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 1gnl_1_B DATA FIRST_RESID 1 DATA SEQUENCE SNAMFCYQCQ ETVGNKGCTQ VGVCGKKPET AALQDALIYV TKGLGQIATR DATA SEQUENCE LRAEGKAVDH RIDRLVTGNL FATITNANFD DDILAERVRM TCAAKKELAA DATA SEQUENCE SLTDKSGLSD AALWEASEKS AMLAKAGTVG VMATTDDDVR SLRWLITFGL DATA SEQUENCE KGMAAYAKHA DVLGKHENSL DAFMQEALAK TLDDSLSVAD LVALTLETGK DATA SEQUENCE FGVSAMALLD AANTGTYGHP EITKVNIGVG SNPGILISGH DLRDLEMLLK DATA SEQUENCE QTEGTGVDVY THSEMLPAHY YPAFKKYAHF KGNYGNAWWK QKEEFESFNG DATA SEQUENCE PVLLTTNCLV PPKDSYKDRV YTTGIVGFTG CKHIPGEIGE HKDFSAIIAH DATA SEQUENCE AKTCPAPTEI ESGEIIGGFA HNQVLALADK VIDAVKSGAI KKFVVMAGCD DATA SEQUENCE GRAKSRSYYT DFAEGLPKDT VILTAGCAKY RYNKLNLGDI GGIPRVLDAG DATA SEQUENCE QCNDSYSLAV IALKLKEVFG LEDVNDLPIV YNIAWYEQKA VIVLLALLSL DATA SEQUENCE GVKNIHLGPT LPAFLSPNVA KVLVEQFNIG GITSPQDDLK AFF 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 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.598 174.600 -0.003 0.000 1.055 1 S CA 0.000 58.192 58.200 -0.013 0.000 1.107 1 S CB 0.000 63.189 63.200 -0.019 0.000 0.593 2 N N 1.114 119.815 118.700 0.003 0.000 2.483 2 N HA 0.323 5.063 4.740 0.001 0.000 0.264 2 N C 1.221 176.737 175.510 0.010 0.000 1.197 2 N CA 0.025 53.089 53.050 0.023 0.000 0.927 2 N CB 0.717 39.242 38.487 0.064 0.000 1.065 2 N HN 0.715 nan 8.380 nan 0.000 0.461 3 A N 3.239 126.065 122.820 0.010 0.000 2.015 3 A HA -0.071 4.249 4.320 0.001 0.000 0.219 3 A C 0.726 178.309 177.584 -0.002 0.000 1.163 3 A CA 1.269 53.307 52.037 0.001 0.000 0.646 3 A CB -0.410 18.591 19.000 0.002 0.000 0.806 3 A HN 0.815 nan 8.150 nan 0.000 0.448 4 M N -5.370 114.235 119.600 0.007 0.000 2.773 4 M HA 0.738 5.219 4.480 0.001 0.000 0.270 4 M C -1.649 174.677 176.300 0.044 0.000 1.238 4 M CA -0.751 54.548 55.300 -0.002 0.000 0.832 4 M CB 1.781 34.362 32.600 -0.031 0.000 1.672 4 M HN -0.004 nan 8.290 nan 0.000 0.480 5 F N 1.606 121.473 119.950 -0.138 0.000 2.730 5 F HA 0.717 5.245 4.527 0.001 0.000 0.335 5 F C -1.880 173.788 175.800 -0.219 0.000 1.212 5 F CA -0.607 57.279 58.000 -0.190 0.000 1.016 5 F CB 1.627 40.469 39.000 -0.263 0.000 1.290 5 F HN 1.009 nan 8.300 nan 0.000 0.495 6 C N 7.756 126.609 119.300 -0.745 0.000 2.608 6 C HA 0.664 5.125 4.460 0.001 0.000 0.325 6 C C -0.851 173.882 174.990 -0.429 0.000 1.147 6 C CA -0.339 58.422 59.018 -0.429 0.000 1.359 6 C CB 0.779 28.391 27.740 -0.214 0.000 1.912 6 C HN 0.803 nan 8.230 nan 0.000 0.466 7 Y N 4.398 124.522 120.300 -0.293 0.000 2.777 7 Y HA 0.290 4.840 4.550 0.001 0.000 0.248 7 Y C 1.118 177.061 175.900 0.071 0.000 1.127 7 Y CA -0.548 57.495 58.100 -0.095 0.000 1.149 7 Y CB -1.540 36.953 38.460 0.054 0.000 1.230 7 Y HN 0.758 nan 8.280 nan 0.000 0.586 8 Q N 0.748 120.512 119.800 -0.059 0.000 2.432 8 Q HA 0.192 4.533 4.340 0.001 0.000 0.205 8 Q C 0.770 176.648 176.000 -0.203 0.000 0.945 8 Q CA 0.843 56.258 55.803 -0.646 0.000 0.924 8 Q CB 0.072 28.048 28.738 -1.270 0.000 1.016 8 Q HN 0.482 nan 8.270 nan 0.000 0.503 9 C N -1.959 117.267 119.300 -0.123 0.000 2.630 9 C HA 0.379 4.840 4.460 0.001 0.000 0.346 9 C C 1.472 176.271 174.990 -0.319 0.000 1.245 9 C CA -0.767 58.069 59.018 -0.303 0.000 1.804 9 C CB 2.083 29.423 27.740 -0.667 0.000 2.279 9 C HN 0.380 nan 8.230 nan 0.000 0.498 10 Q N 0.465 119.745 119.800 -0.868 0.000 2.226 10 Q HA -0.108 4.232 4.340 0.001 0.000 0.204 10 Q C 1.479 177.341 176.000 -0.229 0.000 0.975 10 Q CA 1.945 57.257 55.803 -0.819 0.000 0.866 10 Q CB -0.074 27.899 28.738 -1.276 0.000 0.915 10 Q HN 0.923 nan 8.270 nan 0.000 0.440 11 E N 0.388 120.531 120.200 -0.095 0.000 2.476 11 E HA 0.024 4.375 4.350 0.001 0.000 0.191 11 E C 0.103 176.714 176.600 0.019 0.000 1.064 11 E CA -0.201 56.214 56.400 0.026 0.000 0.866 11 E CB 0.195 29.996 29.700 0.168 0.000 0.952 11 E HN 0.122 nan 8.360 nan 0.000 0.492 12 T N 0.928 115.482 114.554 0.000 0.000 2.946 12 T HA -0.033 4.318 4.350 0.001 0.000 0.312 12 T C 0.453 175.165 174.700 0.020 0.000 1.066 12 T CA -0.311 61.794 62.100 0.009 0.000 1.138 12 T CB 0.478 69.370 68.868 0.041 0.000 1.014 12 T HN -0.173 nan 8.240 nan 0.000 0.544 13 V N 5.694 125.610 119.914 0.004 0.000 2.584 13 V HA 0.252 4.373 4.120 0.001 0.000 0.303 13 V C 1.843 177.957 176.094 0.034 0.000 1.035 13 V CA 1.070 63.379 62.300 0.015 0.000 1.172 13 V CB 0.068 31.895 31.823 0.006 0.000 0.896 13 V HN 1.317 nan 8.190 nan 0.000 0.486 14 G N 4.948 113.769 108.800 0.035 0.000 2.187 14 G HA2 -0.372 3.588 3.960 0.001 0.000 0.261 14 G HA3 -0.372 3.588 3.960 0.001 0.000 0.261 14 G C 0.616 175.550 174.900 0.056 0.000 1.000 14 G CA 0.685 45.810 45.100 0.043 0.000 0.718 14 G HN 1.314 nan 8.290 nan 0.000 0.519 15 N N -1.484 117.252 118.700 0.060 0.000 2.721 15 N HA -0.181 4.560 4.740 0.001 0.000 0.249 15 N C 1.208 176.786 175.510 0.114 0.000 1.072 15 N CA 2.200 55.298 53.050 0.080 0.000 0.710 15 N CB -0.787 37.742 38.487 0.069 0.000 0.993 15 N HN 0.856 nan 8.380 nan 0.000 0.547 16 K N -1.825 118.654 120.400 0.131 0.000 2.485 16 K HA 0.441 4.762 4.320 0.001 0.000 0.200 16 K C 0.644 177.394 176.600 0.250 0.000 1.344 16 K CA 0.510 56.915 56.287 0.197 0.000 0.948 16 K CB 1.044 33.637 32.500 0.156 0.000 1.454 16 K HN 0.219 nan 8.250 nan 0.000 0.502 17 G N 0.464 109.312 108.800 0.080 0.000 2.368 17 G HA2 0.112 4.073 3.960 0.001 0.000 0.301 17 G HA3 0.112 4.073 3.960 0.001 0.000 0.301 17 G C -1.326 173.432 174.900 -0.236 0.000 1.640 17 G CA -1.038 43.936 45.100 -0.211 0.000 0.941 17 G HN 0.112 nan 8.290 nan 0.000 0.695 18 C N 2.200 121.296 119.300 -0.341 0.000 2.373 18 C HA 0.571 5.032 4.460 0.001 0.000 0.354 18 C C 1.876 176.724 174.990 -0.237 0.000 1.249 18 C CA 0.363 59.258 59.018 -0.206 0.000 1.784 18 C CB -0.335 27.315 27.740 -0.150 0.000 2.408 18 C HN 0.969 nan 8.230 nan 0.000 0.542 19 T N -0.584 113.913 114.554 -0.094 0.000 2.971 19 T HA 0.039 4.389 4.350 0.001 0.000 0.252 19 T C 1.129 175.828 174.700 -0.002 0.000 1.022 19 T CA 0.409 62.500 62.100 -0.014 0.000 0.980 19 T CB 0.171 69.074 68.868 0.059 0.000 1.044 19 T HN 0.566 nan 8.240 nan 0.000 0.501 20 Q N 0.468 120.262 119.800 -0.009 0.000 2.631 20 Q HA 0.507 4.848 4.340 0.001 0.000 0.220 20 Q C -0.108 175.894 176.000 0.003 0.000 0.819 20 Q CA 0.335 56.139 55.803 0.002 0.000 0.914 20 Q CB 0.873 29.616 28.738 0.010 0.000 1.248 20 Q HN 0.296 nan 8.270 nan 0.000 0.629 21 V N 0.537 120.455 119.914 0.007 0.000 2.971 21 V HA 0.830 4.950 4.120 0.001 0.000 0.309 21 V C -0.467 175.640 176.094 0.022 0.000 1.130 21 V CA -0.530 61.784 62.300 0.023 0.000 0.964 21 V CB 1.810 33.656 31.823 0.037 0.000 1.029 21 V HN 0.392 nan 8.190 nan 0.000 0.427 22 G N 3.014 111.838 108.800 0.041 0.000 2.467 22 G HA2 0.395 4.356 3.960 0.001 0.000 0.257 22 G HA3 0.395 4.356 3.960 0.001 0.000 0.257 22 G C 0.931 175.880 174.900 0.081 0.000 1.227 22 G CA 0.145 45.272 45.100 0.045 0.000 0.835 22 G HN 0.821 nan 8.290 nan 0.000 0.556 23 V N 1.333 121.291 119.914 0.073 0.000 2.568 23 V HA -0.251 3.870 4.120 0.001 0.000 0.253 23 V C 2.934 179.126 176.094 0.164 0.000 1.072 23 V CA 2.092 64.451 62.300 0.099 0.000 1.084 23 V CB -0.804 31.070 31.823 0.086 0.000 0.676 23 V HN 1.003 nan 8.190 nan 0.000 0.469 24 C N -0.373 119.048 119.300 0.202 0.000 2.522 24 C HA 0.526 4.987 4.460 0.001 0.000 0.271 24 C C 2.031 177.238 174.990 0.362 0.000 1.425 24 C CA -0.044 59.158 59.018 0.307 0.000 1.751 24 C CB -0.797 27.122 27.740 0.299 0.000 1.775 24 C HN 0.835 nan 8.230 nan 0.000 0.557 25 G N 0.458 109.426 108.800 0.280 0.000 2.179 25 G HA2 -0.234 3.727 3.960 0.001 0.000 0.220 25 G HA3 -0.234 3.727 3.960 0.001 0.000 0.220 25 G C 0.069 175.185 174.900 0.361 0.000 0.990 25 G CA 0.192 45.450 45.100 0.264 0.000 0.646 25 G HN 0.787 nan 8.290 nan 0.000 0.517 26 K N 1.632 122.264 120.400 0.385 0.000 2.402 26 K HA 0.357 4.677 4.320 0.001 0.000 0.285 26 K C 0.681 177.369 176.600 0.147 0.000 1.054 26 K CA -0.049 56.404 56.287 0.276 0.000 1.001 26 K CB 0.176 32.719 32.500 0.071 0.000 0.946 26 K HN 0.310 nan 8.250 nan 0.000 0.473 27 K N 5.152 125.633 120.400 0.136 0.000 2.168 27 K HA 0.090 4.411 4.320 0.001 0.000 0.258 27 K C -1.622 174.999 176.600 0.034 0.000 1.010 27 K CA -1.804 54.526 56.287 0.071 0.000 0.929 27 K CB 0.660 33.196 32.500 0.060 0.000 0.998 27 K HN 0.433 nan 8.250 nan 0.000 0.479 28 P HA -0.175 nan 4.420 nan 0.000 0.218 28 P C 0.383 177.682 177.300 -0.002 0.000 1.149 28 P CA 1.478 64.580 63.100 0.002 0.000 0.817 28 P CB 0.238 31.939 31.700 0.001 0.000 0.785 29 E N -0.547 119.655 120.200 0.003 0.000 2.106 29 E HA -0.088 4.263 4.350 0.001 0.000 0.192 29 E C 1.975 178.574 176.600 -0.002 0.000 0.984 29 E CA 1.383 57.783 56.400 -0.000 0.000 0.806 29 E CB -0.582 29.118 29.700 0.001 0.000 0.750 29 E HN 0.264 nan 8.360 nan 0.000 0.458 30 T N 1.130 115.684 114.554 0.001 0.000 2.708 30 T HA -0.165 4.185 4.350 0.001 0.000 0.266 30 T C 2.056 176.744 174.700 -0.020 0.000 1.037 30 T CA 1.264 63.359 62.100 -0.007 0.000 1.146 30 T CB -0.245 68.629 68.868 0.010 0.000 0.865 30 T HN 0.237 nan 8.240 nan 0.000 0.435 31 A N 1.514 124.322 122.820 -0.020 0.000 1.940 31 A HA 0.101 4.421 4.320 0.001 0.000 0.219 31 A C 2.648 180.217 177.584 -0.024 0.000 1.176 31 A CA 1.915 53.933 52.037 -0.032 0.000 0.631 31 A CB -1.115 17.861 19.000 -0.039 0.000 0.814 31 A HN 0.519 nan 8.150 nan 0.000 0.446 32 A N -0.282 122.526 122.820 -0.020 0.000 1.902 32 A HA -0.033 4.287 4.320 0.001 0.000 0.217 32 A C 2.165 179.747 177.584 -0.004 0.000 1.181 32 A CA 1.493 53.517 52.037 -0.021 0.000 0.623 32 A CB -0.598 18.390 19.000 -0.020 0.000 0.818 32 A HN 0.475 nan 8.150 nan 0.000 0.443 33 L N -0.806 120.421 121.223 0.008 0.000 2.083 33 L HA -0.243 4.097 4.340 0.001 0.000 0.209 33 L C 2.887 179.779 176.870 0.037 0.000 1.083 33 L CA 1.453 56.311 54.840 0.030 0.000 0.752 33 L CB -0.586 41.486 42.059 0.022 0.000 0.899 33 L HN 0.492 nan 8.230 nan 0.000 0.433 34 Q N -0.228 119.583 119.800 0.019 0.000 2.084 34 Q HA -0.206 4.134 4.340 0.001 0.000 0.202 34 Q C 1.767 177.808 176.000 0.069 0.000 0.978 34 Q CA 1.452 57.275 55.803 0.034 0.000 0.844 34 Q CB -0.117 28.625 28.738 0.005 0.000 0.898 34 Q HN 0.473 nan 8.270 nan 0.000 0.426 35 D N 0.599 121.027 120.400 0.047 0.000 2.117 35 D HA -0.126 4.514 4.640 0.001 0.000 0.197 35 D C 1.775 178.122 176.300 0.078 0.000 0.987 35 D CA 1.350 55.388 54.000 0.063 0.000 0.829 35 D CB -0.201 40.592 40.800 -0.011 0.000 0.961 35 D HN 0.253 nan 8.370 nan 0.000 0.460 36 A N 0.561 123.409 122.820 0.047 0.000 1.902 36 A HA -0.138 4.182 4.320 0.001 0.000 0.217 36 A C 2.133 179.842 177.584 0.207 0.000 1.181 36 A CA 0.985 53.074 52.037 0.087 0.000 0.623 36 A CB -0.677 18.388 19.000 0.109 0.000 0.818 36 A HN 0.245 nan 8.150 nan 0.000 0.443 37 L N -0.221 121.096 121.223 0.158 0.000 2.056 37 L HA -0.102 4.239 4.340 0.001 0.000 0.207 37 L C 2.084 179.040 176.870 0.143 0.000 1.078 37 L CA 1.554 56.480 54.840 0.144 0.000 0.749 37 L CB -0.380 41.736 42.059 0.095 0.000 0.901 37 L HN 0.319 nan 8.230 nan 0.000 0.433 38 I N -1.206 119.459 120.570 0.158 0.000 2.226 38 I HA -0.300 3.870 4.170 0.001 0.000 0.245 38 I C 2.457 178.675 176.117 0.168 0.000 1.100 38 I CA 1.341 62.736 61.300 0.158 0.000 1.374 38 I CB -1.400 36.739 38.000 0.232 0.000 1.057 38 I HN 0.354 nan 8.210 nan 0.000 0.413 39 Y N 2.421 122.758 120.300 0.062 0.000 2.097 39 Y HA -0.258 4.293 4.550 0.001 0.000 0.282 39 Y C 2.585 178.514 175.900 0.047 0.000 1.152 39 Y CA 2.487 60.604 58.100 0.027 0.000 1.136 39 Y CB -0.577 37.865 38.460 -0.030 0.000 0.975 39 Y HN 0.070 nan 8.280 nan 0.000 0.498 40 V N -3.488 116.497 119.914 0.119 0.000 2.809 40 V HA -0.136 3.985 4.120 0.001 0.000 0.256 40 V C 1.913 177.998 176.094 -0.016 0.000 1.080 40 V CA 2.089 64.408 62.300 0.031 0.000 1.102 40 V CB -1.354 30.583 31.823 0.190 0.000 0.705 40 V HN 0.420 nan 8.190 nan 0.000 0.475 41 T N 0.435 114.994 114.554 0.009 0.000 2.777 41 T HA -0.100 4.251 4.350 0.001 0.000 0.266 41 T C 1.871 176.529 174.700 -0.070 0.000 1.040 41 T CA 1.987 64.073 62.100 -0.022 0.000 1.141 41 T CB -0.251 68.617 68.868 -0.000 0.000 0.868 41 T HN 0.562 nan 8.240 nan 0.000 0.444 42 K N 0.591 120.938 120.400 -0.089 0.000 2.097 42 K HA 0.009 4.330 4.320 0.001 0.000 0.205 42 K C 2.618 179.126 176.600 -0.153 0.000 1.050 42 K CA 1.070 57.277 56.287 -0.134 0.000 0.938 42 K CB -0.391 32.024 32.500 -0.142 0.000 0.718 42 K HN 0.352 nan 8.250 nan 0.000 0.442 43 G N 1.721 110.409 108.800 -0.187 0.000 2.418 43 G HA2 -0.247 3.713 3.960 0.001 0.000 0.217 43 G HA3 -0.247 3.713 3.960 0.001 0.000 0.217 43 G C 1.437 176.268 174.900 -0.114 0.000 1.158 43 G CA 0.492 45.485 45.100 -0.178 0.000 0.771 43 G HN 0.152 nan 8.290 nan 0.000 0.545 44 L N 1.739 122.907 121.223 -0.092 0.000 2.042 44 L HA 0.102 4.442 4.340 0.001 0.000 0.210 44 L C 2.775 179.598 176.870 -0.079 0.000 1.076 44 L CA 2.414 57.212 54.840 -0.071 0.000 0.749 44 L CB -1.059 40.967 42.059 -0.055 0.000 0.893 44 L HN 0.167 nan 8.230 nan 0.000 0.432 45 G N -1.466 107.276 108.800 -0.096 0.000 2.440 45 G HA2 -0.296 3.664 3.960 0.001 0.000 0.218 45 G HA3 -0.296 3.664 3.960 0.001 0.000 0.218 45 G C 1.462 176.297 174.900 -0.108 0.000 1.154 45 G CA 0.834 45.868 45.100 -0.110 0.000 0.767 45 G HN 0.562 nan 8.290 nan 0.000 0.552 46 Q N -0.298 119.437 119.800 -0.108 0.000 2.050 46 Q HA -0.029 4.312 4.340 0.001 0.000 0.202 46 Q C 2.636 178.591 176.000 -0.075 0.000 0.980 46 Q CA 1.126 56.872 55.803 -0.095 0.000 0.840 46 Q CB -0.196 28.485 28.738 -0.095 0.000 0.898 46 Q HN 0.546 nan 8.270 nan 0.000 0.424 47 I N 0.469 120.998 120.570 -0.069 0.000 2.202 47 I HA -0.265 3.905 4.170 0.001 0.000 0.242 47 I C 2.426 178.514 176.117 -0.048 0.000 1.091 47 I CA 0.990 62.258 61.300 -0.053 0.000 1.368 47 I CB -0.383 37.588 38.000 -0.049 0.000 1.058 47 I HN 0.154 nan 8.210 nan 0.000 0.410 48 A N 0.204 122.993 122.820 -0.052 0.000 1.902 48 A HA -0.202 4.118 4.320 0.001 0.000 0.217 48 A C 2.388 179.945 177.584 -0.045 0.000 1.181 48 A CA 2.434 54.444 52.037 -0.045 0.000 0.623 48 A CB -1.110 17.861 19.000 -0.048 0.000 0.818 48 A HN 0.381 nan 8.150 nan 0.000 0.443 49 T N -0.378 114.139 114.554 -0.061 0.000 2.708 49 T HA -0.147 4.204 4.350 0.001 0.000 0.266 49 T C 2.062 176.735 174.700 -0.045 0.000 1.037 49 T CA 1.627 63.689 62.100 -0.062 0.000 1.146 49 T CB -0.239 68.577 68.868 -0.087 0.000 0.865 49 T HN 0.514 nan 8.240 nan 0.000 0.435 50 R N 0.335 120.809 120.500 -0.044 0.000 2.096 50 R HA 0.044 4.385 4.340 0.001 0.000 0.235 50 R C 2.443 178.728 176.300 -0.025 0.000 1.127 50 R CA 0.965 57.044 56.100 -0.034 0.000 0.968 50 R CB -0.481 29.799 30.300 -0.034 0.000 0.861 50 R HN 0.359 nan 8.270 nan 0.000 0.440 51 L N 0.118 121.326 121.223 -0.025 0.000 2.017 51 L HA -0.179 4.161 4.340 0.001 0.000 0.208 51 L C 2.543 179.406 176.870 -0.012 0.000 1.073 51 L CA 1.455 56.285 54.840 -0.017 0.000 0.745 51 L CB -0.325 41.724 42.059 -0.016 0.000 0.894 51 L HN 0.144 nan 8.230 nan 0.000 0.432 52 R N -0.119 120.373 120.500 -0.013 0.000 2.105 52 R HA -0.142 4.199 4.340 0.001 0.000 0.239 52 R C 2.205 178.501 176.300 -0.006 0.000 1.135 52 R CA 1.309 57.406 56.100 -0.006 0.000 0.967 52 R CB -0.486 29.810 30.300 -0.007 0.000 0.861 52 R HN 0.343 nan 8.270 nan 0.000 0.442 53 A N 1.652 124.465 122.820 -0.011 0.000 2.209 53 A HA -0.134 4.187 4.320 0.001 0.000 0.212 53 A C 1.445 179.025 177.584 -0.007 0.000 1.158 53 A CA 1.054 53.086 52.037 -0.009 0.000 0.742 53 A CB -0.256 18.735 19.000 -0.015 0.000 0.790 53 A HN 0.553 nan 8.150 nan 0.000 0.472 54 E N -2.086 118.110 120.200 -0.007 0.000 2.548 54 E HA 0.413 4.764 4.350 0.001 0.000 0.206 54 E C 0.814 177.413 176.600 -0.002 0.000 1.005 54 E CA 0.272 56.669 56.400 -0.005 0.000 0.951 54 E CB -0.272 29.424 29.700 -0.007 0.000 1.035 54 E HN 0.576 nan 8.360 nan 0.000 0.470 55 G N 1.368 110.168 108.800 -0.000 0.000 2.143 55 G HA2 -0.305 3.656 3.960 0.001 0.000 0.249 55 G HA3 -0.305 3.656 3.960 0.001 0.000 0.249 55 G C -0.035 174.867 174.900 0.004 0.000 0.981 55 G CA 0.295 45.397 45.100 0.003 0.000 0.665 55 G HN 0.247 nan 8.290 nan 0.000 0.528 56 K N 0.399 120.800 120.400 0.002 0.000 2.098 56 K HA 0.706 5.026 4.320 0.001 0.000 0.261 56 K C 0.714 177.318 176.600 0.006 0.000 0.987 56 K CA -0.030 56.259 56.287 0.002 0.000 0.916 56 K CB 1.466 33.966 32.500 -0.001 0.000 1.039 56 K HN 0.451 nan 8.250 nan 0.000 0.455 57 A N 1.702 124.527 122.820 0.009 0.000 2.371 57 A HA 0.331 4.652 4.320 0.001 0.000 0.257 57 A C -0.414 177.178 177.584 0.015 0.000 1.089 57 A CA -0.439 51.607 52.037 0.016 0.000 0.794 57 A CB 0.466 19.477 19.000 0.019 0.000 1.029 57 A HN 0.408 nan 8.150 nan 0.000 0.488 58 V N 3.492 123.419 119.914 0.022 0.000 2.409 58 V HA 0.179 4.300 4.120 0.001 0.000 0.291 58 V C 0.036 176.153 176.094 0.039 0.000 1.020 58 V CA -0.815 61.497 62.300 0.020 0.000 0.848 58 V CB 1.514 33.344 31.823 0.012 0.000 0.990 58 V HN 1.015 nan 8.190 nan 0.000 0.430 59 D N 2.352 122.770 120.400 0.030 0.000 2.472 59 D HA -0.082 4.559 4.640 0.001 0.000 0.237 59 D C 1.044 177.381 176.300 0.061 0.000 1.141 59 D CA 0.328 54.355 54.000 0.044 0.000 0.875 59 D CB 0.906 41.717 40.800 0.018 0.000 1.192 59 D HN 0.719 nan 8.370 nan 0.000 0.450 60 H N 4.282 123.333 119.070 -0.031 0.000 2.518 60 H HA -0.096 4.461 4.556 0.001 0.000 0.289 60 H C 2.005 177.283 175.328 -0.085 0.000 1.051 60 H CA 1.858 57.858 56.048 -0.080 0.000 1.280 60 H CB 0.257 29.917 29.762 -0.171 0.000 1.380 60 H HN 0.469 nan 8.280 nan 0.000 0.566 61 R N -0.048 120.378 120.500 -0.122 0.000 2.120 61 R HA -0.101 4.239 4.340 0.001 0.000 0.234 61 R C 1.452 177.662 176.300 -0.150 0.000 1.123 61 R CA 1.563 57.569 56.100 -0.156 0.000 0.975 61 R CB -0.427 29.829 30.300 -0.073 0.000 0.866 61 R HN 0.286 nan 8.270 nan 0.000 0.446 62 I N 2.611 123.119 120.570 -0.103 0.000 2.252 62 I HA -0.198 3.973 4.170 0.001 0.000 0.245 62 I C 1.502 177.556 176.117 -0.105 0.000 1.102 62 I CA 1.397 62.649 61.300 -0.081 0.000 1.385 62 I CB -1.055 36.917 38.000 -0.046 0.000 1.064 62 I HN 0.152 nan 8.210 nan 0.000 0.414 63 D N 0.831 121.151 120.400 -0.135 0.000 2.123 63 D HA -0.182 4.459 4.640 0.001 0.000 0.196 63 D C 2.317 178.503 176.300 -0.190 0.000 0.992 63 D CA 1.150 55.070 54.000 -0.132 0.000 0.833 63 D CB -0.273 40.477 40.800 -0.083 0.000 0.954 63 D HN 0.358 nan 8.370 nan 0.000 0.455 64 R N -0.157 120.153 120.500 -0.317 0.000 2.092 64 R HA -0.047 4.294 4.340 0.001 0.000 0.231 64 R C 2.257 178.488 176.300 -0.115 0.000 1.119 64 R CA 0.285 56.247 56.100 -0.231 0.000 0.970 64 R CB -0.326 29.808 30.300 -0.276 0.000 0.864 64 R HN 0.126 nan 8.270 nan 0.000 0.440 65 L N 0.724 121.885 121.223 -0.103 0.000 2.046 65 L HA -0.140 4.200 4.340 0.001 0.000 0.208 65 L C 2.041 178.888 176.870 -0.039 0.000 1.077 65 L CA 1.574 56.379 54.840 -0.059 0.000 0.747 65 L CB -0.323 41.703 42.059 -0.055 0.000 0.896 65 L HN -0.105 nan 8.230 nan 0.000 0.432 66 V N -0.295 119.591 119.914 -0.048 0.000 2.295 66 V HA -0.310 3.811 4.120 0.001 0.000 0.246 66 V C 2.715 178.801 176.094 -0.013 0.000 1.049 66 V CA 2.231 64.511 62.300 -0.034 0.000 1.024 66 V CB -1.346 30.449 31.823 -0.048 0.000 0.648 66 V HN 0.758 nan 8.190 nan 0.000 0.447 67 T N -1.375 113.172 114.554 -0.012 0.000 2.821 67 T HA -0.084 4.267 