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 3fsn_1_A DATA FIRST_RESID 3 DATA SEQUENCE SQVEHPAGGY KKLFETVEEL SSPLTAHVTG RIPLWLTGSL LRCGPGLFEV DATA SEQUENCE GSEPFYHLFD GQALLHKFDF KEGHVTYHRR FIRTDAYVRA MTEKRIVITE DATA SEQUENCE FGTCAFXXXX XXXXXXXXXX XXXXEVTDNA LVNIYPVGED YYACTETNFI DATA SEQUENCE TKVNPETLET IKQVDLCNYV SVNGATAHPH IENDGTVYNI GNCFGKNFSI DATA SEQUENCE AYNIVKIPPL QADKEDPISK SEIVVQFPCS DRFKPSYVHS FGLTPNYIVF DATA SEQUENCE VETPVKINLF KFLSSWSLWG ANYMDCFESN ETMGVWLHIA DKKRKKYINN DATA SEQUENCE KYRTSPFNLF HHINTYEDHE FLIVDLCCWK GFEFVYNYLY LANLRENWEE DATA SEQUENCE VKKNARKAPQ PEVRRYVLPL NIDKADTGKN LVTLPNTTAT AILCSDETIW DATA SEQUENCE LEPEVLFSGP RQAFEFPQIN YQKYGGKPYT YAYGLGLNHF VPDRLCKLNV DATA SEQUENCE KTKETWVWQE PDSYPSEPIF VSHPDALEED DGVVLSVVVS PGAGQKPAYL DATA SEQUENCE LILNAKDLSE VARAEVEINI PVTFHGLFKK S 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 3 S HA 0.000 nan 4.470 nan 0.000 0.327 3 S C 0.000 174.617 174.600 0.028 0.000 1.055 3 S CA 0.000 58.209 58.200 0.014 0.000 1.107 3 S CB 0.000 63.205 63.200 0.008 0.000 0.593 4 Q N 1.824 121.656 119.800 0.054 0.000 2.436 4 Q HA 0.166 4.506 4.340 -0.000 0.000 0.326 4 Q C -0.523 175.517 176.000 0.066 0.000 1.079 4 Q CA 0.278 56.139 55.803 0.096 0.000 1.049 4 Q CB 0.025 28.844 28.738 0.134 0.000 1.047 4 Q HN 0.616 nan 8.270 nan 0.000 0.386 5 V N 5.694 125.635 119.914 0.046 0.000 2.508 5 V HA 0.143 4.263 4.120 -0.000 0.000 0.281 5 V C 0.318 176.299 176.094 -0.189 0.000 1.041 5 V CA -0.101 62.142 62.300 -0.095 0.000 1.016 5 V CB 0.767 32.519 31.823 -0.119 0.000 0.984 5 V HN 0.798 nan 8.190 nan 0.000 0.478 6 E N 3.659 123.666 120.200 -0.321 0.000 2.222 6 E HA 0.484 4.834 4.350 -0.000 0.000 0.267 6 E C -0.603 175.394 176.600 -1.006 0.000 0.963 6 E CA -0.685 55.478 56.400 -0.394 0.000 0.837 6 E CB 1.646 31.360 29.700 0.024 0.000 1.183 6 E HN 0.640 nan 8.360 nan 0.000 0.403 7 H N 1.079 119.453 119.070 -1.161 0.000 2.535 7 H HA 0.168 4.724 4.556 -0.000 0.000 0.232 7 H C -1.808 173.359 175.328 -0.269 0.000 1.405 7 H CA -1.437 54.204 56.048 -0.678 0.000 1.224 7 H CB 0.647 29.991 29.762 -0.697 0.000 1.763 7 H HN 0.262 nan 8.280 nan 0.000 0.529 8 P HA -0.107 nan 4.420 nan 0.000 0.219 8 P C 1.513 178.887 177.300 0.125 0.000 1.146 8 P CA 0.958 64.156 63.100 0.165 0.000 0.808 8 P CB 0.327 32.101 31.700 0.122 0.000 0.779 9 A N 0.045 122.912 122.820 0.078 0.000 2.015 9 A HA 0.204 4.524 4.320 -0.000 0.000 0.219 9 A C 1.845 179.414 177.584 -0.025 0.000 1.163 9 A CA 1.479 53.540 52.037 0.041 0.000 0.646 9 A CB -1.567 17.461 19.000 0.046 0.000 0.806 9 A HN 0.300 nan 8.150 nan 0.000 0.448 10 G N -2.358 106.399 108.800 -0.072 0.000 2.160 10 G HA2 -0.109 3.851 3.960 -0.000 0.000 0.244 10 G HA3 -0.109 3.851 3.960 -0.000 0.000 0.244 10 G C 1.055 175.537 174.900 -0.697 0.000 1.022 10 G CA 0.610 45.423 45.100 -0.478 0.000 0.741 10 G HN 1.300 nan 8.290 nan 0.000 0.508 11 G N -0.061 108.509 108.800 -0.382 0.000 2.534 11 G HA2 0.118 4.078 3.960 -0.000 0.000 0.217 11 G HA3 0.118 4.078 3.960 -0.000 0.000 0.217 11 G C 1.337 175.906 174.900 -0.552 0.000 1.128 11 G CA 1.452 46.398 45.100 -0.256 0.000 0.784 11 G HN 1.065 nan 8.290 nan 0.000 0.542 12 Y N 0.641 120.427 120.300 -0.858 0.000 2.403 12 Y HA 0.142 4.692 4.550 -0.000 0.000 0.291 12 Y C 2.331 177.944 175.900 -0.478 0.000 1.143 12 Y CA 0.678 58.181 58.100 -0.994 0.000 1.257 12 Y CB -0.361 37.550 38.460 -0.916 0.000 0.984 12 Y HN 0.085 nan 8.280 nan 0.000 0.550 13 K N 0.759 120.867 120.400 -0.487 0.000 2.211 13 K HA -0.135 4.185 4.320 -0.000 0.000 0.204 13 K C 1.797 178.275 176.600 -0.204 0.000 1.047 13 K CA 1.311 57.501 56.287 -0.162 0.000 0.935 13 K CB -0.102 32.279 32.500 -0.200 0.000 0.728 13 K HN 0.221 nan 8.250 nan 0.000 0.452 14 K N 0.851 121.083 120.400 -0.281 0.000 2.362 14 K HA -0.047 4.273 4.320 -0.000 0.000 0.200 14 K C 1.820 178.217 176.600 -0.337 0.000 1.046 14 K CA 0.733 56.880 56.287 -0.234 0.000 0.952 14 K CB -0.040 32.365 32.500 -0.157 0.000 0.753 14 K HN 0.228 nan 8.250 nan 0.000 0.466 15 L N -0.370 120.488 121.223 -0.609 0.000 2.275 15 L HA -0.088 4.252 4.340 -0.000 0.000 0.215 15 L C 0.806 177.155 176.870 -0.868 0.000 1.119 15 L CA 0.897 55.244 54.840 -0.822 0.000 0.790 15 L CB -0.190 41.143 42.059 -1.210 0.000 0.919 15 L HN 0.010 nan 8.230 nan 0.000 0.443 16 F N -1.016 118.731 119.950 -0.338 0.000 2.791 16 F HA 0.320 4.847 4.527 -0.000 0.000 0.308 16 F C 0.629 175.842 175.800 -0.978 0.000 1.138 16 F CA -0.841 56.672 58.000 -0.812 0.000 1.294 16 F CB -0.135 38.544 39.000 -0.535 0.000 0.975 16 F HN -0.078 nan 8.300 nan 0.000 0.512 17 E N 0.809 120.782 120.200 -0.379 0.000 2.151 17 E HA 0.279 4.629 4.350 -0.000 0.000 0.275 17 E C -0.216 176.504 176.600 0.200 0.000 0.936 17 E CA -0.402 55.933 56.400 -0.108 0.000 0.777 17 E CB 1.228 30.903 29.700 -0.041 0.000 1.108 17 E HN 0.005 nan 8.360 nan 0.000 0.401 18 T N 2.437 117.235 114.554 0.406 0.000 2.923 18 T HA 0.093 4.443 4.350 -0.000 0.000 0.304 18 T C 0.087 174.977 174.700 0.316 0.000 1.044 18 T CA 0.060 62.457 62.100 0.496 0.000 1.141 18 T CB 0.248 69.344 68.868 0.380 0.000 1.023 18 T HN 0.364 nan 8.240 nan 0.000 0.533 19 V N 0.700 120.814 119.914 0.333 0.000 3.126 19 V HA 0.687 4.807 4.120 -0.000 0.000 0.314 19 V C -0.415 175.856 176.094 0.295 0.000 1.138 19 V CA -1.255 61.189 62.300 0.241 0.000 1.034 19 V CB 2.044 33.972 31.823 0.174 0.000 1.075 19 V HN 0.807 nan 8.190 nan 0.000 0.442 20 E N 1.405 121.733 120.200 0.213 0.000 2.266 20 E HA 0.345 4.695 4.350 -0.000 0.000 0.277 20 E C -0.330 176.358 176.600 0.146 0.000 1.018 20 E CA -0.503 56.034 56.400 0.229 0.000 0.840 20 E CB 1.537 31.324 29.700 0.144 0.000 1.082 20 E HN 0.902 nan 8.360 nan 0.000 0.395 21 E N 2.998 123.304 120.200 0.177 0.000 2.397 21 E HA 0.211 4.561 4.350 -0.000 0.000 0.254 21 E C -0.614 175.978 176.600 -0.013 0.000 1.231 21 E CA -0.399 55.979 56.400 -0.038 0.000 0.954 21 E CB 0.688 30.378 29.700 -0.017 0.000 1.024 21 E HN 0.297 nan 8.360 nan 0.000 0.481 22 L N 1.350 122.534 121.223 -0.065 0.000 2.331 22 L HA 0.156 4.496 4.340 -0.000 0.000 0.275 22 L C 1.197 178.132 176.870 0.108 0.000 1.022 22 L CA -0.544 54.312 54.840 0.027 0.000 0.812 22 L CB 1.907 43.995 42.059 0.047 0.000 1.257 22 L HN 0.815 nan 8.230 nan 0.000 0.435 23 S N -0.320 115.415 115.700 0.059 0.000 2.414 23 S HA 0.017 4.487 4.470 -0.000 0.000 0.227 23 S C 0.661 175.256 174.600 -0.007 0.000 1.022 23 S CA 0.381 58.606 58.200 0.043 0.000 0.958 23 S CB -0.053 63.151 63.200 0.006 0.000 0.797 23 S HN 0.717 nan 8.310 nan 0.000 0.493 24 S N 0.366 115.982 115.700 -0.140 0.000 2.638 24 S HA 0.711 5.181 4.470 -0.000 0.000 0.274 24 S C -3.527 170.722 174.600 -0.585 0.000 1.157 24 S CA -1.632 56.318 58.200 -0.418 0.000 0.826 24 S CB 0.958 64.018 63.200 -0.233 0.000 1.139 24 S HN 0.030 nan 8.310 nan 0.000 0.474 25 P HA 0.377 nan 4.420 nan 0.000 0.272 25 P C -0.975 176.197 177.300 -0.212 0.000 1.223 25 P CA -0.587 62.235 63.100 -0.463 0.000 0.784 25 P CB 0.325 31.805 31.700 -0.366 0.000 0.923 26 L N 0.839 121.992 121.223 -0.116 0.000 2.362 26 L HA 0.478 4.818 4.340 -0.000 0.000 0.275 26 L C -0.628 176.253 176.870 0.018 0.000 0.998 26 L CA -0.439 54.387 54.840 -0.023 0.000 0.820 26 L CB 1.752 43.834 42.059 0.038 0.000 1.270 26 L HN 0.198 nan 8.230 nan 0.000 0.415 27 T N 4.288 118.856 114.554 0.023 0.000 2.779 27 T HA 0.476 4.826 4.350 -0.000 0.000 0.296 27 T C 0.334 175.084 174.700 0.083 0.000 0.938 27 T CA -0.049 62.078 62.100 0.045 0.000 1.119 27 T CB 0.965 69.858 68.868 0.041 0.000 0.891 27 T HN 0.725 nan 8.240 nan 0.000 0.526 28 A N 3.178 126.054 122.820 0.094 0.000 2.322 28 A HA 0.346 4.666 4.320 -0.000 0.000 0.269 28 A C 0.126 177.771 177.584 0.101 0.000 1.094 28 A CA -0.605 51.501 52.037 0.115 0.000 0.807 28 A CB 0.237 19.313 19.000 0.128 0.000 1.047 28 A HN 0.940 nan 8.150 nan 0.000 0.487 29 H N 1.970 121.056 119.070 0.027 0.000 2.652 29 H HA 0.410 4.966 4.556 -0.000 0.000 0.298 29 H C -1.212 174.104 175.328 -0.020 0.000 1.076 29 H CA -0.154 55.896 56.048 0.002 0.000 1.360 29 H CB 0.794 30.556 29.762 -0.000 0.000 1.421 29 H HN 0.288 nan 8.280 nan 0.000 0.464 30 V N 6.269 125.865 119.914 -0.530 0.000 2.383 30 V HA 0.115 4.235 4.120 -0.000 0.000 0.275 30 V C 0.600 176.422 176.094 -0.453 0.000 1.036 30 V CA -0.366 61.707 62.300 -0.377 0.000 0.889 30 V CB 1.381 33.040 31.823 -0.273 0.000 0.985 30 V HN 0.911 nan 8.190 nan 0.000 0.459 31 T N 2.249 116.643 114.554 -0.267 0.000 2.855 31 T HA 0.799 5.149 4.350 -0.000 0.000 0.281 31 T C 0.399 175.016 174.700 -0.139 0.000 1.007 31 T CA 0.313 62.306 62.100 -0.177 0.000 1.009 31 T CB 1.596 70.406 68.868 -0.096 0.000 0.983 31 T HN 1.703 nan 8.240 nan 0.000 0.455 32 G N 1.821 110.555 108.800 -0.111 0.000 2.562 32 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.250 32 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.250 32 G C -0.480 174.350 174.900 -0.115 0.000 1.269 32 G CA -0.123 44.918 45.100 -0.097 0.000 0.919 32 G HN 0.999 nan 8.290 nan 0.000 0.574 33 R N -0.365 120.068 120.500 -0.113 0.000 2.473 33 R HA 0.528 4.868 4.340 -0.000 0.000 0.303 33 R C -0.304 175.907 176.300 -0.149 0.000 1.002 33 R CA -0.860 55.166 56.100 -0.123 0.000 0.884 33 R CB 0.571 30.814 30.300 -0.095 0.000 1.173 33 R HN 0.513 nan 8.270 nan 0.000 0.464 34 I N 6.405 126.877 120.570 -0.163 0.000 2.471 34 I HA 0.159 4.329 4.170 -0.000 0.000 0.286 34 I C -1.745 174.207 176.117 -0.275 0.000 1.079 34 I CA -1.849 59.330 61.300 -0.201 0.000 1.398 34 I CB 1.077 39.009 38.000 -0.114 0.000 1.403 34 I HN 0.363 nan 8.210 nan 0.000 0.530 35 P HA -0.033 nan 4.420 nan 0.000 0.261 35 P C 0.687 177.656 177.300 -0.551 0.000 1.173 35 P CA 0.200 62.926 63.100 -0.623 0.000 0.760 35 P CB 0.451 31.371 31.700 -1.300 0.000 0.783 36 L N 2.475 123.523 121.223 -0.292 0.000 2.456 36 L HA -0.062 4.278 4.340 -0.000 0.000 0.224 36 L C 1.900 178.729 176.870 -0.068 0.000 1.148 36 L CA 0.739 55.505 54.840 -0.123 0.000 0.825 36 L CB -0.563 41.489 42.059 -0.012 0.000 0.937 36 L HN 0.645 nan 8.230 nan 0.000 0.450 37 W N -1.027 120.219 121.300 -0.091 0.000 2.905 37 W HA 0.115 4.775 4.660 -0.000 0.000 0.251 37 W C 0.435 176.874 176.519 -0.133 0.000 1.305 37 W CA -0.538 56.719 57.345 -0.146 0.000 1.465 37 W CB -0.227 29.043 29.460 -0.316 0.000 1.122 37 W HN -0.014 nan 8.180 nan 0.000 0.659 38 L N 3.668 124.642 121.223 -0.416 0.000 2.407 38 L HA 0.316 4.656 4.340 -0.000 0.000 0.282 38 L C -0.675 176.200 176.870 0.009 0.000 1.110 38 L CA 0.997 55.629 54.840 -0.347 0.000 0.863 38 L CB 0.557 42.137 42.059 -0.799 0.000 1.207 38 L HN -0.160 nan 8.230 nan 0.000 0.454 39 T N 4.069 118.747 114.554 0.206 0.000 2.949 39 T HA 0.848 5.198 4.350 -0.000 0.000 0.300 39 T C -0.019 174.833 174.700 0.254 0.000 0.988 39 T CA -0.223 62.014 62.100 0.228 0.000 0.993 39 T CB 1.420 70.376 68.868 0.146 0.000 0.984 39 T HN 0.941 nan 8.240 nan 0.000 0.442 40 G N 1.658 110.575 108.800 0.196 0.000 2.352 40 G HA2 0.436 4.396 3.960 -0.000 0.000 0.283 40 G HA3 0.436 4.396 3.960 -0.000 0.000 0.283 40 G C -1.667 173.132 174.900 -0.169 0.000 1.308 40 G CA -0.841 44.147 45.100 -0.187 0.000 0.892 40 G HN 0.670 nan 8.290 nan 0.000 0.504 41 S N -0.366 115.014 115.700 -0.534 0.000 2.561 41 S HA 0.570 5.040 4.470 -0.000 0.000 0.303 41 S C -0.767 173.740 174.600 -0.154 0.000 1.110 41 S CA -0.478 57.624 58.200 -0.164 0.000 1.034 41 S CB 1.654 64.759 63.200 -0.160 0.000 1.010 41 S HN 1.070 nan 8.310 nan 0.000 0.482 42 L N 4.876 126.308 121.223 0.349 0.000 2.278 42 L HA 0.526 4.866 4.340 -0.000 0.000 0.287 42 L C -1.315 175.717 176.870 0.270 0.000 1.072 42 L CA 0.057 55.159 54.840 0.436 0.000 0.819 42 L CB -0.100 42.342 42.059 0.638 0.000 1.176 42 L HN 0.604 nan 8.230 nan 0.000 0.435 43 L N 6.659 127.981 121.223 0.166 0.000 2.305 43 L HA 0.634 4.974 4.340 -0.000 0.000 0.284 43 L C -0.091 176.869 176.870 0.149 0.000 1.013 43 L CA -0.528 54.374 54.840 0.102 0.000 0.819 43 L CB 1.321 43.376 42.059 -0.007 0.000 1.227 43 L HN 0.621 nan 8.230 nan 0.000 0.417 44 R N 2.012 122.610 120.500 0.164 0.000 2.725 44 R HA 0.689 5.029 4.340 -0.000 0.000 0.277 44 R C -1.511 174.906 176.300 0.196 0.000 0.987 44 R CA -0.633 55.567 56.100 0.166 0.000 0.901 44 R CB 2.466 32.833 30.300 0.111 0.000 1.207 44 R HN 0.557 nan 8.270 nan 0.000 0.463 45 C N 0.807 120.215 119.300 0.181 0.000 2.493 45 C HA 0.971 5.431 4.460 -0.000 0.000 0.326 45 C C 0.424 175.498 174.990 0.139 0.000 1.200 45 C CA -0.417 58.710 59.018 0.182 0.000 1.739 45 C CB 1.442 29.294 27.740 0.187 0.000 2.300 45 C HN 1.011 nan 8.230 nan 0.000 0.500 46 G N 1.953 110.816 108.800 0.105 0.000 2.506 46 G HA2 0.661 4.621 3.960 -0.000 0.000 0.292 46 G HA3 0.661 4.621 3.960 -0.000 0.000 0.292 46 G C -3.467 171.445 174.900 0.019 0.000 1.425 46 G CA -0.604 44.461 45.100 -0.059 0.000 0.788 46 G HN 0.449 nan 8.290 nan 0.000 0.490 47 P HA 0.345 nan 4.420 nan 0.000 0.279 47 P C 0.357 177.557 177.300 -0.166 0.000 1.239 47 P CA 0.168 63.196 63.100 -0.120 0.000 0.789 47 P CB 2.030 33.620 31.700 -0.183 0.000 0.933 48 G N 1.626 110.335 108.800 -0.153 0.000 2.801 48 G HA2 0.223 4.183 3.960 -0.000 0.000 0.213 48 G HA3 0.223 4.183 3.960 -0.000 0.000 0.213 48 G C -0.531 174.521 174.900 0.253 0.000 1.052 48 G CA 0.198 45.345 45.100 0.078 0.000 0.868 48 G HN 0.452 nan 8.290 nan 0.000 0.589 49 L N 0.390 121.627 121.223 0.023 0.000 2.372 49 L HA 0.696 5.036 4.340 -0.000 0.000 0.273 49 L C -0.829 176.027 176.870 -0.024 0.000 0.989 49 L CA -0.993 53.907 54.840 0.099 0.000 0.841 49 L CB 1.261 43.354 42.059 0.057 0.000 1.225 49 L HN 0.027 nan 8.230 nan 0.000 0.414 50 F N 3.252 123.403 119.950 0.335 0.000 2.653 50 F HA 0.391 4.918 4.527 -0.000 0.000 0.304 50 F C 0.474 176.509 175.800 0.391 0.000 1.092 50 F CA -0.332 57.913 58.000 0.410 0.000 1.279 50 F CB 0.400 39.555 39.000 0.259 0.000 1.044 50 F HN 0.497 nan 8.300 nan 0.000 0.564 51 E N -0.435 119.980 120.200 0.358 0.000 2.401 51 E HA 0.385 4.735 4.350 -0.000 0.000 0.280 51 E C -1.652 174.911 176.600 -0.060 0.000 1.039 51 E CA -0.746 55.653 56.400 -0.003 0.000 0.814 51 E CB 2.108 31.809 29.700 0.003 0.000 1.275 51 E HN -0.191 nan 8.360 nan 0.000 0.448 52 V N 2.165 121.941 119.914 -0.232 0.000 2.326 52 V HA 0.556 4.676 4.120 -0.000 0.000 0.281 52 V C 1.098 177.113 176.094 -0.132 0.000 1.015 52 V CA 0.533 62.739 62.300 -0.157 0.000 0.823 52 V CB 0.122 31.834 31.823 -0.185 0.000 1.009 52 V HN 1.094 nan 8.190 nan 0.000 0.436 53 G N 5.354 114.103 108.800 -0.084 0.000 2.596 53 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.304 53 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.304 53 G C 0.954 175.813 174.900 -0.068 0.000 1.189 53 G CA 0.681 45.741 45.100 -0.067 0.000 0.986 53 G HN 1.454 nan 8.290 nan 0.000 0.548 54 S N 0.751 116.405 115.700 -0.076 0.000 2.614 54 S HA 0.419 4.889 4.470 -0.000 0.000 0.230 54 S C 0.339 174.874 174.600 -0.108 0.000 0.952 54 S CA 0.786 58.941 58.200 -0.074 0.000 0.949 54 S CB 0.312 63.476 63.200 -0.059 0.000 0.786 54 S HN 0.652 nan 8.310 nan 0.000 0.478 55 E N 3.717 123.825 120.200 -0.154 0.000 2.109 55 E HA 0.323 4.673 4.350 -0.000 0.000 0.278 55 E C -2.709 173.693 176.600 -0.330 0.000 0.954 55 E CA -2.326 53.945 56.400 -0.216 0.000 0.779 55 E CB 1.145 30.713 29.700 -0.219 0.000 1.093 55 E HN 0.331 nan 8.360 nan 0.000 0.401 56 P HA 0.182 nan 4.420 nan 0.000 0.282 56 P C -0.847 176.086 177.300 -0.610 0.000 1.249 56 P CA -0.469 62.381 63.100 -0.417 0.000 0.806 56 P CB 0.610 32.059 31.700 -0.419 0.000 0.984 57 F N 1.429 121.277 119.950 -0.170 0.000 2.412 57 F HA 0.201 4.728 4.527 -0.000 0.000 0.348 57 F C 1.474 177.213 175.800 -0.102 0.000 1.102 57 F CA 0.241 58.196 58.000 -0.075 0.000 1.196 57 F CB 0.272 39.339 39.000 0.110 0.000 1.144 57 F HN 0.316 nan 8.300 nan 0.000 0.541 58 Y N -0.491 120.067 120.300 0.429 0.000 2.479 58 Y HA 0.045 4.595 4.550 -0.000 0.000 0.283 58 Y C 1.194 177.295 175.900 0.336 0.000 1.109 58 Y CA 0.508 58.826 58.100 0.364 0.000 1.239 58 Y CB -0.197 38.499 38.460 0.394 0.000 1.108 58 Y HN 0.445 nan 8.280 nan 0.000 0.548 59 H N 0.179 119.442 119.070 0.323 0.000 2.533 59 H HA 0.120 4.676 4.556 -0.000 0.000 0.343 59 H C 0.855 176.136 175.328 -0.077 0.000 1.160 59 H CA -0.528 55.503 56.048 -0.028 0.000 1.218 59 H CB 2.112 31.821 29.762 -0.088 0.000 1.566 59 H HN 0.179 nan 8.280 nan 0.000 0.522 60 L N 3.367 124.081 121.223 -0.850 0.000 2.137 60 L HA -0.191 4.149 4.340 -0.000 0.000 0.213 60 L C 0.764 177.546 176.870 -0.147 0.000 1.085 60 L CA 1.805 56.312 54.840 -0.555 0.000 0.760 60 L CB -0.526 40.931 42.059 -1.004 0.000 0.893 60 L HN 0.459 nan 8.230 nan 0.000 0.434 61 F N -0.977 119.064 119.950 0.150 0.000 2.660 61 F HA 0.222 4.749 4.527 -0.000 0.000 0.297 61 F C 1.418 177.282 175.800 0.106 0.000 1.132 61 F CA -0.478 57.545 58.000 0.037 0.000 1.372 61 F CB -0.637 38.158 39.000 -0.341 0.000 1.003 61 F HN 0.115 nan 8.300 nan 0.000 0.524 62 D N -0.428 120.105 120.400 0.222 0.000 2.379 62 D HA 0.104 4.744 4.640 -0.000 0.000 0.218 62 D C 1.707 177.684 176.300 -0.538 0.000 1.006 62 D CA 0.406 54.413 54.000 0.012 0.000 0.893 62 D CB -0.141 40.784 40.800 0.209 0.000 1.019 62 D HN 0.168 nan 8.370 nan 0.000 0.503 63 G N 1.197 109.742 108.800 -0.426 0.000 2.559 63 G HA2 0.077 4.037 3.960 -0.000 0.000 0.235 63 G HA3 0.077 4.037 3.960 -0.000 0.000 0.235 63 G C 0.249 174.878 174.900 -0.450 0.000 1.266 63 G CA -0.307 44.378 45.100 -0.691 0.000 0.847 63 G HN -0.146 nan 8.290 nan 0.000 0.583 64 Q N 0.007 119.618 119.800 -0.314 0.000 2.332 64 Q HA 0.340 4.680 4.340 -0.000 0.000 0.263 64 Q C 0.681 176.738 176.000 0.096 0.000 0.979 64 Q CA -0.175 55.617 55.803 -0.019 0.000 0.885 64 Q CB 1.140 29.991 28.738 0.189 0.000 1.218 64 Q HN 0.691 nan 8.270 nan 0.000 0.405 65 A N 3.142 126.009 122.820 0.079 0.000 2.548 65 A HA 0.181 4.501 4.320 -0.000 0.000 0.247 65 A C -0.369 177.201 177.584 -0.024 0.000 1.067 65 A CA -0.092 51.972 52.037 0.045 0.000 0.757 65 A CB -0.092 18.934 19.000 0.044 0.000 0.996 