8.150 nan 0.000 0.495 171 P HA 0.075 nan 4.420 nan 0.000 0.265 171 P C -0.179 177.123 177.300 0.003 0.000 1.193 171 P CA 0.064 63.164 63.100 0.001 0.000 0.765 171 P CB 0.360 32.052 31.700 -0.013 0.000 0.823 172 E N 2.284 122.482 120.200 -0.004 0.000 2.558 172 E HA 0.058 4.408 4.350 -0.000 0.000 0.255 172 E C 1.137 177.730 176.600 -0.012 0.000 0.968 172 E CA 0.922 57.320 56.400 -0.004 0.000 0.939 172 E CB -0.315 29.379 29.700 -0.011 0.000 0.921 172 E HN 0.784 nan 8.360 nan 0.000 0.477 173 G N 4.262 113.058 108.800 -0.006 0.000 2.168 173 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.257 173 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.257 173 G C 0.146 175.031 174.900 -0.026 0.000 0.997 173 G CA 0.432 45.522 45.100 -0.016 0.000 0.708 173 G HN 0.536 nan 8.290 nan 0.000 0.520 174 I N 0.731 121.294 120.570 -0.013 0.000 2.418 174 I HA 0.279 4.449 4.170 -0.000 0.000 0.287 174 I C -2.269 173.864 176.117 0.025 0.000 1.008 174 I CA -2.470 58.819 61.300 -0.019 0.000 1.104 174 I CB 2.203 40.194 38.000 -0.016 0.000 1.264 174 I HN -0.198 nan 8.210 nan 0.000 0.438 175 P HA 0.075 nan 4.420 nan 0.000 0.262 175 P C -0.801 176.691 177.300 0.319 0.000 1.199 175 P CA 0.370 63.560 63.100 0.150 0.000 0.763 175 P CB 0.388 32.099 31.700 0.019 0.000 0.790 176 T N 3.855 118.593 114.554 0.305 0.000 2.876 176 T HA 0.597 4.947 4.350 -0.000 0.000 0.289 176 T C -0.838 173.799 174.700 -0.105 0.000 1.014 176 T CA -0.473 61.714 62.100 0.145 0.000 0.986 176 T CB 1.122 70.019 68.868 0.049 0.000 1.021 176 T HN 0.136 nan 8.240 nan 0.000 0.458 177 L N 2.495 123.477 121.223 -0.400 0.000 2.385 177 L HA 0.894 5.234 4.340 -0.000 0.000 0.273 177 L C -1.060 175.566 176.870 -0.406 0.000 0.990 177 L CA -0.574 53.858 54.840 -0.681 0.000 0.821 177 L CB 1.297 42.583 42.059 -1.288 0.000 1.279 177 L HN 0.791 nan 8.230 nan 0.000 0.412 178 A N 4.680 127.270 122.820 -0.383 0.000 2.355 178 A HA 0.847 5.167 4.320 -0.000 0.000 0.317 178 A C -1.464 175.753 177.584 -0.611 0.000 1.094 178 A CA -0.543 51.218 52.037 -0.460 0.000 0.764 178 A CB 1.645 20.458 19.000 -0.311 0.000 1.230 178 A HN 0.567 nan 8.150 nan 0.000 0.448 179 V N 2.551 122.038 119.914 -0.712 0.000 2.483 179 V HA 0.562 4.682 4.120 -0.000 0.000 0.297 179 V C -1.226 174.474 176.094 -0.656 0.000 1.027 179 V CA -0.281 61.678 62.300 -0.568 0.000 0.855 179 V CB 1.027 32.700 31.823 -0.250 0.000 0.995 179 V HN 0.736 nan 8.190 nan 0.000 0.424 180 F N 2.069 121.918 119.950 -0.169 0.000 2.522 180 F HA 0.856 5.383 4.527 -0.000 0.000 0.324 180 F C 0.900 176.771 175.800 0.118 0.000 1.077 180 F CA -0.336 57.673 58.000 0.015 0.000 0.944 180 F CB 2.162 41.188 39.000 0.043 0.000 1.175 180 F HN 0.612 nan 8.300 nan 0.000 0.468 181 G N 0.327 109.347 108.800 0.366 0.000 2.890 181 G HA2 0.296 4.256 3.960 -0.000 0.000 0.189 181 G HA3 0.296 4.256 3.960 -0.000 0.000 0.189 181 G C -1.157 173.892 174.900 0.249 0.000 1.342 181 G CA -0.528 44.756 45.100 0.307 0.000 1.026 181 G HN 0.507 nan 8.290 nan 0.000 0.579 182 N N -0.111 118.706 118.700 0.195 0.000 2.733 182 N HA 0.346 5.086 4.740 -0.000 0.000 0.271 182 N C -1.979 173.602 175.510 0.118 0.000 1.720 182 N CA -1.482 51.645 53.050 0.127 0.000 0.803 182 N CB 1.638 40.182 38.487 0.096 0.000 1.208 182 N HN -0.028 nan 8.380 nan 0.000 0.498 183 P HA -0.056 nan 4.420 nan 0.000 0.219 183 P C 0.794 178.147 177.300 0.088 0.000 1.146 183 P CA 0.974 64.158 63.100 0.139 0.000 0.808 183 P CB 0.470 32.263 31.700 0.156 0.000 0.779 184 K N -0.897 119.539 120.400 0.061 0.000 2.444 184 K HA 0.388 4.708 4.320 -0.000 0.000 0.193 184 K C 0.657 177.274 176.600 0.028 0.000 1.024 184 K CA 0.321 56.630 56.287 0.037 0.000 1.077 184 K CB -0.853 31.659 32.500 0.019 0.000 0.833 184 K HN -0.025 nan 8.250 nan 0.000 0.517 185 A N 0.572 123.411 122.820 0.032 0.000 2.745 185 A HA -0.197 4.123 4.320 -0.000 0.000 0.296 185 A C -0.152 177.436 177.584 0.007 0.000 1.500 185 A CA 0.421 52.467 52.037 0.016 0.000 0.766 185 A CB -2.290 16.713 19.000 0.005 0.000 1.030 185 A HN 0.214 nan 8.150 nan 0.000 0.489 186 L N -0.043 121.182 121.223 0.004 0.000 2.397 186 L HA 0.197 4.537 4.340 -0.000 0.000 0.271 186 L C -0.231 176.635 176.870 -0.008 0.000 1.148 186 L CA -1.006 53.830 54.840 -0.007 0.000 0.825 186 L CB 0.542 42.587 42.059 -0.023 0.000 1.117 186 L HN 0.296 nan 8.230 nan 0.000 0.456 187 P HA -0.056 nan 4.420 nan 0.000 0.231 187 P C 0.299 177.590 177.300 -0.014 0.000 1.168 187 P CA 0.353 63.450 63.100 -0.005 0.000 0.779 187 P CB 0.366 32.067 31.700 0.001 0.000 0.844 188 A N 1.995 124.799 122.820 -0.027 0.000 2.666 188 A HA 0.285 4.605 4.320 -0.000 0.000 0.301 188 A C 0.917 178.467 177.584 -0.056 0.000 1.470 188 A CA -0.477 51.534 52.037 -0.042 0.000 1.159 188 A CB -1.316 17.651 19.000 -0.055 0.000 1.116 188 A HN 0.263 nan 8.150 nan 0.000 0.548 189 L N 2.301 123.497 121.223 -0.045 0.000 2.727 189 L HA 0.474 4.813 4.340 -0.000 0.000 0.237 189 L C 0.838 177.659 176.870 -0.081 0.000 1.370 189 L CA -0.600 54.208 54.840 -0.053 0.000 1.248 189 L CB -0.945 41.101 42.059 -0.021 0.000 1.556 189 L HN 0.521 nan 8.230 nan 0.000 0.420 190 G N 0.445 109.177 108.800 -0.113 0.000 2.855 190 G HA2 0.158 4.118 3.960 -0.000 0.000 0.248 190 G HA3 0.158 4.118 3.960 -0.000 0.000 0.248 190 G C 0.709 175.518 174.900 -0.151 0.000 1.243 190 G CA -0.285 44.739 45.100 -0.127 0.000 0.881 190 G HN 0.509 nan 8.290 nan 0.000 0.598 191 L N 0.542 121.690 121.223 -0.124 0.000 2.276 191 L HA 0.234 4.574 4.340 -0.000 0.000 0.194 191 L C -1.101 175.684 176.870 -0.142 0.000 1.099 191 L CA -0.102 54.672 54.840 -0.110 0.000 0.800 191 L CB -1.112 40.910 42.059 -0.062 0.000 0.994 191 L HN 0.347 nan 8.230 nan 0.000 0.475 192 P HA 0.220 nan 4.420 nan 0.000 0.291 192 P C -0.864 176.330 177.300 -0.178 0.000 1.378 192 P CA -0.117 62.915 63.100 -0.113 0.000 0.853 192 P CB 1.076 32.742 31.700 -0.057 0.000 1.002 193 E N 2.312 122.341 120.200 -0.285 0.000 2.374 193 E HA 0.026 4.376 4.350 -0.000 0.000 0.260 193 E C 1.097 177.532 176.600 -0.274 0.000 1.101 193 E CA -0.345 55.831 56.400 -0.373 0.000 0.907 193 E CB 1.207 30.471 29.700 -0.727 0.000 1.014 193 E HN 0.426 nan 8.360 nan 0.000 0.427 194 E N 0.997 121.010 120.200 -0.312 0.000 2.268 194 E HA -0.079 4.271 4.350 -0.000 0.000 0.195 194 E C -0.120 176.184 176.600 -0.493 0.000 0.995 194 E CA 1.134 57.329 56.400 -0.341 0.000 0.836 194 E CB 0.149 29.619 29.700 -0.383 0.000 0.763 194 E HN 0.282 nan 8.360 nan 0.000 0.491 195 K N 0.408 120.473 120.400 -0.559 0.000 2.345 195 K HA 0.540 4.860 4.320 -0.000 0.000 0.255 195 K C -0.920 175.423 176.600 -0.429 0.000 0.934 195 K CA -0.475 55.391 56.287 -0.702 0.000 0.801 195 K CB 2.902 34.571 32.500 -1.384 0.000 1.137 195 K HN -0.249 nan 8.250 nan 0.000 0.424 196 V N 1.645 121.434 119.914 -0.207 0.000 3.048 196 V HA 0.326 4.446 4.120 -0.000 0.000 0.303 196 V C -1.102 174.904 176.094 -0.147 0.000 1.214 196 V CA -1.050 61.172 62.300 -0.131 0.000 0.984 196 V CB 2.287 33.935 31.823 -0.291 0.000 1.054 196 V HN 0.443 nan 8.190 nan 0.000 0.430 197 V N 3.164 123.037 119.914 -0.069 0.000 2.350 197 V HA 0.444 4.563 4.120 -0.000 0.000 0.285 197 V C -0.829 175.181 176.094 -0.140 0.000 1.014 197 V CA -0.659 61.611 62.300 -0.050 0.000 0.831 197 V CB 1.244 33.111 31.823 0.074 0.000 1.000 197 V HN 0.736 nan 8.190 nan 0.000 0.433 198 Y N 3.768 124.123 120.300 0.091 0.000 2.497 198 Y HA 0.120 4.670 4.550 -0.000 0.000 0.334 198 Y C 1.425 177.356 175.900 0.052 0.000 1.199 198 Y CA 0.627 58.768 58.100 0.068 0.000 1.425 198 Y CB -0.066 38.428 38.460 0.056 0.000 1.291 198 Y HN 0.842 nan 8.280 nan 0.000 0.562 199 N N -1.330 117.492 118.700 0.203 0.000 2.878 199 N HA -0.206 4.533 4.740 -0.000 0.000 0.247 199 N C -0.699 174.866 175.510 0.092 0.000 1.021 199 N CA 0.265 53.392 53.050 0.128 0.000 0.873 199 N CB -0.856 37.698 38.487 0.112 0.000 1.128 199 N HN 0.646 nan 8.380 nan 0.000 0.571 200 A N -0.297 122.563 122.820 0.067 0.000 2.387 200 A HA 0.757 5.077 4.320 -0.000 0.000 0.303 200 A C 0.126 177.712 177.584 0.002 0.000 1.145 200 A CA -0.306 51.748 52.037 0.029 0.000 0.801 200 A CB 1.201 20.189 19.000 -0.020 0.000 1.342 200 A HN 0.029 nan 8.150 nan 0.000 0.440 201 T N 2.328 116.854 114.554 -0.047 0.000 2.832 201 T HA 0.315 4.664 4.350 -0.000 0.000 0.296 201 T C -0.237 174.358 174.700 -0.175 0.000 0.968 201 T CA -0.105 61.947 62.100 -0.080 0.000 1.107 201 T CB -0.146 68.664 68.868 -0.095 0.000 0.916 201 T HN 0.535 nan 8.240 nan 0.000 0.517 202 N N 2.321 120.931 118.700 -0.150 0.000 2.372 202 N HA 0.521 5.261 4.740 -0.000 0.000 0.285 202 N C -1.275 173.989 175.510 -0.410 0.000 1.008 202 N CA -0.436 52.452 53.050 -0.271 0.000 0.880 202 N CB 2.421 40.829 38.487 -0.131 0.000 1.239 202 N HN 0.241 nan 8.380 nan 0.000 0.484 203 V N 2.811 122.354 119.914 -0.620 0.000 2.735 203 V HA 0.483 4.602 4.120 -0.000 0.000 0.310 203 V C -1.304 174.274 176.094 -0.860 0.000 1.061 203 V CA -0.609 61.327 62.300 -0.607 0.000 0.913 203 V CB 1.461 32.986 31.823 -0.496 0.000 1.005 203 V HN 0.522 nan 8.190 nan 0.000 0.428 204 Y N 3.412 123.476 120.300 -0.393 0.000 2.391 204 Y HA 0.670 5.220 4.550 -0.000 0.000 0.341 204 Y C -0.714 174.937 175.900 -0.416 0.000 0.965 204 Y CA -0.871 57.065 58.100 -0.274 0.000 1.067 204 Y CB 1.897 40.300 38.460 -0.094 0.000 1.199 204 Y HN 0.493 nan 8.280 nan 0.000 0.450 205 F N 2.814 122.869 119.950 0.175 0.000 2.443 205 F HA 0.367 4.894 4.527 -0.000 0.000 0.369 205 F C 0.653 176.523 175.800 0.116 0.000 1.090 205 F CA -1.349 56.715 58.000 0.107 0.000 1.129 205 F CB 0.690 39.726 39.000 0.060 0.000 1.367 205 F HN 0.527 nan 8.300 nan 0.000 0.465 206 N N 1.653 120.499 118.700 0.244 0.000 2.521 206 N HA -0.095 4.645 4.740 -0.000 0.000 0.188 206 N C 0.881 176.467 175.510 0.127 0.000 1.146 206 N CA 0.367 53.512 53.050 0.158 0.000 0.893 206 N CB 0.020 38.561 38.487 0.090 0.000 0.975 206 N HN 0.505 nan 8.380 nan 0.000 0.451 207 N N -0.183 118.603 118.700 0.143 0.000 2.214 207 N HA 0.071 4.811 4.740 -0.000 0.000 0.214 207 N C -0.068 175.495 175.510 0.087 0.000 1.132 207 N CA -0.011 53.093 53.050 0.089 0.000 0.856 207 N CB 0.252 38.779 38.487 0.067 0.000 1.020 207 N HN 0.069 nan 8.380 nan 0.000 0.509 208 M N 0.843 120.521 119.600 0.131 0.000 2.436 208 M HA 0.296 4.776 4.480 -0.000 0.000 0.331 208 M C 0.084 176.472 176.300 0.147 0.000 1.135 208 M CA -0.650 54.721 55.300 0.118 0.000 0.987 208 M CB 2.148 34.818 32.600 0.117 0.000 1.687 208 M HN 0.037 nan 8.290 nan 0.000 0.445 209 T N -3.031 111.607 114.554 0.140 0.000 2.810 209 T HA 0.193 4.543 4.350 -0.000 0.000 0.277 209 T C 0.888 175.745 174.700 0.261 0.000 0.973 209 T CA -0.302 61.912 62.100 0.190 0.000 0.949 209 T CB 0.776 69.746 68.868 0.169 0.000 