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 1we3_1_H DATA FIRST_RESID 3 DATA SEQUENCE AKILVFDEAA RRALERGVNA VANAVKVTLG PRGRNVVLEK KFGSPTITKD DATA SEQUENCE GVTVAKEVEL EDHLENIGAQ LLKEVASKTN DVAGDGTTTA TVLAQAIVRE DATA SEQUENCE GLKNVAAGAN PLALKRGIEK AVEAAVEKIK ALAIPVEDRK AIEEVATISA DATA SEQUENCE NDPEVGKLIA DAMEKVGKEG IITVEESKSL ETELKFVEGY QFDKGYISPY DATA SEQUENCE FVTNPETMEA VLEDAFILIV EKKVSNVREL LPILEQVAQT GKPLLIIAED DATA SEQUENCE VEGEALATLV VNKLRGTLSV AAVKAPGFGD RRKEMLKDIA AVTGGTVISE DATA SEQUENCE ELGFKLENAT LSMLGRAERV RITKDETTIV GGKGKKEDIE ARINGIKKEL DATA SEQUENCE ETTDSEYARE KLQERLAKLA GGVAVIRVGA ATETELKEKK HRFEDALNAT DATA SEQUENCE RAAVEEGIVP GGGVTLLRAI SAVEELIKKL EGDEATGAKI VRRALEEPAR DATA SEQUENCE QIAENAGYEG SVIVQQILAE TKNPRYGFNA ATGEFVDMVE AGIVDPAKVT DATA SEQUENCE RSALQNAASI GALILTTEAV VAEKPE VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 A HA 0.000 nan 4.320 nan 0.000 0.244 3 A C 0.000 177.557 177.584 -0.046 0.000 1.274 3 A CA 0.000 52.021 52.037 -0.027 0.000 0.836 3 A CB 0.000 18.986 19.000 -0.023 0.000 0.831 4 K N 0.448 120.823 120.400 -0.042 0.000 2.520 4 K HA 0.724 5.044 4.320 0.000 0.000 0.256 4 K C -0.257 176.311 176.600 -0.052 0.000 1.033 4 K CA -0.522 55.729 56.287 -0.060 0.000 1.007 4 K CB 1.265 33.734 32.500 -0.051 0.000 1.330 4 K HN 0.949 nan 8.250 nan 0.000 0.507 5 I N 0.826 121.359 120.570 -0.061 0.000 2.637 5 I HA 0.188 4.358 4.170 0.000 0.000 0.285 5 I C -1.531 174.548 176.117 -0.063 0.000 1.222 5 I CA -0.504 60.770 61.300 -0.043 0.000 1.067 5 I CB 0.750 38.724 38.000 -0.043 0.000 1.279 5 I HN 0.355 nan 8.210 nan 0.000 0.441 6 L N 7.180 128.375 121.223 -0.047 0.000 2.418 6 L HA 0.670 5.011 4.340 0.000 0.000 0.265 6 L C -0.686 176.099 176.870 -0.143 0.000 1.143 6 L CA -0.701 54.053 54.840 -0.143 0.000 0.809 6 L CB 1.647 43.674 42.059 -0.052 0.000 1.124 6 L HN 0.361 nan 8.230 nan 0.000 0.456 7 V N 2.130 121.812 119.914 -0.387 0.000 2.752 7 V HA 0.395 4.515 4.120 0.000 0.000 0.302 7 V C -0.815 175.036 176.094 -0.405 0.000 1.133 7 V CA -0.550 61.632 62.300 -0.197 0.000 0.919 7 V CB 1.756 33.521 31.823 -0.096 0.000 1.026 7 V HN 0.426 nan 8.190 nan 0.000 0.429 8 F N 0.670 120.622 119.950 0.003 0.000 2.611 8 F HA 0.622 5.148 4.527 -0.000 0.000 0.374 8 F C 1.229 177.031 175.800 0.003 0.000 1.110 8 F CA -0.602 57.400 58.000 0.002 0.000 1.090 8 F CB 0.316 39.316 39.000 0.001 0.000 1.388 8 F HN 0.588 nan 8.300 nan 0.000 0.501 9 D N 0.188 120.728 120.400 0.232 0.000 3.577 9 D HA -0.338 4.303 4.640 0.000 0.000 0.166 9 D C 1.422 177.767 176.300 0.075 0.000 1.039 9 D CA 1.667 55.740 54.000 0.121 0.000 0.860 9 D CB -0.597 40.264 40.800 0.102 0.000 0.456 9 D HN 0.771 nan 8.370 nan 0.000 0.418 10 E N 0.751 120.985 120.200 0.058 0.000 2.130 10 E HA -0.205 4.145 4.350 0.000 0.000 0.196 10 E C 2.116 178.739 176.600 0.039 0.000 0.998 10 E CA 1.400 57.824 56.400 0.040 0.000 0.806 10 E CB -0.226 29.493 29.700 0.032 0.000 0.738 10 E HN 0.432 nan 8.360 nan 0.000 0.459 11 A N 1.245 124.096 122.820 0.053 0.000 1.884 11 A HA -0.271 4.049 4.320 0.000 0.000 0.219 11 A C 2.374 179.976 177.584 0.030 0.000 1.197 11 A CA 2.387 54.452 52.037 0.047 0.000 0.637 11 A CB -0.948 18.095 19.000 0.071 0.000 0.827 11 A HN 0.411 nan 8.150 nan 0.000 0.450 12 A N -0.594 122.242 122.820 0.025 0.000 1.841 12 A HA -0.150 4.170 4.320 0.000 0.000 0.214 12 A C 2.220 179.804 177.584 0.001 0.000 1.195 12 A CA 1.593 53.627 52.037 -0.005 0.000 0.611 12 A CB -0.555 18.425 19.000 -0.034 0.000 0.835 12 A HN 0.545 nan 8.150 nan 0.000 0.443 13 R N -0.985 119.520 120.500 0.009 0.000 2.117 13 R HA -0.121 4.219 4.340 0.000 0.000 0.243 13 R C 2.354 178.659 176.300 0.009 0.000 1.143 13 R CA 1.394 57.500 56.100 0.009 0.000 0.968 13 R CB -0.269 30.040 30.300 0.014 0.000 0.863 13 R HN 0.322 nan 8.270 nan 0.000 0.444 14 R N 0.219 120.727 120.500 0.013 0.000 2.075 14 R HA 0.009 4.349 4.340 0.000 0.000 0.232 14 R C 2.195 178.500 176.300 0.009 0.000 1.126 14 R CA 1.395 57.502 56.100 0.012 0.000 0.963 14 R CB -0.769 29.540 30.300 0.015 0.000 0.858 14 R HN 0.245 nan 8.270 nan 0.000 0.435 15 A N 1.443 124.269 122.820 0.009 0.000 1.865 15 A HA -0.126 4.194 4.320 0.000 0.000 0.217 15 A C 2.414 180.001 177.584 0.005 0.000 1.191 15 A CA 1.221 53.262 52.037 0.007 0.000 0.623 15 A CB -0.699 18.305 19.000 0.006 0.000 0.826 15 A HN 0.187 nan 8.150 nan 0.000 0.444 16 L N -0.767 120.458 121.223 0.002 0.000 2.012 16 L HA -0.255 4.085 4.340 0.000 0.000 0.210 16 L C 2.724 179.596 176.870 0.003 0.000 1.073 16 L CA 2.032 56.873 54.840 0.001 0.000 0.748 16 L CB -0.645 41.413 42.059 -0.001 0.000 0.891 16 L HN 0.657 nan 8.230 nan 0.000 0.431 17 E N 0.495 120.698 120.200 0.004 0.000 2.097 17 E HA -0.274 4.076 4.350 0.000 0.000 0.196 17 E C 2.327 178.930 176.600 0.004 0.000 1.000 17 E CA 1.325 57.728 56.400 0.004 0.000 0.804 17 E CB 0.040 29.743 29.700 0.006 0.000 0.740 17 E HN 0.353 nan 8.360 nan 0.000 0.454 18 R N -0.364 120.138 120.500 0.004 0.000 2.096 18 R HA -0.141 4.199 4.340 0.000 0.000 0.240 18 R C 2.547 178.848 176.300 0.001 0.000 1.139 18 R CA 1.397 57.499 56.100 0.003 0.000 0.952 18 R CB -0.616 29.686 30.300 0.003 0.000 0.854 18 R HN 0.325 nan 8.270 nan 0.000 0.436 19 G N 0.250 109.050 108.800 0.001 0.000 2.421 19 G HA2 -0.226 3.734 3.960 0.000 0.000 0.216 19 G HA3 -0.226 3.734 3.960 0.000 0.000 0.216 19 G C 1.476 176.376 174.900 -0.001 0.000 1.171 19 G CA 0.853 45.953 45.100 -0.001 0.000 0.775 19 G HN 0.147 nan 8.290 nan 0.000 0.543 20 V N 1.665 121.579 119.914 0.001 0.000 2.282 20 V HA -0.272 3.848 4.120 0.000 0.000 0.249 20 V C 2.704 178.798 176.094 0.001 0.000 1.057 20 V CA 2.075 64.375 62.300 0.001 0.000 1.032 20 V CB -0.470 31.354 31.823 0.002 0.000 0.645 20 V HN 0.367 nan 8.190 nan 0.000 0.447 21 N N 0.131 118.832 118.700 0.001 0.000 2.142 21 N HA -0.109 4.631 4.740 0.000 0.000 0.186 21 N C 1.986 177.496 175.510 0.000 0.000 1.023 21 N CA 1.593 54.644 53.050 0.001 0.000 0.852 21 N CB -0.470 38.018 38.487 0.002 0.000 0.998 21 N HN 0.488 nan 8.380 nan 0.000 0.424 22 A N 1.257 124.077 122.820 -0.001 0.000 1.884 22 A HA -0.177 4.144 4.320 0.000 0.000 0.219 22 A C 2.571 180.153 177.584 -0.003 0.000 1.197 22 A CA 1.977 54.012 52.037 -0.003 0.000 0.637 22 A CB -1.009 17.988 19.000 -0.006 0.000 0.827 22 A HN 0.117 nan 8.150 nan 0.000 0.450 23 V N -0.406 119.507 119.914 -0.003 0.000 2.229 23 V HA -0.209 3.911 4.120 0.000 0.000 0.243 23 V C 3.087 179.181 176.094 -0.001 0.000 1.042 23 V CA 2.068 64.366 62.300 -0.002 0.000 1.000 23 V CB -1.493 30.329 31.823 -0.001 0.000 0.637 23 V HN 0.666 nan 8.190 nan 0.000 0.446 24 A N 0.574 123.394 122.820 0.001 0.000 1.927 24 A HA -0.308 4.012 4.320 0.000 0.000 0.220 24 A C 2.024 179.610 177.584 0.002 0.000 1.185 24 A CA 2.436 54.474 52.037 0.002 0.000 0.639 24 A CB -0.810 18.192 19.000 0.003 0.000 0.820 24 A HN 0.643 nan 8.150 nan 0.000 0.451 25 N N -0.104 118.597 118.700 0.002 0.000 2.270 25 N HA -0.029 4.712 4.740 0.000 0.000 0.181 25 N C 1.812 177.323 175.510 