4.350 0.001 0.000 0.267 67 T C 1.982 176.727 174.700 0.075 0.000 1.046 67 T CA 1.504 63.618 62.100 0.024 0.000 1.139 67 T CB -0.851 68.034 68.868 0.030 0.000 0.871 67 T HN 0.469 nan 8.240 nan 0.000 0.454 68 G N 1.834 110.662 108.800 0.045 0.000 2.418 68 G HA2 -0.221 3.740 3.960 0.001 0.000 0.217 68 G HA3 -0.221 3.740 3.960 0.001 0.000 0.217 68 G C 1.709 176.646 174.900 0.062 0.000 1.158 68 G CA 0.713 45.845 45.100 0.053 0.000 0.771 68 G HN 0.475 nan 8.290 nan 0.000 0.545 69 N N 0.557 119.281 118.700 0.039 0.000 2.084 69 N HA -0.036 4.704 4.740 0.001 0.000 0.190 69 N C 2.292 177.843 175.510 0.068 0.000 1.030 69 N CA 0.717 53.792 53.050 0.042 0.000 0.849 69 N CB -0.478 38.026 38.487 0.028 0.000 1.012 69 N HN 0.298 nan 8.380 nan 0.000 0.423 70 L N -0.524 120.740 121.223 0.067 0.000 2.017 70 L HA -0.144 4.196 4.340 0.001 0.000 0.208 70 L C 2.166 179.111 176.870 0.127 0.000 1.073 70 L CA 0.950 55.832 54.840 0.070 0.000 0.745 70 L CB -0.417 41.655 42.059 0.021 0.000 0.894 70 L HN 0.069 nan 8.230 nan 0.000 0.432 71 F N 0.949 120.882 119.950 -0.030 0.000 2.171 71 F HA -0.138 4.390 4.527 0.001 0.000 0.300 71 F C 2.457 178.240 175.800 -0.029 0.000 1.090 71 F CA 0.822 58.799 58.000 -0.038 0.000 1.293 71 F CB -0.647 38.322 39.000 -0.053 0.000 1.013 71 F HN 0.008 nan 8.300 nan 0.000 0.486 72 A N -0.808 122.109 122.820 0.162 0.000 2.070 72 A HA -0.178 4.143 4.320 0.001 0.000 0.220 72 A C 1.999 179.601 177.584 0.030 0.000 1.159 72 A CA 2.076 54.141 52.037 0.046 0.000 0.656 72 A CB -1.300 17.708 19.000 0.012 0.000 0.800 72 A HN 0.452 nan 8.150 nan 0.000 0.453 73 T N -3.014 111.577 114.554 0.061 0.000 3.069 73 T HA 0.419 4.770 4.350 0.001 0.000 0.252 73 T C 0.524 175.230 174.700 0.010 0.000 1.053 73 T CA -0.342 61.772 62.100 0.024 0.000 0.964 73 T CB -0.447 68.459 68.868 0.063 0.000 1.005 73 T HN 0.253 nan 8.240 nan 0.000 0.532 74 I N 2.924 123.525 120.570 0.053 0.000 2.696 74 I HA 0.087 4.258 4.170 0.001 0.000 0.284 74 I C 0.554 176.638 176.117 -0.055 0.000 1.129 74 I CA -0.406 60.901 61.300 0.011 0.000 1.410 74 I CB 0.721 38.775 38.000 0.089 0.000 1.399 74 I HN 0.131 nan 8.210 nan 0.000 0.579 75 T N 6.154 120.634 114.554 -0.124 0.000 2.866 75 T HA -0.070 4.280 4.350 0.001 0.000 0.293 75 T C 0.671 175.325 174.700 -0.077 0.000 1.005 75 T CA 0.308 62.314 62.100 -0.155 0.000 1.162 75 T CB -0.189 68.508 68.868 -0.285 0.000 0.968 75 T HN 0.707 nan 8.240 nan 0.000 0.530 76 N N 0.023 118.678 118.700 -0.075 0.000 2.782 76 N HA -0.220 4.521 4.740 0.001 0.000 0.251 76 N C 0.805 176.389 175.510 0.123 0.000 1.101 76 N CA 0.961 54.073 53.050 0.102 0.000 0.764 76 N CB -1.371 37.164 38.487 0.081 0.000 1.122 76 N HN 0.767 nan 8.380 nan 0.000 0.561 77 A N -0.293 122.516 122.820 -0.018 0.000 1.887 77 A HA 0.216 4.537 4.320 0.001 0.000 0.210 77 A C 0.790 178.398 177.584 0.039 0.000 1.221 77 A CA 1.168 53.231 52.037 0.044 0.000 0.635 77 A CB 0.294 19.322 19.000 0.047 0.000 0.881 77 A HN 0.360 nan 8.150 nan 0.000 0.456 78 N N -1.825 116.793 118.700 -0.136 0.000 2.478 78 N HA 0.484 5.225 4.740 0.001 0.000 0.291 78 N C -1.170 174.220 175.510 -0.200 0.000 1.090 78 N CA -0.435 52.590 53.050 -0.042 0.000 0.911 78 N CB 0.939 39.403 38.487 -0.038 0.000 1.546 78 N HN 0.038 nan 8.380 nan 0.000 0.500 79 F N 0.126 120.088 119.950 0.019 0.000 2.654 79 F HA 0.270 4.797 4.527 0.001 0.000 0.303 79 F C 0.492 176.158 175.800 -0.222 0.000 1.099 79 F CA -0.483 57.467 58.000 -0.084 0.000 1.270 79 F CB 0.485 39.431 39.000 -0.090 0.000 1.024 79 F HN 0.374 nan 8.300 nan 0.000 0.548 80 D N 0.920 121.311 120.400 -0.015 0.000 2.428 80 D HA 0.055 4.695 4.640 0.001 0.000 0.221 80 D C 0.665 176.927 176.300 -0.064 0.000 1.123 80 D CA 0.127 54.077 54.000 -0.084 0.000 0.869 80 D CB 0.808 41.569 40.800 -0.064 0.000 1.032 80 D HN 0.050 nan 8.370 nan 0.000 0.506 81 D N 2.471 122.831 120.400 -0.066 0.000 2.144 81 D HA -0.151 4.490 4.640 0.001 0.000 0.199 81 D C 1.076 177.355 176.300 -0.034 0.000 0.984 81 D CA 0.918 54.894 54.000 -0.041 0.000 0.834 81 D CB 0.315 41.094 40.800 -0.036 0.000 0.955 81 D HN 0.479 nan 8.370 nan 0.000 0.465 82 D N -0.036 120.338 120.400 -0.043 0.000 2.144 82 D HA -0.078 4.562 4.640 0.001 0.000 0.200 82 D C 2.142 178.418 176.300 -0.041 0.000 0.978 82 D CA 0.292 54.270 54.000 -0.037 0.000 0.833 82 D CB -0.035 40.742 40.800 -0.039 0.000 0.961 82 D HN 0.157 nan 8.370 nan 0.000 0.470 83 I N 0.571 121.107 120.570 -0.057 0.000 2.252 83 I HA -0.173 3.998 4.170 0.001 0.000 0.245 83 I C 2.436 178.526 176.117 -0.044 0.000 1.102 83 I CA 0.704 61.963 61.300 -0.068 0.000 1.385 83 I CB -0.821 37.113 38.000 -0.109 0.000 1.064 83 I HN 0.065 nan 8.210 nan 0.000 0.414 84 L N 0.689 121.892 121.223 -0.033 0.000 2.046 84 L HA -0.180 4.161 4.340 0.001 0.000 0.208 84 L C 2.826 179.700 176.870 0.006 0.000 1.077 84 L CA 1.431 56.264 54.840 -0.013 0.000 0.747 84 L CB -0.733 41.318 42.059 -0.012 0.000 0.896 84 L HN 0.174 nan 8.230 nan 0.000 0.432 85 A N -0.131 122.691 122.820 0.005 0.000 1.902 85 A HA -0.260 4.061 4.320 0.001 0.000 0.217 85 A C 2.203 179.792 177.584 0.008 0.000 1.181 85 A CA 1.953 54.001 52.037 0.018 0.000 0.623 85 A CB -0.468 18.539 19.000 0.011 0.000 0.818 85 A HN 0.401 nan 8.150 nan 0.000 0.443 86 E N 0.201 120.395 120.200 -0.008 0.000 2.106 86 E HA -0.138 4.212 4.350 0.001 0.000 0.192 86 E C 2.142 178.736 176.600 -0.011 0.000 0.984 86 E CA 1.327 57.718 56.400 -0.015 0.000 0.806 86 E CB -0.239 29.445 29.700 -0.025 0.000 0.750 86 E HN 0.590 nan 8.360 nan 0.000 0.458 87 R N -0.299 120.197 120.500 -0.006 0.000 2.096 87 R HA -0.071 4.270 4.340 0.001 0.000 0.235 87 R C 2.366 178.677 176.300 0.018 0.000 1.127 87 R CA 1.274 57.374 56.100 0.001 0.000 0.968 87 R CB -0.403 29.898 30.300 0.002 0.000 0.861 87 R HN 0.134 nan 8.270 nan 0.000 0.440 88 V N 1.243 121.180 119.914 0.037 0.000 2.287 88 V HA -0.287 3.833 4.120 0.001 0.000 0.248 88 V C 2.366 178.474 176.094 0.023 0.000 1.053 88 V CA 1.822 64.162 62.300 0.067 0.000 1.027 88 V CB -0.499 31.395 31.823 0.119 0.000 0.646 88 V HN 0.330 nan 8.190 nan 0.000 0.447 89 R N -0.826 119.672 120.500 -0.004 0.000 2.083 89 R HA -0.149 4.191 4.340 0.001 0.000 0.237 89 R C 2.345 178.625 176.300 -0.033 0.000 1.137 89 R CA 1.544 57.623 56.100 -0.035 0.000 0.951 89 R CB -0.399 29.880 30.300 -0.035 0.000 0.851 89 R HN 0.368 nan 8.270 nan 0.000 0.434 90 M N 0.099 119.685 119.600 -0.022 0.000 2.117 90 M HA -0.115 4.366 4.480 0.001 0.000 0.262 90 M C 2.109 178.395 176.300 -0.024 0.000 1.065 90 M CA 1.762 57.048 55.300 -0.024 0.000 1.114 90 M CB -0.999 31.589 32.600 -0.021 0.000 1.361 90 M HN 0.141 nan 8.290 nan 0.000 0.408 91 T N 0.166 114.712 114.554 -0.013 0.000 2.777 91 T HA -0.117 4.234 4.350 0.001 0.000 0.266 91 T C 2.053 176.742 174.700 -0.019 0.000 1.040 91 T CA 1.315 63.410 62.100 -0.009 0.000 1.141 91 T CB -0.436 68.441 68.868 0.015 0.000 0.868 91 T HN 0.407 nan 8.240 nan 0.000 0.444 92 C N 1.748 121.031 119.300 -0.028 0.000 2.429 92 C HA 0.071 4.531 4.460 0.001 0.000 0.277 92 C C 3.235 178.188 174.990 -0.062 0.000 1.262 92 C CA 0.384 59.366 59.018 -0.060 0.000 1.733 92 C CB -1.423 26.245 27.740 -0.121 0.000 2.010 92 C HN 0.655 nan 8.230 nan 0.000 0.483 93 A N 0.527 123.313 122.820 -0.056 0.000 1.902 93 A HA 0.060 4.380 4.320 0.001 0.000 0.217 93 A C 2.364 179.923 177.584 -0.042 0.000 1.181 93 A CA 2.110 54.117 52.037 -0.050 0.000 0.623 93 A CB -0.896 18.078 19.000 -0.044 0.000 0.818 93 A HN 0.572 nan 8.150 nan 0.000 0.443 94 A N 0.859 123.656 122.820 -0.037 0.000 1.898 94 A HA -0.160 4.161 4.320 0.001 0.000 0.216 94 A C 2.115 179.678 177.584 -0.036 0.000 1.181 94 A CA 1.925 53.941 52.037 -0.035 0.000 0.620 94 A CB -0.488 18.492 19.000 -0.034 0.000 0.819 94 A HN 0.717 nan 8.150 nan 0.000 0.442 95 K N -0.197 120.181 120.400 -0.038 0.000 2.155 95 K HA -0.060 4.261 4.320 0.001 0.000 0.203 95 K C 1.939 178.516 176.600 -0.038 0.000 1.052 95 K CA 1.473 57.737 56.287 -0.039 0.000 0.948 95 K CB -0.225 32.250 32.500 -0.041 0.000 0.728 95 K HN 0.356 nan 8.250 nan 0.000 0.448 96 K N 1.459 121.834 120.400 -0.041 0.000 2.057 96 K HA -0.189 4.132 4.320 0.001 0.000 0.207 96 K C 2.198 178.777 176.600 -0.033 0.000 1.049 96 K CA 1.656 57.918 56.287 -0.040 0.000 0.931 96 K CB 0.024 32.495 32.500 -0.049 0.000 0.714 96 K HN 0.332 nan 8.250 nan 0.000 0.440 97 E N 0.509 120.690 120.200 -0.032 0.000 2.077 97 E HA -0.185 4.165 4.350 0.001 0.000 0.193 97 E C 2.064 178.650 176.600 -0.024 0.000 0.989 97 E CA 0.943 57.327 56.400 -0.027 0.000 0.800 97 E CB 0.014 29.699 29.700 -0.026 0.000 0.746 97 E HN 0.315 nan 8.360 nan 0.000 0.452 98 L N 0.286 121.493 121.223 -0.026 0.000 2.056 98 L HA -0.144 4.197 4.340 0.001 0.000 0.207 98 L C 2.637 179.492 176.870 -0.024 0.000 1.078 98 L CA 0.974 55.799 54.840 -0.024 0.000 0.749 98 L CB -0.457 41.585 42.059 -0.028 0.000 0.901 98 L HN 0.225 nan 8.230 nan 0.000 0.433 99 A N -0.009 122.795 122.820 -0.027 0.000 1.972 99 A HA -0.179 4.142 4.320 0.001 0.000 0.219 99 A C 2.463 180.035 177.584 -0.021 0.000 1.169 99 A CA 1.584 53.606 52.037 -0.025 0.000 0.635 99 A CB -0.554 18.430 19.000 -0.027 0.000 0.810 99 A HN 0.429 nan 8.150 nan 0.000 0.446 100 A N -0.805 122.003 122.820 -0.020 0.000 2.070 100 A HA -0.016 4.304 4.320 0.001 0.000 0.220 100 A C 2.224 179.799 177.584 -0.014 0.000 1.159 100 A CA 1.775 53.801 52.037 -0.017 0.000 0.656 100 A CB -0.538 18.451 19.000 -0.017 0.000 0.800 100 A HN 0.415 nan 8.150 nan 0.000 0.453 101 S N -0.640 115.051 115.700 -0.015 0.000 2.562 101 S HA 0.229 4.700 4.470 0.001 0.000 0.221 101 S C 0.527 175.120 174.600 -0.012 0.000 0.975 101 S CA -0.211 57.982 58.200 -0.012 0.000 0.918 101 S CB -0.329 62.865 63.200 -0.011 0.000 0.772 101 S HN 0.469 nan 8.310 nan 0.000 0.531 102 L N 1.626 122.840 121.223 -0.014 0.000 2.416 102 L HA 0.106 4.447 4.340 0.001 0.000 0.272 102 L C 1.584 178.447 176.870 -0.011 0.000 1.161 102 L CA -0.112 54.719 54.840 -0.014 0.000 0.845 102 L CB 0.716 42.765 42.059 -0.017 0.000 1.119 102 L HN 0.091 nan 8.230 nan 0.000 0.464 103 T N -0.076 114.472 114.554 -0.010 0.000 2.770 103 T HA -0.098 4.253 4.350 0.001 0.000 0.263 103 T C 0.438 175.133 174.700 -0.009 0.000 1.039 103 T CA 0.933 63.028 62.100 -0.008 0.000 1.142 103 T CB -0.040 68.824 68.868 -0.007 0.000 0.868 103 T HN 0.518 nan 8.240 nan 0.000 0.435 104 D N 0.966 121.360 120.400 -0.010 0.000 2.392 104 D HA 0.252 4.892 4.640 0.001 0.000 0.228 104 D C 0.112 176.404 176.300 -0.012 0.000 1.074 104 D CA -0.278 53.715 54.000 -0.010 0.000 0.838 104 D CB 1.036 41.830 40.800 -0.010 0.000 1.067 104 D HN 0.106 nan 8.370 nan 0.000 0.511 105 K N 1.187 121.580 120.400 -0.011 0.000 2.372 105 K HA 0.090 4.411 4.320 0.001 0.000 0.200 105 K C 0.801 177.394 176.600 -0.012 0.000 1.022 105 K CA -0.271 56.008 56.287 -0.013 0.000 1.125 105 K CB 0.411 32.904 32.500 -0.012 0.000 0.855 105 K HN 0.387 nan 8.250 nan 0.000 0.524 106 S N 0.014 115.708 115.700 -0.010 0.000 2.572 106 S HA 0.245 4.716 4.470 0.001 0.000 0.279 106 S C 1.163 175.757 174.600 -0.010 0.000 1.341 106 S CA 0.177 58.372 58.200 -0.009 0.000 1.043 106 S CB 0.857 64.053 63.200 -0.007 0.000 0.887 106 S HN 0.459 nan 8.310 nan 0.000 0.516 107 G N 1.575 110.370 108.800 -0.008 0.000 2.225 107 G HA2 -0.230 3.731 3.960 0.001 0.000 0.267 107 G HA3 -0.230 3.731 3.960 0.001 0.000 0.267 107 G C -0.043 174.849 174.900 -0.013 0.000 1.024 107 G CA 0.262 45.357 45.100 -0.009 0.000 0.784 107 G HN 0.844 nan 8.290 nan 0.000 0.507 108 L N 1.452 122.668 121.223 -0.012 0.000 2.455 108 L HA 0.335 4.676 4.340 0.001 0.000 0.272 108 L C 1.634 178.497 176.870 -0.012 0.000 1.174 108 L CA 0.317 55.147 54.840 -0.017 0.000 0.869 108 L CB 0.735 42.784 42.059 -0.016 0.000 1.130 108 L HN 0.527 nan 8.230 nan 0.000 0.474 109 S N 0.723 116.409 115.700 -0.024 0.000 2.608 109 S HA -0.018 4.452 4.470 0.001 0.000 0.261 109 S C 0.740 175.341 174.600 0.001 0.000 1.314 109 S CA -0.351 57.839 58.200 -0.016 0.000 0.992 109 S CB 1.130 64.304 63.200 -0.043 0.000 0.935 109 S HN 0.726 nan 8.310 nan 0.000 0.564 110 D N 0.917 121.340 120.400 0.039 0.000 2.144 110 D HA -0.043 4.597 4.640 0.001 0.000 0.199 110 D C 2.045 178.373 176.300 0.046 0.000 0.984 110 D CA 1.629 55.695 54.000 0.109 0.000 0.834 110 D CB -0.538 40.375 40.800 0.189 0.000 0.955 110 D HN 0.683 nan 8.370 nan 0.000 0.465 111 A N 0.385 123.076 122.820 -0.215 0.000 1.902 111 A HA 0.001 4.322 4.320 0.001 0.000 0.217 111 A C 2.344 179.753 177.584 -0.292 0.000 1.181 111 A CA 2.092 53.693 52.037 -0.727 0.000 0.623 111 A CB -0.971 17.530 19.000 -0.831 0.000 0.818 111 A HN 0.308 nan 8.150 nan 0.000 0.443 112 A N -0.692 122.038 122.820 -0.151 0.000 1.930 112 A HA 0.087 4.408 4.320 0.001 0.000 0.217 112 A C 2.069 179.638 177.584 -0.025 0.000 1.175 112 A CA 1.429 53.417 52.037 -0.081 0.000 0.627 112 A CB -0.386 18.575 19.000 -0.065 0.000 0.815 112 A HN 0.466 nan 8.150 nan 0.000 0.443 113 L N -3.098 118.138 121.223 0.020 0.000 2.408 113 L HA 0.102 4.443 4.340 0.001 0.000 0.215 113 L C 1.095 178.022 176.870 0.095 0.000 1.081 113 L CA -0.506 54.362 54.840 0.046 0.000 0.840 113 L CB -0.162 41.928 42.059 0.053 0.000 1.002 113 L HN 0.613 nan 8.230 nan 0.000 0.468 114 W N 3.498 124.794 121.300 -0.005 0.000 2.181 114 W HA 0.206 4.867 4.660 0.001 0.000 0.335 114 W C 0.384 176.925 176.519 0.037 0.000 1.310 114 W CA -0.098 57.279 57.345 0.053 0.000 1.226 114 W CB 0.430 29.996 29.460 0.177 0.000 1.155 114 W HN 0.080 nan 8.180 nan 0.000 0.565 115 E N 4.116 123.705 120.200 -1.018 0.000 2.412 115 E HA 0.827 5.178 4.350 0.001 0.000 0.279 115 E C -1.801 173.997 176.600 -1.336 0.000 0.984 115 E CA -1.341 54.415 56.400 -1.075 0.000 0.788 115 E CB 1.558 30.982 29.700 -0.460 0.000 1.277 115 E HN 0.585 nan 8.360 nan 0.000 0.455 116 A N 0.620 122.856 122.820 -0.973 0.000 2.589 116 A HA 0.589 4.910 4.320 0.001 0.000 0.296 116 A C -0.418 177.007 177.584 -0.265 0.000 1.062 116 A CA -0.255 51.472 52.037 -0.517 0.000 0.686 116 A CB 1.935 20.730 19.000 -0.341 0.000 1.282 116 A HN 0.491 nan 8.150 nan 0.000 0.404 117 S N -0.236 115.375 115.700 -0.148 0.000 2.554 117 S HA 0.166 4.637 4.470 0.001 0.000 0.227 117 S C 0.468 175.044 174.600 -0.040 0.000 1.050 117 S CA 0.539 58.687 58.200 -0.086 0.000 0.927 117 S CB -0.093 63.059 63.200 -0.079 0.000 0.859 117 S HN 0.748 nan 8.310 nan 0.000 0.494 118 E N 2.199 122.383 120.200 -0.026 0.000 2.259 118 E HA 0.224 4.575 4.350 0.001 0.000 0.281 118 E C 0.893 177.509 176.600 0.027 0.000 1.037 118 E CA -0.063 56.337 56.400 0.001 0.000 0.854 118 E CB 0.987 30.689 29.700 0.005 0.000 1.051 118 E HN 0.173 nan 8.360 nan 0.000 0.409 119 K N 2.523 122.937 120.400 0.024 0.000 2.074 119 K HA -0.212 4.109 4.320 0.001 0.000 0.209 119 K C 1.663 178.293 176.600 0.050 0.000 1.048 119 K CA 1.783 58.093 56.287 0.038 0.000 0.926 119 K CB -0.117 32.395 32.500 0.020 0.000 0.713 119 K HN 0.635 nan 8.250 nan 0.000 0.444 120 S N 0.196 115.920 115.700 0.039 0.000 2.383 120 S HA -0.147 4.323 4.470 0.001 0.000 0.229 120 S C 2.153 176.792 174.600 0.065 0.000 1.030 120 S CA 1.064 59.288 58.200 0.040 0.000 1.002 120 S CB -0.386 62.830 63.200 0.028 0.000 0.829 120 S HN 0.407 nan 8.310 nan 0.000 0.467 121 A N 1.862 124.734 122.820 0.087 0.000 1.969 121 A HA 0.172 4.493 4.320 0.001 0.000 0.218 121 A C 2.321 180.050 177.584 0.241 0.000 1.169 121 A CA 1.403 53.527 52.037 0.145 0.000 0.635 121 A CB -0.711 18.370 19.000 0.135 0.000 0.810 121 A HN 0.593 nan 8.150 nan 0.000 0.445 122 M N -0.498 119.243 119.600 0.235 0.000 2.117 122 M HA -0.085 4.396 4.480 0.001 0.000 0.262 122 M C 2.052 178.425 176.300 0.123 0.000 1.065 122 M CA 1.340 56.815 55.300 0.291 0.000 1.114 122 M CB -0.557 32.186 32.600 0.237 0.000 1.361 122 M HN 0.339 nan 8.290 nan 0.000 0.408 123 L N -0.038 121.231 121.223 0.076 0.000 2.046 123 L HA -0.173 4.168 4.340 0.001 0.000 0.208 123 L C 2.866 179.736 176.870 0.000 0.000 1.077 123 L CA 1.227 56.082 54.840 0.025 0.000 0.747 123 L CB -0.944 41.128 42.059 0.021 0.000 0.896 123 L HN 0.319 nan 8.230 nan 0.000 0.432 124 A N -0.075 122.757 122.820 0.021 0.000 1.969 124 A HA -0.227 4.094 4.320 0.001 0.000 0.218 124 A C 2.294 179.846 177.584 -0.054 0.000 1.169 124 A CA 1.814 53.850 52.037 -0.002 0.000 0.635 124 A CB -0.323 18.694 19.000 0.029 0.000 0.810 124 A HN 0.220 nan 8.150 nan 0.000 0.445 125 K N 0.265 120.619 120.400 -0.077 0.000 2.155 125 K HA 0.136 4.457 4.320 0.001 0.000 0.203 125 K C 1.931 178.320 176.600 -0.352 0.000 1.052 125 K CA 1.337 57.453 56.287 -0.285 0.000 0.948 125 K CB -0.556 31.610 32.500 -0.557 0.000 0.728 125 K HN 0.289 nan 8.250 nan 0.000 0.448 126 A N 0.288 122.966 122.820 -0.237 0.000 1.948 126 A HA -0.098 4.223 4.320 0.001 0.000 0.220 126 A C 2.356 179.821 177.584 -0.199 0.000 1.177 126 A CA 1.946 53.853 52.037 -0.216 0.000 0.636 126 A CB -1.416 17.518 19.000 -0.110 0.000 0.815 126 A HN 0.471 nan 8.150 nan 0.000 0.449 127 G N -0.881 107.825 108.800 -0.156 0.000 2.479 127 G HA2 -0.128 3.832 3.960 0.001 0.000 0.220 127 G HA3 -0.128 3.832 3.960 0.001 0.000 0.220 127 G C 1.388 176.195 174.900 -0.155 0.000 1.115 127 G CA 1.789 46.811 45.100 -0.129 0.000 0.757 127 G HN 0.778 nan 8.290 nan 0.000 0.560 128 T N -2.160 112.267 114.554 -0.212 0.000 3.092 128 T HA 0.276 4.627 4.350 0.001 0.000 0.258 128 T C 1.281 175.817 174.700 -0.274 0.000 1.031 128 T CA 0.615 62.587 62.100 -0.214 0.000 0.925 128 T CB 0.712 69.456 68.868 -0.208 0.000 1.036 128 T HN 0.543 nan 8.240 nan 0.000 0.544 129 V N -2.597 117.114 119.914 -0.338 0.000 3.252 129 V HA 0.705 4.825 4.120 0.001 0.000 0.320 129 V C 0.842 176.854 176.094 -0.137 0.000 1.459 129 V CA -0.232 61.829 62.300 -0.398 0.000 1.095 129 V CB -0.174 31.018 31.823 -1.052 0.000 0.997 129 V HN 0.369 nan 8.190 nan 0.000 0.469 130 G N 0.456 109.190 108.800 -0.110 0.000 2.509 130 G HA2 0.396 4.357 3.960 0.001 0.000 0.269 130 G HA3 0.396 4.357 3.960 0.001 0.000 0.269 130 G C 0.853 175.694 174.900 -0.098 0.000 1.416 130 G CA 0.336 45.386 45.100 -0.084 0.000 1.052 130 G HN 0.060 nan 8.290 nan 0.000 0.542 131 V N 0.525 120.182 119.914 -0.429 0.000 2.282 131 V HA -0.179 3.942 4.120 0.001 0.000 0.249 131 V C 2.786 178.691 176.094 -0.315 0.000 1.057 131 V CA 1.626 63.490 62.300 -0.725 0.000 1.032 131 V CB -0.431 30.855 31.823 -0.894 0.000 0.645 131 V HN 0.437 nan 8.190 nan 0.000 0.447 132 M N -0.340 119.060 119.600 -0.333 0.000 2.659 132 M HA 0.115 4.596 4.480 0.001 0.000 0.243 132 M C 2.107 178.327 176.300 -0.133 0.000 1.111 132 M CA 0.978 56.108 55.300 -0.283 0.000 1.070 132 M CB -1.589 30.794 32.600 -0.362 0.000 1.525 132 M HN 0.393 nan 8.290 nan 0.000 0.517 133 A N -0.162 122.618 122.820 -0.067 0.000 2.067 133 A HA -0.024 4.297 4.320 0.001 0.000 0.219 133 A C 1.127 178.720 177.584 0.015 0.000 1.158 133 A CA 0.965 52.986 52.037 -0.027 0.000 0.661 133 A CB -0.589 18.405 19.000 -0.011 0.000 0.801 133 A HN 0.380 nan 8.150 nan 0.000 0.452 134 T N 0.716 115.306 114.554 0.060 0.000 2.728 134 T HA 0.320 4.671 4.350 0.001 0.000 0.296 134 T C 1.583 176.298 174.700 0.024 0.000 0.940 134 T CA 0.382 62.522 62.100 0.066 0.000 1.013 134 T CB 1.323 70.274 68.868 0.138 0.000 0.912 134 T HN 0.547 nan 8.240 nan 0.000 