1.075 209 T HN 0.748 nan 8.240 nan 0.000 0.537 210 H N -0.123 119.077 119.070 0.217 0.000 2.267 210 H HA -0.062 4.494 4.556 -0.000 0.000 0.297 210 H C 1.830 177.346 175.328 0.313 0.000 1.080 210 H CA 2.447 58.667 56.048 0.288 0.000 1.278 210 H CB -0.735 29.225 29.762 0.331 0.000 1.365 210 H HN 0.325 nan 8.280 nan 0.000 0.489 211 V N 0.618 120.636 119.914 0.173 0.000 2.488 211 V HA -0.189 3.931 4.120 -0.000 0.000 0.246 211 V C 2.517 178.586 176.094 -0.042 0.000 1.046 211 V CA 1.801 64.097 62.300 -0.007 0.000 1.053 211 V CB -0.608 31.228 31.823 0.021 0.000 0.679 211 V HN 0.513 nan 8.190 nan 0.000 0.458 212 Q N -0.218 119.608 119.800 0.044 0.000 2.112 212 Q HA -0.257 4.083 4.340 -0.000 0.000 0.206 212 Q C 2.335 178.315 176.000 -0.033 0.000 0.987 212 Q CA 1.916 57.731 55.803 0.020 0.000 0.858 212 Q CB -0.227 28.544 28.738 0.056 0.000 0.905 212 Q HN 0.529 nan 8.270 nan 0.000 0.420 213 L N 0.708 121.933 121.223 0.003 0.000 2.042 213 L HA -0.201 4.139 4.340 -0.000 0.000 0.210 213 L C 2.400 179.219 176.870 -0.084 0.000 1.076 213 L CA 1.981 56.824 54.840 0.005 0.000 0.749 213 L CB -1.639 40.491 42.059 0.119 0.000 0.893 213 L HN 0.553 nan 8.230 nan 0.000 0.432 214 C N 0.221 119.396 119.300 -0.209 0.000 2.425 214 C HA -0.141 4.319 4.460 -0.000 0.000 0.277 214 C C 2.766 177.607 174.990 -0.249 0.000 1.280 214 C CA 1.765 60.591 59.018 -0.320 0.000 1.744 214 C CB -1.036 26.235 27.740 -0.782 0.000 1.989 214 C HN 0.789 nan 8.230 nan 0.000 0.491 215 T N -2.211 112.210 114.554 -0.222 0.000 3.069 215 T HA 0.144 4.494 4.350 -0.000 0.000 0.252 215 T C 0.698 175.267 174.700 -0.218 0.000 1.053 215 T CA 0.638 62.604 62.100 -0.223 0.000 0.964 215 T CB -0.301 68.483 68.868 -0.140 0.000 1.005 215 T HN 0.418 nan 8.240 nan 0.000 0.532 216 S N 2.999 118.575 115.700 -0.207 0.000 2.562 216 S HA 0.216 4.685 4.470 -0.000 0.000 0.281 216 S C -1.087 173.301 174.600 -0.354 0.000 1.333 216 S CA -1.258 56.779 58.200 -0.271 0.000 1.052 216 S CB 1.041 64.078 63.200 -0.273 0.000 0.884 216 S HN 0.155 nan 8.310 nan 0.000 0.506 217 P HA -0.046 nan 4.420 nan 0.000 0.223 217 P C 0.731 177.853 177.300 -0.297 0.000 1.151 217 P CA 0.990 63.817 63.100 -0.456 0.000 0.787 217 P CB 0.099 31.375 31.700 -0.706 0.000 0.788 218 E N -0.354 119.619 120.200 -0.378 0.000 2.107 218 E HA -0.077 4.272 4.350 -0.000 0.000 0.191 218 E C 1.901 178.341 176.600 -0.266 0.000 0.982 218 E CA 1.297 57.482 56.400 -0.359 0.000 0.809 218 E CB -0.605 28.728 29.700 -0.612 0.000 0.756 218 E HN 0.235 nan 8.360 nan 0.000 0.459 219 T N 1.212 115.596 114.554 -0.282 0.000 2.788 219 T HA -0.159 4.191 4.350 -0.000 0.000 0.268 219 T C 1.487 176.158 174.700 -0.049 0.000 1.044 219 T CA 0.944 63.010 62.100 -0.057 0.000 1.139 219 T CB -0.350 68.485 68.868 -0.056 0.000 0.867 219 T HN 0.174 nan 8.240 nan 0.000 0.454 220 F N 2.460 122.254 119.950 -0.261 0.000 2.126 220 F HA -0.054 4.473 4.527 -0.000 0.000 0.299 220 F C 2.406 178.067 175.800 -0.231 0.000 1.096 220 F CA 1.018 58.819 58.000 -0.331 0.000 1.255 220 F CB -0.700 38.008 39.000 -0.485 0.000 0.997 220 F HN 0.143 nan 8.300 nan 0.000 0.479 221 A N -0.172 122.485 122.820 -0.272 0.000 1.933 221 A HA -0.108 4.212 4.320 -0.000 0.000 0.218 221 A C 2.308 179.775 177.584 -0.195 0.000 1.175 221 A CA 1.888 53.739 52.037 -0.311 0.000 0.628 221 A CB -1.365 17.562 19.000 -0.122 0.000 0.814 221 A HN 0.291 nan 8.150 nan 0.000 0.444 222 V N -0.025 119.841 119.914 -0.080 0.000 2.358 222 V HA -0.292 3.827 4.120 -0.000 0.000 0.246 222 V C 2.627 178.701 176.094 -0.034 0.000 1.047 222 V CA 2.138 64.430 62.300 -0.012 0.000 1.035 222 V CB -0.685 31.175 31.823 0.060 0.000 0.658 222 V HN 0.568 nan 8.190 nan 0.000 0.452 223 M N -1.333 118.216 119.600 -0.084 0.000 2.132 223 M HA -0.138 4.342 4.480 -0.000 0.000 0.263 223 M C 2.197 178.471 176.300 -0.042 0.000 1.065 223 M CA 2.019 57.309 55.300 -0.017 0.000 1.122 223 M CB -0.523 32.104 32.600 0.045 0.000 1.365 223 M HN 0.393 nan 8.290 nan 0.000 0.411 224 F N 1.391 121.073 119.950 -0.446 0.000 2.134 224 F HA -0.219 4.308 4.527 -0.000 0.000 0.299 224 F C 2.419 178.057 175.800 -0.270 0.000 1.097 224 F CA 1.959 59.700 58.000 -0.432 0.000 1.264 224 F CB -0.250 38.208 39.000 -0.905 0.000 1.001 224 F HN 0.169 nan 8.300 nan 0.000 0.479 225 E N -0.756 119.452 120.200 0.013 0.000 2.077 225 E HA -0.274 4.075 4.350 -0.000 0.000 0.193 225 E C 2.249 178.813 176.600 -0.061 0.000 0.989 225 E CA 1.371 57.767 56.400 -0.007 0.000 0.800 225 E CB -0.470 29.258 29.700 0.046 0.000 0.746 225 E HN 0.454 nan 8.360 nan 0.000 0.452 226 F N 1.693 121.541 119.950 -0.171 0.000 2.146 226 F HA -0.120 4.407 4.527 -0.000 0.000 0.298 226 F C 2.080 177.641 175.800 -0.398 0.000 1.096 226 F CA 1.638 59.522 58.000 -0.194 0.000 1.275 226 F CB -0.101 38.814 39.000 -0.142 0.000 1.008 226 F HN 0.105 nan 8.300 nan 0.000 0.480 227 I N -2.839 117.448 120.570 -0.472 0.000 3.030 227 I HA 0.003 4.172 4.170 -0.000 0.000 0.270 227 I C 1.285 177.068 176.117 -0.557 0.000 1.211 227 I CA 0.928 61.735 61.300 -0.822 0.000 1.479 227 I CB -0.440 37.323 38.000 -0.395 0.000 1.105 227 I HN 0.055 nan 8.210 nan 0.000 0.447 228 N N 1.281 119.674 118.700 -0.512 0.000 2.407 228 N HA 0.135 4.875 4.740 -0.000 0.000 0.182 228 N C 1.478 176.794 175.510 -0.323 0.000 1.079 228 N CA 1.177 53.929 53.050 -0.496 0.000 0.882 228 N CB 1.143 39.029 38.487 -1.001 0.000 1.106 228 N HN 0.559 nan 8.380 nan 0.000 0.461 229 G N 0.777 109.416 108.800 -0.269 0.000 2.157 229 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.239 229 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.239 229 G C -0.369 174.620 174.900 0.147 0.000 0.982 229 G CA 0.718 45.799 45.100 -0.032 0.000 0.650 229 G HN 0.477 nan 8.290 nan 0.000 0.527 230 Y N -1.956 118.401 120.300 0.095 0.000 2.638 230 Y HA 0.772 5.321 4.550 -0.000 0.000 0.335 230 Y C -0.102 175.942 175.900 0.240 0.000 1.155 230 Y CA -2.079 56.107 58.100 0.143 0.000 1.046 230 Y CB 0.620 39.170 38.460 0.149 0.000 1.303 230 Y HN 0.064 nan 8.280 nan 0.000 0.460 231 K N 2.937 123.513 120.400 0.293 0.000 2.237 231 K HA 0.341 4.661 4.320 -0.000 0.000 0.270 231 K C -2.482 174.189 176.600 0.120 0.000 1.015 231 K CA -1.555 54.831 56.287 0.165 0.000 0.949 231 K CB 0.424 32.978 32.500 0.090 0.000 0.976 231 K HN 0.482 nan 8.250 nan 0.000 0.472 232 P HA 0.022 nan 4.420 nan 0.000 0.274 232 P C -0.243 176.942 177.300 -0.192 0.000 1.237 232 P CA -0.118 62.611 63.100 -0.618 0.000 0.793 232 P CB 1.051 32.111 31.700 -1.067 0.000 0.977 233 A N 1.315 124.067 122.820 -0.114 0.000 2.014 233 A HA 0.060 4.380 4.320 -0.000 0.000 0.218 233 A C 1.167 178.716 177.584 -0.057 0.000 1.163 233 A CA 1.588 53.605 52.037 -0.034 0.000 0.652 233 A CB -0.557 18.448 19.000 0.009 0.000 0.808 233 A HN 0.661 nan 8.150 nan 0.000 0.449 234 T N -3.180 111.318 114.554 -0.094 0.000 2.840 234 T HA 0.413 4.763 4.350 -0.000 0.000 0.317 234 T C 0.314 174.947 174.700 -0.112 0.000 1.401 234 T CA 0.326 62.373 62.100 -0.090 0.000 1.028 234 T CB 1.488 70.305 68.868 -0.085 0.000 1.317 234 T HN 0.313 nan 8.240 nan 0.000 0.495 235 T N -0.917 113.558 114.554 -0.132 0.000 3.040 235 T HA 0.351 4.701 4.350 -0.000 0.000 0.266 235 T C -0.078 174.437 174.700 -0.308 0.000 1.005 235 T CA -0.348 61.629 62.100 -0.205 0.000 0.906 235 T CB 0.044 68.824 68.868 -0.146 0.000 1.082 235 T HN 0.458 nan 8.240 nan 0.000 0.531 236 D N 1.518 121.789 120.400 -0.214 0.000 2.329 236 D HA 0.332 4.971 4.640 -0.000 0.000 0.246 236 D C 0.025 176.202 176.300 -0.205 0.000 1.111 236 D CA -0.565 53.331 54.000 -0.172 0.000 0.941 236 D CB 1.255 42.000 40.800 -0.092 0.000 1.169 236 D HN 0.308 nan 8.370 nan 0.000 0.441 237 I N 1.823 122.299 120.570 -0.157 0.000 2.256 237 I HA 0.032 4.201 4.170 -0.000 0.000 0.294 237 I C -0.184 175.889 176.117 -0.075 0.000 1.127 237 I CA -0.491 60.725 61.300 -0.140 0.000 1.247 237 I CB 0.468 38.401 38.000 -0.111 0.000 1.460 237 I HN -0.111 nan 8.210 nan 0.000 0.511 238 V N 8.521 128.391 119.914 -0.073 0.000 2.508 238 V HA 0.144 4.264 4.120 -0.000 0.000 0.281 238 V C -1.961 174.128 176.094 -0.008 0.000 1.041 238 V CA -1.460 60.818 62.300 -0.037 0.000 1.016 238 V CB 0.338 32.139 31.823 -0.036 0.000 0.984 238 V HN 0.523 nan 8.190 nan 0.000 0.478 239 P HA 0.155 nan 4.420 nan 0.000 0.268 239 P C -0.296 177.019 177.300 0.025 0.000 1.204 239 P CA -0.036 63.078 63.100 0.022 0.000 0.768 239 P CB 0.427 32.137 31.700 0.018 0.000 0.842 240 Q N 1.341 121.164 119.800 0.038 0.000 2.316 240 Q HA 0.253 4.592 4.340 -0.000 0.000 0.215 240 Q C -0.199 175.821 176.000 0.035 0.000 1.020 240 Q CA -0.617 55.210 55.803 0.039 0.000 0.970 240 Q CB 0.495 29.262 28.738 0.049 0.000 1.187 240 Q HN 0.424 nan 8.270 nan 0.000 0.546 241 D N -0.454 119.967 120.400 0.035 0.000 2.294 241 D HA 0.531 5.171 4.640 -0.000 0.000 0.250 241 D C 0.145 176.468 176.300 0.038 0.000 1.058 241 D CA 0.332 54.350 54.000 0.030 0.000 0.950 241 D CB 1.272 42.089 40.800 0.029 0.000 1.158 241 D HN 0.735 nan 8.370 nan 0.000 0.453 242 G N 0.853 109.673 108.800 0.033 0.000 2.650 242 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.686 242 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.686 242 G C -0.106 174.802 174.900 0.015 0.000 1.205 242 G CA -0.665 44.462 45.100 0.046 0.000 0.781 242 G HN 0.346 nan 8.290 nan 0.000 0.648 243 D N -0.444 119.943 120.400 -0.022 0.000 2.277 243 D HA 0.149 4.788 4.640 -0.000 0.000 0.208 243 D C 0.706 176.792 176.300 -0.355 0.000 0.962 243 D CA 1.442 55.312 54.000 -0.217 0.000 0.865 243 D CB 0.058 40.628 40.800 -0.384 0.000 0.939 243 D HN 0.425 nan 8.370 nan 0.000 0.510 244 Y N -0.692 119.642 120.300 0.057 0.000 2.528 244 Y HA 0.465 5.015 4.550 -0.000 0.000 0.335 244 Y C 0.297 176.223 175.900 0.044 0.000 1.093 244 Y CA -1.382 56.754 58.100 0.058 0.000 1.134 244 Y CB 1.759 40.242 38.460 0.038 0.000 1.253 244 Y HN -0.329 nan 8.280 nan 0.000 0.478 245 V N -0.941 119.096 119.914 0.205 0.000 2.962 245 V HA 0.618 4.738 4.120 -0.000 0.000 0.313 245 V C -1.103 174.993 176.094 0.003 0.000 1.099 245 V CA -1.503 60.847 62.300 0.084 0.000 0.971 245 V CB 1.876 33.739 31.823 0.068 0.000 1.028 245 V HN 0.735 nan 8.190 nan 0.000 0.430 246 K N 2.130 122.493 120.400 -0.063 0.000 2.211 246 K HA 0.739 5.058 4.320 -0.000 0.000 0.275 246 K C -1.449 175.010 176.600 -0.235 0.000 1.024 246 K CA -0.504 55.707 56.287 -0.126 0.000 0.887 246 K CB 1.699 34.130 32.500 -0.115 0.000 1.084 246 K HN 0.717 nan 8.250 nan 0.000 0.463 247 V N 5.086 124.835 119.914 -0.275 0.000 2.487 247 V HA 0.338 4.458 4.120 -0.000 0.000 0.298 247 V C -0.728 175.160 176.094 -0.343 0.000 1.028 247 V CA -0.839 61.233 62.300 -0.380 0.000 0.860 247 V CB 1.617 33.138 31.823 -0.505 0.000 0.991 247 V