0.001 0.000 1.016 25 N CA 1.378 54.429 53.050 0.002 0.000 0.870 25 N CB -0.441 38.047 38.487 0.001 0.000 0.979 25 N HN 0.515 nan 8.380 nan 0.000 0.431 26 A N 0.450 123.270 122.820 -0.000 0.000 1.970 26 A HA 0.032 4.352 4.320 0.000 0.000 0.216 26 A C 2.444 180.027 177.584 -0.001 0.000 1.170 26 A CA 0.742 52.778 52.037 -0.001 0.000 0.645 26 A CB -0.352 18.646 19.000 -0.003 0.000 0.816 26 A HN 0.073 nan 8.150 nan 0.000 0.447 27 V N 1.379 121.293 119.914 0.000 0.000 2.346 27 V HA -0.235 3.885 4.120 0.000 0.000 0.244 27 V C 2.488 178.584 176.094 0.002 0.000 1.037 27 V CA 2.126 64.427 62.300 0.001 0.000 1.029 27 V CB -0.711 31.113 31.823 0.001 0.000 0.663 27 V HN 0.819 nan 8.190 nan 0.000 0.454 28 K N 1.742 122.144 120.400 0.004 0.000 2.281 28 K HA -0.132 4.188 4.320 0.000 0.000 0.203 28 K C 1.758 178.362 176.600 0.007 0.000 1.046 28 K CA 1.768 58.059 56.287 0.005 0.000 0.938 28 K CB -0.887 31.616 32.500 0.006 0.000 0.737 28 K HN 0.508 nan 8.250 nan 0.000 0.458 29 V N 0.022 119.940 119.914 0.007 0.000 3.383 29 V HA -0.091 4.029 4.120 0.000 0.000 0.272 29 V C 1.786 177.884 176.094 0.008 0.000 1.181 29 V CA 1.598 63.903 62.300 0.009 0.000 1.171 29 V CB -1.064 30.764 31.823 0.007 0.000 0.800 29 V HN 0.589 nan 8.190 nan 0.000 0.515 30 T N -3.015 111.542 114.554 0.005 0.000 2.985 30 T HA 0.314 4.664 4.350 0.000 0.000 0.254 30 T C 0.515 175.216 174.700 0.001 0.000 1.021 30 T CA -0.119 61.983 62.100 0.003 0.000 0.957 30 T CB -0.048 68.820 68.868 0.000 0.000 1.047 30 T HN 0.364 nan 8.240 nan 0.000 0.511 31 L N 2.892 124.117 121.223 0.002 0.000 2.525 31 L HA 0.459 4.799 4.340 0.000 0.000 0.278 31 L C 0.902 177.769 176.870 -0.005 0.000 1.218 31 L CA 2.061 56.901 54.840 -0.001 0.000 0.878 31 L CB -0.559 41.501 42.059 0.001 0.000 1.127 31 L HN 0.784 nan 8.230 nan 0.000 0.492 32 G N 3.584 112.376 108.800 -0.014 0.000 2.712 32 G HA2 -0.171 3.789 3.960 0.000 0.000 0.683 32 G HA3 -0.171 3.789 3.960 0.000 0.000 0.683 32 G C -1.853 173.028 174.900 -0.032 0.000 1.320 32 G CA -0.435 44.648 45.100 -0.028 0.000 0.847 32 G HN 0.539 nan 8.290 nan 0.000 0.553 33 P HA -0.010 nan 4.420 nan 0.000 0.221 33 P C 1.099 178.376 177.300 -0.039 0.000 1.145 33 P CA 1.107 64.172 63.100 -0.058 0.000 0.795 33 P CB 0.111 31.750 31.700 -0.101 0.000 0.775 34 R N -0.731 119.754 120.500 -0.026 0.000 2.776 34 R HA 0.318 4.658 4.340 0.000 0.000 0.391 34 R C 0.593 176.898 176.300 0.009 0.000 1.116 34 R CA -0.369 55.730 56.100 -0.003 0.000 1.056 34 R CB -0.030 30.280 30.300 0.016 0.000 1.369 34 R HN 0.041 nan 8.270 nan 0.000 0.590 35 G N 1.297 110.098 108.800 0.002 0.000 2.562 35 G HA2 -0.001 3.959 3.960 0.000 0.000 0.233 35 G HA3 -0.001 3.959 3.960 0.000 0.000 0.233 35 G C 0.310 175.215 174.900 0.008 0.000 1.266 35 G CA -0.287 44.816 45.100 0.006 0.000 0.852 35 G HN 0.092 nan 8.290 nan 0.000 0.581 36 R N 0.399 120.905 120.500 0.010 0.000 2.541 36 R HA 0.159 4.499 4.340 0.000 0.000 0.263 36 R C 0.298 176.600 176.300 0.003 0.000 1.112 36 R CA -0.560 55.546 56.100 0.010 0.000 1.170 36 R CB 0.286 30.594 30.300 0.012 0.000 1.167 36 R HN 0.678 nan 8.270 nan 0.000 0.582 37 N N -0.651 118.049 118.700 0.001 0.000 2.499 37 N HA 0.241 4.981 4.740 0.000 0.000 0.281 37 N C -0.937 174.571 175.510 -0.004 0.000 1.098 37 N CA -0.378 52.670 53.050 -0.003 0.000 0.979 37 N CB 1.287 39.771 38.487 -0.004 0.000 1.121 37 N HN 0.056 nan 8.380 nan 0.000 0.466 38 V N 2.522 122.432 119.914 -0.006 0.000 2.540 38 V HA 0.306 4.426 4.120 0.000 0.000 0.302 38 V C -0.170 175.919 176.094 -0.009 0.000 1.035 38 V CA -0.796 61.500 62.300 -0.007 0.000 0.873 38 V CB 1.902 33.721 31.823 -0.007 0.000 0.992 38 V HN 0.321 nan 8.190 nan 0.000 0.428 39 V N 6.361 126.269 119.914 -0.009 0.000 2.407 39 V HA 0.496 4.616 4.120 0.000 0.000 0.278 39 V C -0.503 175.585 176.094 -0.011 0.000 1.037 39 V CA -0.408 61.886 62.300 -0.010 0.000 0.900 39 V CB 1.390 33.207 31.823 -0.009 0.000 0.983 39 V HN 0.580 nan 8.190 nan 0.000 0.459 40 L N 5.039 126.255 121.223 -0.011 0.000 2.362 40 L HA 0.540 4.880 4.340 0.000 0.000 0.275 40 L C -0.019 176.845 176.870 -0.009 0.000 0.998 40 L CA -0.359 54.474 54.840 -0.011 0.000 0.820 40 L CB 1.884 43.937 42.059 -0.010 0.000 1.270 40 L HN 0.818 nan 8.230 nan 0.000 0.415 41 E N 2.981 123.174 120.200 -0.011 0.000 2.191 41 E HA 0.507 4.857 4.350 0.000 0.000 0.278 41 E C -1.075 175.522 176.600 -0.005 0.000 0.972 41 E CA -0.986 55.408 56.400 -0.010 0.000 0.804 41 E CB 1.424 31.112 29.700 -0.019 0.000 1.110 41 E HN 0.185 nan 8.360 nan 0.000 0.394 42 K N 3.289 123.694 120.400 0.007 0.000 2.156 42 K HA 0.188 4.509 4.320 0.000 0.000 0.271 42 K C 0.523 177.138 176.600 0.025 0.000 0.995 42 K CA -0.582 55.726 56.287 0.035 0.000 0.890 42 K CB 1.432 33.966 32.500 0.058 0.000 1.073 42 K HN 0.569 nan 8.250 nan 0.000 0.454 43 K N 1.163 121.579 120.400 0.025 0.000 2.089 43 K HA -0.181 4.140 4.320 0.000 0.000 0.210 43 K C 1.356 177.778 176.600 -0.297 0.000 1.048 43 K CA 1.931 58.128 56.287 -0.150 0.000 0.926 43 K CB -0.133 32.248 32.500 -0.198 0.000 0.714 43 K HN 0.356 nan 8.250 nan 0.000 0.448 44 F N 0.001 119.940 119.950 -0.018 0.000 2.387 44 F HA 0.183 4.710 4.527 0.001 0.000 0.278 44 F C 1.813 177.604 175.800 -0.016 0.000 1.010 44 F CA -0.014 57.977 58.000 -0.016 0.000 1.236 44 F CB -1.113 37.878 39.000 -0.016 0.000 1.137 44 F HN -0.058 nan 8.300 nan 0.000 0.604 45 G N 0.519 109.442 108.800 0.205 0.000 2.716 45 G HA2 0.309 4.270 3.960 0.000 0.000 0.251 45 G HA3 0.309 4.270 3.960 0.000 0.000 0.251 45 G C 0.209 175.140 174.900 0.052 0.000 1.224 45 G CA 0.017 45.174 45.100 0.096 0.000 0.891 45 G HN 0.372 nan 8.290 nan 0.000 0.561 46 S N 0.876 116.594 115.700 0.029 0.000 2.626 46 S HA 0.434 4.905 4.470 0.000 0.000 0.257 46 S C -1.873 172.731 174.600 0.007 0.000 1.288 46 S CA -0.832 57.375 58.200 0.012 0.000 0.980 46 S CB 0.998 64.202 63.200 0.006 0.000 0.975 46 S HN 0.632 nan 8.310 nan 0.000 0.577 47 P HA 0.241 nan 4.420 nan 0.000 0.271 47 P C -0.645 176.651 177.300 -0.006 0.000 1.233 47 P CA -0.129 62.968 63.100 -0.005 0.000 0.789 47 P CB 0.248 31.943 31.700 -0.008 0.000 0.951 48 T N 1.239 115.788 114.554 -0.008 0.000 2.908 48 T HA 0.667 5.017 4.350 0.000 0.000 0.290 48 T C 0.080 174.771 174.700 -0.014 0.000 1.034 48 T CA -0.518 61.575 62.100 -0.012 0.000 1.010 48 T CB 0.919 69.779 68.868 -0.013 0.000 1.068 48 T HN 0.443 nan 8.240 nan 0.000 0.481 49 I N -0.580 119.980 120.570 -0.017 0.000 2.545 49 I HA 0.840 5.010 4.170 0.000 0.000 0.292 49 I C -0.652 175.452 176.117 -0.021 0.000 1.040 49 I CA -0.556 60.734 61.300 -0.016 0.000 1.068 49 I CB 2.337 40.328 38.000 -0.015 0.000 1.251 49 I HN 0.496 nan 8.210 nan 0.000 0.424 50 T N 3.639 118.182 114.554 -0.019 0.000 2.742 50 T HA 0.551 4.901 4.350 0.000 0.000 0.282 50 T C 0.063 174.752 174.700 -0.018 0.000 1.025 50 T CA -0.796 61.290 62.100 -0.023 0.000 1.020 50 T CB 2.088 70.942 68.868 -0.023 0.000 1.317 50 T HN 0.722 nan 8.240 nan 0.000 0.538 51 K N -0.088 120.301 120.400 -0.019 0.000 2.614 51 K HA 