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 3nrr_1_B DATA FIRST_RESID 4 DATA SEQUENCE SYEGCGDLTI FVAVALNKVI GHKNQIPWPH ITHDFRFLRN GTTYIPPEVL DATA SEQUENCE SKNPDIQNVV IFGRKTYESI PKASLPLKNR INVILSRTVK EVPGCLVYED DATA SEQUENCE LSTAIRDLRA NVPHNKIFIL GGSFLYKEVL DNGLCDKIYL TRLNKEYPGD DATA SEQUENCE TYFPDIPDTF EITAISPTFS TDFVSYDFVI YERKDXXXXX XXPPFDQLLM DATA SEQUENCE TGTDISVPKP KYVACPGVRI RNHEEFQYLD ILADVLSHGV LKPNRTGTDA DATA SEQUENCE YSKFGYQMRF DLSRSFPLLT TKKVALRSII EELLWFIKGS TNGNDLLAKN DATA SEQUENCE VRIWELNGRR DFLDKNGFTD REEHDLGPIY GFQWRHFGAE YLDMHADYTG DATA SEQUENCE KGIDQLAEII NRIKTNPNDR RLIVCSWNVS DLKKMALPPC HCFFQFYVSD DATA SEQUENCE NKLSCMMHQR SCDLGLGVPF NIASYSILTA MVAQVCGLGL GEFVHNLADA DATA SEQUENCE HIYVDHVDAV TTQIARIPHP FPRLRLNPDI RNIEDFTIDD IVVEDYVSHP DATA SEQUENCE PIPMAMSA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 S HA 0.000 nan 4.470 nan 0.000 0.327 4 S C 0.000 174.392 174.600 -0.347 0.000 1.055 4 S CA 0.000 58.061 58.200 -0.232 0.000 1.107 4 S CB 0.000 62.994 63.200 -0.343 0.000 0.593 5 Y N 2.945 123.247 120.300 0.004 0.000 2.625 5 Y HA 0.502 5.051 4.550 -0.000 0.000 0.285 5 Y C 0.972 176.872 175.900 0.001 0.000 1.168 5 Y CA -0.025 58.076 58.100 0.002 0.000 1.250 5 Y CB -0.417 38.049 38.460 0.009 0.000 1.130 5 Y HN 0.370 nan 8.280 nan 0.000 0.526 6 E N 0.604 120.854 120.200 0.084 0.000 2.480 6 E HA 0.360 4.710 4.350 -0.000 0.000 0.258 6 E C 1.428 178.058 176.600 0.050 0.000 0.984 6 E CA 0.418 56.853 56.400 0.057 0.000 0.930 6 E CB -0.461 29.253 29.700 0.024 0.000 0.936 6 E HN 0.806 nan 8.360 nan 0.000 0.466 7 G N 0.829 109.659 108.800 0.049 0.000 2.148 7 G HA2 -0.288 3.671 3.960 -0.000 0.000 0.254 7 G HA3 -0.288 3.671 3.960 -0.000 0.000 0.254 7 G C 0.865 175.793 174.900 0.047 0.000 0.981 7 G CA 0.573 45.696 45.100 0.038 0.000 0.670 7 G HN 1.243 nan 8.290 nan 0.000 0.528 8 C N 1.136 120.483 119.300 0.077 0.000 2.760 8 C HA 0.645 5.105 4.460 -0.000 0.000 0.293 8 C C 1.821 176.848 174.990 0.063 0.000 1.383 8 C CA -0.319 58.750 59.018 0.086 0.000 1.771 8 C CB -0.744 27.104 27.740 0.179 0.000 2.353 8 C HN 0.876 nan 8.230 nan 0.000 0.578 9 G N -0.317 108.512 108.800 0.048 0.000 2.537 9 G HA2 0.456 4.416 3.960 -0.000 0.000 0.297 9 G HA3 0.456 4.416 3.960 -0.000 0.000 0.297 9 G C -0.068 174.852 174.900 0.033 0.000 1.310 9 G CA 0.171 45.292 45.100 0.035 0.000 1.027 9 G HN 0.313 nan 8.290 nan 0.000 0.505 10 D N -1.752 118.671 120.400 0.039 0.000 2.746 10 D HA -0.165 4.475 4.640 -0.000 0.000 0.236 10 D C 0.077 176.394 176.300 0.027 0.000 1.129 10 D CA 0.459 54.483 54.000 0.039 0.000 0.691 10 D CB -1.475 39.341 40.800 0.026 0.000 1.077 10 D HN 0.312 nan 8.370 nan 0.000 0.432 11 L N -0.067 121.184 121.223 0.046 0.000 2.357 11 L HA 0.488 4.828 4.340 -0.000 0.000 0.273 11 L C 1.006 177.930 176.870 0.091 0.000 1.080 11 L CA -0.397 54.466 54.840 0.038 0.000 0.803 11 L CB 1.636 43.729 42.059 0.057 0.000 1.174 11 L HN -0.045 nan 8.230 nan 0.000 0.443 12 T N 3.223 117.829 114.554 0.086 0.000 2.792 12 T HA 0.528 4.878 4.350 -0.000 0.000 0.280 12 T C -0.077 174.879 174.700 0.427 0.000 0.990 12 T CA -0.331 61.916 62.100 0.245 0.000 0.960 12 T CB 1.116 70.132 68.868 0.246 0.000 0.939 12 T HN 0.263 nan 8.240 nan 0.000 0.439 13 I N 3.369 124.169 120.570 0.383 0.000 2.365 13 I HA 0.393 4.562 4.170 -0.000 0.000 0.291 13 I C -0.670 175.683 176.117 0.393 0.000 1.004 13 I CA -0.486 61.071 61.300 0.427 0.000 1.311 13 I CB 0.759 38.941 38.000 0.303 0.000 1.401 13 I HN 0.489 nan 8.210 nan 0.000 0.491 14 F N 5.777 125.940 119.950 0.355 0.000 2.469 14 F HA 0.701 5.228 4.527 -0.000 0.000 0.332 14 F C -0.028 175.898 175.800 0.211 0.000 1.103 14 F CA -0.536 57.616 58.000 0.252 0.000 0.979 14 F CB 1.854 40.927 39.000 0.122 0.000 1.137 14 F HN 0.068 nan 8.300 nan 0.000 0.463 15 V N 1.931 121.965 119.914 0.200 0.000 3.204 15 V HA 0.863 4.983 4.120 -0.000 0.000 0.298 15 V C -1.799 174.306 176.094 0.017 0.000 1.328 15 V CA -0.703 61.612 62.300 0.024 0.000 1.035 15 V CB 2.167 33.636 31.823 -0.591 0.000 1.095 15 V HN 0.929 nan 8.190 nan 0.000 0.442 16 A N 4.076 126.945 122.820 0.081 0.000 2.330 16 A HA 0.890 5.210 4.320 -0.000 0.000 0.313 16 A C -1.374 176.288 177.584 0.129 0.000 1.124 16 A CA -0.491 51.600 52.037 0.091 0.000 0.774 16 A CB 1.689 20.816 19.000 0.211 0.000 1.198 16 A HN 1.215 nan 8.150 nan 0.000 0.465 17 V N 1.854 121.732 119.914 -0.059 0.000 2.531 17 V HA 0.697 4.817 4.120 -0.000 0.000 0.301 17 V C 0.664 176.705 176.094 -0.088 0.000 1.034 17 V CA -0.421 61.875 62.300 -0.006 0.000 0.865 17 V CB 1.259 33.032 31.823 -0.082 0.000 0.995 17 V HN 1.257 nan 8.190 nan 0.000 0.424 18 A N 2.977 125.817 122.820 0.033 0.000 2.280 18 A HA 0.594 4.914 4.320 -0.000 0.000 0.268 18 A C 0.999 178.625 177.584 0.070 0.000 1.111 18 A CA -0.262 51.797 52.037 0.037 0.000 0.814 18 A CB 0.246 19.434 19.000 0.314 0.000 1.093 18 A HN 0.917 nan 8.150 nan 0.000 0.498 19 L N 0.365 121.625 121.223 0.061 0.000 2.191 19 L HA -0.119 4.221 4.340 -0.000 0.000 0.212 19 L C 1.644 178.552 176.870 0.064 0.000 1.103 19 L CA 2.294 57.154 54.840 0.034 0.000 0.769 19 L CB -0.633 41.423 42.059 -0.006 0.000 0.908 19 L HN 0.840 nan 8.230 nan 0.000 0.438 20 N N -0.653 118.106 118.700 0.099 0.000 2.313 20 N HA -0.070 4.669 4.740 -0.000 0.000 0.207 20 N C 0.356 175.995 175.510 0.216 0.000 1.141 20 N CA 0.295 53.427 53.050 0.137 0.000 0.830 20 N CB -0.163 38.404 38.487 0.132 0.000 1.008 20 N HN 0.393 nan 8.380 nan 0.000 0.481 21 K N -1.829 118.687 120.400 0.193 0.000 3.547 21 K HA -0.135 4.185 4.320 -0.000 0.000 0.309 21 K C -0.591 176.125 176.600 0.194 0.000 1.324 21 K CA 0.726 57.164 56.287 0.252 0.000 0.988 21 K CB -1.928 30.771 32.500 0.332 0.000 1.261 21 K HN 0.085 nan 8.250 nan 0.000 0.444 22 V N 2.180 122.109 119.914 0.025 0.000 2.572 22 V HA 0.035 4.155 4.120 -0.000 0.000 0.291 22 V C 1.639 177.809 176.094 0.127 0.000 1.039 22 V CA 0.958 63.157 62.300 -0.168 0.000 1.055 22 V CB 0.783 32.496 31.823 -0.183 0.000 0.969 22 V HN 0.366 nan 8.190 nan 0.000 0.482 23 I N 1.848 122.460 120.570 0.069 0.000 4.456 23 I HA 0.643 4.813 4.170 -0.000 0.000 0.329 23 I C 0.709 176.793 176.117 -0.055 0.000 1.313 23 I CA 0.185 61.571 61.300 0.143 0.000 1.205 23 I CB 0.821 38.975 38.000 0.256 0.000 1.179 23 I HN 0.602 nan 8.210 nan 0.000 0.419 24 G N 0.287 109.050 108.800 -0.062 0.000 2.704 24 G HA2 0.587 4.547 3.960 -0.000 0.000 0.293 24 G HA3 0.587 4.547 3.960 -0.000 0.000 0.293 24 G C -2.289 172.622 174.900 0.017 0.000 1.421 24 G CA -0.416 44.646 45.100 -0.063 0.000 0.870 24 G HN 0.326 nan 8.290 nan 0.000 0.492 25 H N 0.065 119.066 119.070 -0.114 0.000 3.083 25 H HA 0.386 4.941 4.556 -0.000 0.000 0.339 25 H C 0.110 175.404 175.328 -0.056 0.000 1.020 25 H CA -0.786 55.220 56.048 -0.070 0.000 1.360 25 H CB 1.009 30.726 29.762 -0.076 0.000 1.811 25 H HN 0.640 nan 8.280 nan 0.000 0.493 26 K N 3.552 123.784 120.400 -0.281 0.000 3.077 26 K HA -0.309 4.010 4.320 -0.000 0.000 0.264 26 K C 0.120 176.637 176.600 -0.138 0.000 1.008 26 K CA 0.774 56.908 56.287 -0.254 0.000 0.740 26 K CB -1.286 30.975 32.500 -0.399 0.000 1.273 26 K HN 0.876 nan 8.250 nan 0.000 0.477 27 N N 0.277 118.934 118.700 -0.073 0.000 2.721 27 N HA -0.217 4.523 4.740 -0.000 0.000 0.249 27 N C -0.966 174.497 175.510 -0.078 0.000 1.072 27 N CA 2.003 55.023 53.050 -0.050 0.000 0.710 27 N CB -0.289 38.173 38.487 -0.043 0.000 0.993 27 N HN 0.652 nan 8.380 nan 0.000 0.547 28 Q N -0.822 118.919 119.800 -0.099 0.000 2.605 28 Q HA 0.524 4.864 4.340 -0.000 0.000 0.296 28 Q C -0.179 175.716 176.000 -0.174 0.000 1.056 28 Q CA -1.040 54.690 55.803 -0.123 0.000 0.778 28 Q CB 1.195 29.855 28.738 -0.131 0.000 1.497 28 Q HN 0.046 nan 8.270 nan 0.000 0.443 29 I N 2.459 122.886 120.570 -0.239 0.000 2.648 29 I HA 0.011 4.180 4.170 -0.000 0.000 0.284 29 I C -1.613 174.134 176.117 -0.617 0.000 1.153 29 I CA -1.561 59.430 61.300 -0.514 0.000 1.426 29 I CB 0.216 37.913 38.000 -0.506 0.000 1.381 29 I HN 0.503 nan 8.210 nan 0.000 0.571 30 P HA -0.029 nan 4.420 nan 0.000 0.227 30 P C -0.636 176.403 177.300 -0.436 0.000 1.161 30 P CA 0.720 63.544 63.100 -0.460 0.000 0.788 30 P CB 0.143 31.653 31.700 -0.317 0.000 0.822 31 W N -1.127 119.897 121.300 -0.459 0.000 2.576 31 W HA 0.677 5.337 4.660 -0.000 0.000 0.360 31 W C -2.707 173.621 176.519 -0.319 0.000 1.109 31 W CA -3.170 53.774 57.345 -0.668 0.000 1.237 31 W CB -1.446 27.441 29.460 -0.956 0.000 1.369 31 W HN -0.356 nan 8.180 nan 0.000 0.609 32 P HA -0.110 nan 4.420 nan 0.000 0.267 32 P C -0.116 177.255 177.300 0.118 0.000 1.201 32 P CA 0.203 63.137 63.100 -0.277 0.000 0.775 32 P CB 0.239 31.352 31.700 -0.979 0.000 0.854 33 H N 2.945 122.082 119.070 0.111 0.000 3.070 33 H HA 0.047 4.603 4.556 -0.000 0.000 0.313 33 H C -0.333 175.246 175.328 0.419 0.000 0.997 33 H CA 0.244 56.467 56.048 0.291 0.000 1.438 33 H CB 0.172 30.047 29.762 0.188 0.000 1.455 33 H HN 0.258 nan 8.280 nan 0.000 0.575 34 I N 5.957 126.554 120.570 0.046 0.000 2.388 34 I HA -0.039 4.130 4.170 -0.000 0.000 0.281 34 I C 1.810 177.811 176.117 -0.194 0.000 1.046 34 I CA -0.374 60.892 61.300 -0.057 0.000 1.187 34 I CB 1.412 39.291 38.000 -0.201 0.000 1.351 34 I HN 0.680 nan 8.210 nan 0.000 0.472 35 T N 0.609 115.050 114.554 -0.189 0.000 2.803 35 T HA -0.271 4.079 4.350 -0.000 0.000 0.269 35 T C 1.732 176.542 174.700 0.182 0.000 1.052 35 T CA 1.544 63.645 62.100 0.000 0.000 1.136 35 T CB -0.429 68.525 68.868 0.145 0.000 0.864 35 T HN 0.672 nan 8.240 nan 0.000 0.467 36 H N 0.615 119.707 119.070 0.037 0.000 2.352 36 H HA -0.130 4.426 4.556 -0.000 0.000 0.299 36 H C 2.225 177.638 175.328 0.141 0.000 1.097 36 H CA 1.577 57.675 56.048 0.084 0.000 1.311 36 H CB -0.224 29.594 29.762 0.093 0.000 1.377 36 H HN 0.445 nan 8.280 nan 0.000 0.504 37 D N -0.167 120.245 120.400 0.020 0.000 2.117 37 D HA -0.148 4.492 4.640 -0.000 0.000 0.197 37 D C 1.953 178.208 176.300 -0.074 0.000 0.987 37 D CA 0.992 54.957 54.000 -0.057 0.000 0.829 37 D CB -0.330 40.309 40.800 -0.268 0.000 0.961 37 D HN 0.279 nan 8.370 nan 0.000 0.460 38 F N 0.648 120.649 119.950 0.085 0.000 2.216 38 F HA 0.043 4.569 4.527 -0.000 0.000 0.300 38 F C 2.557 178.388 175.800 0.051 0.000 1.085 38 F CA 0.808 58.858 58.000 0.083 0.000 1.326 38 F CB -0.261 38.802 39.000 0.105 0.000 1.027 38 F HN -0.099 nan 8.300 nan 0.000 0.497 39 R N -0.851 119.782 120.500 0.222 0.000 2.075 39 R HA -0.179 4.161 4.340 -0.000 0.000 0.232 39 R C 2.233 178.559 176.300 0.043 0.000 1.126 39 R CA 1.591 57.770 56.100 0.132 0.000 0.963 39 R CB -0.850 29.551 30.300 0.169 0.000 0.858 39 R HN 0.293 nan 8.270 nan 0.000 0.435 40 F N 1.709 121.556 119.950 -0.172 0.000 2.069 40 F HA -0.257 4.269 4.527 -0.000 0.000 0.298 40 F C 2.077 177.734 175.800 -0.238 0.000 1.113 40 F CA 1.445 59.242 58.000 -0.338 0.000 1.214 40 F CB -0.489 38.060 39.000 -0.751 0.000 0.978 40 F HN -0.059 nan 8.300 nan 0.000 0.474 41 L N 1.120 122.228 121.223 -0.192 0.000 1.989 41 L HA -0.201 4.139 4.340 -0.000 0.000 0.211 41 L C 2.645 179.178 176.870 -0.562 0.000 1.071 41 L CA 2.394 56.967 54.840 -0.445 0.000 0.749 41 L CB -1.045 40.951 42.059 -0.105 0.000 0.890 41 L HN 0.278 nan 8.230 nan 0.000 0.431 42 R N -0.805 119.541 120.500 -0.255 0.000 2.081 42 R HA -0.170 4.170 4.340 -0.000 0.000 0.235 42 R C 2.075 178.211 176.300 -0.273 0.000 1.131 42 R CA 1.727 57.701 56.100 -0.210 0.000 0.960 42 R CB -0.265 30.000 30.300 -0.058 0.000 0.856 42 R HN 0.469 nan 8.270 nan 0.000 0.436 43 N N -0.124 118.423 118.700 -0.256 0.000 2.142 43 N HA -0.092 4.648 4.740 -0.000 0.000 0.186 43 N C 1.688 177.002 175.510 -0.326 0.000 1.023 43 N CA 1.555 54.475 53.050 -0.217 0.000 0.852 43 N CB -0.661 37.733 38.487 -0.155 0.000 0.998 43 N HN 0.424 nan 8.380 nan 0.000 0.424 44 G N -0.019 108.429 108.800 -0.586 0.000 2.408 44 G HA2 -0.209 3.750 3.960 -0.000 0.000 0.217 44 G HA3 -0.209 3.750 3.960 -0.000 0.000 0.217 44 G C 1.497 175.889 174.900 -0.847 0.000 1.150 44 G CA 1.673 46.365 45.100 -0.679 0.000 0.776 44 G HN 0.512 nan 8.290 nan 0.000 0.542 45 T N -2.133 111.775 114.554 -1.077 0.000 3.081 45 T HA 0.052 4.402 4.350 -0.000 0.000 0.250 45 T C 1.985 176.391 174.700 -0.490 0.000 1.100 45 T CA 1.495 62.865 62.100 -1.217 0.000 1.038 45 T CB 0.052 68.241 68.868 -1.131 0.000 0.962 45 T HN 0.302 nan 8.240 nan 0.000 0.516 46 T N -1.832 112.558 114.554 -0.274 0.000 3.054 46 T HA 0.249 4.598 4.350 -0.000 0.000 0.255 46 T C 0.169 174.873 174.700 0.006 0.000 1.035 46 T CA -0.734 61.310 62.100 -0.093 0.000 0.941 46 T CB -0.697 68.122 68.868 -0.080 0.000 1.026 46 T HN 0.419 nan 8.240 nan 0.000 0.533 47 Y N 3.046 123.294 120.300 -0.085 0.000 2.465 47 Y HA 0.513 5.062 4.550 -0.000 0.000 0.331 47 Y C -0.485 175.443 175.900 0.047 0.000 1.102 47 Y CA -1.746 56.343 58.100 -0.017 0.000 1.358 47 Y CB 0.237 38.686 38.460 -0.018 0.000 1.213 47 Y HN 0.128 nan 8.280 nan 0.000 0.525 48 I N 8.898 129.074 120.570 -0.656 0.000 2.436 48 I HA 0.310 4.480 4.170 -0.000 0.000 0.289 48 I C -2.399 173.169 176.117 -0.915 0.000 1.010 48 I CA -2.518 58.414 61.300 -0.614 0.000 1.098 48 I CB 1.378 39.225 38.000 -0.254 0.000 1.266 48 I HN 0.541 nan 8.210 nan 0.000 0.434 49 P HA 0.088 nan 4.420 nan 0.000 0.265 49 P C -1.852 175.350 177.300 -0.164 0.000 1.187 49 P CA -0.712 62.194 63.100 -0.324 0.000 0.766 49 P CB 0.038 31.692 31.700 -0.077 0.000 0.820 50 P HA -0.173 nan 4.420 nan 0.000 0.218 50 P C 1.359 178.648 177.300 -0.018 0.000 1.149 50 P CA 1.755 64.843 63.100 -0.020 0.000 0.817 50 P CB -0.359 31.359 31.700 0.029 0.000 0.785 51 E N 0.438 120.634 120.200 -0.007 0.000 2.077 51 E HA -0.133 4.216 4.350 -0.000 0.000 0.193 51 E C 2.228 178.815 176.600 -0.021 0.000 0.989 51 E CA 1.826 58.222 56.400 -0.007 0.000 0.800 51 E CB -1.703 27.999 29.700 0.004 0.000 0.746 51 E HN 0.090 nan 8.360 nan 0.000 0.452 52 V N 0.193 120.085 119.914 -0.037 0.000 2.358 52 V HA -0.175 3.945 4.120 -0.000 0.000 0.246 52 V C 2.617 178.681 176.094 -0.050 0.000 1.047 52 V CA 1.676 63.947 62.300 -0.047 0.000 1.035 52 V CB -0.390 31.393 31.823 -0.066 0.000 0.658 52 V HN 0.521 nan 8.190 nan 0.000 0.452 53 L N -0.099 121.087 121.223 -0.063 0.000 2.093 53 L HA -0.076 4.263 4.340 -0.000 0.000 0.208 53 L C 2.420 179.272 176.870 -0.031 0.000 1.085 53 L CA 1.917 56.725 54.840 -0.053 0.000 0.755 53 L CB -0.639 41.380 42.059 -0.066 0.000 0.904 53 L HN 0.252 nan 8.230 nan 0.000 0.435 54 S N -0.659 115.027 115.700 -0.023 0.000 2.414 54 S HA -0.103 4.367 4.470 -0.000 0.000 0.227 54 S C 2.180 176.773 174.600 -0.012 0.000 1.022 54 S CA 1.160 59.352 58.200 -0.013 0.000 0.958 54 S CB -0.207 62.989 63.200 -0.007 0.000 0.797 54 S HN 0.628 nan 8.310 nan 0.000 0.493 55 K N 1.622 122.013 120.400 -0.015 0.000 2.057 55 K HA -0.010 4.309 4.320 -0.000 0.000 0.206 55 K C 0.357 176.948 176.600 -0.015 0.000 1.050 55 K CA 1.464 57.742 56.287 -0.014 0.000 0.935 55 K CB -0.718 31.772 32.500 -0.016 0.000 0.715 55 K HN 0.696 nan 8.250 nan 0.000 0.439 56 N N -0.620 118.069 118.700 -0.019 0.000 2.576 56 N HA 0.231 4.971 4.740 -0.000 0.000 0.269 56 N C -2.618 172.883 175.510 -0.016 0.000 1.058 56 N CA -2.160 50.881 53.050 -0.016 0.000 0.860 56 N CB 2.052 40.529 38.487 -0.016 0.000 1.249 56 N HN -0.046 nan 8.380 nan 0.000 0.525 57 P HA -0.049 nan 4.420 nan 0.000 0.223 57 P C -0.240 177.055 177.300 -0.008 0.000 1.151 57 P CA 0.981 64.075 63.100 -0.010 0.000 0.787 57 P CB 0.423 32.119 31.700 -0.006 0.000 0.788 58 D N -0.583 119.816 120.400 -0.003 0.000 2.339 58 D HA 0.095 4.734 4.640 -0.000 0.000 0.217 58 D C 0.966 177.269 176.300 0.006 0.000 1.050 58 D CA -0.186 53.815 54.000 0.003 0.000 0.856 58 D CB -0.105 40.699 40.800 0.006 0.000 0.922 58 D HN 0.251 nan 8.370 nan 0.000 0.518 59 I N 1.173 121.743 120.570 -0.000 0.000 2.692 59 I HA -0.057 4.112 4.170 -0.000 0.000 0.284 59 I C -0.046 176.080 176.117 0.015 0.000 1.159 59 I CA 0.411 61.715 61.300 0.006 0.000 1.423 59 I CB 0.389 38.382 38.000 -0.012 0.000 1.380 59 I HN -0.156 nan 8.210 nan 0.000 0.580 60 Q N 5.270 125.096 119.800 0.043 0.000 2.451 60 Q HA 0.411 4.750 4.340 -0.000 0.000 0.281 60 Q C -1.165 174.899 176.000 0.106 0.000 1.099 60 Q CA -1.039 54.799 55.803 0.057 0.000 0.806 60 Q CB 1.841 30.611 28.738 0.054 0.000 1.419 60 Q HN 0.576 nan 8.270 nan 0.000 0.427 61 N N 0.019 118.792 118.700 0.122 0.000 2.445 61 N HA 0.313 5.053 4.740 -0.000 0.000 0.264 61 N C -0.840 174.755 175.510 0.142 0.000 1.227 61 N CA -0.150 53.017 53.050 0.196 0.000 0.963 61 N CB 0.995 39.687 38.487 0.342 0.000 1.188 61 N HN 0.189 nan 8.380 nan 0.000 0.491 62 V N 1.031 121.017 119.914 0.119 0.000 2.472 62 V HA 0.357 4.476 4.120 -0.000 0.000 0.290 62 V C 0.093 176.220 176.094 0.055 0.000 1.037 62 V CA -0.800 61.501 62.300 0.002 0.000 0.908 62 V CB 1.579 33.295 31.823 -0.178 0.000 0.985 62 V HN 0.464 nan 8.190 nan 0.000 0.454 63 V N 3.832 123.705 119.914 -0.067 0.000 2.495 63 V HA 0.693 4.812 4.120 -0.000 0.000 0.298 63 V C -0.573 175.202 176.094 -0.532 0.000 1.031 63 V CA -0.577 61.603 62.300 -0.200 0.000 0.871 63 V CB 1.560 33.257 31.823 -0.211 0.000 0.988 63 V HN 0.656 nan 8.190 nan 0.000 0.432 64 I N 6.012 126.303 120.570 -0.464 0.000 2.433 64 I HA 0.741 4.911 4.170 -0.000 0.000 0.292 64 I C -0.867 174.994 176.117 -0.427 0.000 1.001 64 I CA -0.309 60.725 61.300 -0.443 0.000 1.119 64 I CB 1.753 39.668 38.000 -0.141 0.000 1.289 64 I HN 0.742 nan 8.210 nan 0.000 0.438 65 F N 2.481 122.474 119.950 0.071 0.000 2.643 65 F HA 0.802 5.329 4.527 -0.000 0.000 0.314 65 F C 0.361 176.183 175.800 0.037 0.000 1.096 65 F CA -1.730 56.303 58.000 0.056 