HN 0.763 nan 8.190 nan 0.000 0.427 248 K N 3.131 123.280 120.400 -0.418 0.000 2.323 248 K HA 0.773 5.093 4.320 -0.000 0.000 0.259 248 K C 0.085 176.350 176.600 -0.558 0.000 0.947 248 K CA -0.369 55.632 56.287 -0.475 0.000 0.819 248 K CB 2.364 34.622 32.500 -0.404 0.000 1.109 248 K HN 0.887 nan 8.250 nan 0.000 0.429 249 G N 1.611 109.859 108.800 -0.919 0.000 2.949 249 G HA2 0.609 4.569 3.960 -0.000 0.000 0.285 249 G HA3 0.609 4.569 3.960 -0.000 0.000 0.285 249 G C -1.650 172.890 174.900 -0.600 0.000 1.395 249 G CA -0.517 44.142 45.100 -0.735 0.000 0.901 249 G HN 0.426 nan 8.290 nan 0.000 0.519 250 K N -0.710 119.608 120.400 -0.137 0.000 2.542 250 K HA 0.587 4.907 4.320 -0.000 0.000 0.259 250 K C -1.941 174.683 176.600 0.039 0.000 0.932 250 K CA -0.730 55.584 56.287 0.046 0.000 0.820 250 K CB 1.801 34.289 32.500 -0.020 0.000 1.345 250 K HN 0.227 nan 8.250 nan 0.000 0.432 251 F N 5.112 125.097 119.950 0.058 0.000 2.405 251 F HA 0.481 5.008 4.527 -0.000 0.000 0.355 251 F C -0.066 175.704 175.800 -0.049 0.000 1.121 251 F CA -0.410 57.523 58.000 -0.111 0.000 1.112 251 F CB 1.208 39.945 39.000 -0.438 0.000 1.126 251 F HN 0.391 nan 8.300 nan 0.000 0.481 252 L N 0.877 122.131 121.223 0.052 0.000 2.479 252 L HA 0.987 5.327 4.340 -0.000 0.000 0.255 252 L C -1.144 175.767 176.870 0.068 0.000 1.026 252 L CA -1.464 53.408 54.840 0.054 0.000 0.842 252 L CB 1.692 43.753 42.059 0.003 0.000 1.444 252 L HN 0.496 nan 8.230 nan 0.000 0.409 253 A N 1.299 124.161 122.820 0.070 0.000 2.401 253 A HA 0.454 4.773 4.320 -0.000 0.000 0.259 253 A C -0.502 177.146 177.584 0.107 0.000 1.103 253 A CA -0.264 51.836 52.037 0.104 0.000 0.789 253 A CB 0.055 19.107 19.000 0.087 0.000 1.035 253 A HN 0.602 nan 8.150 nan 0.000 0.491 254 F N 3.137 123.101 119.950 0.024 0.000 2.608 254 F HA 0.319 4.846 4.527 -0.000 0.000 0.380 254 F C 1.219 177.016 175.800 -0.005 0.000 1.083 254 F CA 0.994 59.003 58.000 0.015 0.000 1.266 254 F CB 0.047 39.092 39.000 0.075 0.000 1.076 254 F HN 1.392 nan 8.300 nan 0.000 0.574 255 A N 2.789 125.169 122.820 -0.732 0.000 2.079 255 A HA -0.388 3.932 4.320 -0.000 0.000 0.230 255 A C 1.816 179.177 177.584 -0.371 0.000 0.537 255 A CA 2.109 53.713 52.037 -0.721 0.000 1.134 255 A CB -2.752 15.711 19.000 -0.894 0.000 1.423 255 A HN 1.320 nan 8.150 nan 0.000 0.706 256 T N -3.526 110.894 114.554 -0.223 0.000 3.054 256 T HA 0.224 4.574 4.350 -0.000 0.000 0.259 256 T C 0.886 175.526 174.700 -0.100 0.000 1.092 256 T CA 1.052 63.082 62.100 -0.117 0.000 1.121 256 T CB -0.123 68.722 68.868 -0.040 0.000 0.912 256 T HN 1.209 nan 8.240 nan 0.000 0.489 257 N N 1.358 119.992 118.700 -0.110 0.000 2.741 257 N HA -0.106 4.634 4.740 -0.000 0.000 0.251 257 N C 0.409 175.893 175.510 -0.045 0.000 1.112 257 N CA 0.985 53.977 53.050 -0.097 0.000 0.750 257 N CB -1.612 36.778 38.487 -0.162 0.000 1.119 257 N HN 0.787 nan 8.380 nan 0.000 0.561 258 G N -0.124 108.670 108.800 -0.010 0.000 2.527 258 G HA2 0.300 4.260 3.960 -0.000 0.000 0.248 258 G HA3 0.300 4.260 3.960 -0.000 0.000 0.248 258 G C -0.011 174.908 174.900 0.030 0.000 1.231 258 G CA -0.228 44.880 45.100 0.013 0.000 0.838 258 G HN 0.084 nan 8.290 nan 0.000 0.570 259 D N -0.706 119.713 120.400 0.033 0.000 2.449 259 D HA 0.228 4.868 4.640 -0.000 0.000 0.236 259 D C 0.227 176.573 176.300 0.077 0.000 1.149 259 D CA 0.366 54.397 54.000 0.052 0.000 0.878 259 D CB 1.533 42.357 40.800 0.041 0.000 1.198 259 D HN 0.029 nan 8.370 nan 0.000 0.446 260 V N 1.526 121.506 119.914 0.110 0.000 2.680 260 V HA 0.327 4.447 4.120 -0.000 0.000 0.309 260 V C 0.100 176.270 176.094 0.127 0.000 1.052 260 V CA -0.669 61.714 62.300 0.139 0.000 0.908 260 V CB 2.171 34.113 31.823 0.197 0.000 1.001 260 V HN 0.445 nan 8.190 nan 0.000 0.431 261 S N 2.104 117.843 115.700 0.065 0.000 2.525 261 S HA 0.914 5.383 4.470 -0.000 0.000 0.290 261 S C 0.353 174.866 174.600 -0.144 0.000 1.152 261 S CA 0.161 58.324 58.200 -0.062 0.000 1.072 261 S CB 1.637 64.758 63.200 -0.132 0.000 1.027 261 S HN 1.234 nan 8.310 nan 0.000 0.500 262 G N 1.105 109.686 108.800 -0.365 0.000 2.500 262 G HA2 0.526 4.486 3.960 -0.000 0.000 0.299 262 G HA3 0.526 4.486 3.960 -0.000 0.000 0.299 262 G C -2.504 171.812 174.900 -0.974 0.000 1.242 262 G CA -0.776 43.873 45.100 -0.753 0.000 0.859 262 G HN 0.579 nan 8.290 nan 0.000 0.481 263 W N -0.175 120.677 121.300 -0.747 0.000 2.715 263 W HA 0.667 5.327 4.660 -0.000 0.000 0.331 263 W C -0.763 175.552 176.519 -0.339 0.000 1.031 263 W CA -0.600 56.496 57.345 -0.415 0.000 1.237 263 W CB 2.137 31.457 29.460 -0.232 0.000 1.378 263 W HN 0.441 nan 8.180 nan 0.000 0.454 264 L N 3.376 124.574 121.223 -0.041 0.000 2.313 264 L HA 0.780 5.119 4.340 -0.000 0.000 0.283 264 L C -0.447 176.463 176.870 0.067 0.000 1.013 264 L CA -0.108 54.708 54.840 -0.040 0.000 0.816 264 L CB 1.570 43.435 42.059 -0.322 0.000 1.236 264 L HN 0.227 nan 8.230 nan 0.000 0.419 265 S N 6.031 121.773 115.700 0.070 0.000 2.561 265 S HA 0.674 5.143 4.470 -0.000 0.000 0.303 265 S C -0.562 173.944 174.600 -0.157 0.000 1.110 265 S CA -0.387 57.817 58.200 0.005 0.000 1.034 265 S CB 1.010 64.248 63.200 0.062 0.000 1.010 265 S HN 0.525 nan 8.310 nan 0.000 0.482 266 I N 3.519 123.880 120.570 -0.349 0.000 2.378 266 I HA 0.449 4.619 4.170 -0.000 0.000 0.291 266 I C -1.343 174.611 176.117 -0.271 0.000 0.992 266 I CA -0.655 60.421 61.300 -0.373 0.000 1.154 266 I CB 1.190 38.808 38.000 -0.636 0.000 1.315 266 I HN 0.570 nan 8.210 nan 0.000 0.448 267 Y N 6.696 127.082 120.300 0.143 0.000 2.425 267 Y HA 0.429 4.979 4.550 -0.000 0.000 0.344 267 Y C -2.325 173.794 175.900 0.365 0.000 0.969 267 Y CA -2.519 55.721 58.100 0.232 0.000 1.052 267 Y CB 1.995 40.575 38.460 0.201 0.000 1.215 267 Y HN 0.344 nan 8.280 nan 0.000 0.451 268 P HA 0.322 nan 4.420 nan 0.000 0.279 268 P C -0.771 176.627 177.300 0.162 0.000 1.239 268 P CA -0.018 63.162 63.100 0.134 0.000 0.789 268 P CB 1.509 33.241 31.700 0.053 0.000 0.933 269 I N -0.720 119.908 120.570 0.097 0.000 2.892 269 I HA 0.555 4.725 4.170 -0.000 0.000 0.306 269 I C -0.124 176.027 176.117 0.057 0.000 1.078 269 I CA -1.337 60.038 61.300 0.126 0.000 1.032 269 I CB 2.178 40.313 38.000 0.224 0.000 1.229 269 I HN 0.163 nan 8.210 nan 0.000 0.435 270 D N 2.015 122.443 120.400 0.047 0.000 2.478 270 D HA 0.049 4.689 4.640 -0.000 0.000 0.269 270 D C 0.825 177.132 176.300 0.012 0.000 1.232 270 D CA -0.273 53.736 54.000 0.016 0.000 1.059 270 D CB 0.455 41.258 40.800 0.004 0.000 1.104 270 D HN 0.813 nan 8.370 nan 0.000 0.566 271 E N -0.865 119.330 120.200 -0.007 0.000 2.401 271 E HA -0.187 4.163 4.350 -0.000 0.000 0.199 271 E C 0.270 176.859 176.600 -0.017 0.000 1.023 271 E CA 0.700 57.090 56.400 -0.016 0.000 0.859 271 E CB -0.381 29.302 29.700 -0.028 0.000 0.780 271 E HN 0.280 nan 8.360 nan 0.000 0.523 272 N N 0.009 118.697 118.700 -0.020 0.000 2.205 272 N HA 0.101 4.841 4.740 -0.000 0.000 0.201 272 N C 0.847 176.329 175.510 -0.047 0.000 1.128 272 N CA 0.739 53.766 53.050 -0.038 0.000 0.867 272 N CB 1.477 39.934 38.487 -0.050 0.000 0.996 272 N HN 0.415 nan 8.380 nan 0.000 0.503 273 G N 1.235 110.032 108.800 -0.005 0.000 2.175 273 G HA2 -0.292 3.667 3.960 -0.000 0.000 0.244 273 G HA3 -0.292 3.667 3.960 -0.000 0.000 0.244 273 G C 0.179 175.102 174.900 0.039 0.000 0.982 273 G CA 0.060 45.174 45.100 0.023 0.000 0.641 273 G HN 0.392 nan 8.290 nan 0.000 0.527 274 K N 1.149 121.549 120.400 -0.001 0.000 2.298 274 K HA 0.443 4.763 4.320 -0.000 0.000 0.280 274 K C 0.803 177.425 176.600 0.037 0.000 1.032 274 K CA -0.676 55.603 56.287 -0.013 0.000 0.958 274 K CB 0.292 32.771 32.500 -0.035 0.000 0.978 274 K HN 0.319 nan 8.250 nan 0.000 0.472 275 R N 3.884 124.400 120.500 0.027 0.000 2.489 275 R HA 0.031 4.370 4.340 -0.000 0.000 0.287 275 R C 0.795 177.144 176.300 0.082 0.000 1.053 275 R CA -0.025 56.116 56.100 0.068 0.000 1.036 275 R CB 0.361 30.628 30.300 -0.055 0.000 0.966 275 R HN 0.642 nan 8.270 nan 0.000 0.432 276 L N 1.493 122.789 121.223 0.122 0.000 2.529 276 L HA 0.043 4.383 4.340 -0.000 0.000 0.223 276 L C 0.689 177.626 176.870 0.112 0.000 1.113 276 L CA 0.412 55.308 54.840 0.094 0.000 0.861 276 L CB 0.060 42.165 42.059 0.076 0.000 1.012 276 L HN 0.740 nan 8.230 nan 0.000 0.461 277 T N -4.532 110.125 114.554 0.172 0.000 2.908 277 T HA 0.378 4.728 4.350 -0.000 0.000 0.290 277 T C 0.840 175.656 174.700 0.193 0.000 1.034 277 T CA -0.886 61.314 62.100 0.166 0.000 1.010 277 T CB 2.061 71.030 68.868 0.169 0.000 1.068 277 T HN -0.035 nan 8.240 nan 0.000 0.481 278 R N 0.514 121.094 120.500 0.133 0.000 2.073 278 R HA 0.198 4.538 4.340 -0.000 0.000 0.229 278 R C 0.462 176.862 176.300 0.167 0.000 1.120 278 R CA 0.695 56.868 56.100 0.120 0.000 0.967 278 R CB -0.317 30.024 30.300 0.068 0.000 0.862 278 R HN 0.503 nan 8.270 nan 0.000 0.436 279 L N 2.646 123.947 121.223 0.130 0.000 2.331 279 L HA 0.421 4.761 4.340 -0.000 0.000 0.275 279 L C -2.160 174.702 176.870 -0.014 0.000 1.022 279 L CA -2.621 52.261 54.840 0.070 0.000 0.812 279 L CB 1.445 43.505 42.059 0.002 0.000 1.257 279 L HN -0.114 nan 8.230 nan 0.000 0.435 280 P HA -0.009 nan 4.420 nan 0.000 0.270 280 P C 0.736 177.879 177.300 -0.262 0.000 1.223 280 P CA -0.272 62.411 63.100 -0.695 0.000 0.785 280 P CB 1.067 32.175 31.700 -0.987 0.000 0.923 281 V N -1.842 117.962 119.914 -0.184 0.000 2.871 281 V HA 0.077 4.197 4.120 -0.000 0.000 0.256 281 V C 0.594 176.644 176.094 -0.074 0.000 1.082 281 V CA 1.278 63.545 62.300 -0.055 0.000 1.105 281 V CB -1.016 30.836 31.823 0.048 0.000 0.713 281 V HN 0.357 nan 8.190 nan 0.000 0.473 282 K N 0.480 120.799 120.400 -0.134 0.000 2.501 282 K HA 0.571 4.891 4.320 -0.000 0.000 0.252 282 K C -1.837 174.738 176.600 -0.041 0.000 0.934 282 K CA -0.346 55.880 56.287 -0.101 0.000 0.797 282 K CB 2.799 35.200 32.500 -0.164 0.000 1.270 282 K HN 0.213 nan 8.250 nan 0.000 0.431 283 F N 4.550 124.405 119.950 -0.157 0.000 2.573 283 F HA 0.593 5.120 4.527 -0.000 0.000 0.316 283 F C -1.283 174.477 175.800 -0.066 0.000 1.148 283 F CA -0.825 57.102 58.000 -0.122 0.000 0.940 283 F CB 1.243 40.187 39.000 -0.093 0.000 1.214 283 F HN 0.558 nan 8.300 nan 0.000 0.448 284 M N 4.259 123.514 119.600 -0.576 0.000 2.578 284 M HA 0.571 5.050 4.480 -0.000 0.000 0.276 284 M C -1.678 174.296 176.300 -0.544 0.000 1.245 284 M CA -1.080 53.895 55.300 -0.542 0.000 0.871 284 M CB 2.283 34.699 32.600 -0.306 0.000 1.722 284 M HN 0.602 nan 8.290 nan 0.000 0.473 285 R N 2.187 122.349 120.500 -0.564 0.000 2.267 285 R HA 0.599 4.939 4.340 -0.000 0.000 0.319 285 R C -1.323 174.657 176.300 -0.534 0.000 1.067 285 R CA -0.316 55.281 56.100 -0.838 0.000 0.936 285 R CB 0.385 30.179 30.300 -0.843 0.000 1.006 285 R HN 0.679 