0.484 135 T N 0.620 115.179 114.554 0.008 0.000 2.812 135 T HA -0.064 4.286 4.350 0.001 0.000 0.264 135 T C 0.697 175.400 174.700 0.004 0.000 1.042 135 T CA 0.411 62.507 62.100 -0.007 0.000 1.140 135 T CB -0.352 68.510 68.868 -0.010 0.000 0.870 135 T HN 0.551 nan 8.240 nan 0.000 0.445 136 D N 1.384 121.794 120.400 0.017 0.000 2.390 136 D HA 0.126 4.767 4.640 0.001 0.000 0.249 136 D C 0.541 176.865 176.300 0.040 0.000 1.144 136 D CA -0.250 53.763 54.000 0.022 0.000 0.880 136 D CB 0.756 41.568 40.800 0.021 0.000 1.182 136 D HN 0.014 nan 8.370 nan 0.000 0.451 137 D N 2.738 123.161 120.400 0.039 0.000 2.144 137 D HA -0.136 4.504 4.640 0.001 0.000 0.199 137 D C 0.984 177.333 176.300 0.082 0.000 0.984 137 D CA 0.994 55.030 54.000 0.060 0.000 0.834 137 D CB 0.093 40.924 40.800 0.051 0.000 0.955 137 D HN 0.514 nan 8.370 nan 0.000 0.465 138 D N -0.104 120.333 120.400 0.062 0.000 2.137 138 D HA -0.052 4.589 4.640 0.001 0.000 0.202 138 D C 2.332 178.670 176.300 0.065 0.000 0.970 138 D CA 0.290 54.328 54.000 0.064 0.000 0.837 138 D CB -0.184 40.643 40.800 0.044 0.000 0.981 138 D HN 0.051 nan 8.370 nan 0.000 0.475 139 V N 1.221 121.165 119.914 0.051 0.000 2.343 139 V HA -0.232 3.888 4.120 0.001 0.000 0.247 139 V C 2.578 178.714 176.094 0.070 0.000 1.051 139 V CA 1.590 63.913 62.300 0.038 0.000 1.036 139 V CB -0.442 31.394 31.823 0.021 0.000 0.654 139 V HN 0.111 nan 8.190 nan 0.000 0.451 140 R N 0.059 120.633 120.500 0.123 0.000 2.083 140 R HA -0.195 4.145 4.340 0.001 0.000 0.237 140 R C 2.665 179.162 176.300 0.328 0.000 1.137 140 R CA 1.963 58.211 56.100 0.246 0.000 0.951 140 R CB -0.531 29.897 30.300 0.213 0.000 0.851 140 R HN 0.482 nan 8.270 nan 0.000 0.434 141 S N 0.161 116.011 115.700 0.250 0.000 2.359 141 S HA -0.126 4.344 4.470 0.001 0.000 0.224 141 S C 1.967 176.669 174.600 0.171 0.000 1.035 141 S CA 1.422 59.778 58.200 0.260 0.000 1.018 141 S CB -0.222 63.093 63.200 0.192 0.000 0.876 141 S HN 0.378 nan 8.310 nan 0.000 0.448 142 L N 0.658 121.933 121.223 0.087 0.000 2.056 142 L HA 0.011 4.351 4.340 0.001 0.000 0.207 142 L C 2.953 179.771 176.870 -0.087 0.000 1.078 142 L CA 1.238 56.088 54.840 0.016 0.000 0.749 142 L CB -0.424 41.641 42.059 0.009 0.000 0.901 142 L HN 0.243 nan 8.230 nan 0.000 0.433 143 R N -0.942 119.478 120.500 -0.135 0.000 2.091 143 R HA -0.201 4.140 4.340 0.001 0.000 0.238 143 R C 2.098 178.004 176.300 -0.656 0.000 1.136 143 R CA 2.070 57.942 56.100 -0.379 0.000 0.959 143 R CB -0.362 29.675 30.300 -0.438 0.000 0.856 143 R HN 0.367 nan 8.270 nan 0.000 0.437 144 W N 0.085 121.210 121.300 -0.291 0.000 2.453 144 W HA -0.015 4.646 4.660 0.001 0.000 0.289 144 W C 1.932 177.827 176.519 -1.039 0.000 1.215 144 W CA -0.142 56.779 57.345 -0.705 0.000 1.297 144 W CB -0.415 28.798 29.460 -0.411 0.000 1.113 144 W HN 0.066 nan 8.180 nan 0.000 0.551 145 L N 0.754 121.771 121.223 -0.344 0.000 2.012 145 L HA -0.201 4.140 4.340 0.001 0.000 0.210 145 L C 1.952 178.685 176.870 -0.228 0.000 1.073 145 L CA 1.990 56.704 54.840 -0.211 0.000 0.748 145 L CB -0.941 41.161 42.059 0.073 0.000 0.891 145 L HN 0.031 nan 8.230 nan 0.000 0.431 146 I N -1.087 119.342 120.570 -0.235 0.000 2.179 146 I HA -0.292 3.878 4.170 0.001 0.000 0.242 146 I C 2.252 178.216 176.117 -0.256 0.000 1.088 146 I CA 1.695 62.882 61.300 -0.190 0.000 1.357 146 I CB -0.711 37.181 38.000 -0.181 0.000 1.051 146 I HN 0.278 nan 8.210 nan 0.000 0.409 147 T N 1.067 115.350 114.554 -0.452 0.000 2.720 147 T HA -0.164 4.187 4.350 0.001 0.000 0.268 147 T C 1.632 176.231 174.700 -0.170 0.000 1.037 147 T CA 1.556 63.408 62.100 -0.414 0.000 1.144 147 T CB -0.323 68.130 68.868 -0.691 0.000 0.864 147 T HN 0.102 nan 8.240 nan 0.000 0.444 148 F N 1.562 121.435 119.950 -0.128 0.000 2.146 148 F HA 0.132 4.660 4.527 0.001 0.000 0.298 148 F C 2.716 178.450 175.800 -0.111 0.000 1.096 148 F CA 0.280 58.196 58.000 -0.140 0.000 1.275 148 F CB -1.584 37.230 39.000 -0.309 0.000 1.008 148 F HN 0.222 nan 8.300 nan 0.000 0.480 149 G N 0.448 109.280 108.800 0.053 0.000 2.440 149 G HA2 -0.214 3.747 3.960 0.001 0.000 0.218 149 G HA3 -0.214 3.747 3.960 0.001 0.000 0.218 149 G C 1.848 176.755 174.900 0.013 0.000 1.154 149 G CA 0.856 45.975 45.100 0.032 0.000 0.767 149 G HN 0.342 nan 8.290 nan 0.000 0.552 150 L N -0.058 121.160 121.223 -0.009 0.000 2.083 150 L HA -0.070 4.270 4.340 0.001 0.000 0.209 150 L C 2.970 179.813 176.870 -0.045 0.000 1.083 150 L CA 1.248 56.075 54.840 -0.022 0.000 0.752 150 L CB -0.300 41.712 42.059 -0.079 0.000 0.899 150 L HN 0.191 nan 8.230 nan 0.000 0.433 151 K N 0.039 120.420 120.400 -0.032 0.000 2.026 151 K HA -0.132 4.189 4.320 0.001 0.000 0.208 151 K C 2.173 178.651 176.600 -0.204 0.000 1.048 151 K CA 1.421 57.666 56.287 -0.070 0.000 0.929 151 K CB -0.544 31.957 32.500 0.002 0.000 0.713 151 K HN 0.404 nan 8.250 nan 0.000 0.439 152 G N 1.505 110.187 108.800 -0.196 0.000 2.418 152 G HA2 -0.280 3.681 3.960 0.001 0.000 0.217 152 G HA3 -0.280 3.681 3.960 0.001 0.000 0.217 152 G C 1.453 176.085 174.900 -0.447 0.000 1.158 152 G CA 0.731 45.606 45.100 -0.375 0.000 0.771 152 G HN 0.193 nan 8.290 nan 0.000 0.545 153 M N 0.838 120.331 119.600 -0.179 0.000 2.108 153 M HA -0.031 4.449 4.480 0.001 0.000 0.261 153 M C 2.780 179.049 176.300 -0.052 0.000 1.066 153 M CA 1.840 57.117 55.300 -0.037 0.000 1.107 153 M CB -0.135 32.510 32.600 0.075 0.000 1.356 153 M HN 0.288 nan 8.290 nan 0.000 0.406 154 A N 0.163 122.922 122.820 -0.103 0.000 1.933 154 A HA -0.052 4.268 4.320 0.001 0.000 0.218 154 A C 2.290 179.770 177.584 -0.174 0.000 1.175 154 A CA 1.853 53.839 52.037 -0.086 0.000 0.628 154 A CB -1.116 17.839 19.000 -0.074 0.000 0.814 154 A HN 0.668 nan 8.150 nan 0.000 0.444 155 A N -0.968 121.568 122.820 -0.472 0.000 1.883 155 A HA -0.098 4.222 4.320 0.001 0.000 0.217 155 A C 2.102 179.593 177.584 -0.156 0.000 1.186 155 A CA 1.719 53.258 52.037 -0.830 0.000 0.624 155 A CB -0.849 17.273 19.000 -1.463 0.000 0.822 155 A HN 0.547 nan 8.150 nan 0.000 0.444 156 Y N -0.197 120.069 120.300 -0.056 0.000 2.181 156 Y HA -0.038 4.512 4.550 0.001 0.000 0.288 156 Y C 2.989 178.957 175.900 0.113 0.000 1.146 156 Y CA 0.205 58.364 58.100 0.097 0.000 1.164 156 Y CB -1.293 37.204 38.460 0.062 0.000 0.982 156 Y HN 0.331 nan 8.280 nan 0.000 0.515 157 A N 0.038 122.989 122.820 0.218 0.000 1.940 157 A HA -0.251 4.069 4.320 0.001 0.000 0.219 157 A C 2.343 180.026 177.584 0.165 0.000 1.176 157 A CA 2.021 54.165 52.037 0.177 0.000 0.631 157 A CB -0.665 18.420 19.000 0.143 0.000 0.814 157 A HN 0.424 nan 8.150 nan 0.000 0.446 158 K N -1.303 119.167 120.400 0.117 0.000 2.057 158 K HA -0.180 4.140 4.320 0.001 0.000 0.206 158 K C 1.853 178.507 176.600 0.090 0.000 1.050 158 K CA 1.587 57.926 56.287 0.086 0.000 0.935 158 K CB -0.275 32.278 32.500 0.089 0.000 0.715 158 K HN 0.711 nan 8.250 nan 0.000 0.439 159 H N -0.610 118.606 119.070 0.242 0.000 2.387 159 H HA -0.082 4.474 4.556 0.001 0.000 0.299 159 H C 1.920 177.355 175.328 0.178 0.000 1.090 159 H CA 1.447 57.630 56.048 0.225 0.000 1.332 159 H CB 0.023 29.938 29.762 0.255 0.000 1.386 159 H HN 0.348 nan 8.280 nan 0.000 0.516 160 A N 0.595 123.579 122.820 0.274 0.000 1.902 160 A HA -0.234 4.087 4.320 0.001 0.000 0.217 160 A C 2.008 179.702 177.584 0.184 0.000 1.181 160 A CA 1.958 54.111 52.037 0.195 0.000 0.623 160 A CB -0.442 18.654 19.000 0.160 0.000 0.818 160 A HN 0.446 nan 8.150 nan 0.000 0.443 161 D N -0.444 120.074 120.400 0.196 0.000 2.117 161 D HA -0.116 4.524 4.640 0.001 0.000 0.197 161 D C 1.769 178.168 176.300 0.165 0.000 0.987 161 D CA 1.403 55.526 54.000 0.206 0.000 0.829 161 D CB -0.161 40.757 40.800 0.197 0.000 0.961 161 D HN 0.121 nan 8.370 nan 0.000 0.460 162 V N 0.362 120.366 119.914 0.151 0.000 2.453 162 V HA -0.205 3.916 4.120 0.001 0.000 0.252 162 V C 2.180 178.356 176.094 0.137 0.000 1.068 162 V CA 1.246 63.629 62.300 0.138 0.000 1.070 162 V CB -0.386 31.537 31.823 0.166 0.000 0.664 162 V HN 0.331 nan 8.190 nan 0.000 0.461 163 L N -0.074 121.234 121.223 0.142 0.000 2.629 163 L HA 0.353 4.694 4.340 0.001 0.000 0.230 163 L C 1.574 178.489 176.870 0.075 0.000 1.151 163 L CA 0.746 55.644 54.840 0.097 0.000 0.924 163 L CB -0.146 41.962 42.059 0.083 0.000 1.137 163 L HN 0.506 nan 8.230 nan 0.000 0.457 164 G N -0.323 108.544 108.800 0.111 0.000 2.157 164 G HA2 -0.207 3.753 3.960 0.001 0.000 0.239 164 G HA3 -0.207 3.753 3.960 0.001 0.000 0.239 164 G C 0.007 174.986 174.900 0.132 0.000 0.982 164 G CA -0.306 44.865 45.100 0.118 0.000 0.650 164 G HN 0.144 nan 8.290 nan 0.000 0.527 165 K N 0.888 121.370 120.400 0.137 0.000 2.307 165 K HA 0.673 4.994 4.320 0.001 0.000 0.263 165 K C -0.169 176.533 176.600 0.171 0.000 0.973 165 K CA -0.508 55.832 56.287 0.089 0.000 0.846 165 K CB 1.412 33.945 32.500 0.055 0.000 1.100 165 K HN 0.890 nan 8.250 nan 0.000 0.438 166 H N -1.388 117.673 119.070 -0.014 0.000 3.046 166 H HA 0.535 5.091 4.556 0.001 0.000 0.363 166 H C -1.235 174.067 175.328 -0.043 0.000 1.203 166 H CA -0.925 55.110 56.048 -0.021 0.000 1.169 166 H CB 1.632 31.330 29.762 -0.108 0.000 1.851 166 H HN 0.351 nan 8.280 nan 0.000 0.546 167 E N 1.393 121.618 120.200 0.041 0.000 2.199 167 E HA 0.122 4.473 4.350 0.001 0.000 0.265 167 E C 0.199 176.851 176.600 0.086 0.000 0.882 167 E CA -0.839 55.566 56.400 0.007 0.000 0.759 167 E CB 1.993 31.725 29.700 0.052 0.000 1.148 167 E HN 0.740 nan 8.360 nan 0.000 0.412 168 N N 1.937 120.671 118.700 0.058 0.000 2.137 168 N HA -0.203 4.538 4.740 0.001 0.000 0.190 168 N C 1.567 177.135 175.510 0.096 0.000 1.017 168 N CA 1.929 55.032 53.050 0.088 0.000 0.859 168 N CB 0.201 38.722 38.487 0.057 0.000 1.002 168 N HN 0.455 nan 8.380 nan 0.000 0.428 169 S N 0.571 116.338 115.700 0.111 0.000 2.399 169 S HA -0.143 4.328 4.470 0.001 0.000 0.231 169 S C 2.048 176.745 174.600 0.162 0.000 1.022 169 S CA 0.670 58.965 58.200 0.158 0.000 0.983 169 S CB -0.466 62.871 63.200 0.229 0.000 0.803 169 S HN 0.297 nan 8.310 nan 0.000 0.480 170 L N 2.374 123.711 121.223 0.190 0.000 2.023 170 L HA 0.046 4.386 4.340 0.001 0.000 0.205 170 L C 1.885 178.817 176.870 0.103 0.000 1.073 170 L CA 1.981 56.935 54.840 0.191 0.000 0.745 170 L CB -0.912 41.284 42.059 0.230 0.000 0.900 170 L HN 0.154 nan 8.230 nan 0.000 0.435 171 D N -0.059 120.409 120.400 0.114 0.000 2.144 171 D HA -0.172 4.469 4.640 0.001 0.000 0.199 171 D C 2.068 178.372 176.300 0.008 0.000 0.984 171 D CA 1.485 55.533 54.000 0.080 0.000 0.834 171 D CB 0.045 40.931 40.800 0.143 0.000 0.955 171 D HN 0.510 nan 8.370 nan 0.000 0.465 172 A N 0.924 123.750 122.820 0.010 0.000 1.902 172 A HA -0.175 4.146 4.320 0.001 0.000 0.217 172 A C 2.050 179.560 177.584 -0.123 0.000 1.181 172 A CA 0.937 52.952 52.037 -0.037 0.000 0.623 172 A CB -0.958 18.041 19.000 -0.001 0.000 0.818 172 A HN 0.235 nan 8.150 nan 0.000 0.443 173 F N 0.023 119.786 119.950 -0.312 0.000 2.102 173 F HA -0.190 4.337 4.527 0.001 0.000 0.298 173 F C 2.285 177.883 175.800 -0.337 0.000 1.105 173 F CA 2.169 59.864 58.000 -0.508 0.000 1.239 173 F CB -0.290 37.941 39.000 -1.281 0.000 0.991 173 F HN 0.261 nan 8.300 nan 0.000 0.474 174 M N 0.057 119.456 119.600 -0.334 0.000 2.108 174 M HA -0.300 4.181 4.480 0.001 0.000 0.261 174 M C 2.151 178.235 176.300 -0.360 0.000 1.066 174 M CA 2.055 57.162 55.300 -0.322 0.000 1.107 174 M CB -0.272 32.273 32.600 -0.091 0.000 1.356 174 M HN 0.309 nan 8.290 nan 0.000 0.406 175 Q N -0.573 119.068 119.800 -0.264 0.000 2.123 175 Q HA -0.209 4.132 4.340 0.001 0.000 0.199 175 Q C 1.905 177.748 176.000 -0.262 0.000 0.966 175 Q CA 1.712 57.387 55.803 -0.214 0.000 0.845 175 Q CB -0.143 28.515 28.738 -0.134 0.000 0.907 175 Q HN 0.632 nan 8.270 nan 0.000 0.439 176 E N 0.572 120.576 120.200 -0.327 0.000 2.072 176 E HA -0.187 4.163 4.350 0.001 0.000 0.191 176 E C 1.896 178.259 176.600 -0.396 0.000 0.985 176 E CA 0.964 57.176 56.400 -0.313 0.000 0.801 176 E CB -0.051 29.481 29.700 -0.280 0.000 0.750 176 E HN 0.330 nan 8.360 nan 0.000 0.452 177 A N 1.139 123.565 122.820 -0.658 0.000 1.902 177 A HA -0.141 4.179 4.320 0.001 0.000 0.217 177 A C 2.219 179.576 177.584 -0.379 0.000 1.181 177 A CA 1.098 52.781 52.037 -0.591 0.000 0.623 177 A CB -0.711 17.752 19.000 -0.895 0.000 0.818 177 A HN 0.320 nan 8.150 nan 0.000 0.443 178 L N -0.696 120.316 121.223 -0.351 0.000 2.013 178 L HA -0.267 4.073 4.340 0.001 0.000 0.212 178 L C 3.133 179.861 176.870 -0.237 0.000 1.073 178 L CA 1.296 55.973 54.840 -0.271 0.000 0.753 178 L CB -0.569 41.357 42.059 -0.221 0.000 0.890 178 L HN 0.457 nan 8.230 nan 0.000 0.432 179 A N -0.139 122.551 122.820 -0.216 0.000 1.908 179 A HA -0.237 4.084 4.320 0.001 0.000 0.218 179 A C 2.297 179.783 177.584 -0.164 0.000 1.181 179 A CA 1.785 53.718 52.037 -0.172 0.000 0.627 179 A CB -0.396 18.514 19.000 -0.151 0.000 0.818 179 A HN 0.336 nan 8.150 nan 0.000 0.445 180 K N -0.484 119.808 120.400 -0.180 0.000 2.209 180 K HA -0.109 4.212 4.320 0.001 0.000 0.204 180 K C 1.963 178.467 176.600 -0.158 0.000 1.048 180 K CA 1.608 57.805 56.287 -0.150 0.000 0.940 180 K CB -0.356 32.057 32.500 -0.145 0.000 0.729 180 K HN 0.747 nan 8.250 nan 0.000 0.451 181 T N -1.082 113.347 114.554 -0.210 0.000 3.113 181 T HA -0.004 4.346 4.350 0.001 0.000 0.263 181 T C 1.456 176.034 174.700 -0.204 0.000 1.143 181 T CA 0.628 62.578 62.100 -0.249 0.000 1.090 181 T CB -0.070 68.566 68.868 -0.386 0.000 0.922 181 T HN 0.102 nan 8.240 nan 0.000 0.521 182 L N 0.251 121.383 121.223 -0.152 0.000 2.693 182 L HA 0.338 4.678 4.340 0.001 0.000 0.235 182 L C 0.600 177.428 176.870 -0.070 0.000 1.127 182 L CA -0.207 54.574 54.840 -0.098 0.000 0.914 182 L CB 0.198 42.202 42.059 -0.092 0.000 1.193 182 L HN 0.175 nan 8.230 nan 0.000 0.502 183 D N 0.703 121.055 120.400 -0.079 0.000 2.365 183 D HA 0.018 4.659 4.640 0.001 0.000 0.237 183 D C 0.480 176.753 176.300 -0.045 0.000 1.190 183 D CA -0.046 53.920 54.000 -0.058 0.000 0.867 183 D CB 1.128 41.891 40.800 -0.062 0.000 1.050 183 D HN 0.001 nan 8.370 nan 0.000 0.491 184 D N 1.433 121.815 120.400 -0.030 0.000 2.350 184 D HA -0.133 4.508 4.640 0.001 0.000 0.216 184 D C 1.732 178.021 176.300 -0.018 0.000 0.968 184 D CA 0.564 54.551 54.000 -0.021 0.000 0.894 184 D CB 0.160 40.953 40.800 -0.012 0.000 0.909 184 D HN 0.441 nan 8.370 nan 0.000 0.520 185 S N -0.480 115.208 115.700 -0.021 0.000 2.527 185 S HA 0.028 4.498 4.470 0.001 0.000 0.222 185 S C 1.003 175.593 174.600 -0.017 0.000 0.985 185 S CA -0.261 57.929 58.200 -0.016 0.000 0.921 185 S CB -0.177 63.013 63.200 -0.016 0.000 0.772 185 S HN 0.112 nan 8.310 nan 0.000 0.529 186 L N 3.500 124.709 121.223 -0.022 0.000 2.416 186 L HA 0.285 4.625 4.340 0.001 0.000 0.272 186 L C 0.926 177.788 176.870 -0.014 0.000 1.161 186 L CA -0.550 54.278 54.840 -0.020 0.000 0.845 186 L CB 0.726 42.766 42.059 -0.031 0.000 1.119 186 L HN 0.364 nan 8.230 nan 0.000 0.464 187 S N 1.946 117.642 115.700 -0.007 0.000 2.645 187 S HA 0.202 4.673 4.470 0.001 0.000 0.266 187 S C 1.141 175.740 174.600 -0.000 0.000 1.258 187 S CA -0.949 57.249 58.200 -0.003 0.000 0.990 187 S CB 1.569 64.769 63.200 -0.000 0.000 0.967 187 S HN 0.328 nan 8.310 nan 0.000 0.556 188 V N 1.514 121.431 119.914 0.004 0.000 2.332 188 V HA -0.185 3.936 4.120 0.001 0.000 0.248 188 V C 2.974 179.074 176.094 0.011 0.000 1.055 188 V CA 2.388 64.693 62.300 0.009 0.000 1.038 188 V CB -1.792 30.039 31.823 0.013 0.000 0.651 188 V HN 1.006 nan 8.190 nan 0.000 0.450 189 A N -0.200 122.626 122.820 0.009 0.000 1.908 189 A HA -0.273 4.048 4.320 0.001 0.000 0.218 189 A C 2.016 179.609 177.584 0.015 0.000 1.181 189 A CA 2.067 54.111 52.037 0.012 0.000 0.627 189 A CB -0.659 18.345 19.000 0.007 0.000 0.818 189 A HN 0.547 nan 8.150 nan 0.000 0.445 190 D N 0.020 120.426 120.400 0.010 0.000 2.123 190 D HA -0.137 4.504 4.640 0.001 0.000 0.196 190 D C 1.912 178.220 176.300 0.014 0.000 0.992 190 D CA 1.218 55.225 54.000 0.011 0.000 0.833 190 D CB -0.331 40.469 40.800 0.001 0.000 0.954 190 D HN 0.471 nan 8.370 nan 0.000 0.455 191 L N 0.237 121.464 121.223 0.006 0.000 2.156 191 L HA -0.103 4.238 4.340 0.001 0.000 0.208 191 L C 2.530 179.412 176.870 0.021 0.000 1.095 191 L CA 0.329 55.169 54.840 0.001 0.000 0.770 191 L CB -0.145 41.906 42.059 -0.013 0.000 0.914 191 L HN -0.080 nan 8.230 nan 0.000 0.439 192 V N 0.079 120.012 119.914 0.031 0.000 2.343 192 V HA -0.283 3.838 4.120 0.001 0.000 0.247 192 V C 2.752 178.884 176.094 0.063 0.000 1.051 192 V CA 1.802 64.133 62.300 0.051 0.000 1.036 192 V CB -0.833 31.021 31.823 0.051 0.000 0.654 192 V HN 0.477 nan 8.190 nan 0.000 0.451 193 A N -0.194 122.658 122.820 0.053 0.000 1.902 193 A HA -0.201 4.119 4.320 0.001 0.000 0.217 193 A C 2.151 179.782 177.584 0.078 0.000 1.181 193 A CA 2.045 54.119 52.037 0.062 0.000 0.623 193 A CB -0.582 18.448 19.000 0.050 0.000 0.818 193 A HN 0.449 nan 8.150 nan 0.000 0.443 194 L N -0.212 121.056 121.223 0.074 0.000 2.141 194 L HA -0.083 4.258 4.340 0.001 0.000 0.209 194 L C 2.378 179.319 176.870 0.118 0.000 1.094 194 L CA 2.592 57.497 54.840 0.108 0.000 0.763 194 L CB -0.993 41.101 42.059 0.057 0.000 0.908 194 L HN 0.367 nan 8.230 nan 0.000 0.437 195 T N -0.373 114.224 114.554 0.072 0.000 2.746 195 T HA -0.156 4.195 4.350 0.001 0.000 0.267 195 T C 1.936 176.670 174.700 0.056 0.000 1.039 195 T CA 1.792 63.926 62.100 0.057 0.000 1.142 195 T CB -0.258 68.635 68.868 0.042 0.000 0.866 195 T HN 0.295 nan 8.240 nan 0.000 0.444 196 L N 0.534 121.794 121.223 0.062 0.000 2.093 196 L HA -0.021 4.319 4.340 0.001 0.000 0.208 196 L C 2.767 179.653 176.870 0.028 0.000 1.085 196 L CA 1.202 56.066 54.840 0.039 0.000 0.755 196 L CB -0.401 41.706 42.059 0.079 0.000 0.904 196 L HN 0.322 nan 8.230 nan 0.000 0.435 197 E N -0.311 119.929 120.200 0.067 0.000 2.110 197 E HA -0.199 4.152 4.350 0.001 0.000 0.193 197 E C 1.943 178.551 176.600 0.012 0.000 0.988 197 E CA 1.610 58.039 56.400 0.048 0.000 0.804 197 E CB 0.152 29.944 29.700 0.154 0.000 0.745 197 E HN 0.380 nan 8.360 nan 0.000 0.458 198 T N -0.273 114.382 114.554 0.167 0.000 2.746 198 T HA -0.133 4.218 4.350 0.001 0.000 0.267 198 T C 1.676 176.434 174.700 0.097 0.000 1.039 198 T CA 1.197 63.436 62.100 0.232 0.000 1.142 198 T CB -0.552 68.460 68.868 0.240 0.000 0.866 198 T HN 0.402 nan 8.240 nan 0.000 0.444 199 G N 1.310 110.129 108.800 0.032 0.000 2.418 199 G HA2 -0.241 3.719 3.960 0.001 0.000 0.217 199 G HA3 -0.241 3.719 3.960 0.001 0.000 0.217 199 G C 1.485 176.361 174.900 -0.041 0.000 1.158 199 G CA 1.090 46.183 45.100 -0.011 0.000 0.771 199 G HN 0.471 nan 8.290 nan 0.000 0.545 200 K N -0.469 119.872 120.400 -0.099 0.000 2.026 200 K HA -0.041 4.280 4.320 0.001 0.000 0.208 200 K C 2.119 178.541 176.600 -0.297 0.000 1.048 200 K CA 1.102 57.261 56.287 -0.214 0.000 0.929 200 K CB -0.306 32.011 32.500 -0.306 0.000 0.713 200 K HN 0.306 nan 8.250 nan 0.000 0.439 201 F N 0.495 120.284 119.950 -0.269 0.000 2.407 201 F HA 0.023 4.551 4.527 0.001 0.000 0.299 201 F C 2.253 178.017 175.800 -0.059 0.000 1.097 201 F CA 1.078 58.938 58.000 -0.234 0.000 1.422 201 F CB -0.430 38.280 39.000 -0.484 0.000 1.067 201 F HN 0.213 nan 8.300 nan 0.000 0.539 202 G N -0.071 108.797 108.800 0.114 0.000 