0.000 0.953 65 F CB 0.092 39.153 39.000 0.103 0.000 1.345 65 F HN 0.425 nan 8.300 nan 0.000 0.468 66 G N 0.191 109.144 108.800 0.255 0.000 2.606 66 G HA2 0.283 4.242 3.960 -0.000 0.000 0.252 66 G HA3 0.283 4.242 3.960 -0.000 0.000 0.252 66 G C 0.677 175.645 174.900 0.114 0.000 1.206 66 G CA -0.533 44.645 45.100 0.130 0.000 0.861 66 G HN 1.004 nan 8.290 nan 0.000 0.561 67 R N 0.201 120.720 120.500 0.033 0.000 2.081 67 R HA -0.085 4.255 4.340 -0.000 0.000 0.235 67 R C 2.225 178.543 176.300 0.029 0.000 1.131 67 R CA 1.661 57.776 56.100 0.024 0.000 0.960 67 R CB -0.219 30.064 30.300 -0.028 0.000 0.856 67 R HN 0.587 nan 8.270 nan 0.000 0.436 68 K N -0.662 119.735 120.400 -0.005 0.000 2.057 68 K HA -0.054 4.265 4.320 -0.000 0.000 0.206 68 K C 2.064 178.664 176.600 -0.001 0.000 1.050 68 K CA 1.846 58.130 56.287 -0.005 0.000 0.935 68 K CB -0.098 32.402 32.500 -0.000 0.000 0.715 68 K HN 0.183 nan 8.250 nan 0.000 0.439 69 T N 0.650 115.216 114.554 0.021 0.000 2.720 69 T HA -0.202 4.148 4.350 -0.000 0.000 0.268 69 T C 1.556 176.168 174.700 -0.147 0.000 1.037 69 T CA 1.289 63.379 62.100 -0.016 0.000 1.144 69 T CB -0.393 68.510 68.868 0.059 0.000 0.864 69 T HN 0.235 nan 8.240 nan 0.000 0.444 70 Y N 1.927 122.038 120.300 -0.314 0.000 2.165 70 Y HA -0.151 4.399 4.550 -0.000 0.000 0.286 70 Y C 2.308 178.057 175.900 -0.251 0.000 1.155 70 Y CA 1.465 59.302 58.100 -0.439 0.000 1.164 70 Y CB -0.196 38.059 38.460 -0.341 0.000 0.978 70 Y HN 0.329 nan 8.280 nan 0.000 0.513 71 E N -0.991 119.166 120.200 -0.072 0.000 2.268 71 E HA -0.155 4.195 4.350 -0.000 0.000 0.195 71 E C 2.116 178.625 176.600 -0.152 0.000 0.995 71 E CA 1.100 57.438 56.400 -0.104 0.000 0.836 71 E CB -0.215 29.462 29.700 -0.037 0.000 0.763 71 E HN 0.506 nan 8.360 nan 0.000 0.491 72 S N 0.331 115.942 115.700 -0.149 0.000 2.561 72 S HA 0.012 4.481 4.470 -0.000 0.000 0.225 72 S C 0.806 175.296 174.600 -0.182 0.000 0.977 72 S CA -0.018 58.099 58.200 -0.139 0.000 0.926 72 S CB -0.239 62.906 63.200 -0.092 0.000 0.769 72 S HN 0.047 nan 8.310 nan 0.000 0.533 73 I N 2.503 122.909 120.570 -0.273 0.000 2.385 73 I HA 0.368 4.538 4.170 -0.000 0.000 0.294 73 I C -2.427 173.517 176.117 -0.288 0.000 0.988 73 I CA -2.841 58.282 61.300 -0.296 0.000 1.265 73 I CB 1.082 38.840 38.000 -0.403 0.000 1.388 73 I HN -0.058 nan 8.210 nan 0.000 0.480 74 P HA -0.012 nan 4.420 nan 0.000 0.262 74 P C 0.735 177.906 177.300 -0.215 0.000 1.182 74 P CA 0.228 63.203 63.100 -0.208 0.000 0.761 74 P CB 0.558 32.139 31.700 -0.199 0.000 0.795 75 K N 3.226 123.516 120.400 -0.182 0.000 2.113 75 K HA -0.218 4.102 4.320 -0.000 0.000 0.208 75 K C 2.001 178.523 176.600 -0.130 0.000 1.047 75 K CA 2.297 58.487 56.287 -0.160 0.000 0.928 75 K CB -1.625 30.809 32.500 -0.110 0.000 0.716 75 K HN 0.580 nan 8.250 nan 0.000 0.446 76 A N 0.395 123.145 122.820 -0.117 0.000 2.119 76 A HA 0.066 4.386 4.320 -0.000 0.000 0.217 76 A C 2.307 179.836 177.584 -0.092 0.000 1.153 76 A CA 1.676 53.659 52.037 -0.091 0.000 0.692 76 A CB -0.154 18.795 19.000 -0.084 0.000 0.799 76 A HN 0.448 nan 8.150 nan 0.000 0.458 77 S N -0.767 114.859 115.700 -0.124 0.000 2.575 77 S HA 0.353 4.823 4.470 -0.000 0.000 0.215 77 S C 0.260 174.802 174.600 -0.098 0.000 0.966 77 S CA -0.119 58.014 58.200 -0.113 0.000 0.911 77 S CB -0.158 62.953 63.200 -0.148 0.000 0.780 77 S HN 0.421 nan 8.310 nan 0.000 0.514 78 L N 2.631 123.787 121.223 -0.112 0.000 2.334 78 L HA 0.486 4.826 4.340 -0.000 0.000 0.276 78 L C -2.401 174.485 176.870 0.026 0.000 1.014 78 L CA -2.313 52.480 54.840 -0.079 0.000 0.815 78 L CB 0.994 42.891 42.059 -0.269 0.000 1.268 78 L HN -0.046 nan 8.230 nan 0.000 0.428 79 P HA 0.174 nan 4.420 nan 0.000 0.272 79 P C -0.600 176.770 177.300 0.117 0.000 1.223 79 P CA -0.509 62.702 63.100 0.185 0.000 0.784 79 P CB 0.491 32.307 31.700 0.193 0.000 0.923 80 L N 0.099 121.420 121.223 0.164 0.000 2.601 80 L HA 0.119 4.459 4.340 -0.000 0.000 0.277 80 L C 1.384 178.299 176.870 0.075 0.000 1.219 80 L CA 0.085 54.989 54.840 0.108 0.000 0.915 80 L CB -0.732 41.428 42.059 0.168 0.000 1.160 80 L HN 0.487 nan 8.230 nan 0.000 0.494 81 K N 2.829 123.250 120.400 0.036 0.000 2.295 81 K HA 0.125 4.445 4.320 -0.000 0.000 0.270 81 K C 0.900 177.512 176.600 0.020 0.000 1.011 81 K CA -0.005 56.297 56.287 0.025 0.000 0.953 81 K CB -0.003 32.503 32.500 0.010 0.000 0.956 81 K HN 0.844 nan 8.250 nan 0.000 0.477 82 N N -0.604 118.108 118.700 0.021 0.000 2.828 82 N HA -0.159 4.581 4.740 -0.000 0.000 0.248 82 N C -0.566 174.957 175.510 0.021 0.000 1.044 82 N CA 1.501 54.560 53.050 0.016 0.000 0.851 82 N CB -0.798 37.691 38.487 0.003 0.000 1.136 82 N HN 0.758 nan 8.380 nan 0.000 0.572 83 R N -0.140 120.380 120.500 0.034 0.000 2.795 83 R HA 0.594 4.934 4.340 -0.000 0.000 0.275 83 R C -0.064 176.266 176.300 0.051 0.000 0.981 83 R CA -0.693 55.432 56.100 0.042 0.000 0.917 83 R CB 1.596 31.916 30.300 0.033 0.000 1.202 83 R HN 0.001 nan 8.270 nan 0.000 0.469 84 I N 2.166 122.762 120.570 0.043 0.000 2.436 84 I HA 0.082 4.252 4.170 -0.000 0.000 0.289 84 I C -0.046 176.079 176.117 0.014 0.000 1.083 84 I CA 0.188 61.507 61.300 0.032 0.000 1.372 84 I CB 0.402 38.412 38.000 0.017 0.000 1.408 84 I HN 0.336 nan 8.210 nan 0.000 0.516 85 N N 6.194 124.925 118.700 0.053 0.000 2.426 85 N HA 0.400 5.140 4.740 -0.000 0.000 0.275 85 N C -1.087 174.437 175.510 0.023 0.000 1.019 85 N CA -0.417 52.682 53.050 0.081 0.000 0.941 85 N CB 2.362 41.030 38.487 0.302 0.000 1.123 85 N HN 0.212 nan 8.380 nan 0.000 0.486 86 V N 4.230 124.095 119.914 -0.082 0.000 2.483 86 V HA 0.475 4.595 4.120 -0.000 0.000 0.297 86 V C -0.032 176.076 176.094 0.023 0.000 1.027 86 V CA -0.657 61.633 62.300 -0.016 0.000 0.855 86 V CB 1.651 33.480 31.823 0.011 0.000 0.995 86 V HN 0.520 nan 8.190 nan 0.000 0.424 87 I N 5.377 125.981 120.570 0.056 0.000 2.441 87 I HA 0.485 4.655 4.170 -0.000 0.000 0.295 87 I C -0.552 175.610 176.117 0.076 0.000 0.994 87 I CA -0.569 60.784 61.300 0.089 0.000 1.144 87 I CB 1.800 39.733 38.000 -0.112 0.000 1.314 87 I HN 0.333 nan 8.210 nan 0.000 0.445 88 L N 5.095 126.375 121.223 0.096 0.000 2.289 88 L HA 0.625 4.965 4.340 -0.000 0.000 0.285 88 L C 0.046 176.933 176.870 0.028 0.000 1.049 88 L CA -0.168 54.721 54.840 0.082 0.000 0.804 88 L CB 1.531 43.642 42.059 0.087 0.000 1.195 88 L HN 0.623 nan 8.230 nan 0.000 0.428 89 S N 1.784 117.491 115.700 0.011 0.000 2.543 89 S HA 0.431 4.901 4.470 -0.000 0.000 0.274 89 S C -0.189 174.401 174.600 -0.016 0.000 1.149 89 S CA -0.763 57.423 58.200 -0.023 0.000 0.866 89 S CB 1.564 64.740 63.200 -0.039 0.000 1.111 89 S HN 0.712 nan 8.310 nan 0.000 0.457 90 R N 1.248 121.732 120.500 -0.026 0.000 2.393 90 R HA 0.185 4.525 4.340 -0.000 0.000 0.244 90 R C 1.243 177.528 176.300 -0.024 0.000 0.920 90 R CA 0.769 56.858 56.100 -0.018 0.000 1.076 90 R CB 0.283 30.576 30.300 -0.012 0.000 1.119 90 R HN 0.754 nan 8.270 nan 0.000 0.524 91 T N -4.242 110.292 114.554 -0.033 0.000 2.954 91 T HA 0.216 4.566 4.350 -0.000 0.000 0.252 91 T C 0.504 175.184 174.700 -0.033 0.000 0.983 91 T CA -0.128 61.953 62.100 -0.032 0.000 0.941 91 T CB 0.503 69.350 68.868 -0.035 0.000 1.141 91 T HN -0.162 nan 8.240 nan 0.000 0.500 92 V N 1.776 121.667 119.914 -0.039 0.000 2.459 92 V HA 0.767 4.887 4.120 -0.000 0.000 0.295 92 V C 1.126 177.187 176.094 -0.055 0.000 1.029 92 V CA -0.195 62.079 62.300 -0.044 0.000 0.874 92 V CB 1.293 33.087 31.823 -0.048 0.000 0.985 92 V HN 0.494 nan 8.190 nan 0.000 0.438 93 K N 2.164 122.530 120.400 -0.056 0.000 2.348 93 K HA 0.624 4.944 4.320 -0.000 0.000 0.194 93 K C 0.662 177.210 176.600 -0.086 0.000 1.052 93 K CA 1.095 57.341 56.287 -0.068 0.000 1.004 93 K CB 0.195 32.663 32.500 -0.053 0.000 0.873 93 K HN 0.989 nan 8.250 nan 0.000 0.523 94 E N -0.275 119.880 120.200 -0.076 0.000 2.275 94 E HA 0.626 4.976 4.350 -0.000 0.000 0.270 94 E C -1.352 175.203 176.600 -0.075 0.000 0.882 94 E CA -0.575 55.777 56.400 -0.079 0.000 0.758 94 E CB 1.927 31.592 29.700 -0.058 0.000 1.195 94 E HN 0.348 nan 8.360 nan 0.000 0.419 95 V N 3.337 123.195 119.914 -0.093 0.000 2.569 95 V HA 0.529 4.649 4.120 -0.000 0.000 0.301 95 V C -2.507 173.555 176.094 -0.054 0.000 1.044 95 V CA -1.953 60.296 62.300 -0.084 0.000 0.874 95 V CB 1.912 33.620 31.823 -0.190 0.000 1.002 95 V HN 0.725 nan 8.190 nan 0.000 0.424 96 P HA 0.239 nan 4.420 nan 0.000 0.261 96 P C 0.997 178.314 177.300 0.029 0.000 1.183 96 P CA 1.502 64.608 63.100 0.010 0.000 0.761 96 P CB 0.513 32.228 31.700 0.025 0.000 0.785 97 G N 1.394 110.203 108.800 0.015 0.000 2.176 97 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.253 97 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.253 97 G C 0.170 175.087 174.900 0.028 0.000 0.979 97 G CA -0.037 45.082 45.100 0.032 0.000 0.641 97 G HN 0.663 nan 8.290 nan 0.000 0.530 98 C N 0.204 119.494 119.300 -0.015 0.000 2.848 98 C HA 0.814 5.274 4.460 -0.000 0.000 0.317 98 C C 0.615 175.554 174.990 -0.085 0.000 1.260 98 C CA -1.072 57.919 59.018 -0.045 0.000 1.656 98 C CB 1.478 29.133 27.740 -0.141 0.000 2.174 98 C HN 0.420 nan 8.230 nan 0.000 0.479 99 L N 1.700 122.872 121.223 -0.086 0.000 2.325 99 L HA 0.743 5.083 4.340 -0.000 0.000 0.279 99 L C -0.665 176.065 176.870 -0.233 0.000 1.054 99 L CA -0.384 54.355 54.840 -0.169 0.000 0.804 99 L CB 1.028 43.038 42.059 -0.082 0.000 1.200 99 L HN 0.361 nan 8.230 nan 0.000 0.436 100 V N 2.396 122.065 119.914 -0.409 0.000 2.588 100 V HA 0.487 4.606 4.120 -0.000 0.000 0.304 100 V C -1.011 174.746 176.094 -0.561 0.000 1.042 100 V CA -0.685 61.413 62.300 -0.336 0.000 0.877 100 V CB 1.657 33.351 31.823 -0.215 0.000 0.996 100 V HN 0.461 nan 8.190 nan 0.000 0.425 101 Y N 1.010 121.289 120.300 -0.035 0.000 2.602 101 Y HA 0.451 5.001 4.550 -0.000 0.000 0.342 101 Y C 1.143 177.032 175.900 -0.019 0.000 1.029 101 Y CA -0.899 57.187 58.100 -0.024 0.000 1.080 101 Y CB 2.103 40.551 38.460 -0.020 0.000 1.284 101 Y HN 0.581 nan 8.280 nan 0.000 0.485 102 E N 0.417 120.716 120.200 0.164 0.000 2.400 102 E HA 0.022 4.372 4.350 -0.000 0.000 0.195 102 E C -0.856 175.792 176.600 0.079 0.000 1.012 102 E CA 0.756 57.205 56.400 0.082 0.000 0.875 102 E CB 0.367 30.099 29.700 0.053 0.000 0.859 102 E HN 0.736 nan 8.360 nan 0.000 0.498 103 D N -1.774 118.683 120.400 0.095 0.000 2.639 103 D HA 0.021 4.661 4.640 -0.000 0.000 0.271 103 D C 0.264 176.593 176.300 0.049 0.000 1.254 103 D CA -0.707 53.335 54.000 0.070 0.000 0.810 103 D CB 0.531 41.359 40.800 0.047 0.000 1.351 103 D HN -0.166 nan 8.370 nan 0.000 0.427 104 L N 0.999 122.266 121.223 0.072 0.000 2.027 104 L HA -0.040 4.300 4.340 -0.000 0.000 0.206 104 L C 2.091 178.974 176.870 0.022 0.000 1.074 104 L CA 2.691 57.569 54.840 0.062 0.000 0.745 104 L CB -1.015 41.131 42.059 0.144 0.000 0.898 104 L HN 0.665 nan 8.230 nan 0.000 0.433 105 S N -2.156 113.576 115.700 0.053 0.000 2.359 105 S HA -0.237 4.233 4.470 -0.000 0.000 0.224 105 S C 1.903 176.450 174.600 -0.087 0.000 1.035 105 S CA 1.788 59.982 58.200 -0.011 0.000 1.018 105 S CB -1.468 61.630 63.200 -0.171 0.000 0.876 105 S HN 0.541 nan 8.310 nan 0.000 0.448 106 T N 2.840 117.333 114.554 -0.101 0.000 2.684 106 T HA -0.021 4.328 4.350 -0.000 0.000 0.267 106 T C 2.226 176.729 174.700 -0.328 0.000 1.036 106 T CA 1.640 63.664 62.100 -0.127 0.000 1.148 106 T CB -0.922 67.928 68.868 -0.030 0.000 0.863 106 T HN 0.661 nan 8.240 nan 0.000 0.436 107 A N 1.497 123.997 122.820 -0.532 0.000 1.873 107 A HA -0.021 4.299 4.320 -0.000 0.000 0.215 107 A C 2.241 179.463 177.584 -0.603 0.000 1.186 107 A CA 1.084 52.428 52.037 -1.154 0.000 0.616 107 A CB -0.602 17.915 19.000 -0.805 0.000 0.823 107 A HN 0.384 nan 8.150 nan 0.000 0.442 108 I N -0.115 120.275 120.570 -0.300 0.000 2.226 108 I HA -0.202 3.968 4.170 -0.000 0.000 0.245 108 I C 2.555 178.598 176.117 -0.123 0.000 1.100 108 I CA 1.429 62.630 61.300 -0.164 0.000 1.374 108 I CB -1.440 36.525 38.000 -0.059 0.000 1.057 108 I HN 0.349 nan 8.210 nan 0.000 0.413 109 R N 0.486 120.917 120.500 -0.115 0.000 2.073 109 R HA -0.213 4.127 4.340 -0.000 0.000 0.234 109 R C 2.043 178.304 176.300 -0.065 0.000 1.134 109 R CA 1.897 57.957 56.100 -0.067 0.000 0.952 109 R CB -0.433 29.834 30.300 -0.055 0.000 0.850 109 R HN 0.335 nan 8.270 nan 0.000 0.433 110 D N 0.593 120.920 120.400 -0.122 0.000 2.104 110 D HA -0.142 4.498 4.640 -0.000 0.000 0.194 110 D C 1.915 178.208 176.300 -0.013 0.000 0.994 110 D CA 1.137 55.106 54.000 -0.051 0.000 0.830 110 D CB -0.016 40.775 40.800 -0.015 0.000 0.959 110 D HN 0.066 nan 8.370 nan 0.000 0.452 111 L N -0.131 121.044 121.223 -0.080 0.000 1.989 111 L HA -0.167 4.173 4.340 -0.000 0.000 0.211 111 L C 2.768 179.716 176.870 0.130 0.000 1.071 111 L CA 1.464 56.283 54.840 -0.034 0.000 0.749 111 L CB -0.372 41.556 42.059 -0.218 0.000 0.890 111 L HN 0.031 nan 8.230 nan 0.000 0.431 112 R N -0.522 120.060 120.500 0.137 0.000 2.115 112 R HA -0.086 4.254 4.340 -0.000 0.000 0.230 112 R C 2.290 178.642 176.300 0.086 0.000 1.111 112 R CA 1.137 57.350 56.100 0.187 0.000 0.976 112 R CB -0.352 30.015 30.300 0.112 0.000 0.870 112 R HN 0.381 nan 8.270 nan 0.000 0.445 113 A N 0.886 123.739 122.820 0.055 0.000 1.935 113 A HA -0.020 4.300 4.320 -0.000 0.000 0.214 113 A C 1.439 179.049 177.584 0.044 0.000 1.178 113 A CA 0.940 52.998 52.037 0.036 0.000 0.640 113 A CB 0.136 19.149 19.000 0.022 0.000 0.825 113 A HN 0.213 nan 8.150 nan 0.000 0.447 114 N N -1.376 117.360 118.700 0.061 0.000 2.168 114 N HA 0.154 4.894 4.740 -0.000 0.000 0.216 114 N C -0.712 174.843 175.510 0.075 0.000 1.259 114 N CA 0.341 53.426 53.050 0.059 0.000 0.902 114 N CB 1.594 40.116 38.487 0.058 0.000 1.079 114 N HN 0.122 nan 8.380 nan 0.000 0.507 115 V N 3.729 123.709 119.914 0.111 0.000 2.289 115 V HA 0.340 4.459 4.120 -0.000 0.000 0.272 115 V C -2.394 173.826 176.094 0.210 0.000 1.026 115 V CA -1.655 60.723 62.300 0.130 0.000 0.807 115 V CB 1.437 33.326 31.823 0.110 0.000 1.044 115 V HN -0.127 nan 8.190 nan 0.000 0.443 116 P HA 0.139 nan 4.420 nan 0.000 0.264 116 P C -0.418 176.969 177.300 0.145 0.000 1.183 116 P CA 0.687 63.834 63.100 0.078 0.000 0.763 116 P CB 0.213 31.929 31.700 0.027 0.000 0.807 117 H N 0.402 119.473 119.070 0.002 0.000 2.917 117 H HA 0.262 4.818 4.556 -0.000 0.000 0.299 117 H C -0.317 175.008 175.328 -0.005 0.000 1.418 117 H CA -0.655 55.394 56.048 0.002 0.000 1.138 117 H CB 0.543 30.309 29.762 0.006 0.000 1.830 117 H HN 0.231 nan 8.280 nan 0.000 0.514 118 N N 0.293 119.019 118.700 0.043 0.000 2.426 118 N HA 0.082 4.822 4.740 -0.000 0.000 0.205 118 N C -0.269 175.258 175.510 0.030 0.000 1.040 118 N CA 0.827 53.861 53.050 -0.025 0.000 0.990 118 N CB 0.697 39.190 38.487 0.011 0.000 1.215 118 N HN 0.560 nan 8.380 nan 0.000 0.491 119 K N -0.303 120.179 120.400 0.136 0.000 2.435 119 K HA 0.467 4.787 4.320 -0.000 0.000 0.251 119 K C -1.415 175.138 176.600 -0.079 0.000 0.954 119 K CA -0.621 55.665 56.287 -0.002 0.000 0.820 119 K CB 1.506 33.925 32.500 -0.134 0.000 1.292 119 K HN 0.095 nan 8.250 nan 0.000 0.436 120 I N 3.963 124.389 120.570 -0.239 0.000 2.339 120 I HA 0.318 4.487 4.170 -0.000 0.000 0.290 120 I C -0.905 174.952 176.117 -0.433 0.000 0.994 120 I CA -0.693 60.467 61.300 -0.234 0.000 1.191 120 I CB 0.713 38.635 38.000 -0.130 0.000 1.343 120 I HN 0.414 nan 8.210 nan 0.000 0.458 121 F N 6.050 126.029 119.950 0.048 0.000 2.480 121 F HA 0.504 5.031 4.527 -0.000 0.000 0.329 121 F C 0.122 175.965 175.800 0.071 0.000 1.091 121 F CA -0.828 57.235 58.000 0.105 0.000 0.972 121 F CB 1.554 40.607 39.000 0.088 0.000 1.150 121 F HN 0.138 nan 8.300 nan 0.000 0.467 122 I N 4.686 125.473 120.570 0.361 0.000 2.330 122 I HA 0.234 4.404 4.170 -0.000 0.000 0.289 122 I C 0.013 176.361 176.117 0.386 0.000 1.001 122 I CA -0.174 61.291 61.300 0.275 0.000 1.193 122 I CB 1.322 39.498 38.000 0.294 0.000 1.345 122 I HN 0.654 nan 8.210 nan 0.000 0.461 123 L N 5.721 127.090 121.223 0.244 0.000 3.017 123 L HA 0.417 4.757 4.340 -0.000 0.000 0.255 123 L C 0.875 177.858 176.870 0.189 0.000 1.247 123 L CA -0.271 54.776 54.840 0.345 0.000 1.038 123 L CB 0.022 42.312 42.059 0.385 0.000 1.380 123 L HN 0.897 nan 8.230 nan 0.000 0.548 124 G N -0.048 108.550 108.800 -0.338 0.000 2.728 124 G HA2 -0.091 3.869 3.960 -0.000 0.000 0.294 124 G HA3 -0.091 3.869 3.960 -0.000 0.000 0.294 124 G C 0.059 174.844 174.900 -0.190 0.000 1.342 124 G CA -0.535 44.045 45.100 -0.867 0.000 0.866 124 G HN 0.370 nan 8.290 nan 0.000 0.534 125 G N -1.639 107.113 108.800 -0.080 0.000 2.714 125 G HA2 0.542 4.502 3.960 -0.000 0.000 0.197 125 G HA3 0.542 4.502 3.960 -0.000 0.000 0.197 125 G C 1.536 176.417 174.900 -0.033 0.000 1.449 125 G CA 1.146 46.215 45.100 -0.051 0.000 1.065 125 G HN 1.459 nan 8.290 nan 0.000 0.575 126 S N -0.455 115.392 115.700 0.245 0.000 2.423 126 S HA -0.028 4.442 4.470 -0.000 0.000 0.231 126 S C 2.016 176.693 174.600 0.128 0.000 1.014 126 S CA 0.931 59.286 58.200 0.259 0.000 0.965 126 S CB -0.370 62.950 63.200 0.200 0.000 0.785 126 S HN 0.383 nan 8.310 nan 0.000 0.495 127 F N 1.188 121.181 119.950 0.072 0.000 2.069 127 F HA -0.107 4.420 4.527 -0.000 0.000 0.298 127 F C 2.101 177.925 175.800 0.039 0.000 1.113 127 F CA 0.819 58.851 58.000 0.054 0.000 1.214 127 F CB -0.641 38.388 39.000 0.048 0.000 0.978 127 F HN 0.190 nan 8.300 nan 0.000 0.474 128 L N -1.144 120.188 121.223 0.181 0.000 2.072 128 L HA -0.177 4.163 4.340 -0.000 0.000 0.205 128 L C 2.070 179.001 176.870 0.102 0.000 1.079 128 L CA 1.741 56.631 54.840 0.083 0.000 0.752 128 L CB -1.141 40.915 42.059 -0.005 0.000 0.906 128 L HN 0.083 