0.155 4.475 4.320 0.000 0.000 0.190 51 K C -0.959 175.635 176.600 -0.010 0.000 1.255 51 K CA -0.183 56.096 56.287 -0.012 0.000 1.099 51 K CB 0.819 33.311 32.500 -0.013 0.000 1.023 51 K HN 0.498 nan 8.250 nan 0.000 0.576 52 D N 0.100 120.492 120.400 -0.013 0.000 2.303 52 D HA 0.151 4.791 4.640 0.000 0.000 0.236 52 D C 0.893 177.191 176.300 -0.003 0.000 1.068 52 D CA -0.097 53.899 54.000 -0.007 0.000 0.830 52 D CB 1.789 42.579 40.800 -0.017 0.000 1.109 52 D HN 0.219 nan 8.370 nan 0.000 0.496 53 G N 2.827 111.628 108.800 0.003 0.000 2.446 53 G HA2 -0.217 3.743 3.960 0.000 0.000 0.217 53 G HA3 -0.217 3.743 3.960 0.000 0.000 0.217 53 G C 1.577 176.479 174.900 0.003 0.000 1.168 53 G CA 1.082 46.184 45.100 0.003 0.000 0.771 53 G HN 0.493 nan 8.290 nan 0.000 0.551 54 V N 0.952 120.871 119.914 0.008 0.000 2.332 54 V HA -0.200 3.920 4.120 0.000 0.000 0.248 54 V C 3.053 179.149 176.094 0.004 0.000 1.055 54 V CA 2.341 64.646 62.300 0.009 0.000 1.038 54 V CB -1.345 30.489 31.823 0.019 0.000 0.651 54 V HN 0.373 nan 8.190 nan 0.000 0.450 55 T N 0.519 115.072 114.554 -0.001 0.000 2.684 55 T HA -0.165 4.185 4.350 0.000 0.000 0.267 55 T C 1.986 176.681 174.700 -0.008 0.000 1.036 55 T CA 1.821 63.916 62.100 -0.009 0.000 1.148 55 T CB -0.319 68.537 68.868 -0.020 0.000 0.863 55 T HN 0.323 nan 8.240 nan 0.000 0.436 56 V N 1.850 121.760 119.914 -0.007 0.000 2.295 56 V HA -0.154 3.966 4.120 0.000 0.000 0.246 56 V C 2.948 179.039 176.094 -0.005 0.000 1.049 56 V CA 1.614 63.910 62.300 -0.007 0.000 1.024 56 V CB -1.379 30.441 31.823 -0.006 0.000 0.648 56 V HN 0.532 nan 8.190 nan 0.000 0.447 57 A N -0.113 122.706 122.820 -0.002 0.000 1.927 57 A HA -0.320 4.000 4.320 0.000 0.000 0.220 57 A C 2.294 179.877 177.584 -0.001 0.000 1.185 57 A CA 2.400 54.437 52.037 -0.001 0.000 0.639 57 A CB -0.561 18.440 19.000 0.002 0.000 0.820 57 A HN 0.564 nan 8.150 nan 0.000 0.451 58 K N -0.654 119.746 120.400 -0.000 0.000 2.063 58 K HA -0.141 4.179 4.320 0.000 0.000 0.208 58 K C 1.541 178.138 176.600 -0.004 0.000 1.048 58 K CA 1.375 57.662 56.287 -0.000 0.000 0.928 58 K CB -0.123 32.377 32.500 0.000 0.000 0.713 58 K HN 0.387 nan 8.250 nan 0.000 0.442 59 E N 0.574 120.770 120.200 -0.006 0.000 2.511 59 E HA -0.022 4.328 4.350 0.000 0.000 0.196 59 E C -0.157 176.437 176.600 -0.010 0.000 1.066 59 E CA 0.275 56.671 56.400 -0.008 0.000 0.871 59 E CB 0.153 29.848 29.700 -0.008 0.000 0.863 59 E HN -0.018 nan 8.360 nan 0.000 0.520 60 V N 2.060 121.968 119.914 -0.009 0.000 2.372 60 V HA 0.155 4.275 4.120 0.000 0.000 0.261 60 V C 0.102 176.188 176.094 -0.013 0.000 1.055 60 V CA -0.119 62.175 62.300 -0.011 0.000 0.930 60 V CB 0.643 32.461 31.823 -0.008 0.000 1.031 60 V HN 0.022 nan 8.190 nan 0.000 0.479 61 E N 5.123 125.311 120.200 -0.019 0.000 2.274 61 E HA 0.503 4.853 4.350 0.000 0.000 0.269 61 E C -1.302 175.277 176.600 -0.036 0.000 0.891 61 E CA -0.665 55.719 56.400 -0.026 0.000 0.784 61 E CB 1.448 31.131 29.700 -0.027 0.000 1.225 61 E HN 0.598 nan 8.360 nan 0.000 0.412 62 L N 3.672 124.870 121.223 -0.042 0.000 2.399 62 L HA 0.338 4.678 4.340 0.000 0.000 0.266 62 L C 1.437 178.261 176.870 -0.077 0.000 1.114 62 L CA -0.497 54.315 54.840 -0.048 0.000 0.804 62 L CB 0.964 43.002 42.059 -0.036 0.000 1.146 62 L HN 0.706 nan 8.230 nan 0.000 0.451 63 E N 0.283 120.441 120.200 -0.070 0.000 2.047 63 E HA -0.155 4.195 4.350 0.000 0.000 0.191 63 E C 0.365 176.890 176.600 -0.125 0.000 0.987 63 E CA 0.826 57.171 56.400 -0.092 0.000 0.799 63 E CB 0.111 29.776 29.700 -0.057 0.000 0.752 63 E HN 0.605 nan 8.360 nan 0.000 0.449 64 D N 0.040 120.396 120.400 -0.074 0.000 2.383 64 D HA -0.070 4.570 4.640 0.000 0.000 0.252 64 D C 0.885 177.154 176.300 -0.052 0.000 1.166 64 D CA 0.157 54.131 54.000 -0.043 0.000 0.879 64 D CB 0.671 41.468 40.800 -0.005 0.000 1.164 64 D HN 0.171 nan 8.370 nan 0.000 0.462 65 H N 3.890 122.956 119.070 -0.007 0.000 2.265 65 H HA -0.160 4.396 4.556 -0.000 0.000 0.295 65 H C 1.990 177.311 175.328 -0.012 0.000 1.084 65 H CA 1.292 57.335 56.048 -0.009 0.000 1.261 65 H CB 0.168 29.924 29.762 -0.010 0.000 1.360 65 H HN 0.501 nan 8.280 nan 0.000 0.487 66 L N 0.668 121.964 121.223 0.122 0.000 1.989 66 L HA -0.204 4.136 4.340 0.000 0.000 0.211 66 L C 2.581 179.468 176.870 0.029 0.000 1.071 66 L CA 1.468 56.340 54.840 0.054 0.000 0.749 66 L CB -0.492 41.585 42.059 0.030 0.000 0.890 66 L HN 0.333 nan 8.230 nan 0.000 0.431 67 E N -0.087 120.125 120.200 0.020 0.000 2.118 67 E HA -0.255 4.095 4.350 0.000 0.000 0.195 67 E C 1.862 178.463 176.600 0.001 0.000 0.992 67 E CA 1.475 57.879 56.400 0.006 0.000 0.804 67 E CB -0.268 29.432 29.700 -0.000 0.000 0.741 67 E HN 0.435 nan 8.360 nan 0.000 0.458 68 N N 1.250 119.947 118.700 -0.004 0.000 2.084 68 N HA -0.144 4.596 4.740 0.000 0.000 0.190 68 N C 1.779 177.293 175.510 0.005 0.000 1.030 68 N CA 0.987 54.030 53.050 -0.012 0.000 0.849 68 N CB -0.130 38.333 38.487 -0.040 0.000 1.012 68 N HN 0.077 nan 8.380 nan 0.000 0.423 69 I N -0.150 120.433 120.570 0.022 0.000 2.185 69 I HA -0.290 3.880 4.170 0.000 0.000 0.246 69 I C 2.247 178.370 176.117 0.010 0.000 1.088 69 I CA 1.571 62.884 61.300 0.022 0.000 1.347 69 I CB -0.798 37.216 38.000 0.025 0.000 1.041 69 I HN 0.332 nan 8.210 nan 0.000 0.415 70 G N 0.100 108.904 108.800 0.006 0.000 2.402 70 G HA2 -0.167 3.793 3.960 0.000 0.000 0.216 70 G HA3 -0.167 3.793 3.960 0.000 0.000 0.216 70 G C 1.869 176.771 174.900 0.002 0.000 1.162 70 G CA 0.757 45.859 45.100 0.003 0.000 0.777 70 G HN 0.502 nan 8.290 nan 0.000 0.539 71 A N 0.266 123.086 122.820 0.001 0.000 1.865 71 A HA -0.118 4.202 4.320 0.000 0.000 0.217 71 A C 2.432 180.016 177.584 0.001 0.000 1.191 71 A CA 2.118 54.154 52.037 -0.001 0.000 0.623 71 A CB -0.468 18.529 19.000 -0.005 0.000 0.826 71 A HN 0.302 nan 8.150 nan 0.000 0.444 72 Q N -0.829 118.972 119.800 0.003 0.000 2.050 72 Q HA -0.151 4.189 4.340 0.000 0.000 0.202 72 Q C 2.094 178.097 176.000 0.006 0.000 0.980 72 Q CA 1.328 57.134 55.803 0.005 0.000 0.840 72 Q CB -0.907 27.836 28.738 0.009 0.000 0.898 72 Q HN 0.536 nan 8.270 nan 0.000 0.424 73 L N 0.451 121.677 121.223 0.005 0.000 2.081 73 L HA -0.188 4.153 4.340 0.000 0.000 0.212 73 L C 2.206 179.078 176.870 0.003 0.000 1.080 73 L CA 1.285 56.128 54.840 0.004 0.000 0.754 73 L CB -0.761 41.300 42.059 0.002 0.000 0.893 73 L HN 0.245 nan 8.230 nan 0.000 0.433 74 L N -0.776 120.449 121.223 0.003 0.000 1.988 74 L HA -0.190 4.150 4.340 0.000 0.000 0.207 74 L C 2.459 179.331 176.870 0.003 0.000 1.071 74 L CA 1.740 56.581 54.840 0.002 0.000 0.744 74 L CB -0.667 41.393 42.059 0.002 0.000 0.893 74 L HN 0.144 nan 8.230 nan 0.000 0.433 75 K N -0.408 119.994 120.400 0.003 0.000 2.059 75 K HA -0.224 4.096 4.320 0.000 0.000 0.212 75 K C 2.003 178.606 176.600 0.004 0.000 1.050 75 K CA 1.790 58.080 56.287 0.004 0.000 0.927 75 K CB -0.339 32.163 32.500 0.004 0.000 0.714 75 K HN 0.414 nan 8.250 nan 0.000 0.447 76 E N 0.574 120.777 120.200 0.005 0.000 2.007 76 E HA -0.186 4.164 4.350 