nan 8.270 nan 0.000 0.452 286 V N 1.434 121.048 119.914 -0.501 0.000 2.483 286 V HA 0.628 4.748 4.120 -0.000 0.000 0.295 286 V C -0.522 175.454 176.094 -0.196 0.000 1.035 286 V CA -0.780 61.367 62.300 -0.255 0.000 0.896 286 V CB 1.785 33.497 31.823 -0.185 0.000 0.986 286 V HN 0.773 nan 8.190 nan 0.000 0.447 287 K N 3.944 124.290 120.400 -0.090 0.000 2.701 287 K HA 0.623 4.943 4.320 -0.000 0.000 0.212 287 K C 0.642 177.255 176.600 0.023 0.000 1.035 287 K CA 0.039 56.295 56.287 -0.053 0.000 1.048 287 K CB 1.101 33.553 32.500 -0.080 0.000 1.234 287 K HN 1.420 nan 8.250 nan 0.000 0.540 288 G N 2.349 111.199 108.800 0.082 0.000 2.720 288 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.293 288 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.293 288 G C -0.365 174.635 174.900 0.167 0.000 1.256 288 G CA -0.159 45.007 45.100 0.111 0.000 0.974 288 G HN 0.557 nan 8.290 nan 0.000 0.551 289 D N 1.639 122.093 120.400 0.090 0.000 2.362 289 D HA 0.553 5.193 4.640 -0.000 0.000 0.242 289 D C 0.106 176.489 176.300 0.138 0.000 1.132 289 D CA 1.458 55.486 54.000 0.046 0.000 0.907 289 D CB 0.939 41.720 40.800 -0.031 0.000 1.195 289 D HN 0.598 nan 8.370 nan 0.000 0.429 290 F N -1.403 118.534 119.950 -0.021 0.000 2.668 290 F HA 0.526 5.052 4.527 -0.000 0.000 0.309 290 F C -1.185 174.581 175.800 -0.056 0.000 1.117 290 F CA -1.097 56.879 58.000 -0.040 0.000 0.951 290 F CB 1.770 40.755 39.000 -0.025 0.000 1.323 290 F HN 0.183 nan 8.300 nan 0.000 0.451 291 E N 2.124 122.370 120.200 0.077 0.000 2.308 291 E HA 0.677 5.027 4.350 -0.000 0.000 0.275 291 E C -2.316 174.313 176.600 0.049 0.000 0.890 291 E CA -0.934 55.433 56.400 -0.054 0.000 0.754 291 E CB 2.969 32.611 29.700 -0.098 0.000 1.207 291 E HN 0.893 nan 8.360 nan 0.000 0.426 292 V N 3.579 123.500 119.914 0.013 0.000 3.147 292 V HA 0.599 4.718 4.120 -0.000 0.000 0.306 292 V C -1.612 174.445 176.094 -0.062 0.000 1.209 292 V CA -0.770 61.526 62.300 -0.007 0.000 1.023 292 V CB 2.175 34.012 31.823 0.023 0.000 1.059 292 V HN 0.782 nan 8.190 nan 0.000 0.435 293 R N 4.024 124.488 120.500 -0.059 0.000 2.338 293 R HA 0.773 5.113 4.340 -0.000 0.000 0.317 293 R C -1.626 174.689 176.300 0.026 0.000 0.968 293 R CA -0.455 55.622 56.100 -0.039 0.000 0.849 293 R CB 1.210 31.458 30.300 -0.087 0.000 1.128 293 R HN 0.790 nan 8.270 nan 0.000 0.448 294 L N 2.920 124.204 121.223 0.101 0.000 2.303 294 L HA 0.593 4.933 4.340 -0.000 0.000 0.256 294 L C -0.235 176.859 176.870 0.373 0.000 1.034 294 L CA -1.376 53.574 54.840 0.183 0.000 0.832 294 L CB 2.193 44.242 42.059 -0.016 0.000 1.403 294 L HN 0.555 nan 8.230 nan 0.000 0.419 295 R N 1.009 121.770 120.500 0.434 0.000 2.340 295 R HA 0.209 4.549 4.340 -0.000 0.000 0.300 295 R C -0.345 176.092 176.300 0.229 0.000 1.069 295 R CA -0.512 55.706 56.100 0.197 0.000 0.984 295 R CB 0.836 31.205 30.300 0.115 0.000 1.003 295 R HN 0.328 nan 8.270 nan 0.000 0.459 296 K N 1.515 121.973 120.400 0.097 0.000 2.451 296 K HA -0.014 4.305 4.320 -0.000 0.000 0.280 296 K C 0.717 177.375 176.600 0.098 0.000 1.020 296 K CA 1.145 57.508 56.287 0.128 0.000 1.008 296 K CB 0.383 32.921 32.500 0.063 0.000 0.917 296 K HN 0.807 nan 8.250 nan 0.000 0.478 297 G N 2.307 111.184 108.800 0.128 0.000 2.189 297 G HA2 -0.310 3.649 3.960 -0.000 0.000 0.267 297 G HA3 -0.310 3.649 3.960 -0.000 0.000 0.267 297 G C -0.099 174.823 174.900 0.038 0.000 0.975 297 G CA 0.765 45.905 45.100 0.067 0.000 0.644 297 G HN 0.630 nan 8.290 nan 0.000 0.537 298 Q N 0.288 120.122 119.800 0.057 0.000 2.256 298 Q HA 0.690 5.030 4.340 -0.000 0.000 0.254 298 Q C 0.475 176.377 176.000 -0.163 0.000 0.916 298 Q CA -0.673 55.068 55.803 -0.104 0.000 0.932 298 Q CB 0.693 29.297 28.738 -0.223 0.000 1.207 298 Q HN 0.367 nan 8.270 nan 0.000 0.426 299 L N 4.694 125.823 121.223 -0.158 0.000 2.380 299 L HA 0.279 4.619 4.340 -0.000 0.000 0.273 299 L C -0.728 176.070 176.870 -0.119 0.000 1.138 299 L CA -0.072 54.753 54.840 -0.024 0.000 0.832 299 L CB 0.232 42.316 42.059 0.042 0.000 1.124 299 L HN 0.714 nan 8.230 nan 0.000 0.454 300 Y N 0.960 121.465 120.300 0.342 0.000 2.581 300 Y HA 0.368 4.918 4.550 -0.000 0.000 0.345 300 Y C -0.205 175.981 175.900 0.476 0.000 1.036 300 Y CA -0.926 57.417 58.100 0.406 0.000 1.042 300 Y CB 1.872 40.632 38.460 0.498 0.000 1.289 300 Y HN 0.445 nan 8.280 nan 0.000 0.471 301 E N 2.222 122.793 120.200 0.618 0.000 2.158 301 E HA 0.401 4.751 4.350 -0.000 0.000 0.271 301 E C -1.872 175.005 176.600 0.462 0.000 0.911 301 E CA -0.488 56.150 56.400 0.396 0.000 0.767 301 E CB 0.834 30.771 29.700 0.394 0.000 1.120 301 E HN 0.580 nan 8.360 nan 0.000 0.405 302 F N 3.532 123.585 119.950 0.171 0.000 2.334 302 F HA 0.204 4.731 4.527 -0.000 0.000 0.367 302 F C 0.565 176.492 175.800 0.212 0.000 1.115 302 F CA -0.648 57.462 58.000 0.182 0.000 1.116 302 F CB 1.537 40.625 39.000 0.146 0.000 1.230 302 F HN 0.376 nan 8.300 nan 0.000 0.484 303 Q N 4.662 124.631 119.800 0.282 0.000 2.257 303 Q HA 0.400 4.740 4.340 -0.000 0.000 0.255 303 Q C -1.781 174.364 176.000 0.243 0.000 0.920 303 Q CA -0.545 55.370 55.803 0.185 0.000 0.927 303 Q CB 1.419 30.249 28.738 0.154 0.000 1.229 303 Q HN 0.633 nan 8.270 nan 0.000 0.433 304 F N 2.853 122.845 119.950 0.071 0.000 2.578 304 F HA 0.516 5.043 4.527 -0.000 0.000 0.311 304 F C -1.296 174.573 175.800 0.114 0.000 1.094 304 F CA -0.816 57.201 58.000 0.029 0.000 0.923 304 F CB 1.734 40.755 39.000 0.035 0.000 1.230 304 F HN 0.519 nan 8.300 nan 0.000 0.450 305 R N 5.615 125.781 120.500 -0.557 0.000 2.480 305 R HA 0.414 4.754 4.340 -0.000 0.000 0.306 305 R C -1.191 174.685 176.300 -0.708 0.000 0.958 305 R CA -0.810 55.097 56.100 -0.321 0.000 0.861 305 R CB 1.422 31.625 30.300 -0.161 0.000 1.171 305 R HN 0.799 nan 8.270 nan 0.000 0.445 306 K N 2.732 122.956 120.400 -0.293 0.000 2.098 306 K HA 0.230 4.549 4.320 -0.000 0.000 0.261 306 K C -0.851 175.665 176.600 -0.140 0.000 0.987 306 K CA -0.793 55.357 56.287 -0.228 0.000 0.916 306 K CB 0.928 33.515 32.500 0.146 0.000 1.039 306 K HN 0.317 nan 8.250 nan 0.000 0.455 307 D N 1.526 121.794 120.400 -0.221 0.000 2.472 307 D HA -0.019 4.621 4.640 -0.000 0.000 0.237 307 D C -0.050 176.082 176.300 -0.281 0.000 1.141 307 D CA 0.527 54.251 54.000 -0.459 0.000 0.875 307 D CB -0.253 40.043 40.800 -0.839 0.000 1.192 307 D HN 0.622 nan 8.370 nan 0.000 0.450 308 F N -1.022 118.960 119.950 0.053 0.000 2.840 308 F HA -0.255 4.272 4.527 -0.000 0.000 0.310 308 F C 0.642 176.472 175.800 0.050 0.000 0.688 308 F CA 0.651 58.680 58.000 0.048 0.000 1.286 308 F CB -2.040 36.989 39.000 0.048 0.000 1.612 308 F HN 0.234 nan 8.300 nan 0.000 0.335 309 S N 0.189 115.983 115.700 0.156 0.000 2.541 309 S HA 0.712 5.182 4.470 -0.000 0.000 0.280 309 S C -1.506 173.125 174.600 0.051 0.000 1.112 309 S CA -0.779 57.494 58.200 0.123 0.000 0.925 309 S CB 2.285 65.588 63.200 0.171 0.000 1.067 309 S HN -0.111 nan 8.310 nan 0.000 0.479 310 P HA 0.195 nan 4.420 nan 0.000 0.240 310 P C 0.209 177.444 177.300 -0.109 0.000 1.190 310 P CA -0.033 63.040 63.100 -0.045 0.000 0.781 310 P CB -0.023 31.653 31.700 -0.040 0.000 0.931 311 I N 1.899 122.398 120.570 -0.117 0.000 2.710 311 I HA -0.023 4.147 4.170 -0.000 0.000 0.286 311 I C 0.995 176.875 176.117 -0.395 0.000 1.181 311 I CA -0.094 61.033 61.300 -0.288 0.000 1.430 311 I CB -0.113 37.685 38.000 -0.337 0.000 1.367 311 I HN -0.084 nan 8.210 nan 0.000 0.577 312 I N 7.814 128.090 120.570 -0.491 0.000 2.321 312 I HA 0.231 4.401 4.170 -0.000 0.000 0.291 312 I C -0.211 175.542 176.117 -0.607 0.000 0.998 312 I CA -0.660 60.378 61.300 -0.436 0.000 1.227 312 I CB 0.434 38.239 38.000 -0.325 0.000 1.368 312 I HN 0.306 nan 8.210 nan 0.000 0.466 313 Y N 4.759 124.905 120.300 -0.258 0.000 2.323 313 Y HA 0.400 4.949 4.550 -0.000 0.000 0.331 313 Y C 0.518 176.145 175.900 -0.455 0.000 1.092 313 Y CA -0.359 57.605 58.100 -0.227 0.000 1.150 313 Y CB 1.022 39.509 38.460 0.045 0.000 1.200 313 Y HN 0.385 nan 8.280 nan 0.000 0.472 314 H N 3.764 122.794 119.070 -0.066 0.000 2.800 314 H HA 0.233 4.789 4.556 -0.000 0.000 0.322 314 H C -1.483 173.745 175.328 -0.166 0.000 0.979 314 H CA -0.826 55.148 56.048 -0.123 0.000 1.277 314 H CB 0.815 30.413 29.762 -0.275 0.000 1.484 314 H HN 0.694 nan 8.280 nan 0.000 0.512 315 Y N 2.464 122.769 120.300 0.008 0.000 2.330 315 Y HA 0.273 4.823 4.550 -0.000 0.000 0.336 315 Y C -0.399 175.406 175.900 -0.158 0.000 1.036 315 Y CA -0.531 57.586 58.100 0.028 0.000 1.125 315 Y CB 1.005 39.615 38.460 0.251 0.000 1.194 315 Y HN 0.478 nan 8.280 nan 0.000 0.469 316 Y N 2.193 122.630 120.300 0.229 0.000 2.499 316 Y HA 0.747 5.297 4.550 -0.000 0.000 0.347 316 Y C -0.188 175.734 175.900 0.036 0.000 0.987 316 Y CA -1.377 56.827 58.100 0.172 0.000 1.044 316 Y CB 2.300 40.800 38.460 0.068 0.000 1.245 316 Y HN 0.609 nan 8.280 nan 0.000 0.461 317 R N 0.420 121.122 120.500 0.336 0.000 2.752 317 R HA 0.885 5.224 4.340 -0.000 0.000 0.277 317 R C -1.674 174.822 176.300 0.328 0.000 1.024 317 R CA -1.173 55.086 56.100 0.265 0.000 0.866 317 R CB 0.646 30.930 30.300 -0.028 0.000 1.278 317 R HN 0.712 nan 8.270 nan 0.000 0.473 318 A N 1.143 124.070 122.820 0.179 0.000 2.406 318 A HA 0.480 4.800 4.320 -0.000 0.000 0.243 318 A C -2.046 175.473 177.584 -0.109 0.000 1.082 318 A CA -1.064 50.974 52.037 0.003 0.000 0.786 318 A CB -0.558 18.416 19.000 -0.044 0.000 1.029 318 A HN 0.562 nan 8.150 nan 0.000 0.495 319 P HA 0.147 nan 4.420 nan 0.000 0.268 319 P C -0.815 176.441 177.300 -0.074 0.000 1.208 319 P CA 0.381 63.468 63.100 -0.021 0.000 0.777 319 P CB 0.149 31.872 31.700 0.037 0.000 0.875 320 F N 0.548 120.610 119.950 0.187 0.000 2.427 320 F HA 0.123 4.649 4.527 -0.000 0.000 0.352 320 F C 1.594 177.456 175.800 0.102 0.000 1.100 320 F CA -0.090 57.994 58.000 0.140 0.000 1.191 320 F CB 0.554 39.652 39.000 0.163 0.000 1.128 320 F HN 0.085 nan 8.300 nan 0.000 0.533 321 V N 0.452 120.504 119.914 0.229 0.000 3.643 321 V HA 0.451 4.571 4.120 -0.000 0.000 0.280 321 V C 0.487 176.655 176.094 0.124 0.000 1.351 321 V CA 0.113 62.497 62.300 0.140 0.000 1.073 321 V CB -0.387 31.480 31.823 0.073 0.000 0.863 321 V HN 0.770 nan 8.190 nan 0.000 0.436 322 R N -0.347 120.246 120.500 0.154 0.000 2.795 322 R HA 0.438 4.778 4.340 -0.000 0.000 0.268 322 R C -1.438 174.927 176.300 0.108 0.000 1.041 322 R CA -0.954 55.214 56.100 0.113 0.000 0.927 322 R CB 0.807 31.167 30.300 0.100 0.000 1.235 322 R HN 0.129 nan 8.270 nan 0.000 0.463 323 D N 1.229 121.661 120.400 0.053 0.000 2.443 323 D HA 0.050 4.690 4.640 -0.000 0.000 0.239 323 D C -0.626 175.651 176.300 -0.038 0.000 1.136 323 D CA 0.966 54.946 54.000 -0.034 0.000 0.879 323 D CB 0.534 41.299 40.800 -0.058 0.000 1.195 323 D HN 