nan 8.230 nan 0.000 0.436 129 Y N -0.172 120.206 120.300 0.131 0.000 2.224 129 Y HA -0.218 4.332 4.550 -0.000 0.000 0.289 129 Y C 2.622 178.480 175.900 -0.070 0.000 1.146 129 Y CA 1.529 59.666 58.100 0.061 0.000 1.182 129 Y CB -0.795 37.724 38.460 0.098 0.000 0.983 129 Y HN 0.178 nan 8.280 nan 0.000 0.524 130 K N 0.898 121.353 120.400 0.092 0.000 2.057 130 K HA -0.194 4.125 4.320 -0.000 0.000 0.206 130 K C 2.027 178.622 176.600 -0.009 0.000 1.050 130 K CA 1.803 58.078 56.287 -0.020 0.000 0.935 130 K CB -0.277 32.196 32.500 -0.046 0.000 0.715 130 K HN 0.404 nan 8.250 nan 0.000 0.439 131 E N -0.493 119.727 120.200 0.034 0.000 2.072 131 E HA -0.127 4.223 4.350 -0.000 0.000 0.191 131 E C 1.730 178.292 176.600 -0.063 0.000 0.985 131 E CA 1.171 57.576 56.400 0.009 0.000 0.801 131 E CB 0.104 29.847 29.700 0.072 0.000 0.750 131 E HN 0.126 nan 8.360 nan 0.000 0.452 132 V N 1.049 120.957 119.914 -0.010 0.000 2.358 132 V HA -0.237 3.883 4.120 -0.000 0.000 0.246 132 V C 2.335 178.408 176.094 -0.036 0.000 1.047 132 V CA 1.383 63.670 62.300 -0.022 0.000 1.035 132 V CB -0.297 31.578 31.823 0.086 0.000 0.658 132 V HN 0.323 nan 8.190 nan 0.000 0.452 133 L N -0.633 120.570 121.223 -0.033 0.000 2.068 133 L HA -0.106 4.234 4.340 -0.000 0.000 0.204 133 L C 2.343 179.185 176.870 -0.048 0.000 1.076 133 L CA 1.359 56.169 54.840 -0.050 0.000 0.753 133 L CB -0.721 41.250 42.059 -0.146 0.000 0.910 133 L HN 0.268 nan 8.230 nan 0.000 0.439 134 D N 0.276 120.635 120.400 -0.068 0.000 2.158 134 D HA -0.173 4.467 4.640 -0.000 0.000 0.197 134 D C 1.492 177.748 176.300 -0.072 0.000 0.995 134 D CA 1.171 55.137 54.000 -0.058 0.000 0.846 134 D CB -0.157 40.615 40.800 -0.048 0.000 0.941 134 D HN 0.306 nan 8.370 nan 0.000 0.456 135 N N -0.697 117.915 118.700 -0.146 0.000 2.235 135 N HA 0.136 4.875 4.740 -0.000 0.000 0.209 135 N C 0.875 176.289 175.510 -0.160 0.000 1.122 135 N CA 0.566 53.481 53.050 -0.224 0.000 0.845 135 N CB 1.413 39.528 38.487 -0.620 0.000 1.004 135 N HN 0.138 nan 8.380 nan 0.000 0.499 136 G N 1.433 110.192 108.800 -0.068 0.000 2.176 136 G HA2 -0.252 3.707 3.960 -0.000 0.000 0.252 136 G HA3 -0.252 3.707 3.960 -0.000 0.000 0.252 136 G C 0.697 175.598 174.900 0.001 0.000 1.024 136 G CA 0.038 45.136 45.100 -0.003 0.000 0.755 136 G HN 0.363 nan 8.290 nan 0.000 0.507 137 L N -0.932 120.275 121.223 -0.026 0.000 2.558 137 L HA 0.249 4.589 4.340 -0.000 0.000 0.225 137 L C 1.607 178.514 176.870 0.060 0.000 1.128 137 L CA 0.200 55.033 54.840 -0.011 0.000 0.868 137 L CB 0.265 42.282 42.059 -0.071 0.000 1.006 137 L HN 0.473 nan 8.230 nan 0.000 0.454 138 C N 0.201 119.576 119.300 0.126 0.000 2.351 138 C HA 0.351 4.811 4.460 -0.000 0.000 0.326 138 C C 0.971 176.141 174.990 0.299 0.000 1.272 138 C CA -0.545 58.594 59.018 0.201 0.000 1.650 138 C CB 0.774 28.637 27.740 0.204 0.000 2.257 138 C HN 0.297 nan 8.230 nan 0.000 0.505 139 D N 2.147 122.684 120.400 0.229 0.000 2.417 139 D HA 0.179 4.819 4.640 -0.000 0.000 0.207 139 D C 0.015 176.489 176.300 0.289 0.000 1.075 139 D CA 0.700 54.815 54.000 0.190 0.000 0.851 139 D CB 0.342 41.192 40.800 0.083 0.000 0.976 139 D HN 0.638 nan 8.370 nan 0.000 0.505 140 K N 0.625 121.214 120.400 0.315 0.000 2.557 140 K HA 0.474 4.794 4.320 -0.000 0.000 0.257 140 K C -1.839 174.852 176.600 0.152 0.000 0.933 140 K CA -0.473 55.947 56.287 0.220 0.000 0.820 140 K CB 1.781 34.364 32.500 0.139 0.000 1.330 140 K HN -0.213 nan 8.250 nan 0.000 0.432 141 I N 4.067 124.660 120.570 0.038 0.000 2.478 141 I HA 0.289 4.458 4.170 -0.000 0.000 0.287 141 I C -1.253 174.786 176.117 -0.130 0.000 1.042 141 I CA -0.902 60.387 61.300 -0.018 0.000 1.067 141 I CB 1.414 39.346 38.000 -0.113 0.000 1.233 141 I HN 0.533 nan 8.210 nan 0.000 0.431 142 Y N 6.660 126.813 120.300 -0.246 0.000 2.367 142 Y HA 0.573 5.123 4.550 -0.000 0.000 0.342 142 Y C -0.253 175.580 175.900 -0.112 0.000 0.979 142 Y CA -0.422 57.492 58.100 -0.309 0.000 1.161 142 Y CB 1.331 39.089 38.460 -1.170 0.000 1.155 142 Y HN 0.416 nan 8.280 nan 0.000 0.503 143 L N 3.131 124.460 121.223 0.176 0.000 2.410 143 L HA 0.605 4.944 4.340 -0.000 0.000 0.270 143 L C -0.705 176.242 176.870 0.128 0.000 0.983 143 L CA -0.351 54.540 54.840 0.085 0.000 0.822 143 L CB 1.761 43.837 42.059 0.029 0.000 1.285 143 L HN 0.474 nan 8.230 nan 0.000 0.409 144 T N 4.486 119.095 114.554 0.092 0.000 2.733 144 T HA 0.413 4.763 4.350 -0.000 0.000 0.294 144 T C -0.155 174.500 174.700 -0.076 0.000 0.956 144 T CA -0.404 61.712 62.100 0.026 0.000 0.987 144 T CB 0.369 69.260 68.868 0.038 0.000 0.920 144 T HN 0.480 nan 8.240 nan 0.000 0.470 145 R N 2.911 123.365 120.500 -0.077 0.000 2.202 145 R HA 0.399 4.739 4.340 -0.000 0.000 0.334 145 R C -0.934 175.304 176.300 -0.105 0.000 1.036 145 R CA -0.836 55.222 56.100 -0.070 0.000 0.878 145 R CB 0.518 30.808 30.300 -0.015 0.000 1.067 145 R HN 0.317 nan 8.270 nan 0.000 0.457 146 L N 2.847 123.968 121.223 -0.169 0.000 2.295 146 L HA 0.226 4.566 4.340 -0.000 0.000 0.285 146 L C 0.800 177.636 176.870 -0.057 0.000 1.035 146 L CA -0.155 54.586 54.840 -0.166 0.000 0.806 146 L CB 1.292 43.111 42.059 -0.399 0.000 1.214 146 L HN 0.435 nan 8.230 nan 0.000 0.426 147 N N 2.210 120.903 118.700 -0.011 0.000 2.413 147 N HA 0.077 4.817 4.740 -0.000 0.000 0.207 147 N C -0.352 175.152 175.510 -0.010 0.000 1.206 147 N CA 0.250 53.295 53.050 -0.009 0.000 0.832 147 N CB -0.033 38.460 38.487 0.010 0.000 1.037 147 N HN 0.490 nan 8.380 nan 0.000 0.467 148 K N -0.046 120.360 120.400 0.010 0.000 2.508 148 K HA 0.275 4.595 4.320 -0.000 0.000 0.260 148 K C -1.013 175.568 176.600 -0.032 0.000 0.949 148 K CA -0.604 55.659 56.287 -0.041 0.000 0.834 148 K CB 1.813 34.276 32.500 -0.062 0.000 1.365 148 K HN -0.048 nan 8.250 nan 0.000 0.437 149 E N 1.727 121.860 120.200 -0.113 0.000 2.301 149 E HA 0.200 4.550 4.350 -0.000 0.000 0.275 149 E C -1.227 175.253 176.600 -0.201 0.000 1.030 149 E CA -0.384 55.986 56.400 -0.049 0.000 0.852 149 E CB 0.936 30.612 29.700 -0.039 0.000 1.060 149 E HN 0.324 nan 8.360 nan 0.000 0.401 150 Y N 0.912 121.252 120.300 0.067 0.000 2.499 150 Y HA 0.280 4.830 4.550 -0.000 0.000 0.347 150 Y C -2.160 173.712 175.900 -0.048 0.000 0.987 150 Y CA -2.585 55.550 58.100 0.058 0.000 1.044 150 Y CB 1.625 40.204 38.460 0.198 0.000 1.245 150 Y HN 0.408 nan 8.280 nan 0.000 0.461 151 P HA 0.305 nan 4.420 nan 0.000 0.268 151 P C -0.281 176.804 177.300 -0.359 0.000 1.205 151 P CA 0.155 63.130 63.100 -0.207 0.000 0.771 151 P CB 0.720 32.215 31.700 -0.342 0.000 0.858 152 G N 1.358 110.003 108.800 -0.258 0.000 2.576 152 G HA2 0.460 4.420 3.960 -0.000 0.000 0.290 152 G HA3 0.460 4.420 3.960 -0.000 0.000 0.290 152 G C -1.136 173.759 174.900 -0.009 0.000 1.442 152 G CA -0.677 44.331 45.100 -0.154 0.000 0.792 152 G HN 0.448 nan 8.290 nan 0.000 0.491 153 D N -2.020 118.422 120.400 0.071 0.000 2.525 153 D HA 0.237 4.877 4.640 -0.000 0.000 0.231 153 D C 0.379 176.809 176.300 0.218 0.000 1.216 153 D CA 0.118 54.235 54.000 0.194 0.000 0.813 153 D CB 0.993 41.914 40.800 0.202 0.000 1.108 153 D HN 0.378 nan 8.370 nan 0.000 0.524 154 T N 0.119 114.710 114.554 0.062 0.000 2.879 154 T HA 0.479 4.829 4.350 -0.000 0.000 0.290 154 T C -1.490 173.241 174.700 0.052 0.000 0.993 154 T CA -0.448 61.747 62.100 0.158 0.000 0.975 154 T CB 1.259 70.212 68.868 0.141 0.000 0.981 154 T HN -0.068 nan 8.240 nan 0.000 0.439 155 Y N 1.074 121.462 120.300 0.146 0.000 2.462 155 Y HA 0.611 5.161 4.550 -0.000 0.000 0.346 155 Y C -0.351 175.676 175.900 0.213 0.000 0.976 155 Y CA -1.671 56.528 58.100 0.165 0.000 1.044 155 Y CB 1.299 39.818 38.460 0.098 0.000 1.230 155 Y HN 0.651 nan 8.280 nan 0.000 0.455 156 F N 5.362 125.438 119.950 0.210 0.000 2.427 156 F HA 0.481 5.008 4.527 -0.000 0.000 0.352 156 F C -2.185 173.656 175.800 0.070 0.000 1.100 156 F CA -2.847 55.210 58.000 0.096 0.000 1.191 156 F CB 0.596 39.581 39.000 -0.025 0.000 1.128 156 F HN 0.298 nan 8.300 nan 0.000 0.533 157 P HA 0.045 nan 4.420 nan 0.000 0.270 157 P C -1.095 175.980 177.300 -0.376 0.000 1.223 157 P CA -0.189 62.678 63.100 -0.388 0.000 0.785 157 P CB 0.471 31.912 31.700 -0.432 0.000 0.923 158 D N 0.750 121.038 120.400 -0.187 0.000 2.488 158 D HA 0.054 4.693 4.640 -0.000 0.000 0.238 158 D C 0.351 176.535 176.300 -0.194 0.000 1.138 158 D CA 0.495 54.421 54.000 -0.123 0.000 0.873 158 D CB 0.016 40.778 40.800 -0.063 0.000 1.183 158 D HN 0.196 nan 8.370 nan 0.000 0.458 159 I N 4.217 124.684 120.570 -0.172 0.000 2.416 159 I HA 0.134 4.303 4.170 -0.000 0.000 0.288 159 I C -1.682 174.396 176.117 -0.065 0.000 1.051 159 I CA -1.696 59.457 61.300 -0.244 0.000 1.375 159 I CB 0.621 38.354 38.000 -0.446 0.000 1.407 159 I HN 0.140 nan 8.210 nan 0.000 0.516 160 P HA 0.019 nan 4.420 nan 0.000 0.269 160 P C -0.055 177.362 177.300 0.195 0.000 1.209 160 P CA -0.241 62.934 63.100 0.125 0.000 0.776 160 P CB 0.417 32.219 31.700 0.171 0.000 0.876 161 D N -0.331 120.143 120.400 0.124 0.000 2.390 161 D HA -0.118 4.521 4.640 -0.000 0.000 0.235 161 D C 0.900 177.261 176.300 0.103 0.000 1.040 161 D CA 0.759 54.830 54.000 0.119 0.000 0.923 161 D CB -1.015 39.829 40.800 0.073 0.000 0.886 161 D HN 0.396 nan 8.370 nan 0.000 0.532 162 T N -3.557 111.055 114.554 0.095 0.000 3.113 162 T HA 0.109 4.459 4.350 -0.000 0.000 0.256 162 T C 0.418 175.034 174.700 -0.139 0.000 1.131 162 T CA -0.230 61.849 62.100 -0.035 0.000 1.074 162 T CB -0.489 68.313 68.868 -0.110 0.000 0.944 162 T HN -0.013 nan 8.240 nan 0.000 0.516 163 F N 2.291 122.281 119.950 0.066 0.000 2.432 163 F HA 0.574 5.100 4.527 -0.000 0.000 0.329 163 F C 0.516 176.418 175.800 0.171 0.000 1.076 163 F CA -1.173 56.902 58.000 0.125 0.000 1.018 163 F CB 1.392 40.485 39.000 0.154 0.000 1.201 163 F HN 0.224 nan 8.300 nan 0.000 0.489 164 E N 1.306 121.712 120.200 0.344 0.000 2.383 164 E HA 0.510 4.859 4.350 -0.000 0.000 0.275 164 E C -1.480 175.153 176.600 0.054 0.000 0.918 164 E CA -0.862 55.648 56.400 0.184 0.000 0.764 164 E CB 2.130 31.870 29.700 0.067 0.000 1.252 164 E HN 0.480 nan 8.360 nan 0.000 0.449 165 I N 2.332 122.798 120.570 -0.173 0.000 2.471 165 I HA 0.054 4.223 4.170 -0.000 0.000 0.286 165 I C 0.922 176.947 176.117 -0.153 0.000 1.079 165 I CA 0.177 61.264 61.300 -0.356 0.000 1.398 165 I CB 0.978 38.704 38.000 -0.457 0.000 1.403 165 I HN 0.818 nan 8.210 nan 0.000 0.530 166 T N 1.611 116.088 114.554 -0.129 0.000 3.004 166 T HA 0.553 4.903 4.350 -0.000 0.000 0.266 166 T C 0.162 174.815 174.700 -0.078 0.000 0.986 166 T CA -0.178 61.873 62.100 -0.081 0.000 0.902 166 T CB 0.538 69.374 68.868 -0.053 0.000 1.118 166 T HN 0.615 nan 8.240 nan 0.000 0.522 167 A N 0.911 123.685 122.820 -0.077 0.000 2.547 167 A HA 0.788 5.108 4.320 -0.000 0.000 0.297 167 A C -1.648 175.941 177.584 0.010 0.000 1.056 167 A CA -0.893 51.128 52.037 -0.027 0.000 0.688 167 A CB 1.203 20.200 19.000 -0.004 0.000 1.282 167 A HN 0.423 nan 8.150 nan 0.000 0.400 168 I N 1.968 122.584 120.570 0.077 0.000 2.586 168 I HA 0.299 4.469 4.170 -0.000 0.000 0.288 168 I C 0.601 176.803 176.117 0.141 0.000 1.147 168 I CA -0.497 60.874 61.300 0.119 0.000 1.047 168 I CB 2.322 40.437 38.000 0.192 0.000 1.244 168 I HN 0.792 nan 8.210 nan 0.000 0.429 169 S N 5.898 121.679 115.700 0.136 0.000 2.596 169 S HA 0.464 4.934 4.470 -0.000 0.000 0.260 169 S C -2.504 172.076 174.600 -0.033 0.000 1.336 169 S CA -0.838 57.453 58.200 0.150 0.000 0.993 169 S CB 0.295 63.701 63.200 0.343 0.000 0.923 169 S HN 0.285 nan 8.310 nan 0.000 0.567 170 P HA 0.180 nan 4.420 nan 0.000 0.269 170 P C -0.464 176.377 177.300 -0.766 0.000 1.217 170 P CA -0.175 62.655 63.100 -0.450 0.000 0.783 170 P CB 0.004 31.402 31.700 -0.504 0.000 0.898 171 T N 2.148 116.217 114.554 -0.810 0.000 2.869 171 T HA 0.399 4.748 4.350 -0.000 0.000 0.295 171 T C -0.111 174.040 174.700 -0.915 0.000 0.987 171 T CA 0.357 62.016 62.100 -0.734 0.000 1.109 171 T CB -0.313 68.259 68.868 -0.493 0.000 0.932 171 T HN 0.116 nan 8.240 nan 0.000 0.518 172 F N 0.869 120.447 119.950 -0.619 0.000 2.618 172 F HA 0.718 5.245 4.527 -0.000 0.000 0.332 172 F C 0.589 176.003 175.800 -0.643 0.000 1.061 172 F CA -0.862 56.750 58.000 -0.647 0.000 0.974 172 F CB 1.948 40.443 39.000 -0.842 0.000 1.310 172 F HN 0.616 nan 8.300 nan 0.000 0.491 173 S N -0.975 114.667 115.700 -0.097 0.000 2.537 173 S HA 0.702 5.172 4.470 -0.000 0.000 0.271 173 S C -0.815 173.827 174.600 0.069 0.000 1.148 173 S CA -0.670 57.535 58.200 0.008 0.000 0.868 173 S CB 1.405 64.591 63.200 -0.024 0.000 1.115 173 S HN 0.838 nan 8.310 nan 0.000 0.461 174 T N -1.383 113.131 114.554 -0.067 0.000 2.889 174 T HA 0.499 4.849 4.350 -0.000 0.000 0.278 174 T C 0.544 175.110 174.700 -0.222 0.000 0.995 174 T CA -0.154 61.794 62.100 -0.253 0.000 0.966 174 T CB 0.686 69.057 68.868 -0.828 0.000 1.237 174 T HN 0.520 nan 8.240 nan 0.000 0.591 175 D N -0.647 119.666 120.400 -0.145 0.000 2.311 175 D HA -0.052 4.588 4.640 -0.000 0.000 0.212 175 D C 1.059 177.407 176.300 0.081 0.000 0.972 175 D CA 1.162 55.175 54.000 0.021 0.000 0.887 175 D CB -0.263 40.634 40.800 0.162 0.000 0.915 175 D HN 0.622 nan 8.370 nan 0.000 0.497 176 F N -2.358 117.660 119.950 0.113 0.000 2.784 176 F HA 0.422 4.949 4.527 -0.000 0.000 0.323 176 F C 0.023 175.903 175.800 0.134 0.000 1.085 176 F CA -0.685 57.388 58.000 0.123 0.000 1.196 176 F CB 0.471 39.567 39.000 0.161 0.000 1.053 176 F HN -0.177 nan 8.300 nan 0.000 0.578 177 V N 0.164 120.026 119.914 -0.086 0.000 3.077 177 V HA 0.583 4.703 4.120 -0.000 0.000 0.299 177 V C -1.056 175.054 176.094 0.027 0.000 1.276 177 V CA -0.702 61.630 62.300 0.054 0.000 0.993 177 V CB 2.351 34.284 31.823 0.184 0.000 1.076 177 V HN 0.196 nan 8.190 nan 0.000 0.434 178 S N 4.762 120.498 115.700 0.060 0.000 2.578 178 S HA 0.891 5.361 4.470 -0.000 0.000 0.283 178 S C -1.149 173.501 174.600 0.083 0.000 1.195 178 S CA -0.315 57.910 58.200 0.041 0.000 1.050 178 S CB 1.273 64.487 63.200 0.024 0.000 1.012 178 S HN 1.052 nan 8.310 nan 0.000 0.511 179 Y N -0.711 119.503 120.300 -0.144 0.000 2.656 179 Y HA 0.761 5.311 4.550 -0.000 0.000 0.334 179 Y C -1.445 174.280 175.900 -0.292 0.000 1.179 179 Y CA -1.337 56.624 58.100 -0.231 0.000 1.050 179 Y CB 0.849 39.121 38.460 -0.313 0.000 1.308 179 Y HN 0.649 nan 8.280 nan 0.000 0.456 180 D N 0.190 120.414 120.400 -0.293 0.000 2.677 180 D HA 0.511 5.151 4.640 -0.000 0.000 0.298 180 D C -1.849 174.141 176.300 -0.516 0.000 1.250 180 D CA -0.661 53.044 54.000 -0.491 0.000 0.888 180 D CB 1.325 41.936 40.800 -0.316 0.000 1.397 180 D HN 0.346 nan 8.370 nan 0.000 0.461 181 F N -0.151 119.725 119.950 -0.125 0.000 2.458 181 F HA 0.607 5.134 4.527 -0.000 0.000 0.336 181 F C 0.396 176.142 175.800 -0.090 0.000 1.114 181 F CA -0.987 56.858 58.000 -0.258 0.000 0.987 181 F CB 2.033 40.672 39.000 -0.602 0.000 1.130 181 F HN 0.411 nan 8.300 nan 0.000 0.458 182 V N 0.778 120.768 119.914 0.127 0.000 3.102 182 V HA 0.734 4.853 4.120 -0.000 0.000 0.312 182 V C -0.893 175.221 176.094 0.032 0.000 1.135 182 V CA -1.059 61.268 62.300 0.045 0.000 1.022 182 V CB 2.433 34.215 31.823 -0.070 0.000 1.056 182 V HN 0.643 nan 8.190 nan 0.000 0.436 183 I N 1.972 122.489 120.570 -0.088 0.000 2.436 183 I HA 0.536 4.706 4.170 -0.000 0.000 0.289 183 I C -1.353 174.678 176.117 -0.143 0.000 1.010 183 I CA -0.480 60.714 61.300 -0.176 0.000 1.098 183 I CB 1.991 39.826 38.000 -0.276 0.000 1.266 183 I HN 0.645 nan 8.210 nan 0.000 0.434 184 Y N 4.144 124.389 120.300 -0.091 0.000 2.420 184 Y HA 0.551 5.101 4.550 -0.000 0.000 0.334 184 Y C 0.094 176.082 175.900 0.146 0.000 1.094 184 Y CA -0.510 57.621 58.100 0.052 0.000 1.126 184 Y CB 1.606 40.101 38.460 0.058 0.000 1.217 184 Y HN 0.484 nan 8.280 nan 0.000 0.462 185 E N 1.122 121.542 120.200 0.366 0.000 2.429 185 E HA 0.453 4.803 4.350 -0.000 0.000 0.276 185 E C -1.151 175.476 176.600 0.046 0.000 0.953 185 E CA -1.374 55.172 56.400 0.244 0.000 0.787 185 E CB 1.935 31.679 29.700 0.074 0.000 1.307 185 E HN 0.454 nan 8.360 nan 0.000 0.458 186 R N 1.398 121.747 120.500 -0.251 0.000 2.489 186 R HA 0.054 4.394 4.340 -0.000 0.000 0.287 186 R C 0.924 177.112 176.300 -0.186 0.000 1.053 186 R CA 0.246 56.088 56.100 -0.429 0.000 1.036 186 R CB 0.463 30.508 30.300 -0.425 0.000 0.966 186 R HN 0.441 nan 8.270 nan 0.000 0.432 187 K N 1.583 121.891 120.400 -0.154 0.000 2.009 187 K HA -0.190 4.130 4.320 -0.000 0.000 0.210 187 K C 0.495 177.050 176.600 -0.074 0.000 1.049 187 K CA 2.035 58.275 56.287 -0.077 0.000 0.929 187 K CB -0.225 32.243 32.500 -0.052 0.000 0.714 187 K HN 0.721 nan 8.250 nan 0.000 0.440 197 P HA 0.106 nan 4.420 nan 0.000 0.267 197 P C 0.693 178.050 177.300 0.094 0.000 1.200 197 P CA -0.424 62.718 63.100 0.070 0.000 0.772 197 P CB 0.506 32.235 31.700 0.048 0.000 0.855 198 F N 2.026 121.973 119.950 -0.004 0.000 2.120 198 F HA -0.246 4.280 4.527 -0.000 0.000 0.300 198 F C 1.674 177.471 175.800 -0.005 0.000 1.095 198 F CA 1.875 59.872 58.000 -0.005 0.000 1.249 198 F CB -0.283 38.714 39.000 -0.004 0.000 0.995 198 F HN 0.283 nan 8.300 nan 0.000 0.480 199 D N -0.001 120.384 120.400 -0.025 0.000 2.158 199 D HA -0.224 4.415 4.640 -0.000 0.000 0.197 199 D C 2.236 178.433 176.300 -0.172 0.000 0.995 199 D CA 1.384 55.314 54.000 -0.117 0.000 0.846 199 D CB -0.461 40.333 40.800 -0.011 0.000 0.941 199 D HN 0.494 nan 8.370 nan 0.000 0.456 200 Q N -0.302 119.426 119.800 -0.121 0.000 2.124 200 Q HA -0.084 4.256 4.340 -0.000 0.000 0.202 200 Q C 2.443 178.346 176.000 -0.162 0.000 0.977 200 Q CA 0.743 56.480 55.803 -0.108 0.000 0.850 200 Q CB -0.001 28.701 28.738 -0.060 0.000 