2.421 202 G HA2 -0.194 3.767 3.960 0.001 0.000 0.216 202 G HA3 -0.194 3.767 3.960 0.001 0.000 0.216 202 G C 1.822 176.788 174.900 0.109 0.000 1.171 202 G CA 1.128 46.308 45.100 0.133 0.000 0.775 202 G HN 0.217 nan 8.290 nan 0.000 0.543 203 V N 1.347 121.291 119.914 0.050 0.000 2.287 203 V HA -0.222 3.898 4.120 0.001 0.000 0.248 203 V C 3.133 179.232 176.094 0.008 0.000 1.053 203 V CA 2.310 64.648 62.300 0.064 0.000 1.027 203 V CB -0.765 31.076 31.823 0.031 0.000 0.646 203 V HN 0.370 nan 8.190 nan 0.000 0.447 204 S N 0.297 115.972 115.700 -0.041 0.000 2.370 204 S HA -0.194 4.276 4.470 0.001 0.000 0.226 204 S C 2.223 176.823 174.600 -0.001 0.000 1.033 204 S CA 1.493 59.666 58.200 -0.045 0.000 1.011 204 S CB -0.560 62.606 63.200 -0.058 0.000 0.852 204 S HN 0.673 nan 8.310 nan 0.000 0.457 205 A N 1.549 124.415 122.820 0.077 0.000 1.902 205 A HA -0.044 4.276 4.320 0.001 0.000 0.217 205 A C 2.159 179.761 177.584 0.029 0.000 1.181 205 A CA 1.507 53.612 52.037 0.113 0.000 0.623 205 A CB -0.633 18.491 19.000 0.206 0.000 0.818 205 A HN 0.486 nan 8.150 nan 0.000 0.443 206 M N -0.454 119.130 119.600 -0.027 0.000 2.159 206 M HA -0.109 4.371 4.480 0.001 0.000 0.263 206 M C 2.470 178.428 176.300 -0.570 0.000 1.063 206 M CA 1.372 56.538 55.300 -0.222 0.000 1.110 206 M CB -0.384 32.171 32.600 -0.075 0.000 1.374 206 M HN 0.461 nan 8.290 nan 0.000 0.411 207 A N 0.288 122.694 122.820 -0.690 0.000 1.898 207 A HA -0.125 4.196 4.320 0.001 0.000 0.216 207 A C 2.106 179.470 177.584 -0.367 0.000 1.181 207 A CA 1.256 52.760 52.037 -0.889 0.000 0.620 207 A CB -0.731 18.009 19.000 -0.434 0.000 0.819 207 A HN 0.414 nan 8.150 nan 0.000 0.442 208 L N -0.806 120.308 121.223 -0.181 0.000 2.046 208 L HA -0.100 4.241 4.340 0.001 0.000 0.208 208 L C 2.242 179.094 176.870 -0.031 0.000 1.077 208 L CA 1.844 56.647 54.840 -0.060 0.000 0.747 208 L CB -0.517 41.548 42.059 0.009 0.000 0.896 208 L HN 0.368 nan 8.230 nan 0.000 0.432 209 L N -0.475 120.726 121.223 -0.037 0.000 2.093 209 L HA -0.208 4.133 4.340 0.001 0.000 0.208 209 L C 2.238 179.117 176.870 0.015 0.000 1.085 209 L CA 2.063 56.914 54.840 0.018 0.000 0.755 209 L CB -1.088 40.982 42.059 0.019 0.000 0.904 209 L HN 0.514 nan 8.230 nan 0.000 0.435 210 D N -0.529 119.838 120.400 -0.056 0.000 2.104 210 D HA -0.231 4.410 4.640 0.001 0.000 0.194 210 D C 1.911 178.278 176.300 0.111 0.000 0.994 210 D CA 1.438 55.480 54.000 0.070 0.000 0.830 210 D CB 0.327 41.162 40.800 0.058 0.000 0.959 210 D HN 0.469 nan 8.370 nan 0.000 0.452 211 A N 1.041 123.889 122.820 0.047 0.000 1.902 211 A HA -0.003 4.318 4.320 0.001 0.000 0.217 211 A C 2.433 180.032 177.584 0.026 0.000 1.181 211 A CA 2.193 54.262 52.037 0.053 0.000 0.623 211 A CB -0.739 18.277 19.000 0.026 0.000 0.818 211 A HN 0.370 nan 8.150 nan 0.000 0.443 212 A N 0.183 123.020 122.820 0.028 0.000 1.873 212 A HA -0.176 4.145 4.320 0.001 0.000 0.215 212 A C 1.994 179.581 177.584 0.006 0.000 1.186 212 A CA 1.749 53.797 52.037 0.018 0.000 0.616 212 A CB -0.600 18.434 19.000 0.057 0.000 0.823 212 A HN 0.525 nan 8.150 nan 0.000 0.442 213 N N -0.088 118.660 118.700 0.079 0.000 2.058 213 N HA -0.134 4.606 4.740 0.001 0.000 0.191 213 N C 2.060 177.663 175.510 0.154 0.000 1.037 213 N CA 2.421 55.554 53.050 0.138 0.000 0.848 213 N CB -0.832 37.797 38.487 0.236 0.000 1.021 213 N HN 0.696 nan 8.380 nan 0.000 0.422 214 T N -2.415 112.222 114.554 0.139 0.000 2.904 214 T HA 0.018 4.369 4.350 0.001 0.000 0.267 214 T C 2.049 176.654 174.700 -0.158 0.000 1.059 214 T CA 1.230 63.319 62.100 -0.018 0.000 1.137 214 T CB -0.745 67.946 68.868 -0.296 0.000 0.879 214 T HN 0.171 nan 8.240 nan 0.000 0.467 215 G N 0.968 109.696 108.800 -0.119 0.000 2.422 215 G HA2 -0.093 3.867 3.960 0.001 0.000 0.218 215 G HA3 -0.093 3.867 3.960 0.001 0.000 0.218 215 G C 1.599 176.390 174.900 -0.182 0.000 1.140 215 G CA 1.274 46.299 45.100 -0.126 0.000 0.775 215 G HN 0.556 nan 8.290 nan 0.000 0.545 216 T N -0.566 113.813 114.554 -0.292 0.000 2.939 216 T HA 0.065 4.416 4.350 0.001 0.000 0.254 216 T C 1.451 175.759 174.700 -0.654 0.000 1.041 216 T CA 0.692 62.451 62.100 -0.568 0.000 1.142 216 T CB -0.082 68.233 68.868 -0.921 0.000 0.874 216 T HN 0.335 nan 8.240 nan 0.000 0.452 217 Y N 0.924 121.151 120.300 -0.120 0.000 2.500 217 Y HA 0.519 5.069 4.550 0.001 0.000 0.246 217 Y C 1.311 177.200 175.900 -0.018 0.000 1.146 217 Y CA -0.585 57.391 58.100 -0.207 0.000 1.230 217 Y CB 0.194 38.354 38.460 -0.500 0.000 1.214 217 Y HN 0.337 nan 8.280 nan 0.000 0.526 218 G N 0.036 108.882 108.800 0.077 0.000 2.707 218 G HA2 -0.218 3.743 3.960 0.001 0.000 0.686 218 G HA3 -0.218 3.743 3.960 0.001 0.000 0.686 218 G C -1.137 173.767 174.900 0.006 0.000 1.315 218 G CA -1.076 44.042 45.100 0.031 0.000 0.832 218 G HN 0.406 nan 8.290 nan 0.000 0.573 219 H N 1.441 120.524 119.070 0.022 0.000 2.722 219 H HA 0.428 4.984 4.556 0.001 0.000 0.328 219 H C -1.714 173.500 175.328 -0.189 0.000 1.067 219 H CA -0.370 55.624 56.048 -0.089 0.000 1.447 219 H CB 0.812 30.509 29.762 -0.108 0.000 1.469 219 H HN 0.388 nan 8.280 nan 0.000 0.544 220 P HA -0.072 nan 4.420 nan 0.000 0.266 220 P C -0.607 176.585 177.300 -0.180 0.000 1.193 220 P CA 0.342 63.255 63.100 -0.312 0.000 0.770 220 P CB 0.561 32.048 31.700 -0.355 0.000 0.836 221 E N 1.707 121.807 120.200 -0.166 0.000 2.416 221 E HA 0.451 4.802 4.350 0.001 0.000 0.273 221 E C -0.683 175.729 176.600 -0.314 0.000 0.935 221 E CA -1.056 55.219 56.400 -0.208 0.000 0.784 221 E CB 1.073 30.708 29.700 -0.108 0.000 1.301 221 E HN 0.165 nan 8.360 nan 0.000 0.454 222 I N 1.536 121.854 120.570 -0.420 0.000 2.741 222 I HA 0.027 4.197 4.170 0.001 0.000 0.288 222 I C -0.341 175.630 176.117 -0.242 0.000 1.192 222 I CA 1.047 62.044 61.300 -0.505 0.000 1.426 222 I CB 0.178 37.895 38.000 -0.471 0.000 1.367 222 I HN 0.492 nan 8.210 nan 0.000 0.563 223 T N 5.890 120.322 114.554 -0.203 0.000 2.993 223 T HA 0.320 4.671 4.350 0.001 0.000 0.312 223 T C -0.688 174.022 174.700 0.017 0.000 1.115 223 T CA -1.043 61.046 62.100 -0.018 0.000 1.027 223 T CB 1.673 70.639 68.868 0.165 0.000 1.116 223 T HN 0.385 nan 8.240 nan 0.000 0.464 224 K N 1.937 122.354 120.400 0.028 0.000 2.211 224 K HA 0.651 4.971 4.320 0.001 0.000 0.275 224 K C -0.839 175.763 176.600 0.002 0.000 1.024 224 K CA -0.703 55.598 56.287 0.024 0.000 0.887 224 K CB 1.492 33.999 32.500 0.012 0.000 1.084 224 K HN 0.264 nan 8.250 nan 0.000 0.463 225 V N 3.129 123.029 119.914 -0.025 0.000 2.417 225 V HA 0.125 4.246 4.120 0.001 0.000 0.291 225 V C -0.032 175.979 176.094 -0.139 0.000 1.024 225 V CA -1.108 61.090 62.300 -0.169 0.000 0.861 225 V CB 1.312 32.978 31.823 -0.260 0.000 0.985 225 V HN 0.701 nan 8.190 nan 0.000 0.436 226 N N 3.797 122.405 118.700 -0.153 0.000 2.483 226 N HA 0.163 4.903 4.740 0.001 0.000 0.264 226 N C 0.655 176.136 175.510 -0.048 0.000 1.197 226 N CA -0.051 52.955 53.050 -0.073 0.000 0.927 226 N CB 0.838 39.293 38.487 -0.053 0.000 1.065 226 N HN 0.754 nan 8.380 nan 0.000 0.461 227 I N -0.087 120.483 120.570 0.001 0.000 4.018 227 I HA 0.485 4.656 4.170 0.001 0.000 0.337 227 I C 0.921 177.081 176.117 0.071 0.000 1.327 227 I CA -0.592 60.727 61.300 0.031 0.000 1.100 227 I CB 0.135 38.138 38.000 0.004 0.000 1.025 227 I HN 0.313 nan 8.210 nan 0.000 0.396 228 G N 1.786 110.635 108.800 0.081 0.000 2.563 228 G HA2 0.533 4.494 3.960 0.001 0.000 0.283 228 G HA3 0.533 4.494 3.960 0.001 0.000 0.283 228 G C -0.286 174.742 174.900 0.214 0.000 1.309 228 G CA 0.180 45.346 45.100 0.111 0.000 1.022 228 G HN 0.263 nan 8.290 nan 0.000 0.501 229 V N -2.960 117.079 119.914 0.208 0.000 3.074 229 V HA 0.969 5.090 4.120 0.001 0.000 0.314 229 V C 0.597 176.815 176.094 0.205 0.000 1.117 229 V CA -0.149 62.331 62.300 0.300 0.000 1.014 229 V CB 1.333 33.274 31.823 0.196 0.000 1.057 229 V HN 1.130 nan 8.190 nan 0.000 0.438 230 G N 0.494 109.452 108.800 0.263 0.000 2.583 230 G HA2 0.506 4.467 3.960 0.001 0.000 0.280 230 G HA3 0.506 4.467 3.960 0.001 0.000 0.280 230 G C 0.596 175.556 174.900 0.100 0.000 1.376 230 G CA 0.043 45.233 45.100 0.150 0.000 1.043 230 G HN 1.629 nan 8.290 nan 0.000 0.538 231 S N -1.119 114.620 115.700 0.064 0.000 2.559 231 S HA 0.212 4.682 4.470 0.001 0.000 0.226 231 S C 0.384 174.993 174.600 0.014 0.000 1.000 231 S CA -0.533 57.682 58.200 0.025 0.000 0.948 231 S CB -0.010 63.201 63.200 0.019 0.000 0.870 231 S HN 0.345 nan 8.310 nan 0.000 0.497 232 N N 3.152 121.876 118.700 0.039 0.000 2.508 232 N HA 0.488 5.228 4.740 0.001 0.000 0.285 232 N C -3.042 172.469 175.510 0.002 0.000 1.144 232 N CA -1.700 51.367 53.050 0.027 0.000 0.978 232 N CB 0.403 38.922 38.487 0.054 0.000 1.180 232 N HN 0.101 nan 8.380 nan 0.000 0.484 233 P HA 0.162 nan 4.420 nan 0.000 0.267 233 P C -0.121 177.175 177.300 -0.007 0.000 1.200 233 P CA -0.029 63.027 63.100 -0.074 0.000 0.772 233 P CB 0.495 32.165 31.700 -0.050 0.000 0.855 234 G N 1.150 109.918 108.800 -0.053 0.000 2.680 234 G HA2 0.725 4.685 3.960 0.001 0.000 0.290 234 G HA3 0.725 4.685 3.960 0.001 0.000 0.290 234 G C -1.499 173.555 174.900 0.257 0.000 1.355 234 G CA -0.741 44.473 45.100 0.191 0.000 0.903 234 G HN 0.380 nan 8.290 nan 0.000 0.474 235 I N 0.296 121.031 120.570 0.275 0.000 2.433 235 I HA 0.319 4.490 4.170 0.001 0.000 0.292 235 I C -0.950 175.132 176.117 -0.059 0.000 1.001 235 I CA -0.773 60.573 61.300 0.078 0.000 1.119 235 I CB 2.139 40.068 38.000 -0.120 0.000 1.289 235 I HN 0.219 nan 8.210 nan 0.000 0.438 236 L N 8.004 128.917 121.223 -0.516 0.000 2.262 236 L HA 0.514 4.854 4.340 0.001 0.000 0.288 236 L C -0.601 175.990 176.870 -0.464 0.000 1.035 236 L CA 0.010 54.371 54.840 -0.797 0.000 0.820 236 L CB 0.912 41.990 42.059 -1.635 0.000 1.204 236 L HN 0.484 nan 8.230 nan 0.000 0.424 237 I N 4.072 124.482 120.570 -0.266 0.000 2.353 237 I HA 0.458 4.628 4.170 0.001 0.000 0.293 237 I C -0.137 175.933 176.117 -0.078 0.000 0.992 237 I CA 0.197 61.374 61.300 -0.205 0.000 1.268 237 I CB 1.283 39.141 38.000 -0.237 0.000 1.387 237 I HN 0.725 nan 8.210 nan 0.000 0.478 238 S N 4.180 119.866 115.700 -0.023 0.000 2.671 238 S HA 0.957 5.428 4.470 0.001 0.000 0.299 238 S C -0.075 174.601 174.600 0.127 0.000 1.116 238 S CA 0.350 58.641 58.200 0.153 0.000 0.912 238 S CB 1.469 64.867 63.200 0.331 0.000 1.130 238 S HN 1.260 nan 8.310 nan 0.000 0.501 239 G N 1.704 110.595 108.800 0.152 0.000 2.481 239 G HA2 -0.140 3.821 3.960 0.001 0.000 0.230 239 G HA3 -0.140 3.821 3.960 0.001 0.000 0.230 239 G C -0.260 174.631 174.900 -0.015 0.000 1.210 239 G CA 0.574 45.784 45.100 0.184 0.000 0.936 239 G HN 0.898 nan 8.290 nan 0.000 0.583 240 H N 0.059 119.208 119.070 0.131 0.000 3.440 240 H HA 0.350 4.907 4.556 0.001 0.000 0.259 240 H C 0.250 175.513 175.328 -0.109 0.000 1.120 240 H CA 0.297 56.352 56.048 0.012 0.000 1.191 240 H CB 0.616 30.361 29.762 -0.028 0.000 1.537 240 H HN 0.479 nan 8.280 nan 0.000 0.547 241 D N 1.125 121.606 120.400 0.135 0.000 2.336 241 D HA 0.079 4.720 4.640 0.001 0.000 0.249 241 D C 0.974 177.283 176.300 0.015 0.000 1.213 241 D CA -0.011 54.074 54.000 0.143 0.000 0.870 241 D CB 0.737 41.718 40.800 0.302 0.000 1.076 241 D HN 0.181 nan 8.370 nan 0.000 0.483 242 L N 3.158 124.376 121.223 -0.009 0.000 2.217 242 L HA -0.033 4.307 4.340 0.001 0.000 0.211 242 L C 2.285 179.098 176.870 -0.095 0.000 1.107 242 L CA 0.416 55.162 54.840 -0.156 0.000 0.783 242 L CB -0.274 41.688 42.059 -0.161 0.000 0.919 242 L HN 0.387 nan 8.230 nan 0.000 0.442 243 R N 0.711 121.294 120.500 0.138 0.000 2.092 243 R HA -0.145 4.196 4.340 0.001 0.000 0.231 243 R C 1.736 178.091 176.300 0.093 0.000 1.119 243 R CA 1.516 57.741 56.100 0.209 0.000 0.970 243 R CB -0.455 29.988 30.300 0.239 0.000 0.864 243 R HN 0.220 nan 8.270 nan 0.000 0.440 244 D N 0.249 120.686 120.400 0.063 0.000 2.123 244 D HA -0.171 4.469 4.640 0.001 0.000 0.196 244 D C 1.795 178.027 176.300 -0.114 0.000 0.992 244 D CA 1.319 55.361 54.000 0.070 0.000 0.833 244 D CB -0.268 40.576 40.800 0.074 0.000 0.954 244 D HN 0.210 nan 8.370 nan 0.000 0.455 245 L N 1.345 122.392 121.223 -0.293 0.000 2.017 245 L HA -0.152 4.189 4.340 0.001 0.000 0.208 245 L C 2.143 178.676 176.870 -0.561 0.000 1.073 245 L CA 1.850 56.347 54.840 -0.572 0.000 0.745 245 L CB -0.563 40.967 42.059 -0.881 0.000 0.894 245 L HN -0.007 nan 8.230 nan 0.000 0.432 246 E N -0.672 119.323 120.200 -0.342 0.000 2.070 246 E HA -0.293 4.058 4.350 0.001 0.000 0.197 246 E C 2.148 178.706 176.600 -0.070 0.000 1.004 246 E CA 2.100 58.456 56.400 -0.074 0.000 0.805 246 E CB -0.228 29.611 29.700 0.232 0.000 0.744 246 E HN 0.593 nan 8.360 nan 0.000 0.451 247 M N 0.061 119.676 119.600 0.025 0.000 2.117 247 M HA -0.149 4.331 4.480 0.001 0.000 0.262 247 M C 2.478 178.836 176.300 0.096 0.000 1.065 247 M CA 0.830 56.203 55.300 0.122 0.000 1.114 247 M CB -0.195 32.532 32.600 0.211 0.000 1.361 247 M HN 0.219 nan 8.290 nan 0.000 0.408 248 L N 0.678 121.833 121.223 -0.113 0.000 2.046 248 L HA -0.137 4.204 4.340 0.001 0.000 0.208 248 L C 2.070 178.769 176.870 -0.285 0.000 1.077 248 L CA 1.732 56.335 54.840 -0.395 0.000 0.747 248 L CB -0.503 41.081 42.059 -0.792 0.000 0.896 248 L HN 0.227 nan 8.230 nan 0.000 0.432 249 L N -0.754 120.217 121.223 -0.420 0.000 2.046 249 L HA -0.239 4.101 4.340 0.001 0.000 0.208 249 L C 2.594 179.335 176.870 -0.214 0.000 1.077 249 L CA 1.513 56.044 54.840 -0.516 0.000 0.747 249 L CB -0.538 40.801 42.059 -1.201 0.000 0.896 249 L HN 0.238 nan 8.230 nan 0.000 0.432 250 K N -0.373 119.938 120.400 -0.149 0.000 2.097 250 K HA -0.200 4.121 4.320 0.001 0.000 0.206 250 K C 2.116 178.771 176.600 0.091 0.000 1.049 250 K CA 1.325 57.656 56.287 0.072 0.000 0.933 250 K CB -0.084 32.489 32.500 0.121 0.000 0.717 250 K HN 0.398 nan 8.250 nan 0.000 0.442 251 Q N -0.307 119.538 119.800 0.075 0.000 2.311 251 Q HA -0.061 4.280 4.340 0.001 0.000 0.203 251 Q C 1.728 177.749 176.000 0.035 0.000 0.954 251 Q CA 1.487 57.342 55.803 0.086 0.000 0.885 251 Q CB 0.253 29.082 28.738 0.151 0.000 0.963 251 Q HN 0.425 nan 8.270 nan 0.000 0.471 252 T N -2.232 112.331 114.554 0.015 0.000 3.081 252 T HA -0.010 4.341 4.350 0.001 0.000 0.255 252 T C 0.608 175.162 174.700 -0.243 0.000 1.113 252 T CA -0.095 61.981 62.100 -0.041 0.000 1.082 252 T CB 0.056 68.947 68.868 0.039 0.000 0.939 252 T HN -0.003 nan 8.240 nan 0.000 0.506 253 E N 1.716 121.802 120.200 -0.190 0.000 2.585 253 E HA 0.349 4.700 4.350 0.001 0.000 0.252 253 E C 1.383 177.879 176.600 -0.173 0.000 0.981 253 E CA 1.027 57.266 56.400 -0.269 0.000 0.943 253 E CB -0.600 29.127 29.700 0.045 0.000 0.923 253 E HN 0.458 nan 8.360 nan 0.000 0.486 254 G N 3.052 111.732 108.800 -0.201 0.000 2.179 254 G HA2 -0.345 3.615 3.960 0.001 0.000 0.260 254 G HA3 -0.345 3.615 3.960 0.001 0.000 0.260 254 G C 0.919 175.770 174.900 -0.082 0.000 0.977 254 G CA 0.983 46.025 45.100 -0.097 0.000 0.641 254 G HN 0.818 nan 8.290 nan 0.000 0.533 255 T N -2.625 111.863 114.554 -0.110 0.000 3.044 255 T HA 0.440 4.791 4.350 0.001 0.000 0.250 255 T C 2.410 177.083 174.700 -0.045 0.000 1.081 255 T CA 1.624 63.687 62.100 -0.061 0.000 1.040 255 T CB 0.381 69.218 68.868 -0.051 0.000 0.962 255 T HN 2.166 nan 8.240 nan 0.000 0.506 256 G N 0.739 109.506 108.800 -0.055 0.000 2.179 256 G HA2 -0.216 3.744 3.960 0.001 0.000 0.260 256 G HA3 -0.216 3.744 3.960 0.001 0.000 0.260 256 G C 0.014 174.914 174.900 -0.000 0.000 0.977 256 G CA 0.030 45.118 45.100 -0.021 0.000 0.641 256 G HN 0.738 nan 8.290 nan 0.000 0.533 257 V N 1.642 121.553 119.914 -0.005 0.000 2.370 257 V HA 0.486 4.607 4.120 0.001 0.000 0.279 257 V C -0.070 176.081 176.094 0.096 0.000 1.029 257 V CA -0.959 61.361 62.300 0.033 0.000 0.870 257 V CB 1.632 33.462 31.823 0.011 0.000 0.984 257 V HN 0.228 nan 8.190 nan 0.000 0.451 258 D N 2.838 123.323 120.400 0.141 0.000 2.312 258 D HA 0.519 5.159 4.640 0.001 0.000 0.248 258 D C -0.393 176.019 176.300 0.187 0.000 1.086 258 D CA -0.086 54.018 54.000 0.174 0.000 0.948 258 D CB 2.136 43.020 40.800 0.140 0.000 1.162 258 D HN 0.262 nan 8.370 nan 0.000 0.446 259 V N 1.845 121.817 119.914 0.097 0.000 2.540 259 V HA 0.347 4.468 4.120 0.001 0.000 0.302 259 V C -0.951 175.194 176.094 0.085 0.000 1.035 259 V CA -0.682 61.679 62.300 0.101 0.000 0.873 259 V CB 0.960 32.752 31.823 -0.051 0.000 0.992 259 V HN 0.387 nan 8.190 nan 0.000 0.428 260 Y N 1.500 121.856 120.300 0.093 0.000 2.524 260 Y HA 0.668 5.218 4.550 0.001 0.000 0.344 260 Y C 0.765 176.688 175.900 0.037 0.000 1.012 260 Y CA -0.778 57.377 58.100 0.091 0.000 1.068 260 Y CB 2.252 40.771 38.460 0.097 0.000 1.249 260 Y HN 0.719 nan 8.280 nan 0.000 0.468 261 T N -1.400 113.320 114.554 0.278 0.000 2.944 261 T HA 0.438 4.789 4.350 0.001 0.000 0.284 261 T C -1.095 173.740 174.700 0.225 0.000 1.010 261 T CA -0.625 61.592 62.100 0.194 0.000 1.025 261 T CB 1.697 70.690 68.868 0.208 0.000 1.079 261 T HN 0.791 nan 8.240 nan 0.000 0.516 262 H N 0.295 119.398 119.070 0.054 0.000 2.865 262 H HA 0.411 4.968 4.556 0.001 0.000 0.362 262 H C 0.565 175.928 175.328 0.059 0.000 1.114 262 H CA 0.353 56.437 56.048 0.060 0.000 1.208 262 H CB 2.062 31.870 29.762 0.077 0.000 1.727 262 H HN 0.944 nan 8.280 nan 0.000 0.534 263 S N 2.602 117.966 115.700 -0.560 0.000 4.155 263 S HA -0.280 4.191 4.470 0.001 0.000 0.542 263 S C 1.219 175.827 174.600 0.013 0.000 1.863 263 S CA 1.853 59.813 58.200 -0.401 0.000 4.239 263 S CB -1.192 61.683 63.200 -0.541 0.000 0.331 263 S HN 0.870 nan 8.310 nan 0.000 0.461 264 E N 0.691 120.847 120.200 -0.073 0.000 2.502 264 E HA 0.105 4.455 4.350 0.001 0.000 0.194 264 E C 1.363 177.876 176.600 -0.146 0.000 1.062 264 E CA 0.224 56.521 56.400 -0.171 0.000 0.867 264 E CB -0.072 29.240 29.700 -0.646 0.000 0.888 264 E HN 0.493 nan 8.360 nan 0.000 0.510 265 M N -0.024 119.539 119.600 -0.062 0.000 2.502 265 M HA 0.019 4.499 4.480 0.001 0.000 0.243 265 M C 1.950 178.250 176.300 0.000 0.000 1.130 265 M CA 0.106 55.380 55.300 -0.043 0.000 1.055 265 M CB -0.602 31.975 32.600 -0.038 0.000 1.457 265 M HN 0.114 nan 8.290 nan 0.000 0.488 266 L N 2.537 123.787 121.223 0.045 0.000 2.034 266 L HA -0.130 4.211 4.340 0.001 0.000 0.217 266 L C -0.968 175.803 176.870 -0.164 0.000 1.077 266 L CA 2.539 57.410 54.840 0.052 0.000 0.769 266 L CB -1.964 40.130 42.059 0.059 0.000 0.890 266 L HN 0.104 nan 8.230 nan 0.000 0.435 267 P HA -0.071 nan 4.420 nan 0.000 0.225 267 P C 1.496 178.727 177.300 -0.115 0.000 1.148 267 P CA 1.445 64.242 63.100 -0.507 0.000 0.779 267 P CB -0.273 31.438 31.700 0.017 0.000 0.780 268 A N -0.502 122.329 122.820 0.018 0.000 1.986 268 A HA -0.267 4.054 4.320 0.001 0.000 0.220 268 A C 1.772 179.543 177.584 0.311 0.000 1.171 268 A CA 1.725 53.849 52.037 0.145 0.000 0.640 268 A CB -1.786 17.084 19.000 -0.217 0.000 0.811 268 A HN 0.270 nan 8.150 nan 0.000 0.451 269 H N -2.353 116.791 119.070 0.123 0.000 2.489 269 H HA -0.117 4.440 4.556 0.001 0.000 0.293 269 H C 1.286 176.790 175.328 0.294 0.000 1.066 269 H CA 1.786 57.922 56.048 0.146 0.000 1.305 269 H CB -0.139 29.558 29.762 -0.109 0.000 1.386 269 H HN 0.650 nan 8.280 nan 0.000 0.551 270 Y N -1.321 119.168 120.300 0.315 0.000 2.544 270 Y HA 0.022 4.573 4.550 0.001 0.000 0.286 270 