0.000 0.000 0.203 76 E C 2.216 178.818 176.600 0.004 0.000 1.020 76 E CA 1.332 57.735 56.400 0.005 0.000 0.845 76 E CB -0.608 29.095 29.700 0.005 0.000 0.779 76 E HN 0.051 nan 8.360 nan 0.000 0.466 77 V N 1.806 121.722 119.914 0.003 0.000 2.453 77 V HA -0.294 3.826 4.120 0.000 0.000 0.252 77 V C 2.426 178.521 176.094 0.002 0.000 1.068 77 V CA 1.921 64.222 62.300 0.002 0.000 1.070 77 V CB -0.997 30.827 31.823 0.002 0.000 0.664 77 V HN 0.296 nan 8.190 nan 0.000 0.461 78 A N 0.836 123.658 122.820 0.003 0.000 1.873 78 A HA -0.195 4.125 4.320 0.000 0.000 0.215 78 A C 2.576 180.161 177.584 0.003 0.000 1.186 78 A CA 2.190 54.229 52.037 0.003 0.000 0.616 78 A CB -0.824 18.178 19.000 0.003 0.000 0.823 78 A HN 0.690 nan 8.150 nan 0.000 0.442 79 S N 1.118 116.819 115.700 0.003 0.000 2.399 79 S HA -0.208 4.262 4.470 0.000 0.000 0.231 79 S C 1.586 176.186 174.600 0.001 0.000 1.022 79 S CA 1.368 59.570 58.200 0.003 0.000 0.983 79 S CB -0.652 62.550 63.200 0.003 0.000 0.803 79 S HN 0.733 nan 8.310 nan 0.000 0.480 80 K N 1.038 121.439 120.400 0.001 0.000 2.773 80 K HA 0.109 4.429 4.320 0.000 0.000 0.222 80 K C 0.561 177.161 176.600 -0.000 0.000 0.985 80 K CA 0.905 57.192 56.287 -0.000 0.000 1.126 80 K CB -0.496 32.005 32.500 0.001 0.000 0.919 80 K HN 0.320 nan 8.250 nan 0.000 0.487 81 T N -0.364 114.190 114.554 -0.001 0.000 3.056 81 T HA -0.017 4.333 4.350 0.000 0.000 0.243 81 T C 1.396 176.094 174.700 -0.003 0.000 0.995 81 T CA -0.102 61.997 62.100 -0.001 0.000 1.091 81 T CB -0.082 68.786 68.868 -0.000 0.000 0.990 81 T HN 0.319 nan 8.240 nan 0.000 0.464 82 N N 1.655 120.354 118.700 -0.002 0.000 2.331 82 N HA -0.103 4.638 4.740 0.000 0.000 0.180 82 N C 0.787 176.292 175.510 -0.008 0.000 1.019 82 N CA 0.962 54.010 53.050 -0.004 0.000 0.881 82 N CB -0.090 38.398 38.487 0.001 0.000 0.972 82 N HN 0.210 nan 8.380 nan 0.000 0.435 83 D N -0.553 119.842 120.400 -0.007 0.000 2.310 83 D HA -0.020 4.620 4.640 0.000 0.000 0.212 83 D C 1.298 177.591 176.300 -0.011 0.000 0.965 83 D CA 0.562 54.555 54.000 -0.011 0.000 0.879 83 D CB 0.409 41.204 40.800 -0.009 0.000 0.921 83 D HN 0.137 nan 8.370 nan 0.000 0.510 84 V N -1.023 118.886 119.914 -0.008 0.000 3.432 84 V HA 0.470 4.590 4.120 0.000 0.000 0.298 84 V C 1.033 177.122 176.094 -0.008 0.000 1.464 84 V CA 0.504 62.800 62.300 -0.006 0.000 1.046 84 V CB 0.889 32.711 31.823 -0.001 0.000 0.887 84 V HN 0.164 nan 8.190 nan 0.000 0.441 85 A N -0.634 122.180 122.820 -0.010 0.000 2.736 85 A HA 0.540 4.860 4.320 0.000 0.000 0.222 85 A C 1.517 179.092 177.584 -0.016 0.000 1.267 85 A CA 0.645 52.675 52.037 -0.012 0.000 1.026 85 A CB 0.189 19.184 19.000 -0.008 0.000 1.281 85 A HN 1.255 nan 8.150 nan 0.000 0.577 86 G N -0.200 108.590 108.800 -0.017 0.000 2.225 86 G HA2 -0.092 3.868 3.960 0.000 0.000 0.267 86 G HA3 -0.092 3.868 3.960 0.000 0.000 0.267 86 G C -0.189 174.700 174.900 -0.018 0.000 1.024 86 G CA 1.268 46.355 45.100 -0.021 0.000 0.784 86 G HN 1.130 nan 8.290 nan 0.000 0.507 87 D N -3.474 116.920 120.400 -0.011 0.000 2.926 87 D HA 0.538 5.178 4.640 0.000 0.000 0.282 87 D C 0.812 177.110 176.300 -0.004 0.000 1.201 87 D CA 1.336 55.332 54.000 -0.007 0.000 0.735 87 D CB -0.306 40.487 40.800 -0.012 0.000 1.257 87 D HN 1.456 nan 8.370 nan 0.000 0.428 88 G N 0.003 108.802 108.800 -0.002 0.000 2.147 88 G HA2 -0.290 3.670 3.960 0.000 0.000 0.244 88 G HA3 -0.290 3.670 3.960 0.000 0.000 0.244 88 G C 0.995 175.895 174.900 0.001 0.000 1.005 88 G CA 1.218 46.318 45.100 -0.001 0.000 0.713 88 G HN 0.633 nan 8.290 nan 0.000 0.515 89 T N -0.838 113.718 114.554 0.003 0.000 2.857 89 T HA -0.013 4.337 4.350 0.000 0.000 0.266 89 T C 2.552 177.254 174.700 0.004 0.000 1.048 89 T CA 2.656 64.758 62.100 0.003 0.000 1.139 89 T CB -0.203 68.668 68.868 0.005 0.000 0.874 89 T HN 0.363 nan 8.240 nan 0.000 0.455 90 T N 1.022 115.579 114.554 0.004 0.000 2.737 90 T HA -0.063 4.287 4.350 0.000 0.000 0.265 90 T C 2.108 176.810 174.700 0.003 0.000 1.038 90 T CA 1.787 63.889 62.100 0.003 0.000 1.144 90 T CB -0.762 68.108 68.868 0.004 0.000 0.866 90 T HN 0.379 nan 8.240 nan 0.000 0.434 91 T N 1.897 116.452 114.554 0.002 0.000 2.737 91 T HA -0.108 4.242 4.350 0.000 0.000 0.269 91 T C 2.250 176.952 174.700 0.002 0.000 1.040 91 T CA 1.268 63.369 62.100 0.001 0.000 1.142 91 T CB -0.484 68.384 68.868 -0.000 0.000 0.861 91 T HN 0.422 nan 8.240 nan 0.000 0.456 92 A N 0.890 123.711 122.820 0.002 0.000 1.933 92 A HA -0.103 4.217 4.320 0.000 0.000 0.218 92 A C 2.534 180.119 177.584 0.003 0.000 1.175 92 A CA 2.028 54.066 52.037 0.003 0.000 0.628 92 A CB -1.064 17.937 19.000 0.002 0.000 0.814 92 A HN 0.493 nan 8.150 nan 0.000 0.444 93 T N -0.336 114.220 114.554 0.003 0.000 2.674 93 T HA -0.126 4.224 4.350 0.000 0.000 0.265 93 T C 1.895 176.597 174.700 0.004 0.000 1.039 93 T CA 1.539 63.641 62.100 0.003 0.000 1.150 93 T CB -0.550 68.320 68.868 0.003 0.000 0.864 93 T HN 0.138 nan 8.240 nan 0.000 0.427 94 V N 1.827 121.744 119.914 0.004 0.000 2.231 94 V HA -0.197 3.923 4.120 0.000 0.000 0.248 94 V C 2.571 178.668 176.094 0.005 0.000 1.054 94 V CA 1.763 64.065 62.300 0.005 0.000 1.015 94 V CB -0.810 31.016 31.823 0.005 0.000 0.638 94 V HN 0.444 nan 8.190 nan 0.000 0.444 95 L N -0.095 121.131 121.223 0.005 0.000 2.043 95 L HA -0.248 4.092 4.340 0.000 0.000 0.212 95 L C 2.702 179.575 176.870 0.005 0.000 1.075 95 L CA 1.770 56.613 54.840 0.005 0.000 0.752 95 L CB -0.915 41.147 42.059 0.005 0.000 0.891 95 L HN 0.411 nan 8.230 nan 0.000 0.432 96 A N -0.613 122.209 122.820 0.004 0.000 1.902 96 A HA -0.282 4.038 4.320 0.000 0.000 0.217 96 A C 2.284 179.871 177.584 0.004 0.000 1.181 96 A CA 1.852 53.891 52.037 0.004 0.000 0.623 96 A CB -0.593 18.409 19.000 0.004 0.000 0.818 96 A HN 0.496 nan 8.150 nan 0.000 0.443 97 Q N -0.493 119.310 119.800 0.004 0.000 2.030 97 Q HA -0.195 4.145 4.340 0.000 0.000 0.204 97 Q C 2.277 178.280 176.000 0.005 0.000 0.986 97 Q CA 1.938 57.744 55.803 0.005 0.000 0.843 97 Q CB -0.398 28.343 28.738 0.005 0.000 0.904 97 Q HN 0.604 nan 8.270 nan 0.000 0.420 98 A N 1.129 123.952 122.820 0.006 0.000 1.849 98 A HA -0.243 4.077 4.320 0.000 0.000 0.217 98 A C 2.043 179.631 177.584 0.006 0.000 1.202 98 A CA 1.890 53.931 52.037 0.006 0.000 0.629 98 A CB -1.105 17.899 19.000 0.007 0.000 0.834 98 A HN 0.539 nan 8.150 nan 0.000 0.447 99 I N -0.240 120.334 120.570 0.006 0.000 2.185 99 I HA -0.289 3.881 4.170 0.000 0.000 0.246 99 I C 2.350 178.471 176.117 0.006 0.000 1.088 99 I CA 1.620 62.924 61.300 0.006 0.000 1.347 99 I CB -0.567 37.437 38.000 0.006 0.000 1.041 99 I HN 0.191 nan 8.210 nan 0.000 0.415 100 V N 0.509 120.427 119.914 0.006 0.000 2.358 100 V HA -0.267 3.853 4.120 0.000 0.000 0.246 100 V C 2.601 178.699 176.094 0.006 0.000 1.047 100 V CA 1.805 64.108 62.300 0.006 0.000 1.035 100 V CB -0.769 31.056 31.823 0.005 0.000 0.658 100 V HN 0.382 nan 8.190 nan 0.000 0.452 101 R N 0.112 120.616 120.500 0.006 0.000 2.109 101 R HA -0.174 4.167 4.340 0.000 0.000 0.227 101 R C 2.474 