0.901 200 Q HN 0.353 nan 8.270 nan 0.000 0.429 201 L N -0.305 120.770 121.223 -0.246 0.000 2.072 201 L HA -0.156 4.184 4.340 -0.000 0.000 0.205 201 L C 2.306 178.958 176.870 -0.364 0.000 1.079 201 L CA 0.403 55.075 54.840 -0.281 0.000 0.752 201 L CB -0.389 41.493 42.059 -0.294 0.000 0.906 201 L HN 0.237 nan 8.230 nan 0.000 0.436 202 L N -0.358 120.514 121.223 -0.584 0.000 2.056 202 L HA -0.127 4.213 4.340 -0.000 0.000 0.207 202 L C 2.212 178.947 176.870 -0.224 0.000 1.078 202 L CA 1.694 56.255 54.840 -0.465 0.000 0.749 202 L CB -0.279 41.450 42.059 -0.551 0.000 0.901 202 L HN 0.199 nan 8.230 nan 0.000 0.433 203 M N -0.850 118.639 119.600 -0.185 0.000 2.628 203 M HA 0.057 4.536 4.480 -0.000 0.000 0.232 203 M C 1.897 178.143 176.300 -0.091 0.000 1.128 203 M CA 0.940 56.174 55.300 -0.110 0.000 1.040 203 M CB -1.689 30.859 32.600 -0.087 0.000 1.608 203 M HN 0.475 nan 8.290 nan 0.000 0.507 204 T N -2.878 111.615 114.554 -0.103 0.000 2.951 204 T HA 0.114 4.464 4.350 -0.000 0.000 0.268 204 T C 1.692 176.351 174.700 -0.069 0.000 1.073 204 T CA 1.190 63.241 62.100 -0.081 0.000 1.134 204 T CB -0.299 68.520 68.868 -0.083 0.000 0.884 204 T HN 0.555 nan 8.240 nan 0.000 0.479 205 G N 1.383 110.139 108.800 -0.074 0.000 2.168 205 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.263 205 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.263 205 G C 0.332 175.203 174.900 -0.048 0.000 0.977 205 G CA 0.931 45.997 45.100 -0.055 0.000 0.659 205 G HN 1.218 nan 8.290 nan 0.000 0.533 206 T N -2.853 111.668 114.554 -0.054 0.000 2.883 206 T HA 0.597 4.947 4.350 -0.000 0.000 0.284 206 T C -0.299 174.377 174.700 -0.040 0.000 1.041 206 T CA -0.024 62.050 62.100 -0.042 0.000 1.007 206 T CB 2.060 70.902 68.868 -0.043 0.000 1.220 206 T HN 0.071 nan 8.240 nan 0.000 0.552 207 D N 0.559 120.943 120.400 -0.026 0.000 2.586 207 D HA -0.048 4.591 4.640 -0.000 0.000 0.234 207 D C 1.563 177.852 176.300 -0.019 0.000 1.132 207 D CA 0.019 54.011 54.000 -0.014 0.000 0.860 207 D CB 0.381 41.178 40.800 -0.004 0.000 1.159 207 D HN 0.633 nan 8.370 nan 0.000 0.490 208 I N 0.401 120.968 120.570 -0.006 0.000 2.546 208 I HA -0.017 4.152 4.170 -0.000 0.000 0.255 208 I C 1.169 177.300 176.117 0.024 0.000 1.163 208 I CA 0.477 61.774 61.300 -0.005 0.000 1.457 208 I CB -0.356 37.675 38.000 0.051 0.000 1.092 208 I HN 0.195 nan 8.210 nan 0.000 0.434 209 S N 2.169 117.886 115.700 0.029 0.000 2.404 209 S HA 0.755 5.224 4.470 -0.000 0.000 0.309 209 S C -0.181 174.429 174.600 0.015 0.000 1.076 209 S CA -0.193 58.024 58.200 0.028 0.000 1.095 209 S CB 0.341 63.559 63.200 0.031 0.000 0.972 209 S HN 0.421 nan 8.310 nan 0.000 0.484 210 V N 3.432 123.353 119.914 0.012 0.000 2.349 210 V HA 0.679 4.799 4.120 -0.000 0.000 0.284 210 V C -2.373 173.732 176.094 0.018 0.000 1.014 210 V CA -2.070 60.236 62.300 0.010 0.000 0.826 210 V CB 0.665 32.489 31.823 0.000 0.000 1.009 210 V HN 0.629 nan 8.190 nan 0.000 0.431 211 P HA 0.419 nan 4.420 nan 0.000 0.262 211 P C 0.355 177.675 177.300 0.032 0.000 1.182 211 P CA 0.419 63.532 63.100 0.022 0.000 0.761 211 P CB 0.281 31.995 31.700 0.023 0.000 0.795 212 K N 4.539 124.948 120.400 0.015 0.000 2.469 212 K HA 0.185 4.504 4.320 -0.000 0.000 0.274 212 K C -1.844 174.766 176.600 0.018 0.000 0.983 212 K CA -1.114 55.181 56.287 0.015 0.000 0.974 212 K CB -1.692 30.802 32.500 -0.011 0.000 0.913 212 K HN 0.507 nan 8.250 nan 0.000 0.493 213 P HA 0.004 nan 4.420 nan 0.000 0.265 213 P C 0.088 177.331 177.300 -0.095 0.000 1.187 213 P CA -0.038 63.048 63.100 -0.024 0.000 0.766 213 P CB 0.816 32.510 31.700 -0.010 0.000 0.820 214 K N 1.715 122.026 120.400 -0.149 0.000 2.148 214 K HA -0.105 4.215 4.320 -0.000 0.000 0.204 214 K C -0.156 176.166 176.600 -0.463 0.000 1.050 214 K CA 1.101 57.222 56.287 -0.276 0.000 0.942 214 K CB -0.060 32.266 32.500 -0.290 0.000 0.724 214 K HN 0.432 nan 8.250 nan 0.000 0.446 215 Y N -0.373 119.837 120.300 -0.150 0.000 2.409 215 Y HA 0.443 4.992 4.550 -0.000 0.000 0.343 215 Y C -0.935 174.900 175.900 -0.109 0.000 0.973 215 Y CA -1.084 56.939 58.100 -0.128 0.000 1.064 215 Y CB 2.356 40.724 38.460 -0.153 0.000 1.207 215 Y HN -0.368 nan 8.280 nan 0.000 0.452 216 V N 2.661 122.608 119.914 0.056 0.000 2.612 216 V HA 0.644 4.764 4.120 -0.000 0.000 0.301 216 V C -0.373 175.732 176.094 0.019 0.000 1.059 216 V CA -1.233 61.075 62.300 0.014 0.000 0.886 216 V CB 1.648 33.459 31.823 -0.020 0.000 1.007 216 V HN 0.912 nan 8.190 nan 0.000 0.426 217 A N 2.552 125.383 122.820 0.019 0.000 2.450 217 A HA 0.412 4.731 4.320 -0.000 0.000 0.255 217 A C 0.819 178.434 177.584 0.052 0.000 1.096 217 A CA 0.225 52.286 52.037 0.039 0.000 0.778 217 A CB -0.378 18.664 19.000 0.070 0.000 1.031 217 A HN 1.598 nan 8.150 nan 0.000 0.494 218 C N 3.112 122.444 119.300 0.053 0.000 3.349 218 C HA -0.099 4.361 4.460 -0.000 0.000 0.275 218 C C -0.481 174.507 174.990 -0.003 0.000 1.322 218 C CA 0.105 59.157 59.018 0.057 0.000 2.261 218 C CB -2.044 25.823 27.740 0.212 0.000 1.446 218 C HN 0.853 nan 8.230 nan 0.000 0.533 219 P HA -0.033 nan 4.420 nan 0.000 0.226 219 P C 1.518 178.786 177.300 -0.053 0.000 1.153 219 P CA 2.098 65.171 63.100 -0.044 0.000 0.777 219 P CB 0.025 31.703 31.700 -0.037 0.000 0.794 220 G N 0.108 108.883 108.800 -0.042 0.000 2.572 220 G HA2 -0.010 3.950 3.960 -0.000 0.000 0.216 220 G HA3 -0.010 3.950 3.960 -0.000 0.000 0.216 220 G C 0.526 175.388 174.900 -0.063 0.000 1.133 220 G CA 0.052 45.126 45.100 -0.043 0.000 0.791 220 G HN 0.193 nan 8.290 nan 0.000 0.538 221 V N 0.962 120.826 119.914 -0.084 0.000 2.389 221 V HA 0.511 4.631 4.120 -0.000 0.000 0.264 221 V C 1.448 177.429 176.094 -0.188 0.000 1.049 221 V CA 0.317 62.540 62.300 -0.128 0.000 0.932 221 V CB 0.506 32.258 31.823 -0.118 0.000 1.011 221 V HN 0.409 nan 8.190 nan 0.000 0.475 222 R N 4.624 125.041 120.500 -0.139 0.000 2.146 222 R HA 0.387 4.727 4.340 -0.000 0.000 0.206 222 R C 0.753 176.972 176.300 -0.135 0.000 1.049 222 R CA 0.709 56.734 56.100 -0.124 0.000 1.029 222 R CB -0.133 30.123 30.300 -0.074 0.000 0.949 222 R HN 0.699 nan 8.270 nan 0.000 0.471 223 I N 1.995 122.497 120.570 -0.114 0.000 2.307 223 I HA 0.356 4.526 4.170 -0.000 0.000 0.289 223 I C -0.292 175.746 176.117 -0.132 0.000 1.021 223 I CA -0.637 60.611 61.300 -0.086 0.000 1.224 223 I CB 1.802 39.792 38.000 -0.016 0.000 1.376 223 I HN 0.213 nan 8.210 nan 0.000 0.470 224 R N 4.715 125.095 120.500 -0.200 0.000 2.868 224 R HA 0.284 4.624 4.340 -0.000 0.000 0.289 224 R C 0.222 176.508 176.300 -0.024 0.000 1.443 224 R CA -0.276 55.581 56.100 -0.404 0.000 1.651 224 R CB 0.112 29.912 30.300 -0.834 0.000 1.242 224 R HN 0.487 nan 8.270 nan 0.000 0.621 225 N N -0.027 118.748 118.700 0.127 0.000 2.299 225 N HA -0.068 4.672 4.740 -0.000 0.000 0.187 225 N C 0.067 175.669 175.510 0.153 0.000 1.099 225 N CA 0.244 53.369 53.050 0.125 0.000 0.867 225 N CB 0.173 38.713 38.487 0.088 0.000 0.974 225 N HN 0.407 nan 8.380 nan 0.000 0.477 226 H N 2.222 121.387 119.070 0.159 0.000 2.964 226 H HA 0.011 4.567 4.556 -0.000 0.000 0.328 226 H C 0.690 175.998 175.328 -0.033 0.000 1.030 226 H CA 0.821 56.833 56.048 -0.061 0.000 1.445 226 H CB 0.801 30.412 29.762 -0.252 0.000 1.449 226 H HN 0.182 nan 8.280 nan 0.000 0.581 227 E N 3.095 123.350 120.200 0.091 0.000 2.209 227 E HA -0.215 4.135 4.350 -0.000 0.000 0.196 227 E C 1.640 178.447 176.600 0.345 0.000 0.993 227 E CA 0.993 57.524 56.400 0.218 0.000 0.819 227 E CB 0.169 30.084 29.700 0.360 0.000 0.745 227 E HN 0.732 nan 8.360 nan 0.000 0.477 228 E N 0.011 120.392 120.200 0.302 0.000 2.265 228 E HA -0.184 4.166 4.350 -0.000 0.000 0.196 228 E C 1.209 177.794 176.600 -0.025 0.000 0.996 228 E CA 0.597 57.042 56.400 0.075 0.000 0.832 228 E CB -0.015 29.420 29.700 -0.441 0.000 0.756 228 E HN 0.204 nan 8.360 nan 0.000 0.491 229 F N 1.269 121.238 119.950 0.032 0.000 2.269 229 F HA -0.140 4.387 4.527 -0.001 0.000 0.301 229 F C 2.269 178.071 175.800 0.004 0.000 1.082 229 F CA 1.066 59.060 58.000 -0.011 0.000 1.360 229 F CB -0.347 38.633 39.000 -0.033 0.000 1.041 229 F HN 0.084 nan 8.300 nan 0.000 0.512 230 Q N -1.129 118.782 119.800 0.185 0.000 2.061 230 Q HA -0.278 4.062 4.340 -0.000 0.000 0.204 230 Q C 2.079 178.119 176.000 0.068 0.000 0.984 230 Q CA 2.210 58.060 55.803 0.079 0.000 0.846 230 Q CB -0.659 28.072 28.738 -0.012 0.000 0.902 230 Q HN 0.562 nan 8.270 nan 0.000 0.421 231 Y N 1.131 121.459 120.300 0.047 0.000 2.163 231 Y HA -0.167 4.382 4.550 -0.001 0.000 0.288 231 Y C 1.812 177.684 175.900 -0.047 0.000 1.136 231 Y CA 1.294 59.397 58.100 0.004 0.000 1.147 231 Y CB -0.137 38.373 38.460 0.083 0.000 0.987 231 Y HN -0.013 nan 8.280 nan 0.000 0.509 232 L N -0.121 121.064 121.223 -0.064 0.000 2.046 232 L HA -0.216 4.124 4.340 -0.000 0.000 0.208 232 L C 2.035 178.818 176.870 -0.146 0.000 1.077 232 L CA 1.474 56.230 54.840 -0.141 0.000 0.747 232 L CB -0.679 41.382 42.059 0.004 0.000 0.896 232 L HN 0.190 nan 8.230 nan 0.000 0.432 233 D N 0.423 120.789 120.400 -0.057 0.000 2.144 233 D HA -0.154 4.486 4.640 -0.000 0.000 0.199 233 D C 2.269 178.473 176.300 -0.160 0.000 0.984 233 D CA 1.267 55.230 54.000 -0.063 0.000 0.834 233 D CB -0.075 40.719 40.800 -0.011 0.000 0.955 233 D HN 0.321 nan 8.370 nan 0.000 0.465 234 I N 0.357 120.751 120.570 -0.292 0.000 2.252 234 I HA -0.215 3.955 4.170 -0.000 0.000 0.245 234 I C 2.388 178.242 176.117 -0.438 0.000 1.102 234 I CA 0.554 61.556 61.300 -0.497 0.000 1.385 234 I CB -0.087 37.475 38.000 -0.731 0.000 1.064 234 I HN -0.019 nan 8.210 nan 0.000 0.414 235 L N 0.469 121.406 121.223 -0.477 0.000 2.012 235 L HA -0.235 4.105 4.340 -0.000 0.000 0.210 235 L C 2.835 179.526 176.870 -0.299 0.000 1.073 235 L CA 1.511 56.107 54.840 -0.406 0.000 0.748 235 L CB -0.715 41.076 42.059 -0.446 0.000 0.891 235 L HN 0.258 nan 8.230 nan 0.000 0.431 236 A N -0.383 122.302 122.820 -0.224 0.000 1.930 236 A HA -0.275 4.045 4.320 -0.000 0.000 0.217 236 A C 1.939 179.447 177.584 -0.127 0.000 1.175 236 A CA 2.044 53.995 52.037 -0.145 0.000 0.627 236 A CB -0.597 18.374 19.000 -0.048 0.000 0.815 236 A HN 0.431 nan 8.150 nan 0.000 0.443 237 D N -0.592 119.755 120.400 -0.087 0.000 2.097 237 D HA -0.117 4.523 4.640 -0.000 0.000 0.195 237 D C 1.813 178.123 176.300 0.018 0.000 0.989 237 D CA 1.534 55.553 54.000 0.032 0.000 0.827 237 D CB -0.035 40.841 40.800 0.128 0.000 0.966 237 D HN 0.140 nan 8.370 nan 0.000 0.456 238 V N 0.399 120.281 119.914 -0.054 0.000 2.358 238 V HA -0.187 3.933 4.120 -0.000 0.000 0.246 238 V C 2.579 178.588 176.094 -0.140 0.000 1.047 238 V CA 1.144 63.430 62.300 -0.023 0.000 1.035 238 V CB -0.454 31.340 31.823 -0.048 0.000 0.658 238 V HN 0.310 nan 8.190 nan 0.000 0.452 239 L N -0.375 120.657 121.223 -0.318 0.000 2.083 239 L HA -0.147 4.193 4.340 -0.000 0.000 0.209 239 L C 2.604 179.263 176.870 -0.351 0.000 1.083 239 L CA 1.591 56.085 54.840 -0.577 0.000 0.752 239 L CB -0.589 40.839 42.059 -1.052 0.000 0.899 239 L HN 0.296 nan 8.230 nan 0.000 0.433 240 S N -1.434 114.128 115.700 -0.230 0.000 2.371 240 S HA -0.145 4.325 4.470 -0.000 0.000 0.224 240 S C 1.369 175.717 174.600 -0.419 0.000 1.029 240 S CA 1.246 59.245 58.200 -0.335 0.000 0.978 240 S CB -0.151 62.661 63.200 -0.647 0.000 0.833 240 S HN 0.586 nan 8.310 nan 0.000 0.466 241 H N -0.873 118.219 119.070 0.037 0.000 3.233 241 H HA 0.356 4.912 4.556 -0.001 0.000 0.263 241 H C 0.913 176.288 175.328 0.080 0.000 1.168 241 H CA -0.216 55.865 56.048 0.056 0.000 1.159 241 H CB 0.356 30.149 29.762 0.052 0.000 1.593 241 H HN 0.301 nan 8.280 nan 0.000 0.580 242 G N 1.148 110.052 108.800 0.173 0.000 2.483 242 G HA2 0.328 4.287 3.960 -0.000 0.000 0.248 242 G HA3 0.328 4.287 3.960 -0.000 0.000 0.248 242 G C -0.176 174.864 174.900 0.233 0.000 1.248 242 G CA -0.303 44.916 45.100 0.199 0.000 0.838 242 G HN 0.059 nan 8.290 nan 0.000 0.566 243 V N 2.558 122.572 119.914 0.167 0.000 2.498 243 V HA 0.142 4.261 4.120 -0.000 0.000 0.279 243 V C 0.356 176.476 176.094 0.042 0.000 1.048 243 V CA -0.701 61.665 62.300 0.110 0.000 0.967 243 V CB 1.296 33.150 31.823 0.052 0.000 0.988 243 V HN 0.604 nan 8.190 nan 0.000 0.473 244 L N 7.493 128.688 121.223 -0.047 0.000 2.369 244 L HA 0.431 4.771 4.340 -0.000 0.000 0.279 244 L C 0.100 176.857 176.870 -0.188 0.000 1.108 244 L CA 0.416 55.060 54.840 -0.327 0.000 0.852 244 L CB -0.183 41.603 42.059 -0.455 0.000 1.169 244 L HN 0.840 nan 8.230 nan 0.000 0.452 245 K N 4.673 124.961 120.400 -0.186 0.000 2.512 245 K HA 0.742 5.062 4.320 -0.000 0.000 0.263 245 K C -3.078 173.448 176.600 -0.123 0.000 0.966 245 K CA -1.992 54.222 56.287 -0.121 0.000 0.851 245 K CB 1.543 33.995 32.500 -0.079 0.000 1.395 245 K HN 0.162 nan 8.250 nan 0.000 0.440 246 P HA 0.204 nan 4.420 nan 0.000 0.274 246 P C -1.311 175.957 177.300 -0.055 0.000 1.256 246 P CA -0.329 62.735 63.100 -0.059 0.000 0.795 246 P CB 0.379 32.056 31.700 -0.037 0.000 1.038 247 N N -2.185 116.501 118.700 -0.023 0.000 3.277 247 N HA 0.259 4.998 4.740 -0.000 0.000 0.278 247 N C 0.545 176.077 175.510 0.037 0.000 1.544 247 N CA -1.050 51.996 53.050 -0.007 0.000 0.869 247 N CB 0.449 38.910 38.487 -0.043 0.000 1.584 247 N HN 0.104 nan 8.380 nan 0.000 0.564 248 R N -0.874 119.662 120.500 0.060 0.000 2.139 248 R HA -0.168 4.172 4.340 -0.000 0.000 0.243 248 R C 1.095 177.448 176.300 0.088 0.000 1.145 248 R CA 2.586 58.734 56.100 0.081 0.000 0.976 248 R CB -0.749 29.620 30.300 0.116 0.000 0.866 248 R HN 0.841 nan 8.270 nan 0.000 0.449 249 T N -3.646 110.968 114.554 0.100 0.000 3.023 249 T HA 0.095 4.444 4.350 -0.000 0.000 0.266 249 T C 1.463 176.191 174.700 0.046 0.000 1.093 249 T CA 0.951 63.095 62.100 0.073 0.000 1.129 249 T CB 0.039 68.920 68.868 0.022 0.000 0.899 249 T HN 0.481 nan 8.240 nan 0.000 0.491 250 G N 0.688 109.516 108.800 0.048 0.000 2.184 250 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.264 250 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.264 250 G C 0.187 175.100 174.900 0.021 0.000 0.975 250 G CA 0.391 45.508 45.100 0.027 0.000 0.642 250 G HN 0.773 nan 8.290 nan 0.000 0.536 251 T N 1.919 116.496 114.554 0.038 0.000 2.771 251 T HA 0.512 4.861 4.350 -0.000 0.000 0.281 251 T C -0.185 174.587 174.700 0.120 0.000 0.982 251 T CA -0.537 61.597 62.100 0.056 0.000 0.978 251 T CB 1.597 70.478 68.868 0.020 0.000 0.930 251 T HN 0.197 nan 8.240 nan 0.000 0.447 252 D N 2.076 122.493 120.400 0.027 0.000 2.361 252 D HA 0.529 5.169 4.640 -0.000 0.000 0.239 252 D C -0.052 176.185 176.300 -0.104 0.000 1.200 252 D CA -0.102 53.864 54.000 -0.057 0.000 0.915 252 D CB 0.800 41.523 40.800 -0.129 0.000 1.170 252 D HN 0.662 nan 8.370 nan 0.000 0.444 253 A N 0.919 123.588 122.820 -0.253 0.000 2.449 253 A HA 0.480 4.799 4.320 -0.000 0.000 0.302 253 A C -1.431 175.969 177.584 -0.306 0.000 1.048 253 A CA -0.736 51.096 52.037 -0.341 0.000 0.708 253 A CB 0.707 19.308 19.000 -0.664 0.000 1.274 253 A HN 0.416 nan 8.150 nan 0.000 0.410 254 Y N 1.074 121.322 120.300 -0.088 0.000 2.442 254 Y HA 0.453 5.003 4.550 -0.000 0.000 0.330 254 Y C 1.153 177.048 175.900 -0.007 0.000 1.129 254 Y CA 1.011 59.087 58.100 -0.040 0.000 1.365 254 Y CB 1.240 39.674 38.460 -0.043 0.000 1.233 254 Y HN 0.606 nan 8.280 nan 0.000 0.529 255 S N 3.706 119.499 115.700 0.156 0.000 2.536 255 S HA 0.715 5.185 4.470 -0.000 0.000 0.287 255 S C -1.237 173.468 174.600 0.175 0.000 1.101 255 S CA -0.842 57.452 58.200 0.156 0.000 0.950 255 S CB 1.172 64.424 63.200 0.087 0.000 1.056 255 S HN 0.676 nan 8.310 nan 0.000 0.481 256 K N 2.197 122.729 120.400 0.221 0.000 2.532 256 K HA 0.580 4.899 4.320 -0.000 0.000 0.265 256 K C -2.063 174.694 176.600 0.263 0.000 0.948 256 K CA -0.693 55.729 56.287 0.224 0.000 0.842 256 K CB 1.406 34.061 32.500 0.259 0.000 1.392 256 K HN 0.505 nan 8.250 nan 0.000 0.436 257 F N 1.832 121.754 119.950 -0.046 0.000 2.444 257 F HA 0.599 5.126 4.527 -0.000 0.000 0.342 257 F C 0.067 175.702 175.800 -0.274 0.000 1.121 257 F CA 0.064 58.010 58.000 -0.090 0.000 0.997 257 F CB 1.882 40.844 39.000 -0.063 0.000 1.130 257 F HN 0.635 nan 8.300 nan 0.000 0.454 258 G N 4.919 113.298 108.800 -0.702 0.000 3.081 258 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.603 258 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.603 258 G C -1.707 172.738 174.900 -0.758 0.000 1.106 258 G CA -0.670 43.978 45.100 -0.752 0.000 1.001 258 G HN 0.755 nan 8.290 nan 0.000 0.445 259 Y N -0.109 120.035 120.300 -0.261 0.000 2.634 259 Y HA 0.816 5.366 4.550 -0.000 0.000 0.340 259 Y C 0.314 176.090 175.900 -0.206 0.000 1.058 259 Y CA -0.960 57.022 58.100 -0.197 0.000 1.081 259 Y CB 2.308 40.666 38.460 -0.170 0.000 1.295 259 Y HN 0.619 nan 8.280 nan 0.000 0.487 260 Q N 2.034 121.841 119.800 0.012 0.000 2.275 260 Q HA 0.561 4.901 4.340 -0.000 0.000 0.258 260 Q C -1.924 174.013 176.000 -0.104 0.000 0.960 260 Q CA -0.471 55.284 55.803 -0.080 0.000 0.801 260 Q CB 1.471 30.146 28.738 -0.105 0.000 1.302 260 Q HN 0.763 nan 8.270 nan 0.000 0.433 261 M N 3.412 122.924 119.600 -0.148 0.000 2.578 261 M HA 0.647 5.127 4.480 -0.000 0.000 0.321 261 M C -0.564 175.503 176.300 -0.390 0.000 1.182 261 M CA -0.760 54.383 55.300 -0.262 0.000 0.965 261 M CB 2.029 34.518 32.600 -0.184 0.000 1.694 261 M HN 0.551 nan 8.290 nan 0.000 0.461 262 R N 1.097 121.239 120.500 -0.597 0.000 2.725 262 R HA 0.789 5.129 4.340 -0.000 0.000 0.277 262 R C -2.044 173.813 176.300 -0.739 0.000 0.987 262 R CA -0.680 55.114 56.100 -0.509 0.000 0.901 262 R CB 1.522 31.672 30.300 -0.250 0.000 1.207 262 R HN 0.503 nan 8.270 nan 0.000 0.463 263 F N 0.514 120.472 