Y C 0.032 175.959 175.900 0.046 0.000 1.141 270 Y CA -0.536 57.627 58.100 0.105 0.000 1.299 270 Y CB -0.780 37.662 38.460 -0.031 0.000 1.030 270 Y HN 0.133 nan 8.280 nan 0.000 0.543 271 Y N 1.345 121.829 120.300 0.308 0.000 2.316 271 Y HA 0.214 4.765 4.550 0.001 0.000 0.331 271 Y C -1.236 174.724 175.900 0.101 0.000 1.083 271 Y CA -2.611 55.597 58.100 0.179 0.000 1.206 271 Y CB 0.634 39.178 38.460 0.140 0.000 1.195 271 Y HN -0.107 nan 8.280 nan 0.000 0.497 272 P HA -0.287 nan 4.420 nan 0.000 0.216 272 P C 1.180 178.509 177.300 0.048 0.000 1.153 272 P CA 2.432 65.591 63.100 0.099 0.000 0.858 272 P CB 0.198 31.936 31.700 0.063 0.000 0.789 273 A N -1.790 120.999 122.820 -0.051 0.000 2.070 273 A HA -0.153 4.168 4.320 0.001 0.000 0.220 273 A C 1.521 179.020 177.584 -0.142 0.000 1.159 273 A CA 1.361 53.298 52.037 -0.167 0.000 0.656 273 A CB -1.512 17.342 19.000 -0.243 0.000 0.800 273 A HN 0.126 nan 8.150 nan 0.000 0.453 274 F N -0.349 119.719 119.950 0.197 0.000 2.776 274 F HA 0.195 4.722 4.527 0.001 0.000 0.300 274 F C 1.869 177.864 175.800 0.325 0.000 1.116 274 F CA 0.159 58.293 58.000 0.222 0.000 1.375 274 F CB 0.004 39.007 39.000 0.004 0.000 1.109 274 F HN 0.121 nan 8.300 nan 0.000 0.585 275 K N 0.988 121.585 120.400 0.328 0.000 2.288 275 K HA -0.113 4.207 4.320 0.001 0.000 0.201 275 K C 1.876 178.555 176.600 0.133 0.000 1.048 275 K CA 0.845 57.278 56.287 0.243 0.000 0.956 275 K CB -0.115 32.482 32.500 0.162 0.000 0.746 275 K HN 0.358 nan 8.250 nan 0.000 0.461 276 K N -0.003 120.395 120.400 -0.004 0.000 2.439 276 K HA -0.069 4.252 4.320 0.001 0.000 0.197 276 K C -0.245 176.234 176.600 -0.201 0.000 1.041 276 K CA 0.616 56.806 56.287 -0.162 0.000 0.970 276 K CB -0.058 32.246 32.500 -0.326 0.000 0.773 276 K HN -0.023 nan 8.250 nan 0.000 0.479 277 Y N 1.071 121.432 120.300 0.101 0.000 2.425 277 Y HA 0.324 4.875 4.550 0.001 0.000 0.347 277 Y C 1.330 177.273 175.900 0.072 0.000 0.976 277 Y CA -0.666 57.468 58.100 0.056 0.000 1.190 277 Y CB 1.401 39.773 38.460 -0.146 0.000 1.136 277 Y HN 0.044 nan 8.280 nan 0.000 0.517 278 A N 2.383 125.358 122.820 0.258 0.000 2.019 278 A HA -0.190 4.131 4.320 0.001 0.000 0.219 278 A C 1.769 179.476 177.584 0.205 0.000 1.164 278 A CA 1.643 53.799 52.037 0.198 0.000 0.644 278 A CB -0.741 18.360 19.000 0.168 0.000 0.805 278 A HN 0.912 nan 8.150 nan 0.000 0.449 279 H N -3.188 115.972 119.070 0.149 0.000 2.539 279 H HA 0.136 4.693 4.556 0.001 0.000 0.267 279 H C -0.225 175.169 175.328 0.111 0.000 0.982 279 H CA -0.542 55.561 56.048 0.091 0.000 1.146 279 H CB -0.546 29.256 29.762 0.067 0.000 1.382 279 H HN 0.293 nan 8.280 nan 0.000 0.577 280 F N 3.733 123.503 119.950 -0.299 0.000 2.404 280 F HA 0.260 4.788 4.527 0.001 0.000 0.359 280 F C 0.247 175.952 175.800 -0.158 0.000 1.134 280 F CA -1.449 56.381 58.000 -0.283 0.000 1.160 280 F CB 0.552 39.410 39.000 -0.237 0.000 1.186 280 F HN -0.138 nan 8.300 nan 0.000 0.526 281 K N 3.569 123.773 120.400 -0.327 0.000 3.336 281 K HA 0.511 4.832 4.320 0.001 0.000 0.260 281 K C 0.811 177.170 176.600 -0.402 0.000 1.053 281 K CA -0.022 55.988 56.287 -0.462 0.000 1.662 281 K CB -0.709 31.262 32.500 -0.883 0.000 2.392 281 K HN 0.619 nan 8.250 nan 0.000 0.748 282 G N 0.212 108.815 108.800 -0.329 0.000 2.702 282 G HA2 0.219 4.180 3.960 0.001 0.000 0.254 282 G HA3 0.219 4.180 3.960 0.001 0.000 0.254 282 G C -0.839 174.066 174.900 0.008 0.000 1.380 282 G CA -0.309 44.680 45.100 -0.185 0.000 1.042 282 G HN 0.410 nan 8.290 nan 0.000 0.557 283 N N -1.597 117.092 118.700 -0.019 0.000 2.408 283 N HA 0.401 5.142 4.740 0.001 0.000 0.280 283 N C -1.769 173.885 175.510 0.241 0.000 1.002 283 N CA -0.574 52.563 53.050 0.145 0.000 0.907 283 N CB 1.235 39.747 38.487 0.041 0.000 1.161 283 N HN 0.387 nan 8.380 nan 0.000 0.488 284 Y N 4.240 124.636 120.300 0.159 0.000 2.331 284 Y HA 0.559 5.110 4.550 0.001 0.000 0.338 284 Y C 0.833 176.775 175.900 0.071 0.000 0.976 284 Y CA 0.764 58.934 58.100 0.116 0.000 1.137 284 Y CB 0.588 39.105 38.460 0.095 0.000 1.172 284 Y HN 0.862 nan 8.280 nan 0.000 0.478 285 G N 4.921 113.492 108.800 -0.382 0.000 2.542 285 G HA2 -0.256 3.705 3.960 0.001 0.000 0.235 285 G HA3 -0.256 3.705 3.960 0.001 0.000 0.235 285 G C -0.601 174.095 174.900 -0.340 0.000 1.286 285 G CA 0.022 44.902 45.100 -0.367 0.000 0.904 285 G HN 0.718 nan 8.290 nan 0.000 0.577 286 N N -0.541 117.828 118.700 -0.552 0.000 3.567 286 N HA 0.650 5.391 4.740 0.001 0.000 0.347 286 N C 0.637 175.262 175.510 -1.475 0.000 1.553 286 N CA 0.066 52.523 53.050 -0.988 0.000 0.636 286 N CB 0.383 38.478 38.487 -0.653 0.000 2.483 286 N HN 1.325 nan 8.380 nan 0.000 0.608 287 A N 0.826 122.834 122.820 -1.355 0.000 2.346 287 A HA 0.134 4.454 4.320 0.001 0.000 0.252 287 A C 1.386 178.501 177.584 -0.781 0.000 1.089 287 A CA -0.416 51.066 52.037 -0.926 0.000 0.797 287 A CB -0.445 18.307 19.000 -0.414 0.000 1.047 287 A HN 0.829 nan 8.150 nan 0.000 0.494 288 W N 0.805 121.889 121.300 -0.361 0.000 2.308 288 W HA -0.241 4.420 4.660 0.001 0.000 0.301 288 W C 1.572 177.976 176.519 -0.192 0.000 1.220 288 W CA 1.724 58.976 57.345 -0.154 0.000 1.240 288 W CB -1.070 28.409 29.460 0.032 0.000 1.142 288 W HN 0.883 nan 8.180 nan 0.000 0.521 289 W N 1.641 122.221 121.300 -1.201 0.000 2.699 289 W HA 0.135 4.796 4.660 0.001 0.000 0.249 289 W C 0.984 177.165 176.519 -0.563 0.000 1.280 289 W CA 0.563 57.195 57.345 -1.188 0.000 1.345 289 W CB -1.208 27.180 29.460 -1.786 0.000 1.128 289 W HN -0.030 nan 8.180 nan 0.000 0.642 290 K N 1.549 121.316 120.400 -1.054 0.000 2.437 290 K HA -0.049 4.272 4.320 0.001 0.000 0.198 290 K C 2.130 178.416 176.600 -0.524 0.000 1.024 290 K CA 0.382 56.185 56.287 -0.807 0.000 1.148 290 K CB 0.039 31.946 32.500 -0.989 0.000 0.860 290 K HN 0.352 nan 8.250 nan 0.000 0.515 291 Q N 0.685 120.164 119.800 -0.534 0.000 2.297 291 Q HA -0.094 4.247 4.340 0.001 0.000 0.204 291 Q C 1.180 176.789 176.000 -0.652 0.000 0.962 291 Q CA 1.011 56.289 55.803 -0.875 0.000 0.879 291 Q CB -0.055 27.771 28.738 -1.520 0.000 0.947 291 Q HN 0.112 nan 8.270 nan 0.000 0.462 292 K N 0.502 120.730 120.400 -0.287 0.000 2.147 292 K HA -0.154 4.167 4.320 0.001 0.000 0.205 292 K C 1.631 178.192 176.600 -0.065 0.000 1.049 292 K CA 1.672 57.940 56.287 -0.032 0.000 0.936 292 K CB 0.144 32.678 32.500 0.057 0.000 0.722 292 K HN 0.262 nan 8.250 nan 0.000 0.446 293 E N 0.662 120.775 120.200 -0.145 0.000 2.086 293 E HA -0.068 4.283 4.350 0.001 0.000 0.190 293 E C 1.700 178.230 176.600 -0.117 0.000 0.975 293 E CA 0.932 57.267 56.400 -0.107 0.000 0.813 293 E CB 0.128 29.755 29.700 -0.121 0.000 0.768 293 E HN 0.277 nan 8.360 nan 0.000 0.457 294 E N -0.289 119.803 120.200 -0.181 0.000 2.112 294 E HA -0.059 4.291 4.350 0.001 0.000 0.190 294 E C 1.495 178.171 176.600 0.125 0.000 0.979 294 E CA 0.406 56.788 56.400 -0.029 0.000 0.814 294 E CB -0.059 29.577 29.700 -0.106 0.000 0.762 294 E HN 0.160 nan 8.360 nan 0.000 0.460 295 F N 1.599 121.339 119.950 -0.350 0.000 2.171 295 F HA -0.121 4.407 4.527 0.001 0.000 0.300 295 F C 2.434 177.947 175.800 -0.478 0.000 1.090 295 F CA 1.235 58.915 58.000 -0.533 0.000 1.293 295 F CB -0.832 37.602 39.000 -0.943 0.000 1.013 295 F HN 0.050 nan 8.300 nan 0.000 0.486 296 E N 0.855 120.886 120.200 -0.281 0.000 2.031 296 E HA -0.188 4.163 4.350 0.001 0.000 0.193 296 E C 2.185 178.791 176.600 0.011 0.000 0.994 296 E CA 2.126 58.486 56.400 -0.067 0.000 0.800 296 E CB -0.349 29.385 29.700 0.057 0.000 0.752 296 E HN 0.223 nan 8.360 nan 0.000 0.447 297 S N -0.714 115.016 115.700 0.050 0.000 2.481 297 S HA -0.090 4.380 4.470 0.001 0.000 0.231 297 S C 1.873 176.494 174.600 0.035 0.000 0.996 297 S CA 0.504 58.749 58.200 0.074 0.000 0.942 297 S CB -0.590 62.681 63.200 0.120 0.000 0.768 297 S HN 0.382 nan 8.310 nan 0.000 0.520 298 F N 3.040 122.893 119.950 -0.162 0.000 2.293 298 F HA -0.009 4.518 4.527 0.001 0.000 0.300 298 F C 1.023 176.594 175.800 -0.381 0.000 1.086 298 F CA 1.205 58.883 58.000 -0.537 0.000 1.375 298 F CB -0.687 37.934 39.000 -0.632 0.000 1.045 298 F HN 0.347 nan 8.300 nan 0.000 0.516 299 N N -2.020 116.521 118.700 -0.265 0.000 2.805 299 N HA -0.221 4.520 4.740 0.001 0.000 0.216 299 N C 0.815 176.194 175.510 -0.219 0.000 0.930 299 N CA 0.745 53.653 53.050 -0.237 0.000 1.376 299 N CB -1.656 36.662 38.487 -0.282 0.000 0.939 299 N HN 0.499 nan 8.380 nan 0.000 0.583 300 G N 0.670 109.273 108.800 -0.328 0.000 2.535 300 G HA2 0.598 4.558 3.960 0.001 0.000 0.303 300 G HA3 0.598 4.558 3.960 0.001 0.000 0.303 300 G C -2.705 172.211 174.900 0.027 0.000 1.237 300 G CA -0.832 44.185 45.100 -0.138 0.000 0.986 300 G HN -0.088 nan 8.290 nan 0.000 0.494 301 P HA 0.267 nan 4.420 nan 0.000 0.269 301 P C -0.612 176.589 177.300 -0.165 0.000 1.215 301 P CA -0.236 62.779 63.100 -0.142 0.000 0.780 301 P CB 1.102 32.646 31.700 -0.259 0.000 0.898 302 V N 3.481 123.258 119.914 -0.227 0.000 2.487 302 V HA 0.364 4.485 4.120 0.001 0.000 0.298 302 V C -0.317 175.613 176.094 -0.272 0.000 1.028 302 V CA -0.620 61.390 62.300 -0.484 0.000 0.860 302 V CB 1.635 32.884 31.823 -0.956 0.000 0.991 302 V HN 0.330 nan 8.190 nan 0.000 0.427 303 L N 6.049 127.104 121.223 -0.280 0.000 2.298 303 L HA 0.555 4.896 4.340 0.001 0.000 0.284 303 L C -0.844 175.968 176.870 -0.096 0.000 1.013 303 L CA -0.112 54.647 54.840 -0.136 0.000 0.824 303 L CB 1.217 43.151 42.059 -0.208 0.000 1.221 303 L HN 0.442 nan 8.230 nan 0.000 0.418 304 L N 5.623 126.850 121.223 0.007 0.000 2.255 304 L HA 0.287 4.627 4.340 0.001 0.000 0.289 304 L C 1.404 178.330 176.870 0.094 0.000 1.046 304 L CA 0.093 54.983 54.840 0.082 0.000 0.816 304 L CB 1.059 43.210 42.059 0.153 0.000 1.197 304 L HN 0.885 nan 8.230 nan 0.000 0.427 305 T N -1.294 113.320 114.554 0.099 0.000 3.014 305 T HA 0.028 4.379 4.350 0.001 0.000 0.263 305 T C 0.861 175.636 174.700 0.126 0.000 1.078 305 T CA 0.801 62.966 62.100 0.109 0.000 1.135 305 T CB 0.228 69.166 68.868 0.116 0.000 0.895 305 T HN 0.629 nan 8.240 nan 0.000 0.480 306 T N -0.024 114.638 114.554 0.180 0.000 2.645 306 T HA 0.432 4.782 4.350 0.001 0.000 0.300 306 T C -0.940 173.894 174.700 0.223 0.000 1.210 306 T CA -0.980 61.212 62.100 0.152 0.000 1.034 306 T CB 0.844 69.975 68.868 0.438 0.000 1.537 306 T HN 0.369 nan 8.240 nan 0.000 0.492 307 N N -0.431 118.419 118.700 0.250 0.000 2.340 307 N HA 0.118 4.859 4.740 0.001 0.000 0.236 307 N C -0.562 175.132 175.510 0.307 0.000 1.296 307 N CA -0.337 52.864 53.050 0.251 0.000 0.896 307 N CB -0.208 38.405 38.487 0.210 0.000 1.127 307 N HN 0.769 nan 8.380 nan 0.000 0.442 308 C N 1.231 120.656 119.300 0.207 0.000 2.273 308 C HA 0.428 4.889 4.460 0.001 0.000 0.328 308 C C 0.277 175.427 174.990 0.267 0.000 1.275 308 C CA -0.834 58.238 59.018 0.090 0.000 1.704 308 C CB -0.722 26.787 27.740 -0.386 0.000 2.326 308 C HN 0.654 nan 8.230 nan 0.000 0.517 309 L N 5.704 127.112 121.223 0.309 0.000 2.282 309 L HA 0.722 5.063 4.340 0.001 0.000 0.288 309 L C -0.341 176.739 176.870 0.350 0.000 1.033 309 L CA 0.238 55.290 54.840 0.354 0.000 0.807 309 L CB 1.130 43.410 42.059 0.369 0.000 1.209 309 L HN 0.512 nan 8.230 nan 0.000 0.423 310 V N 6.261 126.317 119.914 0.237 0.000 2.612 310 V HA 0.473 4.594 4.120 0.001 0.000 0.301 310 V C -2.059 173.931 176.094 -0.173 0.000 1.046 310 V CA -1.820 60.559 62.300 0.131 0.000 0.946 310 V CB 1.347 33.291 31.823 0.202 0.000 1.003 310 V HN 0.742 nan 8.190 nan 0.000 0.459 311 P HA 0.082 nan 4.420 nan 0.000 0.260 311 P C -2.467 174.518 177.300 -0.524 0.000 1.185 311 P CA -0.409 62.274 63.100 -0.695 0.000 0.763 311 P CB -0.246 31.254 31.700 -0.332 0.000 0.776 312 P HA 0.115 nan 4.420 nan 0.000 0.275 312 P C -0.332 176.631 177.300 -0.561 0.000 1.228 312 P CA -0.215 62.567 63.100 -0.530 0.000 0.786 312 P CB 0.775 32.129 31.700 -0.577 0.000 0.927 313 K N 1.984 121.978 120.400 -0.677 0.000 2.258 313 K HA 0.055 4.376 4.320 0.001 0.000 0.264 313 K C 0.998 177.296 176.600 -0.503 0.000 1.007 313 K CA -0.142 55.877 56.287 -0.448 0.000 0.941 313 K CB 0.164 32.533 32.500 -0.217 0.000 0.966 313 K HN 0.371 nan 8.250 nan 0.000 0.480 314 D N 0.711 120.959 120.400 -0.253 0.000 2.182 314 D HA -0.155 4.486 4.640 0.001 0.000 0.201 314 D C 1.670 177.878 176.300 -0.153 0.000 0.986 314 D CA 1.652 55.547 54.000 -0.176 0.000 0.847 314 D CB -0.030 40.717 40.800 -0.089 0.000 0.942 314 D HN 0.593 nan 8.370 nan 0.000 0.467 315 S N -0.006 115.623 115.700 -0.117 0.000 2.399 315 S HA -0.213 4.258 4.470 0.001 0.000 0.231 315 S C 1.806 176.440 174.600 0.057 0.000 1.022 315 S CA 1.181 59.380 58.200 -0.003 0.000 0.983 315 S CB -0.626 62.618 63.200 0.074 0.000 0.803 315 S HN 0.586 nan 8.310 nan 0.000 0.480 316 Y N -0.630 119.674 120.300 0.007 0.000 2.527 316 Y HA 0.553 5.104 4.550 0.001 0.000 0.247 316 Y C 1.518 177.415 175.900 -0.004 0.000 1.138 316 Y CA -0.939 57.169 58.100 0.014 0.000 1.228 316 Y CB -0.053 38.429 38.460 0.037 0.000 1.252 316 Y HN 0.074 nan 8.280 nan 0.000 0.531 317 K N 1.487 121.711 120.400 -0.294 0.000 2.113 317 K HA -0.270 4.051 4.320 0.001 0.000 0.208 317 K C 1.227 177.789 176.600 -0.062 0.000 1.047 317 K CA 2.240 58.397 56.287 -0.217 0.000 0.928 317 K CB -0.291 32.072 32.500 -0.227 0.000 0.716 317 K HN 0.455 nan 8.250 nan 0.000 0.446 318 D N 0.100 120.493 120.400 -0.012 0.000 2.348 318 D HA -0.111 4.530 4.640 0.001 0.000 0.216 318 D C 1.126 177.492 176.300 0.110 0.000 0.970 318 D CA 0.668 54.684 54.000 0.026 0.000 0.889 318 D CB 0.214 41.043 40.800 0.048 0.000 0.912 318 D HN 0.367 nan 8.370 nan 0.000 0.524 319 R N -0.635 119.935 120.500 0.117 0.000 2.577 319 R HA 0.261 4.602 4.340 0.001 0.000 0.344 319 R C -0.620 175.736 176.300 0.094 0.000 1.037 319 R CA -0.368 55.802 56.100 0.117 0.000 1.102 319 R CB 0.334 30.629 30.300 -0.007 0.000 1.313 319 R HN -0.056 nan 8.270 nan 0.000 0.561 320 V N 2.273 122.201 119.914 0.023 0.000 2.432 320 V HA 0.261 4.382 4.120 0.001 0.000 0.275 320 V C -0.906 175.147 176.094 -0.068 0.000 1.043 320 V CA -0.315 62.002 62.300 0.028 0.000 0.925 320 V CB 0.409 32.268 31.823 0.060 0.000 0.985 320 V HN 0.135 nan 8.190 nan 0.000 0.466 321 Y N 2.555 122.851 120.300 -0.008 0.000 2.364 321 Y HA 0.563 5.114 4.550 0.001 0.000 0.340 321 Y C 0.764 176.686 175.900 0.036 0.000 0.975 321 Y CA -0.770 57.348 58.100 0.030 0.000 1.089 321 Y CB 2.072 40.539 38.460 0.012 0.000 1.192 321 Y HN 0.727 nan 8.280 nan 0.000 0.454 322 T N -1.079 113.597 114.554 0.203 0.000 2.944 322 T HA 0.798 5.148 4.350 0.001 0.000 0.284 322 T C -0.217 174.487 174.700 0.007 0.000 1.010 322 T CA -0.615 61.603 62.100 0.195 0.000 1.025 322 T CB 2.152 71.225 68.868 0.343 0.000 1.079 322 T HN 0.624 nan 8.240 nan 0.000 0.516 323 T N -1.185 113.357 114.554 -0.020 0.000 2.762 323 T HA 0.631 4.982 4.350 0.001 0.000 0.301 323 T C 0.640 175.348 174.700 0.013 0.000 1.299 323 T CA 0.926 62.886 62.100 -0.235 0.000 1.005 323 T CB 0.826 69.636 68.868 -0.097 0.000 1.377 323 T HN 1.878 nan 8.240 nan 0.000 0.504 324 G N 1.495 110.297 108.800 0.004 0.000 2.583 324 G HA2 -0.250 3.711 3.960 0.001 0.000 0.292 324 G HA3 -0.250 3.711 3.960 0.001 0.000 0.292 324 G C 0.535 175.487 174.900 0.087 0.000 1.203 324 G CA 0.990 46.103 45.100 0.022 0.000 0.987 324 G HN 1.635 nan 8.290 nan 0.000 0.554 325 I N -0.379 120.148 120.570 -0.072 0.000 3.904 325 I HA 0.544 4.714 4.170 0.001 0.000 0.333 325 I C 0.864 176.950 176.117 -0.051 0.000 1.361 325 I CA -0.692 60.558 61.300 -0.082 0.000 1.116 325 I CB -0.055 37.849 38.000 -0.161 0.000 1.028 325 I HN 0.337 nan 8.210 nan 0.000 0.398 326 V N 1.937 121.872 119.914 0.035 0.000 2.686 326 V HA 0.787 4.907 4.120 0.001 0.000 0.295 326 V C 0.858 177.059 176.094 0.178 0.000 1.055 326 V CA 0.116 62.481 62.300 0.108 0.000 1.050 326 V CB 0.634 32.542 31.823 0.143 0.000 0.984 326 V HN 0.564 nan 8.190 nan 0.000 0.482 327 G N 2.641 111.558 108.800 0.195 0.000 2.732 327 G HA2 0.644 4.605 3.960 0.001 0.000 0.296 327 G HA3 0.644 4.605 3.960 0.001 0.000 0.296 327 G C -2.014 173.084 174.900 0.329 0.000 1.448 327 G CA -0.427 44.784 45.100 0.184 0.000 0.911 327 G HN 0.500 nan 8.290 nan 0.000 0.528 328 F N 1.093 121.124 119.950 0.134 0.000 2.605 328 F HA 0.512 5.040 4.527 0.001 0.000 0.320 328 F C 0.327 176.158 175.800 0.052 0.000 1.159 328 F CA -0.412 57.660 58.000 0.119 0.000 0.999 328 F CB 2.114 41.156 39.000 0.070 0.000 1.258 328 F HN 0.506 nan 8.300 nan 0.000 0.464 329 T N 4.309 118.668 114.554 -0.325 0.000 2.871 329 T HA 0.397 4.748 4.350 0.001 0.000 0.296 329 T C 0.938 175.675 174.700 0.061 0.000 0.998 329 T CA 1.633 63.655 62.100 -0.131 0.000 1.162 329 T CB 0.271 69.006 68.868 -0.221 0.000 0.947 329 T HN 1.259 nan 8.240 nan 0.000 0.536 330 G N 2.015 110.853 108.800 0.063 0.000 2.195 330 G HA2 -0.250 3.711 3.960 0.001 0.000 0.246 330 G HA3 -0.250 3.711 3.960 0.001 0.000 0.246 330 G C 0.379 175.325 174.900 0.076 0.000 0.984 330 G CA -0.152 44.991 45.100 0.072 0.000 0.633 330 G HN 0.829 nan 8.290 nan 0.000 0.525 331 C N 1.973 121.346 119.300 0.121 0.000 2.319 331 C HA 0.591 5.052 4.460 0.001 0.000 0.335 331 C C 0.996 176.001 174.990 0.027 0.000 1.274 331 C CA -0.982 58.071 59.018 0.060 0.000 1.806 331 C CB 0.863 28.681 27.740 0.130 0.000 2.329 331 C HN 0.466 nan 8.230 nan 0.000 0.524 332 K N 1.728 122.065 120.400 -0.105 0.000 2.485 332 K HA 0.117 4.437 4.320 0.001 0.000 0.277 332 K C -0.325 176.323 176.600 0.079 0.000 0.990 332 K CA 0.602 56.840 56.287 -0.082 0.000 0.994 332 K CB 0.203 32.505 32.500 -0.330 0.000 0.906 332 K HN 0.730 nan 8.250 nan 0.000 0.488 333 H N 1.896 120.998 119.070 0.054 0.000 2.589 333 H HA 0.363 4.920 4.556 0.001 0.000 0.351 333 H C -1.079 174.314 175.328 0.109 0.000 1.074 333 H CA -0.633 55.469 56.048 0.091 0.000 1.203 333 H CB 0.749 30.545 29.762 0.057 0.000 1.558 333 H HN 0.401 nan 8.280 nan 0.000 0.522 334 I N 7.585 127.949 120.570 -0.343 0.000 2.307 334 I HA 0.257 4.428 4.170 0.001 0.000 0.289 334 I C -2.170 173.731 176.117 -0.361 0.000 1.021 334 I CA -2.146 59.022 61.300 -0.221 0.000 1.224 334 I CB 1.351 39.293 38.000 -0.097 0.000 1.376 334 I HN 0.469 nan 8.210 nan 0.000 0.470 335 P HA 0.199 nan 4.420 nan 0.000 0.265 335 P C -0.010 177.248 177.300 -0.071 0.000 1.193 335 P CA 0.282 63.366 63.100 -0.025 0.000 0.765 335 P CB 0.741 32.456 31.700 0.025 0.000 0.823 336 G N 2.385 111.181 108.800 -0.006 0.000 2.542 336 G HA2 0.159 4.120 3.960 0.001 0.000 0.391 336 G HA3 0.159 4.120 3.960 0.001 0.000 0.391 336 G C -0.266 174.632 174.900 -0.003 0.000 1.551 336 G CA -0.465 44.623 45.100 -0.020 0.000 0.946 336 G HN 0.605 nan 8.290 nan 0.000 0.662 337 E N 1.584 121.786 120.200 0.004 0.000 2.714 337 E HA 0.359 4.709 4.350 0.001 0.000 0.219 337 E C 0.674 177.274 176.600 0.001 0.000 0.979 337 E CA -0.340 56.058 56.400 -0.004 0.000 1.092 337 E CB 0.330 30.024 29.700 -0.010 0.000 1.049 337 E HN 0.458 nan 8.360 nan 0.000 0.487 338 I N 0.573 121.149 120.570 0.010 0.000 4.050 338 I HA 0.339 4.510 4.170 0.001 0.000 0.327 338 I C 1.047 177.192 176.117 0.047 0.000 1.473 338 I CA 0.127 61.441 61.300 0.024 0.000 1.124 338 I CB 1.215 39.221 38.000 0.011 0.000 1.129 338 I HN 0.312 nan 8.210 nan 0.000 0.428 339 G N 1.097 109.925 108.800 0.047 0.000 2.148 339 G HA2 -0.211 3.750 3.960 0.001 0.000 0.254 339 G HA3 -0.211 3.750 3.960 0.001 0.000 0.254 339 G C 0.187 175.117 174.900 0.050 0.000 0.981 339 G CA -0.067 45.072 45.100 0.065 0.000 0.670 339 G HN 0.339 nan 8.290 nan 0.000 0.528 340 E N 0.201 120.419 120.200 0.029 0.000 2.391 340 E HA 0.143 4.494 4.350 0.001 0.000 0.255 340 E C 0.776 177.387 176.600 0.019 0.000 1.187 340 E CA -0.656 55.767 56.400 0.038 0.000 0.941 340 E CB 0.212 29.930 29.700 0.030 0.000 1.010 340 E HN 0.452 nan 8.360 nan 0.000 0.458 341 H N 1.728 120.781 119.070 -0.029 0.000 3.167 341 H HA -0.052 4.505 4.556 0.001 0.000 0.306 341 H C -0.532 174.717 175.328 -0.132 0.000 0.965 341 H CA 1.043 57.054 56.048 -0.060 0.000 1.408 341 H CB 0.256 29.990 29.762 -0.046 0.000 1.406 341 H HN 0.147 nan 8.280 nan 0.000 0.576 342 K N 3.940 123.823 120.400 -0.862 0.000 2.207 342 K HA 0.098 4.418 4.320 0.001 0.000 0.255 342 K C -0.709 175.174 176.600 -1.195 0.000 0.941 342 K CA -0.952 54.808 56.287 -0.878 0.000 0.825 342 K CB 1.463 33.410 32.500 -0.920 0.000 1.119 342 K HN 0.538 nan 8.250 nan 0.000 0.430 343 D N 2.456 122.426 120.400 -0.717 0.000 2.396 343 D HA 0.132 4.773 4.640 0.001 0.000 0.225 343 D C -0.469 175.593 176.300 -0.396 0.000 1.121 343 D CA -0.401 53.363 54.000 -0.394 0.000 0.853 343 D CB 0.336 41.080 40.800 -0.094 0.000 1.043 343 D HN 0.312 nan 8.370 nan 0.000 0.500 344 F N 1.647 121.528 119.950 -0.115 0.000 2.660 344 F HA 0.110 4.638 4.527 0.001 0.000 0.302 344 F C 2.285 178.031 175.800 -0.090 0.000 1.103 344 F CA -0.237 57.687 58.000 -0.125 0.000 1.340 344 F CB -0.103 38.808 39.000 -0.150 0.000 1.048 344 F HN 0.266 nan 8.300 nan 0.000 0.551 345 S N 0.535 116.285 115.700 0.083 0.000 2.370 345 S HA -0.244 4.227 4.470 0.001 0.000 0.226 345 S C 2.469 177.099 174.600 0.051 0.000 1.033 345 S CA 1.384 59.621 58.200 0.062 0.000 1.011 345 S CB -0.395 62.836 63.200 0.050 0.000 0.852 345 S HN 0.435 nan 8.310 nan 0.000 0.457 346 A N 1.164 124.017 122.820 0.056 0.000 1.898 346 A HA 0.059 4.380 4.320 0.001 0.000 0.216 346 A C 2.098 179.713 177.584 0.052 0.000 1.181 346 A CA 1.057 53.142 52.037 0.081 0.000 0.620 346 A CB -0.626 18.453 19.000 0.133 0.000 0.819 346 A HN 0.496 nan 8.150 nan 0.000 0.442 347 I N -0.435 120.068 120.570 -0.111 0.000 2.286 347 I HA -0.220 3.951 4.170 0.001 0.000 0.248 347 I C 2.118 178.142 176.117 -0.156 0.000 1.115 347 I CA 1.300 62.363 61.300 -0.396 0.000 1.392 347 I CB -0.075 37.455 38.000 -0.783 0.000 1.065 347 I HN 0.356 nan 8.210 nan 0.000 0.418 348 I N 0.823 121.352 120.570 -0.068 0.000 2.252 348 I HA -0.261 3.909 4.170 0.001 0.000 0.245 348 I C 2.746 178.872 176.117 0.016 0.000 1.102 348 I CA 1.256 62.537 61.300 -0.030 0.000 1.385 348 I CB -0.586 37.410 38.000 -0.007 0.000 1.064 348 I HN 0.257 nan 8.210 nan 0.000 0.414 349 A N -0.152 122.693 122.820 0.043 0.000 1.902 349 A HA -0.305 4.015 4.320 0.001 0.000 0.217 349 A C 2.224 179.876 177.584 0.113 0.000 1.181 349 A CA 1.975 54.048 52.037 0.061 0.000 0.623 349 A CB -1.199 17.834 19.000 0.055 0.000 0.818 349 A HN 0.555 nan 8.150 nan 0.000 0.443 350 H N -0.680 118.400 119.070 0.017 0.000 2.321 350 H HA -0.053 4.503 4.556 0.001 0.000 0.300 350 H C 2.323 177.662 175.328 0.018 0.000 1.087 350 H CA 1.095 57.169 56.048 0.044 0.000 1.319 350 H CB -0.024 29.805 29.762 0.112 0.000 1.379 350 H HN 0.472 nan 8.280 nan 0.000 0.501 351 A N 1.199 124.069 122.820 0.083 0.000 1.940 351 A HA -0.194 4.127 4.320 0.001 0.000 0.219 351 A C 2.205 179.800 177.584 0.019 0.000 1.176 351 A CA 1.735 53.767 52.037 -0.010 0.000 0.631 351 A CB -0.371 18.604 19.000 -0.042 0.000 0.814 351 A HN 0.465 nan 8.150 nan 0.000 0.446 352 K N -0.542 119.881 120.400 0.037 0.000 2.280 352 K HA -0.110 4.210 4.320 0.001 0.000 0.202 352 K C 1.799 178.417 176.600 0.031 0.000 1.047 352 K CA 1.611 57.913 56.287 0.025 0.000 0.942 352 K CB -0.308 32.206 32.500 0.023 0.000 0.739 352 K HN 0.750 nan 8.250 nan 0.000 0.457 353 T N -2.249 112.343 114.554 0.064 0.000 3.107 353 T HA 0.097 4.448 4.350 0.001 0.000 0.249 353 T C 0.852 175.582 174.700 0.051 0.000 1.096 353 T CA -0.357 61.779 62.100 0.061 0.000 1.012 353 T CB -0.360 68.557 68.868 0.082 0.000 0.977 353 T HN -0.005 nan 8.240 nan 0.000 0.527 354 C N 2.589 121.907 119.300 0.030 0.000 2.351 354 C HA 0.659 5.120 4.460 0.001 0.000 0.359 354 C C -2.086 172.865 174.990 -0.065 0.000 1.193 354 C CA -1.614 57.394 59.018 -0.016 0.000 2.270 354 C CB 1.164 28.868 27.740 -0.060 0.000 2.369 354 C HN 0.354 nan 8.230 nan 0.000 0.553 355 P HA 0.305 nan 4.420 nan 0.000 0.272 355 P C -0.502 176.681 177.300 -0.195 0.000 1.230 355 P CA 0.007 63.039 63.100 -0.113 0.000 0.788 355 P CB 0.328 31.965 31.700 -0.105 0.000 0.949 356 A N 3.095 125.808 122.820 -0.177 0.000 2.429 356 A HA 0.355 4.675 4.320 0.001 0.000 0.242 356 A C -2.095 175.266 177.584 -0.372 0.000 1.088 356 A CA -0.889 51.003 52.037 -0.241 0.000 0.784 356 A CB -1.538 17.384 19.000 -0.130 0.000 1.038 356 A HN 0.417 nan 8.150 nan 0.000 0.501 357 P HA 0.170 nan 4.420 nan 0.000 0.269 357 P C -0.333 176.799 177.300 -0.280 0.000 1.209 357 P CA 0.193 62.884 63.100 -0.683 0.000 0.776 357 P CB 0.338 31.433 31.700 -1.009 0.000 0.876 358 T N 2.313 116.769 114.554 -0.165 0.000 2.779 358 T HA 0.083 4.433 4.350 0.001 0.000 0.296 358 T C 0.228 174.992 174.700 0.106 0.000 0.938 358 T CA -0.150 61.939 62.100 -0.018 0.000 1.119 358 T CB -0.111 68.758 68.868 0.002 0.000 0.891 358 T HN 0.392 nan 8.240 nan 0.000 0.526 359 E N 2.706 122.949 120.200 0.072 0.000 2.344 359 E HA 0.156 4.506 4.350 0.001 0.000 0.270 359 E C 0.925 177.547 176.600 0.038 0.000 1.021 359 E CA -0.151 56.305 56.400 0.093 0.000 0.887 359 E CB 0.339 30.072 29.700 0.055 0.000 0.997 359 E HN 0.731 nan 8.360 nan 0.000 0.429 360 I N 0.210 120.766 120.570 -0.024 0.000 4.323 360 I HA 0.378 4.549 4.170 0.001 0.000 0.328 360 I C -0.055 175.999 176.117 -0.105 0.000 1.310 360 I CA -0.335 60.907 61.300 -0.097 0.000 1.186 360 I CB 0.439 38.323 38.000 -0.192 0.000 1.130 360 I HN 0.261 nan 8.210 nan 0.000 0.411 361 E N 1.121 121.267 120.200 -0.091 0.000 2.433 361 E HA 0.591 4.942 4.350 0.001 0.000 0.278 361 E C -1.208 175.379 176.600 -0.022 0.000 0.976 361 E CA -0.745 55.616 56.400 -0.064 0.000 0.793 361 E CB 2.394 32.038 29.700 -0.092 0.000 1.311 361 E HN 0.301 nan 8.360 nan 0.000 0.460 362 S N -0.296 115.398 115.700 -0.011 0.000 2.618 362 S HA 0.962 5.433 4.470 0.001 0.000 0.277 362 S C 0.169 174.771 174.600 0.003 0.000 1.138 362 S CA -0.040 58.163 58.200 0.006 0.000 0.844 362 S CB 2.180 65.387 63.200 0.011 0.000 1.127 362 S HN 1.078 nan 8.310 nan 0.000 0.474 363 G N 0.772 109.577 108.800 0.008 0.000 2.337 363 G HA2 0.295 4.255 3.960 0.001 0.000 0.197 363 G HA3 0.295 4.255 3.960 0.001 0.000 0.197 363 G C -1.222 173.680 174.900 0.004 0.000 1.238 363 G CA -0.040 45.063 45.100 0.006 0.000 1.119 363 G HN 1.524 nan 8.290 nan 0.000 0.514 364 E N -1.304 118.899 120.200 0.005 0.000 2.413 364 E HA 0.727 5.078 4.350 0.001 0.000 0.277 364 E C -1.398 175.210 176.600 0.013 0.000 0.958 364 E CA -1.155 55.245 56.400 0.002 0.000 0.779 364 E CB 2.267 31.969 29.700 0.003 0.000 1.278 364 E HN 0.673 nan 8.360 nan 0.000 0.456 365 I N 2.059 122.639 120.570 0.016 0.000 2.433 365 I HA 0.417 4.588 4.170 0.001 0.000 0.292 365 I C -0.434 175.725 176.117 0.070 0.000 1.001 365 I CA -1.055 60.271 61.300 0.043 0.000 1.119 365 I CB 1.873 39.901 38.000 0.046 0.000 1.289 365 I HN 0.549 nan 8.210 nan 0.000 0.438 366 I N 5.037 125.655 120.570 0.080 0.000 2.392 366 I HA 0.770 4.941 4.170 0.001 0.000 0.295 366 I C 0.152 176.320 176.117 0.084 0.000 0.985 366 I CA 0.268 61.618 61.300 0.084 0.000 1.221 366 I CB 1.255 39.317 38.000 0.103 0.000 1.366 366 I HN 0.727 nan 8.210 nan 0.000 0.467 367 G N 3.009 111.740 108.800 -0.115 0.000 2.634 367 G HA2 0.525 4.485 3.960 0.001 0.000 0.309 367 G HA3 0.525 4.485 3.960 0.001 0.000 0.309 367 G C -0.094 174.126 174.900 -1.134 0.000 1.299 367 G CA -0.178 44.647 45.100 -0.459 0.000 0.798 367 G HN 1.141 nan 8.290 nan 0.000 0.490 368 G N -1.699 106.260 108.800 -1.402 0.000 2.141 368 G HA2 -0.121 3.839 3.960 0.001 0.000 0.164 368 G HA3 -0.121 3.839 3.960 0.001 0.000 0.164 368 G C 0.087 174.633 174.900 -0.590 0.000 1.009 368 G CA 0.179 44.680 45.100 -0.998 0.000 0.677 368 G HN 0.856 nan 8.290 nan 0.000 0.508 369 F N 2.111 121.918 119.950 -0.238 0.000 2.733 369 F HA 0.640 5.168 4.527 0.001 0.000 0.344 369 F C 1.407 177.173 175.800 -0.057 0.000 1.179 369 F CA 0.107 58.039 58.000 -0.113 0.000 1.316 369 F CB -0.010 38.946 39.000 -0.073 0.000 1.577 369 F HN 0.408 nan 8.300 nan 0.000 0.591 370 A N -0.133 122.695 122.820 0.013 0.000 2.250 370 A HA 0.243 4.564 4.320 0.001 0.000 0.283 370 A C 1.475 179.064 177.584 0.009 0.000 1.206 370 A CA 0.076 52.131 52.037 0.030 0.000 0.840 370 A CB 0.034 19.020 19.000 -0.023 0.000 1.220 370 A HN 0.707 nan 8.150 nan 0.000 0.505 371 H N -0.794 118.308 119.070 0.053 0.000 2.353 371 H HA -0.125 4.431 4.556 0.001 0.000 0.300 371 H C 1.652 176.955 175.328 -0.041 0.000 1.090 371 H CA 1.722 57.773 56.048 0.006 0.000 1.327 371 H CB -0.270 29.491 29.762 -0.002 0.000 1.383 371 H HN 0.664 nan 8.280 nan 0.000 0.508 372 N N 0.169 118.666 118.700 -0.338 0.000 2.120 372 N HA -0.245 4.496 4.740 0.001 0.000 0.188 372 N C 2.031 177.440 175.510 -0.167 0.000 1.024 372 N CA 1.563 54.426 53.050 -0.312 0.000 0.852 372 N CB -0.029 38.005 38.487 -0.754 0.000 1.003 372 N HN 0.488 nan 8.380 nan 0.000 0.424 373 Q N 0.798 120.511 119.800 -0.145 0.000 2.119 373 Q HA -0.013 4.328 4.340 0.001 0.000 0.201 373 Q C 1.977 177.970 176.000 -0.012 0.000 0.972 373 Q CA 1.263 57.003 55.803 -0.105 0.000 0.847 373 Q CB -0.230 28.398 28.738 -0.184 0.000 0.903 373 Q HN 0.186 nan 8.270 nan 0.000 0.433 374 V N 0.175 120.115 119.914 0.043 0.000 2.358 374 V HA -0.193 3.928 4.120 0.001 0.000 0.246 374 V C 2.053 178.177 176.094 0.049 0.000 1.047 374 V CA 1.221 63.581 62.300 0.099 0.000 1.035 374 V CB -0.486 31.400 31.823 0.105 0.000 0.658 374 V HN 0.292 nan 8.190 nan 0.000 0.452 375 L N 0.547 121.783 121.223 0.022 0.000 2.131 375 L HA -0.070 4.271 4.340 0.001 0.000 0.210 375 L C 2.525 179.394 176.870 -0.002 0.000 1.092 375 L CA 2.067 56.911 54.840 0.007 0.000 0.759 375 L CB -1.082 40.980 42.059 0.004 0.000 0.903 375 L HN 0.297 nan 8.230 nan 0.000 0.435 376 A N -1.261 121.551 122.820 -0.014 0.000 2.067 376 A HA -0.045 4.275 4.320 0.001 0.000 0.219 376 A C 1.945 179.534 177.584 0.007 0.000 1.158 376 A CA 1.053 53.080 52.037 -0.016 0.000 0.661 376 A CB -0.516 18.463 19.000 -0.035 0.000 0.801 376 A HN 0.401 nan 8.150 nan 0.000 0.452 377 L N -1.108 120.134 121.223 0.031 0.000 2.741 377 L HA 0.211 4.552 4.340 0.001 0.000 0.237 377 L C 2.315 179.216 176.870 0.051 0.000 1.178 377 L CA 0.278 55.150 54.840 0.054 0.000 0.973 377 L CB 0.016 42.137 42.059 0.103 0.000 1.255 377 L HN 0.348 nan 8.230 nan 0.000 0.498 378 A N 1.079 123.919 122.820 0.033 0.000 1.940 378 A HA -0.248 4.073 4.320 0.001 0.000 0.219 378 A C 2.063 179.664 177.584 0.029 0.000 1.176 378 A CA 2.034 54.089 52.037 0.029 0.000 0.631 378 A CB -0.340 18.664 19.000 0.006 0.000 0.814 378 A HN 0.608 nan 8.150 nan 0.000 0.446 379 D N -0.043 120.369 120.400 0.020 0.000 2.117 379 D HA -0.197 4.444 4.640 0.001 0.000 0.197 379 D C 1.453 177.774 176.300 0.034 0.000 0.987 379 D CA 1.377 55.387 54.000 0.016 0.000 0.829 379 D CB -0.410 40.395 40.800 0.008 0.000 0.961 379 D HN 0.298 nan 8.370 nan 0.000 0.460 380 K N 0.621 121.047 120.400 0.044 0.000 2.057 380 K HA -0.005 4.316 4.320 0.001 0.000 0.206 380 K C 2.513 179.157 176.600 0.074 0.000 1.050 380 K CA 0.461 56.779 56.287 0.052 0.000 0.935 380 K CB -0.609 31.924 32.500 0.055 0.000 0.715 380 K HN 0.183 nan 8.250 nan 0.000 0.439 381 V N 1.973 121.944 119.914 0.095 0.000 2.307 381 V HA -0.199 3.921 4.120 0.001 0.000 0.245 381 V C 2.412 178.614 176.094 0.181 0.000 1.045 381 V CA 1.434 63.823 62.300 0.148 0.000 1.024 381 V CB -0.409 31.508 31.823 0.157 0.000 0.651 381 V HN 0.167 nan 8.190 nan 0.000 0.449 382 I N 0.086 120.744 120.570 0.146 0.000 2.226 382 I HA -0.239 3.932 4.170 0.001 0.000 0.245 382 I C 2.319 178.527 176.117 0.153 0.000 1.100 382 I CA 1.614 63.014 61.300 0.166 0.000 1.374 382 I CB -0.529 37.485 38.000 0.022 0.000 1.057 382 I HN 0.300 nan 8.210 nan 0.000 0.413 383 D N 1.048 121.502 120.400 0.089 0.000 2.123 383 D HA -0.170 4.471 4.640 0.001 0.000 0.196 383 D C 2.248 178.593 176.300 0.075 0.000 0.992 383 D CA 1.670 55.712 54.000 0.069 0.000 0.833 383 D CB -0.140 40.686 40.800 0.043 0.000 0.954 383 D HN 0.361 nan 8.370 nan 0.000 0.455 384 A N 0.262 123.127 122.820 0.076 0.000 1.930 384 A HA -0.109 4.212 4.320 0.001 0.000 0.217 384 A C 2.511 180.121 177.584 0.044 0.000 1.175 384 A CA 1.089 53.153 52.037 0.044 0.000 0.627 384 A CB -0.556 18.461 19.000 0.028 0.000 0.815 384 A HN 0.155 nan 8.150 nan 0.000 0.443 385 V N 0.031 120.014 119.914 0.114 0.000 2.379 385 V HA -0.232 3.889 4.120 0.001 0.000 0.245 385 V C 2.398 178.558 176.094 0.110 0.000 1.044 385 V CA 2.250 64.613 62.300 0.104 0.000 1.036 385 V CB -0.630 31.327 31.823 0.224 0.000 0.664 385 V HN 0.529 nan 8.190 nan 0.000 0.453 386 K N 0.898 121.411 120.400 0.188 0.000 2.097 386 K HA -0.140 4.181 4.320 0.001 0.000 0.206 386 K C 2.282 178.929 176.600 0.078 0.000 1.049 386 K CA 1.721 58.106 56.287 0.163 0.000 0.933 386 K CB -0.299 32.295 32.500 0.158 0.000 0.717 386 K HN 0.618 nan 8.250 nan 0.000 0.442 387 S N -0.862 114.869 115.700 0.052 0.000 2.527 387 S HA 0.062 4.533 4.470 0.001 0.000 0.222 387 S C 1.494 176.095 174.600 0.002 0.000 0.985 387 S CA 0.638 58.852 58.200 0.023 0.000 0.921 387 S CB 0.286 63.496 63.200 0.016 0.000 0.772 387 S HN 0.451 nan 8.310 nan 0.000 0.529 388 G N 0.555 109.351 108.800 -0.007 0.000 2.175 388 G HA2 -0.231 3.729 3.960 0.001 0.000 0.244 388 G HA3 -0.231 3.729 3.960 0.001 0.000 0.244 388 G C 1.038 175.903 174.900 -0.058 0.000 0.982 388 G CA 0.247 45.325 45.100 -0.036 0.000 0.641 388 G HN 1.194 nan 8.290 nan 0.000 0.527 389 A N -0.430 122.360 122.820 -0.049 0.000 1.940 389 A HA 0.383 4.703 4.320 0.001 0.000 0.219 389 A C 1.240 178.758 177.584 -0.110 0.000 1.176 389 A CA 1.483 53.480 52.037 -0.066 0.000 0.631 389 A CB -0.097 18.876 19.000 -0.045 0.000 0.814 389 A HN 0.880 nan 8.150 nan 0.000 0.446 390 I N -0.292 120.197 120.570 -0.134 0.000 2.354 390 I HA 0.208 4.378 4.170 0.001 0.000 0.286 390 I C 0.560 176.531 176.117 -0.243 0.000 1.007 390 I CA -0.568 60.583 61.300 -0.249 0.000 1.167 390 I CB 1.787 39.565 38.000 -0.369 0.000 1.320 390 I HN 0.006 nan 8.210 nan 0.000 0.458 391 K N 3.679 123.939 120.400 -0.233 0.000 2.284 391 K HA 0.205 4.526 4.320 0.001 0.000 0.198 391 K C 0.284 176.779 176.600 -0.174 0.000 1.048 391 K CA 0.598 56.781 56.287 -0.173 0.000 0.987 391 K CB 0.240 32.658 32.500 -0.137 0.000 0.800 391 K HN 0.342 nan 8.250 nan 0.000 0.486 392 K N -0.536 119.709 120.400 -0.257 0.000 2.546 392 K HA 0.354 4.675 4.320 0.001 0.000 0.264 392 K C -1.660 174.741 176.600 -0.332 0.000 0.937 392 K CA -0.402 55.794 56.287 -0.152 0.000 0.833 392 K CB 1.093 33.638 32.500 0.076 0.000 1.378 392 K HN -0.246 nan 8.250 nan 0.000 0.432 393 F N 1.635 121.587 119.950 0.004 0.000 2.422 393 F HA 0.568 5.096 4.527 0.001 0.000 0.333 393 F C -0.251 175.547 175.800 -0.003 0.000 1.095 393 F CA -0.844 57.143 58.000 -0.021 0.000 1.038 393 F CB 1.754 40.717 39.000 -0.061 0.000 1.156 393 F HN -0.019 nan 8.300 nan 0.000 0.483 394 V N 3.746 123.775 119.914 0.192 0.000 2.376 394 V HA 0.272 4.393 4.120 0.001 0.000 0.287 394 V C -0.466 175.674 176.094 0.077 0.000 1.015 394 V CA -0.909 61.483 62.300 0.154 0.000 0.834 394 V CB 1.373 33.378 31.823 0.303 0.000 1.001 394 V HN 0.500 nan 8.190 nan 0.000 0.428 395 V N 6.945 126.838 119.914 -0.035 0.000 2.415 395 V HA 0.223 4.344 4.120 0.001 0.000 0.267 395 V C 0.789 176.946 176.094 0.104 0.000 1.042 395 V CA 0.437 62.748 62.300 0.019 0.000 1.000 395 V CB 0.827 32.637 31.823 -0.022 0.000 1.015 395 V HN 0.896 nan 8.190 nan 0.000 0.478 396 M N 3.943 123.617 119.600 0.125 0.000 2.589 396 M HA 0.346 4.827 4.480 0.001 0.000 0.344 396 M C 0.808 177.251 176.300 0.238 0.000 1.168 396 M CA -0.185 55.210 55.300 0.159 0.000 0.956 396 M CB 0.754 33.367 32.600 0.023 0.000 1.370 396 M HN 0.682 nan 8.290 nan 0.000 0.518 397 A N 0.750 123.698 122.820 0.214 0.000 2.409 397 A HA 0.675 4.996 4.320 0.001 0.000 0.246 397 A C 0.884 178.586 177.584 0.196 0.000 1.099 397 A CA 0.917 53.084 52.037 0.216 0.000 0.789 397 A CB -0.076 19.045 19.000 0.202 0.000 1.053 397 A HN 0.634 nan 8.150 nan 0.000 0.503 398 G N -1.833 107.092 108.800 0.208 0.000 2.250 398 G HA2 0.284 4.245 3.960 0.001 0.000 0.252 398 G HA3 0.284 4.245 3.960 0.001 0.000 0.252 398 G C -0.835 174.211 174.900 0.242 0.000 1.325 398 G CA -0.195 45.040 45.100 0.225 0.000 1.091 398 G HN 1.512 nan 8.290 nan 0.000 0.476 399 C N 0.420 119.875 119.300 0.258 0.000 2.441 399 C HA 0.743 5.204 4.460 0.001 0.000 0.318 399 C C 0.117 175.267 174.990 0.266 0.000 1.222 399 C CA -0.524 58.683 59.018 0.315 0.000 1.474 399 C CB 1.060 29.032 27.740 0.386 0.000 2.125 399 C HN 0.821 nan 8.230 nan 0.000 0.479 400 D N 0.318 120.900 120.400 0.303 0.000 2.411 400 D HA 0.695 5.336 4.640 0.001 0.000 0.251 400 D C 0.373 176.761 176.300 0.147 0.000 1.201 400 D CA 0.661 54.782 54.000 0.202 0.000 0.996 400 D CB 1.351 42.310 40.800 0.264 0.000 1.101 400 D HN 0.873 nan 8.370 nan 0.000 0.504 401 G N -0.535 108.113 108.800 -0.254 0.000 2.619 401 G HA2 0.227 4.188 3.960 0.001 0.000 0.305 401 G HA3 0.227 4.188 3.960 0.001 0.000 0.305 401 G C 0.108 174.181 174.900 -1.380 0.000 1.330 401 G CA -0.581 44.134 45.100 -0.641 0.000 0.789 401 G HN 0.388 nan 8.290 nan 0.000 0.487 402 R N -0.178 119.625 120.500 -1.162 0.000 2.153 402 R HA 0.269 4.610 4.340 0.001 0.000 0.218 402 R C 1.535 177.341 176.300 -0.824 0.000 1.072 402 R CA 0.752 56.095 56.100 -1.261 0.000 0.990 402 R CB -0.159 29.802 30.300 -0.565 0.000 0.889 402 R HN 0.575 nan 8.270 nan 0.000 0.452 403 A N 2.625 125.155 122.820 -0.484 0.000 2.566 403 A HA -0.078 4.243 4.320 0.001 0.000 0.245 403 A C 1.137 178.570 177.584 -0.250 0.000 1.056 403 A CA 0.188 52.062 52.037 -0.271 0.000 0.757 403 A CB 0.185 19.095 19.000 -0.150 0.000 0.979 403 A HN 0.435 nan 8.150 nan 0.000 0.508 404 K N 2.207 122.503 120.400 -0.172 0.000 2.280 404 K HA -0.151 4.170 4.320 0.001 0.000 0.202 404 K C 1.572 178.145 176.600 -0.045 0.000 1.047 404 K CA 1.735 57.958 56.287 -0.108 0.000 0.942 404 K CB -0.326 32.135 32.500 -0.066 0.000 0.739 404 K HN 0.716 nan 8.250 nan 0.000 0.457 405 S N 1.390 117.068 115.700 -0.037 0.000 2.440 405 S HA -0.107 4.364 4.470 0.001 0.000 0.238 405 S C 1.782 176.411 174.600 0.049 0.000 1.010 405 S CA 0.630 58.830 58.200 -0.000 0.000 0.972 405 S CB -0.328 62.861 63.200 -0.018 0.000 0.774 405 S HN 0.400 nan 8.310 nan 0.000 0.501 406 R N 1.724 122.262 120.500 0.062 0.000 2.328 406 R HA 0.027 4.368 4.340 0.001 0.000 0.207 406 R C 2.444 178.893 176.300 0.249 0.000 1.056 406 R CA 0.886 57.119 56.100 0.222 0.000 1.016 406 R CB -0.518 29.885 30.300 0.172 0.000 0.872 406 R HN 0.751 nan 8.270 nan 0.000 0.471 407 S N 0.226 116.011 115.700 0.142 