0.278 nan 8.370 nan 0.000 0.443 324 D N 1.963 122.256 120.400 -0.178 0.000 2.402 324 D HA 0.156 4.796 4.640 -0.000 0.000 0.252 324 D C 0.002 175.989 176.300 -0.521 0.000 1.294 324 D CA -0.453 53.450 54.000 -0.162 0.000 0.948 324 D CB 0.536 41.396 40.800 0.101 0.000 1.202 324 D HN 0.200 nan 8.370 nan 0.000 0.561 325 L N 2.085 122.559 121.223 -1.249 0.000 2.653 325 L HA 0.313 4.652 4.340 -0.000 0.000 0.231 325 L C 0.455 176.597 176.870 -1.212 0.000 1.153 325 L CA -0.199 53.865 54.840 -1.292 0.000 0.933 325 L CB 0.243 41.425 42.059 -1.461 0.000 1.175 325 L HN 0.400 nan 8.230 nan 0.000 0.473 326 W N 0.728 121.997 121.300 -0.051 0.000 2.075 326 W HA 0.469 5.129 4.660 -0.000 0.000 0.332 326 W C 0.433 176.909 176.519 -0.071 0.000 0.905 326 W CA -0.877 56.440 57.345 -0.046 0.000 2.126 326 W CB -0.005 29.449 29.460 -0.010 0.000 1.143 326 W HN -0.047 nan 8.180 nan 0.000 0.542 327 A N 2.085 124.906 122.820 0.002 0.000 2.401 327 A HA 0.658 4.977 4.320 -0.000 0.000 0.259 327 A C 0.305 177.809 177.584 -0.133 0.000 1.103 327 A CA 0.191 52.205 52.037 -0.039 0.000 0.789 327 A CB 0.557 19.592 19.000 0.058 0.000 1.035 327 A HN 0.102 nan 8.150 nan 0.000 0.491 328 R N 1.100 121.403 120.500 -0.329 0.000 2.575 328 R HA 0.468 4.808 4.340 -0.000 0.000 0.293 328 R C -2.008 173.848 176.300 -0.741 0.000 0.983 328 R CA -0.334 55.567 56.100 -0.331 0.000 0.887 328 R CB 1.305 31.505 30.300 -0.167 0.000 1.184 328 R HN 0.613 nan 8.270 nan 0.000 0.445 329 F N 3.281 122.875 119.950 -0.594 0.000 2.382 329 F HA 0.422 4.949 4.527 -0.000 0.000 0.361 329 F C 0.509 175.992 175.800 -0.528 0.000 1.109 329 F CA -0.611 56.857 58.000 -0.886 0.000 1.031 329 F CB 0.992 38.791 39.000 -2.002 0.000 1.234 329 F HN 0.122 nan 8.300 nan 0.000 0.445 330 L N 4.001 125.165 121.223 -0.099 0.000 2.397 330 L HA 0.591 4.931 4.340 -0.000 0.000 0.271 330 L C -0.244 176.705 176.870 0.132 0.000 1.148 330 L CA -0.606 54.261 54.840 0.045 0.000 0.825 330 L CB 0.885 42.991 42.059 0.079 0.000 1.117 330 L HN 0.276 nan 8.230 nan 0.000 0.456 331 V N 1.291 121.284 119.914 0.131 0.000 2.823 331 V HA 0.334 4.454 4.120 -0.000 0.000 0.312 331 V C -0.195 175.995 176.094 0.161 0.000 1.072 331 V CA -0.670 61.700 62.300 0.117 0.000 0.937 331 V CB 2.050 33.955 31.823 0.138 0.000 1.013 331 V HN 0.760 nan 8.190 nan 0.000 0.430 332 S N 3.519 119.311 115.700 0.153 0.000 2.457 332 S HA 0.672 5.142 4.470 -0.000 0.000 0.289 332 S C -0.599 174.109 174.600 0.179 0.000 1.163 332 S CA -0.559 57.764 58.200 0.204 0.000 1.078 332 S CB 0.141 63.470 63.200 0.215 0.000 0.987 332 S HN 0.643 nan 8.310 nan 0.000 0.482 333 K N 3.559 124.066 120.400 0.179 0.000 2.533 333 K HA 0.531 4.851 4.320 -0.000 0.000 0.272 333 K C -3.103 173.574 176.600 0.129 0.000 0.985 333 K CA -2.244 54.130 56.287 0.146 0.000 0.876 333 K CB 0.921 33.500 32.500 0.132 0.000 1.452 333 K HN 0.289 nan 8.250 nan 0.000 0.439 334 P HA 0.168 nan 4.420 nan 0.000 0.272 334 P C -1.611 175.739 177.300 0.083 0.000 1.230 334 P CA -0.885 62.268 63.100 0.089 0.000 0.788 334 P CB 0.224 31.967 31.700 0.072 0.000 0.949 335 P HA 0.056 nan 4.420 nan 0.000 0.241 335 P C 0.082 177.442 177.300 0.099 0.000 1.191 335 P CA 0.713 63.862 63.100 0.081 0.000 0.771 335 P CB 0.328 32.074 31.700 0.078 0.000 0.929 336 L N 1.231 122.524 121.223 0.117 0.000 2.719 336 L HA 0.356 4.696 4.340 -0.000 0.000 0.236 336 L C -0.312 176.677 176.870 0.199 0.000 1.221 336 L CA -0.584 54.352 54.840 0.159 0.000 1.048 336 L CB -0.459 41.695 42.059 0.157 0.000 1.364 336 L HN -0.302 nan 8.230 nan 0.000 0.447 337 D N 0.822 121.308 120.400 0.143 0.000 2.600 337 D HA 0.004 4.644 4.640 -0.000 0.000 0.226 337 D C 1.652 178.015 176.300 0.105 0.000 1.119 337 D CA 0.169 54.250 54.000 0.134 0.000 1.051 337 D CB 0.529 41.387 40.800 0.097 0.000 1.106 337 D HN 0.384 nan 8.370 nan 0.000 0.491 338 V N 0.583 120.590 119.914 0.156 0.000 2.594 338 V HA -0.173 3.947 4.120 -0.000 0.000 0.253 338 V C 1.927 177.982 176.094 -0.065 0.000 1.069 338 V CA 1.411 63.753 62.300 0.070 0.000 1.082 338 V CB -0.598 31.333 31.823 0.180 0.000 0.680 338 V HN 0.353 nan 8.190 nan 0.000 0.469 339 E N 0.459 120.689 120.200 0.051 0.000 2.265 339 E HA -0.127 4.223 4.350 -0.000 0.000 0.196 339 E C 2.014 178.569 176.600 -0.076 0.000 0.996 339 E CA 0.958 57.372 56.400 0.023 0.000 0.832 339 E CB -0.233 29.589 29.700 0.203 0.000 0.756 339 E HN 0.729 nan 8.360 nan 0.000 0.491 340 L N 0.488 121.675 121.223 -0.060 0.000 2.261 340 L HA -0.179 4.161 4.340 -0.000 0.000 0.216 340 L C 2.086 178.863 176.870 -0.155 0.000 1.114 340 L CA 0.587 55.384 54.840 -0.072 0.000 0.777 340 L CB -0.274 41.759 42.059 -0.044 0.000 0.910 340 L HN 0.282 nan 8.230 nan 0.000 0.440 341 L N -0.005 121.052 121.223 -0.276 0.000 2.551 341 L HA -0.119 4.220 4.340 -0.000 0.000 0.228 341 L C 1.779 178.438 176.870 -0.350 0.000 1.153 341 L CA 0.450 55.062 54.840 -0.381 0.000 0.851 341 L CB -0.212 41.419 42.059 -0.713 0.000 0.959 341 L HN 0.383 nan 8.230 nan 0.000 0.451 342 I N -5.280 115.074 120.570 -0.359 0.000 3.976 342 I HA 0.081 4.251 4.170 -0.000 0.000 0.337 342 I C 1.564 177.569 176.117 -0.188 0.000 1.359 342 I CA 0.378 61.420 61.300 -0.430 0.000 1.098 342 I CB -0.275 37.369 38.000 -0.594 0.000 1.027 342 I HN -0.105 nan 8.210 nan 0.000 0.394 343 L N 1.717 122.872 121.223 -0.113 0.000 2.027 343 L HA 0.076 4.416 4.340 -0.000 0.000 0.206 343 L C -0.166 176.699 176.870 -0.008 0.000 1.074 343 L CA 2.237 57.050 54.840 -0.044 0.000 0.745 343 L CB -1.679 40.363 42.059 -0.029 0.000 0.898 343 L HN 0.188 nan 8.230 nan 0.000 0.433 344 P HA -0.193 nan 4.420 nan 0.000 0.216 344 P C 1.252 178.584 177.300 0.054 0.000 1.157 344 P CA 1.393 64.511 63.100 0.029 0.000 0.880 344 P CB 0.099 31.822 31.700 0.038 0.000 0.791 345 E N -1.020 119.232 120.200 0.086 0.000 2.106 345 E HA -0.132 4.217 4.350 -0.000 0.000 0.192 345 E C 2.124 178.780 176.600 0.092 0.000 0.984 345 E CA 0.729 57.204 56.400 0.126 0.000 0.806 345 E CB -0.611 29.243 29.700 0.257 0.000 0.750 345 E HN 0.143 nan 8.360 nan 0.000 0.458 346 R N 0.544 121.077 120.500 0.055 0.000 2.159 346 R HA -0.097 4.243 4.340 -0.000 0.000 0.237 346 R C 1.444 177.768 176.300 0.040 0.000 1.131 346 R CA 1.014 57.141 56.100 0.044 0.000 0.982 346 R CB -0.126 30.183 30.300 0.015 0.000 0.868 346 R HN 0.221 nan 8.270 nan 0.000 0.453 347 L N 1.110 122.355 121.223 0.036 0.000 2.591 347 L HA 0.104 4.443 4.340 -0.000 0.000 0.228 347 L C 0.702 177.593 176.870 0.035 0.000 1.133 347 L CA -0.206 54.652 54.840 0.031 0.000 0.880 347 L CB 0.189 42.262 42.059 0.024 0.000 1.033 347 L HN 0.141 nan 8.230 nan 0.000 0.450 348 S N -0.251 115.477 115.700 0.046 0.000 2.580 348 S HA 0.190 4.660 4.470 -0.000 0.000 0.274 348 S C -1.260 173.366 174.600 0.043 0.000 1.329 348 S CA -1.166 57.062 58.200 0.046 0.000 1.036 348 S CB 0.723 63.956 63.200 0.056 0.000 0.919 348 S HN -0.034 nan 8.310 nan 0.000 0.515 349 P HA -0.120 nan 4.420 nan 0.000 0.218 349 P C 1.183 178.506 177.300 0.039 0.000 1.146 349 P CA 1.572 64.692 63.100 0.034 0.000 0.813 349 P CB -0.250 31.466 31.700 0.028 0.000 0.778 350 A N 0.105 122.951 122.820 0.044 0.000 2.167 350 A HA 0.200 4.520 4.320 -0.000 0.000 0.214 350 A C 2.332 179.952 177.584 0.062 0.000 1.151 350 A CA 1.075 53.141 52.037 0.049 0.000 0.735 350 A CB -1.066 17.963 19.000 0.049 0.000 0.802 350 A HN 0.222 nan 8.150 nan 0.000 0.467 351 A N 0.301 123.162 122.820 0.068 0.000 2.121 351 A HA -0.095 4.225 4.320 -0.000 0.000 0.218 351 A C 1.927 179.560 177.584 0.082 0.000 1.154 351 A CA 1.432 53.518 52.037 0.082 0.000 0.679 351 A CB -0.333 18.714 19.000 0.078 0.000 0.795 351 A HN 0.541 nan 8.150 nan 0.000 0.458 352 K N -0.249 120.192 120.400 0.068 0.000 2.365 352 K HA -0.077 4.243 4.320 -0.000 0.000 0.199 352 K C 1.228 177.866 176.600 0.065 0.000 1.045 352 K CA 1.236 57.565 56.287 0.069 0.000 0.962 352 K CB -0.004 32.528 32.500 0.054 0.000 0.759 352 K HN 0.618 nan 8.250 nan 0.000 0.469 353 E N 0.285 120.520 120.200 0.058 0.000 2.452 353 E HA -0.021 4.329 4.350 -0.000 0.000 0.197 353 E C 0.334 176.965 176.600 0.052 0.000 1.022 353 E CA 0.447 56.875 56.400 0.047 0.000 0.890 353 E CB 0.688 30.411 29.700 0.039 0.000 0.918 353 E HN 0.264 nan 8.360 nan 0.000 0.496 354 T N -2.466 112.131 114.554 0.073 0.000 2.887 354 T HA 0.549 4.899 4.350 -0.000 0.000 0.292 354 T C -0.094 174.671 174.700 0.107 0.000 1.087 354 T CA -0.909 61.239 62.100 0.081 0.000 1.009 354 T CB 2.108 71.029 68.868 0.090 0.000 1.203 354 T HN -0.228 nan 8.240 nan 0.000 0.518 355 S N -0.720 115.047 115.700 0.111 0.000 2.681 355 S HA 0.833 5.302 4.470 -0.000 0.000 0.299 355 S C 0.081 174.783 174.600 0.171 0.000 1.113 355 S CA -0.749 57.534 58.200 0.138 0.000 1.013 355 S CB 1.370 64.637 63.200 0.111 0.000 1.076 355 S HN 1.182 nan 8.310 nan 0.000 0.534 356 G N 1.013 109.922 108.800 0.182 0.000 2.683 356 G HA2 0.637 4.597 3.960 -0.000 0.000 0.299 356 G HA3 0.637 4.597 3.960 -0.000 0.000 0.299 356 G C -1.512 173.486 174.900 0.164 0.000 1.432 356 G CA -0.408 44.819 45.100 0.212 0.000 0.978 356 G HN 0.408 nan 8.290 nan 0.000 0.513 357 L N 1.431 122.744 121.223 0.149 0.000 2.333 357 L HA 0.712 5.051 4.340 -0.000 0.000 0.263 357 L C -0.646 176.176 176.870 -0.080 0.000 1.014 357 L CA -1.150 53.708 54.840 0.030 0.000 0.820 357 L CB 2.337 44.395 42.059 -0.003 0.000 1.352 357 L HN 0.450 nan 8.230 nan 0.000 0.421 358 L N 2.457 123.513 121.223 -0.279 0.000 2.376 358 L HA 0.626 4.966 4.340 -0.000 0.000 0.275 358 L C -1.463 175.117 176.870 -0.484 0.000 0.987 358 L CA -0.209 54.285 54.840 -0.577 0.000 0.828 358 L CB 1.293 42.803 42.059 -0.916 0.000 1.249 358 L HN 0.406 nan 8.230 nan 0.000 0.409 359 L N 6.472 127.421 121.223 -0.457 0.000 2.296 359 L HA 0.574 4.914 4.340 -0.000 0.000 0.286 359 L C -0.547 176.037 176.870 -0.476 0.000 1.023 359 L CA -0.442 54.087 54.840 -0.519 0.000 0.812 359 L CB 1.506 43.348 42.059 -0.362 0.000 1.223 359 L HN 0.554 nan 8.230 nan 0.000 0.421 360 I N 3.676 123.911 120.570 -0.559 0.000 2.509 360 I HA 0.545 4.714 4.170 -0.000 0.000 0.293 360 I C -0.315 175.568 176.117 -0.390 0.000 1.020 360 I CA -0.596 60.435 61.300 -0.449 0.000 1.088 360 I CB 2.244 39.938 38.000 -0.510 0.000 1.267 360 I HN 0.598 nan 8.210 nan 0.000 0.430 361 R N 4.667 125.009 120.500 -0.264 0.000 2.508 361 R HA 0.327 4.667 4.340 -0.000 0.000 0.283 361 R C -1.669 174.553 176.300 -0.130 0.000 1.120 361 R CA -0.641 55.366 56.100 -0.155 0.000 0.958 361 R CB 1.230 31.597 30.300 0.113 0.000 1.215 361 R HN 0.443 nan 8.270 nan 0.000 0.427 362 Y N 3.949 124.238 120.300 -0.018 0.000 2.851 362 Y HA 0.245 4.795 4.550 -0.000 0.000 0.369 362 Y C 0.076 175.958 175.900 -0.030 0.000 1.226 362 Y CA -0.103 57.970 58.100 -0.046 0.000 