178.778 176.300 0.007 0.000 1.132 101 R CA 1.920 58.024 56.100 0.006 0.000 0.907 101 R CB -0.331 29.973 30.300 0.006 0.000 0.825 101 R HN 0.434 nan 8.270 nan 0.000 0.432 102 E N -0.369 119.835 120.200 0.007 0.000 2.147 102 E HA -0.177 4.173 4.350 0.000 0.000 0.199 102 E C 1.858 178.463 176.600 0.007 0.000 1.005 102 E CA 1.458 57.862 56.400 0.007 0.000 0.810 102 E CB -0.637 29.067 29.700 0.007 0.000 0.736 102 E HN 0.634 nan 8.360 nan 0.000 0.460 103 G N 1.280 110.085 108.800 0.007 0.000 2.433 103 G HA2 -0.218 3.742 3.960 0.000 0.000 0.216 103 G HA3 -0.218 3.742 3.960 0.000 0.000 0.216 103 G C 1.737 176.642 174.900 0.008 0.000 1.186 103 G CA 0.695 45.799 45.100 0.007 0.000 0.779 103 G HN 0.212 nan 8.290 nan 0.000 0.543 104 L N 0.260 121.488 121.223 0.008 0.000 2.131 104 L HA -0.041 4.299 4.340 0.000 0.000 0.210 104 L C 2.798 179.673 176.870 0.009 0.000 1.092 104 L CA 1.372 56.218 54.840 0.009 0.000 0.759 104 L CB -0.340 41.725 42.059 0.009 0.000 0.903 104 L HN 0.274 nan 8.230 nan 0.000 0.435 105 K N 0.505 120.910 120.400 0.008 0.000 1.985 105 K HA -0.185 4.135 4.320 0.000 0.000 0.210 105 K C 1.920 178.524 176.600 0.008 0.000 1.047 105 K CA 1.557 57.849 56.287 0.008 0.000 0.932 105 K CB -0.038 32.466 32.500 0.007 0.000 0.716 105 K HN 0.289 nan 8.250 nan 0.000 0.439 106 N N 0.460 119.165 118.700 0.007 0.000 2.223 106 N HA -0.135 4.606 4.740 0.000 0.000 0.185 106 N C 1.780 177.295 175.510 0.008 0.000 1.016 106 N CA 1.161 54.215 53.050 0.007 0.000 0.863 106 N CB 0.016 38.507 38.487 0.007 0.000 0.983 106 N HN 0.060 nan 8.380 nan 0.000 0.429 107 V N 1.445 121.364 119.914 0.009 0.000 2.427 107 V HA -0.121 3.999 4.120 0.000 0.000 0.248 107 V C 2.320 178.420 176.094 0.011 0.000 1.051 107 V CA 1.576 63.882 62.300 0.010 0.000 1.048 107 V CB -0.621 31.209 31.823 0.012 0.000 0.666 107 V HN 0.261 nan 8.190 nan 0.000 0.456 108 A N -0.336 122.490 122.820 0.010 0.000 2.119 108 A HA 0.212 4.533 4.320 0.000 0.000 0.217 108 A C 2.078 179.667 177.584 0.009 0.000 1.153 108 A CA 1.282 53.325 52.037 0.010 0.000 0.692 108 A CB -0.315 18.691 19.000 0.010 0.000 0.799 108 A HN 0.542 nan 8.150 nan 0.000 0.458 109 A N -1.895 120.930 122.820 0.008 0.000 2.345 109 A HA 0.463 4.783 4.320 0.000 0.000 0.225 109 A C 1.534 179.122 177.584 0.006 0.000 1.243 109 A CA 0.991 53.032 52.037 0.007 0.000 0.875 109 A CB -0.607 18.396 19.000 0.006 0.000 0.929 109 A HN 1.685 nan 8.150 nan 0.000 0.502 110 G N -1.889 106.915 108.800 0.007 0.000 2.179 110 G HA2 0.132 4.092 3.960 0.000 0.000 0.220 110 G HA3 0.132 4.092 3.960 0.000 0.000 0.220 110 G C 0.456 175.360 174.900 0.007 0.000 0.990 110 G CA 0.074 45.178 45.100 0.007 0.000 0.646 110 G HN 1.522 nan 8.290 nan 0.000 0.517 111 A N -0.053 122.771 122.820 0.007 0.000 2.445 111 A HA 0.585 4.905 4.320 0.000 0.000 0.242 111 A C 0.465 178.053 177.584 0.008 0.000 1.075 111 A CA 0.569 52.610 52.037 0.007 0.000 0.777 111 A CB 0.276 19.280 19.000 0.007 0.000 1.013 111 A HN 0.935 nan 8.150 nan 0.000 0.493 112 N N 2.072 120.776 118.700 0.007 0.000 2.430 112 N HA 0.286 5.027 4.740 0.000 0.000 0.265 112 N C -1.928 173.587 175.510 0.008 0.000 1.100 112 N CA -1.763 51.292 53.050 0.008 0.000 0.961 112 N CB 0.958 39.449 38.487 0.007 0.000 1.075 112 N HN 0.187 nan 8.380 nan 0.000 0.478 113 P HA -0.204 nan 4.420 nan 0.000 0.213 113 P C 1.332 178.637 177.300 0.008 0.000 1.170 113 P CA 1.400 64.506 63.100 0.010 0.000 0.902 113 P CB 0.159 31.866 31.700 0.012 0.000 0.789 114 L N -1.137 120.091 121.223 0.008 0.000 2.013 114 L HA -0.242 4.098 4.340 0.000 0.000 0.212 114 L C 2.517 179.391 176.870 0.006 0.000 1.073 114 L CA 1.965 56.809 54.840 0.007 0.000 0.753 114 L CB -1.498 40.565 42.059 0.007 0.000 0.890 114 L HN -0.020 nan 8.230 nan 0.000 0.432 115 A N 0.193 123.016 122.820 0.006 0.000 1.902 115 A HA -0.158 4.162 4.320 0.000 0.000 0.217 115 A C 2.294 179.882 177.584 0.005 0.000 1.181 115 A CA 1.401 53.441 52.037 0.005 0.000 0.623 115 A CB -0.675 18.328 19.000 0.005 0.000 0.818 115 A HN 0.357 nan 8.150 nan 0.000 0.443 116 L N -0.707 120.519 121.223 0.006 0.000 2.012 116 L HA -0.243 4.097 4.340 0.000 0.000 0.210 116 L C 2.638 179.511 176.870 0.006 0.000 1.073 116 L CA 2.089 56.933 54.840 0.006 0.000 0.748 116 L CB -0.467 41.596 42.059 0.007 0.000 0.891 116 L HN 0.496 nan 8.230 nan 0.000 0.431 117 K N 0.548 120.951 120.400 0.006 0.000 1.978 117 K HA -0.222 4.098 4.320 0.000 0.000 0.214 117 K C 2.234 178.837 176.600 0.005 0.000 1.049 117 K CA 1.661 57.951 56.287 0.005 0.000 0.939 117 K CB -0.088 32.415 32.500 0.005 0.000 0.721 117 K HN 0.117 nan 8.250 nan 0.000 0.441 118 R N -0.452 120.051 120.500 0.004 0.000 2.153 118 R HA -0.184 4.157 4.340 0.000 0.000 0.252 118 R C 2.453 178.755 176.300 0.004 0.000 1.158 118 R CA 1.604 57.706 56.100 0.004 0.000 0.975 118 R CB -0.722 29.580 30.300 0.004 0.000 0.871 118 R HN 0.469 nan 8.270 nan 0.000 0.450 119 G N 0.836 109.639 108.800 0.005 0.000 2.394 119 G HA2 -0.151 3.809 3.960 0.000 0.000 0.215 119 G HA3 -0.151 3.809 3.960 0.000 0.000 0.215 119 G C 1.460 176.363 174.900 0.005 0.000 1.165 119 G CA 0.374 45.477 45.100 0.005 0.000 0.784 119 G HN 0.164 nan 8.290 nan 0.000 0.535 120 I N 0.782 121.355 120.570 0.005 0.000 2.286 120 I HA -0.158 4.012 4.170 0.000 0.000 0.248 120 I C 2.718 178.838 176.117 0.005 0.000 1.115 120 I CA 1.166 62.469 61.300 0.005 0.000 1.392 120 I CB -0.238 37.765 38.000 0.005 0.000 1.065 120 I HN 0.294 nan 8.210 nan 0.000 0.418 121 E N 1.220 121.423 120.200 0.005 0.000 2.028 121 E HA -0.204 4.146 4.350 0.000 0.000 0.191 121 E C 2.145 178.748 176.600 0.004 0.000 0.988 121 E CA 1.047 57.449 56.400 0.004 0.000 0.799 121 E CB -0.136 29.566 29.700 0.003 0.000 0.755 121 E HN 0.450 nan 8.360 nan 0.000 0.447 122 K N 0.856 121.259 120.400 0.004 0.000 2.103 122 K HA -0.158 4.162 4.320 0.000 0.000 0.207 122 K C 2.247 178.850 176.600 0.005 0.000 1.048 122 K CA 1.122 57.412 56.287 0.005 0.000 0.930 122 K CB -0.218 32.284 32.500 0.005 0.000 0.716 122 K HN 0.069 nan 8.250 nan 0.000 0.444 123 A N 1.289 124.112 122.820 0.006 0.000 1.858 123 A HA -0.138 4.182 4.320 0.000 0.000 0.216 123 A C 2.457 180.045 177.584 0.007 0.000 1.190 123 A CA 1.550 53.590 52.037 0.007 0.000 0.617 123 A CB -0.827 18.177 19.000 0.007 0.000 0.827 123 A HN 0.066 nan 8.150 nan 0.000 0.443 124 V N 0.190 120.107 119.914 0.006 0.000 2.282 124 V HA -0.332 3.788 4.120 0.000 0.000 0.249 124 V C 2.434 178.531 176.094 0.006 0.000 1.057 124 V CA 2.467 64.770 62.300 0.006 0.000 1.032 124 V CB -0.974 30.852 31.823 0.005 0.000 0.645 124 V HN 0.649 nan 8.190 nan 0.000 0.447 125 E N 0.126 120.329 120.200 0.006 0.000 2.026 125 E HA -0.331 4.019 4.350 0.000 0.000 0.206 125 E C 2.332 178.935 176.600 0.006 0.000 1.028 125 E CA 1.677 58.081 56.400 0.005 0.000 0.845 125 E CB -0.477 29.226 29.700 0.005 0.000 0.772 125 E HN 0.587 nan 8.360 nan 0.000 0.462 126 A N 1.215 124.039 122.820 0.007 0.000 1.958 126 A HA -0.252 4.068 4.320 0.000 0.000 0.221 126 A C 2.338 179.927 177.584 0.009 