0.000 2.420 407 S HA -0.287 4.183 4.470 0.001 0.000 0.237 407 S C 1.779 176.467 174.600 0.147 0.000 1.023 407 S CA 1.068 59.350 58.200 0.138 0.000 0.991 407 S CB -0.561 62.689 63.200 0.084 0.000 0.792 407 S HN 0.535 nan 8.310 nan 0.000 0.488 408 Y N 1.921 122.204 120.300 -0.029 0.000 2.102 408 Y HA -0.321 4.229 4.550 0.001 0.000 0.280 408 Y C 1.964 177.807 175.900 -0.096 0.000 1.178 408 Y CA 1.924 59.944 58.100 -0.133 0.000 1.146 408 Y CB -0.785 37.471 38.460 -0.340 0.000 0.968 408 Y HN 0.268 nan 8.280 nan 0.000 0.504 409 Y N -0.248 120.239 120.300 0.312 0.000 2.242 409 Y HA -0.175 4.375 4.550 0.001 0.000 0.291 409 Y C 2.662 178.721 175.900 0.265 0.000 1.137 409 Y CA 1.744 60.012 58.100 0.281 0.000 1.181 409 Y CB -1.030 37.675 38.460 0.408 0.000 0.989 409 Y HN 0.091 nan 8.280 nan 0.000 0.527 410 T N -0.380 114.382 114.554 0.346 0.000 2.708 410 T HA -0.162 4.188 4.350 0.001 0.000 0.266 410 T C 1.308 176.089 174.700 0.136 0.000 1.037 410 T CA 1.698 63.954 62.100 0.261 0.000 1.146 410 T CB -0.351 68.634 68.868 0.195 0.000 0.865 410 T HN 0.276 nan 8.240 nan 0.000 0.435 411 D N 0.393 120.826 120.400 0.055 0.000 2.144 411 D HA -0.010 4.631 4.640 0.001 0.000 0.200 411 D C 1.692 177.946 176.300 -0.077 0.000 0.978 411 D CA 0.581 54.567 54.000 -0.024 0.000 0.833 411 D CB -0.444 40.327 40.800 -0.050 0.000 0.961 411 D HN 0.317 nan 8.370 nan 0.000 0.470 412 F N 1.756 121.526 119.950 -0.300 0.000 2.102 412 F HA -0.158 4.370 4.527 0.001 0.000 0.298 412 F C 2.241 177.951 175.800 -0.150 0.000 1.105 412 F CA 1.586 59.394 58.000 -0.320 0.000 1.239 412 F CB -0.216 38.463 39.000 -0.534 0.000 0.991 412 F HN -0.061 nan 8.300 nan 0.000 0.474 413 A N 0.119 123.016 122.820 0.127 0.000 1.883 413 A HA -0.235 4.086 4.320 0.001 0.000 0.217 413 A C 2.118 179.661 177.584 -0.068 0.000 1.186 413 A CA 2.014 54.064 52.037 0.021 0.000 0.624 413 A CB -0.959 18.078 19.000 0.061 0.000 0.822 413 A HN 0.568 nan 8.150 nan 0.000 0.444 414 E N -1.030 119.145 120.200 -0.042 0.000 2.204 414 E HA -0.084 4.267 4.350 0.001 0.000 0.194 414 E C 1.881 178.402 176.600 -0.131 0.000 0.989 414 E CA 0.652 57.013 56.400 -0.064 0.000 0.824 414 E CB -0.236 29.446 29.700 -0.029 0.000 0.756 414 E HN 0.628 nan 8.360 nan 0.000 0.477 415 G N 0.686 109.365 108.800 -0.201 0.000 2.880 415 G HA2 0.041 4.002 3.960 0.001 0.000 0.209 415 G HA3 0.041 4.002 3.960 0.001 0.000 0.209 415 G C 0.679 175.374 174.900 -0.342 0.000 1.157 415 G CA -0.291 44.655 45.100 -0.256 0.000 0.779 415 G HN 0.005 nan 8.290 nan 0.000 0.539 416 L N 1.339 122.331 121.223 -0.385 0.000 2.483 416 L HA 0.183 4.523 4.340 0.001 0.000 0.276 416 L C -1.722 174.955 176.870 -0.323 0.000 1.213 416 L CA -1.524 53.061 54.840 -0.424 0.000 0.843 416 L CB 0.576 42.431 42.059 -0.340 0.000 1.107 416 L HN -0.021 nan 8.230 nan 0.000 0.487 417 P HA -0.005 nan 4.420 nan 0.000 0.268 417 P C -0.063 177.107 177.300 -0.217 0.000 1.208 417 P CA -0.256 62.681 63.100 -0.272 0.000 0.777 417 P CB 0.443 31.959 31.700 -0.306 0.000 0.875 418 K N 1.431 121.730 120.400 -0.168 0.000 2.442 418 K HA -0.093 4.228 4.320 0.001 0.000 0.198 418 K C 0.471 176.986 176.600 -0.141 0.000 1.042 418 K CA 1.163 57.367 56.287 -0.137 0.000 0.958 418 K CB -0.555 31.880 32.500 -0.108 0.000 0.766 418 K HN 0.588 nan 8.250 nan 0.000 0.474 419 D N 0.255 120.558 120.400 -0.162 0.000 2.491 419 D HA -0.015 4.626 4.640 0.001 0.000 0.228 419 D C 0.035 176.207 176.300 -0.213 0.000 1.183 419 D CA -0.307 53.593 54.000 -0.167 0.000 0.827 419 D CB -0.245 40.467 40.800 -0.146 0.000 0.989 419 D HN -0.030 nan 8.370 nan 0.000 0.494 420 T N -3.024 111.399 114.554 -0.218 0.000 2.908 420 T HA 0.683 5.034 4.350 0.001 0.000 0.290 420 T C -0.424 174.153 174.700 -0.205 0.000 1.034 420 T CA -0.858 61.099 62.100 -0.239 0.000 1.010 420 T CB 2.114 70.850 68.868 -0.220 0.000 1.068 420 T HN -0.119 nan 8.240 nan 0.000 0.481 421 V N 2.507 122.288 119.914 -0.221 0.000 2.540 421 V HA 0.473 4.593 4.120 0.001 0.000 0.302 421 V C -0.191 175.903 176.094 -0.001 0.000 1.035 421 V CA -1.007 61.221 62.300 -0.121 0.000 0.873 421 V CB 1.667 33.413 31.823 -0.129 0.000 0.992 421 V HN 0.887 nan 8.190 nan 0.000 0.428 422 I N 5.340 125.905 120.570 -0.007 0.000 2.365 422 I HA 0.357 4.528 4.170 0.001 0.000 0.291 422 I C -0.453 175.694 176.117 0.049 0.000 1.004 422 I CA -0.181 61.123 61.300 0.007 0.000 1.311 422 I CB 1.003 38.940 38.000 -0.105 0.000 1.401 422 I HN 0.326 nan 8.210 nan 0.000 0.491 423 L N 6.041 127.313 121.223 0.082 0.000 2.296 423 L HA 0.561 4.902 4.340 0.001 0.000 0.286 423 L C 0.027 176.971 176.870 0.123 0.000 1.023 423 L CA -0.183 54.708 54.840 0.085 0.000 0.812 423 L CB 1.702 43.797 42.059 0.061 0.000 1.223 423 L HN 0.569 nan 8.230 nan 0.000 0.421 424 T N 1.957 116.606 114.554 0.159 0.000 2.865 424 T HA 0.911 5.262 4.350 0.001 0.000 0.294 424 T C -1.632 173.186 174.700 0.195 0.000 1.119 424 T CA -0.330 61.901 62.100 0.218 0.000 1.007 424 T CB 2.061 71.135 68.868 0.342 0.000 1.225 424 T HN 0.791 nan 8.240 nan 0.000 0.515 425 A N 0.586 123.526 122.820 0.200 0.000 2.590 425 A HA 0.751 5.072 4.320 0.001 0.000 0.296 425 A C 0.108 177.813 177.584 0.203 0.000 1.050 425 A CA 0.187 52.344 52.037 0.199 0.000 0.697 425 A CB 0.567 19.687 19.000 0.201 0.000 1.277 425 A HN 2.269 nan 8.150 nan 0.000 0.411 426 G N -1.007 107.919 108.800 0.209 0.000 2.781 426 G HA2 0.134 4.095 3.960 0.001 0.000 0.683 426 G HA3 0.134 4.095 3.960 0.001 0.000 0.683 426 G C 1.020 176.042 174.900 0.204 0.000 1.390 426 G CA 0.015 45.260 45.100 0.241 0.000 0.850 426 G HN 2.570 nan 8.290 nan 0.000 0.557 427 C N -0.186 119.283 119.300 0.282 0.000 2.466 427 C HA 0.465 4.925 4.460 0.001 0.000 0.283 427 C C 3.098 178.256 174.990 0.279 0.000 1.472 427 C CA 1.103 60.334 59.018 0.355 0.000 1.765 427 C CB -1.655 26.361 27.740 0.459 0.000 1.724 427 C HN 2.190 nan 8.230 nan 0.000 0.560 428 A N 2.966 125.897 122.820 0.185 0.000 2.032 428 A HA -0.236 4.085 4.320 0.001 0.000 0.221 428 A C 2.347 179.854 177.584 -0.128 0.000 1.165 428 A CA 2.159 54.241 52.037 0.076 0.000 0.645 428 A CB -0.712 18.336 19.000 0.081 0.000 0.807 428 A HN 0.906 nan 8.150 nan 0.000 0.453 429 K N -1.641 118.643 120.400 -0.193 0.000 2.218 429 K HA -0.222 4.099 4.320 0.001 0.000 0.205 429 K C 1.442 177.605 176.600 -0.729 0.000 1.046 429 K CA 1.864 57.817 56.287 -0.557 0.000 0.933 429 K CB -0.638 31.660 32.500 -0.337 0.000 0.728 429 K HN 0.478 nan 8.250 nan 0.000 0.454 430 Y N 1.251 121.377 120.300 -0.289 0.000 2.574 430 Y HA 0.042 4.593 4.550 0.001 0.000 0.294 430 Y C 2.113 177.897 175.900 -0.192 0.000 1.142 430 Y CA 0.503 58.481 58.100 -0.204 0.000 1.314 430 Y CB 0.040 38.419 38.460 -0.135 0.000 0.991 430 Y HN 0.015 nan 8.280 nan 0.000 0.555 431 R N -0.319 120.090 120.500 -0.151 0.000 2.280 431 R HA -0.084 4.257 4.340 0.001 0.000 0.207 431 R C 0.100 176.423 176.300 0.039 0.000 1.043 431 R CA 0.974 57.083 56.100 0.014 0.000 1.006 431 R CB -0.356 30.062 30.300 0.196 0.000 0.885 431 R HN 0.650 nan 8.270 nan 0.000 0.467 432 Y N -2.426 117.951 120.300 0.128 0.000 2.957 432 Y HA 0.265 4.815 4.550 0.001 0.000 0.274 432 Y C 0.482 176.416 175.900 0.056 0.000 1.065 432 Y CA -1.175 56.984 58.100 0.097 0.000 1.273 432 Y CB -0.879 37.653 38.460 0.119 0.000 1.358 432 Y HN -0.128 nan 8.280 nan 0.000 0.585 433 N N 1.297 119.966 118.700 -0.052 0.000 2.336 433 N HA 0.052 4.793 4.740 0.001 0.000 0.189 433 N C 0.116 175.641 175.510 0.025 0.000 1.113 433 N CA 0.054 53.104 53.050 -0.000 0.000 0.858 433 N CB 0.064 38.470 38.487 -0.136 0.000 0.970 433 N HN 0.465 nan 8.380 nan 0.000 0.471 434 K N 0.463 120.888 120.400 0.042 0.000 2.934 434 K HA 0.349 4.670 4.320 0.001 0.000 0.210 434 K C -0.304 176.325 176.600 0.049 0.000 1.122 434 K CA -0.189 56.123 56.287 0.041 0.000 1.033 434 K CB 0.785 33.306 32.500 0.035 0.000 0.779 434 K HN 0.071 nan 8.250 nan 0.000 0.459 435 L N 0.020 121.283 121.223 0.066 0.000 2.578 435 L HA 0.397 4.738 4.340 0.001 0.000 0.259 435 L C 0.236 177.131 176.870 0.041 0.000 1.082 435 L CA -1.096 53.781 54.840 0.060 0.000 0.843 435 L CB 0.608 42.720 42.059 0.088 0.000 1.535 435 L HN 0.079 nan 8.230 nan 0.000 0.510 436 N N 0.925 119.642 118.700 0.028 0.000 2.886 436 N HA 0.297 5.038 4.740 0.001 0.000 0.285 436 N C 0.341 175.854 175.510 0.004 0.000 1.706 436 N CA -0.020 53.039 53.050 0.014 0.000 0.904 436 N CB 0.903 39.394 38.487 0.007 0.000 1.224 436 N HN 0.453 nan 8.380 nan 0.000 0.488 437 L N -0.713 120.514 121.223 0.007 0.000 2.477 437 L HA 0.237 4.578 4.340 0.001 0.000 0.220 437 L C 1.418 178.275 176.870 -0.022 0.000 1.106 437 L CA 0.220 55.053 54.840 -0.011 0.000 0.851 437 L CB -0.361 41.694 42.059 -0.006 0.000 0.994 437 L HN 0.432 nan 8.230 nan 0.000 0.462 438 G N 1.632 110.425 108.800 -0.012 0.000 2.553 438 G HA2 -0.289 3.672 3.960 0.001 0.000 0.242 438 G HA3 -0.289 3.672 3.960 0.001 0.000 0.242 438 G C -0.786 174.100 174.900 -0.024 0.000 1.277 438 G CA 0.104 45.194 45.100 -0.016 0.000 0.910 438 G HN 0.548 nan 8.290 nan 0.000 0.576 439 D N -1.803 118.580 120.400 -0.028 0.000 2.570 439 D HA 0.652 5.292 4.640 0.001 0.000 0.244 439 D C -0.448 175.827 176.300 -0.041 0.000 1.178 439 D CA -0.991 52.989 54.000 -0.034 0.000 0.881 439 D CB 1.474 42.265 40.800 -0.015 0.000 1.453 439 D HN 0.678 nan 8.370 nan 0.000 0.447 440 I N 1.070 121.612 120.570 -0.048 0.000 2.405 440 I HA 0.474 4.645 4.170 0.001 0.000 0.280 440 I C 0.948 177.047 176.117 -0.030 0.000 1.027 440 I CA -0.689 60.581 61.300 -0.049 0.000 1.161 440 I CB 1.309 39.265 38.000 -0.073 0.000 1.300 440 I HN 0.898 nan 8.210 nan 0.000 0.463 441 G N 4.313 113.101 108.800 -0.020 0.000 2.283 441 G HA2 -0.171 3.790 3.960 0.001 0.000 0.280 441 G HA3 -0.171 3.790 3.960 0.001 0.000 0.280 441 G C 0.988 175.890 174.900 0.003 0.000 1.029 441 G CA 0.646 45.741 45.100 -0.008 0.000 0.840 441 G HN 1.339 nan 8.290 nan 0.000 0.505 442 G N -1.550 107.252 108.800 0.003 0.000 2.234 442 G HA2 -0.239 3.722 3.960 0.001 0.000 0.235 442 G HA3 -0.239 3.722 3.960 0.001 0.000 0.235 442 G C 0.438 175.353 174.900 0.025 0.000 0.997 442 G CA 0.173 45.284 45.100 0.019 0.000 0.623 442 G HN 1.290 nan 8.290 nan 0.000 0.514 443 I N 3.384 123.955 120.570 0.003 0.000 2.337 443 I HA 0.282 4.452 4.170 0.001 0.000 0.291 443 I C -1.913 174.159 176.117 -0.075 0.000 1.046 443 I CA -2.066 59.217 61.300 -0.028 0.000 1.324 443 I CB 1.183 39.164 38.000 -0.031 0.000 1.409 443 I HN -0.099 nan 8.210 nan 0.000 0.494 444 P HA 0.069 nan 4.420 nan 0.000 0.267 444 P C 0.230 177.448 177.300 -0.136 0.000 1.200 444 P CA -0.105 62.932 63.100 -0.104 0.000 0.772 444 P CB 0.516 32.158 31.700 -0.097 0.000 0.855 445 R N 0.828 121.279 120.500 -0.083 0.000 2.307 445 R HA 0.085 4.426 4.340 0.001 0.000 0.199 445 R C -0.165 176.098 176.300 -0.062 0.000 1.000 445 R CA 0.518 56.570 56.100 -0.080 0.000 1.023 445 R CB 0.042 30.301 30.300 -0.068 0.000 0.908 445 R HN 0.309 nan 8.270 nan 0.000 0.473 446 V N 2.117 122.001 119.914 -0.050 0.000 2.443 446 V HA 0.299 4.419 4.120 0.001 0.000 0.293 446 V C -0.467 175.579 176.094 -0.080 0.000 1.021 446 V CA -0.608 61.689 62.300 -0.004 0.000 0.848 446 V CB 2.043 33.929 31.823 0.106 0.000 0.998 446 V HN 0.089 nan 8.190 nan 0.000 0.424 447 L N 4.049 125.204 121.223 -0.113 0.000 2.295 447 L HA 0.515 4.856 4.340 0.001 0.000 0.281 447 L C -0.540 176.361 176.870 0.051 0.000 1.018 447 L CA -0.392 54.299 54.840 -0.248 0.000 0.841 447 L CB 1.526 43.337 42.059 -0.413 0.000 1.218 447 L HN 0.563 nan 8.230 nan 0.000 0.424 448 D N 2.558 123.065 120.400 0.179 0.000 2.380 448 D HA 0.320 4.960 4.640 0.001 0.000 0.230 448 D C 0.730 177.155 176.300 0.208 0.000 1.154 448 D CA -0.194 53.925 54.000 0.197 0.000 0.859 448 D CB 2.039 42.956 40.800 0.195 0.000 1.045 448 D HN 0.563 nan 8.370 nan 0.000 0.495 449 A N 2.875 125.819 122.820 0.207 0.000 2.123 449 A HA 0.510 4.831 4.320 0.001 0.000 0.214 449 A C 1.326 179.057 177.584 0.245 0.000 1.152 449 A CA 1.113 53.267 52.037 0.195 0.000 0.728 449 A CB -0.182 18.923 19.000 0.175 0.000 0.814 449 A HN 0.822 nan 8.150 nan 0.000 0.464 450 G N -1.425 107.557 108.800 0.303 0.000 2.217 450 G HA2 0.036 3.997 3.960 0.001 0.000 0.126 450 G HA3 0.036 3.997 3.960 0.001 0.000 0.126 450 G C -0.676 174.375 174.900 0.251 0.000 1.293 450 G CA -0.275 45.027 45.100 0.337 0.000 1.219 450 G HN 0.376 nan 8.290 nan 0.000 0.477 451 Q N -0.279 119.666 119.800 0.241 0.000 2.316 451 Q HA 0.364 4.705 4.340 0.001 0.000 0.215 451 Q C 2.138 178.292 176.000 0.257 0.000 1.020 451 Q CA -0.054 55.895 55.803 0.244 0.000 0.970 451 Q CB 1.056 29.960 28.738 0.277 0.000 1.187 451 Q HN 1.045 nan 8.270 nan 0.000 0.546 452 C N -0.382 119.114 119.300 0.326 0.000 2.403 452 C HA -0.160 4.300 4.460 0.001 0.000 0.277 452 C C 1.797 176.922 174.990 0.226 0.000 1.248 452 C CA 0.896 60.104 59.018 0.317 0.000 1.762 452 C CB -1.440 26.544 27.740 0.406 0.000 2.014 452 C HN 0.880 nan 8.230 nan 0.000 0.486 453 N N 1.735 120.479 118.700 0.073 0.000 2.289 453 N HA -0.153 4.587 4.740 0.001 0.000 0.184 453 N C 0.739 176.228 175.510 -0.035 0.000 1.016 453 N CA 1.636 54.475 53.050 -0.352 0.000 0.872 453 N CB -0.804 37.267 38.487 -0.693 0.000 0.973 453 N HN 0.582 nan 8.380 nan 0.000 0.433 454 D N 0.702 121.174 120.400 0.119 0.000 2.363 454 D HA 0.052 4.693 4.640 0.001 0.000 0.226 454 D C 0.980 177.401 176.300 0.200 0.000 1.020 454 D CA 0.136 54.256 54.000 0.200 0.000 0.892 454 D CB 0.048 40.982 40.800 0.224 0.000 0.900 454 D HN 0.209 nan 8.370 nan 0.000 0.531 455 S N 0.347 116.156 115.700 0.182 0.000 2.419 455 S HA -0.215 4.256 4.470 0.001 0.000 0.235 455 S C 1.658 176.356 174.600 0.163 0.000 1.019 455 S CA 0.472 58.775 58.200 0.173 0.000 0.982 455 S CB -0.303 63.006 63.200 0.181 0.000 0.789 455 S HN 0.425 nan 8.310 nan 0.000 0.490 456 Y N 2.544 122.882 120.300 0.062 0.000 2.128 456 Y HA -0.222 4.329 4.550 0.001 0.000 0.284 456 Y C 2.551 178.495 175.900 0.074 0.000 1.154 456 Y CA 1.541 59.670 58.100 0.048 0.000 1.149 456 Y CB -0.760 37.718 38.460 0.030 0.000 0.976 456 Y HN 0.170 nan 8.280 nan 0.000 0.505 457 S N 0.354 116.135 115.700 0.134 0.000 2.383 457 S HA -0.196 4.275 4.470 0.001 0.000 0.229 457 S C 2.040 176.641 174.600 0.002 0.000 1.030 457 S CA 1.584 59.852 58.200 0.113 0.000 1.002 457 S CB -0.551 62.796 63.200 0.245 0.000 0.829 457 S HN 0.476 nan 8.310 nan 0.000 0.467 458 L N 0.830 122.071 121.223 0.031 0.000 2.046 458 L HA -0.116 4.224 4.340 0.001 0.000 0.208 458 L C 2.785 179.637 176.870 -0.031 0.000 1.077 458 L CA 1.213 56.063 54.840 0.017 0.000 0.747 458 L CB -0.776 41.328 42.059 0.074 0.000 0.896 458 L HN 0.316 nan 8.230 nan 0.000 0.432 459 A N -0.112 122.664 122.820 -0.073 0.000 1.902 459 A HA -0.129 4.192 4.320 0.001 0.000 0.217 459 A C 2.359 179.825 177.584 -0.197 0.000 1.181 459 A CA 1.607 53.576 52.037 -0.113 0.000 0.623 459 A CB -0.785 18.132 19.000 -0.139 0.000 0.818 459 A HN 0.177 nan 8.150 nan 0.000 0.443 460 V N 0.215 119.926 119.914 -0.339 0.000 2.332 460 V HA -0.289 3.832 4.120 0.001 0.000 0.248 460 V C 2.424 178.420 176.094 -0.163 0.000 1.055 460 V CA 2.138 64.241 62.300 -0.328 0.000 1.038 460 V CB -0.690 30.837 31.823 -0.492 0.000 0.651 460 V HN 0.576 nan 8.190 nan 0.000 0.450 461 I N 0.301 120.803 120.570 -0.112 0.000 2.179 461 I HA -0.241 3.930 4.170 0.001 0.000 0.242 461 I C 2.664 178.722 176.117 -0.099 0.000 1.088 461 I CA 1.520 62.768 61.300 -0.087 0.000 1.357 461 I CB -0.601 37.347 38.000 -0.088 0.000 1.051 461 I HN 0.282 nan 8.210 nan 0.000 0.409 462 A N 0.871 123.637 122.820 -0.090 0.000 1.883 462 A HA -0.173 4.148 4.320 0.001 0.000 0.217 462 A C 2.294 179.863 177.584 -0.026 0.000 1.186 462 A CA 1.500 53.505 52.037 -0.053 0.000 0.624 462 A CB -0.919 18.091 19.000 0.016 0.000 0.822 462 A HN 0.392 nan 8.150 nan 0.000 0.444 463 L N -0.953 120.243 121.223 -0.046 0.000 2.131 463 L HA -0.179 4.162 4.340 0.001 0.000 0.210 463 L C 2.579 179.434 176.870 -0.025 0.000 1.092 463 L CA 1.700 56.518 54.840 -0.037 0.000 0.759 463 L CB -0.354 41.664 42.059 -0.067 0.000 0.903 463 L HN 0.368 nan 8.230 nan 0.000 0.435 464 K N 0.965 121.342 120.400 -0.037 0.000 2.057 464 K HA -0.131 4.189 4.320 0.001 0.000 0.206 464 K C 1.949 178.558 176.600 0.015 0.000 1.050 464 K CA 1.531 57.805 56.287 -0.022 0.000 0.935 464 K CB -0.380 32.100 32.500 -0.033 0.000 0.715 464 K HN 0.156 nan 8.250 nan 0.000 0.439 465 L N 0.817 122.063 121.223 0.039 0.000 2.083 465 L HA -0.143 4.198 4.340 0.001 0.000 0.209 465 L C 2.618 179.620 176.870 0.221 0.000 1.083 465 L CA 1.502 56.436 54.840 0.157 0.000 0.752 465 L CB -0.508 41.626 42.059 0.124 0.000 0.899 465 L HN 0.295 nan 8.230 nan 0.000 0.433 466 K N 0.395 120.866 120.400 0.117 0.000 2.063 466 K HA -0.272 4.049 4.320 0.001 0.000 0.208 466 K C 2.116 178.775 176.600 0.100 0.000 1.048 466 K CA 1.808 58.161 56.287 0.110 0.000 0.928 466 K CB -0.106 32.427 32.500 0.056 0.000 0.713 466 K HN 0.279 nan 8.250 nan 0.000 0.442 467 E N 0.681 120.913 120.200 0.052 0.000 2.031 467 E HA -0.153 4.198 4.350 0.001 0.000 0.193 467 E C 2.006 178.603 176.600 -0.005 0.000 0.994 467 E CA 1.466 57.877 56.400 0.018 0.000 0.800 467 E CB -0.108 29.589 29.700 -0.005 0.000 0.752 467 E HN 0.189 nan 8.360 nan 0.000 0.447 468 V N 0.537 120.431 119.914 -0.033 0.000 2.332 468 V HA -0.245 3.875 4.120 0.001 0.000 0.248 468 V C 2.091 178.004 176.094 -0.302 0.000 1.055 468 V CA 1.895 64.082 62.300 -0.188 0.000 1.038 468 V CB -0.630 31.030 31.823 -0.271 0.000 0.651 468 V HN 0.230 nan 8.190 nan 0.000 0.450 469 F N 0.390 120.348 119.950 0.012 0.000 2.797 469 F HA 0.397 4.925 4.527 0.001 0.000 0.302 469 F C 1.752 177.560 175.800 0.015 0.000 1.130 469 F CA 0.575 58.586 58.000 0.018 0.000 1.387 469 F CB -0.500 38.517 39.000 0.029 0.000 1.107 469 F HN 0.263 nan 8.300 nan 0.000 0.577 470 G N 1.639 110.501 108.800 0.104 0.000 2.295 470 G HA2 -0.301 3.660 3.960 0.001 0.000 0.287 470 G HA3 -0.301 3.660 3.960 0.001 0.000 0.287 470 G C -0.032 174.917 174.900 0.082 0.000 1.055 470 G CA -0.114 45.027 45.100 0.067 0.000 0.922 470 G HN 0.313 nan 8.290 nan 0.000 0.503 471 L N -0.688 120.594 121.223 0.098 0.000 2.343 471 L HA 0.443 4.783 4.340 0.001 0.000 0.275 471 L C 1.705 178.605 176.870 0.050 0.000 1.056 471 L CA -0.416 54.471 54.840 0.078 0.000 0.804 471 L CB 1.066 43.178 42.059 0.089 0.000 1.203 471 L HN 0.496 nan 8.230 nan 0.000 0.440 472 E N -0.335 119.888 120.200 0.038 0.000 2.385 472 E HA 0.003 4.354 4.350 0.001 0.000 0.194 472 E C -0.331 176.283 176.600 0.022 0.000 1.013 472 E CA 0.142 56.557 56.400 0.026 0.000 0.866 472 E CB 0.470 30.182 29.700 0.021 0.000 0.832 472 E HN 0.471 nan 8.360 nan 0.000 0.500 473 D N 0.613 121.030 120.400 0.028 0.000 2.863 473 D HA 0.031 4.672 4.640 0.001 0.000 0.245 473 D C 0.380 176.700 176.300 0.033 0.000 1.211 473 D CA -0.667 53.347 54.000 0.024 0.000 0.888 473 D CB 2.452 43.264 40.800 0.021 0.000 1.483 473 D HN -0.109 nan 8.370 nan 0.000 0.533 474 V N 4.536 124.468 119.914 0.030 0.000 2.568 474 V HA -0.233 3.887 4.120 0.001 0.000 0.253 474 V C 1.344 177.477 176.094 0.065 0.000 1.072 474 V CA 2.082 64.408 62.300 0.043 0.000 1.084 474 V CB -0.497 31.344 31.823 0.030 0.000 0.676 474 V HN 0.521 nan 8.190 nan 0.000 0.469 475 