1.949 362 Y CB -0.099 38.310 38.460 -0.085 0.000 2.059 362 Y HN 0.335 nan 8.280 nan 0.000 0.420 363 K N 0.843 121.322 120.400 0.131 0.000 2.535 363 K HA 0.136 4.455 4.320 -0.000 0.000 0.310 363 K C -1.278 175.381 176.600 0.097 0.000 1.178 363 K CA -0.476 55.868 56.287 0.094 0.000 1.052 363 K CB 0.687 33.229 32.500 0.070 0.000 1.364 363 K HN 0.156 nan 8.250 nan 0.000 0.475 364 E N 3.291 123.564 120.200 0.122 0.000 2.765 364 E HA -0.106 4.244 4.350 -0.000 0.000 0.256 364 E C -0.268 176.385 176.600 0.088 0.000 0.935 364 E CA 1.122 57.601 56.400 0.131 0.000 0.954 364 E CB 0.301 30.096 29.700 0.159 0.000 0.908 364 E HN 0.380 nan 8.360 nan 0.000 0.500 365 M N 4.213 123.865 119.600 0.086 0.000 2.077 365 M HA 0.234 4.714 4.480 -0.000 0.000 0.348 365 M C -0.631 175.699 176.300 0.049 0.000 1.252 365 M CA -0.208 55.124 55.300 0.053 0.000 1.096 365 M CB 0.574 33.210 32.600 0.061 0.000 1.568 365 M HN 0.214 nan 8.290 nan 0.000 0.456 366 I N 2.513 123.100 120.570 0.029 0.000 2.362 366 I HA 0.305 4.474 4.170 -0.000 0.000 0.289 366 I C 1.018 177.144 176.117 0.015 0.000 0.994 366 I CA -0.050 61.267 61.300 0.027 0.000 1.158 366 I CB 1.348 39.359 38.000 0.019 0.000 1.315 366 I HN 0.825 nan 8.210 nan 0.000 0.451 367 G N 4.760 113.573 108.800 0.022 0.000 3.159 367 G HA2 0.040 3.999 3.960 -0.000 0.000 0.232 367 G HA3 0.040 3.999 3.960 -0.000 0.000 0.232 367 G C 0.396 175.322 174.900 0.043 0.000 1.116 367 G CA -0.082 45.030 45.100 0.020 0.000 0.767 367 G HN 0.631 nan 8.290 nan 0.000 0.547 368 E N 0.341 120.569 120.200 0.047 0.000 2.133 368 E HA 0.349 4.699 4.350 -0.000 0.000 0.274 368 E C -1.313 175.330 176.600 0.072 0.000 0.930 368 E CA -1.065 55.374 56.400 0.066 0.000 0.770 368 E CB 1.031 30.761 29.700 0.050 0.000 1.104 368 E HN 0.138 nan 8.360 nan 0.000 0.403 369 Y N 4.346 124.655 120.300 0.015 0.000 2.442 369 Y HA 0.158 4.708 4.550 -0.000 0.000 0.330 369 Y C -0.479 175.433 175.900 0.019 0.000 1.129 369 Y CA 0.574 58.683 58.100 0.015 0.000 1.365 369 Y CB 0.737 39.204 38.460 0.011 0.000 1.233 369 Y HN 0.504 nan 8.280 nan 0.000 0.529 370 D N 5.249 125.225 120.400 -0.706 0.000 2.990 370 D HA 0.092 4.731 4.640 -0.000 0.000 0.227 370 D C 0.166 176.154 176.300 -0.520 0.000 1.249 370 D CA -0.329 53.441 54.000 -0.383 0.000 0.891 370 D CB 1.656 42.364 40.800 -0.154 0.000 1.647 370 D HN 0.716 nan 8.370 nan 0.000 0.530 371 E N 1.800 121.884 120.200 -0.193 0.000 2.049 371 E HA -0.209 4.141 4.350 -0.000 0.000 0.198 371 E C 1.213 177.764 176.600 -0.082 0.000 1.007 371 E CA 1.261 57.619 56.400 -0.071 0.000 0.809 371 E CB 0.263 29.996 29.700 0.056 0.000 0.749 371 E HN 0.543 nan 8.360 nan 0.000 0.450 372 E N 0.591 120.758 120.200 -0.055 0.000 2.070 372 E HA -0.180 4.170 4.350 -0.000 0.000 0.197 372 E C 2.277 178.856 176.600 -0.035 0.000 1.004 372 E CA 0.861 57.246 56.400 -0.026 0.000 0.805 372 E CB -0.395 29.299 29.700 -0.009 0.000 0.744 372 E HN 0.386 nan 8.360 nan 0.000 0.451 373 I N -1.031 119.493 120.570 -0.078 0.000 2.286 373 I HA -0.132 4.038 4.170 -0.000 0.000 0.245 373 I C 1.997 178.061 176.117 -0.088 0.000 1.104 373 I CA 1.143 62.402 61.300 -0.068 0.000 1.397 373 I CB -0.176 37.773 38.000 -0.085 0.000 1.072 373 I HN 0.297 nan 8.210 nan 0.000 0.417 374 G N 0.082 108.778 108.800 -0.173 0.000 2.376 374 G HA2 -0.118 3.841 3.960 -0.000 0.000 0.208 374 G HA3 -0.118 3.841 3.960 -0.000 0.000 0.208 374 G C 0.422 175.257 174.900 -0.109 0.000 1.032 374 G CA -0.270 44.761 45.100 -0.114 0.000 0.641 374 G HN 0.771 nan 8.290 nan 0.000 0.503 375 G N -1.499 107.217 108.800 -0.140 0.000 2.548 375 G HA2 0.744 4.703 3.960 -0.000 0.000 0.301 375 G HA3 0.744 4.703 3.960 -0.000 0.000 0.301 375 G C -0.929 173.961 174.900 -0.015 0.000 1.349 375 G CA 0.623 45.721 45.100 -0.005 0.000 0.792 375 G HN 1.673 nan 8.290 nan 0.000 0.481 376 V N -2.249 117.706 119.914 0.068 0.000 2.919 376 V HA 0.760 4.880 4.120 -0.000 0.000 0.316 376 V C -0.874 175.223 176.094 0.005 0.000 1.077 376 V CA -1.123 61.199 62.300 0.037 0.000 0.977 376 V CB 2.040 33.908 31.823 0.075 0.000 1.039 376 V HN 0.629 nan 8.190 nan 0.000 0.441 377 D N 1.354 121.741 120.400 -0.021 0.000 2.294 377 D HA 0.505 5.145 4.640 -0.000 0.000 0.250 377 D C -0.589 175.659 176.300 -0.087 0.000 1.058 377 D CA -0.164 53.802 54.000 -0.057 0.000 0.950 377 D CB 1.958 42.719 40.800 -0.065 0.000 1.158 377 D HN 0.772 nan 8.370 nan 0.000 0.453 378 E N 0.184 120.304 120.200 -0.134 0.000 2.234 378 E HA 0.466 4.816 4.350 -0.000 0.000 0.266 378 E C -1.193 175.208 176.600 -0.332 0.000 0.877 378 E CA -0.810 55.431 56.400 -0.265 0.000 0.758 378 E CB 2.597 32.170 29.700 -0.212 0.000 1.170 378 E HN 0.020 nan 8.360 nan 0.000 0.415 379 V N 3.616 123.277 119.914 -0.421 0.000 2.419 379 V HA 0.271 4.391 4.120 -0.000 0.000 0.287 379 V C -1.392 174.526 176.094 -0.294 0.000 1.017 379 V CA -0.852 61.292 62.300 -0.259 0.000 0.844 379 V CB 0.286 32.055 31.823 -0.091 0.000 1.011 379 V HN 0.596 nan 8.190 nan 0.000 0.429 380 Y N 3.181 123.485 120.300 0.007 0.000 2.330 380 Y HA 0.643 5.192 4.550 -0.000 0.000 0.336 380 Y C 0.163 176.088 175.900 0.042 0.000 1.036 380 Y CA -0.854 57.257 58.100 0.018 0.000 1.125 380 Y CB 1.907 40.369 38.460 0.002 0.000 1.194 380 Y HN 0.360 nan 8.280 nan 0.000 0.469 381 V N 4.069 124.084 119.914 0.168 0.000 2.378 381 V HA 0.220 4.340 4.120 -0.000 0.000 0.288 381 V C -0.266 175.887 176.094 0.099 0.000 1.016 381 V CA -1.264 61.106 62.300 0.116 0.000 0.840 381 V CB 1.134 33.004 31.823 0.078 0.000 0.994 381 V HN 0.914 nan 8.190 nan 0.000 0.431 382 N N 4.230 122.976 118.700 0.077 0.000 2.710 382 N HA -0.228 4.512 4.740 -0.000 0.000 0.249 382 N C 1.241 176.784 175.510 0.055 0.000 1.059 382 N CA 1.699 54.778 53.050 0.047 0.000 0.720 382 N CB -0.999 37.507 38.487 0.030 0.000 0.983 382 N HN 1.481 nan 8.380 nan 0.000 0.544 383 G N -3.214 105.637 108.800 0.085 0.000 2.199 383 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.254 383 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.254 383 G C 0.032 175.054 174.900 0.202 0.000 0.982 383 G CA 0.314 45.461 45.100 0.078 0.000 0.632 383 G HN 0.499 nan 8.290 nan 0.000 0.529 384 V N 1.485 121.513 119.914 0.191 0.000 2.407 384 V HA 0.496 4.616 4.120 -0.000 0.000 0.278 384 V C 0.439 176.609 176.094 0.127 0.000 1.037 384 V CA -0.822 61.574 62.300 0.159 0.000 0.900 384 V CB 1.603 33.471 31.823 0.075 0.000 0.983 384 V HN 0.390 nan 8.190 nan 0.000 0.459 385 N N 4.087 122.809 118.700 0.037 0.000 2.405 385 N HA 0.098 4.838 4.740 -0.000 0.000 0.260 385 N C 0.578 176.009 175.510 -0.131 0.000 1.152 385 N CA -0.204 52.686 53.050 -0.267 0.000 0.948 385 N CB 1.584 39.847 38.487 -0.373 0.000 1.111 385 N HN 0.521 nan 8.380 nan 0.000 0.485 386 V N 1.070 120.916 119.914 -0.113 0.000 3.649 386 V HA 0.194 4.313 4.120 -0.000 0.000 0.275 386 V C 1.034 177.099 176.094 -0.049 0.000 1.281 386 V CA -0.304 61.966 62.300 -0.051 0.000 1.143 386 V CB -0.737 31.078 31.823 -0.013 0.000 0.892 386 V HN 0.662 nan 8.190 nan 0.000 0.441 387 C N 3.994 123.241 119.300 -0.089 0.000 2.298 387 C HA 0.617 5.076 4.460 -0.000 0.000 0.451 387 C C 1.204 176.165 174.990 -0.048 0.000 1.028 387 C CA 0.258 59.240 59.018 -0.059 0.000 1.324 387 C CB -2.043 25.648 27.740 -0.082 0.000 1.534 387 C HN 0.788 nan 8.230 nan 0.000 0.528 388 T N -0.398 114.143 114.554 -0.022 0.000 2.912 388 T HA 0.278 4.628 4.350 -0.000 0.000 0.280 388 T C 1.060 175.767 174.700 0.012 0.000 0.989 388 T CA -0.304 61.791 62.100 -0.008 0.000 0.995 388 T CB 1.093 69.959 68.868 -0.004 0.000 1.077 388 T HN 0.645 nan 8.240 nan 0.000 0.531 389 E N -0.134 120.078 120.200 0.021 0.000 2.153 389 E HA -0.171 4.179 4.350 -0.000 0.000 0.194 389 E C 2.215 178.835 176.600 0.033 0.000 0.988 389 E CA 0.759 57.178 56.400 0.033 0.000 0.811 389 E CB 0.001 29.724 29.700 0.038 0.000 0.746 389 E HN 0.670 nan 8.360 nan 0.000 0.466 390 R N 0.115 120.631 120.500 0.028 0.000 2.100 390 R HA 0.007 4.347 4.340 -0.000 0.000 0.220 390 R C 2.127 178.448 176.300 0.035 0.000 1.091 390 R CA 0.857 56.975 56.100 0.030 0.000 0.986 390 R CB 0.021 30.336 30.300 0.025 0.000 0.888 390 R HN 0.229 nan 8.270 nan 0.000 0.444 391 I N -0.300 120.289 120.570 0.031 0.000 2.585 391 I HA -0.085 4.085 4.170 -0.000 0.000 0.254 391 I C 0.488 176.633 176.117 0.047 0.000 1.129 391 I CA 0.312 61.634 61.300 0.037 0.000 1.455 391 I CB 0.520 38.534 38.000 0.023 0.000 1.111 391 I HN 0.145 nan 8.210 nan 0.000 0.433 392 C N 2.822 122.146 119.300 0.041 0.000 3.094 392 C HA 0.368 4.828 4.460 -0.000 0.000 0.262 392 C C -2.108 172.912 174.990 0.051 0.000 1.459 392 C CA -1.395 57.653 59.018 0.050 0.000 1.570 392 C CB -0.814 26.950 27.740 0.040 0.000 2.056 392 C HN 0.177 nan 8.230 nan 0.000 0.499 393 P HA 0.252 nan 4.420 nan 0.000 0.274 393 P C 0.976 178.310 177.300 0.057 0.000 1.237 393 P CA 0.034 63.164 63.100 0.050 0.000 0.793 393 P CB 1.190 32.919 31.700 0.048 0.000 0.977 394 I N 0.543 121.143 120.570 0.050 0.000 2.194 394 I HA -0.255 3.914 4.170 -0.000 0.000 0.246 394 I C 2.158 178.315 176.117 0.066 0.000 1.093 394 I CA 1.629 62.962 61.300 0.055 0.000 1.355 394 I CB -0.582 37.441 38.000 0.039 0.000 1.046 394 I HN 0.385 nan 8.210 nan 0.000 0.413 395 E N 0.619 120.852 120.200 0.055 0.000 2.265 395 E HA -0.180 4.170 4.350 -0.000 0.000 0.196 395 E C 2.071 178.702 176.600 0.051 0.000 0.996 395 E CA 0.759 57.188 56.400 0.050 0.000 0.832 395 E CB -0.242 29.482 29.700 0.039 0.000 0.756 395 E HN 0.524 nan 8.360 nan 0.000 0.491 396 R N 0.129 120.669 120.500 0.066 0.000 2.275 396 R HA 0.124 4.464 4.340 -0.000 0.000 0.199 396 R C 0.609 176.976 176.300 0.112 0.000 0.989 396 R CA 0.575 56.718 56.100 0.073 0.000 1.016 396 R CB 0.043 30.395 30.300 0.087 0.000 0.918 396 R HN 0.051 nan 8.270 nan 0.000 0.473 397 A N 0.979 123.889 122.820 0.149 0.000 2.415 397 A HA -0.141 4.179 4.320 -0.000 0.000 0.292 397 A C 0.184 177.957 177.584 0.316 0.000 1.452 397 A CA 0.406 52.595 52.037 0.253 0.000 0.750 397 A CB -1.861 17.343 19.000 0.339 0.000 1.099 397 A HN 0.078 nan 8.150 nan 0.000 0.391 398 V N 1.246 121.290 119.914 0.216 0.000 2.425 398 V HA 0.057 4.177 4.120 -0.000 0.000 0.276 398 V C 1.284 177.495 176.094 0.196 0.000 1.017 398 V CA 1.111 63.535 62.300 0.207 0.000 1.062 398 V CB 0.547 32.451 31.823 0.134 0.000 0.997 398 V HN 0.704 nan 8.190 nan 0.000 0.476 399 N N 2.736 121.573 118.700 0.228 0.000 2.294 399 N HA 0.223 4.963 4.740 -0.000 0.000 0.186 399 N C 0.642 176.165 175.510 0.022 0.000 1.107 399 N CA 0.566 53.699 53.050 0.137 0.000 0.884 399 N CB 0.877 39.468 38.487 0.172 0.000 1.030 399 N HN 0.753 nan 8.380 nan 0.000 0.482 400 G N 0.325 109.146 108.800 0.033 0.000 2.702 400 G HA2 0.546 4.505 3.960 -0.000 0.000 0.295 400 G HA3 