119.950 0.013 0.000 2.539 263 F HA 0.211 4.737 4.527 -0.001 0.000 0.318 263 F C -0.195 175.638 175.800 0.054 0.000 1.135 263 F CA -0.984 57.049 58.000 0.055 0.000 0.915 263 F CB 2.076 41.121 39.000 0.075 0.000 1.176 263 F HN 0.510 nan 8.300 nan 0.000 0.440 264 D N 4.255 124.758 120.400 0.171 0.000 2.374 264 D HA 0.164 4.803 4.640 -0.000 0.000 0.240 264 D C 0.813 177.181 176.300 0.113 0.000 1.229 264 D CA 0.239 54.305 54.000 0.111 0.000 0.895 264 D CB 0.783 41.613 40.800 0.049 0.000 1.046 264 D HN 0.603 nan 8.370 nan 0.000 0.498 265 L N 2.753 124.054 121.223 0.130 0.000 2.478 265 L HA -0.090 4.250 4.340 -0.000 0.000 0.223 265 L C 2.331 179.248 176.870 0.077 0.000 1.140 265 L CA 0.406 55.310 54.840 0.107 0.000 0.842 265 L CB -0.316 41.819 42.059 0.126 0.000 0.953 265 L HN 0.346 nan 8.230 nan 0.000 0.452 266 S N -0.109 115.635 115.700 0.073 0.000 2.428 266 S HA -0.108 4.361 4.470 -0.000 0.000 0.230 266 S C 2.027 176.654 174.600 0.046 0.000 1.014 266 S CA 0.474 58.710 58.200 0.059 0.000 0.957 266 S CB -0.011 63.228 63.200 0.065 0.000 0.784 266 S HN 0.438 nan 8.310 nan 0.000 0.499 267 R N 0.952 121.471 120.500 0.031 0.000 2.123 267 R HA 0.269 4.609 4.340 -0.000 0.000 0.209 267 R C 0.697 176.980 176.300 -0.028 0.000 1.078 267 R CA 0.922 57.018 56.100 -0.007 0.000 1.028 267 R CB 0.197 30.442 30.300 -0.093 0.000 0.939 267 R HN 0.599 nan 8.270 nan 0.000 0.463 268 S N -1.110 114.592 115.700 0.004 0.000 2.643 268 S HA 0.374 4.844 4.470 -0.000 0.000 0.270 268 S C -1.547 173.073 174.600 0.033 0.000 1.166 268 S CA -0.995 57.225 58.200 0.032 0.000 0.815 268 S CB 1.352 64.596 63.200 0.074 0.000 1.139 268 S HN 0.078 nan 8.310 nan 0.000 0.472 269 F N 3.249 123.081 119.950 -0.197 0.000 2.388 269 F HA 0.627 5.154 4.527 -0.000 0.000 0.358 269 F C -2.414 172.945 175.800 -0.735 0.000 1.122 269 F CA -2.437 55.351 58.000 -0.353 0.000 1.056 269 F CB 2.089 40.919 39.000 -0.284 0.000 1.155 269 F HN 0.373 nan 8.300 nan 0.000 0.461 270 P HA 0.071 nan 4.420 nan 0.000 0.230 270 P C -0.701 175.637 177.300 -1.603 0.000 1.791 270 P CA -0.012 61.819 63.100 -2.114 0.000 1.020 270 P CB 0.250 30.991 31.700 -1.599 0.000 1.977 271 L N 2.858 123.332 121.223 -1.248 0.000 2.260 271 L HA 0.219 4.559 4.340 -0.000 0.000 0.289 271 L C 0.219 177.015 176.870 -0.124 0.000 1.057 271 L CA -0.686 53.767 54.840 -0.645 0.000 0.811 271 L CB 0.268 42.010 42.059 -0.528 0.000 1.184 271 L HN 0.088 nan 8.230 nan 0.000 0.429 272 L N 4.331 125.512 121.223 -0.069 0.000 2.559 272 L HA 0.024 4.364 4.340 -0.000 0.000 0.282 272 L C 1.414 178.474 176.870 0.316 0.000 1.232 272 L CA 0.626 55.551 54.840 0.143 0.000 0.885 272 L CB 0.262 42.280 42.059 -0.068 0.000 1.131 272 L HN 0.836 nan 8.230 nan 0.000 0.498 273 T N -4.345 110.381 114.554 0.286 0.000 3.022 273 T HA -0.046 4.304 4.350 -0.000 0.000 0.250 273 T C 1.411 176.242 174.700 0.218 0.000 1.060 273 T CA 0.409 62.659 62.100 0.250 0.000 1.013 273 T CB -0.101 68.906 68.868 0.231 0.000 0.982 273 T HN 0.745 nan 8.240 nan 0.000 0.508 274 T N 0.277 114.886 114.554 0.092 0.000 3.160 274 T HA 0.203 4.552 4.350 -0.000 0.000 0.257 274 T C 0.468 175.187 174.700 0.031 0.000 1.147 274 T CA -0.109 61.987 62.100 -0.007 0.000 1.064 274 T CB -0.489 68.308 68.868 -0.118 0.000 0.949 274 T HN 0.799 nan 8.240 nan 0.000 0.526 275 K N -0.213 120.243 120.400 0.093 0.000 2.556 275 K HA 0.439 4.758 4.320 -0.000 0.000 0.274 275 K C -1.521 175.152 176.600 0.122 0.000 0.966 275 K CA -1.200 55.143 56.287 0.094 0.000 0.865 275 K CB 1.628 34.162 32.500 0.056 0.000 1.444 275 K HN -0.092 nan 8.250 nan 0.000 0.433 276 K N 2.145 122.606 120.400 0.101 0.000 2.349 276 K HA 0.174 4.494 4.320 -0.000 0.000 0.289 276 K C -0.915 175.782 176.600 0.162 0.000 1.064 276 K CA -0.506 55.864 56.287 0.138 0.000 0.947 276 K CB 0.854 33.396 32.500 0.070 0.000 1.007 276 K HN 0.439 nan 8.250 nan 0.000 0.478 277 V N 3.528 123.574 119.914 0.220 0.000 2.472 277 V HA 0.276 4.396 4.120 -0.000 0.000 0.290 277 V C 0.259 176.348 176.094 -0.009 0.000 1.037 277 V CA -0.857 61.490 62.300 0.078 0.000 0.908 277 V CB 1.406 33.213 31.823 -0.027 0.000 0.985 277 V HN 0.907 nan 8.190 nan 0.000 0.454 278 A N 4.424 127.232 122.820 -0.020 0.000 3.026 278 A HA 0.220 4.540 4.320 -0.000 0.000 0.272 278 A C 1.177 178.579 177.584 -0.303 0.000 1.782 278 A CA -0.122 51.868 52.037 -0.077 0.000 1.451 278 A CB -0.623 18.430 19.000 0.089 0.000 1.081 278 A HN 0.893 nan 8.150 nan 0.000 0.611 279 L N 2.008 123.061 121.223 -0.284 0.000 2.042 279 L HA -0.181 4.159 4.340 -0.000 0.000 0.210 279 L C 2.365 179.058 176.870 -0.294 0.000 1.076 279 L CA 2.288 56.922 54.840 -0.343 0.000 0.749 279 L CB -0.433 41.452 42.059 -0.289 0.000 0.893 279 L HN 0.723 nan 8.230 nan 0.000 0.432 280 R N -1.021 119.358 120.500 -0.202 0.000 2.103 280 R HA -0.174 4.166 4.340 -0.000 0.000 0.242 280 R C 2.220 178.418 176.300 -0.170 0.000 1.142 280 R CA 1.871 57.876 56.100 -0.159 0.000 0.960 280 R CB -0.287 29.949 30.300 -0.107 0.000 0.858 280 R HN 0.476 nan 8.270 nan 0.000 0.439 281 S N 0.566 116.166 115.700 -0.166 0.000 2.382 281 S HA -0.105 4.365 4.470 -0.000 0.000 0.228 281 S C 1.886 176.376 174.600 -0.185 0.000 1.027 281 S CA 1.313 59.443 58.200 -0.117 0.000 0.991 281 S CB -0.181 63.049 63.200 0.051 0.000 0.823 281 S HN 0.300 nan 8.310 nan 0.000 0.469 282 I N 1.342 121.661 120.570 -0.418 0.000 2.163 282 I HA -0.204 3.966 4.170 -0.000 0.000 0.243 282 I C 2.039 178.002 176.117 -0.258 0.000 1.085 282 I CA 1.307 62.355 61.300 -0.421 0.000 1.347 282 I CB -0.415 37.224 38.000 -0.602 0.000 1.044 282 I HN 0.251 nan 8.210 nan 0.000 0.408 283 I N 0.178 120.603 120.570 -0.243 0.000 2.252 283 I HA -0.224 3.946 4.170 -0.000 0.000 0.245 283 I C 2.546 178.574 176.117 -0.148 0.000 1.102 283 I CA 1.178 62.364 61.300 -0.190 0.000 1.385 283 I CB -0.438 37.452 38.000 -0.183 0.000 1.064 283 I HN 0.223 nan 8.210 nan 0.000 0.414 284 E N 0.659 120.772 120.200 -0.144 0.000 2.106 284 E HA -0.263 4.087 4.350 -0.000 0.000 0.192 284 E C 1.977 178.491 176.600 -0.143 0.000 0.984 284 E CA 1.064 57.393 56.400 -0.118 0.000 0.806 284 E CB -0.238 29.386 29.700 -0.126 0.000 0.750 284 E HN 0.545 nan 8.360 nan 0.000 0.458 285 E N 0.679 120.755 120.200 -0.206 0.000 2.077 285 E HA -0.192 4.157 4.350 -0.000 0.000 0.193 285 E C 2.208 178.513 176.600 -0.491 0.000 0.989 285 E CA 0.662 56.870 56.400 -0.320 0.000 0.800 285 E CB -0.014 29.529 29.700 -0.262 0.000 0.746 285 E HN 0.075 nan 8.360 nan 0.000 0.452 286 L N 0.990 122.031 121.223 -0.304 0.000 2.046 286 L HA -0.144 4.196 4.340 -0.000 0.000 0.208 286 L C 2.191 179.049 176.870 -0.019 0.000 1.077 286 L CA 1.471 56.221 54.840 -0.151 0.000 0.747 286 L CB -0.386 41.623 42.059 -0.083 0.000 0.896 286 L HN 0.206 nan 8.230 nan 0.000 0.432 287 L N -2.087 119.131 121.223 -0.008 0.000 2.083 287 L HA -0.237 4.103 4.340 -0.000 0.000 0.209 287 L C 2.383 179.332 176.870 0.131 0.000 1.083 287 L CA 1.618 56.501 54.840 0.072 0.000 0.752 287 L CB -0.841 41.252 42.059 0.056 0.000 0.899 287 L HN 0.507 nan 8.230 nan 0.000 0.433 288 W N 0.688 121.901 121.300 -0.144 0.000 2.379 288 W HA -0.198 4.462 4.660 -0.000 0.000 0.307 288 W C 2.269 178.747 176.519 -0.068 0.000 1.200 288 W CA 1.192 58.462 57.345 -0.125 0.000 1.297 288 W CB -0.277 29.060 29.460 -0.205 0.000 1.140 288 W HN -0.037 nan 8.180 nan 0.000 0.507 289 F N 0.657 120.572 119.950 -0.058 0.000 2.069 289 F HA -0.227 4.300 4.527 -0.000 0.000 0.298 289 F C 2.351 177.988 175.800 -0.273 0.000 1.113 289 F CA 1.580 59.301 58.000 -0.464 0.000 1.214 289 F CB -1.617 36.912 39.000 -0.785 0.000 0.978 289 F HN -0.144 nan 8.300 nan 0.000 0.474 290 I N 0.517 121.213 120.570 0.210 0.000 2.208 290 I HA -0.325 3.845 4.170 -0.000 0.000 0.245 290 I C 2.318 178.547 176.117 0.188 0.000 1.097 290 I CA 1.733 63.220 61.300 0.311 0.000 1.363 290 I CB -0.557 37.615 38.000 0.287 0.000 1.051 290 I HN 0.170 nan 8.210 nan 0.000 0.413 291 K N 1.299 121.768 120.400 0.114 0.000 2.555 291 K HA 0.083 4.403 4.320 -0.000 0.000 0.193 291 K C 1.261 177.897 176.600 0.061 0.000 1.032 291 K CA 0.872 57.213 56.287 0.090 0.000 1.004 291 K CB -0.174 32.381 32.500 0.091 0.000 0.804 291 K HN 0.345 nan 8.250 nan 0.000 0.496 292 G N 1.137 109.942 108.800 0.007 0.000 2.147 292 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.244 292 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.244 292 G C -0.019 174.839 174.900 -0.069 0.000 1.005 292 G CA 0.403 45.505 45.100 0.005 0.000 0.713 292 G HN 0.489 nan 8.290 nan 0.000 0.515 293 S N -0.396 115.120 115.700 -0.307 0.000 2.580 293 S HA 0.592 5.062 4.470 -0.000 0.000 0.274 293 S C 1.512 175.742 174.600 -0.616 0.000 1.329 293 S CA 1.052 59.020 58.200 -0.385 0.000 1.036 293 S CB 0.950 63.900 63.200 -0.417 0.000 0.919 293 S HN 1.212 nan 8.310 nan 0.000 0.515 294 T N 0.864 115.280 114.554 -0.230 0.000 3.091 294 T HA 0.269 4.619 4.350 -0.000 0.000 0.277 294 T C 0.038 174.779 174.700 0.069 0.000 0.996 294 T CA -0.531 61.466 62.100 -0.171 0.000 0.897 294 T CB -0.283 68.530 68.868 -0.093 0.000 1.109 294 T HN 0.444 nan 8.240 nan 0.000 0.534 295 N N 1.399 120.216 118.700 0.196 0.000 2.485 295 N HA 0.392 5.131 4.740 -0.000 0.000 0.243 295 N C 1.392 177.173 175.510 0.451 0.000 0.987 295 N CA -0.177 53.029 53.050 0.259 0.000 0.940 295 N CB 1.251 39.844 38.487 0.177 0.000 1.122 295 N HN 0.299 nan 8.380 nan 0.000 0.509 296 G N 3.052 112.048 108.800 0.327 0.000 2.470 296 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.220 296 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.220 296 G C 1.255 176.101 174.900 -0.090 0.000 1.121 296 G CA 0.225 45.398 45.100 0.121 0.000 0.766 296 G HN 0.585 nan 8.290 nan 0.000 0.553 297 N N 1.298 119.996 118.700 -0.004 0.000 2.289 297 N HA -0.089 4.651 4.740 -0.000 0.000 0.184 297 N C 1.373 176.872 175.510 -0.018 0.000 1.016 297 N CA 1.144 54.167 53.050 -0.045 0.000 0.872 297 N CB -0.145 38.375 38.487 0.056 0.000 0.973 297 N HN 0.235 nan 8.380 nan 0.000 0.433 298 D N 0.817 121.259 120.400 0.069 0.000 2.218 298 D HA -0.049 4.591 4.640 -0.000 0.000 0.204 298 D C 2.089 178.340 176.300 -0.081 0.000 0.976 298 D CA 0.415 54.464 54.000 0.083 0.000 0.853 298 D CB -0.044 40.933 40.800 0.295 0.000 0.939 298 D HN 0.287 nan 8.370 nan 0.000 0.481 299 L N -0.104 120.951 121.223 -0.280 0.000 2.127 299 L HA 0.016 4.356 4.340 -0.000 0.000 0.203 299 L C 2.428 179.157 176.870 -0.235 0.000 1.080 299 L CA 0.286 54.896 54.840 -0.385 0.000 0.768 299 L CB -0.189 41.471 42.059 -0.664 0.000 0.924 299 L HN -0.004 nan 8.230 nan 0.000 0.444 300 L N 0.045 121.138 121.223 -0.217 0.000 2.079 300 L HA -0.226 4.114 4.340 -0.000 0.000 0.210 300 L C 2.760 179.565 176.870 -0.107 0.000 1.081 300 L CA 1.268 56.007 54.840 -0.168 0.000 0.752 300 L CB -0.720 41.218 42.059 -0.202 0.000 0.896 300 L HN 0.256 nan 8.230 nan 0.000 0.433 301 A N -0.305 122.466 122.820 -0.082 0.000 2.125 301 A HA -0.151 4.169 4.320 -0.000 0.000 0.219 301 A C 1.938 179.493 177.584 -0.048 0.000 1.156 301 A CA 1.246 53.255 52.037 -0.046 0.000 0.671 301 A CB -0.245 18.744 19.000 -0.017 0.000 0.794 301 A HN 0.371 nan 8.150 nan 0.000 0.459 302 K N -0.667 119.690 120.400 -0.071 0.000 2.437 302 K HA 0.088 4.408 4.320 -0.000 0.000 0.205 302 K C 0.168 176.723 176.600 -0.075 0.000 1.026 302 K CA 0.073 56.320 56.287 -0.068 0.000 1.153 302 K CB 0.122 32.578 32.500 -0.075 0.000 0.863 302 K HN 0.353 nan 8.250 nan 0.000 0.502 303 N N 1.052 119.707 118.700 -0.075 0.000 2.740 303 N HA -0.161 4.578 4.740 -0.000 0.000 0.248 303 N C -1.602 173.857 175.510 -0.085 0.000 1.062 303 N CA 0.444 53.451 53.050 -0.071 0.000 0.704 303 N CB -1.202 37.254 38.487 -0.052 0.000 0.968 303 N HN -0.021 nan 8.380 nan 0.000 0.547 304 V N 1.381 121.226 119.914 -0.116 0.000 2.407 304 V HA 0.410 4.530 4.120 -0.000 0.000 0.291 304 V C 1.017 177.019 176.094 -0.155 0.000 1.018 304 V CA -0.581 61.641 62.300 -0.130 0.000 0.842 304 V CB 1.787 33.513 31.823 -0.162 0.000 0.996 304 V HN 0.264 nan 8.190 nan 0.000 0.426 305 R N 3.339 123.759 120.500 -0.134 0.000 2.543 305 R HA 0.277 4.616 4.340 -0.000 0.000 0.323 305 R C 1.625 177.827 176.300 -0.163 0.000 1.002 305 R CA -0.010 56.010 56.100 -0.134 0.000 1.106 305 R CB 0.346 30.586 30.300 -0.099 0.000 1.280 305 R HN 0.880 nan 8.270 nan 0.000 0.549 306 I N -2.920 117.515 120.570 -0.225 0.000 2.454 306 I HA -0.089 4.081 4.170 -0.000 0.000 0.254 306 I C 0.949 176.755 176.117 -0.519 0.000 1.156 306 I CA 1.325 62.390 61.300 -0.391 0.000 1.433 306 I CB -0.109 37.606 38.000 -0.474 0.000 1.082 306 I HN 0.113 nan 8.210 nan 0.000 0.432 307 W N 1.538 122.738 121.300 -0.167 0.000 3.239 307 W HA 0.236 4.896 4.660 -0.000 0.000 0.348 307 W C 2.263 178.738 176.519 -0.074 0.000 1.183 307 W CA -0.382 56.895 57.345 -0.113 0.000 1.819 307 W CB 0.256 29.636 29.460 -0.133 0.000 1.091 307 W HN 0.185 nan 8.180 nan 0.000 0.629 308 E N 0.955 121.195 120.200 0.067 0.000 2.072 308 E HA -0.185 4.165 4.350 -0.000 0.000 0.191 308 E C 1.874 178.576 176.600 0.170 0.000 0.985 308 E CA 1.164 57.624 56.400 0.099 0.000 0.801 308 E CB -0.207 29.496 29.700 0.004 0.000 0.750 308 E HN 0.293 nan 8.360 nan 0.000 0.452 309 L N 0.653 121.900 121.223 0.041 0.000 2.141 309 L HA -0.130 4.210 4.340 -0.000 0.000 0.209 309 L C 1.789 178.597 176.870 -0.102 0.000 1.094 309 L CA 1.027 55.861 54.840 -0.010 0.000 0.763 309 L CB -0.315 41.701 42.059 -0.071 0.000 0.908 309 L HN 0.135 nan 8.230 nan 0.000 0.437 310 N N -0.264 118.361 118.700 -0.126 0.000 2.494 310 N HA -0.054 4.686 4.740 -0.000 0.000 0.182 310 N C 1.525 177.041 175.510 0.009 0.000 1.076 310 N CA 0.833 53.670 53.050 -0.356 0.000 0.908 310 N CB 0.116 38.552 38.487 -0.084 0.000 0.967 310 N HN 0.258 nan 8.380 nan 0.000 0.449 311 G N -0.590 108.305 108.800 0.158 0.000 3.159 311 G HA2 0.091 4.050 3.960 -0.000 0.000 0.232 311 G HA3 0.091 4.050 3.960 -0.000 0.000 0.232 311 G C 0.348 175.175 174.900 -0.121 0.000 1.116 311 G CA -0.345 44.836 45.100 0.134 0.000 0.767 311 G HN 0.087 nan 8.290 nan 0.000 0.547 312 R N 0.023 120.531 120.500 0.013 0.000 2.539 312 R HA 0.266 4.606 4.340 -0.000 0.000 0.275 312 R C 1.547 177.882 176.300 0.058 0.000 1.077 312 R CA -0.649 55.438 56.100 -0.022 0.000 1.097 312 R CB 0.920 31.262 30.300 0.070 0.000 1.018 312 R HN 0.058 nan 8.270 nan 0.000 0.483 313 R N 2.736 123.238 120.500 0.003 0.000 2.134 313 R HA -0.291 4.049 4.340 -0.000 0.000 0.248 313 R C 1.908 178.251 176.300 0.072 0.000 1.143 313 R CA 2.922 59.042 56.100 0.032 0.000 0.957 313 R CB -0.976 29.334 30.300 0.017 0.000 0.867 313 R HN 0.930 nan 8.270 nan 0.000 0.441 314 D N -1.269 119.183 120.400 0.087 0.000 2.144 314 D HA -0.184 4.456 4.640 -0.000 0.000 0.199 314 D C 1.790 178.167 176.300 0.128 0.000 0.984 314 D CA 1.346 55.400 54.000 0.091 0.000 0.834 314 D CB -0.616 40.238 40.800 0.090 0.000 0.955 314 D HN 0.382 nan 8.370 nan 0.000 0.465 315 F N 0.434 120.412 119.950 0.047 0.000 2.187 315 F HA 0.131 4.658 4.527 0.000 0.000 0.295 315 F C 2.250 178.118 175.800 0.113 0.000 1.091 315 F CA 0.775 58.819 58.000 0.074 0.000 1.308 315 F CB -0.134 38.915 39.000 0.082 0.000 1.030 315 F HN 0.089 nan 8.300 nan 0.000 0.487 316 L N 0.095 121.420 121.223 0.170 0.000 1.989 316 L HA -0.250 4.090 4.340 -0.000 0.000 0.211 316 L C 2.065 178.971 176.870 0.060 0.000 1.071 316 L CA 1.728 56.667 54.840 0.166 0.000 0.749 316 L CB -0.831 41.336 42.059 0.181 0.000 0.890 316 L HN 0.084 nan 8.230 nan 0.000 0.431 317 D N 0.108 120.520 120.400 0.020 0.000 2.219 317 D HA -0.125 4.515 4.640 -0.000 0.000 0.205 317 D C 2.356 178.608 176.300 -0.081 0.000 0.970 317 D CA 1.513 55.500 54.000 -0.021 0.000 0.851 317 D CB 0.049 40.847 40.800 -0.002 0.000 0.943 317 D HN 0.293 nan 8.370 nan 0.000 0.488 318 K N 0.810 121.144 120.400 -0.111 0.000 2.228 318 K HA 0.033 4.352 4.320 -0.000 0.000 0.202 318 K C 1.474 177.945 176.600 -0.215 0.000 1.051 318 K CA 0.681 56.886 56.287 -0.138 0.000 0.960 318 K CB -0.581 31.854 32.500 -0.109 0.000 0.743 318 K HN 0.199 nan 8.250 nan 0.000 0.458 319 N N -0.430 118.082 118.700 -0.314 0.000 2.238 319 N HA 0.163 4.902 4.740 -0.000 0.000 0.222 319 N C 0.498 175.714 175.510 -0.491 0.000 1.133 319 N CA 0.560 53.398 53.050 -0.353 0.000 0.854 319 N CB 1.162 39.392 38.487 -0.430 0.000 1.041 319 N HN 0.528 nan 8.380 nan 0.000 0.510 320 G N 1.106 109.665 108.800 -0.401 0.000 2.141 320 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.242 320 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.242 320 G C -0.142 174.418 174.900 -0.567 0.000 0.982 320 G CA -0.390 44.431 45.100 -0.464 0.000 0.662 320 G HN 0.300 nan 8.290 nan 0.000 0.527 321 F N 2.179 122.077 119.950 -0.087 0.000 2.753 321 F HA 0.327 4.854 4.527 0.000 0.000 0.314 321 F C 2.087 177.866 175.800 -0.035 0.000 1.215 321 F CA 0.276 58.244 58.000 -0.053 0.000 1.243 321 F CB 0.110 39.084 39.000 -0.044 0.000 1.400 321 F HN 0.165 nan 8.300 nan 0.000 0.548 322 T N -4.687 109.897 114.554 0.051 0.000 2.962 322 T HA -0.091 4.259 4.350 -0.000 0.000 0.270 322 T C 1.369 176.099 174.700 0.050 0.000 1.088 322 T CA 1.497 63.617 62.100 0.035 0.000 1.127 322 T CB -0.537 68.328 68.868 -0.006 0.000 0.883 322 T HN 0.454 nan 8.240 nan 0.000 0.493 323 D N 0.675 121.115 120.400 0.067 0.000 2.340 323 D HA 0.230 4.870 4.640 -0.000 0.000 0.217 323 D C 0.975 177.322 176.300 0.078 0.000 1.081 323 D CA -0.389 53.648 54.000 0.061 0.000 0.842 323 D CB -0.082 40.748 40.800 0.050 0.000 0.934 323 D HN 0.199 nan 8.370 nan 0.000 0.511 324 R N 0.795 121.357 120.500 0.104 0.000 2.357 324 R HA 0.372 4.712 4.340 -0.000 0.000 0.296 324 R C 0.022 