0.000 1.178 126 A CA 2.200 54.241 52.037 0.008 0.000 0.642 126 A CB -0.774 18.231 19.000 0.008 0.000 0.816 126 A HN 0.357 nan 8.150 nan 0.000 0.453 127 A N -0.687 122.138 122.820 0.009 0.000 1.855 127 A HA 0.020 4.340 4.320 0.000 0.000 0.215 127 A C 2.243 179.832 177.584 0.009 0.000 1.191 127 A CA 1.772 53.815 52.037 0.010 0.000 0.613 127 A CB -1.088 17.918 19.000 0.009 0.000 0.829 127 A HN 0.442 nan 8.150 nan 0.000 0.442 128 V N 0.217 120.136 119.914 0.008 0.000 2.252 128 V HA -0.333 3.787 4.120 0.000 0.000 0.249 128 V C 2.546 178.645 176.094 0.008 0.000 1.056 128 V CA 2.506 64.811 62.300 0.007 0.000 1.022 128 V CB -0.896 30.930 31.823 0.006 0.000 0.641 128 V HN 0.790 nan 8.190 nan 0.000 0.445 129 E N 0.073 120.278 120.200 0.008 0.000 2.171 129 E HA -0.338 4.012 4.350 0.000 0.000 0.197 129 E C 2.120 178.726 176.600 0.009 0.000 0.997 129 E CA 1.822 58.227 56.400 0.008 0.000 0.810 129 E CB -0.051 29.654 29.700 0.008 0.000 0.738 129 E HN 0.508 nan 8.360 nan 0.000 0.467 130 K N 0.570 120.976 120.400 0.010 0.000 2.116 130 K HA -0.032 4.289 4.320 0.000 0.000 0.203 130 K C 1.822 178.429 176.600 0.012 0.000 1.052 130 K CA 1.045 57.339 56.287 0.012 0.000 0.952 130 K CB -0.181 32.327 32.500 0.014 0.000 0.729 130 K HN 0.188 nan 8.250 nan 0.000 0.446 131 I N 0.792 121.368 120.570 0.011 0.000 2.163 131 I HA -0.328 3.842 4.170 0.000 0.000 0.243 131 I C 2.107 178.230 176.117 0.009 0.000 1.085 131 I CA 1.456 62.762 61.300 0.010 0.000 1.347 131 I CB -0.303 37.702 38.000 0.008 0.000 1.044 131 I HN 0.154 nan 8.210 nan 0.000 0.408 132 K N 1.209 121.614 120.400 0.009 0.000 1.978 132 K HA -0.140 4.180 4.320 0.000 0.000 0.214 132 K C 2.166 178.771 176.600 0.009 0.000 1.049 132 K CA 1.668 57.960 56.287 0.008 0.000 0.939 132 K CB -0.431 32.074 32.500 0.007 0.000 0.721 132 K HN 0.288 nan 8.250 nan 0.000 0.441 133 A N 0.803 123.629 122.820 0.010 0.000 2.234 133 A HA -0.115 4.205 4.320 0.000 0.000 0.216 133 A C 1.751 179.342 177.584 0.012 0.000 1.167 133 A CA 1.056 53.099 52.037 0.010 0.000 0.698 133 A CB -0.207 18.800 19.000 0.010 0.000 0.779 133 A HN 0.222 nan 8.150 nan 0.000 0.475 134 L N -1.981 119.250 121.223 0.012 0.000 2.731 134 L HA 0.486 4.826 4.340 0.000 0.000 0.240 134 L C 1.075 177.952 176.870 0.013 0.000 1.120 134 L CA 0.582 55.431 54.840 0.015 0.000 0.913 134 L CB -0.072 41.997 42.059 0.017 0.000 1.213 134 L HN 0.234 nan 8.230 nan 0.000 0.515 135 A N 0.361 123.187 122.820 0.010 0.000 2.363 135 A HA 0.494 4.814 4.320 0.000 0.000 0.270 135 A C -0.122 177.467 177.584 0.008 0.000 1.121 135 A CA -0.269 51.773 52.037 0.008 0.000 0.800 135 A CB -0.165 18.838 19.000 0.006 0.000 1.052 135 A HN 0.211 nan 8.150 nan 0.000 0.493 136 I N 3.898 124.472 120.570 0.007 0.000 2.325 136 I HA 0.227 4.397 4.170 0.000 0.000 0.291 136 I C -2.120 174.000 176.117 0.004 0.000 1.019 136 I CA -1.841 59.463 61.300 0.006 0.000 1.302 136 I CB 1.459 39.463 38.000 0.006 0.000 1.401 136 I HN 0.421 nan 8.210 nan 0.000 0.485 137 P HA 0.106 nan 4.420 nan 0.000 0.271 137 P C -0.804 176.498 177.300 0.002 0.000 1.216 137 P CA -0.140 62.962 63.100 0.003 0.000 0.776 137 P CB 0.805 32.507 31.700 0.004 0.000 0.881 138 V N 4.088 124.002 119.914 0.001 0.000 2.289 138 V HA 0.206 4.326 4.120 0.000 0.000 0.272 138 V C 0.585 176.679 176.094 -0.000 0.000 1.026 138 V CA 0.135 62.435 62.300 -0.000 0.000 0.807 138 V CB 0.517 32.339 31.823 -0.002 0.000 1.044 138 V HN 0.622 nan 8.190 nan 0.000 0.443 139 E N 0.777 120.977 120.200 0.001 0.000 2.603 139 E HA 0.135 4.485 4.350 0.000 0.000 0.218 139 E C -0.118 176.483 176.600 0.001 0.000 0.878 139 E CA -0.415 55.985 56.400 0.001 0.000 1.348 139 E CB 0.833 30.534 29.700 0.002 0.000 1.318 139 E HN 0.607 nan 8.360 nan 0.000 0.673 140 D N 1.292 121.693 120.400 0.001 0.000 2.372 140 D HA -0.000 4.640 4.640 0.000 0.000 0.243 140 D C 1.163 177.463 176.300 0.000 0.000 1.297 140 D CA 0.210 54.211 54.000 0.001 0.000 0.958 140 D CB 1.005 41.806 40.800 0.001 0.000 1.114 140 D HN -0.068 nan 8.370 nan 0.000 0.496 141 R N 0.853 121.353 120.500 0.000 0.000 2.055 141 R HA -0.050 4.290 4.340 0.000 0.000 0.226 141 R C 1.767 178.066 176.300 -0.002 0.000 1.135 141 R CA 1.513 57.613 56.100 -0.000 0.000 0.959 141 R CB -0.206 30.094 30.300 0.000 0.000 0.854 141 R HN 0.256 nan 8.270 nan 0.000 0.431 142 K N 0.365 120.764 120.400 -0.002 0.000 2.026 142 K HA -0.070 4.251 4.320 0.000 0.000 0.208 142 K C 2.097 178.695 176.600 -0.004 0.000 1.048 142 K CA 1.444 57.730 56.287 -0.003 0.000 0.929 142 K CB -0.344 32.155 32.500 -0.002 0.000 0.713 142 K HN 0.282 nan 8.250 nan 0.000 0.439 143 A N 2.142 124.961 122.820 -0.002 0.000 1.848 143 A HA -0.239 4.082 4.320 0.000 0.000 0.217 143 A C 2.159 179.740 177.584 -0.005 0.000 1.220 143 A CA 1.876 53.911 52.037 -0.003 0.000 0.645 143 A CB -1.017 17.982 19.000 -0.001 0.000 0.842 143 A HN 0.228 nan 8.150 nan 0.000 0.451 144 I N -0.643 119.924 120.570 -0.005 0.000 2.236 144 I HA -0.330 3.840 4.170 0.000 0.000 0.249 144 I C 2.637 178.747 176.117 -0.011 0.000 1.102 144 I CA 2.081 63.376 61.300 -0.007 0.000 1.365 144 I CB -0.482 37.514 38.000 -0.006 0.000 1.051 144 I HN 0.605 nan 8.210 nan 0.000 0.420 145 E N 1.062 121.256 120.200 -0.010 0.000 2.028 145 E HA -0.222 4.128 4.350 0.000 0.000 0.191 145 E C 2.071 178.663 176.600 -0.014 0.000 0.988 145 E CA 1.208 57.599 56.400 -0.015 0.000 0.799 145 E CB 0.059 29.751 29.700 -0.013 0.000 0.755 145 E HN 0.490 nan 8.360 nan 0.000 0.447 146 E N 0.092 120.286 120.200 -0.010 0.000 2.070 146 E HA -0.210 4.140 4.350 0.000 0.000 0.197 146 E C 2.241 178.836 176.600 -0.008 0.000 1.004 146 E CA 1.494 57.889 56.400 -0.008 0.000 0.805 146 E CB -0.078 29.619 29.700 -0.005 0.000 0.744 146 E HN 0.125 nan 8.360 nan 0.000 0.451 147 V N 1.574 121.483 119.914 -0.008 0.000 2.231 147 V HA -0.351 3.770 4.120 0.000 0.000 0.248 147 V C 2.398 178.487 176.094 -0.009 0.000 1.054 147 V CA 2.172 64.467 62.300 -0.008 0.000 1.015 147 V CB -0.877 30.941 31.823 -0.009 0.000 0.638 147 V HN 0.388 nan 8.190 nan 0.000 0.444 148 A N -0.685 122.128 122.820 -0.013 0.000 1.940 148 A HA -0.251 4.069 4.320 0.000 0.000 0.219 148 A C 2.360 179.937 177.584 -0.011 0.000 1.176 148 A CA 2.576 54.603 52.037 -0.016 0.000 0.631 148 A CB -1.062 17.921 19.000 -0.029 0.000 0.814 148 A HN 0.550 nan 8.150 nan 0.000 0.446 149 T N 0.467 115.013 114.554 -0.014 0.000 2.720 149 T HA -0.146 4.204 4.350 0.000 0.000 0.268 149 T C 1.777 176.481 174.700 0.007 0.000 1.037 149 T CA 1.660 63.754 62.100 -0.009 0.000 1.144 149 T CB -0.437 68.424 68.868 -0.010 0.000 0.864 149 T HN 0.476 nan 8.240 nan 0.000 0.444 150 I N 1.632 122.204 120.570 0.003 0.000 2.162 150 I HA -0.144 4.027 4.170 0.000 0.000 0.238 150 I C 2.684 178.809 176.117 0.013 0.000 1.076 150 I CA 1.268 62.572 61.300 0.005 0.000 1.353 150 I CB -0.616 37.382 38.000 -0.003 0.000 1.063 150 I HN 0.237 nan 8.210 nan 0.000 0.408 151 S N 1.262 116.968 115.700 0.010 0.000 2.493 151 S HA -0.110 4.360 4.470 0.000 0.000 0.243 151 S C 1.808 176.434 