N N 0.094 118.826 118.700 0.053 0.000 2.520 475 N HA -0.099 4.642 4.740 0.001 0.000 0.185 475 N C 1.058 176.608 175.510 0.066 0.000 1.068 475 N CA 1.105 54.197 53.050 0.070 0.000 0.911 475 N CB -0.095 38.416 38.487 0.041 0.000 0.961 475 N HN 0.505 nan 8.380 nan 0.000 0.446 476 D N 0.212 120.641 120.400 0.049 0.000 2.355 476 D HA 0.048 4.689 4.640 0.001 0.000 0.218 476 D C 0.318 176.633 176.300 0.025 0.000 1.004 476 D CA 0.223 54.246 54.000 0.037 0.000 0.880 476 D CB 0.182 41.001 40.800 0.032 0.000 0.911 476 D HN 0.267 nan 8.370 nan 0.000 0.528 477 L N 1.893 123.137 121.223 0.035 0.000 2.452 477 L HA 0.138 4.479 4.340 0.001 0.000 0.267 477 L C -1.643 175.246 176.870 0.032 0.000 1.188 477 L CA -1.341 53.505 54.840 0.010 0.000 0.821 477 L CB 0.278 42.357 42.059 0.033 0.000 1.102 477 L HN -0.173 nan 8.230 nan 0.000 0.470 478 P HA 0.239 nan 4.420 nan 0.000 0.225 478 P C -0.781 176.599 177.300 0.132 0.000 1.813 478 P CA 0.357 63.494 63.100 0.062 0.000 1.013 478 P CB -0.291 31.416 31.700 0.012 0.000 1.961 479 I N 0.817 121.436 120.570 0.081 0.000 2.582 479 I HA 0.378 4.548 4.170 0.001 0.000 0.292 479 I C -0.219 175.825 176.117 -0.121 0.000 1.066 479 I CA -1.255 60.030 61.300 -0.024 0.000 1.053 479 I CB 2.897 40.802 38.000 -0.158 0.000 1.241 479 I HN -0.185 nan 8.210 nan 0.000 0.421 480 V N 5.810 125.623 119.914 -0.169 0.000 2.628 480 V HA 0.391 4.511 4.120 0.001 0.000 0.306 480 V C -1.204 174.733 176.094 -0.261 0.000 1.045 480 V CA -0.659 61.559 62.300 -0.137 0.000 0.905 480 V CB 1.881 33.608 31.823 -0.160 0.000 0.997 480 V HN 0.418 nan 8.190 nan 0.000 0.436 481 Y N 2.897 123.220 120.300 0.038 0.000 2.402 481 Y HA 0.479 5.029 4.550 0.001 0.000 0.332 481 Y C 0.430 176.371 175.900 0.069 0.000 0.960 481 Y CA -0.594 57.526 58.100 0.033 0.000 1.228 481 Y CB 1.101 39.532 38.460 -0.048 0.000 1.120 481 Y HN 0.554 nan 8.280 nan 0.000 0.491 482 N N 5.125 123.949 118.700 0.207 0.000 2.841 482 N HA 0.237 4.977 4.740 0.001 0.000 0.257 482 N C -1.153 174.511 175.510 0.256 0.000 1.396 482 N CA -0.393 52.790 53.050 0.222 0.000 0.823 482 N CB 0.230 38.769 38.487 0.087 0.000 1.162 482 N HN 0.695 nan 8.380 nan 0.000 0.503 483 I N -0.790 119.922 120.570 0.236 0.000 2.437 483 I HA 0.822 4.993 4.170 0.001 0.000 0.298 483 I C -0.231 176.000 176.117 0.190 0.000 0.984 483 I CA -1.042 60.374 61.300 0.193 0.000 1.214 483 I CB 1.816 39.927 38.000 0.186 0.000 1.365 483 I HN 0.172 nan 8.210 nan 0.000 0.469 484 A N 7.355 130.204 122.820 0.048 0.000 2.305 484 A HA 0.687 5.008 4.320 0.001 0.000 0.322 484 A C -0.801 176.933 177.584 0.251 0.000 1.187 484 A CA -0.569 51.476 52.037 0.014 0.000 0.825 484 A CB 0.723 19.463 19.000 -0.433 0.000 1.164 484 A HN 0.931 nan 8.150 nan 0.000 0.498 485 W N 2.057 123.421 121.300 0.108 0.000 2.882 485 W HA 0.641 5.302 4.660 0.001 0.000 0.345 485 W C -1.173 175.492 176.519 0.243 0.000 1.125 485 W CA -0.925 56.513 57.345 0.154 0.000 1.167 485 W CB 1.121 30.648 29.460 0.111 0.000 1.431 485 W HN 0.733 nan 8.180 nan 0.000 0.543 486 Y N 0.992 121.241 120.300 -0.084 0.000 3.087 486 Y HA 0.155 4.705 4.550 0.001 0.000 0.227 486 Y C 0.322 176.099 175.900 -0.205 0.000 1.015 486 Y CA 1.416 59.321 58.100 -0.325 0.000 1.399 486 Y CB 0.239 38.696 38.460 -0.005 0.000 1.483 486 Y HN 0.463 nan 8.280 nan 0.000 0.420 487 E N -0.295 119.842 120.200 -0.106 0.000 2.573 487 E HA 0.341 4.692 4.350 0.001 0.000 0.218 487 E C 0.504 177.168 176.600 0.106 0.000 0.777 487 E CA -0.341 55.956 56.400 -0.171 0.000 0.970 487 E CB 0.342 29.842 29.700 -0.334 0.000 1.666 487 E HN 0.029 nan 8.360 nan 0.000 0.384 488 Q N -0.135 119.660 119.800 -0.010 0.000 2.245 488 Q HA 0.122 4.463 4.340 0.001 0.000 0.201 488 Q C 1.569 177.552 176.000 -0.029 0.000 0.955 488 Q CA 1.192 57.000 55.803 0.008 0.000 0.870 488 Q CB -0.088 28.622 28.738 -0.047 0.000 0.945 488 Q HN 0.392 nan 8.270 nan 0.000 0.461 489 K N 0.353 120.698 120.400 -0.092 0.000 2.057 489 K HA -0.072 4.249 4.320 0.001 0.000 0.207 489 K C 2.048 178.695 176.600 0.079 0.000 1.049 489 K CA 1.199 57.390 56.287 -0.160 0.000 0.931 489 K CB -0.229 32.141 32.500 -0.218 0.000 0.714 489 K HN 0.217 nan 8.250 nan 0.000 0.440 490 A N 0.924 123.857 122.820 0.188 0.000 1.933 490 A HA -0.128 4.192 4.320 0.001 0.000 0.218 490 A C 2.319 180.025 177.584 0.203 0.000 1.175 490 A CA 1.401 53.598 52.037 0.267 0.000 0.628 490 A CB -0.610 18.630 19.000 0.400 0.000 0.814 490 A HN 0.078 nan 8.150 nan 0.000 0.444 491 V N -0.373 119.648 119.914 0.179 0.000 2.295 491 V HA -0.244 3.877 4.120 0.001 0.000 0.246 491 V C 2.361 178.494 176.094 0.065 0.000 1.049 491 V CA 2.005 64.365 62.300 0.099 0.000 1.024 491 V CB -0.653 31.256 31.823 0.143 0.000 0.648 491 V HN 0.591 nan 8.190 nan 0.000 0.447 492 I N -0.302 120.306 120.570 0.063 0.000 2.394 492 I HA -0.139 4.031 4.170 0.001 0.000 0.251 492 I C 2.188 178.371 176.117 0.110 0.000 1.136 492 I CA 1.310 62.650 61.300 0.068 0.000 1.425 492 I CB -0.188 37.836 38.000 0.040 0.000 1.079 492 I HN 0.061 nan 8.210 nan 0.000 0.425 493 V N 0.320 120.329 119.914 0.159 0.000 2.295 493 V HA -0.270 3.851 4.120 0.001 0.000 0.246 493 V C 2.444 178.580 176.094 0.069 0.000 1.049 493 V CA 1.933 64.331 62.300 0.164 0.000 1.024 493 V CB -0.861 31.092 31.823 0.216 0.000 0.648 493 V HN 0.503 nan 8.190 nan 0.000 0.447 494 L N -0.181 121.064 121.223 0.036 0.000 1.989 494 L HA -0.171 4.170 4.340 0.001 0.000 0.211 494 L C 2.221 179.028 176.870 -0.106 0.000 1.071 494 L CA 1.985 56.795 54.840 -0.049 0.000 0.749 494 L CB -0.567 41.443 42.059 -0.082 0.000 0.890 494 L HN 0.208 nan 8.230 nan 0.000 0.431 495 L N -0.630 120.549 121.223 -0.075 0.000 2.083 495 L HA -0.188 4.152 4.340 0.001 0.000 0.209 495 L C 2.700 179.509 176.870 -0.101 0.000 1.083 495 L CA 1.089 55.867 54.840 -0.105 0.000 0.752 495 L CB -1.049 40.986 42.059 -0.041 0.000 0.899 495 L HN 0.432 nan 8.230 nan 0.000 0.433 496 A N 0.461 123.259 122.820 -0.037 0.000 1.877 496 A HA -0.180 4.140 4.320 0.001 0.000 0.216 496 A C 2.254 179.795 177.584 -0.073 0.000 1.186 496 A CA 1.497 53.521 52.037 -0.022 0.000 0.620 496 A CB -0.729 18.304 19.000 0.054 0.000 0.822 496 A HN 0.351 nan 8.150 nan 0.000 0.443 497 L N -0.597 120.569 121.223 -0.095 0.000 2.046 497 L HA -0.185 4.156 4.340 0.001 0.000 0.208 497 L C 2.573 179.302 176.870 -0.235 0.000 1.077 497 L CA 1.013 55.758 54.840 -0.159 0.000 0.747 497 L CB -0.568 41.377 42.059 -0.189 0.000 0.896 497 L HN 0.382 nan 8.230 nan 0.000 0.432 498 L N -0.398 120.633 121.223 -0.319 0.000 2.046 498 L HA -0.203 4.137 4.340 0.001 0.000 0.208 498 L C 2.904 179.569 176.870 -0.341 0.000 1.077 498 L CA 1.619 56.135 54.840 -0.539 0.000 0.747 498 L CB -0.695 40.833 42.059 -0.887 0.000 0.896 498 L HN 0.418 nan 8.230 nan 0.000 0.432 499 S N 0.078 115.650 115.700 -0.213 0.000 2.419 499 S HA -0.129 4.342 4.470 0.001 0.000 0.233 499 S C 1.813 176.371 174.600 -0.069 0.000 1.016 499 S CA 0.818 58.955 58.200 -0.105 0.000 0.974 499 S CB -0.543 62.602 63.200 -0.091 0.000 0.786 499 S HN 0.417 nan 8.310 nan 0.000 0.492 500 L N 1.034 122.205 121.223 -0.086 0.000 2.610 500 L HA 0.262 4.603 4.340 0.001 0.000 0.232 500 L C 1.867 178.707 176.870 -0.049 0.000 1.149 500 L CA 0.425 55.226 54.840 -0.065 0.000 0.872 500 L CB -0.711 41.304 42.059 -0.073 0.000 0.992 500 L HN 0.643 nan 8.230 nan 0.000 0.447 501 G N -0.128 108.651 108.800 -0.035 0.000 2.132 501 G HA2 -0.237 3.723 3.960 0.001 0.000 0.234 501 G HA3 -0.237 3.723 3.960 0.001 0.000 0.234 501 G C 0.194 175.084 174.900 -0.017 0.000 0.989 501 G CA -0.053 45.063 45.100 0.026 0.000 0.676 501 G HN 0.084 nan 8.290 nan 0.000 0.522 502 V N 1.867 121.706 119.914 -0.124 0.000 2.521 502 V HA 0.387 4.508 4.120 0.001 0.000 0.286 502 V C 0.608 176.596 176.094 -0.177 0.000 1.034 502 V CA -0.001 62.157 62.300 -0.237 0.000 1.045 502 V CB 1.214 32.737 31.823 -0.499 0.000 0.974 502 V HN 0.259 nan 8.190 nan 0.000 0.480 503 K N 3.458 123.785 120.400 -0.121 0.000 2.211 503 K HA 0.459 4.779 4.320 0.001 0.000 0.237 503 K C 0.509 177.028 176.600 -0.134 0.000 1.002 503 K CA -0.821 55.431 56.287 -0.057 0.000 0.885 503 K CB 0.840 33.335 32.500 -0.008 0.000 1.136 503 K HN 0.655 nan 8.250 nan 0.000 0.448 504 N N -0.041 118.572 118.700 -0.146 0.000 2.741 504 N HA -0.211 4.530 4.740 0.001 0.000 0.250 504 N C -0.338 174.820 175.510 -0.586 0.000 1.115 504 N CA 0.590 53.470 53.050 -0.283 0.000 0.724 504 N CB -1.762 36.623 38.487 -0.170 0.000 1.090 504 N HN 0.546 nan 8.380 nan 0.000 0.558 505 I N 1.833 122.145 120.570 -0.430 0.000 2.618 505 I HA -0.066 4.104 4.170 0.001 0.000 0.284 505 I C 0.853 176.637 176.117 -0.553 0.000 1.146 505 I CA 0.391 61.440 61.300 -0.418 0.000 1.425 505 I CB 0.339 38.181 38.000 -0.263 0.000 1.383 505 I HN 0.030 nan 8.210 nan 0.000 0.562 506 H N 6.913 125.874 119.070 -0.182 0.000 2.519 506 H HA 0.417 4.974 4.556 0.001 0.000 0.316 506 H C -0.755 174.564 175.328 -0.015 0.000 1.065 506 H CA -0.775 55.144 56.048 -0.215 0.000 1.264 506 H CB 1.701 31.102 29.762 -0.601 0.000 1.413 506 H HN 0.299 nan 8.280 nan 0.000 0.465 507 L N 2.743 124.030 121.223 0.107 0.000 2.362 507 L HA 0.698 5.039 4.340 0.001 0.000 0.275 507 L C -0.048 176.957 176.870 0.226 0.000 0.998 507 L CA -0.027 54.896 54.840 0.138 0.000 0.820 507 L CB 1.792 43.847 42.059 -0.005 0.000 1.270 507 L HN 0.814 nan 8.230 nan 0.000 0.415 508 G N 3.630 112.656 108.800 0.376 0.000 2.663 508 G HA2 0.467 4.427 3.960 0.001 0.000 0.299 508 G HA3 0.467 4.427 3.960 0.001 0.000 0.299 508 G C -2.771 172.392 174.900 0.439 0.000 1.372 508 G CA -0.406 44.915 45.100 0.369 0.000 0.781 508 G HN 0.364 nan 8.290 nan 0.000 0.491 509 P HA 0.123 nan 4.420 nan 0.000 0.241 509 P C 0.540 177.894 177.300 0.088 0.000 1.191 509 P CA 0.871 64.056 63.100 0.142 0.000 0.771 509 P CB 0.318 32.084 31.700 0.110 0.000 0.929 510 T N -2.971 111.695 114.554 0.188 0.000 2.865 510 T HA 0.594 4.945 4.350 0.001 0.000 0.294 510 T C -0.364 174.528 174.700 0.321 0.000 1.119 510 T CA -0.957 61.253 62.100 0.183 0.000 1.007 510 T CB 1.255 70.205 68.868 0.138 0.000 1.225 510 T HN -0.190 nan 8.240 nan 0.000 0.515 511 L N 1.349 122.671 121.223 0.165 0.000 2.357 511 L HA 0.488 4.828 4.340 0.001 0.000 0.273 511 L C -2.296 174.568 176.870 -0.010 0.000 1.080 511 L CA -2.509 52.355 54.840 0.040 0.000 0.803 511 L CB 0.919 42.953 42.059 -0.041 0.000 1.174 511 L HN 0.458 nan 8.230 nan 0.000 0.443 512 P HA -0.039 nan 4.420 nan 0.000 0.264 512 P C 0.039 177.049 177.300 -0.483 0.000 1.183 512 P CA 0.092 62.836 63.100 -0.593 0.000 0.763 512 P CB 0.807 31.501 31.700 -1.677 0.000 0.807 513 A N 3.552 126.202 122.820 -0.284 0.000 2.067 513 A HA -0.154 4.167 4.320 0.001 0.000 0.219 513 A C 1.389 178.884 177.584 -0.148 0.000 1.158 513 A CA 1.227 53.215 52.037 -0.082 0.000 0.661 513 A CB -1.374 17.709 19.000 0.138 0.000 0.801 513 A HN 0.676 nan 8.150 nan 0.000 0.452 514 F N -1.266 118.489 119.950 -0.324 0.000 2.811 514 F HA 0.432 4.960 4.527 0.001 0.000 0.301 514 F C 0.149 175.894 175.800 -0.091 0.000 1.151 514 F CA -0.574 57.135 58.000 -0.485 0.000 1.412 514 F CB -0.641 37.931 39.000 -0.714 0.000 1.113 514 F HN -0.098 nan 8.300 nan 0.000 0.579 515 L N 2.498 123.655 121.223 -0.108 0.000 2.261 515 L HA 0.297 4.637 4.340 0.001 0.000 0.289 515 L C 0.760 177.655 176.870 0.041 0.000 1.059 515 L CA -0.826 54.006 54.840 -0.013 0.000 0.816 515 L CB 0.727 42.721 42.059 -0.108 0.000 1.191 515 L HN 0.288 nan 8.230 nan 0.000 0.431 516 S N 3.101 118.854 115.700 0.089 0.000 2.589 516 S HA 0.229 4.700 4.470 0.001 0.000 0.265 516 S C -1.763 172.868 174.600 0.052 0.000 1.342 516 S CA -1.035 57.216 58.200 0.085 0.000 1.005 516 S CB 0.825 64.081 63.200 0.093 0.000 0.909 516 S HN 0.379 nan 8.310 nan 0.000 0.555 517 P HA -0.111 nan 4.420 nan 0.000 0.215 517 P C 1.011 178.329 177.300 0.029 0.000 1.157 517 P CA 1.304 64.424 63.100 0.033 0.000 0.874 517 P CB -0.085 31.635 31.700 0.033 0.000 0.790 518 N N -1.113 117.607 118.700 0.033 0.000 2.216 518 N HA -0.075 4.666 4.740 0.001 0.000 0.183 518 N C 1.726 177.254 175.510 0.030 0.000 1.017 518 N CA 0.830 53.896 53.050 0.027 0.000 0.861 518 N CB -1.073 37.430 38.487 0.027 0.000 0.986 518 N HN 0.017 nan 8.380 nan 0.000 0.428 519 V N 1.463 121.401 119.914 0.039 0.000 2.379 519 V HA -0.118 4.003 4.120 0.001 0.000 0.245 519 V C 2.402 178.517 176.094 0.035 0.000 1.044 519 V CA 1.621 63.947 62.300 0.044 0.000 1.036 519 V CB -0.929 30.930 31.823 0.060 0.000 0.664 519 V HN 0.261 nan 8.190 nan 0.000 0.453 520 A N -0.013 122.821 122.820 0.023 0.000 1.908 520 A HA -0.303 4.018 4.320 0.001 0.000 0.218 520 A C 2.334 179.927 177.584 0.016 0.000 1.181 520 A CA 2.363 54.405 52.037 0.008 0.000 0.627 520 A CB -0.531 18.467 19.000 -0.004 0.000 0.818 520 A HN 0.536 nan 8.150 nan 0.000 0.445 521 K N -0.357 120.052 120.400 0.016 0.000 2.063 521 K HA -0.109 4.212 4.320 0.001 0.000 0.208 521 K C 1.806 178.410 176.600 0.007 0.000 1.048 521 K CA 1.642 57.935 56.287 0.011 0.000 0.928 521 K CB -0.292 32.213 32.500 0.010 0.000 0.713 521 K HN 0.223 nan 8.250 nan 0.000 0.442 522 V N 1.772 121.695 119.914 0.014 0.000 2.343 522 V HA -0.258 3.863 4.120 0.001 0.000 0.247 522 V C 2.290 178.396 176.094 0.021 0.000 1.051 522 V CA 1.651 63.956 62.300 0.008 0.000 1.036 522 V CB -0.327 31.510 31.823 0.024 0.000 0.654 522 V HN 0.343 nan 8.190 nan 0.000 0.451 523 L N -0.725 120.542 121.223 0.073 0.000 2.093 523 L HA -0.130 4.211 4.340 0.001 0.000 0.208 523 L C 2.438 179.379 176.870 0.118 0.000 1.085 523 L CA 0.971 55.913 54.840 0.170 0.000 0.755 523 L CB -0.634 41.503 42.059 0.130 0.000 0.904 523 L HN 0.204 nan 8.230 nan 0.000 0.435 524 V N -0.069 119.870 119.914 0.041 0.000 2.358 524 V HA -0.253 3.868 4.120 0.001 0.000 0.246 524 V C 2.349 178.427 176.094 -0.027 0.000 1.047 524 V CA 1.742 64.050 62.300 0.013 0.000 1.035 524 V CB -0.430 31.398 31.823 0.007 0.000 0.658 524 V HN 0.448 nan 8.190 nan 0.000 0.452 525 E N -0.312 119.860 120.200 -0.048 0.000 2.077 525 E HA -0.255 4.096 4.350 0.001 0.000 0.193 525 E C 2.306 178.801 176.600 -0.176 0.000 0.989 525 E CA 1.386 57.735 56.400 -0.086 0.000 0.800 525 E CB -0.115 29.541 29.700 -0.074 0.000 0.746 525 E HN 0.660 nan 8.360 nan 0.000 0.452 526 Q N -1.126 118.500 119.800 -0.290 0.000 2.302 526 Q HA 0.008 4.348 4.340 0.001 0.000 0.202 526 Q C 0.835 176.282 176.000 -0.921 0.000 0.936 526 Q CA 0.728 56.133 55.803 -0.663 0.000 0.886 526 Q CB 0.424 28.602 28.738 -0.934 0.000 0.986 526 Q HN 0.274 nan 8.270 nan 0.000 0.487 527 F N -1.176 118.738 119.950 -0.060 0.000 2.871 527 F HA 0.236 4.764 4.527 0.001 0.000 0.344 527 F C 0.221 175.961 175.800 -0.100 0.000 1.078 527 F CA -0.569 57.381 58.000 -0.084 0.000 1.149 527 F CB 0.318 39.260 39.000 -0.096 0.000 1.087 527 F HN -0.112 nan 8.300 nan 0.000 0.557 528 N N 2.216 120.935 118.700 0.031 0.000 2.727 528 N HA -0.233 4.508 4.740 0.001 0.000 0.249 528 N C -0.096 175.390 175.510 -0.039 0.000 1.048 528 N CA 0.644 53.688 53.050 -0.009 0.000 0.714 528 N CB -1.247 37.223 38.487 -0.028 0.000 0.959 528 N HN 0.561 nan 8.380 nan 0.000 0.544 529 I N -2.480 118.083 120.570 -0.012 0.000 2.754 529 I HA 0.587 4.757 4.170 0.001 0.000 0.285 529 I C 1.147 177.234 176.117 -0.050 0.000 1.166 529 I CA 0.095 61.351 61.300 -0.073 0.000 1.417 529 I CB 1.057 39.022 38.000 -0.059 0.000 1.382 529 I HN 0.138 nan 8.210 nan 0.000 0.588 530 G N 2.676 111.443 108.800 -0.055 0.000 2.682 530 G HA2 0.642 4.603 3.960 0.001 0.000 0.290 530 G HA3 0.642 4.603 3.960 0.001 0.000 0.290 530 G C -0.853 174.090 174.900 0.071 0.000 1.425 530 G CA -0.478 44.642 45.100 0.032 0.000 0.807 530 G HN 0.990 nan 8.290 nan 0.000 0.482 531 G N -1.291 107.574 108.800 0.108 0.000 2.642 531 G HA2 0.675 4.636 3.960 0.001 0.000 0.291 531 G HA3 0.675 4.636 3.960 0.001 0.000 0.291 531 G C 0.069 175.079 174.900 0.183 0.000 1.345 531 G CA -0.521 44.649 45.100 0.117 0.000 1.043 531 G HN 1.187 nan 8.290 nan 0.000 0.528 532 I N -2.294 118.321 120.570 0.074 0.000 2.793 532 I HA 0.790 4.961 4.170 0.001 0.000 0.313 532 I C 0.720 176.793 176.117 -0.073 0.000 0.998 532 I CA -0.534 60.752 61.300 -0.024 0.000 1.140 532 I CB 2.223 39.901 38.000 -0.536 0.000 1.327 532 I HN 0.676 nan 8.210 nan 0.000 0.491 533 T N 0.374 114.887 114.554 -0.069 0.000 1.812 533 T HA 0.373 4.723 4.350 0.001 0.000 0.173 533 T C 0.508 175.222 174.700 0.025 0.000 0.710 533 T CA 0.318 62.402 62.100 -0.026 0.000 1.065 533 T CB -0.241 68.632 68.868 0.009 0.000 3.214 533 T HN 0.862 nan 8.240 nan 0.000 0.403 534 S N 1.631 117.385 115.700 0.089 0.000 2.651 534 S HA 0.571 5.042 4.470 0.001 0.000 0.291 534 S C -2.140 172.587 174.600 0.212 0.000 1.141 534 S CA -1.350 56.945 58.200 0.158 0.000 1.027 534 S CB 1.429 64.665 63.200 0.060 0.000 1.043 534 S HN 0.311 nan 8.310 nan 0.000 0.530 535 P HA -0.181 nan 4.420 nan 0.000 0.215 535 P C 1.689 178.952 177.300 -0.061 0.000 1.157 535 P CA 1.313 64.363 63.100 -0.083 0.000 0.868 535 P CB 0.000 31.596 31.700 -0.175 0.000 0.788 536 Q N -0.120 119.647 119.800 -0.055 0.000 2.050 536 Q HA -0.210 4.131 4.340 0.001 0.000 0.202 536 Q C 1.565 177.525 176.000 -0.066 0.000 0.980 536 Q CA 1.845 57.606 55.803 -0.071 0.000 0.840 536 Q CB -0.541 28.167 28.738 -0.050 0.000 0.898 536 Q HN 0.196 nan 8.270 nan 0.000 0.424 537 D N 0.495 120.866 120.400 -0.049 0.000 2.144 537 D HA -0.127 4.513 4.640 0.001 0.000 0.200 537 D C 1.424 177.638 176.300 -0.142 0.000 0.978 537 D CA 1.156 55.118 54.000 -0.062 0.000 0.833 537 D CB -0.121 40.657 40.800 -0.037 0.000 0.961 537 D HN 0.349 nan 8.370 nan 0.000 0.470 538 D N 0.454 120.711 120.400 -0.238 0.000 2.183 538 D HA -0.027 4.614 4.640 0.001 0.000 0.203 538 D C 2.306 178.410 176.300 -0.326 0.000 0.969 538 D CA 0.143 53.723 54.000 -0.700 0.000 0.842 538 D CB -0.238 39.975 40.800 -0.979 0.000 0.957 538 D HN 0.203 nan 8.370 nan 0.000 0.484 539 L N 0.447 121.634 121.223 -0.060 0.000 2.191 539 L HA -0.150 4.190 4.340 0.001 0.000 0.212 539 L C 2.338 179.292 176.870 0.140 0.000 1.103 539 L CA 1.046 55.893 54.840 0.011 0.000 0.769 539 L CB -0.116 41.784 42.059 -0.265 0.000 0.908 539 L HN -0.009 nan 8.230 nan 0.000 0.438 540 K N -0.016 120.409 120.400 0.041 0.000 2.063 540 K HA -0.027 4.294 4.320 0.001 0.000 0.204 540 K C 2.204 178.882 176.600 0.130 0.000 1.039 540 K CA 0.926 57.258 56.287 0.075 0.000 0.957 540 K CB -0.057 32.452 32.500 0.014 0.000 0.764 540 K HN 0.150 nan 8.250 nan 0.000 0.447 541 A N 0.818 123.670 122.820 0.054 0.000 1.933 541 A HA -0.102 4.219 4.320 0.001 0.000 0.218 541 A C 1.787 179.525 177.584 0.258 0.000 1.175 541 A CA 1.124 53.233 52.037 0.121 0.000 0.628 541 A CB -0.640 18.413 19.000 0.089 0.000 0.814 541 A HN 0.368 nan 8.150 nan 0.000 0.444 542 F N -1.371 118.538 119.950 -0.068 0.000 2.604 542 F HA 0.216 4.744 4.527 0.001 0.000 0.298 542 F C 0.535 176.080 175.800 -0.425 0.000 1.131 542 F CA -0.542 57.267 58.000 -0.317 0.000 1.457 542 F CB -0.942 37.724 39.000 -0.557 0.000 1.095 542 F HN 0.061 nan 8.300 nan 0.000 0.574 543 F N 0.000 120.089 119.950 0.231 0.000 2.286 543 F HA 0.000 4.528 4.527 0.001 0.000 0.279 543 F CA 0.000 58.083 58.000 0.139 0.000 1.383 543 F CB 0.000 39.045 39.000 0.074 0.000 1.145 543 F HN 0.000 nan 8.300 nan 0.000 0.574