176.356 176.300 0.058 0.000 1.052 324 R CA -0.374 55.775 56.100 0.083 0.000 0.988 324 R CB 1.305 31.651 30.300 0.076 0.000 1.025 324 R HN 0.541 nan 8.270 nan 0.000 0.469 325 E N 1.824 122.056 120.200 0.052 0.000 2.415 325 E HA -0.084 4.266 4.350 -0.000 0.000 0.262 325 E C -0.532 176.079 176.600 0.018 0.000 1.038 325 E CA -0.020 56.412 56.400 0.054 0.000 0.921 325 E CB 0.668 30.426 29.700 0.097 0.000 0.950 325 E HN 0.363 nan 8.360 nan 0.000 0.438 326 E N 2.150 122.343 120.200 -0.013 0.000 2.502 326 E HA -0.175 4.175 4.350 -0.000 0.000 0.261 326 E C -0.466 176.064 176.600 -0.116 0.000 0.974 326 E CA 0.283 56.591 56.400 -0.154 0.000 0.936 326 E CB 0.161 29.740 29.700 -0.201 0.000 0.926 326 E HN 0.629 nan 8.360 nan 0.000 0.459 327 H N 1.115 120.226 119.070 0.068 0.000 3.211 327 H HA -0.206 4.350 4.556 -0.000 0.000 0.240 327 H C -0.493 174.861 175.328 0.045 0.000 1.148 327 H CA 1.146 57.234 56.048 0.066 0.000 1.160 327 H CB -1.378 28.428 29.762 0.073 0.000 1.232 327 H HN 0.530 nan 8.280 nan 0.000 0.321 328 D N 1.179 121.620 120.400 0.068 0.000 2.374 328 D HA 0.174 4.814 4.640 -0.000 0.000 0.240 328 D C 1.283 177.552 176.300 -0.051 0.000 1.229 328 D CA -0.278 53.732 54.000 0.017 0.000 0.895 328 D CB 0.150 40.948 40.800 -0.003 0.000 1.046 328 D HN 0.345 nan 8.370 nan 0.000 0.498 329 L N 2.990 124.174 121.223 -0.065 0.000 2.554 329 L HA 0.219 4.559 4.340 -0.000 0.000 0.226 329 L C 1.585 178.228 176.870 -0.378 0.000 1.137 329 L CA 0.335 55.072 54.840 -0.172 0.000 0.863 329 L CB -0.555 41.440 42.059 -0.107 0.000 0.985 329 L HN 0.644 nan 8.230 nan 0.000 0.451 330 G N 0.922 109.456 108.800 -0.444 0.000 2.615 330 G HA2 -0.205 3.754 3.960 -0.000 0.000 0.218 330 G HA3 -0.205 3.754 3.960 -0.000 0.000 0.218 330 G C -2.526 171.601 174.900 -1.288 0.000 1.339 330 G CA -0.403 44.152 45.100 -0.907 0.000 0.884 330 G HN 0.033 nan 8.290 nan 0.000 0.559 331 P HA 0.312 nan 4.420 nan 0.000 0.220 331 P C 0.761 177.717 177.300 -0.574 0.000 1.806 331 P CA -0.039 62.315 63.100 -1.242 0.000 0.976 331 P CB -0.930 30.051 31.700 -1.197 0.000 1.952 332 I N -2.729 117.540 120.570 -0.501 0.000 3.653 332 I HA 0.202 4.372 4.170 -0.000 0.000 0.268 332 I C 1.661 177.572 176.117 -0.343 0.000 1.287 332 I CA -0.918 60.107 61.300 -0.459 0.000 0.839 332 I CB -0.451 37.268 38.000 -0.469 0.000 1.644 332 I HN -0.114 nan 8.210 nan 0.000 0.767 333 Y N 1.271 121.346 120.300 -0.376 0.000 2.038 333 Y HA -0.289 4.261 4.550 0.000 0.000 0.266 333 Y C 2.662 178.116 175.900 -0.744 0.000 1.220 333 Y CA 2.370 60.123 58.100 -0.577 0.000 1.107 333 Y CB -1.610 36.229 38.460 -1.035 0.000 0.932 333 Y HN 0.744 nan 8.280 nan 0.000 0.500 334 G N -1.312 107.209 108.800 -0.466 0.000 2.422 334 G HA2 -0.289 3.670 3.960 -0.000 0.000 0.218 334 G HA3 -0.289 3.670 3.960 -0.000 0.000 0.218 334 G C 1.566 176.426 174.900 -0.067 0.000 1.146 334 G CA 0.818 45.700 45.100 -0.365 0.000 0.769 334 G HN 0.428 nan 8.290 nan 0.000 0.547 335 F N 1.175 121.014 119.950 -0.185 0.000 2.134 335 F HA -0.090 4.437 4.527 -0.001 0.000 0.299 335 F C 2.862 178.665 175.800 0.004 0.000 1.097 335 F CA 1.759 59.717 58.000 -0.069 0.000 1.264 335 F CB 0.116 38.987 39.000 -0.215 0.000 1.001 335 F HN 0.079 nan 8.300 nan 0.000 0.479 336 Q N -0.820 119.046 119.800 0.110 0.000 2.123 336 Q HA -0.170 4.170 4.340 -0.000 0.000 0.199 336 Q C 2.093 178.270 176.000 0.295 0.000 0.966 336 Q CA 1.334 57.235 55.803 0.163 0.000 0.845 336 Q CB -0.975 27.896 28.738 0.222 0.000 0.907 336 Q HN 0.517 nan 8.270 nan 0.000 0.439 337 W N 1.344 122.660 121.300 0.026 0.000 2.363 337 W HA -0.106 4.553 4.660 -0.001 0.000 0.296 337 W C 1.874 178.343 176.519 -0.084 0.000 1.212 337 W CA 0.848 58.206 57.345 0.022 0.000 1.260 337 W CB -0.144 29.369 29.460 0.089 0.000 1.131 337 W HN 0.151 nan 8.180 nan 0.000 0.530 338 R N -1.933 118.572 120.500 0.008 0.000 2.344 338 R HA 0.113 4.453 4.340 -0.000 0.000 0.209 338 R C 0.302 176.171 176.300 -0.719 0.000 0.886 338 R CA 0.628 56.517 56.100 -0.350 0.000 1.040 338 R CB -0.339 29.684 30.300 -0.462 0.000 1.114 338 R HN 0.298 nan 8.270 nan 0.000 0.547 339 H N -0.893 118.006 119.070 -0.284 0.000 2.885 339 H HA 0.148 4.704 4.556 -0.001 0.000 0.237 339 H C -0.665 174.387 175.328 -0.460 0.000 1.229 339 H CA -0.905 54.848 56.048 -0.492 0.000 0.947 339 H CB -0.222 28.969 29.762 -0.951 0.000 2.223 339 H HN -0.076 nan 8.280 nan 0.000 0.628 340 F N 2.382 122.195 119.950 -0.228 0.000 2.612 340 F HA 0.248 4.774 4.527 -0.001 0.000 0.389 340 F C 1.478 177.243 175.800 -0.059 0.000 1.055 340 F CA 2.102 60.036 58.000 -0.110 0.000 1.232 340 F CB 0.380 39.346 39.000 -0.055 0.000 1.044 340 F HN 0.558 nan 8.300 nan 0.000 0.560 341 G N 3.358 112.095 108.800 -0.105 0.000 2.194 341 G HA2 -0.113 3.847 3.960 -0.000 0.000 0.236 341 G HA3 -0.113 3.847 3.960 -0.000 0.000 0.236 341 G C 0.238 175.180 174.900 0.070 0.000 0.987 341 G CA -0.097 45.038 45.100 0.060 0.000 0.635 341 G HN 1.305 nan 8.290 nan 0.000 0.520 342 A N 0.308 123.161 122.820 0.056 0.000 2.407 342 A HA 0.570 4.890 4.320 -0.000 0.000 0.248 342 A C 0.533 178.274 177.584 0.262 0.000 1.082 342 A CA 0.593 52.716 52.037 0.144 0.000 0.785 342 A CB 0.328 19.371 19.000 0.073 0.000 1.020 342 A HN 0.589 nan 8.150 nan 0.000 0.489 343 E N 1.238 121.573 120.200 0.226 0.000 2.220 343 E HA 0.099 4.449 4.350 -0.000 0.000 0.272 343 E C -1.206 175.535 176.600 0.235 0.000 1.099 343 E CA -0.095 56.417 56.400 0.187 0.000 0.907 343 E CB 0.151 29.927 29.700 0.126 0.000 1.022 343 E HN 0.553 nan 8.360 nan 0.000 0.428 344 Y N 5.094 125.367 120.300 -0.046 0.000 2.442 344 Y HA 0.022 4.571 4.550 -0.001 0.000 0.330 344 Y C 0.292 176.170 175.900 -0.036 0.000 1.129 344 Y CA 0.403 58.358 58.100 -0.242 0.000 1.365 344 Y CB 0.493 38.569 38.460 -0.641 0.000 1.233 344 Y HN 0.579 nan 8.280 nan 0.000 0.529 345 L N 2.855 123.829 121.223 -0.414 0.000 2.738 345 L HA 0.289 4.629 4.340 -0.000 0.000 0.178 345 L C -0.312 176.286 176.870 -0.453 0.000 1.281 345 L CA 0.015 54.688 54.840 -0.280 0.000 0.864 345 L CB 0.008 41.968 42.059 -0.165 0.000 1.224 345 L HN 0.616 nan 8.230 nan 0.000 0.520 346 D N -1.542 118.517 120.400 -0.568 0.000 2.664 346 D HA 0.161 4.801 4.640 -0.000 0.000 0.292 346 D C 0.394 176.461 176.300 -0.388 0.000 1.214 346 D CA -0.669 53.073 54.000 -0.430 0.000 0.932 346 D CB 0.502 41.224 40.800 -0.130 0.000 1.420 346 D HN 0.237 nan 8.370 nan 0.000 0.471 347 M N -0.926 118.557 119.600 -0.195 0.000 2.557 347 M HA 0.055 4.535 4.480 -0.000 0.000 0.259 347 M C 0.098 176.285 176.300 -0.187 0.000 1.086 347 M CA 1.032 56.264 55.300 -0.114 0.000 1.096 347 M CB -0.367 32.147 32.600 -0.143 0.000 1.424 347 M HN 0.267 nan 8.290 nan 0.000 0.488 348 H N 0.723 119.780 119.070 -0.023 0.000 2.539 348 H HA 0.491 5.046 4.556 -0.000 0.000 0.269 348 H C 0.688 175.934 175.328 -0.138 0.000 0.980 348 H CA 0.282 56.300 56.048 -0.049 0.000 1.152 348 H CB -0.186 29.550 29.762 -0.044 0.000 1.407 348 H HN 0.500 nan 8.280 nan 0.000 0.564 349 A N 0.840 123.554 122.820 -0.176 0.000 2.287 349 A HA 0.173 4.493 4.320 -0.000 0.000 0.273 349 A C -0.012 177.208 177.584 -0.606 0.000 1.091 349 A CA -0.465 51.311 52.037 -0.435 0.000 0.817 349 A CB 0.596 19.203 19.000 -0.655 0.000 1.069 349 A HN 0.085 nan 8.150 nan 0.000 0.492 350 D N -0.031 120.042 120.400 -0.545 0.000 2.313 350 D HA 0.366 5.005 4.640 -0.000 0.000 0.239 350 D C -0.830 175.137 176.300 -0.554 0.000 1.142 350 D CA 0.205 53.964 54.000 -0.401 0.000 0.847 350 D CB 0.386 41.068 40.800 -0.196 0.000 1.082 350 D HN 0.397 nan 8.370 nan 0.000 0.480 351 Y N 1.117 121.329 120.300 -0.147 0.000 2.636 351 Y HA 0.137 4.687 4.550 -0.001 0.000 0.260 351 Y C 0.922 176.718 175.900 -0.172 0.000 1.177 351 Y CA -0.417 57.513 58.100 -0.284 0.000 1.209 351 Y CB 0.122 38.139 38.460 -0.737 0.000 1.166 351 Y HN 0.158 nan 8.280 nan 0.000 0.531 352 T N 1.054 115.643 114.554 0.058 0.000 2.822 352 T HA 0.269 4.618 4.350 -0.000 0.000 0.288 352 T C 1.331 176.102 174.700 0.118 0.000 0.991 352 T CA 1.294 63.470 62.100 0.127 0.000 1.176 352 T CB 0.021 68.930 68.868 0.069 0.000 0.951 352 T HN 0.754 nan 8.240 nan 0.000 0.526 353 G N 2.695 111.591 108.800 0.160 0.000 2.162 353 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.260 353 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.260 353 G C 0.055 175.028 174.900 0.122 0.000 0.976 353 G CA -0.215 44.953 45.100 0.114 0.000 0.655 353 G HN 0.592 nan 8.290 nan 0.000 0.533 354 K N 0.614 121.120 120.400 0.177 0.000 2.182 354 K HA 0.660 4.980 4.320 -0.000 0.000 0.262 354 K C 0.885 177.589 176.600 0.174 0.000 0.957 354 K CA 0.292 56.674 56.287 0.158 0.000 0.842 354 K CB 1.371 33.973 32.500 0.170 0.000 1.099 354 K HN 1.501 nan 8.250 nan 0.000 0.438 355 G N 1.884 110.750 108.800 0.111 0.000 2.796 355 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.226 355 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.226 355 G C -0.531 174.412 174.900 0.072 0.000 1.381 355 G CA -0.765 44.386 45.100 0.085 0.000 0.867 355 G HN 0.508 nan 8.290 nan 0.000 0.552 356 I N 0.653 121.266 120.570 0.072 0.000 2.321 356 I HA 0.252 4.422 4.170 -0.000 0.000 0.291 356 I C -0.100 176.002 176.117 -0.026 0.000 0.998 356 I CA -0.383 60.932 61.300 0.025 0.000 1.227 356 I CB 1.683 39.693 38.000 0.017 0.000 1.368 356 I HN 0.458 nan 8.210 nan 0.000 0.466 357 D N 6.350 126.713 120.400 -0.061 0.000 2.483 357 D HA 0.077 4.717 4.640 -0.000 0.000 0.220 357 D C 0.953 177.211 176.300 -0.070 0.000 1.173 357 D CA 0.151 54.094 54.000 -0.095 0.000 0.964 357 D CB 0.677 41.419 40.800 -0.096 0.000 1.046 357 D HN 0.523 nan 8.370 nan 0.000 0.517 358 Q N 1.597 121.356 119.800 -0.070 0.000 2.050 358 Q HA -0.166 4.174 4.340 -0.000 0.000 0.202 358 Q C 1.785 177.720 176.000 -0.107 0.000 0.980 358 Q CA 0.813 56.548 55.803 -0.114 0.000 0.840 358 Q CB 0.133 28.773 28.738 -0.164 0.000 0.898 358 Q HN 0.416 nan 8.270 nan 0.000 0.424 359 L N 0.970 122.154 121.223 -0.064 0.000 2.012 359 L HA -0.190 4.149 4.340 -0.000 0.000 0.210 359 L C 2.226 179.082 176.870 -0.023 0.000 1.073 359 L CA 2.256 57.078 54.840 -0.031 0.000 0.748 359 L CB -0.869 41.233 42.059 0.072 0.000 0.891 359 L HN 0.152 nan 8.230 nan 0.000 0.431 360 A N -1.076 121.732 122.820 -0.019 0.000 1.902 360 A HA -0.212 4.108 4.320 -0.000 0.000 0.217 360 A C 2.179 179.741 177.584 -0.037 0.000 1.181 360 A CA 1.771 53.795 52.037 -0.021 0.000 0.623 360 A CB -0.634 18.355 19.000 -0.019 0.000 0.818 360 A HN 0.617 nan 8.150 nan 0.000 0.443 361 E N -0.510 119.661 120.200 -0.049 0.000 2.077 361 E HA -0.152 4.198 4.350 -0.000 0.000 0.193 361 E C 1.863 178.428 176.600 -0.058 0.000 0.989 361 E CA 1.090 57.458 56.400 -0.054 0.000 0.800 361 E CB -0.201 29.460 29.700 -0.066 0.000 0.746 361 E HN 0.519 nan 8.360 nan 0.000 0.452 362 I N 0.968 121.498 120.570 -0.066 0.000 2.353 362 I HA -0.185 3.985 4.170 -0.000 0.000 0.248 362 I C 2.375 178.447 176.117 -0.075 0.000 1.119 362 I CA 0.984 62.250 61.300 -0.055 0.000 1.417 362 I CB -0.808 37.173 38.000 -0.031 0.000 1.078 362 I HN 0.119 nan 8.210 nan 0.000 0.421 363 I N 0.904 121.421 120.570 -0.088 0.000 2.226 363 I HA -0.336 3.834 4.170 -0.000 0.000 0.245 363 I C 2.268 178.337 176.117 -0.081 0.000 1.100 363 I CA 1.481 62.714 61.300 -0.112 0.000 1.374 363 I CB -0.388 37.564 38.000 -0.081 0.000 1.057 363 I HN 0.265 nan 8.210 nan 0.000 0.413 364 N N 0.752 119.418 118.700 -0.057 0.000 2.120 364 N HA -0.194 4.545 4.740 -0.000 0.000 0.188 364 N C 1.984 177.466 175.510 -0.046 0.000 1.024 364 N CA 1.214 54.236 53.050 -0.046 0.000 0.852 364 N CB -0.080 38.386 38.487 -0.036 0.000 1.003 364 N HN 0.106 nan 8.380 nan 0.000 0.424 365 R N 0.046 120.517 120.500 -0.047 0.000 2.092 365 R HA 0.030 4.370 4.340 -0.000 0.000 0.231 365 R C 2.003 178.276 176.300 -0.045 0.000 1.119 365 R CA 0.893 56.968 56.100 -0.041 0.000 0.970 365 R CB -0.210 30.068 30.300 -0.036 0.000 0.864 365 R HN 0.306 nan 8.270 nan 0.000 0.440 366 I N 0.942 121.475 120.570 -0.061 0.000 2.208 366 I HA -0.335 3.835 4.170 -0.000 0.000 0.245 366 I C 2.110 178.190 176.117 -0.062 0.000 1.097 366 I CA 1.593 62.850 61.300 -0.072 0.000 1.363 366 I CB -0.163 37.760 38.000 -0.128 0.000 1.051 366 I HN 0.170 nan 8.210 nan 0.000 0.413 367 K N 0.047 120.412 120.400 -0.059 0.000 2.057 367 K HA -0.146 4.173 4.320 -0.000 0.000 0.206 367 K C 2.116 178.694 176.600 -0.036 0.000 1.050 367 K CA 2.070 58.329 56.287 -0.045 0.000 0.935 367 K CB -0.289 32.187 32.500 -0.041 0.000 0.715 367 K HN 0.494 nan 8.250 nan 0.000 0.439 368 T N -2.169 112.365 114.554 -0.034 0.000 3.031 368 T HA 0.008 4.358 4.350 -0.000 0.000 0.254 368 T C 0.825 175.509 174.700 -0.027 0.000 1.060 368 T CA 0.458 62.542 62.100 -0.028 0.000 1.135 368 T CB 0.114 68.967 68.868 -0.025 0.000 0.896 368 T HN -0.043 nan 8.240 nan 0.000 0.472 369 N N 1.778 120.460 118.700 -0.030 0.000 2.697 369 N HA 0.316 5.055 4.740 -0.000 0.000 0.253 369 N C -2.305 173.184 175.510 -0.034 0.000 1.604 369 N CA -1.981 51.052 53.050 -0.028 0.000 0.772 369 N CB 1.448 39.922 38.487 -0.022 0.000 1.267 369 N HN 0.024 nan 8.380 nan 0.000 0.510 370 P HA -0.055 nan 4.420 nan 0.000 0.222 370 P C 0.199 177.454 177.300 -0.076 0.000 1.147 370 P CA 0.906 63.970 63.100 -0.060 0.000 0.790 370 P CB 0.440 32.098 31.700 -0.070 0.000 0.780 371 N N 0.234 118.896 118.700 -0.062 0.000 2.398 371 N HA -0.022 4.718 4.740 -0.000 0.000 0.188 371 N C 0.333 175.828 175.510 -0.025 0.000 1.122 371 N CA 0.242 53.255 53.050 -0.061 0.000 0.866 371 N CB -0.586 37.873 38.487 -0.046 0.000 0.970 371 N HN 0.311 nan 8.380 nan 0.000 0.462 372 D N 0.431 120.821 120.400 -0.016 0.000 2.449 372 D HA -0.014 4.626 4.640 -0.000 0.000 0.236 372 D C 0.526 176.842 176.300 0.026 0.000 1.149 372 D CA 0.267 54.268 54.000 0.002 0.000 0.878 372 D CB 0.753 41.551 40.800 -0.004 0.000 1.198 372 D HN 0.000 nan 8.370 nan 0.000 0.446 373 R N 2.193 122.716 120.500 0.038 0.000 2.633 373 R HA 0.235 4.575 4.340 -0.000 0.000 0.348 373 R C 0.075 176.409 176.300 0.057 0.000 1.100 373 R CA -0.177 55.964 56.100 0.068 0.000 1.068 373 R CB 0.464 30.807 30.300 0.072 0.000 1.351 373 R HN 0.230 nan 8.270 nan 0.000 0.575 374 R N 0.315 120.834 120.500 0.032 0.000 2.690 374 R HA 0.239 4.578 4.340 -0.000 0.000 0.419 374 R C -0.406 175.881 176.300 -0.021 0.000 1.090 374 R CA -0.089 56.014 56.100 0.005 0.000 1.064 374 R CB 0.493 30.784 30.300 -0.014 0.000 1.391 374 R HN 0.023 nan 8.270 nan 0.000 0.586 375 L N 1.522 122.756 121.223 0.019 0.000 2.437 375 L HA 0.352 4.691 4.340 -0.000 0.000 0.243 375 L C -0.327 176.524 176.870 -0.032 0.000 1.346 375 L CA 0.248 55.113 54.840 0.041 0.000 1.233 375 L CB -0.286 41.867 42.059 0.156 0.000 1.436 375 L HN 0.157 nan 8.230 nan 0.000 0.416 376 I N 0.516 120.970 120.570 -0.193 0.000 2.474 376 I HA 0.391 4.561 4.170 -0.000 0.000 0.294 376 I C -0.457 175.299 176.117 -0.602 0.000 1.005 376 I CA -0.789 60.237 61.300 -0.457 0.000 1.113 376 I CB 2.621 40.338 38.000 -0.472 0.000 1.289 376 I HN -0.118 nan 8.210 nan 0.000 0.436 377 V N 5.252 124.576 119.914 -0.984 0.000 2.409 377 V HA 0.309 4.429 4.120 -0.000 0.000 0.291 377 V C -0.622 174.954 176.094 -0.863 0.000 1.020 377 V CA -0.556 61.144 62.300 -0.999 0.000 0.848 377 V CB 1.668 32.596 31.823 -1.492 0.000 0.990 377 V HN 0.853 nan 8.190 nan 0.000 0.430 378 C N 3.925 122.956 119.300 -0.448 0.000 2.319 378 C HA 0.586 5.045 4.460 -0.000 0.000 0.323 378 C C 1.360 176.486 174.990 0.227 0.000 1.277 378 C CA -0.095 58.829 59.018 -0.157 0.000 1.517 378 C CB 1.185 28.848 27.740 -0.128 0.000 2.206 378 C HN 0.936 nan 8.230 nan 0.000 0.486 379 S N 3.588 119.511 115.700 0.372 0.000 2.540 379 S HA 0.116 4.586 4.470 -0.000 0.000 0.218 379 S C 0.472 175.263 174.600 0.318 0.000 0.977 379 S CA -0.331 58.100 58.200 0.384 0.000 0.918 379 S CB 0.041 63.477 63.200 0.393 0.000 0.806 379 S HN 0.893 nan 8.310 nan 0.000 0.496 380 W N 4.478 125.912 121.300 0.223 0.000 1.438 380 W HA 0.249 4.908 4.660 -0.001 0.000 0.455 380 W C -0.247 176.386 176.519 0.190 0.000 0.656 380 W CA -0.512 56.934 57.345 0.168 0.000 2.049 380 W CB -0.524 29.038 29.460 0.170 0.000 1.683 380 W HN 0.111 nan 8.180 nan 0.000 0.228 381 N N 2.247 120.900 118.700 -0.078 0.000 2.448 381 N HA -0.011 4.729 4.740 -0.000 0.000 0.250 381 N C 0.920 176.256 175.510 -0.290 0.000 1.136 381 N CA 0.163 53.117 53.050 -0.160 0.000 0.953 381 N CB 0.997 39.151 38.487 -0.555 0.000 1.251 381 N HN 0.066 nan 8.380 nan 0.000 0.502 382 V N 2.687 122.513 119.914 -0.146 0.000 2.453 382 V HA -0.226 3.894 4.120 -0.000 0.000 0.252 382 V C 2.038 178.039 176.094 -0.155 0.000 1.068 382 V CA 1.706 63.904 62.300 -0.170 0.000 1.070 382 V CB -0.497 31.346 31.823 0.033 0.000 0.664 382 V HN 0.594 nan 8.190 nan 0.000 0.461 383 S N -0.460 115.167 115.700 -0.122 0.000 2.447 383 S HA -0.141 4.329 4.470 -0.000 0.000 0.233 383 S C 1.476 175.989 174.600 -0.144 0.000 1.006 383 S CA 1.233 59.370 58.200 -0.104 0.000 0.957 383 S CB -0.209 62.947 63.200 -0.073 0.000 0.773 383 S HN 0.616 nan 8.310 nan 0.000 0.507 384 D N 0.507 120.774 120.400 -0.222 0.000 2.379 384 D HA 0.253 4.893 4.640 -0.000 0.000 0.208 384 D C 1.588 177.731 176.300 -0.263 0.000 1.065 384 D CA -0.011 53.845 54.000 -0.239 0.000 0.848 384 D CB -0.019 40.604 40.800 -0.294 0.000 0.949 384 D HN 0.260 nan 8.370 nan 0.000 0.509 385 L N 0.651 121.694 121.223 -0.300 0.000 2.043 385 L HA -0.183 4.156 4.340 -0.000 0.000 0.212 385 L C 2.203 178.974 176.870 -0.166 0.000 1.075 385 L CA 1.223 55.864 54.840 -0.333 0.000 0.752 385 L CB -0.286 41.528 42.059 -0.409 0.000 0.891 385 L HN -0.046 nan 8.230 nan 0.000 0.432 386 