174.600 0.043 0.000 0.991 151 S CA 1.066 59.274 58.200 0.014 0.000 0.957 151 S CB -0.425 62.777 63.200 0.003 0.000 0.756 151 S HN 0.532 nan 8.310 nan 0.000 0.521 152 A N 1.402 124.264 122.820 0.069 0.000 2.108 152 A HA 0.347 4.667 4.320 0.000 0.000 0.206 152 A C 0.914 178.591 177.584 0.156 0.000 1.212 152 A CA 0.277 52.409 52.037 0.159 0.000 0.843 152 A CB -0.364 18.730 19.000 0.156 0.000 0.902 152 A HN 0.567 nan 8.150 nan 0.000 0.477 153 N N 0.051 118.803 118.700 0.086 0.000 2.780 153 N HA -0.163 4.577 4.740 0.000 0.000 0.247 153 N C -1.445 174.122 175.510 0.095 0.000 1.076 153 N CA 0.745 53.835 53.050 0.068 0.000 0.688 153 N CB -0.642 37.878 38.487 0.054 0.000 0.957 153 N HN 0.448 nan 8.380 nan 0.000 0.551 154 D N -0.660 119.787 120.400 0.078 0.000 2.369 154 D HA 0.119 4.759 4.640 0.000 0.000 0.212 154 D C -2.011 174.290 176.300 0.001 0.000 1.326 154 D CA -0.917 53.120 54.000 0.062 0.000 0.933 154 D CB 1.478 42.353 40.800 0.124 0.000 1.516 154 D HN 0.028 nan 8.370 nan 0.000 0.557 155 P HA -0.118 nan 4.420 nan 0.000 0.220 155 P C 0.881 178.159 177.300 -0.037 0.000 1.148 155 P CA 0.985 64.075 63.100 -0.016 0.000 0.803 155 P CB 0.866 32.562 31.700 -0.007 0.000 0.782 156 E N 0.127 120.300 120.200 -0.046 0.000 2.008 156 E HA -0.076 4.274 4.350 0.000 0.000 0.191 156 E C 2.184 178.709 176.600 -0.125 0.000 0.986 156 E CA 1.015 57.374 56.400 -0.068 0.000 0.807 156 E CB -0.701 28.964 29.700 -0.058 0.000 0.766 156 E HN 0.009 nan 8.360 nan 0.000 0.450 157 V N 1.513 121.299 119.914 -0.214 0.000 2.568 157 V HA -0.218 3.902 4.120 0.000 0.000 0.253 157 V C 2.298 178.261 176.094 -0.219 0.000 1.072 157 V CA 1.861 63.943 62.300 -0.364 0.000 1.084 157 V CB -1.181 30.188 31.823 -0.757 0.000 0.676 157 V HN 0.419 nan 8.190 nan 0.000 0.469 158 G N -0.316 108.405 108.800 -0.131 0.000 2.421 158 G HA2 -0.211 3.749 3.960 0.000 0.000 0.216 158 G HA3 -0.211 3.749 3.960 0.000 0.000 0.216 158 G C 1.689 176.549 174.900 -0.067 0.000 1.171 158 G CA 0.598 45.651 45.100 -0.078 0.000 0.775 158 G HN 0.343 nan 8.290 nan 0.000 0.543 159 K N 0.305 120.669 120.400 -0.060 0.000 1.991 159 K HA -0.004 4.316 4.320 0.000 0.000 0.212 159 K C 2.626 179.201 176.600 -0.041 0.000 1.049 159 K CA 0.866 57.129 56.287 -0.040 0.000 0.932 159 K CB -0.921 31.559 32.500 -0.033 0.000 0.717 159 K HN 0.337 nan 8.250 nan 0.000 0.441 160 L N 0.732 121.916 121.223 -0.066 0.000 1.997 160 L HA -0.253 4.087 4.340 0.000 0.000 0.216 160 L C 2.553 179.384 176.870 -0.064 0.000 1.074 160 L CA 1.486 56.288 54.840 -0.063 0.000 0.763 160 L CB -0.636 41.355 42.059 -0.114 0.000 0.890 160 L HN 0.174 nan 8.230 nan 0.000 0.434 161 I N -0.243 120.270 120.570 -0.094 0.000 2.208 161 I HA -0.323 3.847 4.170 0.000 0.000 0.245 161 I C 2.824 178.916 176.117 -0.043 0.000 1.097 161 I CA 1.240 62.493 61.300 -0.079 0.000 1.363 161 I CB -0.543 37.407 38.000 -0.083 0.000 1.051 161 I HN 0.263 nan 8.210 nan 0.000 0.413 162 A N 0.783 123.584 122.820 -0.031 0.000 1.858 162 A HA -0.230 4.090 4.320 0.000 0.000 0.216 162 A C 2.013 179.605 177.584 0.012 0.000 1.190 162 A CA 2.050 54.081 52.037 -0.011 0.000 0.617 162 A CB -0.644 18.350 19.000 -0.011 0.000 0.827 162 A HN 0.359 nan 8.150 nan 0.000 0.443 163 D N 0.257 120.673 120.400 0.027 0.000 2.092 163 D HA -0.128 4.512 4.640 0.000 0.000 0.193 163 D C 2.285 178.665 176.300 0.133 0.000 0.994 163 D CA 1.687 55.734 54.000 0.079 0.000 0.828 163 D CB -0.691 40.167 40.800 0.097 0.000 0.963 163 D HN 0.414 nan 8.370 nan 0.000 0.450 164 A N 1.121 123.987 122.820 0.076 0.000 1.927 164 A HA -0.248 4.072 4.320 0.000 0.000 0.220 164 A C 2.328 179.924 177.584 0.020 0.000 1.185 164 A CA 2.042 54.073 52.037 -0.011 0.000 0.639 164 A CB -0.668 18.248 19.000 -0.141 0.000 0.820 164 A HN 0.198 nan 8.150 nan 0.000 0.451 165 M N -1.336 118.271 119.600 0.012 0.000 2.156 165 M HA -0.107 4.373 4.480 0.000 0.000 0.264 165 M C 2.088 178.413 176.300 0.041 0.000 1.067 165 M CA 1.232 56.540 55.300 0.013 0.000 1.131 165 M CB -0.519 32.080 32.600 -0.002 0.000 1.368 165 M HN 0.388 nan 8.290 nan 0.000 0.416 166 E N 1.115 121.346 120.200 0.051 0.000 2.086 166 E HA -0.226 4.124 4.350 0.000 0.000 0.200 166 E C 1.876 178.518 176.600 0.069 0.000 1.012 166 E CA 1.592 58.022 56.400 0.051 0.000 0.812 166 E CB -0.208 29.520 29.700 0.047 0.000 0.743 166 E HN 0.579 nan 8.360 nan 0.000 0.453 167 K N 0.039 120.517 120.400 0.130 0.000 2.078 167 K HA 0.017 4.337 4.320 0.000 0.000 0.203 167 K C 2.273 178.971 176.600 0.162 0.000 1.043 167 K CA 0.795 57.177 56.287 0.159 0.000 0.960 167 K CB -0.039 32.621 32.500 0.265 0.000 0.761 167 K HN -0.079 nan 8.250 nan 0.000 0.448 168 V N 0.962 120.986 119.914 0.182 0.000 2.759 168 V HA -0.040 4.080 4.120 0.000 0.000 0.256 168 V C 1.060 177.187 176.094 0.055 0.000 1.080 168 V CA 1.050 63.415 62.300 0.108 0.000 1.101 168 V CB -1.241 30.607 31.823 0.042 0.000 0.698 168 V HN 0.652 nan 8.190 nan 0.000 0.477 169 G N -0.020 108.807 108.800 0.045 0.000 2.756 169 G HA2 -0.204 3.756 3.960 0.000 0.000 0.678 169 G HA3 -0.204 3.756 3.960 0.000 0.000 0.678 169 G C 0.271 175.177 174.900 0.009 0.000 1.349 169 G CA 0.093 45.208 45.100 0.025 0.000 0.847 169 G HN 0.201 nan 8.290 nan 0.000 0.548 170 K N 0.234 120.637 120.400 0.005 0.000 1.991 170 K HA -0.101 4.219 4.320 0.000 0.000 0.212 170 K C 1.881 178.476 176.600 -0.008 0.000 1.049 170 K CA 1.985 58.271 56.287 -0.002 0.000 0.932 170 K CB -0.104 32.396 32.500 -0.000 0.000 0.717 170 K HN 0.635 nan 8.250 nan 0.000 0.441 171 E N 0.782 120.978 120.200 -0.007 0.000 2.416 171 E HA 0.043 4.393 4.350 0.000 0.000 0.189 171 E C 0.666 177.255 176.600 -0.019 0.000 1.091 171 E CA -0.450 55.942 56.400 -0.015 0.000 0.889 171 E CB 0.377 30.069 29.700 -0.014 0.000 1.015 171 E HN 0.281 nan 8.360 nan 0.000 0.479 172 G N 0.908 109.700 108.800 -0.013 0.000 2.553 172 G HA2 0.424 4.384 3.960 0.000 0.000 0.278 172 G HA3 0.424 4.384 3.960 0.000 0.000 0.278 172 G C -0.124 174.755 174.900 -0.035 0.000 1.349 172 G CA -0.577 44.515 45.100 -0.013 0.000 1.037 172 G HN 0.057 nan 8.290 nan 0.000 0.508 173 I N 0.206 120.752 120.570 -0.039 0.000 2.406 173 I HA 0.428 4.599 4.170 0.000 0.000 0.290 173 I C -0.571 175.498 176.117 -0.080 0.000 0.999 173 I CA -0.275 60.990 61.300 -0.058 0.000 1.124 173 I CB 1.751 39.719 38.000 -0.053 0.000 1.289 173 I HN 0.145 nan 8.210 nan 0.000 0.441 174 I N 4.827 125.346 120.570 -0.084 0.000 2.686 174 I HA 0.542 4.712 4.170 0.000 0.000 0.295 174 I C -0.667 175.399 176.117 -0.085 0.000 1.114 174 I CA -0.357 60.879 61.300 -0.107 0.000 1.038 174 I CB 2.630 40.569 38.000 -0.101 0.000 1.238 174 I HN 0.477 nan 8.210 nan 0.000 0.420 175 T N 3.578 118.078 114.554 -0.090 0.000 2.868 175 T HA 0.501 4.851 4.350 0.000 0.000 0.306 175 T C -0.984 173.686 174.700 -0.049 0.000 1.224 175 T CA -0.566 61.498 62.100 -0.060 0.000 1.012 175 T CB 2.649 71.487 68.868 -0.050 0.000 1.221 175 T HN 0.192 nan 8.240 nan 0.000 0.499 176 V N 2.592 122.495 119.914 -0.018 0.000 2.378 176 V HA 0.515 4.635 4.120 0.000 