0.546 4.505 3.960 -0.000 0.000 0.295 400 G C -1.833 173.002 174.900 -0.107 0.000 1.446 400 G CA -0.298 44.725 45.100 -0.129 0.000 0.983 400 G HN 0.054 nan 8.290 nan 0.000 0.520 401 L N 2.649 123.755 121.223 -0.195 0.000 2.343 401 L HA 0.731 5.071 4.340 -0.000 0.000 0.278 401 L C -1.266 175.498 176.870 -0.177 0.000 0.996 401 L CA -1.355 53.427 54.840 -0.096 0.000 0.831 401 L CB 0.777 42.820 42.059 -0.027 0.000 1.232 401 L HN 0.510 nan 8.230 nan 0.000 0.413 402 W N 5.100 126.303 121.300 -0.163 0.000 2.316 402 W HA 0.597 5.257 4.660 -0.000 0.000 0.311 402 W C -0.460 176.090 176.519 0.051 0.000 1.217 402 W CA -0.366 56.917 57.345 -0.103 0.000 1.199 402 W CB 1.340 30.631 29.460 -0.282 0.000 1.202 402 W HN 0.225 nan 8.180 nan 0.000 0.528 403 V N 6.357 126.466 119.914 0.325 0.000 2.443 403 V HA 0.594 4.714 4.120 -0.000 0.000 0.293 403 V C -0.537 175.796 176.094 0.398 0.000 1.021 403 V CA -0.808 61.645 62.300 0.254 0.000 0.848 403 V CB 0.212 32.102 31.823 0.112 0.000 0.998 403 V HN 0.381 nan 8.190 nan 0.000 0.424 404 F N 1.481 121.488 119.950 0.095 0.000 2.858 404 F HA 0.601 5.127 4.527 -0.000 0.000 0.319 404 F C -1.059 174.789 175.800 0.079 0.000 1.166 404 F CA -1.487 56.572 58.000 0.098 0.000 0.899 404 F CB 1.325 40.406 39.000 0.135 0.000 1.332 404 F HN 0.340 nan 8.300 nan 0.000 0.461 405 D N 2.340 122.749 120.400 0.015 0.000 2.470 405 D HA 0.113 4.753 4.640 -0.000 0.000 0.226 405 D C 0.002 176.206 176.300 -0.160 0.000 1.196 405 D CA -0.120 53.824 54.000 -0.094 0.000 0.979 405 D CB 0.250 41.072 40.800 0.037 0.000 1.059 405 D HN 0.677 nan 8.370 nan 0.000 0.515 406 R N 2.404 122.615 120.500 -0.482 0.000 2.538 406 R HA 0.219 4.559 4.340 -0.000 0.000 0.282 406 R C 1.063 177.330 176.300 -0.055 0.000 1.009 406 R CA 1.238 57.163 56.100 -0.292 0.000 1.063 406 R CB -0.067 30.030 30.300 -0.337 0.000 0.945 406 R HN 0.667 nan 8.270 nan 0.000 0.414 407 G N 2.916 111.747 108.800 0.052 0.000 2.253 407 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.251 407 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.251 407 G C 0.553 175.485 174.900 0.054 0.000 0.998 407 G CA 0.477 45.604 45.100 0.046 0.000 0.621 407 G HN 1.685 nan 8.290 nan 0.000 0.524 408 A N -0.199 122.661 122.820 0.067 0.000 2.704 408 A HA -0.046 4.274 4.320 -0.000 0.000 0.299 408 A C 1.237 178.847 177.584 0.044 0.000 1.507 408 A CA 2.274 54.353 52.037 0.070 0.000 0.776 408 A CB -1.744 17.307 19.000 0.085 0.000 1.027 408 A HN 1.972 nan 8.150 nan 0.000 0.475 409 D N -1.746 118.671 120.400 0.028 0.000 2.398 409 D HA 0.388 5.028 4.640 -0.000 0.000 0.210 409 D C 1.345 177.654 176.300 0.015 0.000 1.094 409 D CA 0.758 54.769 54.000 0.019 0.000 0.839 409 D CB -0.554 40.253 40.800 0.012 0.000 0.963 409 D HN 1.714 nan 8.370 nan 0.000 0.506 410 G N 0.396 109.206 108.800 0.016 0.000 2.155 410 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.257 410 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.257 410 G C -0.026 174.877 174.900 0.005 0.000 0.983 410 G CA 0.291 45.400 45.100 0.013 0.000 0.676 410 G HN 0.463 nan 8.290 nan 0.000 0.528 411 K N 0.343 120.742 120.400 -0.002 0.000 2.345 411 K HA 0.548 4.868 4.320 -0.000 0.000 0.255 411 K C -0.436 176.152 176.600 -0.020 0.000 0.934 411 K CA -0.581 55.702 56.287 -0.007 0.000 0.801 411 K CB 1.855 34.352 32.500 -0.006 0.000 1.137 411 K HN 0.042 nan 8.250 nan 0.000 0.424 412 S N 2.467 118.156 115.700 -0.017 0.000 2.955 412 S HA 0.100 4.569 4.470 -0.000 0.000 0.294 412 S C -0.657 173.929 174.600 -0.024 0.000 1.198 412 S CA -0.575 57.609 58.200 -0.026 0.000 1.008 412 S CB -0.169 63.023 63.200 -0.014 0.000 1.279 412 S HN 0.405 nan 8.310 nan 0.000 0.508 413 D N 3.099 123.479 120.400 -0.033 0.000 2.631 413 D HA 0.147 4.787 4.640 -0.000 0.000 0.227 413 D C 1.193 177.477 176.300 -0.027 0.000 1.146 413 D CA -0.147 53.838 54.000 -0.024 0.000 1.009 413 D CB 0.510 41.297 40.800 -0.022 0.000 1.057 413 D HN 0.396 nan 8.370 nan 0.000 0.509 414 L N 0.286 121.496 121.223 -0.021 0.000 2.191 414 L HA -0.156 4.184 4.340 -0.000 0.000 0.212 414 L C 1.384 178.249 176.870 -0.008 0.000 1.103 414 L CA 1.027 55.856 54.840 -0.018 0.000 0.769 414 L CB 0.096 42.149 42.059 -0.010 0.000 0.908 414 L HN 0.046 nan 8.230 nan 0.000 0.438 415 D N -0.186 120.212 120.400 -0.003 0.000 2.355 415 D HA 0.009 4.649 4.640 -0.000 0.000 0.218 415 D C 0.628 176.931 176.300 0.005 0.000 1.004 415 D CA 0.536 54.538 54.000 0.003 0.000 0.880 415 D CB 0.137 40.940 40.800 0.005 0.000 0.911 415 D HN 0.226 nan 8.370 nan 0.000 0.528 416 R N 1.593 122.093 120.500 0.001 0.000 2.204 416 R HA 0.184 4.524 4.340 -0.000 0.000 0.341 416 R C 0.233 176.538 176.300 0.009 0.000 1.035 416 R CA -0.362 55.740 56.100 0.005 0.000 0.887 416 R CB 1.330 31.629 30.300 -0.001 0.000 1.114 416 R HN 0.074 nan 8.270 nan 0.000 0.473 417 E N 2.373 122.587 120.200 0.022 0.000 2.481 417 E HA -0.062 4.288 4.350 -0.000 0.000 0.263 417 E C -0.601 176.029 176.600 0.050 0.000 0.992 417 E CA -0.024 56.399 56.400 0.039 0.000 0.938 417 E CB 0.725 30.453 29.700 0.048 0.000 0.933 417 E HN 0.224 nan 8.360 nan 0.000 0.453 418 V N 6.970 126.931 119.914 0.079 0.000 2.267 418 V HA -0.028 4.092 4.120 -0.000 0.000 0.254 418 V C 1.364 177.562 176.094 0.173 0.000 1.144 418 V CA -0.241 62.135 62.300 0.127 0.000 0.992 418 V CB 0.571 32.505 31.823 0.184 0.000 1.199 418 V HN 0.714 nan 8.190 nan 0.000 0.493 419 V N 5.628 125.606 119.914 0.107 0.000 2.313 419 V HA -0.332 3.787 4.120 -0.000 0.000 0.253 419 V C 2.705 178.838 176.094 0.065 0.000 1.070 419 V CA 2.869 65.217 62.300 0.080 0.000 1.057 419 V CB -0.819 31.031 31.823 0.046 0.000 0.653 419 V HN 1.016 nan 8.190 nan 0.000 0.450 420 R N -0.651 119.862 120.500 0.021 0.000 2.211 420 R HA -0.212 4.127 4.340 -0.000 0.000 0.240 420 R C 1.835 177.994 176.300 -0.235 0.000 1.144 420 R CA 2.240 58.260 56.100 -0.133 0.000 0.992 420 R CB -0.635 29.517 30.300 -0.247 0.000 0.869 420 R HN 0.553 nan 8.270 nan 0.000 0.462 421 Y N 1.450 121.765 120.300 0.024 0.000 2.457 421 Y HA 0.121 4.671 4.550 -0.000 0.000 0.263 421 Y C 2.388 178.326 175.900 0.063 0.000 1.164 421 Y CA 0.486 58.606 58.100 0.033 0.000 1.274 421 Y CB 0.600 39.093 38.460 0.055 0.000 1.097 421 Y HN 0.223 nan 8.280 nan 0.000 0.523 422 S N -0.489 115.310 115.700 0.166 0.000 2.419 422 S HA -0.176 4.294 4.470 -0.000 0.000 0.233 422 S C 1.721 176.380 174.600 0.099 0.000 1.016 422 S CA 1.164 59.438 58.200 0.123 0.000 0.974 422 S CB -0.406 62.845 63.200 0.086 0.000 0.786 422 S HN 0.327 nan 8.310 nan 0.000 0.492 423 I N 1.034 121.654 120.570 0.084 0.000 2.876 423 I HA 0.203 4.373 4.170 -0.000 0.000 0.264 423 I C 0.679 176.868 176.117 0.120 0.000 1.204 423 I CA 0.150 61.496 61.300 0.077 0.000 1.485 423 I CB -0.397 37.630 38.000 0.046 0.000 1.103 423 I HN 0.265 nan 8.210 nan 0.000 0.446 424 M N 2.451 122.146 119.600 0.158 0.000 2.233 424 M HA 0.251 4.731 4.480 -0.000 0.000 0.350 424 M C -2.142 174.288 176.300 0.216 0.000 1.176 424 M CA -2.280 53.156 55.300 0.226 0.000 1.150 424 M CB -0.487 32.285 32.600 0.287 0.000 1.530 424 M HN -0.122 nan 8.290 nan 0.000 0.459 425 P HA 0.146 nan 4.420 nan 0.000 0.271 425 P C -0.533 176.923 177.300 0.261 0.000 1.226 425 P CA -0.078 63.084 63.100 0.103 0.000 0.765 425 P CB 0.096 31.914 31.700 0.197 0.000 0.835 426 F N -0.971 119.119 119.950 0.234 0.000 3.069 426 F HA -0.245 4.282 4.527 -0.000 0.000 0.285 426 F C 0.568 176.485 175.800 0.195 0.000 0.827 426 F CA 0.919 59.049 58.000 0.216 0.000 1.108 426 F CB -2.219 36.928 39.000 0.245 0.000 1.252 426 F HN 0.323 nan 8.300 nan 0.000 0.483 427 M N -1.145 118.642 119.600 0.312 0.000 2.690 427 M HA 0.684 5.164 4.480 -0.000 0.000 0.302 427 M C 0.135 176.577 176.300 0.236 0.000 1.234 427 M CA -0.620 54.855 55.300 0.291 0.000 0.853 427 M CB 2.598 35.437 32.600 0.399 0.000 1.748 427 M HN 0.029 nan 8.290 nan 0.000 0.469 428 S N -0.097 115.716 115.700 0.188 0.000 2.727 428 S HA 0.959 5.428 4.470 -0.000 0.000 0.278 428 S C -2.143 172.458 174.600 0.003 0.000 1.186 428 S CA -0.440 57.833 58.200 0.122 0.000 0.836 428 S CB 1.955 65.219 63.200 0.106 0.000 1.186 428 S HN 0.868 nan 8.310 nan 0.000 0.499 429 A N 0.290 123.106 122.820 -0.007 0.000 2.594 429 A HA 0.918 5.238 4.320 -0.000 0.000 0.295 429 A C -1.184 176.414 177.584 0.022 0.000 1.071 429 A CA -0.122 51.901 52.037 -0.023 0.000 0.685 429 A CB 1.305 20.217 19.000 -0.147 0.000 1.285 429 A HN 1.563 nan 8.150 nan 0.000 0.405 430 A N 0.801 123.630 122.820 0.015 0.000 2.356 430 A HA 0.650 4.970 4.320 -0.000 0.000 0.310 430 A C -1.179 176.331 177.584 -0.123 0.000 1.075 430 A CA -0.394 51.625 52.037 -0.030 0.000 0.746 430 A CB 1.085 20.082 19.000 -0.004 0.000 1.221 430 A HN 0.795 nan 8.150 nan 0.000 0.443 431 D N 2.222 122.529 120.400 -0.155 0.000 2.422 431 D HA 0.412 5.051 4.640 -0.000 0.000 0.227 431 D C -1.027 175.196 176.300 -0.129 0.000 1.190 431 D CA 0.304 54.163 54.000 -0.235 0.000 0.905 431 D CB 0.235 40.924 40.800 -0.185 0.000 1.034 431 D HN 0.334 nan 8.370 nan 0.000 0.507 432 L N 4.543 125.701 121.223 -0.108 0.000 2.410 432 L HA 0.445 4.784 4.340 -0.000 0.000 0.270 432 L C -1.266 175.595 176.870 -0.015 0.000 0.983 432 L CA -0.883 53.934 54.840 -0.038 0.000 0.822 432 L CB 2.122 44.178 42.059 -0.005 0.000 1.285 432 L HN 0.062 nan 8.230 nan 0.000 0.409 433 V N 5.858 125.771 119.914 -0.003 0.000 2.470 433 V HA 0.300 4.420 4.120 -0.000 0.000 0.276 433 V C -0.198 175.913 176.094 0.027 0.000 1.040 433 V CA -0.241 62.069 62.300 0.016 0.000 1.008 433 V CB 1.204 33.034 31.823 0.011 0.000 0.990 433 V HN 0.529 nan 8.190 nan 0.000 0.477 434 V N 8.385 128.325 119.914 0.043 0.000 2.325 434 V HA 0.309 4.429 4.120 -0.000 0.000 0.280 434 V C -2.327 173.789 176.094 0.036 0.000 1.016 434 V CA -1.946 60.378 62.300 0.040 0.000 0.818 434 V CB 1.613 33.469 31.823 0.054 0.000 1.019 434 V HN 0.739 nan 8.190 nan 0.000 0.434 435 P HA 0.082 nan 4.420 nan 0.000 0.264 435 P C 0.090 177.393 177.300 0.004 0.000 1.193 435 P CA 0.105 63.213 63.100 0.013 0.000 0.763 435 P CB 0.668 32.368 31.700 0.001 0.000 0.810 436 A N 3.735 126.561 122.820 0.010 0.000 3.074 436 A HA 0.164 4.484 4.320 -0.000 0.000 0.251 436 A C 0.255 177.816 177.584 -0.039 0.000 1.695 436 A CA -0.051 51.984 52.037 -0.004 0.000 1.343 436 A CB -0.922 18.096 19.000 0.031 0.000 1.078 436 A HN 0.591 nan 8.150 nan 0.000 0.644 437 E N -0.497 119.670 120.200 -0.055 0.000 2.308 437 E HA 0.606 4.956 4.350 -0.000 0.000 0.275 437 E C 0.423 176.967 176.600 -0.092 0.000 0.890 437 E CA -0.639 55.718 56.400 -0.072 0.000 0.754 437 E CB 1.192 30.863 29.700 -0.047 0.000 1.207 437 E HN 0.945 nan 8.360 nan 0.000 0.426 438 G N 2.731 111.459 108.800 -0.119 0.000 2.531 438 G HA2 -0.299 3.660 3.960 -0.000 0.000 0.274 438 G HA3 -0.299 3.660 3.960 -0.000 0.000 0.274 438 G C 0.098 174.903 174.900 -0.158 0.000 1.159 438 G CA 0.313 45.338 45.100 -0.124 0.000 0.969 438 G HN 1.230 nan 8.290 nan 0.000 0.554 439 T N -1.590 112.889 114.554 -0.125 0.000 2.910 439 T HA 0.773 5.123 4.350 -0.000 0.000 0.287 439 T C -0.099 174.545 174.700 -0.094 0.000 1.050 439 T CA -0.468 61.551 62.100 -0.135 0.000 1.011 439 T CB 2.177 70.977 68.868 -0.113 0.000 1.195 439 T HN 1.010 nan 8.240 nan 0.000 0.540 440 I N 1.159 121.677 120.570 -0.088 0.000 2.465 440 I HA 0.473 4.643 4.170 -0.000 0.000 0.291 440 I C -0.078 176.023 176.117 -0.026 0.000 1.014 440 I CA -0.890 60.383 61.300 -0.046 0.000 1.093 440 I CB 2.214 40.189 38.000 -0.041 0.000 1.267 440 I HN 0.668 nan 8.210 nan 0.000 0.431 441 S N 6.706 122.409 115.700 0.005 0.000 2.462 441 S HA 0.741 5.211 4.470 -0.000 0.000 0.294 441 S C -0.720 173.928 174.600 0.081 0.000 1.144 441 S CA -0.377 57.844 58.200 0.035 0.000 1.088 441 S CB 0.385 63.597 63.200 0.020 0.000 1.009 441 S HN 0.418 nan 8.310 nan 0.000 0.484 442 I N 3.572 124.225 120.570 0.138 0.000 2.499 442 I HA 0.650 4.820 4.170 -0.000 0.000 0.288 442 I C -0.420 175.856 176.117 0.265 0.000 1.048 442 I CA -0.560 60.866 61.300 0.210 0.000 1.062 442 I CB 1.978 40.110 38.000 0.219 0.000 1.238 442 I HN 0.710 nan 8.210 nan 0.000 0.426 443 A N 5.342 128.294 122.820 0.220 0.000 2.427 443 A HA 0.789 5.109 4.320 -0.000 0.000 0.298 443 A C -1.586 176.031 177.584 0.054 0.000 1.036 443 A CA -0.646 51.478 52.037 0.144 0.000 0.701 443 A CB 2.050 21.119 19.000 0.114 0.000 1.250 443 A HN 0.490 nan 8.150 nan 0.000 0.412 444 V N 2.480 122.310 119.914 -0.141 0.000 2.495 444 V HA 0.648 4.767 4.120 -0.000 0.000 0.298 444 V C -0.771 175.223 176.094 -0.167 0.000 1.031 444 V CA -0.607 61.513 62.300 -0.300 0.000 0.871 444 V CB 1.637 32.976 31.823 -0.807 0.000 0.988 444 V HN 0.814 nan 8.190 nan 0.000 0.432 445 K N 4.631 124.970 120.400 -0.101 0.000 2.449 445 K HA 0.446 4.765 4.320 -0.000 0.000 0.257 445 K C -0.323 176.217 176.600 -0.099 0.000 0.989 445 K CA -0.072 56.177 56.287 -0.063 0.000 0.916 445 K CB 1.668 34.186 32.500 0.030 0.000 1.136 445 K HN 0.671 nan 8.250 nan 0.000 0.439 446 S N 1.936 117.560 115.700 -0.127 0.000 2.564 446 S HA 0.039 4.509 4.470 -0.000 0.000 0.278 446 S C 1.402 175.951 174.600 -0.085 0.000 1.333 446 S CA -0.526 57.598 58.200 -0.126 0.000 1.048 446 S CB 0.563 63.663 63.200 -0.167 0.000 0.900 446 S HN 0.731 nan 8.310 nan 0.000 0.505 447 R N 2.066 122.527 120.500 -0.065 0.000 2.193 447 R HA -0.063 4.277 4.340 -0.000 0.000 0.229 447 R C 1.300 177.578 176.300 -0.037 0.000 1.110 447 R CA 1.749 57.827 56.100 -0.036 0.000 0.988 447 R CB -1.264 29.021 30.300 -0.025 0.000 0.871 447 R HN 0.690 nan 8.270 nan 0.000 0.458 448 T N -2.827 111.690 114.554 -0.062 0.000 3.086 448 T HA 0.395 4.745 4.350 -0.000 0.000 0.250 448 T C 0.708 175.356 174.700 -0.086 0.000 1.074 448 T CA -0.007 62.060 62.100 -0.054 0.000 0.988 448 T CB 0.692 69.540 68.868 -0.035 0.000 0.988 448 T HN 0.583 nan 8.240 nan 0.000 0.530 449 G N -0.634 108.105 108.800 -0.102 0.000 2.640 449 G HA2 0.467 4.427 3.960 -0.000 0.000 0.686 449 G HA3 0.467 4.427 3.960 -0.000 0.000 0.686 449 G C -0.022 174.787 174.900 -0.152 0.000 1.229 449 G CA -0.507 44.530 45.100 -0.105 0.000 0.796 449 G HN 1.777 nan 8.290 nan 0.000 0.654 450 G N 0.159 108.886 108.800 -0.121 0.000 2.707 450 G HA2 0.577 4.537 3.960 -0.000 0.000 0.686 450 G HA3 0.577 4.537 3.960 -0.000 0.000 0.686 450 G C -0.374 174.448 174.900 -0.130 0.000 1.315 450 G CA 0.732 45.751 45.100 -0.136 0.000 0.832 450 G HN 2.515 nan 8.290 nan 0.000 0.573 451 E N -0.879 119.247 120.200 -0.124 0.000 2.433 451 E HA 0.777 5.127 4.350 -0.000 0.000 0.278 451 E C -0.750 175.774 176.600 -0.127 0.000 0.976 451 E CA -0.991 55.337 56.400 -0.120 0.000 0.793 451 E CB 2.726 32.375 29.700 -0.086 0.000 1.311 451 E HN 0.784 nan 8.360 nan 0.000 0.460 452 E N 0.935 121.057 120.200 -0.130 0.000 2.343 452 E HA 0.427 4.777 4.350 -0.000 0.000 0.278 452 E C -1.749 174.797 176.600 -0.089 0.000 0.910 452 E CA -0.593 55.727 56.400 -0.134 0.000 0.757 452 E CB 2.033 31.669 29.700 -0.107 0.000 1.218 452 E HN 0.655 nan 8.360 nan 0.000 0.435 453 S N 2.066 117.678 115.700 -0.148 0.000 2.595 453 S HA 0.793 5.262 4.470 -0.000 0.000 0.281 453 S C -1.055 173.444 174.600 -0.168 0.000 1.117 453 S CA -0.774 57.411 58.200 -0.025 0.000 0.873 453 S CB 0.971 64.159 63.200 -0.020 0.000 1.108 453 S HN 0.329 nan 8.310 nan 0.000 0.477 454 F N -0.135 119.838 119.950 0.037 0.000 2.599 454 F HA 0.698 5.225 4.527 -0.000 0.000 0.311 454 F C 0.029 175.806 175.800 -0.038 0.000 1.076 454 F CA -0.501 57.501 58.000 0.003 0.000 0.937 454 F CB 2.744 41.746 39.000 0.004 0.000 1.282 454 F HN 0.611 nan 8.300 nan 0.000 0.460 455 T N 3.957 118.587 114.554 0.126 0.000 2.881 455 T HA 0.756 5.106 4.350 -0.000 0.000 0.291 455 T C -0.754 173.905 174.700 -0.069 0.000 0.990 455 T CA -0.458 61.649 62.100 0.012 0.000 0.976 455 T CB 0.920 69.779 68.868 -0.016 0.000 0.970 455 T HN 0.562 nan 8.240 nan 0.000 0.438 456 I N 0.483 120.958 120.570 -0.157 0.000 3.074 456 I HA 0.789 4.959 4.170 -0.000 0.000 0.310 456 I C -3.125 172.838 176.117 -0.256 0.000 1.153 456 I CA -3.556 57.571 61.300 -0.289 0.000 0.993 456 I CB 2.117 39.745 38.000 -0.620 0.000 1.237 456 I HN 0.236 nan 8.210 nan 0.000 0.443 457 P HA 0.165 nan 4.420 nan 0.000 0.271 457 P C -0.635 176.366 177.300 -0.499 0.000 1.218 457 P CA -0.261 62.522 63.100 -0.529 0.000 0.780 457 P CB 0.765 31.875 31.700 -0.985 0.000 0.901 458 A N 3.337 125.923 122.820 -0.390 0.000 3.056 458 A HA 0.199 4.519 4.320 -0.000 0.000 0.274 458 A C -0.526 176.946 177.584 -0.187 0.000 1.661 458 A CA -0.634 51.278 52.037 -0.208 0.000 1.363 458 A CB -1.274 17.651 19.000 -0.125 0.000 1.139 458 A HN 0.486 nan 8.150 nan 0.000 0.598 459 W N 1.795 122.994 121.300 -0.168 0.000 2.223 459 W HA 0.272 4.932 4.660 -0.000 0.000 0.334 459 W C 1.040 177.525 176.519 -0.058 0.000 1.334 459 W CA 0.436 57.631 57.345 -0.249 0.000 1.246 459 W CB 0.531 29.744 29.460 -0.413 0.000 1.184 459 W HN 0.675 nan 8.180 nan 0.000 0.563 460 S N 1.751 117.603 115.700 0.252 0.000 2.565 460 S HA 0.454 4.924 4.470 -0.000 0.000 0.276 460 S C 0.886 175.649 174.600 0.271 0.000 1.326 460 S CA -0.382 57.956 58.200 0.230 0.000 1.045 460 S CB 1.646 64.959 63.200 0.188 0.000 0.918 460 S HN 0.691 nan 8.310 nan 0.000 0.505 461 A N 1.951 124.882 122.820 0.185 0.000 2.121 461 A HA -0.070 4.250 4.320 -0.000 0.000 0.218 461 A C 1.847 179.490 177.584 0.099 0.000 1.154 461 A CA 1.183 53.309 52.037 0.149 0.000 0.679 461 A CB -0.778 18.306 19.000 0.141 0.000 0.795 461 A HN 0.977 nan 8.150 nan 0.000 0.458 462 D N -0.244 120.214 120.400 0.096 0.000 2.178 462 D HA -0.172 4.468 4.640 -0.000 0.000 0.202 462 D C 1.650 177.948 176.300 -0.005 0.000 0.974 462 D CA 1.252 55.282 54.000 0.050 0.000 0.841 462 D CB -0.318 40.514 40.800 0.054 0.000 0.953 462 D HN 0.540 nan 8.370 nan 0.000 0.478 463 R N -1.364 119.122 120.500 -0.023 0.000 2.469 463 R HA 0.202 4.542 4.340 -0.000 0.000 0.250 463 R C 0.242 176.256 176.300 -0.476 0.000 0.909 463 R CA -0.201 55.757 56.100 -0.237 0.000 1.050 463 R CB 0.830 30.950 30.300 -0.300 0.000 1.256 463 R HN 0.251 nan 8.270 nan 0.000 0.550 464 H N -0.507 118.552 119.070 -0.018 0.000 2.821 464 H HA 0.463 5.019 4.556 -0.000 0.000 0.373 464 H C -0.763 174.527 175.328 -0.063 0.000 1.165 464 H CA -0.668 55.347 56.048 -0.054 0.000 1.154 464 H CB 2.469 32.278 29.762 0.079 0.000 1.765 464 H HN -0.149 nan 8.280 nan 0.000 0.549 465 S N 1.773 117.461 115.700 -0.020 0.000 2.521 465 S HA 0.497 4.967 4.470 -0.000 0.000 0.295 465 S C -0.071 174.579 174.600 0.084 0.000 1.098 465 S CA -0.680 57.530 58.200 0.016 0.000 0.999 465 S CB 1.280 64.463 63.200 -0.028 0.000 1.034 465 S HN 0.349 nan 8.310 nan 0.000 0.483 466 I N 3.118 123.747 120.570 0.098 0.000 2.404 466 I HA 0.502 4.672 4.170 -0.000 0.000 0.293 466 I C -1.235 174.858 176.117 -0.041 0.000 0.992 466 I CA -0.717 60.649 61.300 0.110 0.000 1.149 466 I CB 1.432 39.545 38.000 0.188 0.000 1.315 466 I HN 0.426 nan 8.210 nan 0.000 0.446 467 I N 6.849 127.355 120.570 -0.107 0.000 2.466 467 I HA 0.398 4.568 4.170 -0.000 0.000 0.289 467 I C -0.557 175.475 176.117 -0.141 0.000 1.026 467 I CA -0.545 60.612 61.300 -0.238 0.000 1.078 467 I CB 1.965 39.705 38.000 -0.433 0.000 1.249 467 I HN 0.122 nan 8.210 nan 0.000 0.429 468 V N 5.735 125.464 119.914 -0.309 0.000 2.444 468 V HA 0.445 4.565 4.120 -0.000 0.000 0.294 468 V C -0.346 175.360 176.094 -0.647 0.000 1.022 468 V CA -0.646 61.368 62.300 -0.476 0.000 0.850 468 V CB 1.641 33.041 31.823 -0.706 0.000 0.992 468 V HN 0.751 nan 8.190 nan 0.000 0.426 469 Q N 3.893 123.397 119.800 -0.494 0.000 2.347 469 Q HA 0.535 4.875 4.340 -0.000 0.000 0.262 469 Q C -1.342 174.507 176.000 -0.251 0.000 0.980 469 Q CA -0.565 54.974 55.803 -0.439 0.000 0.867 469 Q CB 0.924 29.469 28.738 -0.321 0.000 1.242 469 Q HN 0.580 nan 8.270 nan 0.000 0.453 470 F N 1.122 120.999 119.950 -0.123 0.000 2.418 470 F HA 0.235 4.762 4.527 -0.000 0.000 0.341 470 F C 0.841 176.619 175.800 -0.037 0.000 1.120 470 F CA -0.504 57.502 58.000 0.009 0.000 1.232 470 F CB 1.077 40.066 39.000 -0.018 0.000 1.175 470 F HN 0.397 nan 8.300 nan 0.000 0.569 471 S N 0.985 116.809 115.700 0.207 0.000 2.562 471 S HA 0.048 4.518 4.470 -0.000 0.000 0.281 471 S C 0.587 175.219 174.600 0.053 0.000 1.333 471 S CA -0.551 57.694 58.200 0.076 0.000 1.052 471 S CB 0.495 63.717 63.200 0.037 0.000 0.884 471 S HN 0.598 nan 8.310 nan 0.000 0.506 472 D N -0.149 120.278 120.400 0.045 0.000 2.349 472 D HA 0.034 4.674 4.640 -0.000 0.000 0.224 472 D C -0.251 176.111 176.300 0.103 0.000 1.029 472 D CA 0.286 54.322 54.000 0.060 0.000 0.879 472 D CB -0.197 40.649 40.800 0.076 0.000 0.906 472 D HN 0.520 nan 8.370 nan 0.000 0.528 473 Y N -0.253 120.010 120.300 -0.061 0.000 2.390 473 Y HA 0.360 4.910 4.550 -0.000 0.000 0.324 473 Y C -1.715 174.140 175.900 -0.075 0.000 1.151 473 Y CA -1.077 56.975 58.100 -0.080 0.000 1.053 473 Y CB 1.279 39.672 38.460 -0.113 0.000 1.277 473 Y HN -0.205 nan 8.280 nan 0.000 0.432 474 I N 7.052 127.238 120.570 -0.640 0.000 2.355 474 I HA 0.359 4.529 4.170 -0.000 0.000 0.288 474 I C -0.176 175.636 176.117 -0.508 0.000 0.999 474 I CA -0.886 60.173 61.300 -0.401 0.000 1.163 474 I CB 1.229 39.042 38.000 -0.311 0.000 1.316 474 I HN 0.347 nan 8.210 nan 0.000 0.454 475 V N 0.000 119.801 119.914 -0.188 0.000 2.409 475 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 475 V CA 0.000 62.271 62.300 -0.048 0.000 1.235 475 V CB 0.000 31.855 31.823 0.054 0.000 1.184 475 V HN 0.000 nan 8.190 nan 0.000 0.556