65 A HN 0.520 nan 8.150 nan 0.000 0.504 66 L N 3.356 124.482 121.223 -0.162 0.000 2.385 66 L HA 0.671 5.011 4.340 -0.000 0.000 0.273 66 L C -1.026 175.597 176.870 -0.412 0.000 0.990 66 L CA -0.735 53.803 54.840 -0.503 0.000 0.821 66 L CB 1.792 43.422 42.059 -0.714 0.000 1.279 66 L HN 0.635 nan 8.230 nan 0.000 0.412 67 L N 5.408 126.337 121.223 -0.489 0.000 2.282 67 L HA 0.534 4.874 4.340 -0.000 0.000 0.288 67 L C -0.869 175.700 176.870 -0.502 0.000 1.033 67 L CA 0.106 54.746 54.840 -0.334 0.000 0.807 67 L CB 0.701 42.607 42.059 -0.255 0.000 1.209 67 L HN 0.587 nan 8.230 nan 0.000 0.423 68 H N 4.425 123.377 119.070 -0.196 0.000 2.492 68 H HA 0.465 5.021 4.556 -0.000 0.000 0.345 68 H C -0.984 174.253 175.328 -0.151 0.000 1.136 68 H CA -0.868 55.066 56.048 -0.190 0.000 1.202 68 H CB 2.264 32.022 29.762 -0.006 0.000 1.524 68 H HN 0.479 nan 8.280 nan 0.000 0.506 69 K N 2.857 123.172 120.400 -0.143 0.000 2.535 69 K HA 0.297 4.617 4.320 -0.000 0.000 0.250 69 K C -1.768 174.722 176.600 -0.184 0.000 0.948 69 K CA -0.527 55.706 56.287 -0.091 0.000 0.796 69 K CB 1.221 33.644 32.500 -0.128 0.000 1.216 69 K HN 0.264 nan 8.250 nan 0.000 0.432 70 F N 2.654 122.675 119.950 0.119 0.000 2.385 70 F HA 0.277 4.804 4.527 -0.000 0.000 0.360 70 F C 0.026 175.715 175.800 -0.184 0.000 1.122 70 F CA -0.475 57.502 58.000 -0.037 0.000 1.090 70 F CB 1.301 40.257 39.000 -0.075 0.000 1.150 70 F HN 0.417 nan 8.300 nan 0.000 0.472 71 D N 3.632 123.952 120.400 -0.134 0.000 2.198 71 D HA 0.330 4.970 4.640 -0.000 0.000 0.245 71 D C -0.850 175.271 176.300 -0.298 0.000 1.079 71 D CA 0.021 53.952 54.000 -0.114 0.000 0.854 71 D CB 0.888 41.646 40.800 -0.070 0.000 1.148 71 D HN 0.135 nan 8.370 nan 0.000 0.456 72 F N 1.755 121.775 119.950 0.117 0.000 2.426 72 F HA 0.420 4.946 4.527 -0.000 0.000 0.348 72 F C 0.634 176.474 175.800 0.067 0.000 1.124 72 F CA -0.823 57.236 58.000 0.098 0.000 1.008 72 F CB 1.535 40.606 39.000 0.120 0.000 1.139 72 F HN -0.078 nan 8.300 nan 0.000 0.452 73 K N 2.761 123.277 120.400 0.193 0.000 2.588 73 K HA 0.247 4.567 4.320 -0.000 0.000 0.250 73 K C -0.607 176.082 176.600 0.148 0.000 0.972 73 K CA -0.477 55.890 56.287 0.133 0.000 0.821 73 K CB 1.156 33.697 32.500 0.069 0.000 1.249 73 K HN 0.727 nan 8.250 nan 0.000 0.442 74 E N 2.184 122.456 120.200 0.119 0.000 2.328 74 E HA -0.270 4.080 4.350 -0.000 0.000 0.233 74 E C 0.462 177.163 176.600 0.168 0.000 1.219 74 E CA 1.055 57.532 56.400 0.130 0.000 0.717 74 E CB -1.302 28.475 29.700 0.129 0.000 1.210 74 E HN 1.113 nan 8.360 nan 0.000 0.381 75 G N -0.650 108.193 108.800 0.071 0.000 2.162 75 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.260 75 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.260 75 G C -0.128 174.683 174.900 -0.148 0.000 0.976 75 G CA 0.709 45.778 45.100 -0.053 0.000 0.655 75 G HN 0.513 nan 8.290 nan 0.000 0.533 76 H N -1.467 117.601 119.070 -0.002 0.000 2.616 76 H HA 0.747 5.303 4.556 -0.000 0.000 0.353 76 H C -0.218 175.080 175.328 -0.049 0.000 1.170 76 H CA -0.505 55.528 56.048 -0.026 0.000 1.212 76 H CB 2.241 31.987 29.762 -0.026 0.000 1.653 76 H HN 0.229 nan 8.280 nan 0.000 0.537 77 V N 1.610 121.544 119.914 0.034 0.000 2.760 77 V HA 0.439 4.559 4.120 -0.000 0.000 0.309 77 V C -0.293 175.783 176.094 -0.031 0.000 1.077 77 V CA -0.870 61.362 62.300 -0.114 0.000 0.910 77 V CB 1.890 33.605 31.823 -0.181 0.000 1.008 77 V HN 1.025 nan 8.190 nan 0.000 0.424 78 T N 1.039 115.556 114.554 -0.062 0.000 2.932 78 T HA 0.766 5.116 4.350 -0.000 0.000 0.289 78 T C -1.229 173.474 174.700 0.004 0.000 1.039 78 T CA -0.703 61.386 62.100 -0.018 0.000 1.024 78 T CB 2.143 70.971 68.868 -0.067 0.000 1.090 78 T HN 0.583 nan 8.240 nan 0.000 0.496 79 Y N 1.222 121.414 120.300 -0.180 0.000 2.446 79 Y HA 0.695 5.245 4.550 -0.000 0.000 0.345 79 Y C -0.975 174.801 175.900 -0.207 0.000 0.984 79 Y CA -1.099 56.769 58.100 -0.387 0.000 1.058 79 Y CB 1.691 39.907 38.460 -0.406 0.000 1.220 79 Y HN 1.090 nan 8.280 nan 0.000 0.455 80 H N 3.939 122.323 119.070 -1.144 0.000 3.046 80 H HA 0.714 5.270 4.556 -0.000 0.000 0.361 80 H C -1.604 173.135 175.328 -0.981 0.000 1.235 80 H CA -1.030 54.485 56.048 -0.888 0.000 1.146 80 H CB 1.564 31.046 29.762 -0.467 0.000 1.859 80 H HN 0.795 nan 8.280 nan 0.000 0.548 81 R N 2.692 122.594 120.500 -0.997 0.000 2.594 81 R HA 0.734 5.074 4.340 -0.000 0.000 0.265 81 R C -1.497 174.296 176.300 -0.844 0.000 1.070 81 R CA -1.203 54.344 56.100 -0.923 0.000 0.909 81 R CB 1.956 31.755 30.300 -0.834 0.000 1.243 81 R HN 0.324 nan 8.270 nan 0.000 0.455 82 R N 2.358 122.408 120.500 -0.748 0.000 2.604 82 R HA 0.364 4.704 4.340 -0.000 0.000 0.281 82 R C -1.113 174.868 176.300 -0.531 0.000 1.020 82 R CA -0.972 54.808 56.100 -0.533 0.000 0.899 82 R CB 1.363 31.407 30.300 -0.427 0.000 1.205 82 R HN 0.493 nan 8.270 nan 0.000 0.450 83 F N 2.377 122.092 119.950 -0.392 0.000 2.529 83 F HA 0.200 4.727 4.527 -0.000 0.000 0.365 83 F C 1.443 176.939 175.800 -0.507 0.000 1.102 83 F CA 0.161 57.846 58.000 -0.524 0.000 1.271 83 F CB 0.382 38.888 39.000 -0.823 0.000 1.120 83 F HN 0.244 nan 8.300 nan 0.000 0.579 84 I N 4.904 125.326 120.570 -0.247 0.000 2.556 84 I HA 0.103 4.273 4.170 -0.000 0.000 0.284 84 I C 0.494 176.494 176.117 -0.194 0.000 1.114 84 I CA -0.519 60.674 61.300 -0.178 0.000 1.418 84 I CB 0.468 38.411 38.000 -0.094 0.000 1.394 84 I HN 0.341 nan 8.210 nan 0.000 0.552 85 R N 4.809 125.257 120.500 -0.087 0.000 4.138 85 R HA 0.128 4.468 4.340 -0.000 0.000 0.206 85 R C 0.286 176.628 176.300 0.070 0.000 1.667 85 R CA -0.262 55.862 56.100 0.039 0.000 1.481 85 R CB -1.145 29.191 30.300 0.059 0.000 1.388 85 R HN 0.706 nan 8.270 nan 0.000 0.776 86 T N -2.819 111.787 114.554 0.087 0.000 2.766 86 T HA 0.070 4.420 4.350 -0.000 0.000 0.295 86 T C 0.984 175.736 174.700 0.086 0.000 1.024 86 T CA -0.608 61.536 62.100 0.073 0.000 1.018 86 T CB 1.167 70.087 68.868 0.087 0.000 1.002 86 T HN 0.135 nan 8.240 nan 0.000 0.532 87 D N 0.972 121.381 120.400 0.015 0.000 2.104 87 D HA -0.094 4.546 4.640 -0.000 0.000 0.194 87 D C 2.416 178.754 176.300 0.063 0.000 0.994 87 D CA 1.809 55.815 54.000 0.009 0.000 0.830 87 D CB -0.945 39.813 40.800 -0.070 0.000 0.959 87 D HN 0.754 nan 8.370 nan 0.000 0.452 88 A N 0.213 123.088 122.820 0.092 0.000 1.903 88 A HA -0.275 4.044 4.320 -0.000 0.000 0.219 88 A C 2.270 179.952 177.584 0.163 0.000 1.191 88 A CA 1.780 53.904 52.037 0.145 0.000 0.638 88 A CB -1.193 17.909 19.000 0.169 0.000 0.823 88 A HN 0.372 nan 8.150 nan 0.000 0.451 89 Y N 0.185 120.512 120.300 0.045 0.000 2.184 89 Y HA -0.111 4.439 4.550 -0.000 0.000 0.290 89 Y C 2.462 178.365 175.900 0.004 0.000 1.129 89 Y CA 1.839 59.950 58.100 0.019 0.000 1.144 89 Y CB -0.293 38.172 38.460 0.009 0.000 0.995 89 Y HN 0.059 nan 8.280 nan 0.000 0.513 90 V N 0.639 120.611 119.914 0.097 0.000 2.358 90 V HA -0.282 3.838 4.120 -0.000 0.000 0.246 90 V C 2.304 178.366 176.094 -0.054 0.000 1.047 90 V CA 2.250 64.558 62.300 0.013 0.000 1.035 90 V CB -0.543 31.324 31.823 0.073 0.000 0.658 90 V HN 0.323 nan 8.190 nan 0.000 0.452 91 R N 0.042 120.532 120.500 -0.015 0.000 2.115 91 R HA -0.015 4.325 4.340 -0.000 0.000 0.226 91 R C 2.423 178.700 176.300 -0.039 0.000 1.100 91 R CA 1.251 57.344 56.100 -0.011 0.000 0.980 91 R CB -0.523 29.793 30.300 0.027 0.000 0.875 91 R HN 0.523 nan 8.270 nan 0.000 0.445 92 A N 0.942 123.724 122.820 -0.064 0.000 1.902 92 A HA -0.151 4.169 4.320 -0.000 0.000 0.217 92 A C 2.044 179.521 177.584 -0.178 0.000 1.181 92 A CA 1.238 53.217 52.037 -0.096 0.000 0.623 92 A CB -0.231 18.722 19.000 -0.079 0.000 0.818 92 A HN 0.093 nan 8.150 nan 0.000 0.443 93 M N -0.496 118.932 119.600 -0.286 0.000 2.200 93 M HA -0.063 4.417 4.480 -0.000 0.000 0.265 93 M C 2.137 178.350 176.300 -0.145 0.000 1.066 93 M CA 1.821 56.956 55.300 -0.276 0.000 1.127 93 M CB -1.930 30.451 32.600 -0.365 0.000 1.379 93 M HN 0.412 nan 8.290 nan 0.000 0.420 94 T N 0.579 115.070 114.554 -0.105 0.000 2.770 94 T HA -0.078 4.272 4.350 -0.000 0.000 0.263 94 T C 1.679 176.352 174.700 -0.045 0.000 1.039 94 T CA 1.122 63.187 62.100 -0.059 0.000 1.142 94 T CB -0.022 68.824 68.868 -0.036 0.000 0.868 94 T HN 0.400 nan 8.240 nan 0.000 0.435 95 E N 0.973 121.149 120.200 -0.041 0.000 2.385 95 E HA 0.041 4.391 4.350 -0.000 0.000 0.194 95 E C 0.184 176.764 176.600 -0.032 0.000 1.013 95 E CA 0.187 56.573 56.400 -0.023 0.000 0.866 95 E CB 0.081 29.780 29.700 -0.002 0.000 0.832 95 E HN 0.494 nan 8.360 nan 0.000 0.500 96 K N 0.640 121.006 120.400 -0.056 0.000 3.125 96 K HA -0.226 4.094 4.320 -0.000 0.000 0.268 96 K C -0.020 176.544 176.600 -0.061 0.000 1.078 96 K CA 0.756 57.004 56.287 -0.066 0.000 0.775 96 K CB -1.715 30.753 32.500 -0.055 0.000 1.253 96 K HN 0.345 nan 8.250 nan 0.000 0.486 97 R N -1.474 118.993 120.500 -0.054 0.000 2.728 97 R HA 0.496 4.836 4.340 -0.000 0.000 0.274 97 R C -0.805 175.476 176.300 -0.032 0.000 1.030 97 R CA -1.221 54.850 56.100 -0.049 0.000 0.876 97 R CB 0.727 31.020 30.300 -0.011 0.000 1.259 97 R HN 0.021 nan 8.270 nan 0.000 0.468 98 I N 2.591 123.138 120.570 -0.038 0.000 2.421 98 I HA 0.031 4.201 4.170 -0.000 0.000 0.291 98 I C 0.692 176.880 176.117 0.118 0.000 1.089 98 I CA -0.269 61.046 61.300 0.026 0.000 1.354 98 I CB 1.322 39.294 38.000 -0.046 0.000 1.413 98 I HN 0.459 nan 8.210 nan 0.000 0.513 99 V N 6.942 126.941 119.914 0.142 0.000 2.788 99 V HA 0.128 4.248 4.120 -0.000 0.000 0.241 99 V C 0.783 176.994 176.094 0.196 0.000 1.083 99 V CA 0.702 63.088 62.300 0.143 0.000 1.103 99 V CB 0.266 32.151 31.823 0.102 0.000 0.800 99 V HN 0.486 nan 8.190 nan 0.000 0.476 100 I N 0.935 121.648 120.570 0.237 0.000 2.336 100 I HA 0.272 4.442 4.170 -0.000 0.000 0.292 100 I C 0.319 176.656 176.117 0.368 0.000 0.991 100 I CA 0.141 61.614 61.300 0.289 0.000 1.227 100 I CB 1.179 39.333 38.000 0.257 0.000 1.366 100 I HN 0.127 nan 8.210 nan 0.000 0.466 101 T N 6.551 121.358 114.554 0.422 0.000 2.902 101 T HA 0.107 4.457 4.350 -0.000 0.000 0.301 101 T C 0.436 175.483 174.700 0.578 0.000 1.012 101 T CA -0.137 62.254 62.100 0.485 0.000 1.151 101 T CB 0.660 69.833 68.868 0.508 0.000 0.946 101 T HN 0.384 nan 8.240 nan 0.000 0.542 102 E N 1.353 121.888 120.200 0.558 0.000 2.285 102 E HA 0.296 4.646 4.350 -0.000 0.000 0.254 102 E C 0.941 177.917 176.600 0.627 0.000 1.011 102 E CA -0.895 55.817 56.400 0.520 0.000 0.873 102 E CB 0.539 30.481 29.700 0.403 0.000 1.229 102 E HN 0.514 nan 8.360 nan 0.000 0.422 103 F N 1.262 121.407 119.950 0.325 0.000 2.063 103 F HA -0.169 4.358 4.527 -0.000 0.000 0.298 103 F C 1.533 177.537 175.800 0.339 0.000 1.109 103 F CA 2.517 60.705 58.000 0.313 0.000 1.212 103 F CB -0.075 39.014 39.000 0.148 0.000 0.973 103 F HN 0.497 nan 8.300 nan 0.000 0.480 104 G N -0.926 108.051 108.800 0.295 0.000 3.863 104 G HA2 0.324 4.284 3.960 -0.000 0.000 0.290 104 G HA3 0.324 4.284 3.960 -0.000 0.000 0.290 104 G C -0.720 174.453 174.900 0.456 0.000 1.018 104 G CA 0.254 45.486 45.100 0.220 0.000 0.824 104 G HN 0.227 nan 8.290 nan 0.000 0.507 105 T N 0.402 115.241 114.554 0.475 0.000 3.050 105 T HA 0.237 4.587 4.350 -0.000 0.000 0.310 105 T C -0.628 174.337 174.700 0.441 0.000 0.978 105 T CA -0.521 61.908 62.100 0.549 0.000 1.013 105 T CB 1.349 70.589 68.868 0.621 0.000 1.000 105 T HN 0.147 nan 8.240 nan 0.000 0.447 106 C N 3.952 123.475 119.300 0.372 0.000 2.593 106 C HA 0.776 5.236 4.460 -0.000 0.000 0.409 106 C C 1.130 176.314 174.990 0.323 0.000 1.304 106 C CA -0.347 58.863 59.018 0.320 0.000 2.007 106 C CB -1.386 26.505 27.740 0.251 0.000 2.614 106 C HN 1.019 nan 8.230 nan 0.000 0.585 107 A N 5.696 128.703 122.820 0.312 0.000 2.388 107 A HA 0.555 4.875 4.320 -0.000 0.000 0.257 107 A C -0.468 177.264 177.584 0.246 0.000 1.095 107 A CA -0.313 51.888 52.037 0.273 0.000 0.791 107 A CB 0.185 19.342 19.000 0.261 0.000 1.029 107 A HN 0.990 nan 8.150 nan 0.000 0.489 128 V N 2.196 122.251 119.914 0.236 0.000 2.614 128 V HA 0.173 4.293 4.120 -0.000 0.000 0.291 128 V C 0.819 177.173 176.094 0.434 0.000 1.049 128 V CA 0.010 62.511 62.300 0.336 0.000 1.038 128 V CB 1.479 33.469 31.823 0.278 0.000 0.980 128 V HN 0.709 nan 8.190 nan 0.000 0.481 129 T N 2.871 117.674 114.554 0.415 0.000 2.916 129 T HA 0.039 4.389 4.350 -0.000 0.000 0.303 129 T C 0.601 175.493 174.700 0.320 0.000 1.025 129 T CA -0.091 62.199 62.100 0.316 0.000 1.142 129 T CB 0.150 69.180 68.868 0.270 0.000 0.947 129 T HN 0.959 nan 8.240 nan 0.000 0.544 130 D N 2.968 123.498 120.400 0.217 0.000 2.501 130 D HA 0.029 4.669 4.640 -0.000 0.000 0.226 130 D C 0.288 176.675 176.300 0.145 0.000 1.198 130 D CA -0.452 53.666 54.000 0.197 0.000 0.830 130 D CB -0.447 40.335 40.800 -0.030 0.000 1.014 130 D HN 0.402 nan 8.370 nan 0.000 0.496 131 N N 1.406 120.191 118.700 0.143 0.000 2.410 131 N HA 0.117 4.857 4.740 -0.000 0.000 0.281 131 N C -0.187 175.390 175.510 0.112 0.000 1.241 131 N CA -0.103 53.017 53.050 0.117 0.000 0.998 131 N CB 0.408 38.956 38.487 0.102 0.000 1.376 131 N HN 0.198 nan 8.380 nan 0.000 0.490 132 A N 4.596 127.480 122.820 0.106 0.000 3.077 132 A HA 0.145 4.465 4.320 -0.000 0.000 0.255 132 A C 1.430 179.085 177.584 0.119 0.000 1.728 132 A CA -0.474 51.630 52.037 0.112 0.000 1.383 132 A CB -0.996 18.064 19.000 0.100 0.000 1.097 132 A HN 0.838 nan 8.150 nan 0.000 0.634 133 L N -2.187 119.126 121.223 0.150 0.000 2.592 133 L HA 0.187 4.527 4.340 -0.000 0.000 0.227 133 L C 0.916 177.993 176.870 0.345 0.000 1.127 133 L CA 0.357 55.326 54.840 0.215 0.000 0.884 133 L CB -0.157 42.051 42.059 0.248 0.000 1.065 133 L HN 0.145 nan 8.230 nan 0.000 0.457 134 V N 0.009 120.087 119.914 0.273 0.000 2.436 134 V HA 0.184 4.304 4.120 -0.000 0.000 0.240 134 V C 0.656 176.965 176.094 0.358 0.000 1.040 134 V CA 0.959 63.451 62.300 0.320 0.000 1.052 134 V CB -0.442 31.455 31.823 0.123 0.000 0.707 134 V HN 0.580 nan 8.190 nan 0.000 0.469 135 N N -1.788 117.057 118.700 0.242 0.000 2.934 135 N HA 0.514 5.254 4.740 -0.000 0.000 0.253 135 N C -1.771 173.868 175.510 0.216 0.000 1.466 135 N CA -0.494 52.699 53.050 0.238 0.000 0.858 135 N CB 2.489 41.044 38.487 0.114 0.000 1.459 135 N HN 0.183 nan 8.380 nan 0.000 0.532 136 I N 1.398 122.110 120.570 0.237 0.000 2.619 136 I HA 0.615 4.785 4.170 -0.000 0.000 0.292 136 I C -1.667 174.643 176.117 0.322 0.000 1.100 136 I CA -0.668 60.758 61.300 0.209 0.000 1.043 136 I CB 1.325 39.418 38.000 0.156 0.000 1.239 136 I HN 0.644 nan 8.210 nan 0.000 0.420 137 Y N 5.216 125.632 120.300 0.194 0.000 2.609 137 Y HA 0.778 5.328 4.550 -0.000 0.000 0.336 137 Y C -3.103 172.831 175.900 0.057 0.000 1.129 137 Y CA -2.691 55.493 58.100 0.140 0.000 1.040 137 Y CB 0.983 39.483 38.460 0.066 0.000 1.310 137 Y HN 0.257 nan 8.280 nan 0.000 0.460 138 P HA 0.290 nan 4.420 nan 0.000 0.280 138 P C -1.041 176.262 177.300 0.005 0.000 1.244 138 P CA -0.253 62.642 63.100 -0.342 0.000 0.784 138 P CB 2.155 33.611 31.700 -0.407 0.000 0.913 139 V N 3.105 123.010 119.914 -0.016 0.000 2.443 139 V HA 0.569 4.689 4.120 -0.000 0.000 0.293 139 V C 1.057 177.156 176.094 0.009 0.000 1.021 139 V CA 0.397 62.742 62.300 0.075 0.000 0.848 139 V CB 0.628 32.548 31.823 0.161 0.000 0.998 139 V HN 1.040 nan 8.190 nan 0.000 0.424 140 G N 4.900 113.694 108.800 -0.010 0.000 2.583 140 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.292 140 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.292 140 G C 0.503 175.371 174.900 -0.052 0.000 1.203 140 G CA 0.771 45.860 45.100 -0.017 0.000 0.987 140 G HN 0.724 nan 8.290 nan 0.000 0.554 141 E N 1.551 121.729 120.200 -0.036 0.000 2.465 141 E HA 0.172 4.521 4.350 -0.000 0.000 0.191 141 E C -0.217 176.352 176.600 -0.051 0.000 1.053 141 E CA 0.167 56.548 56.400 -0.031 0.000 0.869 141 E CB 0.162 29.864 29.700 0.004 0.000 0.977 141 E HN 0.439 nan 8.360 nan 0.000 0.483 142 D N -0.380 119.950 120.400 -0.117 0.000 2.326 142 D HA 0.275 4.915 4.640 -0.000 0.000 0.248 142 D C -0.670 175.430 176.300 -0.334 0.000 1.001 142 D CA -0.325 53.582 54.000 -0.155 0.000 0.961 142 D CB 1.170 41.857 40.800 -0.188 0.000 1.183 142 D HN -0.079 nan 8.370 nan 0.000 0.502 143 Y N -0.103 120.012 120.300 -0.308 0.000 2.425 143 Y HA 0.368 4.918 4.550 -0.000 0.000 0.344 143 Y C -0.776 174.820 175.900 -0.507 0.000 0.969 143 Y CA -0.848 57.094 58.100 -0.264 0.000 1.052 143 Y CB 1.677 40.042 38.460 -0.157 0.000 1.215 143 Y HN 0.203 nan 8.280 nan 0.000 0.451 144 Y N 1.392 121.577 120.300 -0.192 0.000 2.361 144 Y HA 0.665 5.215 4.550 -0.000 0.000 0.337 144 Y C 0.078 175.825 175.900 -0.255 0.000 0.965 144 Y CA -1.168 56.761 58.100 -0.284 0.000 1.091 144 Y CB 1.666 39.818 38.460 -0.513 0.000 1.182 144 Y HN 0.696 nan 8.280 nan 0.000 0.450 145 A N 2.550 125.386 122.820 0.027 0.000 2.340 145 A HA 0.693 5.013 4.320 -0.000 0.000 0.268 145 A C -0.140 177.503 177.584 0.098 0.000 1.100 145 A CA -0.244 51.829 52.037 0.059 0.000 0.803 145 A CB -0.169 18.859 19.000 0.047 0.000 1.043 145 A HN 0.996 nan 8.150 nan 0.000 0.488 146 C N -0.050 119.329 119.300 0.133 0.000 3.171 146 C HA 0.932 5.392 4.460 -0.000 0.000 0.308 146 C C 0.340 175.410 174.990 0.134 0.000 1.334 146 C CA 0.181 59.292 59.018 0.156 0.000 1.473 146 C CB 0.903 28.784 27.740 0.235 0.000 1.866 146 C HN 1.124 nan 8.230 nan 0.000 0.465 147 T N -0.819 113.806 114.554 0.119 0.000 2.628 147 T HA 0.481 4.831 4.350 -0.000 0.000 0.223 147 T C 0.217 174.952 174.700 0.059 0.000 0.959 147 T CA 0.017 62.165 62.100 0.079 0.000 1.113 147 T CB 0.827 69.743 68.868 0.081 0.000 2.140 147 T HN 0.844 nan 8.240 nan 0.000 0.516 148 E N 1.114 121.348 120.200 0.056 0.000 2.624 148 E HA 0.223 4.573 4.350 -0.000 0.000 0.210 148 E C 0.165 176.810 176.600 0.075 0.000 0.997 148 E CA -0.271 56.170 56.400 0.068 0.000 0.999 148 E CB 0.823 30.599 29.700 0.128 0.000 1.040 148 E HN 0.672 nan 8.360 nan 0.000 0.469 149 T N -1.281 113.314 114.554 0.068 0.000 2.893 149 T HA 0.083 4.433 4.350 -0.000 0.000 0.281 149 T C 1.221 175.906 174.700 -0.024 0.000 1.027 149 T