K N 0.222 120.562 120.400 -0.100 0.000 2.281 386 K HA -0.186 4.133 4.320 -0.000 0.000 0.203 386 K C 1.786 178.454 176.600 0.115 0.000 1.046 386 K CA 1.187 57.469 56.287 -0.008 0.000 0.938 386 K CB -0.040 32.441 32.500 -0.032 0.000 0.737 386 K HN 0.362 nan 8.250 nan 0.000 0.458 387 K N -0.258 120.154 120.400 0.021 0.000 2.393 387 K HA 0.148 4.468 4.320 -0.000 0.000 0.193 387 K C 0.530 177.004 176.600 -0.209 0.000 1.026 387 K CA 0.082 56.389 56.287 0.034 0.000 1.064 387 K CB 0.334 32.759 32.500 -0.125 0.000 0.833 387 K HN 0.042 nan 8.250 nan 0.000 0.521 388 M N 0.214 119.688 119.600 -0.210 0.000 2.249 388 M HA 0.206 4.685 4.480 -0.000 0.000 0.351 388 M C 1.145 177.274 176.300 -0.285 0.000 1.180 388 M CA -0.324 54.770 55.300 -0.343 0.000 1.127 388 M CB 1.485 33.900 32.600 -0.309 0.000 1.546 388 M HN 0.039 nan 8.290 nan 0.000 0.461 389 A N 3.007 125.616 122.820 -0.352 0.000 1.972 389 A HA 0.064 4.384 4.320 -0.000 0.000 0.219 389 A C 0.493 178.223 177.584 0.243 0.000 1.169 389 A CA 1.377 53.365 52.037 -0.081 0.000 0.635 389 A CB 0.041 19.044 19.000 0.006 0.000 0.810 389 A HN 0.642 nan 8.150 nan 0.000 0.446 390 L N -0.943 120.337 121.223 0.095 0.000 2.526 390 L HA 0.516 4.856 4.340 -0.000 0.000 0.263 390 L C -2.895 173.990 176.870 0.025 0.000 0.943 390 L CA -1.913 53.031 54.840 0.173 0.000 0.859 390 L CB 2.108 44.339 42.059 0.286 0.000 1.313 390 L HN -0.144 nan 8.230 nan 0.000 0.406 391 P HA 0.308 nan 4.420 nan 0.000 0.272 391 P C -2.711 174.626 177.300 0.062 0.000 1.223 391 P CA -1.139 61.938 63.100 -0.037 0.000 0.784 391 P CB -0.325 31.401 31.700 0.044 0.000 0.923 392 P HA 0.057 nan 4.420 nan 0.000 0.271 392 P C 0.283 177.789 177.300 0.343 0.000 1.216 392 P CA 0.032 63.045 63.100 -0.145 0.000 0.771 392 P CB 0.456 31.950 31.700 -0.342 0.000 0.864 393 C N 1.614 121.188 119.300 0.457 0.000 2.500 393 C HA -0.055 4.404 4.460 -0.000 0.000 0.279 393 C C 1.354 176.651 174.990 0.511 0.000 1.288 393 C CA 0.707 60.017 59.018 0.488 0.000 1.710 393 C CB -1.874 26.195 27.740 0.549 0.000 2.052 393 C HN 0.693 nan 8.230 nan 0.000 0.488 394 H N -1.074 118.347 119.070 0.586 0.000 2.908 394 H HA 0.387 4.943 4.556 -0.000 0.000 0.269 394 H C 0.635 176.327 175.328 0.607 0.000 1.303 394 H CA -0.569 55.781 56.048 0.503 0.000 1.341 394 H CB -0.267 29.754 29.762 0.431 0.000 1.519 394 H HN 0.257 nan 8.280 nan 0.000 0.505 395 C N 2.547 122.180 119.300 0.556 0.000 2.457 395 C HA 0.110 4.570 4.460 -0.000 0.000 0.278 395 C C 0.432 175.779 174.990 0.595 0.000 1.309 395 C CA 0.001 59.344 59.018 0.542 0.000 1.735 395 C CB -0.958 27.005 27.740 0.372 0.000 1.992 395 C HN 0.798 nan 8.230 nan 0.000 0.493 396 F N 0.671 120.832 119.950 0.351 0.000 2.650 396 F HA 0.614 5.140 4.527 -0.001 0.000 0.310 396 F C -1.452 174.499 175.800 0.252 0.000 1.112 396 F CA -1.765 56.359 58.000 0.206 0.000 0.986 396 F CB 1.112 40.164 39.000 0.086 0.000 1.285 396 F HN 0.173 nan 8.300 nan 0.000 0.440 397 F N 2.727 122.595 119.950 -0.135 0.000 2.631 397 F HA 0.708 5.235 4.527 -0.000 0.000 0.308 397 F C -1.708 173.886 175.800 -0.343 0.000 1.097 397 F CA -0.836 57.069 58.000 -0.158 0.000 0.952 397 F CB 1.842 40.718 39.000 -0.207 0.000 1.307 397 F HN 0.636 nan 8.300 nan 0.000 0.450 398 Q N 2.314 122.034 119.800 -0.134 0.000 2.289 398 Q HA 0.533 4.873 4.340 -0.000 0.000 0.270 398 Q C -2.167 173.726 176.000 -0.179 0.000 1.038 398 Q CA -0.594 55.111 55.803 -0.163 0.000 0.812 398 Q CB 2.090 30.860 28.738 0.052 0.000 1.300 398 Q HN 0.704 nan 8.270 nan 0.000 0.427 399 F N 2.154 122.187 119.950 0.138 0.000 2.380 399 F HA 0.558 5.085 4.527 -0.000 0.000 0.321 399 F C -0.465 175.467 175.800 0.220 0.000 1.103 399 F CA -0.332 57.774 58.000 0.176 0.000 1.067 399 F CB 1.011 40.083 39.000 0.119 0.000 1.265 399 F HN 0.517 nan 8.300 nan 0.000 0.517 400 Y N 0.175 120.646 120.300 0.285 0.000 2.482 400 Y HA 0.638 5.188 4.550 -0.001 0.000 0.334 400 Y C -1.954 174.031 175.900 0.141 0.000 1.091 400 Y CA -1.124 57.074 58.100 0.164 0.000 1.027 400 Y CB 1.523 40.057 38.460 0.123 0.000 1.306 400 Y HN 0.322 nan 8.280 nan 0.000 0.446 401 V N 5.443 125.064 119.914 -0.489 0.000 2.444 401 V HA 0.743 4.863 4.120 -0.000 0.000 0.294 401 V C -0.846 174.943 176.094 -0.508 0.000 1.022 401 V CA -0.187 61.922 62.300 -0.318 0.000 0.850 401 V CB 1.353 33.072 31.823 -0.174 0.000 0.992 401 V HN 0.807 nan 8.190 nan 0.000 0.426 402 S N 2.095 117.666 115.700 -0.215 0.000 2.541 402 S HA 0.577 5.047 4.470 -0.000 0.000 0.271 402 S C -0.625 173.980 174.600 0.009 0.000 1.133 402 S CA -0.607 57.532 58.200 -0.102 0.000 0.876 402 S CB 2.068 65.264 63.200 -0.008 0.000 1.105 402 S HN 0.717 nan 8.310 nan 0.000 0.470 403 D N 1.524 121.929 120.400 0.008 0.000 2.708 403 D HA -0.201 4.438 4.640 -0.000 0.000 0.236 403 D C 0.408 176.721 176.300 0.020 0.000 1.146 403 D CA 1.838 55.852 54.000 0.023 0.000 0.662 403 D CB -1.666 39.161 40.800 0.046 0.000 1.059 403 D HN 1.063 nan 8.370 nan 0.000 0.428 404 N N -1.014 117.688 118.700 0.002 0.000 2.741 404 N HA -0.257 4.483 4.740 -0.000 0.000 0.250 404 N C -1.148 174.373 175.510 0.020 0.000 1.115 404 N CA 1.591 54.644 53.050 0.004 0.000 0.724 404 N CB -0.386 38.106 38.487 0.009 0.000 1.090 404 N HN 0.520 nan 8.380 nan 0.000 0.558 405 K N -0.051 120.368 120.400 0.032 0.000 2.378 405 K HA 0.498 4.818 4.320 -0.000 0.000 0.252 405 K C -1.032 175.616 176.600 0.081 0.000 0.931 405 K CA -1.024 55.300 56.287 0.061 0.000 0.794 405 K CB 1.936 34.487 32.500 0.085 0.000 1.181 405 K HN 0.074 nan 8.250 nan 0.000 0.425 406 L N 1.778 123.060 121.223 0.099 0.000 2.275 406 L HA 0.357 4.697 4.340 -0.000 0.000 0.288 406 L C -0.742 176.272 176.870 0.240 0.000 1.046 406 L CA 0.424 55.353 54.840 0.149 0.000 0.805 406 L CB 1.405 43.521 42.059 0.095 0.000 1.193 406 L HN 0.556 nan 8.230 nan 0.000 0.426 407 S N 3.125 119.027 115.700 0.336 0.000 2.704 407 S HA 0.728 5.197 4.470 -0.000 0.000 0.305 407 S C -1.256 173.596 174.600 0.421 0.000 1.107 407 S CA -0.618 57.791 58.200 0.348 0.000 0.993 407 S CB 1.719 65.103 63.200 0.308 0.000 1.110 407 S HN 0.828 nan 8.310 nan 0.000 0.534 408 C N 2.376 121.874 119.300 0.330 0.000 2.782 408 C HA 0.744 5.204 4.460 -0.000 0.000 0.328 408 C C -1.000 174.101 174.990 0.185 0.000 1.145 408 C CA -0.639 58.506 59.018 0.212 0.000 1.358 408 C CB 0.628 28.489 27.740 0.201 0.000 1.841 408 C HN 0.987 nan 8.230 nan 0.000 0.477 409 M N 7.525 127.172 119.600 0.078 0.000 2.383 409 M HA 0.673 5.153 4.480 -0.000 0.000 0.325 409 M C -1.218 175.138 176.300 0.094 0.000 1.092 409 M CA -0.375 54.947 55.300 0.035 0.000 0.961 409 M CB 1.681 34.290 32.600 0.015 0.000 1.672 409 M HN 0.836 nan 8.290 nan 0.000 0.438 410 M N 4.240 123.876 119.600 0.060 0.000 2.393 410 M HA 0.324 4.803 4.480 -0.000 0.000 0.299 410 M C -2.046 174.331 176.300 0.129 0.000 1.103 410 M CA -0.327 55.017 55.300 0.072 0.000 0.910 410 M CB 1.839 34.280 32.600 -0.266 0.000 1.659 410 M HN 0.974 nan 8.290 nan 0.000 0.445 411 H N 2.988 122.147 119.070 0.147 0.000 2.594 411 H HA 0.370 4.926 4.556 -0.000 0.000 0.304 411 H C -1.075 174.356 175.328 0.173 0.000 1.068 411 H CA -0.020 56.096 56.048 0.112 0.000 1.308 411 H CB 0.922 30.702 29.762 0.029 0.000 1.409 411 H HN 0.691 nan 8.280 nan 0.000 0.460 412 Q N 5.213 125.008 119.800 -0.010 0.000 2.372 412 Q HA 0.154 4.494 4.340 -0.000 0.000 0.259 412 Q C 0.947 176.980 176.000 0.055 0.000 0.993 412 Q CA -0.817 55.090 55.803 0.173 0.000 0.854 412 Q CB 0.722 29.646 28.738 0.310 0.000 1.231 412 Q HN 0.928 nan 8.270 nan 0.000 0.462 413 R N 1.347 121.982 120.500 0.224 0.000 2.148 413 R HA 0.060 4.399 4.340 -0.000 0.000 0.227 413 R C 0.271 176.697 176.300 0.209 0.000 1.103 413 R CA 0.709 56.932 56.100 0.205 0.000 0.983 413 R CB 0.259 30.648 30.300 0.148 0.000 0.874 413 R HN 0.282 nan 8.270 nan 0.000 0.451 414 S N -0.338 115.511 115.700 0.248 0.000 2.649 414 S HA 0.419 4.889 4.470 -0.000 0.000 0.274 414 S C -1.596 173.157 174.600 0.254 0.000 1.176 414 S CA -0.911 57.477 58.200 0.313 0.000 0.988 414 S CB 1.513 64.934 63.200 0.369 0.000 1.071 414 S HN 0.336 nan 8.310 nan 0.000 0.478 415 C N 3.973 123.301 119.300 0.047 0.000 2.534 415 C HA 0.452 4.912 4.460 -0.000 0.000 0.309 415 C C -0.234 174.453 174.990 -0.506 0.000 1.072 415 C CA -1.226 57.730 59.018 -0.102 0.000 1.441 415 C CB -0.007 27.690 27.740 -0.071 0.000 1.906 415 C HN 0.872 nan 8.230 nan 0.000 0.429 416 D N 2.316 122.601 120.400 -0.190 0.000 2.383 416 D HA 0.135 4.775 4.640 -0.000 0.000 0.245 416 D C 0.976 177.300 176.300 0.040 0.000 1.263 416 D CA 0.013 53.997 54.000 -0.027 0.000 0.936 416 D CB 0.554 41.556 40.800 0.336 0.000 1.053 416 D HN 0.563 nan 8.370 nan 0.000 0.507 417 L N 2.971 124.183 121.223 -0.018 0.000 2.131 417 L HA -0.038 4.302 4.340 -0.000 0.000 0.210 417 L C 2.421 179.402 176.870 0.185 0.000 1.092 417 L CA 1.228 56.111 54.840 0.071 0.000 0.759 417 L CB -0.125 41.892 42.059 -0.069 0.000 0.903 417 L HN 0.470 nan 8.230 nan 0.000 0.435 418 G N -0.526 108.382 108.800 0.181 0.000 2.403 418 G HA2 -0.150 3.809 3.960 -0.000 0.000 0.216 418 G HA3 -0.150 3.809 3.960 -0.000 0.000 0.216 418 G C 1.411 176.322 174.900 0.019 0.000 1.154 418 G CA 0.554 45.717 45.100 0.104 0.000 0.784 418 G HN 0.173 nan 8.290 nan 0.000 0.538 419 L N -0.297 120.956 121.223 0.051 0.000 2.670 419 L HA 0.481 4.820 4.340 -0.000 0.000 0.177 419 L C 2.728 179.524 176.870 -0.122 0.000 1.181 419 L CA 1.630 56.428 54.840 -0.070 0.000 0.856 419 L CB -0.701 41.337 42.059 -0.035 0.000 1.205 419 L HN 0.109 nan 8.230 nan 0.000 0.506 420 G N -0.807 107.968 108.800 -0.042 0.000 2.394 420 G HA2 -0.123 3.836 3.960 -0.000 0.000 0.215 420 G HA3 -0.123 3.836 3.960 -0.000 0.000 0.215 420 G C 1.452 176.407 174.900 0.092 0.000 1.165 420 G CA 1.030 46.111 45.100 -0.031 0.000 0.784 420 G HN 0.247 nan 8.290 nan 0.000 0.535 421 V N 1.995 121.987 119.914 0.131 0.000 2.343 421 V HA -0.102 4.017 4.120 -0.000 0.000 0.247 421 V C 0.280 176.451 176.094 0.128 0.000 1.051 421 V CA 2.141 64.553 62.300 0.187 0.000 1.036 421 V CB -0.924 31.019 31.823 0.201 0.000 0.654 421 V HN 0.285 nan 8.190 nan 0.000 0.451 422 P HA -0.137 nan 4.420 nan 0.000 0.218 422 P C 1.521 178.847 177.300 0.043 0.000 1.148 422 P CA 1.444 64.496 63.100 -0.080 0.000 0.822 422 P CB -0.090 31.564 31.700 -0.076 0.000 0.784 423 F N -0.120 119.760 119.950 -0.115 0.000 2.146 423 F HA -0.107 4.420 4.527 -0.000 0.000 0.298 423 F C 1.949 177.680 175.800 -0.115 0.000 1.096 423 F CA 1.294 59.223 58.000 -0.117 0.000 1.275 423 F CB -1.673 37.276 39.000 -0.085 0.000 1.008 423 F HN -0.048 nan 8.300 nan 0.000 0.480 424 N N 0.261 119.056 118.700 0.160 0.000 2.166 424 N HA -0.154 4.586 4.740 -0.000 0.000 0.186 424 N C 1.893 177.384 175.510 -0.032 0.000 1.019 424 N CA 1.326 54.426 53.050 0.085 0.000 0.856 424 N CB -0.236 38.365 38.487 0.189 0.000 0.993 424 N HN 0.177 nan 8.380 nan 0.000 0.426 425 I N 1.021 121.580 120.570 -0.020 0.000 2.142 425 I HA -0.248 3.922 4.170 -0.000 0.000 0.240 425 I C 2.480 178.319 176.117 -0.463 0.000 1.078 425 I CA 0.994 62.204 61.300 -0.150 0.000 1.343 425 I CB -0.388 37.478 38.000 -0.224 0.000 1.046 425 I HN 0.171 nan 8.210 nan 0.000 0.405 426 A N -0.297 122.240 122.820 -0.472 0.000 1.902 426 A HA -0.234 4.085 4.320 -0.000 0.000 0.217 426 A C 2.484 179.873 177.584 -0.326 0.000 1.181 426 A CA 2.183 53.890 52.037 -0.550 0.000 0.623 426 A CB -0.829 17.889 19.000 -0.469 0.000 0.818 426 A HN 0.406 nan 8.150 nan 0.000 0.443 427 S N -1.569 113.951 115.700 -0.301 0.000 2.353 427 S HA -0.195 4.275 4.470 -0.000 0.000 0.222 427 S C 1.905 176.207 174.600 -0.497 0.000 1.035 427 S CA 1.734 59.742 58.200 -0.320 0.000 1.025 427 S CB -0.543 62.499 63.200 -0.264 0.000 0.902 427 S HN 0.608 nan 8.310 nan 0.000 0.440 428 Y N 1.759 121.710 120.300 -0.581 0.000 2.352 428 Y HA 0.036 4.586 4.550 -0.001 0.000 0.292 428 Y C 2.946 178.417 175.900 -0.715 0.000 1.136 428 Y CA 1.123 58.757 58.100 -0.777 0.000 1.227 428 Y CB -0.417 37.307 38.460 -1.226 0.000 0.991 428 Y HN 0.254 nan 8.280 nan 0.000 0.545 429 S N 0.148 115.504 115.700 -0.573 0.000 2.368 429 S HA -0.174 4.296 4.470 -0.000 0.000 0.225 429 S C 2.039 176.596 174.600 -0.072 0.000 1.030 429 S CA 1.452 59.486 58.200 -0.277 0.000 0.999 429 S CB -0.451 62.554 63.200 -0.326 0.000 0.844 429 S HN 0.375 nan 8.310 nan 0.000 0.459 430 I N 1.012 121.544 120.570 -0.063 0.000 2.179 430 I HA -0.180 3.989 4.170 -0.000 0.000 0.242 430 I C 2.333 178.325 176.117 -0.209 0.000 1.088 430 I CA 0.820 62.029 61.300 -0.151 0.000 1.357 430 I CB -0.373 37.503 38.000 -0.207 0.000 1.051 430 I HN 0.225 nan 8.210 nan 0.000 0.409 431 L N 0.551 121.639 121.223 -0.225 0.000 2.013 431 L HA -0.238 4.102 4.340 -0.000 0.000 0.212 431 L C 2.502 179.347 176.870 -0.042 0.000 1.073 431 L CA 2.210 56.951 54.840 -0.165 0.000 0.753 431 L CB -0.902 41.002 42.059 -0.259 0.000 0.890 431 L HN 0.200 nan 8.230 nan 0.000 0.432 432 T N -0.242 114.325 114.554 0.022 0.000 2.746 432 T HA -0.153 4.197 4.350 -0.000 0.000 0.267 432 T C 1.915 176.639 174.700 0.040 0.000 1.039 432 T CA 1.316 63.512 62.100 0.160 0.000 1.142 432 T CB -0.606 68.395 68.868 0.221 0.000 0.866 432 T HN 0.535 nan 8.240 nan 0.000 0.444 433 A N 1.422 124.228 122.820 -0.025 0.000 1.902 433 A HA -0.081 4.239 4.320 -0.000 0.000 0.217 433 A C 2.350 179.875 177.584 -0.098 0.000 1.181 433 A CA 1.627 53.629 52.037 -0.058 0.000 0.623 433 A CB -0.725 18.213 19.000 -0.102 0.000 0.818 433 A HN 0.459 nan 8.150 nan 0.000 0.443 434 M N -0.812 118.671 119.600 -0.196 0.000 2.086 434 M HA -0.143 4.336 4.480 -0.000 0.000 0.261 434 M C 2.096 178.391 176.300 -0.008 0.000 1.067 434 M CA 1.547 56.705 55.300 -0.237 0.000 1.116 434 M CB -0.445 31.881 32.600 -0.457 0.000 1.348 434 M HN 0.251 nan 8.290 nan 0.000 0.407 435 V N 0.224 120.102 119.914 -0.061 0.000 2.427 435 V HA -0.232 3.888 4.120 -0.000 0.000 0.248 435 V C 2.608 178.639 176.094 -0.104 0.000 1.051 435 V CA 1.890 64.115 62.300 -0.125 0.000 1.048 435 V CB -1.261 30.346 31.823 -0.360 0.000 0.666 435 V HN 0.517 nan 8.190 nan 0.000 0.456 436 A N -0.397 122.383 122.820 -0.067 0.000 1.877 436 A HA -0.328 3.992 4.320 -0.000 0.000 0.216 436 A C 2.266 179.849 177.584 -0.002 0.000 1.186 436 A CA 2.256 54.274 52.037 -0.031 0.000 0.620 436 A CB -0.579 18.424 19.000 0.005 0.000 0.822 436 A HN 0.615 nan 8.150 nan 0.000 0.443 437 Q N 0.141 119.960 119.800 0.030 0.000 2.030 437 Q HA -0.161 4.178 4.340 -0.000 0.000 0.204 437 Q C 1.950 177.983 176.000 0.054 0.000 0.986 437 Q CA 2.870 58.712 55.803 0.065 0.000 0.843 437 Q CB -0.436 28.388 28.738 0.144 0.000 0.904 437 Q HN 0.701 nan 8.270 nan 0.000 0.420 438 V N -1.735 118.222 119.914 0.071 0.000 2.913 438 V HA -0.125 3.995 4.120 -0.000 0.000 0.260 438 V C 1.750 177.839 176.094 -0.010 0.000 1.098 438 V CA 1.458 63.776 62.300 0.029 0.000 1.121 438 V CB -0.643 31.205 31.823 0.041 0.000 0.714 438 V HN 0.510 nan 8.190 nan 0.000 0.487 439 C N 1.381 120.666 119.300 -0.025 0.000 2.791 439 C HA 0.642 5.102 4.460 -0.000 0.000 0.270 439 C C 1.989 176.963 174.990 -0.026 0.000 1.257 439 C CA 0.117 59.110 59.018 -0.041 0.000 1.699 439 C CB -1.166 26.530 27.740 -0.074 0.000 1.904 439 C HN 1.014 nan 8.230 nan 0.000 0.603 440 G N 1.209 110.002 108.800 -0.012 0.000 2.176 440 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.252 440 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.252 440 G C -0.182 174.716 174.900 -0.004 0.000 1.024 440 G CA 0.142 45.239 45.100 -0.005 0.000 0.755 440 G HN 0.540 nan 8.290 nan 0.000 0.507 441 L N -0.374 120.846 121.223 -0.004 0.000 2.334 441 L HA 0.787 5.127 4.340 -0.000 0.000 0.270 441 L C 1.410 178.289 176.870 0.016 0.000 1.018 441 L CA -0.698 54.143 54.840 0.001 0.000 0.811 441 L CB 1.402 43.457 42.059 -0.007 0.000 1.271 441 L HN 0.192 nan 8.230 nan 0.000 0.443 442 G N 0.591 109.406 108.800 0.025 0.000 2.588 442 G HA2 0.498 4.457 3.960 -0.000 0.000 0.278 442 G HA3 0.498 4.457 3.960 -0.000 0.000 0.278 442 G C -0.635 174.296 174.900 0.051 0.000 1.307 442 G CA -0.666 44.456 45.100 0.037 0.000 1.016 442 G HN 0.376 nan 8.290 nan 0.000 0.503 443 L N 0.644 121.903 121.223 0.061 0.000 2.296 443 L HA 0.517 4.857 4.340 -0.000 0.000 0.286 443 L C 1.121 178.051 176.870 0.100 0.000 1.023 443 L CA -0.577 54.312 54.840 0.081 0.000 0.812 443 L CB 1.594 43.697 42.059 0.072 0.000 1.223 443 L HN 0.719 nan 8.230 nan 0.000 0.421 444 G N 2.640 111.519 108.800 0.131 0.000 3.434 444 G HA2 0.365 4.325 3.960 -0.000 0.000 0.192 444 G HA3 0.365 4.325 3.960 -0.000 0.000 0.192 444 G C -0.464 174.529 174.900 0.155 0.000 1.704 444 G CA -0.190 44.997 45.100 0.145 0.000 0.936 444 G HN 0.563 nan 8.290 nan 0.000 0.623 445 E N -0.943 119.362 120.200 0.174 0.000 2.256 445 E HA 0.453 4.803 4.350 -0.000 0.000 0.267 445 E C -1.821 174.929 176.600 0.250 0.000 0.892 445 E CA -0.711 55.794 56.400 0.174 0.000 0.775 445 E CB 2.832 32.587 29.700 0.093 0.000 1.207 445 E HN 0.191 nan 8.360 nan 0.000 0.420 446 F N 2.613 122.654 119.950 0.152 0.000 2.404 446 F HA 0.401 4.928 4.527 -0.001 0.000 0.354 446 F C -1.222 174.684 175.800 0.176 0.000 1.122 446 F CA -0.892 57.200 58.000 0.154 0.000 1.080 446 F CB 0.823 39.909 39.000 0.143 0.000 1.131 446 F HN 0.117 nan 8.300 nan 0.000 0.471 447 V N 6.807 126.409 119.914 -0.520 0.000 2.384 447 V HA 0.251 4.370 4.120 -0.000 0.000 0.287 447 V C -0.759 174.892 176.094 -0.738 0.000 1.020 447 V CA -0.680 61.326 62.300 -0.491 0.000 0.850 447 V CB 1.228 32.923 31.823 -0.214 0.000 0.987 447 V HN 0.826 nan 8.190 nan 0.000 0.436 448 H N 5.040 123.668 119.070 -0.736 0.000 2.595 448 H HA 0.444 5.000 