CA -0.651 61.472 62.100 0.039 0.000 0.953 149 T CB 0.745 69.664 68.868 0.085 0.000 1.434 149 T HN -0.009 nan 8.240 nan 0.000 0.597 150 N N -0.525 118.072 118.700 -0.171 0.000 2.512 150 N HA -0.006 4.734 4.740 -0.000 0.000 0.183 150 N C -0.502 174.834 175.510 -0.291 0.000 1.073 150 N CA 0.270 53.148 53.050 -0.287 0.000 0.911 150 N CB -0.424 37.791 38.487 -0.453 0.000 0.964 150 N HN 0.474 nan 8.380 nan 0.000 0.447 151 F N 2.391 122.381 119.950 0.067 0.000 2.405 151 F HA 0.480 5.007 4.527 -0.000 0.000 0.355 151 F C 0.763 176.608 175.800 0.076 0.000 1.121 151 F CA -1.440 56.605 58.000 0.074 0.000 1.112 151 F CB 0.925 39.974 39.000 0.082 0.000 1.126 151 F HN -0.083 nan 8.300 nan 0.000 0.481 152 I N -0.568 120.161 120.570 0.264 0.000 2.603 152 I HA 0.714 4.884 4.170 -0.000 0.000 0.300 152 I C -0.748 175.525 176.117 0.260 0.000 1.017 152 I CA -0.633 60.785 61.300 0.198 0.000 1.098 152 I CB 2.273 40.307 38.000 0.058 0.000 1.279 152 I HN 0.294 nan 8.210 nan 0.000 0.437 153 T N 4.001 118.699 114.554 0.240 0.000 2.772 153 T HA 0.259 4.609 4.350 -0.000 0.000 0.288 153 T C -0.193 174.584 174.700 0.128 0.000 0.994 153 T CA -0.560 61.648 62.100 0.180 0.000 0.951 153 T CB 1.007 69.930 68.868 0.091 0.000 0.933 153 T HN 0.561 nan 8.240 nan 0.000 0.447 154 K N 3.445 123.865 120.400 0.033 0.000 2.416 154 K HA 0.347 4.667 4.320 -0.000 0.000 0.283 154 K C -0.088 176.394 176.600 -0.196 0.000 1.037 154 K CA -0.311 55.765 56.287 -0.352 0.000 0.995 154 K CB 0.187 32.484 32.500 -0.338 0.000 0.938 154 K HN 0.518 nan 8.250 nan 0.000 0.475 155 V N 1.272 121.059 119.914 -0.212 0.000 2.914 155 V HA 0.390 4.510 4.120 -0.000 0.000 0.314 155 V C -0.506 175.514 176.094 -0.124 0.000 1.084 155 V CA -1.277 60.943 62.300 -0.134 0.000 0.963 155 V CB 1.774 33.531 31.823 -0.109 0.000 1.025 155 V HN 0.756 nan 8.190 nan 0.000 0.432 156 N N 4.431 123.064 118.700 -0.111 0.000 2.411 156 N HA 0.338 5.078 4.740 -0.000 0.000 0.259 156 N C -1.597 173.826 175.510 -0.145 0.000 1.103 156 N CA -1.762 51.225 53.050 -0.104 0.000 0.954 156 N CB 1.822 40.259 38.487 -0.083 0.000 1.085 156 N HN 0.616 nan 8.380 nan 0.000 0.485 157 P HA -0.001 nan 4.420 nan 0.000 0.233 157 P C 0.199 177.371 177.300 -0.213 0.000 1.167 157 P CA 0.954 63.873 63.100 -0.302 0.000 0.770 157 P CB 0.723 32.065 31.700 -0.597 0.000 0.837 158 E N -0.112 119.999 120.200 -0.149 0.000 2.075 158 E HA -0.056 4.293 4.350 -0.000 0.000 0.190 158 E C 2.024 178.579 176.600 -0.075 0.000 0.969 158 E CA 1.841 58.178 56.400 -0.106 0.000 0.815 158 E CB -0.829 28.822 29.700 -0.081 0.000 0.776 158 E HN 0.307 nan 8.360 nan 0.000 0.457 159 T N -1.795 112.719 114.554 -0.067 0.000 3.037 159 T HA 0.185 4.535 4.350 -0.000 0.000 0.251 159 T C 1.015 175.687 174.700 -0.047 0.000 1.079 159 T CA -0.002 62.080 62.100 -0.029 0.000 1.067 159 T CB 0.014 68.863 68.868 -0.033 0.000 0.948 159 T HN 0.160 nan 8.240 nan 0.000 0.496 160 L N -0.337 120.816 121.223 -0.116 0.000 4.759 160 L HA -0.171 4.169 4.340 -0.000 0.000 0.419 160 L C -0.124 176.651 176.870 -0.159 0.000 1.093 160 L CA 0.286 55.015 54.840 -0.185 0.000 1.037 160 L CB -2.427 39.438 42.059 -0.323 0.000 2.095 160 L HN 0.447 nan 8.230 nan 0.000 0.739 161 E N 0.340 120.476 120.200 -0.107 0.000 2.390 161 E HA 0.253 4.603 4.350 -0.000 0.000 0.261 161 E C 0.505 177.054 176.600 -0.085 0.000 1.076 161 E CA 0.078 56.428 56.400 -0.083 0.000 0.905 161 E CB 0.613 30.280 29.700 -0.055 0.000 0.984 161 E HN 0.011 nan 8.360 nan 0.000 0.427 162 T N 2.608 117.122 114.554 -0.068 0.000 2.771 162 T HA 0.234 4.584 4.350 -0.000 0.000 0.291 162 T C 1.016 175.692 174.700 -0.041 0.000 0.954 162 T CA -0.265 61.801 62.100 -0.057 0.000 1.045 162 T CB 0.467 69.310 68.868 -0.041 0.000 0.917 162 T HN 0.363 nan 8.240 nan 0.000 0.484 163 I N 1.800 122.342 120.570 -0.047 0.000 2.681 163 I HA 0.235 4.405 4.170 -0.000 0.000 0.247 163 I C 0.936 177.048 176.117 -0.009 0.000 1.091 163 I CA 0.280 61.559 61.300 -0.036 0.000 1.442 163 I CB 0.214 38.176 38.000 -0.062 0.000 1.219 163 I HN 0.570 nan 8.210 nan 0.000 0.451 164 K N 0.428 120.831 120.400 0.005 0.000 2.607 164 K HA 0.358 4.678 4.320 -0.000 0.000 0.287 164 K C -1.204 175.445 176.600 0.081 0.000 0.996 164 K CA -0.831 55.483 56.287 0.043 0.000 0.876 164 K CB 1.618 34.155 32.500 0.062 0.000 1.496 164 K HN -0.135 nan 8.250 nan 0.000 0.415 165 Q N 1.652 121.505 119.800 0.087 0.000 2.243 165 Q HA 0.415 4.755 4.340 -0.000 0.000 0.252 165 Q C -1.398 174.717 176.000 0.193 0.000 0.909 165 Q CA -0.858 55.016 55.803 0.118 0.000 0.922 165 Q CB 1.754 30.505 28.738 0.022 0.000 1.215 165 Q HN 0.472 nan 8.270 nan 0.000 0.427 166 V N 3.752 123.825 119.914 0.265 0.000 2.540 166 V HA 0.192 4.312 4.120 -0.000 0.000 0.302 166 V C -0.765 175.534 176.094 0.341 0.000 1.035 166 V CA -0.730 61.741 62.300 0.285 0.000 0.873 166 V CB 1.918 33.880 31.823 0.232 0.000 0.992 166 V HN 0.771 nan 8.190 nan 0.000 0.428 167 D N 4.009 124.610 120.400 0.334 0.000 2.412 167 D HA 0.324 4.964 4.640 -0.000 0.000 0.224 167 D C 0.925 177.308 176.300 0.138 0.000 1.093 167 D CA -0.228 53.907 54.000 0.225 0.000 0.850 167 D CB 1.522 42.469 40.800 0.244 0.000 1.046 167 D HN 0.413 nan 8.370 nan 0.000 0.507 168 L N 2.372 123.631 121.223 0.061 0.000 2.265 168 L HA -0.152 4.188 4.340 -0.000 0.000 0.215 168 L C 2.297 179.209 176.870 0.069 0.000 1.117 168 L CA 0.507 55.412 54.840 0.108 0.000 0.782 168 L CB -0.202 41.864 42.059 0.011 0.000 0.914 168 L HN 0.516 nan 8.230 nan 0.000 0.441 169 C N -0.027 119.246 119.300 -0.046 0.000 2.419 169 C HA -0.116 4.344 4.460 -0.000 0.000 0.281 169 C C 2.482 177.415 174.990 -0.095 0.000 1.336 169 C CA 0.482 59.460 59.018 -0.068 0.000 1.770 169 C CB -1.254 26.425 27.740 -0.103 0.000 1.929 169 C HN 0.594 nan 8.230 nan 0.000 0.509 170 N N 0.256 118.852 118.700 -0.172 0.000 2.205 170 N HA -0.111 4.629 4.740 -0.000 0.000 0.186 170 N C 1.183 176.405 175.510 -0.480 0.000 1.015 170 N CA 1.587 54.398 53.050 -0.397 0.000 0.862 170 N CB -0.314 37.782 38.487 -0.650 0.000 0.986 170 N HN 0.653 nan 8.380 nan 0.000 0.429 171 Y N -0.742 119.542 120.300 -0.027 0.000 2.506 171 Y HA 0.250 4.800 4.550 -0.000 0.000 0.287 171 Y C 0.960 176.838 175.900 -0.037 0.000 1.147 171 Y CA -0.281 57.801 58.100 -0.030 0.000 1.241 171 Y CB 0.189 38.629 38.460 -0.034 0.000 1.279 171 Y HN -0.186 nan 8.280 nan 0.000 0.527 172 V N -3.371 116.606 119.914 0.105 0.000 3.040 172 V HA 0.514 4.634 4.120 -0.000 0.000 0.312 172 V C -0.048 176.045 176.094 -0.002 0.000 1.115 172 V CA -1.304 61.016 62.300 0.034 0.000 0.998 172 V CB 1.795 33.627 31.823 0.016 0.000 1.042 172 V HN -0.096 nan 8.190 nan 0.000 0.433 173 S N 1.925 117.616 115.700 -0.016 0.000 3.919 173 S HA 0.544 5.014 4.470 -0.000 0.000 0.245 173 S C -0.272 174.298 174.600 -0.049 0.000 1.344 173 S CA -0.092 58.096 58.200 -0.020 0.000 0.896 173 S CB -1.305 61.887 63.200 -0.013 0.000 1.557 173 S HN 1.431 nan 8.310 nan 0.000 0.468 174 V N 2.067 121.945 119.914 -0.059 0.000 3.007 174 V HA 0.603 4.723 4.120 -0.000 0.000 0.311 174 V C 0.359 176.392 176.094 -0.101 0.000 1.120 174 V CA -1.083 61.158 62.300 -0.099 0.000 0.980 174 V CB 1.914 33.685 31.823 -0.087 0.000 1.033 174 V HN 0.331 nan 8.190 nan 0.000 0.429 175 N N 1.406 120.021 118.700 -0.141 0.000 2.395 175 N HA 0.317 5.057 4.740 -0.000 0.000 0.175 175 N C 0.579 176.036 175.510 -0.088 0.000 1.029 175 N CA 1.405 54.384 53.050 -0.117 0.000 0.897 175 N CB 0.860 39.245 38.487 -0.170 0.000 0.991 175 N HN 1.091 nan 8.380 nan 0.000 0.441 176 G N -1.188 107.568 108.800 -0.073 0.000 2.634 176 G HA2 0.707 4.667 3.960 -0.000 0.000 0.309 176 G HA3 0.707 4.667 3.960 -0.000 0.000 0.309 176 G C -1.971 172.908 174.900 -0.036 0.000 1.299 176 G CA 0.019 45.093 45.100 -0.042 0.000 0.798 176 G HN 0.224 nan 8.290 nan 0.000 0.490 177 A N -0.446 122.366 122.820 -0.013 0.000 2.547 177 A HA 0.833 5.153 4.320 -0.000 0.000 0.297 177 A C 0.169 177.749 177.584 -0.007 0.000 1.056 177 A CA 0.323 52.348 52.037 -0.020 0.000 0.688 177 A CB 0.914 19.902 19.000 -0.019 0.000 1.282 177 A HN 2.151 nan 8.150 nan 0.000 0.400 178 T N -0.577 113.963 114.554 -0.023 0.000 2.734 178 T HA 0.420 4.770 4.350 -0.000 0.000 0.314 178 T C 1.101 175.747 174.700 -0.090 0.000 1.057 178 T CA 0.428 62.498 62.100 -0.050 0.000 1.047 178 T CB 0.805 69.662 68.868 -0.019 0.000 0.991 178 T HN 1.838 nan 8.240 nan 0.000 0.540 179 A N 0.478 123.176 122.820 -0.204 0.000 2.278 179 A HA 0.159 4.479 4.320 -0.000 0.000 0.212 179 A C 0.864 178.110 177.584 -0.562 0.000 1.213 179 A CA -0.075 51.789 52.037 -0.288 0.000 0.840 179 A CB -0.491 18.324 19.000 -0.308 0.000 0.866 179 A HN 0.902 nan 8.150 nan 0.000 0.489 180 H N 0.669 119.611 119.070 -0.213 0.000 2.386 180 H HA 0.224 4.780 4.556 -0.000 0.000 0.232 180 H C -2.794 172.376 175.328 -0.263 0.000 1.416 180 H CA -1.902 53.984 56.048 -0.270 0.000 1.285 180 H CB 0.164 29.773 29.762 -0.255 0.000 1.625 180 H HN 0.354 nan 8.280 nan 0.000 0.521 181 P HA -0.003 nan 4.420 nan 0.000 0.269 181 P C 0.176 177.339 177.300 -0.228 0.000 1.215 181 P CA 0.154 63.141 63.100 -0.189 0.000 0.780 181 P CB 1.372 32.724 31.700 -0.579 0.000 0.898 182 H N 1.949 121.052 119.070 0.055 0.000 2.473 182 H HA 0.369 4.925 4.556 -0.000 0.000 0.327 182 H C 0.038 175.480 175.328 0.190 0.000 1.105 182 H CA -0.212 55.888 56.048 0.086 0.000 1.280 182 H CB 1.057 30.828 29.762 0.015 0.000 1.450 182 H HN 0.264 nan 8.280 nan 0.000 0.492 183 I N 3.018 123.805 120.570 0.361 0.000 2.410 183 I HA 0.182 4.352 4.170 -0.000 0.000 0.286 183 I C 0.531 176.857 176.117 0.348 0.000 1.009 183 I CA -0.550 60.931 61.300 0.302 0.000 1.111 183 I CB 1.634 39.764 38.000 0.217 0.000 1.262 183 I HN 0.465 nan 8.210 nan 0.000 0.443 184 E N 4.097 124.456 120.200 0.264 0.000 2.371 184 E HA 0.155 4.505 4.350 -0.000 0.000 0.257 184 E C 0.577 177.264 176.600 0.144 0.000 1.134 184 E CA -0.537 55.971 56.400 0.180 0.000 0.919 184 E CB 0.987 30.789 29.700 0.170 0.000 1.025 184 E HN 0.395 nan 8.360 nan 0.000 0.438 185 N N 1.714 120.471 118.700 0.094 0.000 2.192 185 N HA -0.176 4.564 4.740 -0.000 0.000 0.188 185 N C 0.978 176.534 175.510 0.077 0.000 1.013 185 N CA 1.342 54.441 53.050 0.082 0.000 0.863 185 N CB -0.268 38.246 38.487 0.045 0.000 0.990 185 N HN 0.520 nan 8.380 nan 0.000 0.430 186 D N -1.246 119.196 120.400 0.069 0.000 2.349 186 D HA 0.088 4.728 4.640 -0.000 0.000 0.224 186 D C 1.240 177.575 176.300 0.058 0.000 1.029 186 D CA 0.756 54.790 54.000 0.056 0.000 0.879 186 D CB -0.331 40.496 40.800 0.045 0.000 0.906 186 D HN 0.277 nan 8.370 nan 0.000 0.528 187 G N -0.596 108.251 108.800 0.078 0.000 2.213 187 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.236 187 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.236 187 G C 0.464 175.404 174.900 0.067 0.000 0.991 187 G CA 0.141 45.283 45.100 0.070 0.000 0.629 187 G HN 0.450 nan 8.290 nan 0.000 0.517 188 T N 1.302 115.897 114.554 0.069 0.000 2.908 188 T HA 0.410 4.760 4.350 -0.000 0.000 0.301 188 T C 0.417 175.162 174.700 0.074 0.000 1.019 188 T CA 0.586 62.708 62.100 0.037 0.000 1.152 188 T CB 2.011 70.911 68.868 0.052 0.000 0.966 188 T HN 0.667 nan 8.240 nan 0.000 0.540 189 V N 4.234 124.140 119.914 -0.014 0.000 2.495 189 V HA 0.432 4.552 4.120 -0.000 0.000 0.298 189 V C -0.898 175.165 176.094 -0.053 0.000 1.031 189 V CA -0.945 61.381 62.300 0.043 0.000 0.871 189 V CB 0.975 32.820 31.823 0.037 0.000 0.988 189 V HN 0.764 nan 8.190 nan 0.000 0.432 190 Y N 3.276 123.664 120.300 0.147 0.000 2.377 190 Y HA 0.655 5.205 4.550 -0.000 0.000 0.339 190 Y C 0.386 176.447 175.900 0.268 0.000 1.011 190 Y CA -0.358 57.865 58.100 0.204 0.000 1.093 190 Y CB 2.017 40.679 38.460 0.337 0.000 1.201 190 Y HN 0.653 nan 8.280 nan 0.000 0.455 191 N N 1.641 120.474 118.700 0.220 0.000 2.732 191 N HA 0.512 5.251 4.740 -0.000 0.000 0.259 191 N C -2.009 173.352 175.510 -0.248 0.000 1.402 191 N CA -0.605 52.486 53.050 0.069 0.000 0.829 191 N CB 2.220 40.714 38.487 0.012 0.000 1.495 191 N HN 0.721 nan 8.380 nan 0.000 0.511 192 I N -0.085 120.285 120.570 -0.333 0.000 2.689 192 I HA 0.808 4.978 4.170 -0.000 0.000 0.299 192 I C -0.271 175.743 176.117 -0.173 0.000 1.059 192 I CA -0.485 60.603 61.300 -0.353 0.000 1.055 192 I CB 1.861 39.505 38.000 -0.593 0.000 1.243 192 I HN 0.591 nan 8.210 nan 0.000 0.425 193 G N 3.907 112.627 108.800 -0.134 0.000 2.704 193 G HA2 0.321 4.281 3.960 -0.000 0.000 0.293 193 G HA3 0.321 4.281 3.960 -0.000 0.000 0.293 193 G C -1.725 173.130 174.900 -0.075 0.000 1.421 193 G CA -0.945 44.107 45.100 -0.079 0.000 0.870 193 G HN 0.786 nan 8.290 nan 0.000 0.492 194 N N -1.556 117.100 118.700 -0.074 0.000 2.424 194 N HA 0.599 5.339 4.740 -0.000 0.000 0.257 194 N C -0.053 175.260 175.510 -0.328 0.000 1.250 194 N CA -0.250 52.664 53.050 -0.226 0.000 0.946 194 N CB 1.704 40.037 38.487 -0.257 0.000 1.175 194 N HN 0.821 nan 8.380 nan 0.000 0.477 195 C N -0.808 118.207 119.300 -0.476 0.000 3.272 195 C HA 0.530 4.990 4.460 -0.000 0.000 0.363 195 C C -1.303 173.262 174.990 -0.708 0.000 1.514 195 C CA -0.959 57.714 59.018 -0.575 0.000 1.185 195 C CB -0.107 27.460 27.740 -0.289 0.000 1.716 195 C HN 0.775 nan 8.230 nan 0.000 0.440 196 F N 1.738 121.624 119.950 -0.106 0.000 2.925 196 F HA 0.373 4.900 4.527 -0.000 0.000 0.302 196 F C 1.589 177.326 175.800 -0.106 0.000 1.189 196 F CA 0.323 58.264 58.000 -0.097 0.000 1.346 196 F CB -0.185 38.773 39.000 -0.071 0.000 0.954 196 F HN 0.768 nan 8.300 nan 0.000 0.506 197 G N 0.560 109.342 108.800 -0.030 0.000 2.480 197 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.216 197 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.216 197 G C 0.994 175.868 174.900 -0.044 0.000 1.200 197 G CA 0.173 45.248 45.100 -0.042 0.000 0.782 197 G HN 0.310 nan 8.290 nan 0.000 0.554 198 K N 0.667 121.032 120.400 -0.059 0.000 2.397 198 K HA 0.005 4.325 4.320 -0.000 0.000 0.265 198 K C -0.120 176.436 176.600 -0.073 0.000 0.982 198 K CA -0.459 55.793 56.287 -0.059 0.000 0.931 198 K CB 0.148 32.615 32.500 -0.054 0.000 0.943 198 K HN 0.152 nan 8.250 nan 0.000 0.501 199 N N 1.823 120.454 118.700 -0.115 0.000 2.492 199 N HA 0.007 4.747 4.740 -0.000 0.000 0.262 199 N C -0.645 174.774 175.510 -0.152 0.000 1.202 199 N CA 0.378 53.251 53.050 -0.294 0.000 0.926 199 N CB -0.224 38.033 38.487 -0.383 0.000 1.078 199 N HN 0.607 nan 8.380 nan 0.000 0.454 200 F N -0.718 119.236 119.950 0.006 0.000 3.048 200 F HA -0.274 4.253 4.527 -0.000 0.000 0.287 200 F C 0.581 176.361 175.800 -0.033 0.000 0.796 200 F CA 0.903 58.911 58.000 0.013 0.000 1.111 200 F CB -1.996 37.008 39.000 0.008 0.000 1.320 200 F HN 0.334 nan 8.300 nan 0.000 0.430 201 S N -0.745 115.005 115.700 0.083 0.000 2.547 201 S HA 0.665 5.135 4.470 -0.000 0.000 0.270 201 S C -0.559 174.028 174.600 -0.022 0.000 1.150 201 S CA -0.940 57.245 58.200 -0.025 0.000 0.850 201 S CB 1.195 64.358 63.200 -0.063 0.000 1.118 201 S HN 0.105 nan 8.310 nan 0.000 0.461 202 I N 3.001 123.515 120.570 -0.094 0.000 2.634 202 I HA 0.503 4.673 4.170 -0.000 0.000 0.284 202 I C 0.727 176.667 176.117 -0.295 0.000 1.124 202 I CA 0.257 61.438 61.300 -0.200 0.000 1.417 202 I CB 0.772 38.636 38.000 -0.226 0.000 1.396 202 I HN 0.827 nan 8.210 nan 0.000 0.571 203 A N 6.703 129.283 122.820 -0.400 0.000 2.583 203 A HA 0.773 5.093 4.320 -0.000 0.000 0.289 203 A C -1.870 175.368 177.584 -0.575 0.000 1.151 203 A CA -0.511 51.277 52.037 -0.415 0.000 0.695 203 A CB 1.361 20.235 19.000 -0.209 0.000 1.290 203 A HN 0.505 nan 8.150 nan 0.000 0.419 204 Y N 0.692 120.870 120.300 -0.202 0.000 2.350 204 Y HA 0.512 5.062 4.550 -0.000 0.000 0.338 204 Y C -0.044 175.740 175.900 -0.194 0.000 0.961 204 Y CA -0.897 57.041 58.100 -0.269 0.000 1.100 204 Y CB 1.804 39.952 38.460 -0.521 0.000 1.179 204 Y HN 0.563 nan 8.280 nan 0.000 0.454 205 N N 3.071 121.737 118.700 -0.057 0.000 2.400 205 N HA 0.373 5.113 4.740 -0.000 0.000 0.288 205 N C -0.980 174.479 175.510 -0.084 0.000 1.024 205 N CA -0.547 52.459 53.050 -0.073 0.000 0.894 205 N CB 1.504 39.937 38.487 -0.090 0.000 1.173 205 N HN 0.490 nan 8.380 nan 0.000 0.487 206 I N 2.749 123.280 120.570 -0.065 0.000 2.379 206 I HA 0.162 4.332 4.170 -0.000 0.000 0.290 206 I C 0.151 176.246 176.117 -0.036 0.000 1.063 206 I CA -0.403 60.861 61.300 -0.061 0.000 1.351 206 I CB 0.300 38.312 38.000 0.019 0.000 1.410 206 I HN 0.054 nan 8.210 nan 0.000 0.505 207 V N 7.534 127.416 119.914 -0.052 0.000 2.481 207 V HA 0.347 4.467 4.120 -0.000 0.000 0.286 207 V C 0.266 176.300 176.094 -0.100 0.000 1.042 207 V CA -0.783 61.479 62.300 -0.063 0.000 0.928 207 V CB 1.826 33.609 31.823 -0.066 0.000 0.986 207 V HN 0.678 nan 8.190 nan 0.000 0.462 208 K N 4.990 125.277 120.400 -0.188 0.000 2.323 208 K HA 0.672 4.992 4.320 -0.000 0.000 0.259 208 K C -1.407 175.042 176.600 -0.252 0.000 0.947 208 K CA -0.598 55.450 56.287 -0.397 0.000 0.819 208 K CB 1.443 33.605 32.500 -0.562 0.000 1.109 208 K HN 0.635 nan 8.250 nan 0.000 0.429 209 I N 6.957 127.388 120.570 -0.233 0.000 2.355 209 I HA 0.336 4.506 4.170 -0.000 0.000 0.288 209 I C -1.980 174.057 176.117 -0.134 0.000 0.999 209 I CA -2.562 58.647 61.300 -0.151 0.000 1.163 209 I CB 1.746 39.681 38.000 -0.107 0.000 1.316 209 I HN 0.585 nan 8.210 nan 0.000 0.454 210 P HA 0.254 nan 4.420 nan 0.000 0.273 210 P C -2.666 174.609 177.300 -0.042 0.000 1.250 210 P CA -1.477 61.578 63.100 -0.075 0.000 0.793 210 P CB -0.372 31.293 31.700 -0.058 0.000 1.011 211 P HA 0.150 nan 4.420 nan 0.000 0.272 211 P C -0.189 177.106 177.300 -0.008 0.000 1.240 211 P CA -0.391 62.706 63.100 -0.005 0.000 0.791 211 P CB 0.173 31.878 31.700 0.008 0.000 0.978 212 L N 1.929 123.150 121.223 -0.003 0.000 2.490 212 L HA 0.040 4.380 4.340 -0.000 0.000 0.274 212 L C 0.363 177.233 176.870 0.000 0.000 1.201 212 L CA 1.002 55.840 54.840 -0.003 0.000 0.869 212 L CB -0.249 41.810 42.059 0.001 0.000 1.123 212 L HN 0.275 nan 8.230 nan 0.000 0.484 213 Q N 3.190 122.989 119.800 -0.001 0.000 2.527 213 Q HA 0.464 4.804 4.340 -0.000 0.000 0.220 213 Q C 0.856 176.858 176.000 0.003 0.000 1.014 213 Q CA 0.010 55.814 55.803 0.001 0.000 0.978 213 Q CB 0.975 29.712 28.738 -0.001 0.000 1.245 213 Q HN 0.779 nan 8.270 nan 0.000 0.513 214 A N 0.536 123.359 122.820 0.004 0.000 1.902 214 A HA -0.221 4.099 4.320 -0.000 0.000 0.217 214 A C 1.390 178.977 177.584 0.005 0.000 1.181 214 A CA 2.294 54.334 52.037 0.005 0.000 0.623 214 A CB -0.946 18.057 19.000 0.005 0.000 0.818 214 A HN 0.848 nan 8.150 nan 0.000 0.443 215 D N -0.990 119.412 120.400 0.004 0.000 2.271 215 D HA -0.206 4.434 4.640 -0.000 0.000 0.207 215 D C 0.715 177.019 176.300 0.006 0.000 0.983 215 D CA 1.163 55.166 54.000 0.005 0.000 0.878 215 D CB -0.208 40.595 40.800 0.005 0.000 0.920 215 D HN 0.298 nan 8.370 nan 0.000 0.479 216 K N 0.100 120.503 120.400 0.005 0.000 3.341 216 K HA -0.201 4.119 4.320 -0.000 0.000 0.305 216 K C -0.337 176.267 176.600 0.006 0.000 1.270 216 K CA 1.237 57.527 56.287 0.006 0.000 0.897 216 K CB -2.051 30.453 32.500 0.007 0.000 1.264 216 K HN 0.814 nan 8.250 nan 0.000 0.468 217 E N 1.095 121.299 120.200 0.006 0.000 2.349 217 E HA 0.189 4.539 4.350 -0.000 0.000 0.265 217 E C -0.106 176.494 176.600 0.001 0.000 1.064 217 E CA -0.701 55.703 56.400 0.008 0.000 0.886 217 E CB 0.783 30.490 29.700 0.011 0.000 1.036 217 E HN 0.001 nan 8.360 nan 0.000 0.413 218 D N 3.181 123.583 120.400 0.003 0.000 2.479 218 D HA -0.028 4.612 4.640 -0.000 0.000 0.257 218 D C -1.558 174.712 176.300 -0.050 0.000 1.230 218 D CA -1.786 52.207 54.000 -0.012 0.000 0.912 218 D CB 0.957 41.755 40.800 -0.003 0.000 1.130 218 D HN 0.215 nan 8.370 nan 0.000 0.515 219 P HA -0.119 nan 4.420 nan 0.000 0.218 219 P C 1.733 178.947 177.300 -0.143 0.000 1.148 219 P CA 0.770 63.826 63.100 -0.072 0.000 0.822 219 P CB 0.173 31.844 31.700 -0.048 0.000 0.784 220 I N -0.189 120.249 120.570 -0.220 0.000 2.335 220 I HA -0.227 3.943 4.170 -0.000 0.000 0.251 220 I C 1.945 177.695 176.117 -0.612 0.000 1.129 220 I CA 1.891 62.930 61.300 -0.435 0.000 1.402 220 I CB -0.693 36.958 38.000 -0.581 0.000 1.069 220 I HN 0.086 nan 8.210 nan 0.000 0.424 221 S N -0.041 115.414 115.700 -0.409 0.000 2.603 221 S HA -0.051 4.419 4.470 -0.000 0.000 0.229 221 S C 1.359 175.951 174.600 -0.014 0.000 0.972 221 S CA 0.441 58.567 58.200 -0.124 0.000 0.935 221 S CB -0.246 62.988 63.200 0.057 0.000 0.769 221 S HN 0.447 nan 8.310 nan 0.000 0.536 222 K N 1.211 121.566 120.400 -0.074 0.000 2.478 222 K HA 0.316 4.636 4.320 -0.000 0.000 0.205 222 K C -0.355 176.211 176.600 -0.056 0.000 1.033 222 K CA -0.189 56.075 56.287 -0.039 0.000 1.091 222 K CB 0.807 33.284 32.500 -0.039 0.000 0.844 222 K HN 0.164 nan 8.250 nan 0.000 0.507 223 S N 2.434 118.089 115.700 -0.075 0.000 2.568 223 S HA -0.005 4.465 4.470 -0.000 0.000 0.282 223 S C -0.038 174.539 174.600 -0.038 0.000 1.338 223 S CA 0.165 58.320 58.200 -0.075 0.000 1.045 223 S CB 0.412 63.568 63.200 -0.074 0.000 0.873 223 S HN 0.361 nan 8.310 nan 0.000 0.516 224 E N 0.792 120.958 120.200 -0.057 0.000 2.412 224 E HA 0.426 4.776 4.350 -0.000 0.000 0.279 224 E C -1.514 175.055 176.600 -0.052 0.000 0.984 224 E CA -0.964 55.410 56.400 -0.043 0.000 0.788 224 E CB 0.604 30.278 29.700 -0.043 0.000 1.277 224 E HN 0.242 nan 8.360 nan 0.000 0.455 225 I N 3.012 123.558 120.570 -0.040 0.000 2.337 225 I HA 0.048 4.218 4.170 -0.000 0.000 0.291 225 I C 1.101 177.196 176.117 -0.037 0.000 1.046 225 I CA -0.339 60.935 61.300 -0.043 0.000 1.324 225 I CB 0.945 38.918 38.000 -0.046 0.000 1.409 225 I HN 0.609 nan 8.210 nan 0.000 0.494 226 V N 7.319 127.218 119.914 -0.025 0.000 2.331 226 V HA 0.045 4.165 4.120 -0.000 0.000 0.242 226 V C 0.688 176.766 176.094 -0.028 0.000 1.034 226 V CA 0.955 63.256 62.300 0.001 0.000 1.027 226 V CB 0.429 32.302 31.823 0.084 0.000 0.667 226 V HN 0.616 nan 8.190 nan 0.000 0.457 227 V N -1.165 118.710 119.914 -0.065 0.000 3.225 227 V HA 0.464 4.584 4.120 -0.000 0.000 0.293 227 V C -1.875 174.100 176.094 -0.199 0.000 1.405 227 V CA -0.612 61.605 62.300 -0.137 0.000 1.038 227 V CB 2.360 34.072 31.823 -0.185 0.000 1.123 227 V HN 0.490 nan 8.190 nan 0.000 0.447 228 Q N 2.423 122.078 119.800 -0.242 0.000 2.340 228 Q HA 0.617 4.957 4.340 -0.000 0.000 0.268 228 Q C -2.015 173.776 176.000 -0.348 0.000 1.031 228 Q CA -0.505 55.167 55.803 -0.217 0.000 0.804 228 Q CB 1.868 30.521 28.738 -0.141 0.000 1.286 228 Q HN 0.629 nan 8.270 nan 0.000 0.448 229 F N 4.644 124.489 119.950 -0.176 0.000 2.399 229 F HA 0.504 5.031 4.527 -0.000 0.000 0.334 229 F C -1.778 173.876 175.800 -0.243 0.000 1.097 229 F CA -1.887 55.936 58.000 -0.295 0.000 1.076 229 F CB 1.069 39.932 39.000 -0.228 0.000 1.162 229 F HN 0.469 nan 8.300 nan 0.000 0.495 230 P HA 0.130 nan 4.420 nan 0.000 0.276 230 P C -0.955 176.418 177.300 0.121 0.000 1.252 230 P CA -0.412 62.642 63.100 -0.077 0.000 0.802 230 P CB 1.583 33.216 31.700 -0.112 0.000 1.035 231 C N 1.229 120.572 119.300 0.071 0.000 2.411 231 C HA 0.346 4.806 4.460 -0.000 0.000 0.330 231 C C 2.214 177.254 174.990 0.083 0.000 1.224 231 C CA 0.183 59.274 59.018 0.122 0.000 1.770 231 C CB 0.384 28.023 27.740 -0.169 0.000 2.297 231 C HN 0.720 nan 8.230 nan 0.000 0.507 232 S N 1.605 117.295 115.700 -0.016 0.000 2.481 232 S HA 0.004 4.474 4.470 -0.000 0.000 0.231 232 S C 0.138 174.628 174.600 -0.182 0.000 0.996 232 S CA 0.773 58.797 58.200 -0.294 0.000 0.942 232 S CB -0.148 62.346 63.200 -1.178 0.000 0.768 232 S HN 0.873 nan 8.310 nan 0.000 0.520 233 D N 0.557 120.882 120.400 -0.125 0.000 2.696 233 D HA 0.283 4.923 4.640 -0.000 0.000 0.251 233 D C 0.728 176.962 176.300 -0.110 0.000 1.188 233 D CA -0.626 53.320 54.000 -0.091 0.000 0.876 233 D CB 1.656 42.407 40.800 -0.082 0.000 1.334 233 D HN 0.049 nan 8.370 nan 0.000 0.540 234 R N 2.617 123.009 120.500 -0.181 0.000 2.140 234 R HA -0.195 4.145 4.340 -0.000 0.000 0.250 234 R C 0.562 176.604 176.300 -0.431 0.000 1.150 234 R CA 1.865 57.719 56.100 -0.410 0.000 0.966 234 R CB -0.030 29.837 30.300 -0.722 0.000 0.869 234 R HN 0.373 nan 8.270 nan 0.000 0.445 235 F N -0.605 119.382 119.950 0.063 0.000 2.661 235 F HA 0.353 4.879 4.527 -0.000 0.000 0.306 235 F C -0.275 175.585 175.800 0.100 0.000 1.094 235 F CA -0.087 58.002 58.000 0.148 0.000 1.254 235 F CB 0.807 39.979 39.000 0.288 0.000 1.040 235 F HN -0.260 nan 8.300 nan 0.000 0.562 236 K N 2.299 122.773 120.400 0.124 0.000 2.656 236 K HA 0.300 4.620 4.320 -0.000 0.000 0.241 236 K C -2.901 173.698 176.600 -0.002 0.000 0.967 236 K CA -1.793 54.529 56.287 0.058 0.000 0.946 236 K CB 2.135 34.643 32.500 0.012 0.000 1.164 236 K HN -0.212 nan 8.250 nan 0.000 0.459 237 P HA 0.113 nan 4.420 nan 0.000 0.276 237 P C -0.445 176.935 177.300 0.132 0.000 1.244 237 P CA -0.383 62.706 63.100 -0.018 0.000 0.801 237 P CB 1.099 32.720 31.700 -0.132 0.000 1.006 238 S N 0.630 116.508 115.700 0.296 0.000 2.592 238 S HA 0.146 4.616 4.470 -0.000 0.000 0.271 238 S C -0.257 174.533 174.600 0.315 0.000 1.326 238 S CA -0.171 58.171 58.200 0.236 0.000 1.024 238 S CB -0.178 63.117 63.200 0.158 0.000 0.921 238 S HN 0.392 nan 8.310 nan 0.000 0.527 239 Y N 2.729 123.126 120.300 0.162 0.000 2.544 239 Y HA 0.336 4.886 4.550 -0.000 0.000 0.330 239 Y C -0.600 175.419 175.900 0.199 0.000 1.136 239 Y CA -0.320 57.917 58.100 0.229 0.000 1.417 239 Y CB 0.066 38.643 38.460 0.195 0.000 1.229 239 Y HN 0.273 nan 8.280 nan 0.000 0.532 240 V N 7.823 127.553 119.914 -0.306 0.000 2.487 240 V HA 0.148 4.268 4.120 -0.000 0.000 0.298 240 V C -0.096 175.775 176.094 -0.372 0.000 1.028 240 V CA -0.591 61.585 62.300 -0.207 0.000 0.860 240 V CB 1.263 33.098 31.823 0.019 0.000 0.991 240 V HN 0.921 nan 8.190 nan 0.000 0.427 241 H N 2.752 121.642 119.070 -0.299 0.000 2.557 241 H HA 0.355 4.911 4.556 -0.000 0.000 0.281 241 H C 0.943 176.362 175.328 0.152 0.000 0.990 241 H CA 0.976 56.970 56.048 -0.091 0.000 1.278 241 H CB 0.808 30.629 29.762 0.097 0.000 1.451 241 H HN 0.788 nan 8.280 nan 0.000 0.516 242 S N -1.251 114.579 115.700 0.217 0.000 2.727 242 S HA 0.506 4.976 4.470 -0.000 0.000 0.278 242 S C -1.174 173.634 174.600 0.347 0.000 1.186 242 S CA -0.398 57.950 58.200 0.246 0.000 0.836 242 S CB 1.747 65.021 63.200 0.125 0.000 1.186 242 S HN 0.337 nan 8.310 nan 0.000 0.499 243 F N -1.661 118.225 119.950 -0.105 0.000 2.779 243 F HA 0.883 5.410 4.527 -0.000 0.000 0.316 243 F C -0.392 175.061 175.800 -0.579 0.000 1.164 243 F CA -0.701 57.058 58.000 -0.402 0.000 0.924 243 F CB 0.815 39.782 39.000 -0.054 0.000 1.348 243 F HN 0.926 nan 8.300 nan 0.000 0.467 244 G N 1.103 109.529 108.800 -0.624 0.000 2.400 244 G HA2 0.653 4.613 3.960 -0.000 0.000 0.333 244 G HA3 0.653 4.613 3.960 -0.000 0.000 0.333 244 G C -2.396 172.292 174.900 -0.354 0.000 1.143 244 G CA -0.903 43.936 45.100 -0.436 0.000 0.914 244 G HN 0.850 nan 8.290 nan 0.000 0.480 245 L N 1.403 122.278 121.223 -0.579 0.000 2.455 245 L HA 0.792 5.132 4.340 -0.000 0.000 0.264 245 L C 0.279 176.974 176.870 -0.291 0.000 0.968 245 L CA -0.305 54.251 54.840 -0.473 0.000 0.827 245 L CB 2.427 43.994 42.059 -0.820 0.000 1.317 245 L HN 0.862 nan 8.230 nan 0.000 0.407 246 T N 0.683 115.155 114.554 -0.137 0.000 2.888 246 T HA 0.623 4.973 4.350 -0.000 0.000 0.288 246 T C -2.379 172.272 174.700 -0.082 0.000 1.063 246 T CA -1.752 60.314 62.100 -0.056 0.000 1.010 246 T CB 1.670 70.586 68.868 0.080 0.000 1.214 246 T HN 0.361 nan 8.240 nan 0.000 0.533 247 P HA -0.010 nan 4.420 nan 0.000 0.217 247 P C 0.915 178.142 177.300 -0.121 0.000 1.148 247 P CA 1.098 64.153 63.100 -0.075 0.000 0.828 247 P CB 0.071 31.744 31.700 -0.045 0.000 0.783 248 N N -3.534 115.073 118.700 -0.155 0.000 2.227 248 N HA 0.093 4.833 4.740 -0.000 0.000 0.196 248 N C -0.248 174.844 175.510 -0.696 0.000 1.142 248 N CA 0.311 53.105 53.050 -0.426 0.000 0.887 248 N CB 0.626 38.773 38.487 -0.567 0.000 1.022 248 N HN 0.215 nan 8.380 nan 0.000 0.500 249 Y N 0.059 120.338 120.300 -0.035 0.000 2.553 249 Y HA 0.560 5.110 4.550 -0.000 0.000 0.347 249 Y C -0.325 175.574 175.900 -0.000 0.000 1.019 249 Y CA -0.809 57.290 58.100 -0.000 0.000 1.032 249 Y CB 1.825 40.294 38.460 0.016 0.000 1.284 249 Y HN -0.278 nan 8.280 nan 0.000 0.466 250 I N 2.481 123.209 120.570 0.263 0.000 2.433 250 I HA 0.545 4.715 4.170 -0.000 0.000 0.292 250 I C -1.122 175.239 176.117 0.406 0.000 1.001 250 I CA -0.984 60.497 61.300 0.302 0.000 1.119 250 I CB 1.690 39.913 38.000 0.372 0.000 1.289 250 I HN 0.202 nan 8.210 nan 0.000 0.438 251 V N 6.353 126.448 119.914 0.302 0.000 2.448 251 V HA 0.427 4.547 4.120 -0.000 0.000 0.295 251 V C -0.895 175.331 176.094 0.220 0.000 1.025 251 V CA -0.655 61.784 62.300 0.232 0.000 0.859 251 V CB 1.766 33.670 31.823 0.135 0.000 0.988 251 V HN 0.481 nan 8.190 nan 0.000 0.431 252 F N 5.900 125.786 119.950 -0.106 0.000 2.529 252 F HA 0.785 5.312 4.527 -0.000 0.000 0.320 252 F C -0.845 174.886 175.800 -0.115 0.000 1.118 252 F CA -1.075 56.749 58.000 -0.294 0.000 0.915 252 F CB 1.909 40.260 39.000 -1.081 0.000 1.161 252 F HN 0.229 nan 8.300 nan 0.000 0.445 253 V N 5.815 125.315 119.914 -0.690 0.000 2.334 253 V HA 0.296 4.416 4.120 -0.000 0.000 0.281 253 V C -0.412 175.156 176.094 -0.875 0.000 1.016 253 V CA -0.752 61.186 62.300 -0.603 0.000 0.832 253 V CB 1.295 32.989 31.823 -0.215 0.000 0.999 253 V HN 0.786 nan 8.190 nan 0.000 0.439 254 E N 3.721 123.422 120.200 -0.831 0.000 2.046 254 E HA 0.382 4.732 4.350 -0.000 0.000 0.279 254 E C 0.199 176.580 176.600 -0.364 0.000 0.989 254 E CA -0.347 55.707 56.400 -0.577 0.000 0.798 254 E CB 0.923 30.434 29.700 -0.315 0.000 1.086 254 E HN 0.853 nan 8.360 nan 0.000 0.399 255 T N 1.064 115.440 114.554 -0.298 0.000 2.881 255 T HA 0.368 4.718 4.350 -0.000 0.000 0.278 255 T C -1.792 172.789 174.700 -0.198 0.000 0.982 255 T CA -1.745 60.184 62.100 -0.285 0.000 0.989 255 T CB 1.418 70.147 68.868 -0.232 0.000 1.058 255 T HN 0.243 nan 8.240 nan 0.000 0.529 256 P HA 0.135 nan 4.420 nan 0.000 0.242 256 P C -0.036 177.232 177.300 -0.053 0.000 1.197 256 P CA -0.108 62.927 63.100 -0.108 0.000 0.765 256 P CB -0.221 31.449 31.700 -0.051 0.000 0.936 257 V N 2.067 121.956 119.914 -0.042 0.000 2.372 257 V HA 0.135 4.255 4.120 -0.000 0.000 0.261 257 V C 0.695 176.793 176.094 0.006 0.000 1.055 257 V CA 0.119 62.379 62.300 -0.067 0.000 0.930 257 V CB 0.173 31.858 31.823 -0.229 0.000 1.031 257 V HN -0.025 nan 8.190 nan 0.000 0.479 258 K N 4.643 125.056 120.400 0.023 0.000 2.156 258 K HA 0.628 4.948 4.320 -0.000 0.000 0.250 258 K C -0.615 175.993 176.600 0.013 0.000 0.955 258 K CA -0.756 55.550 56.287 0.032 0.000 0.855 258 K CB 2.716 35.204 32.500 -0.020 0.000 1.101 258 K HN 0.438 nan 8.250 nan 0.000 0.434 259 I N 2.278 122.827 120.570 -0.036 0.000 2.304 259 I HA 0.098 4.268 4.170 -0.000 0.000 0.291 259 I C 0.428 176.506 176.117 -0.065 0.000 1.018 259 I CA -0.481 60.709 61.300 -0.184 0.000 1.260 259 I CB 0.709 38.627 38.000 -0.137 0.000 1.390 259 I HN 0.288 nan 8.210 nan 0.000 0.475 260 N N 7.473 126.131 118.700 -0.070 0.000 2.767 260 N HA 0.202 4.942 4.740 -0.000 0.000 0.238 260 N C 0.671 176.260 175.510 0.132 0.000 1.083 260 N CA -0.168 52.897 53.050 0.026 0.000 0.964 260 N CB 0.691 39.172 38.487 -0.011 0.000 1.252 260 N HN 0.573 nan 8.380 nan 0.000 0.512 261 L N 1.969 123.331 121.223 0.232 0.000 2.450 261 L HA -0.045 4.295 4.340 -0.000 0.000 0.224 261 L C 1.430 178.458 176.870 0.263 0.000 1.149 261 L CA 0.877 55.855 54.840 0.231 0.000 0.816 261 L CB -0.408 41.779 42.059 0.213 0.000 0.932 261 L HN 0.432 nan 8.230 nan 0.000 0.449 262 F N 0.032 119.998 119.950 0.027 0.000 2.234 262 F HA -0.095 4.432 4.527 -0.000 0.000 0.296 262 F C 2.554 178.382 175.800 0.046 0.000 1.089 262 F CA 0.711 58.719 58.000 0.015 0.000 1.343 262 F CB -0.116 38.871 39.000 -0.021 0.000 1.040 262 F HN -0.098 nan 8.300 nan 0.000 0.498 263 K N -0.081 120.465 120.400 0.244 0.000 2.148 263 K HA -0.141 4.179 4.320 -0.000 0.000 0.204 263 K C 1.946 178.651 176.600 0.175 0.000 1.050 263 K CA 1.118 57.496 56.287 0.152 0.000 0.942 263 K CB -0.257 32.285 32.500 0.071 0.000 0.724 263 K HN 0.267 nan 8.250 nan 0.000 0.446 264 F N 1.182 121.149 119.950 0.029 0.000 2.037 264 F HA -0.188 4.338 4.527 -0.000 0.000 0.291 264 F C 2.049 177.889 175.800 0.067 0.000 1.137 264 F CA 0.685 58.689 58.000 0.007 0.000 1.178 264 F CB -0.063 38.880 39.000 -0.095 0.000 0.995 264 F HN -0.120 nan 8.300 nan 0.000 0.472 265 L N -0.092 121.284 121.223 0.254 0.000 2.137 265 L HA -0.317 4.022 4.340 -0.000 0.000 0.213 265 L C 2.391 179.361 176.870 0.168 0.000 1.085 265 L CA 1.276 56.196 54.840 0.133 0.000 0.760 265 L CB -0.690 41.367 42.059 -0.005 0.000 0.893 265 L HN 0.142 nan 8.230 nan 0.000 0.434 266 S N -1.307 114.491 115.700 0.163 0.000 2.348 266 S HA -0.167 4.303 4.470 -0.000 0.000 0.221 266 S C 2.193 176.890 174.600 0.163 0.000 1.033 266 S CA 1.680 59.961 58.200 0.136 0.000 1.010 266 S CB -0.091 63.188 63.200 0.132 0.000 0.891 266 S HN 0.365 nan 8.310 nan 0.000 0.442 267 S N -0.012 115.826 115.700 0.230 0.000 2.406 267 S HA 0.004 4.474 4.470 -0.000 0.000 0.224 267 S C 1.337 176.097 174.600 0.266 0.000 1.030 267 S CA 0.227 58.565 58.200 0.231 0.000 0.958 267 S CB -0.329 62.991 63.200 0.200 0.000 0.811 267 S HN 0.698 nan 8.310 nan 0.000 0.489 268 W N 1.796 123.230 121.300 0.224 0.000 2.308 268 W HA -0.189 4.471 4.660 -0.000 0.000 0.301 268 W C 2.305 178.805 176.519 -0.032 0.000 1.220 268 W CA 1.611 59.026 57.345 0.117 0.000 1.240 268 W CB -0.337 29.108 29.460 -0.024 0.000 1.142 268 W HN 0.348 nan 8.180 nan 0.000 0.521 269 S N -0.364 115.371 115.700 0.057 0.000 2.441 269 S HA 0.016 4.486 4.470 -0.000 0.000 0.224 269 S C 1.805 176.294 174.600 -0.185 0.000 1.043 269 S CA 0.716 58.852 58.200 -0.105 0.000 0.948 269 S CB -0.158 63.036 63.200 -0.009 0.000 0.810 269 S HN 0.202 nan 8.310 nan 0.000 0.504 270 L N -1.443 119.714 121.223 -0.109 0.000 2.228 270 L HA 0.348 4.688 4.340 -0.000 0.000 0.196 270 L C -0.149 176.449 176.870 -0.454 0.000 1.162 270 L CA 0.233 54.965 54.840 -0.181 0.000 0.801 270 L CB -0.008 42.097 42.059 0.076 0.000 0.983 270 L HN 0.286 nan 8.230 nan 0.000 0.471 271 W N -0.491 120.814 121.300 0.008 0.000 2.534 271 W HA 0.442 5.102 4.660 -0.000 0.000 0.292 271 W C 0.160 176.690 176.519 0.019 0.000 1.027 271 W CA -0.494 56.849 57.345 -0.004 0.000 1.304 271 W CB 1.303 30.759 29.460 -0.006 0.000 1.187 271 W HN 0.265 nan 8.180 nan 0.000 0.356 272 G N 2.312 111.249 108.800 0.229 0.000 2.372 272 G HA2 0.018 3.978 3.960 -0.000 0.000 0.297 272 G HA3 0.018 3.978 3.960 -0.000 0.000 0.297 272 G C 0.075 175.076 174.900 0.168 0.000 1.005 272 G CA 0.209 45.437 45.100 0.212 0.000 1.173 272 G HN 0.821 nan 8.290 nan 0.000 0.511 273 A N 0.363 123.275 122.820 0.153 0.000 2.295 273 A HA 0.841 5.161 4.320 -0.000 0.000 0.318 273 A C 0.428 177.882 177.584 -0.217 0.000 1.134 273 A CA 0.102 52.091 52.037 -0.079 0.000 0.827 273 A CB 0.838 19.696 19.000 -0.236 0.000 1.136 273 A HN 1.298 nan 8.150 nan 0.000 0.493 274 N N -0.917 117.576 118.700 -0.344 0.000 2.815 274 N HA 0.388 5.128 4.740 -0.000 0.000 0.315 274 N C 0.075 175.180 175.510 -0.675 0.000 1.320 274 N CA -0.539 52.308 53.050 -0.338 0.000 0.846 274 N CB -0.022 38.474 38.487 0.015 0.000 1.344 274 N HN 0.451 nan 8.380 nan 0.000 0.593 275 Y N -1.308 118.805 120.300 -0.312 0.000 2.200 275 Y HA -0.060 4.490 4.550 -0.000 0.000 0.290 275 Y C 2.352 178.102 175.900 -0.249 0.000 1.137 275 Y CA 1.245 59.207 58.100 -0.231 0.000 1.163 275 Y CB -0.267 38.248 38.460 0.090 0.000 0.988 275 Y HN 0.488 nan 8.280 nan 0.000 0.518 276 M N 0.661 120.069 119.600 -0.319 0.000 2.202 276 M HA -0.210 4.270 4.480 -0.000 0.000 0.262 276 M C 0.998 177.368 176.300 0.117 0.000 1.063 276 M CA 1.694 56.929 55.300 -0.108 0.000 1.097 276 M CB -0.454 31.951 32.600 -0.325 0.000 1.382 276 M HN 0.063 nan 8.290 nan 0.000 0.413 277 D N -0.929 119.434 120.400 -0.062 0.000 2.350 277 D HA -0.068 4.572 4.640 -0.000 0.000 0.216 277 D C 1.663 177.924 176.300 -0.066 0.000 0.968 277 D CA 0.918 54.884 54.000 -0.057 0.000 0.894 277 D CB -0.425 40.295 40.800 -0.133 0.000 0.909 277 D HN 0.467 nan 8.370 nan 0.000 0.520 278 C N 0.034 119.250 119.300 -0.140 0.000 2.673 278 C HA 0.167 4.627 4.460 -0.000 0.000 0.264 278 C C 0.835 175.691 174.990 -0.222 0.000 1.304 278 C CA -0.716 58.184 59.018 -0.195 0.000 1.727 278 C CB -1.166 26.407 27.740 -0.279 0.000 1.932 278 C HN 0.017 nan 8.230 nan 0.000 0.563 279 F N 2.698 122.652 119.950 0.005 0.000 2.429 279 F HA 0.381 4.908 4.527 -0.000 0.000 0.348 279 F C 0.716 176.513 175.800 -0.005 0.000 1.109 279 F CA 0.010 57.995 58.000 -0.026 0.000 1.232 279 F CB 0.484 39.456 39.000 -0.047 0.000 1.157 279 F HN 0.320 nan 8.300 nan 0.000 0.564 280 E N -0.260 120.022 120.200 0.138 0.000 2.429 280 E HA 0.627 4.977 4.350 -0.000 0.000 0.276 280 E C -1.679 174.957 176.600 0.061 0.000 0.953 280 E CA -1.214 55.241 56.400 0.091 0.000 0.787 280 E CB 1.781 31.500 29.700 0.031 0.000 1.307 280 E HN 0.323 nan 8.360 nan 0.000 0.458 281 S N 1.062 116.795 115.700 0.055 0.000 2.437 281 S HA 0.286 4.756 4.470 -0.000 0.000 0.305 281 S C -0.595 173.916 174.600 -0.148 0.000 1.109 281 S CA -0.822 57.387 58.200 0.014 0.000 1.099 281 S CB 0.706 64.018 63.200 0.186 0.000 1.004 281 S HN 0.491 nan 8.310 nan 0.000 0.475 282 N N 2.401 120.985 118.700 -0.193 0.000 2.422 282 N HA 0.104 4.844 4.740 -0.000 0.000 0.264 282 N C 0.511 175.739 175.510 -0.469 0.000 1.063 282 N CA -0.049 52.848 53.050 -0.256 0.000 0.959 282 N CB 0.785 39.160 38.487 -0.186 0.000 1.087 282 N HN 0.636 nan 8.380 nan 0.000 0.483 283 E N 1.144 121.001 120.200 -0.570 0.000 2.385 283 E HA -0.046 4.304 4.350 -0.000 0.000 0.194 283 E C 0.826 177.230 176.600 -0.326 0.000 1.013 283 E CA 0.858 56.732 56.400 -0.877 0.000 0.866 283 E CB 0.414 29.753 29.700 -0.603 0.000 0.832 283 E HN 0.762 nan 8.360 nan 0.000 0.500 284 T N -1.844 112.615 114.554 -0.158 0.000 2.969 284 T HA 0.054 4.404 4.350 -0.000 0.000 0.250 284 T C 2.001 176.742 174.700 0.070 0.000 1.021 284 T CA -0.108 61.986 62.100 -0.010 0.000 1.003 284 T CB -0.083 68.788 68.868 0.005 0.000 1.040 284 T HN 0.117 nan 8.240 nan 0.000 0.492 285 M N 0.915 120.537 119.600 0.037 0.000 2.349 285 M HA 0.452 4.932 4.480 -0.000 0.000 0.266 285 M C 1.630 178.085 176.300 0.257 0.000 1.076 285 M CA 0.992 56.384 55.300 0.153 0.000 1.126 285 M CB -0.852 31.692 32.600 -0.093 0.000 1.392 285 M HN 0.387 nan 8.290 nan 0.000 0.440 286 G N 0.961 109.845 108.800 0.140 0.000 2.539 286 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.256 286 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.256 286 G C -0.608 174.293 174.900 0.002 0.000 1.233 286 G CA -0.284 44.900 45.100 0.139 0.000 0.936 286 G HN 0.431 nan 8.290 nan 0.000 0.571 287 V N 0.267 120.135 119.914 -0.077 0.000 2.459 287 V HA 0.638 4.758 4.120 -0.000 0.000 0.295 287 V C -0.689 175.437 176.094 0.054 0.000 1.029 287 V CA -0.373 61.782 62.300 -0.242 0.000 0.874 287 V CB 1.610 32.982 31.823 -0.752 0.000 0.985 287 V HN 0.587 nan 8.190 nan 0.000 0.438 288 W N 5.484 126.603 121.300 -0.303 0.000 2.429 288 W HA 0.739 5.399 4.660 -0.000 0.000 0.314 288 W C -0.721 175.527 176.519 -0.451 0.000 1.062 288 W CA -1.222 55.938 57.345 -0.307 0.000 1.211 288 W CB 0.985 30.334 29.460 -0.186 0.000 1.305 288 W HN 0.266 nan 8.180 nan 0.000 0.476 289 L N 4.584 125.662 121.223 -0.242 0.000 2.331 289 L HA 0.504 4.844 4.340 -0.000 0.000 0.275 289 L C 0.124 176.877 176.870 -0.194 0.000 1.022 289 L CA -0.649 54.038 54.840 -0.254 0.000 0.812 289 L CB 1.139 43.050 42.059 -0.246 0.000 1.257 289 L HN 0.287 nan 8.230 nan 0.000 0.435 290 H N 3.227 122.358 119.070 0.103 0.000 2.806 290 H HA 0.674 5.229 4.556 -0.000 0.000 0.367 290 H C -0.929 174.641 175.328 0.404 0.000 1.136 290 H CA -0.559 55.717 56.048 0.380 0.000 1.178 290 H CB 2.807 32.844 29.762 0.460 0.000 1.718 290 H HN 0.616 nan 8.280 nan 0.000 0.540 291 I N -0.457 120.487 120.570 0.625 0.000 2.785 291 I HA 0.887 5.057 4.170 -0.000 0.000 0.302 291 I C -0.996 175.435 176.117 0.524 0.000 1.069 291 I CA -1.054 60.558 61.300 0.520 0.000 1.045 291 I CB 2.365 40.517 38.000 0.254 0.000 1.236 291 I HN 0.554 nan 8.210 nan 0.000 0.429 292 A N 2.992 126.098 122.820 0.476 0.000 2.435 292 A HA 0.454 4.774 4.320 -0.000 0.000 0.304 292 A C -1.233 176.477 177.584 0.209 0.000 1.064 292 A CA -0.550 51.619 52.037 0.220 0.000 0.727 292 A CB 1.500 20.467 19.000 -0.056 0.000 1.284 292 A HN 0.820 nan 8.150 nan 0.000 0.415 293 D N 1.630 122.084 120.400 0.091 0.000 2.338 293 D HA 0.055 4.695 4.640 -0.000 0.000 0.255 293 D C 0.971 177.217 176.300 -0.090 0.000 1.237 293 D CA 0.134 54.100 54.000 -0.057 0.000 0.883 293 D CB 1.032 41.803 40.800 -0.047 0.000 1.087 293 D HN 0.626 nan 8.370 nan 0.000 0.485 294 K N 3.689 123.996 120.400 -0.154 0.000 2.057 294 K HA -0.162 4.158 4.320 -0.000 0.000 0.207 294 K C 1.415 177.980 176.600 -0.059 0.000 1.049 294 K CA 1.131 57.359 56.287 -0.098 0.000 0.931 294 K CB 0.296 32.699 32.500 -0.162 0.000 0.714 294 K HN 0.202 nan 8.250 nan 0.000 0.440 295 K N -0.202 120.136 120.400 -0.104 0.000 2.137 295 K HA 0.030 4.350 4.320 -0.000 0.000 0.202 295 K C 1.970 178.545 176.600 -0.042 0.000 1.052 295 K CA 0.838 57.090 56.287 -0.058 0.000 0.961 295 K CB 0.186 32.636 32.500 -0.083 0.000 0.741 295 K HN 0.063 nan 8.250 nan 0.000 0.452 296 R N 0.865 121.331 120.500 -0.057 0.000 2.310 296 R HA 0.097 4.437 4.340 -0.000 0.000 0.202 296 R C -0.340 175.946 176.300 -0.024 0.000 0.933 296 R CA 0.194 56.272 56.100 -0.036 0.000 1.054 296 R CB 0.081 30.359 30.300 -0.037 0.000 0.985 296 R HN 0.027 nan 8.270 nan 0.000 0.489 297 K N 1.161 121.547 120.400 -0.024 0.000 3.393 297 K HA -0.210 4.110 4.320 -0.000 0.000 0.272 297 K C -0.678 175.907 176.600 -0.025 0.000 1.004 297 K CA 0.736 57.012 56.287 -0.018 0.000 0.764 297 K CB -0.999 31.496 32.500 -0.008 0.000 1.373 297 K HN 0.159 nan 8.250 nan 0.000 0.458 298 K N 1.522 121.908 120.400 -0.023 0.000 2.535 298 K HA 0.244 4.564 4.320 -0.000 0.000 0.250 298 K C -1.078 175.536 176.600 0.022 0.000 0.948 298 K CA -0.942 55.345 56.287 0.001 0.000 0.796 298 K CB 0.941 33.443 32.500 0.005 0.000 1.216 298 K HN 0.122 nan 8.250 nan 0.000 0.432 299 Y N 4.818 125.059 120.300 -0.098 0.000 2.511 299 Y HA 0.206 4.756 4.550 -0.000 0.000 0.332 299 Y C -0.538 175.389 175.900 0.045 0.000 1.177 299 Y CA 0.198 58.259 58.100 -0.066 0.000 1.422 299 Y CB 0.429 38.845 38.460 -0.073 0.000 1.271 299 Y HN 0.439 nan 8.280 nan 0.000 0.550 300 I N 6.144 126.405 120.570 -0.515 0.000 2.321 300 I HA 0.119 4.289 4.170 -0.000 0.000 0.291 300 I C 0.060 175.719 176.117 -0.763 0.000 0.998 300 I CA -0.614 60.434 61.300 -0.420 0.000 1.227 300 I CB 0.953 38.877 38.000 -0.127 0.000 1.368 300 I HN 0.577 nan 8.210 nan 0.000 0.466 301 N N 5.830 124.272 118.700 -0.429 0.000 3.254 301 N HA 0.068 4.808 4.740 -0.000 0.000 0.308 301 N C -0.886 174.504 175.510 -0.199 0.000 1.281 301 N CA -0.027 52.885 53.050 -0.231 0.000 1.212 301 N CB -0.319 38.168 38.487 -0.000 0.000 1.478 301 N HN 0.410 nan 8.380 nan 0.000 0.548 302 N N 0.873 119.401 118.700 -0.288 0.000 2.425 302 N HA 0.128 4.868 4.740 -0.000 0.000 0.268 302 N C -0.496 174.689 175.510 -0.542 0.000 0.991 302 N CA -0.177 52.587 53.050 -0.477 0.000 0.931 302 N CB 1.098 39.149 38.487 -0.728 0.000 1.130 302 N HN 0.174 nan 8.380 nan 0.000 0.493 303 K N 2.818 122.943 120.400 -0.459 0.000 2.111 303 K HA 0.148 4.468 4.320 -0.000 0.000 0.249 303 K C -0.602 175.737 176.600 -0.435 0.000 1.157 303 K CA -0.197 55.853 56.287 -0.395 0.000 1.048 303 K CB -0.199 32.108 32.500 -0.322 0.000 1.498 303 K HN 0.425 nan 8.250 nan 0.000 0.344 304 Y N 1.597 121.753 120.300 -0.240 0.000 2.335 304 Y HA 0.176 4.726 4.550 -0.000 0.000 0.331 304 Y C 0.733 176.450 175.900 -0.305 0.000 1.094 304 Y CA -0.465 57.497 58.100 -0.230 0.000 1.253 304 Y CB 0.615 38.952 38.460 -0.205 0.000 1.203 304 Y HN 0.137 nan 8.280 nan 0.000 0.508 305 R N 1.522 121.943 120.500 -0.132 0.000 2.686 305 R HA 0.694 5.034 4.340 -0.000 0.000 0.283 305 R C -0.478 175.478 176.300 -0.574 0.000 0.978 305 R CA -0.780 55.194 56.100 -0.211 0.000 0.897 305 R CB 2.118 32.420 30.300 0.004 0.000 1.192 305 R HN 0.739 nan 8.270 nan 0.000 0.457 306 T N -0.837 113.337 114.554 -0.632 0.000 2.671 306 T HA 0.357 4.707 4.350 -0.000 0.000 0.300 306 T C -0.575 173.872 174.700 -0.422 0.000 1.238 306 T CA -0.325 61.120 62.100 -1.092 0.000 1.020 306 T CB 0.985 69.478 68.868 -0.625 0.000 1.503 306 T HN 0.623 nan 8.240 nan 0.000 0.497 307 S N 1.940 117.573 115.700 -0.112 0.000 2.624 307 S HA 0.585 5.055 4.470 -0.000 0.000 0.263 307 S C -2.589 172.107 174.600 0.160 0.000 1.287 307 S CA -0.933 57.420 58.200 0.256 0.000 0.990 307 S CB 0.379 63.810 63.200 0.386 0.000 0.950 307 S HN 0.623 nan 8.310 nan 0.000 0.561 308 P HA 0.378 nan 4.420 nan 0.000 0.281 308 P C -1.011 176.421 177.300 0.219 0.000 1.252 308 P CA -0.231 62.950 63.100 0.136 0.000 0.778 308 P CB -0.042 31.853 31.700 0.324 0.000 0.895 309 F N -0.555 119.462 119.950 0.113 0.000 2.645 309 F HA 0.490 5.017 4.527 -0.000 0.000 0.310 309 F C -0.745 175.100 175.800 0.075 0.000 1.102 309 F CA -1.328 56.740 58.000 0.113 0.000 0.952 309 F CB 0.930 39.987 39.000 0.095 0.000 1.326 309 F HN 0.112 nan 8.300 nan 0.000 0.456 310 N N 1.031 119.942 118.700 0.353 0.000 2.513 310 N HA 0.582 5.322 4.740 -0.000 0.000 0.274 310 N C -1.738 173.855 175.510 0.138 0.000 1.189 310 N CA -0.593 52.521 53.050 0.107 0.000 0.975 310 N CB 1.983 40.498 38.487 0.046 0.000 1.157 310 N HN 0.633 nan 8.380 nan 0.000 0.465 311 L N 1.839 122.904 121.223 -0.263 0.000 2.438 311 L HA 0.394 4.734 4.340 -0.000 0.000 0.270 311 L C -1.181 175.313 176.870 -0.626 0.000 0.972 311 L CA -0.236 54.484 54.840 -0.200 0.000 0.831 311 L CB 1.299 43.392 42.059 0.058 0.000 1.273 311 L HN 0.473 nan 8.230 nan 0.000 0.405 312 F N 1.221 121.224 119.950 0.089 0.000 2.490 312 F HA 0.364 4.891 4.527 -0.000 0.000 0.280 312 F C 0.358 176.024 175.800 -0.223 0.000 1.030 312 F CA -0.081 57.787 58.000 -0.219 0.000 1.367 312 F CB -0.004 38.665 39.000 -0.551 0.000 1.131 312 F HN 0.436 nan 8.300 nan 0.000 0.632 313 H N -0.489 118.762 119.070 0.302 0.000 2.587 313 H HA 0.289 4.845 4.556 -0.000 0.000 0.325 313 H C -0.484 174.933 175.328 0.147 0.000 1.012 313 H CA -0.626 55.534 56.048 0.188 0.000 1.213 313 H CB 0.522 30.363 29.762 0.132 0.000 1.431 313 H HN 0.050 nan 8.280 nan 0.000 0.492 314 H N 2.931 122.095 119.070 0.158 0.000 2.790 314 H HA 0.022 4.578 4.556 -0.000 0.000 0.358 314 H C 0.873 176.284 175.328 0.138 0.000 1.103 314 H CA 0.485 56.610 56.048 0.127 0.000 1.426 314 H CB 1.801 31.620 29.762 0.096 0.000 1.424 314 H HN 0.651 nan 8.280 nan 0.000 0.599 315 I N 1.137 121.850 120.570 0.238 0.000 2.522 315 I HA -0.056 4.114 4.170 -0.000 0.000 0.240 315 I C 0.657 176.847 176.117 0.121 0.000 1.078 315 I CA 0.579 62.003 61.300 0.206 0.000 1.422 315 I CB 0.192 38.333 38.000 0.235 0.000 1.188 315 I HN 0.471 nan 8.210 nan 0.000 0.442 316 N N -1.074 117.668 118.700 0.071 0.000 2.961 316 N HA 0.335 5.075 4.740 -0.000 0.000 0.245 316 N C -1.583 173.958 175.510 0.051 0.000 1.404 316 N CA -0.312 52.695 53.050 -0.072 0.000 0.880 316 N CB 1.936 40.044 38.487 -0.632 0.000 1.461 316 N HN -0.126 nan 8.380 nan 0.000 0.510 317 T N 1.407 115.988 114.554 0.046 0.000 2.952 317 T HA 0.647 4.997 4.350 -0.000 0.000 0.305 317 T C -1.498 173.283 174.700 0.135 0.000 1.064 317 T CA -0.435 61.700 62.100 0.058 0.000 1.008 317 T CB 0.774 69.653 68.868 0.019 0.000 1.078 317 T HN 0.485 nan 8.240 nan 0.000 0.459 318 Y N -0.579 119.743 120.300 0.037 0.000 2.670 318 Y HA 0.775 5.325 4.550 -0.000 0.000 0.334 318 Y C -1.167 174.769 175.900 0.061 0.000 1.185 318 Y CA -1.459 56.667 58.100 0.044 0.000 1.053 318 Y CB 0.996 39.496 38.460 0.067 0.000 1.298 318 Y HN 0.467 nan 8.280 nan 0.000 0.459 319 E N 1.027 121.374 120.200 0.246 0.000 2.191 319 E HA 0.379 4.729 4.350 -0.000 0.000 0.278 319 E C -1.629 175.116 176.600 0.242 0.000 0.972 319 E CA -0.787 55.705 56.400 0.154 0.000 0.804 319 E CB 1.504 31.305 29.700 0.169 0.000 1.110 319 E HN 0.528 nan 8.360 nan 0.000 0.394 320 D N 1.988 122.503 120.400 0.192 0.000 2.478 320 D HA 0.208 4.848 4.640 -0.000 0.000 0.240 320 D C -0.537 175.985 176.300 0.369 0.000 1.364 320 D CA -0.208 53.958 54.000 0.277 0.000 0.987 320 D CB 0.087 41.075 40.800 0.314 0.000 1.328 320 D HN 0.601 nan 8.370 nan 0.000 0.584 321 H N 1.494 120.675 119.070 0.185 0.000 1.452 321 H HA -0.223 4.333 4.556 -0.000 0.000 0.090 321 H C -0.009 175.375 175.328 0.093 0.000 0.910 321 H CA 1.646 57.793 56.048 0.165 0.000 1.901 321 H CB -0.469 29.429 29.762 0.228 0.000 2.257 321 H HN 0.451 nan 8.280 nan 0.000 0.961 322 E N 1.186 121.440 120.200 0.090 0.000 2.947 322 E HA 0.287 4.637 4.350 -0.000 0.000 0.229 322 E C -0.922 175.344 176.600 -0.556 0.000 1.158 322 E CA -0.077 56.194 56.400 -0.214 0.000 1.441 322 E CB 0.158 29.737 29.700 -0.203 0.000 1.414 322 E HN 0.088 nan 8.360 nan 0.000 0.432 323 F N 0.103 120.036 119.950 -0.028 0.000 2.563 323 F HA 0.428 4.955 4.527 -0.000 0.000 0.316 323 F C -0.008 175.696 175.800 -0.160 0.000 1.076 323 F CA -0.993 56.953 58.000 -0.089 0.000 0.921 323 F CB 1.412 40.377 39.000 -0.058 0.000 1.209 323 F HN -0.103 nan 8.300 nan 0.000 0.462 324 L N 4.253 125.440 121.223 -0.060 0.000 2.275 324 L HA 0.444 4.784 4.340 -0.000 0.000 0.288 324 L C -0.703 176.067 176.870 -0.167 0.000 1.046 324 L CA -0.718 54.028 54.840 -0.156 0.000 0.805 324 L CB 0.949 42.871 42.059 -0.228 0.000 1.193 324 L HN 0.375 nan 8.230 nan 0.000 0.426 325 I N 4.589 124.970 120.570 -0.315 0.000 2.315 325 I HA 0.279 4.449 4.170 -0.000 0.000 0.291 325 I C -0.081 175.894 176.117 -0.237 0.000 1.006 325 I CA -0.462 60.610 61.300 -0.379 0.000 1.265 325 I CB 1.496 38.989 38.000 -0.845 0.000 1.387 325 I HN 0.173 nan 8.210 nan 0.000 0.475 326 V N 5.736 125.596 119.914 -0.090 0.000 2.357 326 V HA 0.293 4.413 4.120 -0.000 0.000 0.281 326 V C -0.563 175.565 176.094 0.056 0.000 1.015 326 V CA -0.715 61.593 62.300 0.013 0.000 0.827 326 V CB 1.617 33.453 31.823 0.021 0.000 1.018 326 V HN 0.555 nan 8.190 nan 0.000 0.432 327 D N 5.181 125.633 120.400 0.088 0.000 2.232 327 D HA 0.671 5.311 4.640 -0.000 0.000 0.242 327 D C -0.413 175.925 176.300 0.063 0.000 1.093 327 D CA 0.099 54.154 54.000 0.091 0.000 0.845 327 D CB 2.015 42.939 40.800 0.206 0.000 1.124 327 D HN 0.327 nan 8.370 nan 0.000 0.467 328 L N 1.265 122.488 121.223 -0.000 0.000 2.422 328 L HA 0.430 4.770 4.340 -0.000 0.000 0.264 328 L C -0.655 176.193 176.870 -0.037 0.000 0.984 328 L CA -0.993 53.809 54.840 -0.064 0.000 0.819 328 L CB 2.400 44.366 42.059 -0.155 0.000 1.330 328 L HN 0.283 nan 8.230 nan 0.000 0.410 329 C N 1.610 120.930 119.300 0.033 0.000 2.256 329 C HA 0.459 4.919 4.460 -0.000 0.000 0.333 329 C C 0.508 175.481 174.990 -0.028 0.000 1.183 329 C CA -0.725 58.322 59.018 0.049 0.000 1.692 329 C CB -0.792 27.073 27.740 0.208 0.000 2.274 329 C HN 0.696 nan 8.230 nan 0.000 0.509 330 C N 2.415 121.603 119.300 -0.187 0.000 2.399 330 C HA 0.637 5.096 4.460 -0.000 0.000 0.348 330 C C -0.585 174.278 174.990 -0.211 0.000 1.183 330 C CA -0.617 58.271 59.018 -0.216 0.000 2.023 330 C CB 0.552 27.958 27.740 -0.557 0.000 2.361 330 C HN 0.898 nan 8.230 nan 0.000 0.521 331 W N 1.363 122.721 121.300 0.097 0.000 2.554 331 W HA 0.468 5.128 4.660 -0.000 0.000 0.324 331 W C -0.279 176.345 176.519 0.175 0.000 1.018 331 W CA -0.553 56.886 57.345 0.156 0.000 1.243 331 W CB 0.690 30.301 29.460 0.251 0.000 1.345 331 W HN 0.447 nan 8.180 nan 0.000 0.441 332 K N 3.010 123.577 120.400 0.279 0.000 2.383 332 K HA 0.595 4.915 4.320 -0.000 0.000 0.286 332 K C 0.478 177.204 176.600 0.210 0.000 1.051 332 K CA 0.201 56.623 56.287 0.226 0.000 0.974 332 K CB 0.493 33.064 32.500 0.119 0.000 0.968 332 K HN 0.713 nan 8.250 nan 0.000 0.475 333 G N 1.949 110.867 108.800 0.196 0.000 2.362 333 G HA2 -0.067 3.893 3.960 -0.000 0.000 0.656 333 G HA3 -0.067 3.893 3.960 -0.000 0.000 0.656 333 G C -0.363 174.615 174.900 0.131 0.000 1.376 333 G CA -0.887 44.244 45.100 0.052 0.000 0.971 333 G HN 0.466 nan 8.290 nan 0.000 0.636 334 F N -0.615 119.437 119.950 0.169 0.000 2.731 334 F HA 0.510 5.037 4.527 -0.000 0.000 0.298 334 F C 0.836 176.735 175.800 0.166 0.000 1.106 334 F CA -0.117 57.963 58.000 0.133 0.000 1.329 334 F CB 0.046 39.096 39.000 0.085 0.000 1.100 334 F HN 0.668 nan 8.300 nan 0.000 0.592 335 E N 1.765 122.129 120.200 0.274 0.000 2.415 335 E HA -0.066 4.284 4.350 -0.000 0.000 0.263 335 E C -0.702 176.138 176.600 0.400 0.000 0.995 335 E CA -0.552 56.054 56.400 0.344 0.000 0.915 335 E CB 0.330 30.194 29.700 0.273 0.000 0.951 335 E HN 0.152 nan 8.360 nan 0.000 0.449 336 F N 5.751 125.817 119.950 0.193 0.000 2.533 336 F HA -0.006 4.521 4.527 -0.000 0.000 0.378 336 F C 0.834 176.734 175.800 0.166 0.000 1.070 336 F CA -0.419 57.648 58.000 0.112 0.000 1.172 336 F CB 0.549 39.554 39.000 0.008 0.000 1.085 336 F HN 0.372 nan 8.300 nan 0.000 0.552 337 V N 7.561 127.584 119.914 0.181 0.000 2.568 337 V HA -0.351 3.769 4.120 -0.000 0.000 0.253 337 V C 1.875 177.856 176.094 -0.189 0.000 1.072 337 V CA 1.725 64.015 62.300 -0.017 0.000 1.084 337 V CB -1.080 30.605 31.823 -0.230 0.000 0.676 337 V HN 0.725 nan 8.190 nan 0.000 0.469 338 Y N 0.811 120.586 120.300 -0.875 0.000 2.403 338 Y HA -0.129 4.421 4.550 -0.000 0.000 0.291 338 Y C 2.383 178.060 175.900 -0.371 0.000 1.143 338 Y CA 0.596 58.223 58.100 -0.789 0.000 1.257 338 Y CB -1.210 36.511 38.460 -1.231 0.000 0.984 338 Y HN 0.397 nan 8.280 nan 0.000 0.550 339 N N -0.600 118.024 118.700 -0.126 0.000 2.258 339 N HA -0.213 4.527 4.740 -0.000 0.000 0.187 339 N C 1.054 176.451 175.510 -0.189 0.000 1.012 339 N CA 1.299 54.321 53.050 -0.046 0.000 0.870 339 N CB -0.727 37.678 38.487 -0.135 0.000 0.977 339 N HN 0.418 nan 8.380 nan 0.000 0.434 340 Y N -0.321 119.870 120.300 -0.182 0.000 2.461 340 Y HA 0.299 4.849 4.550 -0.000 0.000 0.277 340 Y C 0.932 176.553 175.900 -0.466 0.000 1.182 340 Y CA 0.055 57.967 58.100 -0.313 0.000 1.276 340 Y CB 0.284 38.388 38.460 -0.593 0.000 1.087 340 Y HN -0.055 nan 8.280 nan 0.000 0.519 341 L N -0.260 120.730 121.223 -0.388 0.000 3.141 341 L HA 0.242 4.582 4.340 -0.000 0.000 0.267 341 L C -0.825 175.469 176.870 -0.960 0.000 1.281 341 L CA -0.367 54.066 54.840 -0.678 0.000 1.037 341 L CB -0.328 41.206 42.059 -0.874 0.000 1.407 341 L HN 0.073 nan 8.230 nan 0.000 0.566 342 Y N -0.016 120.003 120.300 -0.468 0.000 2.346 342 Y HA 0.060 4.609 4.550 -0.000 0.000 0.330 342 Y C 1.477 177.187 175.900 -0.317 0.000 1.178 342 Y CA -0.080 57.828 58.100 -0.321 0.000 1.331 342 Y CB 1.018 39.431 38.460 -0.078 0.000 1.253 342 Y HN 0.085 nan 8.280 nan 0.000 0.529 343 L N 2.031 123.190 121.223 -0.107 0.000 2.083 343 L HA -0.255 4.085 4.340 -0.000 0.000 0.209 343 L C 2.362 179.163 176.870 -0.114 0.000 1.083 343 L CA 1.337 56.046 54.840 -0.218 0.000 0.752 343 L CB -0.609 41.401 42.059 -0.082 0.000 0.899 343 L HN 0.890 nan 8.230 nan 0.000 0.433 344 A N 0.408 123.248 122.820 0.033 0.000 1.978 344 A HA -0.243 4.077 4.320 -0.000 0.000 0.220 344 A C 1.959 179.553 177.584 0.017 0.000 1.170 344 A CA 2.294 54.355 52.037 0.041 0.000 0.636 344 A CB -0.738 18.306 19.000 0.074 0.000 0.810 344 A HN 0.548 nan 8.150 nan 0.000 0.448 345 N N -0.407 118.294 118.700 0.002 0.000 2.250 345 N HA 0.072 4.811 4.740 -0.000 0.000 0.181 345 N C 1.438 176.951 175.510 0.004 0.000 1.017 345 N CA 0.926 53.983 53.050 0.012 0.000 0.866 345 N CB -0.186 38.313 38.487 0.020 0.000 0.985 345 N HN 0.409 nan 8.380 nan 0.000 0.429 346 L N 0.355 121.509 121.223 -0.116 0.000 2.376 346 L HA 0.024 4.364 4.340 -0.000 0.000 0.219 346 L C 1.592 178.513 176.870 0.084 0.000 1.133 346 L CA 0.731 55.485 54.840 -0.144 0.000 0.816 346 L CB -0.060 41.629 42.059 -0.616 0.000 0.933 346 L HN 0.114 nan 8.230 nan 0.000 0.449 347 R N -0.370 120.158 120.500 0.048 0.000 2.317 347 R HA 0.094 4.434 4.340 -0.000 0.000 0.208 347 R C 0.334 176.746 176.300 0.187 0.000 0.914 347 R CA -0.099 56.098 56.100 0.162 0.000 1.060 347 R CB 0.170 30.507 30.300 0.062 0.000 1.015 347 R HN 0.382 nan 8.270 nan 0.000 0.498 348 E N 0.769 121.095 120.200 0.209 0.000 2.369 348 E HA 0.066 4.416 4.350 -0.000 0.000 0.255 348 E C -0.215 176.559 176.600 0.290 0.000 1.172 348 E CA -0.515 55.997 56.400 0.186 0.000 0.932 348 E CB 0.587 30.366 29.700 0.132 0.000 1.040 348 E HN 0.043 nan 8.360 nan 0.000 0.454 349 N N 0.951 119.781 118.700 0.217 0.000 2.415 349 N HA -0.092 4.648 4.740 -0.000 0.000 0.248 349 N C 0.530 176.265 175.510 0.375 0.000 1.271 349 N CA 0.049 53.263 53.050 0.273 0.000 0.913 349 N CB 0.361 38.950 38.487 0.171 0.000 1.129 349 N HN 0.640 nan 8.380 nan 0.000 0.444 350 W N 1.591 123.043 121.300 0.254 0.000 2.338 350 W HA -0.189 4.471 4.660 -0.000 0.000 0.304 350 W C 1.014 177.590 176.519 0.095 0.000 1.212 350 W CA 0.987 58.472 57.345 0.233 0.000 1.264 350 W CB 0.273 29.892 29.460 0.266 0.000 1.142 350 W HN 0.512 nan 8.180 nan 0.000 0.512 351 E N 0.822 120.999 120.200 -0.039 0.000 2.153 351 E HA -0.216 4.134 4.350 -0.000 0.000 0.194 351 E C 1.666 178.150 176.600 -0.194 0.000 0.988 351 E CA 1.682 57.964 56.400 -0.196 0.000 0.811 351 E CB -0.386 29.290 29.700 -0.041 0.000 0.746 351 E HN 0.419 nan 8.360 nan 0.000 0.466 352 E N -0.022 120.133 120.200 -0.074 0.000 2.112 352 E HA -0.059 4.291 4.350 -0.000 0.000 0.190 352 E C 2.212 178.777 176.600 -0.059 0.000 0.979 352 E CA 0.357 56.735 56.400 -0.036 0.000 0.814 352 E CB -0.154 29.564 29.700 0.030 0.000 0.762 352 E HN -0.004 nan 8.360 nan 0.000 0.460 353 V N 1.393 121.255 119.914 -0.087 0.000 2.287 353 V HA -0.304 3.815 4.120 -0.000 0.000 0.248 353 V C 1.993 177.945 176.094 -0.237 0.000 1.053 353 V CA 1.875 64.115 62.300 -0.101 0.000 1.027 353 V CB -0.387 31.405 31.823 -0.051 0.000 0.646 353 V HN 0.228 nan 8.190 nan 0.000 0.447 354 K N 0.060 120.095 120.400 -0.608 0.000 2.025 354 K HA -0.218 4.102 4.320 -0.000 0.000 0.207 354 K C 2.289 178.773 176.600 -0.192 0.000 1.049 354 K CA 1.576 57.472 56.287 -0.653 0.000 0.933 354 K CB -0.255 31.615 32.500 -1.051 0.000 0.714 354 K HN 0.348 nan 8.250 nan 0.000 0.438 355 K N 1.205 121.510 120.400 -0.159 0.000 2.044 355 K HA -0.187 4.133 4.320 -0.000 0.000 0.210 355 K C 1.753 178.383 176.600 0.050 0.000 1.049 355 K CA 1.683 57.948 56.287 -0.037 0.000 0.927 355 K CB -0.010 32.471 32.500 -0.032 0.000 0.713 355 K HN 0.050 nan 8.250 nan 0.000 0.443 356 N N 0.348 119.092 118.700 0.074 0.000 2.272 356 N HA -0.144 4.596 4.740 -0.000 0.000 0.185 356 N C 1.278 176.969 175.510 0.301 0.000 1.014 356 N CA 1.341 54.499 53.050 0.179 0.000 0.870 356 N CB -0.208 38.385 38.487 0.178 0.000 0.975 356 N HN 0.320 nan 8.380 nan 0.000 0.433 357 A N 0.194 123.161 122.820 0.245 0.000 2.251 357 A HA 0.133 4.453 4.320 -0.000 0.000 0.209 357 A C 2.054 179.700 177.584 0.104 0.000 1.187 357 A CA -0.007 52.159 52.037 0.215 0.000 0.823 357 A CB -0.088 19.028 19.000 0.192 0.000 0.846 357 A HN 0.104 nan 8.150 nan 0.000 0.486 358 R N 0.203 120.779 120.500 0.126 0.000 2.127 358 R HA -0.092 4.248 4.340 -0.000 0.000 0.238 358 R C 1.032 177.377 176.300 0.076 0.000 1.134 358 R CA 1.604 57.755 56.100 0.086 0.000 0.975 358 R CB -0.090 30.256 30.300 0.077 0.000 0.865 358 R HN 0.400 nan 8.270 nan 0.000 0.447 359 K N -0.533 119.940 120.400 0.122 0.000 2.399 359 K HA 0.249 4.569 4.320 -0.000 0.000 0.204 359 K C -0.120 176.554 176.600 0.123 0.000 1.023 359 K CA -0.299 56.064 56.287 0.127 0.000 1.127 359 K CB 1.360 33.958 32.500 0.163 0.000 0.856 359 K HN 0.070 nan 8.250 nan 0.000 0.514 360 A N 2.643 125.450 122.820 -0.023 0.000 2.366 360 A HA 0.284 4.604 4.320 -0.000 0.000 0.249 360 A C -2.271 175.318 177.584 0.009 0.000 1.084 360 A CA -1.085 50.804 52.037 -0.246 0.000 0.794 360 A CB -0.222 18.448 19.000 -0.550 0.000 1.034 360 A HN -0.028 nan 8.150 nan 0.000 0.491 361 P HA 0.057 nan 4.420 nan 0.000 0.265 361 P C -0.668 176.834 177.300 0.338 0.000 1.187 361 P CA 0.248 63.504 63.100 0.261 0.000 0.766 361 P CB 0.340 32.282 31.700 0.403 0.000 0.820 362 Q N 4.042 123.962 119.800 0.199 0.000 2.274 362 Q HA 0.271 4.611 4.340 -0.000 0.000 0.256 362 Q C -2.110 173.852 176.000 -0.062 0.000 0.927 362 Q CA -1.778 54.057 55.803 0.054 0.000 0.939 362 Q CB 0.955 29.683 28.738 -0.017 0.000 1.201 362 Q HN 0.362 nan 8.270 nan 0.000 0.426 363 P HA 0.161 nan 4.420 nan 0.000 0.275 363 P C -0.827 176.260 177.300 -0.356 0.000 1.228 363 P CA -0.077 62.553 63.100 -0.782 0.000 0.786 363 P CB 1.168 32.172 31.700 -1.160 0.000 0.927 364 E N 1.343 121.360 120.200 -0.305 0.000 2.388 364 E HA 0.290 4.640 4.350 -0.000 0.000 0.289 364 E C -1.541 174.980 176.600 -0.131 0.000 0.944 364 E CA -0.756 55.551 56.400 -0.155 0.000 0.792 364 E CB 1.867 31.470 29.700 -0.161 0.000 1.239 364 E HN 0.056 nan 8.360 nan 0.000 0.412 365 V N 4.377 124.272 119.914 -0.031 0.000 2.461 365 V HA 0.442 4.562 4.120 -0.000 0.000 0.275 365 V C 0.156 176.166 176.094 -0.139 0.000 1.047 365 V CA -0.051 62.209 62.300 -0.068 0.000 0.955 365 V CB 0.859 32.633 31.823 -0.082 0.000 0.988 365 V HN 0.577 nan 8.190 nan 0.000 0.471 366 R N 3.518 123.907 120.500 -0.185 0.000 2.686 366 R HA 0.600 4.940 4.340 -0.000 0.000 0.286 366 R C -0.480 175.671 176.300 -0.248 0.000 0.969 366 R CA -0.902 55.027 56.100 -0.285 0.000 0.898 366 R CB 2.578 32.633 30.300 -0.408 0.000 1.183 366 R HN 0.680 nan 8.270 nan 0.000 0.456 367 R N 2.875 123.191 120.500 -0.306 0.000 2.265 367 R HA 0.269 4.609 4.340 -0.000 0.000 0.328 367 R C -1.287 174.793 176.300 -0.366 0.000 0.969 367 R CA -0.332 55.635 56.100 -0.223 0.000 0.832 367 R CB 0.609 30.810 30.300 -0.164 0.000 1.139 367 R HN 0.528 nan 8.270 nan 0.000 0.457 368 Y N 2.499 122.719 120.300 -0.134 0.000 2.387 368 Y HA 0.432 4.982 4.550 -0.000 0.000 0.330 368 Y C -0.140 175.671 175.900 -0.148 0.000 1.133 368 Y CA -0.656 57.361 58.100 -0.139 0.000 1.152 368 Y CB 2.203 40.580 38.460 -0.140 0.000 1.215 368 Y HN 0.195 nan 8.280 nan 0.000 0.466 369 V N 4.767 124.684 119.914 0.005 0.000 2.443 369 V HA 0.308 4.428 4.120 -0.000 0.000 0.293 369 V C -1.095 175.005 176.094 0.010 0.000 1.021 369 V CA -0.772 61.505 62.300 -0.037 0.000 0.848 369 V CB 1.257 33.014 31.823 -0.110 0.000 0.998 369 V HN 0.407 nan 8.190 nan 0.000 0.424 370 L N 8.140 129.330 121.223 -0.055 0.000 2.265 370 L HA 0.551 4.891 4.340 -0.000 0.000 0.289 370 L C -2.362 174.537 176.870 0.048 0.000 1.033 370 L CA -2.003 52.735 54.840 -0.171 0.000 0.814 370 L CB 1.137 42.780 42.059 -0.694 0.000 1.203 370 L HN 0.373 nan 8.230 nan 0.000 0.423 371 P HA 0.150 nan 4.420 nan 0.000 0.271 371 P C 0.693 177.964 177.300 -0.049 0.000 1.220 371 P CA -0.028 63.072 63.100 0.001 0.000 0.768 371 P CB 0.777 32.533 31.700 0.093 0.000 0.848 372 L N 1.401 122.473 121.223 -0.251 0.000 2.307 372 L HA 0.090 4.430 4.340 -0.000 0.000 0.211 372 L C 0.655 177.448 176.870 -0.127 0.000 1.099 372 L CA 0.821 55.559 54.840 -0.170 0.000 0.816 372 L CB -0.241 41.667 42.059 -0.251 0.000 0.952 372 L HN 0.340 nan 8.230 nan 0.000 0.455 373 N N 1.387 119.978 118.700 -0.182 0.000 2.444 373 N HA 0.313 5.053 4.740 -0.000 0.000 0.262 373 N C -0.750 174.705 175.510 -0.091 0.000 0.974 373 N CA -0.235 52.743 53.050 -0.120 0.000 0.933 373 N CB 2.120 40.532 38.487 -0.125 0.000 1.137 373 N HN -0.082 nan 8.380 nan 0.000 0.498 374 I N 1.473 122.003 120.570 -0.066 0.000 2.328 374 I HA 0.199 4.369 4.170 -0.000 0.000 0.287 374 I C 0.241 176.335 176.117 -0.039 0.000 1.012 374 I CA -0.603 60.666 61.300 -0.051 0.000 1.195 374 I CB 0.803 38.759 38.000 -0.074 0.000 1.350 374 I HN 0.299 nan 8.210 nan 0.000 0.464 375 D N 6.625 127.010 120.400 -0.024 0.000 2.414 375 D HA 0.185 4.825 4.640 -0.000 0.000 0.232 375 D C 0.981 177.274 176.300 -0.012 0.000 1.070 375 D CA -0.394 53.596 54.000 -0.017 0.000 0.839 375 D CB 1.449 42.243 40.800 -0.010 0.000 1.079 375 D HN 0.194 nan 8.370 nan 0.000 0.521 376 K N 2.564 122.955 120.400 -0.015 0.000 2.218 376 K HA -0.137 4.183 4.320 -0.000 0.000 0.205 376 K C 1.543 178.139 176.600 -0.007 0.000 1.046 376 K CA 0.924 57.203 56.287 -0.013 0.000 0.933 376 K CB -0.246 32.245 32.500 -0.015 0.000 0.728 376 K HN 0.542 nan 8.250 nan 0.000 0.454 377 A N 1.536 124.354 122.820 -0.004 0.000 2.076 377 A HA -0.156 4.164 4.320 -0.000 0.000 0.220 377 A C 1.218 178.804 177.584 0.003 0.000 1.160 377 A CA 1.583 53.619 52.037 -0.001 0.000 0.653 377 A CB -0.127 18.873 19.000 0.000 0.000 0.801 377 A HN 0.176 nan 8.150 nan 0.000 0.455 378 D N -0.163 120.241 120.400 0.006 0.000 2.325 378 D HA 0.075 4.715 4.640 -0.000 0.000 0.225 378 D C -0.017 176.290 176.300 0.013 0.000 1.096 378 D CA 0.240 54.248 54.000 0.013 0.000 0.844 378 D CB -0.227 40.586 40.800 0.022 0.000 0.925 378 D HN 0.183 nan 8.370 nan 0.000 0.513 379 T N 0.061 114.618 114.554 0.006 0.000 2.891 379 T HA 0.263 4.613 4.350 -0.000 0.000 0.296 379 T C 1.487 176.192 174.700 0.008 0.000 1.025 379 T CA 1.229 63.332 62.100 0.004 0.000 1.149 379 T CB 0.767 69.633 68.868 -0.003 0.000 1.007 379 T HN 0.386 nan 8.240 nan 0.000 0.528 380 G N 2.873 111.681 108.800 0.013 0.000 2.175 380 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.244 380 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.244 380 G C 0.088 175.001 174.900 0.022 0.000 0.982 380 G CA 0.172 45.279 45.100 0.013 0.000 0.641 380 G HN 0.667 nan 8.290 nan 0.000 0.527 381 K N -0.165 120.252 120.400 0.029 0.000 2.238 381 K HA 0.492 4.812 4.320 -0.000 0.000 0.239 381 K C -0.334 176.297 176.600 0.051 0.000 0.987 381 K CA -0.976 55.331 56.287 0.034 0.000 0.857 381 K CB 0.960 33.477 32.500 0.028 0.000 1.154 381 K HN 0.081 nan 8.250 nan 0.000 0.439 382 N N 1.708 120.439 118.700 0.050 0.000 2.442 382 N HA 0.047 4.787 4.740 -0.000 0.000 0.265 382 N C 0.235 175.788 175.510 0.072 0.000 1.138 382 N CA 0.120 53.206 53.050 0.061 0.000 0.956 382 N CB 0.408 38.920 38.487 0.041 0.000 1.067 382 N HN 0.549 nan 8.380 nan 0.000 0.474 383 L N 2.403 123.690 121.223 0.106 0.000 2.509 383 L HA 0.165 4.505 4.340 -0.000 0.000 0.222 383 L C 0.184 177.200 176.870 0.243 0.000 1.123 383 L CA 0.083 55.019 54.840 0.159 0.000 0.856 383 L CB 0.181 42.342 42.059 0.170 0.000 0.985 383 L HN 0.356 nan 8.230 nan 0.000 0.456 384 V N 1.178 121.161 119.914 0.114 0.000 2.313 384 V HA 0.005 4.125 4.120 -0.000 0.000 0.252 384 V C 1.417 177.406 176.094 -0.174 0.000 1.112 384 V CA 0.422 62.662 62.300 -0.099 0.000 0.984 384 V CB 0.391 32.113 31.823 -0.168 0.000 1.157 384 V HN 0.375 nan 8.190 nan 0.000 0.493 385 T N 1.714 116.178 114.554 -0.149 0.000 3.122 385 T HA 0.307 4.657 4.350 -0.000 0.000 0.250 385 T C 0.476 175.063 174.700 -0.189 0.000 1.067 385 T CA -0.186 61.865 62.100 -0.082 0.000 0.966 385 T CB -0.208 68.698 68.868 0.063 0.000 1.002 385 T HN 0.321 nan 8.240 nan 0.000 0.542 386 L N 2.680 123.664 121.223 -0.398 0.000 2.485 386 L HA 0.207 4.547 4.340 -0.000 0.000 0.275 386 L C -0.688 176.060 176.870 -0.204 0.000 1.207 386 L CA -1.519 53.123 54.840 -0.331 0.000 0.855 386 L CB 0.454 42.255 42.059 -0.430 0.000 1.114 386 L HN 0.050 nan 8.230 nan 0.000 0.485 387 P HA -0.022 nan 4.420 nan 0.000 0.231 387 P C 0.150 177.391 177.300 -0.097 0.000 1.168 387 P CA 0.795 63.829 63.100 -0.109 0.000 0.779 387 P CB 0.371 32.017 31.700 -0.090 0.000 0.844 388 N N -0.492 118.146 118.700 -0.103 0.000 2.401 388 N HA 0.120 4.860 4.740 -0.000 0.000 0.264 388 N C -0.303 175.148 175.510 -0.100 0.000 1.238 388 N CA 0.216 53.214 53.050 -0.086 0.000 0.889 388 N CB 0.947 39.395 38.487 -0.065 0.000 1.196 388 N HN 0.073 nan 8.380 nan 0.000 0.511 389 T N -1.076 113.406 114.554 -0.120 0.000 2.883 389 T HA 0.318 4.668 4.350 -0.000 0.000 0.301 389 T C 0.594 175.222 174.700 -0.121 0.000 1.158 389 T CA -0.426 61.597 62.100 -0.128 0.000 1.007 389 T CB 1.213 69.988 68.868 -0.156 0.000 1.186 389 T HN 0.125 nan 8.240 nan 0.000 0.499 390 T N 0.332 114.816 114.554 -0.117 0.000 3.054 390 T HA 0.563 4.913 4.350 -0.000 0.000 0.255 390 T C 0.890 175.525 174.700 -0.108 0.000 1.035 390 T CA 0.188 62.227 62.100 -0.102 0.000 0.941 390 T CB -0.048 68.765 68.868 -0.092 0.000 1.026 390 T HN 0.816 nan 8.240 nan 0.000 0.533 391 A N 2.314 125.054 122.820 -0.134 0.000 2.483 391 A HA 0.549 4.869 4.320 -0.000 0.000 0.238 391 A C 0.797 178.329 177.584 -0.087 0.000 1.070 391 A CA -0.052 51.905 52.037 -0.134 0.000 0.770 391 A CB -0.057 18.845 19.000 -0.164 0.000 1.008 391 A HN 0.690 nan 8.150 nan 0.000 0.497 392 T N -1.838 112.693 114.554 -0.039 0.000 2.901 392 T HA 0.800 5.150 4.350 -0.000 0.000 0.293 392 T C -0.642 174.093 174.700 0.058 0.000 1.084 392 T CA -0.140 61.966 62.100 0.011 0.000 1.008 392 T CB 1.965 70.857 68.868 0.041 0.000 1.170 392 T HN 1.986 nan 8.240 nan 0.000 0.509 393 A N 1.841 124.717 122.820 0.093 0.000 2.476 393 A HA 0.682 5.002 4.320 -0.000 0.000 0.280 393 A C -0.928 176.741 177.584 0.141 0.000 1.081 393 A CA -0.805 51.312 52.037 0.132 0.000 0.753 393 A CB 0.471 19.568 19.000 0.161 0.000 1.248 393 A HN 0.846 nan 8.150 nan 0.000 0.424 394 I N 2.633 123.308 120.570 0.174 0.000 2.354 394 I HA 0.309 4.479 4.170 -0.000 0.000 0.292 394 I C -0.280 175.911 176.117 0.124 0.000 0.989 394 I CA -0.776 60.613 61.300 0.148 0.000 1.188 394 I CB 1.722 39.823 38.000 0.169 0.000 1.342 394 I HN 0.602 nan 8.210 nan 0.000 0.457 395 L N 7.876 129.144 121.223 0.075 0.000 2.325 395 L HA 0.328 4.668 4.340 -0.000 0.000 0.284 395 L C -0.225 176.661 176.870 0.026 0.000 1.089 395 L CA 0.315 55.178 54.840 0.038 0.000 0.836 395 L CB 0.004 42.074 42.059 0.019 0.000 1.184 395 L HN 0.688 nan 8.230 nan 0.000 0.444 396 C N 2.169 121.480 119.300 0.018 0.000 2.347 396 C HA 0.342 4.802 4.460 -0.000 0.000 0.366 396 C C 2.029 177.011 174.990 -0.014 0.000 1.241 396 C CA -0.512 58.507 59.018 0.001 0.000 2.360 396 C CB 1.275 29.014 27.740 -0.002 0.000 2.290 396 C HN 0.958 nan 8.230 nan 0.000 0.587 397 S N 1.355 117.044 115.700 -0.018 0.000 2.423 397 S HA -0.137 4.333 4.470 -0.000 0.000 0.231 397 S C 1.346 175.931 174.600 -0.025 0.000 1.014 397 S CA 1.549 59.737 58.200 -0.020 0.000 0.965 397 S CB -0.369 62.820 63.200 -0.018 0.000 0.785 397 S HN 0.944 nan 8.310 nan 0.000 0.495 398 D N 0.786 121.169 120.400 -0.029 0.000 2.336 398 D HA -0.018 4.622 4.640 -0.000 0.000 0.229 398 D C 0.450 176.721 176.300 -0.050 0.000 1.061 398 D CA 0.265 54.244 54.000 -0.035 0.000 0.875 398 D CB -0.470 40.309 40.800 -0.035 0.000 0.904 398 D HN 0.437 nan 8.370 nan 0.000 0.525 399 E N -1.329 118.840 120.200 -0.051 0.000 4.153 399 E HA -0.192 4.158 4.350 -0.000 0.000 0.376 399 E C -0.034 176.505 176.600 -0.103 0.000 0.598 399 E CA 1.106 57.463 56.400 -0.072 0.000 1.343 399 E CB -2.436 27.220 29.700 -0.074 0.000 1.793 399 E HN 0.597 nan 8.360 nan 0.000 0.392 400 T N -0.040 114.459 114.554 -0.092 0.000 2.932 400 T HA 0.437 4.787 4.350 -0.000 0.000 0.312 400 T C 0.303 174.974 174.700 -0.048 0.000 1.071 400 T CA -0.166 61.871 62.100 -0.106 0.000 1.128 400 T CB 0.831 69.652 68.868 -0.078 0.000 0.984 400 T HN 0.144 nan 8.240 nan 0.000 0.549 401 I N 3.003 123.533 120.570 -0.066 0.000 2.359 401 I HA 0.265 4.435 4.170 -0.000 0.000 0.284 401 I C -0.139 176.057 176.117 0.133 0.000 1.018 401 I CA -0.658 60.657 61.300 0.026 0.000 1.173 401 I CB 0.967 38.946 38.000 -0.036 0.000 1.326 401 I HN 0.680 nan 8.210 nan 0.000 0.462 402 W N 8.250 129.560 121.300 0.016 0.000 2.322 402 W HA 0.497 5.157 4.660 -0.000 0.000 0.307 402 W C -1.551 175.022 176.519 0.089 0.000 1.220 402 W CA -0.618 56.751 57.345 0.041 0.000 1.210 402 W CB 0.930 30.407 29.460 0.027 0.000 1.223 402 W HN 0.332 nan 8.180 nan 0.000 0.511 403 L N 6.119 127.044 121.223 -0.496 0.000 2.325 403 L HA 0.397 4.737 4.340 -0.000 0.000 0.278 403 L C 0.224 176.966 176.870 -0.213 0.000 1.023 403 L CA -0.766 53.957 54.840 -0.194 0.000 0.811 403 L CB 1.692 43.721 42.059 -0.050 0.000 1.249 403 L HN 0.297 nan 8.230 nan 0.000 0.431 404 E N 3.514 123.715 120.200 0.003 0.000 2.199 404 E HA 0.465 4.815 4.350 -0.000 0.000 0.269 404 E C -2.526 173.989 176.600 -0.140 0.000 