4.556 -0.001 0.000 0.313 448 H C -0.524 174.670 175.328 -0.224 0.000 1.023 448 H CA -0.867 54.884 56.048 -0.495 0.000 1.218 448 H CB 0.753 30.343 29.762 -0.285 0.000 1.403 448 H HN 0.634 nan 8.280 nan 0.000 0.477 449 N N 6.063 124.791 118.700 0.046 0.000 2.426 449 N HA 0.196 4.936 4.740 -0.000 0.000 0.275 449 N C -0.771 174.654 175.510 -0.141 0.000 1.019 449 N CA -0.387 52.606 53.050 -0.095 0.000 0.941 449 N CB 1.804 40.202 38.487 -0.149 0.000 1.123 449 N HN 0.524 nan 8.380 nan 0.000 0.486 450 L N 1.511 122.622 121.223 -0.188 0.000 2.282 450 L HA 0.549 4.889 4.340 -0.000 0.000 0.288 450 L C 1.147 177.864 176.870 -0.255 0.000 1.033 450 L CA -0.577 54.162 54.840 -0.170 0.000 0.807 450 L CB 1.418 43.427 42.059 -0.084 0.000 1.209 450 L HN 0.515 nan 8.230 nan 0.000 0.423 451 A N 2.595 125.257 122.820 -0.263 0.000 2.901 451 A HA 0.031 4.351 4.320 -0.000 0.000 0.212 451 A C 0.509 178.114 177.584 0.035 0.000 2.026 451 A CA 0.169 52.018 52.037 -0.313 0.000 0.806 451 A CB -0.143 18.808 19.000 -0.081 0.000 1.353 451 A HN 0.690 nan 8.150 nan 0.000 0.496 452 D N 1.120 121.693 120.400 0.288 0.000 2.383 452 D HA 0.451 5.091 4.640 -0.000 0.000 0.245 452 D C -0.456 176.010 176.300 0.276 0.000 1.263 452 D CA 0.291 54.514 54.000 0.371 0.000 0.936 452 D CB 0.347 41.355 40.800 0.347 0.000 1.053 452 D HN 0.432 nan 8.370 nan 0.000 0.507 453 A N 5.351 128.301 122.820 0.217 0.000 2.276 453 A HA 0.574 4.894 4.320 -0.000 0.000 0.316 453 A C -0.354 177.264 177.584 0.057 0.000 1.229 453 A CA -0.580 51.485 52.037 0.047 0.000 0.851 453 A CB 0.689 19.744 19.000 0.092 0.000 1.165 453 A HN 0.761 nan 8.150 nan 0.000 0.513 454 H N 0.155 119.230 119.070 0.009 0.000 3.016 454 H HA 0.665 5.221 4.556 -0.000 0.000 0.362 454 H C -1.943 173.333 175.328 -0.086 0.000 1.233 454 H CA -1.082 54.928 56.048 -0.062 0.000 1.124 454 H CB 1.334 30.994 29.762 -0.169 0.000 1.850 454 H HN 0.426 nan 8.280 nan 0.000 0.549 455 I N 2.445 123.058 120.570 0.072 0.000 2.439 455 I HA 0.160 4.330 4.170 -0.000 0.000 0.285 455 I C -0.789 175.360 176.117 0.054 0.000 1.021 455 I CA -0.754 60.603 61.300 0.094 0.000 1.091 455 I CB 1.167 39.215 38.000 0.080 0.000 1.242 455 I HN 0.413 nan 8.210 nan 0.000 0.439 456 Y N 4.579 124.937 120.300 0.097 0.000 2.578 456 Y HA -0.017 4.533 4.550 -0.001 0.000 0.339 456 Y C 1.658 177.534 175.900 -0.040 0.000 1.231 456 Y CA -0.038 58.018 58.100 -0.073 0.000 1.461 456 Y CB 0.741 39.010 38.460 -0.318 0.000 1.323 456 Y HN 0.478 nan 8.280 nan 0.000 0.590 457 V N -1.052 118.928 119.914 0.110 0.000 2.594 457 V HA -0.231 3.888 4.120 -0.000 0.000 0.253 457 V C 1.324 177.485 176.094 0.112 0.000 1.069 457 V CA 1.930 64.306 62.300 0.126 0.000 1.082 457 V CB -0.531 31.323 31.823 0.052 0.000 0.680 457 V HN 0.893 nan 8.190 nan 0.000 0.469 458 D N -0.714 119.712 120.400 0.043 0.000 2.349 458 D HA -0.114 4.525 4.640 -0.000 0.000 0.224 458 D C 1.509 177.924 176.300 0.193 0.000 1.029 458 D CA 0.908 54.946 54.000 0.063 0.000 0.879 458 D CB -0.921 39.887 40.800 0.014 0.000 0.906 458 D HN 0.731 nan 8.370 nan 0.000 0.528 459 H N -0.740 118.398 119.070 0.114 0.000 2.586 459 H HA 0.200 4.756 4.556 -0.000 0.000 0.273 459 H C 1.755 177.110 175.328 0.044 0.000 0.997 459 H CA -0.322 55.775 56.048 0.082 0.000 1.177 459 H CB 1.113 30.942 29.762 0.113 0.000 1.471 459 H HN -0.046 nan 8.280 nan 0.000 0.538 460 V N 1.077 121.087 119.914 0.160 0.000 2.332 460 V HA -0.272 3.848 4.120 -0.000 0.000 0.248 460 V C 1.736 177.846 176.094 0.027 0.000 1.055 460 V CA 1.971 64.298 62.300 0.044 0.000 1.038 460 V CB -0.206 31.641 31.823 0.040 0.000 0.651 460 V HN 0.465 nan 8.190 nan 0.000 0.450 461 D N 0.333 120.771 120.400 0.062 0.000 2.104 461 D HA -0.140 4.499 4.640 -0.000 0.000 0.194 461 D C 2.246 178.565 176.300 0.032 0.000 0.994 461 D CA 1.751 55.782 54.000 0.050 0.000 0.830 461 D CB -0.467 40.366 40.800 0.055 0.000 0.959 461 D HN 0.426 nan 8.370 nan 0.000 0.452 462 A N 0.524 123.365 122.820 0.036 0.000 1.883 462 A HA -0.168 4.152 4.320 -0.000 0.000 0.217 462 A C 2.550 180.127 177.584 -0.011 0.000 1.186 462 A CA 1.566 53.606 52.037 0.005 0.000 0.624 462 A CB -0.856 18.131 19.000 -0.021 0.000 0.822 462 A HN 0.161 nan 8.150 nan 0.000 0.444 463 V N -0.224 119.681 119.914 -0.015 0.000 2.343 463 V HA -0.224 3.896 4.120 -0.000 0.000 0.247 463 V C 2.737 178.791 176.094 -0.066 0.000 1.051 463 V CA 2.424 64.692 62.300 -0.053 0.000 1.036 463 V CB -1.274 30.496 31.823 -0.088 0.000 0.654 463 V HN 0.629 nan 8.190 nan 0.000 0.451 464 T N -0.404 114.123 114.554 -0.046 0.000 2.684 464 T HA -0.218 4.131 4.350 -0.000 0.000 0.267 464 T C 1.963 176.669 174.700 0.010 0.000 1.036 464 T CA 2.179 64.288 62.100 0.015 0.000 1.148 464 T CB -0.419 68.501 68.868 0.086 0.000 0.863 464 T HN 0.546 nan 8.240 nan 0.000 0.436 465 T N 1.668 116.220 114.554 -0.003 0.000 2.708 465 T HA -0.146 4.204 4.350 -0.000 0.000 0.266 465 T C 2.074 176.743 174.700 -0.051 0.000 1.037 465 T CA 1.426 63.515 62.100 -0.019 0.000 1.146 465 T CB -0.319 68.541 68.868 -0.013 0.000 0.865 465 T HN 0.440 nan 8.240 nan 0.000 0.435 466 Q N 0.669 120.439 119.800 -0.050 0.000 2.084 466 Q HA -0.102 4.238 4.340 -0.000 0.000 0.202 466 Q C 2.326 178.271 176.000 -0.091 0.000 0.978 466 Q CA 1.515 57.275 55.803 -0.071 0.000 0.844 466 Q CB -0.353 28.371 28.738 -0.023 0.000 0.898 466 Q HN 0.779 nan 8.270 nan 0.000 0.426 467 I N -2.658 117.873 120.570 -0.064 0.000 3.001 467 I HA 0.059 4.229 4.170 -0.000 0.000 0.268 467 I C 1.845 177.935 176.117 -0.046 0.000 1.267 467 I CA 0.989 62.256 61.300 -0.056 0.000 1.472 467 I CB -0.247 37.724 38.000 -0.047 0.000 1.089 467 I HN 0.057 nan 8.210 nan 0.000 0.468 468 A N 1.332 124.118 122.820 -0.057 0.000 2.169 468 A HA 0.166 4.486 4.320 -0.000 0.000 0.212 468 A C 1.301 178.819 177.584 -0.109 0.000 1.153 468 A CA -0.029 51.974 52.037 -0.056 0.000 0.756 468 A CB -0.296 18.681 19.000 -0.038 0.000 0.813 468 A HN 0.422 nan 8.150 nan 0.000 0.471 469 R N 0.490 120.864 120.500 -0.210 0.000 2.389 469 R HA 0.333 4.672 4.340 -0.000 0.000 0.295 469 R C -0.632 175.473 176.300 -0.326 0.000 1.075 469 R CA -0.411 55.445 56.100 -0.407 0.000 1.005 469 R CB 0.675 30.456 30.300 -0.866 0.000 0.987 469 R HN 0.179 nan 8.270 nan 0.000 0.452 470 I N 5.220 125.664 120.570 -0.210 0.000 2.396 470 I HA 0.143 4.312 4.170 -0.000 0.000 0.289 470 I C -1.916 174.046 176.117 -0.259 0.000 1.056 470 I CA -2.752 58.446 61.300 -0.170 0.000 1.365 470 I CB 0.582 38.519 38.000 -0.106 0.000 1.407 470 I HN 0.268 nan 8.210 nan 0.000 0.509 471 P HA 0.064 nan 4.420 nan 0.000 0.266 471 P C -0.194 176.836 177.300 -0.450 0.000 1.195 471 P CA 0.273 63.037 63.100 -0.560 0.000 0.768 471 P CB 0.359 31.355 31.700 -1.173 0.000 0.838 472 H N 1.959 120.952 119.070 -0.129 0.000 2.509 472 H HA 0.266 4.822 4.556 -0.000 0.000 0.359 472 H C -1.964 173.376 175.328 0.020 0.000 1.253 472 H CA -1.840 54.170 56.048 -0.064 0.000 1.373 472 H CB -0.343 29.370 29.762 -0.081 0.000 1.555 472 H HN 0.238 nan 8.280 nan 0.000 0.586 473 P HA -0.074 nan 4.420 nan 0.000 0.266 473 P C -0.067 177.324 177.300 0.151 0.000 1.195 473 P CA 0.246 63.372 63.100 0.044 0.000 0.768 473 P CB 0.156 31.834 31.700 -0.036 0.000 0.838 474 F N 3.989 123.966 119.950 0.046 0.000 2.539 474 F HA 0.151 4.678 4.527 -0.000 0.000 0.340 474 F C -1.268 174.567 175.800 0.058 0.000 1.185 474 F CA -1.662 56.377 58.000 0.066 0.000 1.333 474 F CB -0.977 37.999 39.000 -0.040 0.000 1.152 474 F HN 0.306 nan 8.300 nan 0.000 0.602 475 P HA 0.206 nan 4.420 nan 0.000 0.289 475 P C -0.733 176.657 177.300 0.149 0.000 1.299 475 P CA -0.466 62.768 63.100 0.222 0.000 0.766 475 P CB 0.996 32.840 31.700 0.239 0.000 1.226 476 R N -0.443 120.102 120.500 0.074 0.000 2.740 476 R HA 0.554 4.893 4.340 -0.000 0.000 0.282 476 R C -0.974 175.264 176.300 -0.103 0.000 0.969 476 R CA -1.107 55.005 56.100 0.019 0.000 0.918 476 R CB 1.387 31.688 30.300 0.003 0.000 1.175 476 R HN 0.371 nan 8.270 nan 0.000 0.464 477 L N 2.770 123.885 121.223 -0.179 0.000 2.295 477 L HA 0.480 4.819 4.340 -0.000 0.000 0.285 477 L C -0.558 176.191 176.870 -0.202 0.000 1.035 477 L CA -0.041 54.581 54.840 -0.362 0.000 0.806 477 L CB 1.054 42.788 42.059 -0.541 0.000 1.214 477 L HN 0.492 nan 8.230 nan 0.000 0.426 478 R N 5.463 125.848 120.500 -0.191 0.000 2.476 478 R HA 0.586 4.926 4.340 -0.000 0.000 0.305 478 R C -1.675 174.563 176.300 -0.104 0.000 0.965 478 R CA -0.622 55.414 56.100 -0.107 0.000 0.867 478 R CB 0.952 31.214 30.300 -0.064 0.000 1.176 478 R HN 0.732 nan 8.270 nan 0.000 0.447 479 L N 2.713 123.900 121.223 -0.060 0.000 2.343 479 L HA 0.346 4.686 4.340 -0.000 0.000 0.275 479 L C 0.368 177.275 176.870 0.062 0.000 1.056 479 L CA -1.102 53.742 54.840 0.006 0.000 0.804 479 L CB 1.216 43.303 42.059 0.045 0.000 1.203 479 L HN 0.581 nan 8.230 nan 0.000 0.440 480 N N 3.756 122.517 118.700 0.103 0.000 2.434 480 N HA 0.020 4.760 4.740 -0.000 0.000 0.268 480 N C -1.661 173.886 175.510 0.062 0.000 1.256 480 N CA -1.372 51.716 53.050 0.063 0.000 0.914 480 N CB 0.880 39.395 38.487 0.046 0.000 1.088 480 N HN 0.317 nan 8.380 nan 0.000 0.478 481 P HA -0.037 nan 4.420 nan 0.000 0.226 481 P C -0.096 177.200 177.300 -0.008 0.000 1.153 481 P CA 0.795 63.908 63.100 0.023 0.000 0.777 481 P CB 0.417 32.127 31.700 0.017 0.000 0.794 482 D N -0.417 119.966 120.400 -0.029 0.000 2.363 482 D HA 0.011 4.650 4.640 -0.000 0.000 0.220 482 D C 0.842 177.076 176.300 -0.109 0.000 0.994 482 D CA 0.463 54.430 54.000 -0.055 0.000 0.890 482 D CB -0.082 40.688 40.800 -0.049 0.000 0.906 482 D HN 0.178 nan 8.370 nan 0.000 0.530 483 I N 1.030 121.498 120.570 -0.170 0.000 2.396 483 I HA 0.146 4.316 4.170 -0.000 0.000 0.289 483 I C 1.737 177.677 176.117 -0.294 0.000 1.056 483 I CA 0.135 61.217 61.300 -0.364 0.000 1.365 483 I CB 0.801 38.306 38.000 -0.826 0.000 1.407 483 I HN -0.095 nan 8.210 nan 0.000 0.509 484 R N 5.281 125.640 120.500 -0.236 0.000 2.279 484 R HA 0.232 4.572 4.340 -0.000 0.000 0.195 484 R C 0.456 176.685 176.300 -0.118 0.000 0.905 484 R CA 0.392 56.411 56.100 -0.135 0.000 1.044 484 R CB -0.246 29.998 30.300 -0.092 0.000 1.056 484 R HN 0.681 nan 8.270 nan 0.000 0.535 485 N N -0.492 118.108 118.700 -0.166 0.000 2.258 485 N HA 0.278 5.018 4.740 -0.000 0.000 0.299 485 N C 0.158 175.614 175.510 -0.090 0.000 1.047 485 N CA -0.522 52.473 53.050 -0.091 0.000 0.814 485 N CB 2.242 40.688 38.487 -0.068 0.000 1.413 485 N HN 0.090 nan 8.380 nan 0.000 0.478 486 I N 1.479 122.082 120.570 0.055 0.000 2.335 486 I HA -0.223 3.947 4.170 -0.000 0.000 0.251 486 I C 1.424 177.669 176.117 0.213 0.000 1.129 486 I CA 1.597 63.036 61.300 0.232 0.000 1.402 486 I CB 0.290 38.416 38.000 0.211 0.000 1.069 486 I HN 0.522 nan 8.210 nan 0.000 0.424 487 E N 0.116 120.375 120.200 0.098 0.000 2.478 487 E HA -0.158 4.191 4.350 -0.000 0.000 0.198 487 E C 0.905 177.535 176.600 0.050 0.000 1.046 487 E CA 0.549 57.005 56.400 0.093 0.000 0.870 487 E CB 0.027 29.767 29.700 0.067 0.000 0.818 487 E HN 0.537 nan 8.360 nan 0.000 0.527 488 D N -0.163 120.212 120.400 -0.043 0.000 2.354 488 D HA 0.005 4.645 4.640 -0.000 0.000 0.209 488 D C -0.131 176.093 176.300 -0.127 0.000 1.015 488 D CA 0.181 54.116 54.000 -0.108 0.000 0.867 488 D CB 0.040 40.727 40.800 -0.189 0.000 0.933 488 D HN 0.024 nan 8.370 nan 0.000 0.520 489 F N 1.719 121.670 119.950 0.000 0.000 2.578 489 F HA 0.106 4.632 4.527 -0.001 0.000 0.376 489 F C 1.640 177.434 175.800 -0.010 0.000 1.085 489 F CA -0.019 57.974 58.000 -0.012 0.000 1.260 489 F CB 0.414 39.403 39.000 -0.018 0.000 1.095 489 F HN -0.257 nan 8.300 nan 0.000 0.573 490 T N 0.869 115.524 114.554 0.168 0.000 2.940 490 T HA 0.401 4.751 4.350 -0.000 0.000 0.288 490 T C 0.949 175.686 174.700 0.063 0.000 1.045 490 T CA -0.806 61.347 62.100 0.087 0.000 1.018 490 T CB 1.290 70.183 68.868 0.042 0.000 1.151 490 T HN 0.586 nan 8.240 nan 0.000 0.529 491 I N 0.338 120.919 120.570 0.018 0.000 2.361 491 I HA -0.127 4.043 4.170 -0.000 0.000 0.251 491 I C 1.371 177.473 176.117 -0.025 0.000 1.133 491 I CA 1.660 62.948 61.300 -0.021 0.000 1.413 491 I CB -0.154 37.822 38.000 -0.040 0.000 1.073 491 I HN 0.625 nan 8.210 nan 0.000 0.424 492 D N 0.925 121.319 120.400 -0.010 0.000 2.351 492 D HA -0.155 4.485 4.640 -0.000 0.000 0.216 492 D C 1.233 177.533 176.300 0.000 0.000 0.968 492 D CA 0.931 54.924 54.000 -0.012 0.000 0.899 492 D CB -0.269 40.526 40.800 -0.008 0.000 0.907 492 D HN 0.497 nan 8.370 nan 0.000 0.514 493 D N -0.229 120.192 120.400 0.036 0.000 2.339 493 D HA 0.099 4.739 4.640 -0.000 0.000 0.217 493 D C 0.455 176.788 176.300 0.055 0.000 1.050 493 D CA 0.069 54.120 54.000 0.084 0.000 0.856 493 D CB 1.093 42.013 40.800 0.200 0.000 0.922 493 D HN 0.265 nan 8.370 nan 0.000 0.518 494 I N 1.472 122.020 120.570 -0.036 0.000 2.437 494 I HA 0.171 4.341 4.170 -0.000 0.000 0.279 494 I C -0.727 175.281 176.117 -0.181 0.000 1.028 494 I CA -0.543 60.668 61.300 -0.147 0.000 1.142 494 I CB 2.063 39.940 38.000 -0.206 0.000 1.266 494 I HN -0.411 nan 8.210 nan 0.000 0.461 495 V N 6.824 126.624 119.914 -0.190 0.000 2.448 495 V HA 0.412 4.532 4.120 -0.000 0.000 0.295 495 V C -0.028 175.915 176.094 -0.252 0.000 1.025 495 V CA -0.763 61.430 62.300 -0.180 0.000 0.859 495 V CB 2.326 34.085 31.823 -0.107 0.000 0.988 495 V HN 0.312 nan 8.190 nan 0.000 0.431 496 V N 5.060 124.818 119.914 -0.261 0.000 2.370 496 V HA 0.455 4.575 4.120 -0.000 0.000 0.279 496 V C 0.032 176.054 176.094 -0.119 0.000 1.029 496 V CA -0.533 61.605 62.300 -0.270 0.000 0.870 496 V CB 1.454 33.065 31.823 -0.354 0.000 0.984 496 V HN 0.848 nan 8.190 nan 0.000 0.451 497 E N 3.049 123.204 120.200 -0.075 0.000 2.202 497 E HA 0.371 4.721 4.350 -0.000 0.000 0.272 497 E C -0.640 175.982 176.600 0.037 0.000 0.951 497 E CA -0.550 55.841 56.400 -0.015 0.000 0.813 497 E CB 1.466 31.157 29.700 -0.015 0.000 1.151 497 E HN 0.697 nan 8.360 nan 0.000 0.398 498 D N 0.826 121.254 120.400 0.046 0.000 2.835 498 D HA -0.235 4.405 4.640 -0.000 0.000 0.230 498 D C -0.711 175.659 176.300 0.118 0.000 1.130 498 D CA 0.814 54.847 54.000 0.055 0.000 0.738 498 D CB -1.945 38.884 40.800 0.048 0.000 1.090 498 D HN 0.411 nan 8.370 nan 0.000 0.433 499 Y N 0.858 121.144 120.300 -0.023 0.000 2.452 499 Y HA 0.413 4.963 4.550 -0.000 0.000 0.348 499 Y C -0.362 175.503 175.900 -0.058 0.000 0.985 499 Y CA -0.605 57.487 58.100 -0.013 0.000 1.214 499 Y CB 0.622 39.076 38.460 -0.010 0.000 1.136 499 Y HN -0.117 nan 8.280 nan 0.000 0.523 500 V N 6.671 126.400 119.914 -0.308 0.000 2.384 500 V HA 0.592 4.711 4.120 -0.000 0.000 0.287 500 V C -0.451 175.226 176.094 -0.694 0.000 1.020 500 V CA -0.377 61.605 62.300 -0.530 0.000 0.850 500 V CB 1.166 32.703 31.823 -0.477 0.000 0.987 500 V HN 0.830 nan 8.190 nan 0.000 0.436 501 S N 3.254 118.523 115.700 -0.718 0.000 2.618 501 S HA 0.602 5.072 4.470 -0.000 0.000 0.277 501 S C -0.643 173.818 174.600 -0.232 0.000 1.138 501 S CA -0.939 57.017 58.200 -0.406 0.000 0.844 501 S CB 1.608 64.494 63.200 -0.524 0.000 1.127 501 S HN 0.652 nan 8.310 nan 0.000 0.474 502 H N 0.752 119.839 119.070 0.028 0.000 2.703 502 H HA 0.309 4.864 4.556 -0.000 0.000 0.377 502 H C -2.273 173.044 175.328 -0.019 0.000 1.392 502 H CA -0.487 55.582 56.048 0.034 0.000 1.458 502 H CB -0.113 29.671 29.762 0.037 0.000 1.529 502 H HN 0.391 nan 8.280 nan 0.000 0.619 503 P HA 0.025 nan 4.420 nan 0.000 0.270 503 P C -2.318 175.016 177.300 0.057 0.000 1.223 503 P CA -0.866 62.269 63.100 0.059 0.000 0.785 503 P CB -0.111 31.622 31.700 0.055 0.000 0.923 504 P HA 0.155 nan 4.420 nan 0.000 0.272 504 P C -0.592 176.722 177.300 0.024 0.000 1.223 504 P CA 0.594 63.716 63.100 0.036 0.000 0.784 504 P CB 0.448 32.166 31.700 0.030 0.000 0.923 505 I N 3.436 124.015 120.570 0.014 0.000 2.382 505 I HA 0.275 4.445 4.170 -0.000 0.000 0.286 505 I C -2.129 173.975 176.117 -0.022 0.000 1.002 505 I CA -2.497 58.801 61.300 -0.004 0.000 1.135 505 I CB 1.508 39.501 38.000 -0.012 0.000 1.288 505 I HN 0.113 nan 8.210 nan 0.000 0.448 506 P HA 0.305 nan 4.420 nan 0.000 0.271 506 P C -0.891 176.373 177.300 -0.060 0.000 1.220 506 P CA 0.003 63.086 63.100 -0.029 0.000 0.768 506 P CB 0.517 32.211 31.700 -0.010 0.000 0.848 507 M N 2.277 121.819 119.600 -0.095 0.000 2.183 507 M HA 0.477 4.956 4.480 -0.000 0.000 0.277 507 M C -0.648 175.626 176.300 -0.043 0.000 0.995 507 M CA -0.520 54.671 55.300 -0.183 0.000 0.969 507 M CB 2.189 34.497 32.600 -0.487 0.000 1.659 507 M HN 0.311 nan 8.290 nan 0.000 0.462 508 A N 4.195 127.084 122.820 0.115 0.000 2.354 508 A HA 0.626 4.946 4.320 -0.000 0.000 0.269 508 A C -0.313 177.345 177.584 0.123 0.000 1.109 508 A CA -0.480 51.609 52.037 0.086 0.000 0.800 508 A CB 0.674 19.709 19.000 0.058 0.000 1.045 508 A HN 0.933 nan 8.150 nan 0.000 0.489 509 M N 2.205 121.795 119.600 -0.017 0.000 2.185 509 M HA 0.188 4.667 4.480 -0.000 0.000 0.357 509 M C -0.233 175.968 176.300 -0.166 0.000 1.260 509 M CA 0.021 55.263 55.300 -0.096 0.000 1.124 509 M CB 0.545 33.063 32.600 -0.136 0.000 1.600 509 M HN 0.599 nan 8.290 nan 0.000 0.467 510 S N 5.039 120.546 115.700 -0.322 0.000 3.530 510 S HA 0.470 4.940 4.470 -0.000 0.000 0.279 510 S C 0.184 174.657 174.600 -0.211 0.000 1.280 510 S CA 0.144 58.137 58.200 -0.344 0.000 0.946 510 S CB -1.066 61.724 63.200 -0.683 0.000 1.501 510 S HN 1.008 nan 8.310 nan 0.000 0.498 511 A N 0.000 122.747 122.820 -0.122 0.000 2.254 511 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 511 A CA 0.000 51.991 52.037 -0.076 0.000 0.836 511 A CB 0.000 19.012 19.000 0.019 0.000 0.831 511 A HN 0.000 nan 8.150 nan 0.000 0.486