0.899 404 E CA -1.698 54.708 56.400 0.011 0.000 0.772 404 E CB 2.645 32.385 29.700 0.068 0.000 1.155 404 E HN 0.282 nan 8.360 nan 0.000 0.408 405 P HA 0.182 nan 4.420 nan 0.000 0.281 405 P C -0.684 176.395 177.300 -0.369 0.000 1.264 405 P CA -0.495 62.191 63.100 -0.690 0.000 0.824 405 P CB 1.214 32.303 31.700 -1.017 0.000 1.092 406 E N 0.817 120.806 120.200 -0.351 0.000 2.167 406 E HA 0.281 4.631 4.350 -0.000 0.000 0.284 406 E C -0.781 175.671 176.600 -0.247 0.000 1.016 406 E CA -0.776 55.479 56.400 -0.241 0.000 0.817 406 E CB 0.732 30.314 29.700 -0.196 0.000 1.080 406 E HN 0.104 nan 8.360 nan 0.000 0.397 407 V N 6.999 126.793 119.914 -0.201 0.000 2.508 407 V HA 0.018 4.138 4.120 -0.000 0.000 0.281 407 V C 1.153 177.158 176.094 -0.148 0.000 1.041 407 V CA 0.164 62.355 62.300 -0.181 0.000 1.016 407 V CB 0.957 32.685 31.823 -0.159 0.000 0.984 407 V HN 0.814 nan 8.190 nan 0.000 0.478 408 L N 4.681 125.826 121.223 -0.131 0.000 2.463 408 L HA 0.412 4.752 4.340 -0.000 0.000 0.219 408 L C 0.171 177.026 176.870 -0.025 0.000 1.088 408 L CA 0.687 55.465 54.840 -0.104 0.000 0.849 408 L CB 0.216 42.196 42.059 -0.130 0.000 1.012 408 L HN 0.580 nan 8.230 nan 0.000 0.468 409 F N -0.379 119.446 119.950 -0.209 0.000 2.639 409 F HA 0.505 5.032 4.527 -0.000 0.000 0.320 409 F C -1.047 174.659 175.800 -0.156 0.000 1.128 409 F CA -0.555 57.331 58.000 -0.190 0.000 1.037 409 F CB 1.737 40.581 39.000 -0.259 0.000 1.288 409 F HN -0.333 nan 8.300 nan 0.000 0.463 410 S N 3.733 118.979 115.700 -0.756 0.000 2.652 410 S HA 0.757 5.227 4.470 -0.000 0.000 0.273 410 S C -1.042 173.186 174.600 -0.620 0.000 1.172 410 S CA 0.072 57.961 58.200 -0.519 0.000 1.009 410 S CB 0.976 64.005 63.200 -0.284 0.000 1.094 410 S HN 1.348 nan 8.310 nan 0.000 0.471 411 G N 3.652 112.158 108.800 -0.491 0.000 2.620 411 G HA2 0.677 4.637 3.960 -0.000 0.000 0.301 411 G HA3 0.677 4.637 3.960 -0.000 0.000 0.301 411 G C -3.410 171.378 174.900 -0.186 0.000 1.347 411 G CA -1.683 43.222 45.100 -0.325 0.000 0.971 411 G HN 0.460 nan 8.290 nan 0.000 0.488 412 P HA 0.144 nan 4.420 nan 0.000 0.259 412 P C 0.223 177.411 177.300 -0.186 0.000 1.211 412 P CA 0.037 63.058 63.100 -0.131 0.000 0.810 412 P CB 0.185 31.834 31.700 -0.085 0.000 0.815 413 R N 0.375 120.735 120.500 -0.232 0.000 3.641 413 R HA -0.244 4.096 4.340 -0.000 0.000 0.286 413 R C 0.046 176.175 176.300 -0.285 0.000 1.153 413 R CA 0.556 56.437 56.100 -0.365 0.000 0.775 413 R CB -2.068 27.825 30.300 -0.678 0.000 1.215 413 R HN 0.454 nan 8.270 nan 0.000 0.474 414 Q N 0.605 120.331 119.800 -0.123 0.000 2.394 414 Q HA 0.601 4.941 4.340 -0.000 0.000 0.261 414 Q C -0.980 175.098 176.000 0.130 0.000 1.023 414 Q CA -0.075 55.752 55.803 0.041 0.000 0.720 414 Q CB 1.799 30.600 28.738 0.105 0.000 1.241 414 Q HN 0.352 nan 8.270 nan 0.000 0.483 415 A N 3.703 126.582 122.820 0.100 0.000 2.309 415 A HA 0.567 4.887 4.320 -0.000 0.000 0.298 415 A C -1.140 176.566 177.584 0.204 0.000 1.165 415 A CA -0.478 51.598 52.037 0.065 0.000 0.821 415 A CB 0.233 19.203 19.000 -0.050 0.000 1.102 415 A HN 0.790 nan 8.150 nan 0.000 0.500 416 F N 2.565 122.510 119.950 -0.008 0.000 2.390 416 F HA 0.491 5.018 4.527 -0.000 0.000 0.361 416 F C 0.265 176.065 175.800 0.001 0.000 1.124 416 F CA 0.247 58.141 58.000 -0.175 0.000 1.149 416 F CB 0.415 39.040 39.000 -0.625 0.000 1.160 416 F HN 0.627 nan 8.300 nan 0.000 0.501 417 E N 4.066 124.196 120.200 -0.117 0.000 2.459 417 E HA 0.316 4.666 4.350 -0.000 0.000 0.275 417 E C -0.494 176.160 176.600 0.091 0.000 0.987 417 E CA -0.843 55.625 56.400 0.114 0.000 0.828 417 E CB 1.604 31.511 29.700 0.344 0.000 1.428 417 E HN 0.584 nan 8.360 nan 0.000 0.457 418 F N -0.333 119.627 119.950 0.017 0.000 2.943 418 F HA -0.190 4.337 4.527 -0.000 0.000 0.258 418 F C -1.934 173.806 175.800 -0.099 0.000 0.995 418 F CA 0.200 58.120 58.000 -0.135 0.000 0.896 418 F CB -1.379 37.606 39.000 -0.026 0.000 0.821 418 F HN 0.039 nan 8.300 nan 0.000 0.828 419 P HA 0.153 nan 4.420 nan 0.000 0.274 419 P C -0.299 177.103 177.300 0.169 0.000 1.231 419 P CA 0.126 63.292 63.100 0.111 0.000 0.790 419 P CB 1.344 33.195 31.700 0.251 0.000 0.951 420 Q N 1.033 120.980 119.800 0.244 0.000 2.379 420 Q HA 0.566 4.906 4.340 -0.000 0.000 0.278 420 Q C -0.019 176.203 176.000 0.370 0.000 1.068 420 Q CA -0.635 55.337 55.803 0.281 0.000 0.816 420 Q CB 2.730 31.632 28.738 0.273 0.000 1.387 420 Q HN 0.575 nan 8.270 nan 0.000 0.413 421 I N -1.942 118.821 120.570 0.322 0.000 3.457 421 I HA 0.580 4.750 4.170 -0.000 0.000 0.307 421 I C 0.098 176.338 176.117 0.204 0.000 1.138 421 I CA -1.061 60.401 61.300 0.269 0.000 0.974 421 I CB 1.572 39.666 38.000 0.157 0.000 1.324 421 I HN 0.303 nan 8.210 nan 0.000 0.485 422 N N 1.363 120.056 118.700 -0.012 0.000 2.819 422 N HA -0.009 4.731 4.740 -0.000 0.000 0.284 422 N C 0.244 175.947 175.510 0.322 0.000 1.196 422 N CA 0.265 53.357 53.050 0.070 0.000 1.114 422 N CB -0.582 37.810 38.487 -0.158 0.000 1.437 422 N HN 0.775 nan 8.380 nan 0.000 0.518 423 Y N 2.236 122.671 120.300 0.226 0.000 2.181 423 Y HA -0.251 4.299 4.550 -0.000 0.000 0.288 423 Y C 2.309 178.316 175.900 0.178 0.000 1.146 423 Y CA 2.004 60.213 58.100 0.182 0.000 1.164 423 Y CB 0.067 38.629 38.460 0.170 0.000 0.982 423 Y HN 0.542 nan 8.280 nan 0.000 0.515 424 Q N 0.331 120.323 119.800 0.321 0.000 2.135 424 Q HA -0.254 4.086 4.340 -0.000 0.000 0.204 424 Q C 2.136 178.166 176.000 0.051 0.000 0.981 424 Q CA 2.347 58.265 55.803 0.192 0.000 0.856 424 Q CB -0.136 28.747 28.738 0.242 0.000 0.902 424 Q HN 0.458 nan 8.270 nan 0.000 0.425 425 K N -1.919 118.538 120.400 0.095 0.000 2.335 425 K HA 0.016 4.336 4.320 -0.000 0.000 0.195 425 K C 0.421 176.806 176.600 -0.358 0.000 1.058 425 K CA 0.342 56.571 56.287 -0.097 0.000 0.988 425 K CB 0.418 32.900 32.500 -0.031 0.000 0.880 425 K HN 0.223 nan 8.250 nan 0.000 0.513 426 Y N -0.508 119.758 120.300 -0.057 0.000 2.527 426 Y HA 0.332 4.882 4.550 -0.000 0.000 0.247 426 Y C 0.791 176.580 175.900 -0.184 0.000 1.138 426 Y CA -0.621 57.427 58.100 -0.086 0.000 1.228 426 Y CB 1.134 39.583 38.460 -0.019 0.000 1.252 426 Y HN -0.018 nan 8.280 nan 0.000 0.531 427 G N 0.187 108.866 108.800 -0.201 0.000 2.343 427 G HA2 0.362 4.322 3.960 -0.000 0.000 0.254 427 G HA3 0.362 4.322 3.960 -0.000 0.000 0.254 427 G C 1.066 175.796 174.900 -0.284 0.000 1.277 427 G CA 0.486 45.343 45.100 -0.405 0.000 0.909 427 G HN 0.606 nan 8.290 nan 0.000 0.502 428 G N 1.274 109.970 108.800 -0.174 0.000 2.159 428 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.256 428 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.256 428 G C 0.363 175.268 174.900 0.009 0.000 0.977 428 G CA 0.815 45.859 45.100 -0.094 0.000 0.652 428 G HN 0.849 nan 8.290 nan 0.000 0.531 429 K N -0.123 120.278 120.400 0.002 0.000 2.480 429 K HA 0.538 4.858 4.320 -0.000 0.000 0.258 429 K C -2.913 173.589 176.600 -0.164 0.000 0.990 429 K CA -2.458 53.819 56.287 -0.016 0.000 0.857 429 K CB 2.315 34.755 32.500 -0.100 0.000 1.384 429 K HN -0.133 nan 8.250 nan 0.000 0.446 430 P HA -0.087 nan 4.420 nan 0.000 0.264 430 P C -1.460 175.710 177.300 -0.217 0.000 1.183 430 P CA 0.554 63.130 63.100 -0.874 0.000 0.763 430 P CB -0.002 31.419 31.700 -0.464 0.000 0.807 431 Y N -1.017 118.999 120.300 -0.473 0.000 2.670 431 Y HA 0.620 5.170 4.550 -0.000 0.000 0.334 431 Y C 0.112 175.833 175.900 -0.299 0.000 1.185 431 Y CA -0.845 57.123 58.100 -0.220 0.000 1.053 431 Y CB 0.670 39.067 38.460 -0.105 0.000 1.298 431 Y HN 0.153 nan 8.280 nan 0.000 0.459 432 T N -0.766 113.383 114.554 -0.675 0.000 2.989 432 T HA 0.237 4.587 4.350 -0.000 0.000 0.250 432 T C -1.126 172.948 174.700 -1.044 0.000 0.981 432 T CA 0.327 61.841 62.100 -0.976 0.000 0.980 432 T CB 0.042 68.209 68.868 -1.168 0.000 1.133 432 T HN 0.504 nan 8.240 nan 0.000 0.489 433 Y N 1.210 121.308 120.300 -0.337 0.000 2.409 433 Y HA 0.773 5.323 4.550 -0.000 0.000 0.343 433 Y C -0.081 175.693 175.900 -0.209 0.000 0.973 433 Y CA -1.871 56.032 58.100 -0.329 0.000 1.064 433 Y CB 1.425 39.622 38.460 -0.438 0.000 1.207 433 Y HN 0.105 nan 8.280 nan 0.000 0.452 434 A N 2.424 125.181 122.820 -0.105 0.000 2.435 434 A HA 0.852 5.172 4.320 -0.000 0.000 0.304 434 A C -2.057 175.408 177.584 -0.199 0.000 1.064 434 A CA -0.772 51.263 52.037 -0.003 0.000 0.727 434 A CB 0.859 20.025 19.000 0.277 0.000 1.284 434 A HN 0.665 nan 8.150 nan 0.000 0.415 435 Y N 0.252 120.734 120.300 0.304 0.000 2.409 435 Y HA 0.702 5.252 4.550 -0.000 0.000 0.339 435 Y C 0.887 176.798 175.900 0.018 0.000 1.033 435 Y CA -0.077 58.146 58.100 0.205 0.000 1.094 435 Y CB 2.534 41.063 38.460 0.115 0.000 1.210 435 Y HN 0.979 nan 8.280 nan 0.000 0.456 436 G N 1.087 109.782 108.800 -0.176 0.000 2.682 436 G HA2 0.508 4.468 3.960 -0.000 0.000 0.290 436 G HA3 0.508 4.468 3.960 -0.000 0.000 0.290 436 G C -2.415 172.297 174.900 -0.312 0.000 1.425 436 G CA -0.971 43.772 45.100 -0.594 0.000 0.807 436 G HN 0.481 nan 8.290 nan 0.000 0.482 437 L N 1.276 122.394 121.223 -0.174 0.000 2.290 437 L HA 0.699 5.039 4.340 -0.000 0.000 0.284 437 L C 0.811 177.686 176.870 0.009 0.000 1.078 437 L CA -0.289 54.542 54.840 -0.016 0.000 0.815 437 L CB 0.946 43.047 42.059 0.070 0.000 1.162 437 L HN 0.646 nan 8.230 nan 0.000 0.435 438 G N 6.463 115.303 108.800 0.067 0.000 2.333 438 G HA2 0.506 4.466 3.960 -0.000 0.000 0.290 438 G HA3 0.506 4.466 3.960 -0.000 0.000 0.290 438 G C -0.879 174.141 174.900 0.200 0.000 1.150 438 G CA -0.557 44.624 45.100 0.134 0.000 0.895 438 G HN 0.595 nan 8.290 nan 0.000 0.444 439 L N 2.709 124.077 121.223 0.240 0.000 2.287 439 L HA 0.333 4.673 4.340 -0.000 0.000 0.287 439 L C -0.193 176.822 176.870 0.241 0.000 1.022 439 L CA -1.109 53.902 54.840 0.285 0.000 0.814 439 L CB 1.748 44.042 42.059 0.391 0.000 1.217 439 L HN 0.397 nan 8.230 nan 0.000 0.420 440 N N 2.651 121.529 118.700 0.297 0.000 2.527 440 N HA 0.157 4.897 4.740 -0.000 0.000 0.236 440 N C -0.235 175.570 175.510 0.493 0.000 0.999 440 N CA -0.388 52.894 53.050 0.387 0.000 0.935 440 N CB -0.060 38.734 38.487 0.512 0.000 1.132 440 N HN 0.567 nan 8.380 nan 0.000 0.511 441 H N 3.691 122.816 119.070 0.092 0.000 2.713 441 H HA -0.223 4.333 4.556 -0.000 0.000 0.311 441 H C -0.068 175.312 175.328 0.087 0.000 1.175 441 H CA 1.127 57.140 56.048 -0.058 0.000 1.143 441 H CB -1.844 27.897 29.762 -0.035 0.000 1.434 441 H HN 0.617 nan 8.280 nan 0.000 0.418 442 F N -5.073 115.063 119.950 0.309 0.000 2.517 442 F HA -0.280 4.247 4.527 -0.000 0.000 0.434 442 F C 0.512 176.459 175.800 0.245 0.000 0.564 442 F CA 0.700 58.861 58.000 0.269 0.000 1.414 442 F CB -1.402 37.701 39.000 0.171 0.000 2.009 442 F HN 0.140 nan 8.300 nan 0.000 0.274 443 V N 3.546 123.681 119.914 0.369 0.000 2.408 443 V HA 0.285 4.405 4.120 -0.000 0.000 0.267 443 V C -1.646 174.585 176.094 0.229 0.000 1.047 443 V CA -1.435 60.995 62.300 0.217 0.000 0.937 443 V CB 1.082 32.919 31.823 0.023 0.000 0.999 443 V HN -0.174 nan 8.190 nan 0.000 0.472 444 P HA 0.158 nan 4.420 nan 0.000 0.270 444 P C -0.467 176.954 177.300 0.201 0.000 1.242 444 P CA 0.164 63.379 63.100 0.191 0.000 0.768 444 P CB 0.781 32.546 31.700 0.108 0.000 0.820 445 D N 3.613 124.117 120.400 0.172 0.000 2.538 445 D HA 0.054 4.694 4.640 -0.000 0.000 0.241 445 D C 0.345 176.707 176.300 0.103 0.000 1.297 445 D CA -0.123 53.941 54.000 0.107 0.000 0.804 445 D CB 0.610 41.491 40.800 0.134 0.000 1.122 445 D HN 0.458 nan 8.370 nan 0.000 0.519 446 R N -0.761 119.830 120.500 0.151 0.000 2.712 446 R HA 0.591 4.931 4.340 -0.000 0.000 0.272 446 R C -1.740 174.689 176.300 0.216 0.000 1.032 446 R CA -0.969 55.246 56.100 0.192 0.000 0.874 446 R CB 0.588 30.982 30.300 0.156 0.000 1.256 446 R HN -0.071 nan 8.270 nan 0.000 0.468 447 L N 0.870 122.271 121.223 0.298 0.000 2.334 447 L HA 0.677 5.017 4.340 -0.000 0.000 0.276 447 L C -0.772 176.242 176.870 0.239 0.000 1.014 447 L CA -0.945 54.027 54.840 0.221 0.000 0.815 447 L CB 2.146 44.324 42.059 0.198 0.000 1.268 447 L HN 0.638 nan 8.230 nan 0.000 0.428 448 C N 1.868 121.280 119.300 0.187 0.000 2.634 448 C HA 0.571 5.031 4.460 -0.000 0.000 0.313 448 C C -0.160 175.044 174.990 0.356 0.000 1.198 448 C CA -0.986 58.195 59.018 0.271 0.000 1.605 448 C CB 1.943 29.834 27.740 0.253 0.000 2.196 448 C HN 0.719 nan 8.230 nan 0.000 0.486 449 K N 1.672 122.312 120.400 0.401 0.000 2.324 449 K HA 0.802 5.122 4.320 -0.000 0.000 0.253 449 K C -1.875 174.954 176.600 0.382 0.000 0.932 449 K CA -0.505 55.970 56.287 0.313 0.000 0.799 449 K CB 1.563 34.167 32.500 0.174 0.000 1.154 449 K HN 0.608 nan 8.250 nan 0.000 0.425 450 L N 3.711 125.045 121.223 0.186 0.000 2.385 450 L HA 0.430 4.770 4.340 -0.000 0.000 0.273 450 L C -1.236 175.712 176.870 0.130 0.000 0.990 450 L CA -0.447 54.438 54.840 0.076 0.000 0.821 450 L CB 1.687 43.532 42.059 -0.357 0.000 1.279 450 L HN 0.666 nan 8.230 nan 0.000 0.412 451 N N 3.657 122.495 118.700 0.231 0.000 2.406 451 N HA 0.093 4.833 4.740 -0.000 0.000 0.251 451 N C 0.887 176.312 175.510 -0.141 0.000 1.069 451 N CA 0.097 53.185 53.050 0.064 0.000 0.947 451 N CB 1.494 40.112 38.487 0.217 0.000 1.111 451 N HN 0.647 nan 8.380 nan 0.000 0.497 452 V N 1.952 121.690 119.914 -0.293 0.000 3.217 452 V HA 0.017 4.137 4.120 -0.000 0.000 0.264 452 V C 1.607 177.554 176.094 -0.244 0.000 1.135 452 V CA 1.067 63.195 62.300 -0.287 0.000 1.142 452 V CB -0.448 31.141 31.823 -0.390 0.000 0.754 452 V HN 0.477 nan 8.190 nan 0.000 0.484 453 K N 1.519 121.767 120.400 -0.254 0.000 2.128 453 K HA 0.038 4.358 4.320 -0.000 0.000 0.202 453 K C 2.224 178.745 176.600 -0.131 0.000 1.050 453 K CA 1.524 57.699 56.287 -0.186 0.000 0.966 453 K CB -0.166 32.214 32.500 -0.201 0.000 0.759 453 K HN 0.682 nan 8.250 nan 0.000 0.454 454 T N -1.878 112.608 114.554 -0.113 0.000 3.014 454 T HA 0.185 4.535 4.350 -0.000 0.000 0.250 454 T C 0.523 175.170 174.700 -0.087 0.000 1.060 454 T CA -0.120 61.929 62.100 -0.084 0.000 1.040 454 T CB 0.104 68.938 68.868 -0.056 0.000 0.971 454 T HN 0.117 nan 8.240 nan 0.000 0.497 455 K N 0.578 120.924 120.400 -0.091 0.000 3.446 455 K HA -0.181 4.138 4.320 -0.000 0.000 0.312 455 K C 0.101 176.651 176.600 -0.084 0.000 1.329 455 K CA 0.921 57.159 56.287 -0.082 0.000 0.935 455 K CB -1.741 30.707 32.500 -0.085 0.000 1.281 455 K HN 0.766 nan 8.250 nan 0.000 0.457 456 E N 1.910 122.042 120.200 -0.113 0.000 2.413 456 E HA 0.084 4.434 4.350 -0.000 0.000 0.263 456 E C 0.007 176.457 176.600 -0.250 0.000 1.015 456 E CA 0.656 56.901 56.400 -0.259 0.000 0.916 456 E CB 0.651 30.120 29.700 -0.385 0.000 0.947 456 E HN 0.239 nan 8.360 nan 0.000 0.440 457 T N 1.360 115.714 114.554 -0.334 0.000 2.907 457 T HA 0.531 4.881 4.350 -0.000 0.000 0.292 457 T C -0.738 173.805 174.700 -0.261 0.000 1.043 457 T CA -0.959 61.089 62.100 -0.088 0.000 1.003 457 T CB 0.801 69.729 68.868 0.100 0.000 1.084 457 T HN 0.477 nan 8.240 nan 0.000 0.483 458 W N 0.565 121.923 121.300 0.096 0.000 2.864 458 W HA 0.684 5.343 4.660 -0.000 0.000 0.343 458 W C -1.383 175.222 176.519 0.142 0.000 1.109 458 W CA -1.044 56.365 57.345 0.106 0.000 1.192 458 W CB 2.506 32.026 29.460 0.100 0.000 1.426 458 W HN 0.559 nan 8.180 nan 0.000 0.529 459 V N 1.060 121.194 119.914 0.366 0.000 2.808 459 V HA 0.306 4.426 4.120 -0.000 0.000 0.308 459 V C -1.487 174.793 176.094 0.309 0.000 1.099 459 V CA -0.722 61.754 62.300 0.294 0.000 0.920 459 V CB 2.548 34.488 31.823 0.194 0.000 1.014 459 V HN 0.586 nan 8.190 nan 0.000 0.425 460 W N 5.523 126.896 121.300 0.123 0.000 2.529 460 W HA 0.745 5.405 4.660 -0.000 0.000 0.321 460 W C -0.368 176.187 176.519 0.061 0.000 1.047 460 W CA -0.031 57.363 57.345 0.082 0.000 1.216 460 W CB 1.360 30.860 29.460 0.065 0.000 1.357 460 W HN 0.706 nan 8.180 nan 0.000 0.489 461 Q N 3.677 123.022 119.800 -0.758 0.000 2.472 461 Q HA 0.486 4.826 4.340 -0.000 0.000 0.281 461 Q C -1.656 173.702 176.000 -1.071 0.000 0.997 461 Q CA -1.032 54.249 55.803 -0.869 0.000 0.828 461 Q CB 2.614 31.186 28.738 -0.276 0.000 1.443 461 Q HN 0.554 nan 8.270 nan 0.000 0.390 462 E N 1.399 121.086 120.200 -0.855 0.000 2.293 462 E HA 0.436 4.786 4.350 -0.000 0.000 0.270 462 E C -2.648 173.786 176.600 -0.276 0.000 0.879 462 E CA -2.173 53.938 56.400 -0.482 0.000 0.756 462 E CB 2.347 31.845 29.700 -0.336 0.000 1.208 462 E HN 0.463 nan 8.360 nan 0.000 0.428 463 P HA -0.038 nan 4.420 nan 0.000 0.264 463 P C -0.688 176.531 177.300 -0.136 0.000 1.183 463 P CA 0.488 63.502 63.100 -0.142 0.000 0.763 463 P CB 0.267 31.904 31.700 -0.105 0.000 0.807 464 D N -0.322 119.987 120.400 -0.151 0.000 2.945 464 D HA -0.125 4.515 4.640 -0.000 0.000 0.225 464 D C -0.708 175.396 176.300 -0.326 0.000 1.158 464 D CA 1.226 55.137 54.000 -0.149 0.000 0.805 464 D CB -1.733 39.073 40.800 0.011 0.000 1.098 464 D HN 0.280 nan 8.370 nan 0.000 0.426 465 S N -0.196 115.159 115.700 -0.575 0.000 2.502 465 S HA 0.612 5.082 4.470 -0.000 0.000 0.304 465 S C -0.688 173.510 174.600 -0.671 0.000 1.097 465 S CA -0.659 57.303 58.200 -0.396 0.000 1.045 465 S CB 1.464 64.666 63.200 0.003 0.000 1.019 465 S HN 0.117 nan 8.310 nan 0.000 0.481 466 Y N 2.825 123.106 120.300 -0.030 0.000 2.426 466 Y HA 0.414 4.964 4.550 -0.000 0.000 0.325 466 Y C -2.428 173.412 175.900 -0.101 0.000 0.989 466 Y CA -2.076 55.982 58.100 -0.070 0.000 1.284 466 Y CB 1.296 39.689 38.460 -0.111 0.000 1.104 466 Y HN 0.426 nan 8.280 nan 0.000 0.481 467 P HA 0.354 nan 4.420 nan 0.000 0.281 467 P C -0.390 176.846 177.300 -0.107 0.000 1.281 467 P CA -0.573 62.489 63.100 -0.063 0.000 0.811 467 P CB 1.811 33.513 31.700 0.002 0.000 1.154 468 S N -2.170 113.428 115.700 -0.170 0.000 2.747 468 S HA 0.292 4.762 4.470 -0.000 0.000 0.300 468 S C -0.022 174.463 174.600 -0.191 0.000 1.121 468 S CA -0.829 57.238 58.200 -0.222 0.000 0.995 468 S CB 0.442 63.503 63.200 -0.232 0.000 1.113 468 S HN 0.549 nan 8.310 nan 0.000 0.547 469 E N 2.168 122.222 120.200 -0.243 0.000 2.652 469 E HA 0.026 4.376 4.350 -0.000 0.000 0.255 469 E C -2.120 174.458 176.600 -0.036 0.000 0.952 469 E CA -1.048 55.294 56.400 -0.098 0.000 0.947 469 E CB 0.186 29.875 29.700 -0.018 0.000 0.912 469 E HN 0.376 nan 8.360 nan 0.000 0.489 470 P HA 0.185 nan 4.420 nan 0.000 0.286 470 P C -0.718 176.594 177.300 0.020 0.000 1.269 470 P CA -0.208 62.879 63.100 -0.021 0.000 0.787 470 P CB 0.712 32.417 31.700 0.008 0.000 0.920 471 I N 4.626 125.181 120.570 -0.025 0.000 2.378 471 I HA 0.275 4.445 4.170 -0.000 0.000 0.291 471 I C 0.184 176.260 176.117 -0.068 0.000 0.992 471 I CA -0.912 60.401 61.300 0.022 0.000 1.154 471 I CB 0.920 38.954 38.000 0.058 0.000 1.315 471 I HN 0.321 nan 8.210 nan 0.000 0.448 472 F N 7.771 127.620 119.950 -0.168 0.000 2.412 472 F HA 0.467 4.994 4.527 -0.000 0.000 0.348 472 F C -0.388 175.316 175.800 -0.160 0.000 1.102 472 F CA -0.196 57.644 58.000 -0.267 0.000 1.196 472 F CB 0.944 39.789 39.000 -0.259 0.000 1.144 472 F HN 0.117 nan 8.300 nan 0.000 0.541 473 V N 5.717 124.981 119.914 -1.083 0.000 2.443 473 V HA 0.254 4.374 4.120 -0.000 0.000 0.293 473 V C -0.179 175.300 176.094 -1.026 0.000 1.021 473 V CA -0.906 60.890 62.300 -0.841 0.000 0.848 473 V CB 1.214 32.587 31.823 -0.751 0.000 0.998 473 V HN 0.866 nan 8.190 nan 0.000 0.424 474 S N 3.641 118.919 115.700 -0.703 0.000 2.564 474 S HA 0.152 4.622 4.470 -0.000 0.000 0.278 474 S C 0.220 174.583 174.600 -0.396 0.000 1.333 474 S CA -0.366 57.618 58.200 -0.361 0.000 1.048 474 S CB 0.183 63.442 63.200 0.098 0.000 0.900 474 S HN 0.823 nan 8.310 nan 0.000 0.505 475 H N 5.527 124.170 119.070 -0.711 0.000 3.094 475 H HA 0.068 4.624 4.556 -0.000 0.000 0.320 475 H C -1.542 173.422 175.328 -0.607 0.000 1.000 475 H CA -0.824 54.473 56.048 -1.252 0.000 1.413 475 H CB 1.023 30.176 29.762 -1.015 0.000 1.405 475 H HN 0.516 nan 8.280 nan 0.000 0.586 476 P HA -0.125 nan 4.420 nan 0.000 0.218 476 P C 0.317 177.614 177.300 -0.004 0.000 1.148 476 P CA 1.227 64.232 63.100 -0.159 0.000 0.822 476 P CB 0.402 32.010 31.700 -0.155 0.000 0.784 477 D N -0.738 119.746 120.400 0.141 0.000 2.395 477 D HA 0.224 4.864 4.640 -0.000 0.000 0.226 477 D C 0.598 176.878 176.300 -0.032 0.000 1.146 477 D CA -0.097 53.938 54.000 0.059 0.000 0.830 477 D CB 0.008 40.840 40.800 0.053 0.000 0.958 477 D HN 0.092 nan 8.370 nan 0.000 0.501 478 A N 0.533 123.339 122.820 -0.024 0.000 2.440 478 A HA 0.273 4.593 4.320 -0.000 0.000 0.251 478 A C 1.142 178.732 177.584 0.011 0.000 1.089 478 A CA -0.130 51.877 52.037 -0.050 0.000 0.779 478 A CB 0.442 19.445 19.000 0.005 0.000 1.022 478 A HN 0.235 nan 8.150 nan 0.000 0.492 479 L N 1.011 122.237 121.223 0.005 0.000 2.515 479 L HA 0.138 4.477 4.340 -0.000 0.000 0.223 479 L C 0.948 177.872 176.870 0.091 0.000 1.079 479 L CA 0.311 55.175 54.840 0.040 0.000 0.857 479 L CB -0.140 41.927 42.059 0.014 0.000 1.050 479 L HN 0.753 nan 8.230 nan 0.000 0.476 480 E N 0.296 120.542 120.200 0.077 0.000 2.342 480 E HA -0.020 4.330 4.350 -0.000 0.000 0.257 480 E C 0.499 177.186 176.600 0.145 0.000 1.150 480 E CA -0.156 56.304 56.400 0.100 0.000 0.926 480 E CB 1.174 30.901 29.700 0.045 0.000 1.074 480 E HN 0.072 nan 8.360 nan 0.000 0.449 481 E N 0.791 121.039 120.200 0.080 0.000 2.158 481 E HA -0.150 4.200 4.350 -0.000 0.000 0.191 481 E C 0.272 176.803 176.600 -0.116 0.000 0.982 481 E CA 1.101 57.414 56.400 -0.146 0.000 0.823 481 E CB 0.288 29.708 29.700 -0.466 0.000 0.766 481 E HN 0.490 nan 8.360 nan 0.000 0.468 482 D N 0.158 120.524 120.400 -0.058 0.000 2.670 482 D HA 0.007 4.647 4.640 -0.000 0.000 0.255 482 D C -0.631 175.729 176.300 0.100 0.000 1.286 482 D CA -0.345 53.615 54.000 -0.066 0.000 0.830 482 D CB -0.029 40.491 40.800 -0.467 0.000 1.065 482 D HN -0.084 nan 8.370 nan 0.000 0.486 483 D N 0.475 120.969 120.400 0.158 0.000 2.468 483 D HA 0.498 5.138 4.640 -0.000 0.000 0.218 483 D C 0.380 176.736 176.300 0.094 0.000 1.155 483 D CA 0.030 54.077 54.000 0.078 0.000 0.924 483 D CB 0.191 40.989 40.800 -0.003 0.000 1.029 483 D HN 0.353 nan 8.370 nan 0.000 0.515 484 G N 0.713 109.560 108.800 0.078 0.000 2.356 484 G HA2 0.395 4.355 3.960 -0.000 0.000 0.281 484 G HA3 0.395 4.355 3.960 -0.000 0.000 0.281 484 G C -1.156 173.717 174.900 -0.045 0.000 1.246 484 G CA -0.080 44.996 45.100 -0.041 0.000 0.889 484 G HN 0.647 nan 8.290 nan 0.000 0.486 485 V N -1.607 118.168 119.914 -0.233 0.000 2.960 485 V HA 0.913 5.033 4.120 -0.000 0.000 0.315 485 V C 0.253 176.089 176.094 -0.430 0.000 1.087 485 V CA -0.465 61.662 62.300 -0.288 0.000 0.982 485 V CB 1.225 32.841 31.823 -0.345 0.000 1.039 485 V HN 1.955 nan 8.190 nan 0.000 0.437 486 V N 1.832 121.538 119.914 -0.347 0.000 2.581 486 V HA 0.746 4.866 4.120 -0.000 0.000 0.303 486 V C -0.560 175.336 176.094 -0.330 0.000 1.041 486 V CA -0.675 61.418 62.300 -0.345 0.000 0.907 486 V CB 1.342 32.969 31.823 -0.327 0.000 0.994 486 V HN 0.895 nan 8.190 nan 0.000 0.442 487 L N 4.107 125.147 121.223 -0.304 0.000 2.329 487 L HA 0.792 5.132 4.340 -0.000 0.000 0.279 487 L C 0.088 176.823 176.870 -0.225 0.000 1.014 487 L CA -0.213 54.456 54.840 -0.284 0.000 0.814 487 L CB 1.848 43.743 42.059 -0.273 0.000 1.257 487 L HN 0.907 nan 8.230 nan 0.000 0.424 488 S N 1.578 117.117 115.700 -0.267 0.000 2.536 488 S HA 0.616 5.086 4.470 -0.000 0.000 0.271 488 S C -0.987 173.418 174.600 -0.324 0.000 1.134 488 S CA -0.499 57.548 58.200 -0.256 0.000 0.897 488 S CB 1.966 65.008 63.200 -0.264 0.000 1.094 488 S HN 0.228 nan 8.310 nan 0.000 0.473 489 V N 4.422 124.162 119.914 -0.289 0.000 2.432 489 V HA 0.515 4.635 4.120 -0.000 0.000 0.275 489 V C -0.311 175.566 176.094 -0.361 0.000 1.043 489 V CA -0.395 61.704 62.300 -0.335 0.000 0.925 489 V CB 1.143 32.843 31.823 -0.205 0.000 0.985 489 V HN 0.678 nan 8.190 nan 0.000 0.466 490 V N 5.460 125.058 119.914 -0.527 0.000 2.604 490 V HA 0.503 4.623 4.120 -0.000 0.000 0.305 490 V C -0.191 175.600 176.094 -0.506 0.000 1.043 490 V CA -0.736 61.213 62.300 -0.586 0.000 0.888 490 V CB 2.011 33.218 31.823 -1.028 0.000 0.995 490 V HN 0.559 nan 8.190 nan 0.000 0.429 491 V N 3.764 123.531 119.914 -0.244 0.000 2.398 491 V HA 0.558 4.678 4.120 -0.000 0.000 0.286 491 V C 0.382 176.486 176.094 0.017 0.000 1.026 491 V CA -0.057 62.181 62.300 -0.105 0.000 0.868 491 V CB 1.793 33.577 31.823 -0.066 0.000 0.982 491 V HN 1.055 nan 8.190 nan 0.000 0.443 492 S N 4.430 120.165 115.700 0.058 0.000 2.300 492 S HA 0.376 4.846 4.470 -0.000 0.000 0.172 492 S C -2.523 172.143 174.600 0.110 0.000 1.484 492 S CA -1.107 57.173 58.200 0.133 0.000 1.265 492 S CB 0.914 64.283 63.200 0.281 0.000 1.313 492 S HN 0.550 nan 8.310 nan 0.000 0.387 493 P HA 0.604 nan 4.420 nan 0.000 0.276 493 P C 0.339 177.669 177.300 0.050 0.000 1.235 493 P CA 0.441 63.573 63.100 0.053 0.000 0.772 493 P CB 1.203 32.915 31.700 0.021 0.000 0.871 494 G N 1.132 109.953 108.800 0.035 0.000 2.451 494 G HA2 0.503 4.463 3.960 -0.000 0.000 0.292 494 G HA3 0.503 4.463 3.960 -0.000 0.000 0.292 494 G C -1.518 173.392 174.900 0.018 0.000 1.427 494 G CA -0.417 44.699 45.100 0.026 0.000 0.792 494 G HN 0.469 nan 8.290 nan 0.000 0.498 495 A N -0.691 122.136 122.820 0.012 0.000 2.492 495 A HA 0.599 4.919 4.320 -0.000 0.000 0.254 495 A C 1.617 179.205 177.584 0.007 0.000 1.091 495 A CA 1.550 53.591 52.037 0.008 0.000 0.768 495 A CB -0.159 18.844 19.000 0.005 0.000 1.028 495 A HN 2.832 nan 8.150 nan 0.000 0.498 496 G N 1.444 110.247 108.800 0.005 0.000 2.383 496 G HA2 -0.228 3.731 3.960 -0.000 0.000 0.229 496 G HA3 -0.228 3.731 3.960 -0.000 0.000 0.229 496 G C 0.346 175.247 174.900 0.002 0.000 1.089 496 G CA 0.424 45.523 45.100 -0.000 0.000 0.640 496 G HN 0.928 nan 8.290 nan 0.000 0.510 497 Q N 1.104 120.912 119.800 0.013 0.000 2.306 497 Q HA 0.460 4.800 4.340 -0.000 0.000 0.241 497 Q C -0.031 175.989 176.000 0.034 0.000 0.948 497 Q CA -0.501 55.316 55.803 0.023 0.000 0.886 497 Q CB 0.868 29.631 28.738 0.043 0.000 1.227 497 Q HN 0.181 nan 8.270 nan 0.000 0.457 498 K N 2.791 123.216 120.400 0.043 0.000 2.412 498 K HA 0.038 4.358 4.320 -0.000 0.000 0.281 498 K C -1.632 175.024 176.600 0.093 0.000 1.027 498 K CA -1.236 55.088 56.287 0.062 0.000 0.989 498 K CB 0.536 33.080 32.500 0.073 0.000 0.935 498 K HN 0.426 nan 8.250 nan 0.000 0.475 499 P HA -0.102 nan 4.420 nan 0.000 0.222 499 P C -0.236 177.096 177.300 0.053 0.000 1.147 499 P CA 0.984 64.118 63.100 0.056 0.000 0.790 499 P CB 0.463 32.184 31.700 0.035 0.000 0.780 500 A N -1.025 121.835 122.820 0.066 0.000 2.609 500 A HA 0.694 5.014 4.320 -0.000 0.000 0.291 500 A C -1.764 175.876 177.584 0.093 0.000 1.096 500 A CA -0.680 51.353 52.037 -0.006 0.000 0.684 500 A CB 0.888 19.834 19.000 -0.089 0.000 1.282 500 A HN 0.133 nan 8.150 nan 0.000 0.412 501 Y N -1.595 118.654 120.300 -0.084 0.000 2.592 501 Y HA 0.697 5.247 4.550 -0.000 0.000 0.334 501 Y C -1.295 174.453 175.900 -0.255 0.000 1.136 501 Y CA -1.169 56.856 58.100 -0.124 0.000 1.042 501 Y CB 1.106 39.516 38.460 -0.084 0.000 1.325 501 Y HN 0.775 nan 8.280 nan 0.000 0.457 502 L N 3.616 124.683 121.223 -0.259 0.000 2.290 502 L HA 0.591 4.931 4.340 -0.000 0.000 0.284 502 L C -1.163 175.605 176.870 -0.170 0.000 1.078 502 L CA -0.736 53.797 54.840 -0.513 0.000 0.815 502 L CB 0.898 42.348 42.059 -1.015 0.000 1.162 502 L HN 0.763 nan 8.230 nan 0.000 0.435 503 L N 6.660 127.751 121.223 -0.221 0.000 2.307 503 L HA 0.577 4.917 4.340 -0.000 0.000 0.284 503 L C -0.835 175.867 176.870 -0.280 0.000 1.023 503 L CA -0.043 54.681 54.840 -0.193 0.000 0.810 503 L CB 1.318 43.175 42.059 -0.337 0.000 1.231 503 L HN 0.506 nan 8.230 nan 0.000 0.423 504 I N 6.545 126.961 120.570 -0.258 0.000 2.382 504 I HA 0.349 4.519 4.170 -0.000 0.000 0.286 504 I C -0.836 175.114 176.117 -0.277 0.000 1.002 504 I CA -0.488 60.642 61.300 -0.283 0.000 1.135 504 I CB 1.325 39.166 38.000 -0.264 0.000 1.288 504 I HN 0.447 nan 8.210 nan 0.000 0.448 505 L N 5.320 126.369 121.223 -0.291 0.000 2.334 505 L HA 0.430 4.770 4.340 -0.000 0.000 0.276 505 L C 0.334 177.099 176.870 -0.174 0.000 1.014 505 L CA -0.867 53.834 54.840 -0.232 0.000 0.815 505 L CB 1.651 43.560 42.059 -0.249 0.000 1.268 505 L HN 0.544 nan 8.230 nan 0.000 0.428 506 N N 1.557 120.190 118.700 -0.111 0.000 2.440 506 N HA 0.019 4.759 4.740 -0.000 0.000 0.265 506 N C 0.679 176.139 175.510 -0.084 0.000 1.239 506 N CA 0.324 53.328 53.050 -0.077 0.000 0.909 506 N CB 1.751 40.211 38.487 -0.045 0.000 1.066 506 N HN 0.786 nan 8.380 nan 0.000 0.474 507 A N 5.385 128.163 122.820 -0.071 0.000 2.070 507 A HA -0.118 4.202 4.320 -0.000 0.000 0.220 507 A C 2.032 179.542 177.584 -0.124 0.000 1.159 507 A CA 0.986 53.004 52.037 -0.032 0.000 0.656 507 A CB -0.129 18.950 19.000 0.132 0.000 0.800 507 A HN 0.686 nan 8.150 nan 0.000 0.453 508 K N 0.212 120.505 120.400 -0.178 0.000 2.057 508 K HA -0.142 4.178 4.320 -0.000 0.000 0.207 508 K C 0.413 176.686 176.600 -0.545 0.000 1.049 508 K CA 1.725 57.818 56.287 -0.324 0.000 0.931 508 K CB -0.162 32.228 32.500 -0.183 0.000 0.714 508 K HN 0.787 nan 8.250 nan 0.000 0.440 509 D N -1.525 118.657 120.400 -0.364 0.000 2.563 509 D HA 0.047 4.687 4.640 -0.000 0.000 0.256 509 D C 0.466 176.733 176.300 -0.055 0.000 1.400 509 D CA -0.249 53.543 54.000 -0.347 0.000 0.800 509 D CB -0.434 40.359 40.800 -0.011 0.000 1.145 509 D HN 0.047 nan 8.370 nan 0.000 0.501 510 L N 0.739 121.932 121.223 -0.049 0.000 4.179 510 L HA -0.220 4.120 4.340 -0.000 0.000 0.418 510 L C 0.051 177.002 176.870 0.136 0.000 1.168 510 L CA 0.788 55.673 54.840 0.076 0.000 0.972 510 L CB -2.351 39.833 42.059 0.208 0.000 2.005 510 L HN 0.341 nan 8.230 nan 0.000 0.935 511 S N -0.977 114.776 115.700 0.088 0.000 2.584 511 S HA 0.401 4.870 4.470 -0.000 0.000 0.273 511 S C 0.072 174.697 174.600 0.043 0.000 1.311 511 S CA -0.687 57.580 58.200 0.113 0.000 1.034 511 S CB 2.298 65.547 63.200 0.080 0.000 0.939 511 S HN 0.305 nan 8.310 nan 0.000 0.513 512 E N 1.054 121.299 120.200 0.074 0.000 2.316 512 E HA 0.272 4.622 4.350 -0.000 0.000 0.275 512 E C 0.012 176.589 176.600 -0.038 0.000 1.029 512 E CA -0.548 55.844 56.400 -0.012 0.000 0.871 512 E CB 0.751 30.496 29.700 0.075 0.000 1.022 512 E HN 0.563 nan 8.360 nan 0.000 0.418 513 V N 3.207 123.065 119.914 -0.093 0.000 2.908 513 V HA 0.366 4.486 4.120 -0.000 0.000 0.240 513 V C 0.342 176.370 176.094 -0.110 0.000 1.117 513 V CA 0.883 63.125 62.300 -0.097 0.000 1.133 513 V CB 0.405 32.149 31.823 -0.132 0.000 0.857 513 V HN 0.745 nan 8.190 nan 0.000 0.478 514 A N 0.657 123.399 122.820 -0.131 0.000 2.586 514 A HA 0.851 5.171 4.320 -0.000 0.000 0.290 514 A C -1.135 176.373 177.584 -0.128 0.000 1.086 514 A CA -0.795 51.166 52.037 -0.127 0.000 0.665 514 A CB 1.442 20.361 19.000 -0.136 0.000 1.279 514 A HN 0.378 nan 8.150 nan 0.000 0.423 515 R N -0.270 120.157 120.500 -0.121 0.000 2.740 515 R HA 0.850 5.190 4.340 -0.000 0.000 0.273 515 R C -0.830 175.422 176.300 -0.081 0.000 0.998 515 R CA -0.379 55.665 56.100 -0.094 0.000 0.900 515 R CB 2.144 32.357 30.300 -0.145 0.000 1.223 515 R HN 1.592 nan 8.270 nan 0.000 0.466 516 A N 2.141 124.940 122.820 -0.036 0.000 2.360 516 A HA 0.362 4.682 4.320 -0.000 0.000 0.309 516 A C -0.800 176.819 177.584 0.059 0.000 1.311 516 A CA -0.776 51.248 52.037 -0.022 0.000 0.805 516 A CB 0.635 19.604 19.000 -0.051 0.000 1.144 516 A HN 0.780 nan 8.150 nan 0.000 0.486 517 E N 0.976 121.234 120.200 0.096 0.000 2.266 517 E HA 0.496 4.845 4.350 -0.000 0.000 0.277 517 E C -0.127 176.554 176.600 0.136 0.000 1.018 517 E CA -0.685 55.802 56.400 0.144 0.000 0.840 517 E CB 2.074 31.854 29.700 0.134 0.000 1.082 517 E HN 0.607 nan 8.360 nan 0.000 0.395 518 V N -0.688 119.293 119.914 0.111 0.000 3.001 518 V HA 0.336 4.456 4.120 -0.000 0.000 0.314 518 V C 0.110 176.247 176.094 0.072 0.000 1.099 518 V CA -0.790 61.563 62.300 0.089 0.000 0.989 518 V CB 1.873 33.725 31.823 0.048 0.000 1.040 518 V HN 0.748 nan 8.190 nan 0.000 0.434 519 E N 2.646 122.887 120.200 0.068 0.000 2.419 519 E HA 0.326 4.676 4.350 -0.000 0.000 0.190 519 E C 0.148 176.781 176.600 0.055 0.000 1.040 519 E CA 0.104 56.535 56.400 0.053 0.000 0.900 519 E CB 0.359 30.084 29.700 0.040 0.000 1.054 519 E HN 0.825 nan 8.360 nan 0.000 0.462 520 I N -2.315 118.294 120.570 0.065 0.000 2.785 520 I HA 0.462 4.632 4.170 -0.000 0.000 0.302 520 I C -0.402 175.748 176.117 0.054 0.000 1.069 520 I CA -1.443 59.900 61.300 0.071 0.000 1.045 520 I CB 1.724 39.789 38.000 0.109 0.000 1.236 520 I HN -0.312 nan 8.210 nan 0.000 0.429 521 N N 3.444 122.175 118.700 0.052 0.000 2.415 521 N HA 0.426 5.166 4.740 -0.000 0.000 0.248 521 N C -1.132 174.406 175.510 0.046 0.000 1.271 521 N CA 0.111 53.179 53.050 0.030 0.000 0.913 521 N CB 0.645 39.148 38.487 0.026 0.000 1.129 521 N HN 0.633 nan 8.380 nan 0.000 0.444 522 I N 2.553 123.123 120.570 0.001 0.000 2.468 522 I HA 0.325 4.495 4.170 -0.000 0.000 0.285 522 I C -2.240 173.854 176.117 -0.039 0.000 1.039 522 I CA -2.004 59.305 61.300 0.015 0.000 1.074 522 I CB 2.136 40.087 38.000 -0.082 0.000 1.228 522 I HN 0.465 nan 8.210 nan 0.000 0.436 523 P HA 0.079 nan 4.420 nan 0.000 0.277 523 P C -0.071 177.141 177.300 -0.148 0.000 1.276 523 P CA -0.367 62.724 63.100 -0.014 0.000 0.788 523 P CB 0.696 32.533 31.700 0.228 0.000 1.114 524 V N 0.618 120.405 119.914 -0.210 0.000 2.752 524 V HA 0.069 4.189 4.120 -0.000 0.000 0.306 524 V C 0.015 175.849 176.094 -0.434 0.000 1.099 524 V CA 1.225 63.332 62.300 -0.322 0.000 1.240 524 V CB -0.419 31.242 31.823 -0.270 0.000 0.887 524 V HN 0.855 nan 8.190 nan 0.000 0.499 525 T N 4.309 118.561 114.554 -0.503 0.000 2.907 525 T HA 0.625 4.975 4.350 -0.000 0.000 0.292 525 T C 0.177 174.567 174.700 -0.517 0.000 1.043 525 T CA -0.545 61.255 62.100 -0.501 0.000 1.003 525 T CB 1.627 70.287 68.868 -0.347 0.000 1.084 525 T HN 0.358 nan 8.240 nan 0.000 0.483 526 F N -0.079 119.832 119.950 -0.065 0.000 2.387 526 F HA 0.386 4.913 4.527 -0.000 0.000 0.278 526 F C 1.390 177.003 175.800 -0.312 0.000 1.010 526 F CA 0.218 58.118 58.000 -0.166 0.000 1.236 526 F CB -0.047 38.996 39.000 0.071 0.000 1.137 526 F HN 0.551 nan 8.300 nan 0.000 0.604 527 H N -1.506 117.797 119.070 0.387 0.000 2.946 527 H HA 0.688 5.244 4.556 -0.000 0.000 0.365 527 H C 0.056 175.508 175.328 0.207 0.000 1.197 527 H CA -0.401 55.828 56.048 0.303 0.000 1.131 527 H CB 1.554 31.516 29.762 0.333 0.000 1.849 527 H HN 0.282 nan 8.280 nan 0.000 0.555 528 G N -0.065 108.935 108.800 0.333 0.000 2.500 528 G HA2 0.470 4.430 3.960 -0.000 0.000 0.299 528 G HA3 0.470 4.430 3.960 -0.000 0.000 0.299 528 G C -1.867 173.167 174.900 0.225 0.000 1.242 528 G CA -0.298 44.949 45.100 0.245 0.000 0.859 528 G HN 0.571 nan 8.290 nan 0.000 0.481 529 L N -3.097 118.253 121.223 0.212 0.000 2.720 529 L HA 0.896 5.236 4.340 -0.000 0.000 0.261 529 L C -1.582 175.444 176.870 0.260 0.000 1.046 529 L CA -1.138 53.837 54.840 0.225 0.000 0.886 529 L CB 1.565 43.756 42.059 0.221 0.000 1.493 529 L HN 0.652 nan 8.230 nan 0.000 0.407 530 F N 1.172 121.186 119.950 0.107 0.000 2.427 530 F HA 0.639 5.166 4.527 -0.000 0.000 0.346 530 F C 0.003 175.865 175.800 0.103 0.000 1.120 530 F CA -0.386 57.666 58.000 0.086 0.000 1.033 530 F CB 1.351 40.369 39.000 0.030 0.000 1.126 530 F HN 0.738 nan 8.300 nan 0.000 0.462 531 K N 6.492 126.627 120.400 -0.442 0.000 2.334 531 K HA 0.315 4.635 4.320 -0.000 0.000 0.265 531 K C -0.698 175.626 176.600 -0.460 0.000 1.039 531 K CA -0.612 55.512 56.287 -0.272 0.000 0.920 531 K CB 0.567 32.919 32.500 -0.247 0.000 1.160 531 K HN 0.609 nan 8.250 nan 0.000 0.451 532 K N 1.992 122.302 120.400 -0.150 0.000 2.412 532 K HA 0.004 4.324 4.320 -0.000 0.000 0.281 532 K C 0.124 176.703 176.600 -0.035 0.000 1.027 532 K CA 0.006 56.280 56.287 -0.022 0.000 0.989 532 K CB 1.178 33.760 32.500 0.137 0.000 0.935 532 K HN 0.534 nan 8.250 nan 0.000 0.475 533 S N 0.000 115.687 115.700 -0.022 0.000 2.498 533 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 533 S CA 0.000 58.192 58.200 -0.013 0.000 1.107 533 S CB 0.000 63.188 63.200 -0.020 0.000 0.593 533 S HN 0.000 nan 8.310 nan 0.000 0.517