0.000 0.288 176 V C -0.547 175.558 176.094 0.018 0.000 1.016 176 V CA -0.728 61.579 62.300 0.012 0.000 0.840 176 V CB 1.502 33.357 31.823 0.055 0.000 0.994 176 V HN 0.737 nan 8.190 nan 0.000 0.431 177 E N 2.885 123.096 120.200 0.018 0.000 2.207 177 E HA 0.445 4.795 4.350 0.000 0.000 0.270 177 E C -0.662 175.957 176.600 0.032 0.000 0.927 177 E CA -0.948 55.463 56.400 0.017 0.000 0.799 177 E CB 2.190 31.892 29.700 0.003 0.000 1.172 177 E HN 0.606 nan 8.360 nan 0.000 0.404 178 E N 0.909 121.125 120.200 0.026 0.000 1.858 178 E HA 0.106 4.456 4.350 0.000 0.000 0.267 178 E C 0.148 176.761 176.600 0.023 0.000 1.215 178 E CA -0.029 56.388 56.400 0.028 0.000 0.952 178 E CB 0.453 30.163 29.700 0.018 0.000 1.058 178 E HN 0.266 nan 8.360 nan 0.000 0.407 179 S N 2.584 118.302 115.700 0.030 0.000 2.612 179 S HA 0.017 4.487 4.470 0.000 0.000 0.253 179 S C 0.902 175.514 174.600 0.019 0.000 1.346 179 S CA 0.097 58.311 58.200 0.023 0.000 0.976 179 S CB 0.624 63.841 63.200 0.029 0.000 0.949 179 S HN 0.507 nan 8.310 nan 0.000 0.584 180 K N 0.127 120.536 120.400 0.015 0.000 2.399 180 K HA 0.145 4.465 4.320 0.000 0.000 0.196 180 K C 0.563 177.171 176.600 0.013 0.000 1.103 180 K CA 0.088 56.382 56.287 0.012 0.000 0.986 180 K CB 0.250 32.754 32.500 0.007 0.000 0.952 180 K HN 0.645 nan 8.250 nan 0.000 0.541 181 S N 0.868 116.578 115.700 0.016 0.000 2.585 181 S HA 0.165 4.635 4.470 0.000 0.000 0.273 181 S C 0.917 175.531 174.600 0.022 0.000 1.339 181 S CA -0.533 57.677 58.200 0.017 0.000 1.028 181 S CB 0.585 63.795 63.200 0.017 0.000 0.906 181 S HN 0.151 nan 8.310 nan 0.000 0.528 182 L N 0.317 121.552 121.223 0.021 0.000 2.627 182 L HA 0.303 4.643 4.340 0.000 0.000 0.232 182 L C 0.587 177.475 176.870 0.031 0.000 1.150 182 L CA 0.358 55.212 54.840 0.024 0.000 0.917 182 L CB -0.822 41.248 42.059 0.019 0.000 1.104 182 L HN 0.712 nan 8.230 nan 0.000 0.445 183 E N -0.389 119.830 120.200 0.032 0.000 2.288 183 E HA 0.362 4.712 4.350 0.000 0.000 0.268 183 E C -0.744 175.879 176.600 0.037 0.000 0.885 183 E CA -0.550 55.870 56.400 0.033 0.000 0.767 183 E CB 2.278 31.991 29.700 0.022 0.000 1.220 183 E HN -0.123 nan 8.360 nan 0.000 0.427 184 T N 2.533 117.109 114.554 0.037 0.000 2.767 184 T HA 0.315 4.665 4.350 0.000 0.000 0.288 184 T C -0.511 174.184 174.700 -0.008 0.000 0.963 184 T CA -0.464 61.650 62.100 0.024 0.000 1.019 184 T CB 0.652 69.530 68.868 0.016 0.000 0.923 184 T HN 0.366 nan 8.240 nan 0.000 0.468 185 E N 1.457 121.653 120.200 -0.007 0.000 2.410 185 E HA 0.650 5.000 4.350 0.000 0.000 0.269 185 E C -1.411 175.180 176.600 -0.014 0.000 0.937 185 E CA -1.120 55.276 56.400 -0.006 0.000 0.793 185 E CB 1.902 31.609 29.700 0.012 0.000 1.314 185 E HN 0.269 nan 8.360 nan 0.000 0.447 186 L N 1.167 122.395 121.223 0.009 0.000 2.325 186 L HA 0.488 4.829 4.340 0.000 0.000 0.281 186 L C -1.539 175.382 176.870 0.086 0.000 1.004 186 L CA -0.219 54.626 54.840 0.008 0.000 0.823 186 L CB 0.777 42.857 42.059 0.036 0.000 1.236 186 L HN 0.429 nan 8.230 nan 0.000 0.415 187 K N 5.052 125.470 120.400 0.030 0.000 2.378 187 K HA 0.506 4.827 4.320 0.000 0.000 0.252 187 K C -1.437 175.211 176.600 0.080 0.000 0.931 187 K CA -0.380 55.985 56.287 0.130 0.000 0.794 187 K CB 1.953 34.491 32.500 0.064 0.000 1.181 187 K HN 0.308 nan 8.250 nan 0.000 0.425 188 F N 2.298 122.245 119.950 -0.005 0.000 2.359 188 F HA 0.191 4.718 4.527 0.000 0.000 0.355 188 F C 0.391 176.193 175.800 0.002 0.000 1.132 188 F CA -0.819 57.180 58.000 -0.001 0.000 1.246 188 F CB 0.133 39.132 39.000 -0.002 0.000 1.569 188 F HN 0.151 nan 8.300 nan 0.000 0.561 189 V N 0.421 120.393 119.914 0.096 0.000 3.698 189 V HA 0.239 4.359 4.120 0.000 0.000 0.280 189 V C 0.289 176.427 176.094 0.072 0.000 0.995 189 V CA -0.566 61.775 62.300 0.069 0.000 1.000 189 V CB 1.005 32.846 31.823 0.030 0.000 1.248 189 V HN 0.299 nan 8.190 nan 0.000 0.429 190 E N -0.718 119.515 120.200 0.055 0.000 2.207 190 E HA 0.720 5.070 4.350 0.000 0.000 0.270 190 E C 0.019 176.655 176.600 0.060 0.000 0.927 190 E CA 0.521 56.956 56.400 0.059 0.000 0.799 190 E CB 1.567 31.293 29.700 0.045 0.000 1.172 190 E HN 0.948 nan 8.360 nan 0.000 0.404 191 G N 0.587 109.439 108.800 0.086 0.000 2.325 191 G HA2 0.333 4.293 3.960 0.000 0.000 0.295 191 G HA3 0.333 4.293 3.960 0.000 0.000 0.295 191 G C -2.064 172.974 174.900 0.230 0.000 1.274 191 G CA -0.543 44.629 45.100 0.119 0.000 0.857 191 G HN 0.323 nan 8.290 nan 0.000 0.499 192 Y N -0.408 119.919 120.300 0.045 0.000 2.744 192 Y HA 0.794 5.344 4.550 0.000 0.000 0.330 192 Y C -1.028 174.938 175.900 0.109 0.000 1.263 192 Y CA -0.635 57.506 58.100 0.068 0.000 1.065 192 Y CB 2.400 40.899 38.460 0.066 0.000 1.306 192 Y HN 0.802 nan 8.280 nan 0.000 0.459 193 Q N 2.791 122.483 119.800 -0.181 0.000 2.430 193 Q HA 0.443 4.783 4.340 0.000 0.000 0.253 193 Q C -2.184 173.766 176.000 -0.083 0.000 0.945 193 Q CA -0.497 55.272 55.803 -0.056 0.000 0.964 193 Q CB 1.635 30.309 28.738 -0.108 0.000 1.460 193 Q HN 0.581 nan 8.270 nan 0.000 0.428 194 F N 0.034 119.881 119.950 -0.172 0.000 2.603 194 F HA 0.619 5.146 4.527 0.000 0.000 0.317 194 F C -0.461 175.289 175.800 -0.084 0.000 1.066 194 F CA -1.145 56.772 58.000 -0.139 0.000 0.941 194 F CB 1.295 40.257 39.000 -0.064 0.000 1.291 194 F HN 0.225 nan 8.300 nan 0.000 0.472 195 D N 2.559 122.947 120.400 -0.020 0.000 2.551 195 D HA 0.287 4.927 4.640 0.000 0.000 0.223 195 D C -0.640 175.608 176.300 -0.088 0.000 1.144 195 D CA 0.308 54.255 54.000 -0.088 0.000 1.025 195 D CB 0.623 41.420 40.800 -0.005 0.000 1.085 195 D HN 0.306 nan 8.370 nan 0.000 0.506 196 K N -0.068 120.173 120.400 -0.265 0.000 2.557 196 K HA 0.635 4.955 4.320 0.000 0.000 0.261 196 K C -0.183 176.244 176.600 -0.288 0.000 0.932 196 K CA -0.717 55.464 56.287 -0.175 0.000 0.829 196 K CB 2.376 34.881 32.500 0.009 0.000 1.358 196 K HN 0.244 nan 8.250 nan 0.000 0.430 197 G N 0.284 108.965 108.800 -0.198 0.000 3.108 197 G HA2 0.456 4.416 3.960 0.000 0.000 0.268 197 G HA3 0.456 4.416 3.960 0.000 0.000 0.268 197 G C -1.123 173.707 174.900 -0.116 0.000 1.361 197 G CA -0.741 44.196 45.100 -0.271 0.000 1.047 197 G HN 0.496 nan 8.290 nan 0.000 0.540 198 Y N -0.307 120.041 120.300 0.079 0.000 2.721 198 Y HA 0.221 4.771 4.550 0.000 0.000 0.329 198 Y C 1.417 177.434 175.900 0.195 0.000 1.211 198 Y CA -0.884 57.337 58.100 0.200 0.000 1.512 198 Y CB -0.054 38.566 38.460 0.267 0.000 1.249 198 Y HN 0.267 nan 8.280 nan 0.000 0.549 199 I N 1.462 122.296 120.570 0.439 0.000 2.567 199 I HA -0.174 3.996 4.170 0.000 0.000 0.257 199 I C 0.939 177.190 176.117 0.223 0.000 1.184 199 I CA 1.453 62.931 61.300 0.297 0.000 1.451 199 I CB -0.127 38.054 38.000 0.302 0.000 1.089 199 I HN 0.684 nan 8.210 nan 0.000 0.441 200 S N -0.127 115.687 115.700 0.190 0.000 2.575 200 S HA 0.339 4.809 4.470 0.000 0.000 0.278 200 S C -1.960 172.587 174.600 -0.088 0.000 1.139 200 S CA -1.320 56.832 58.200 -0.079 0.000 0.954 200 S CB 1.730 64.609 63.200 -0.535 0.000 1.054 200 S HN -0.152 nan 8.310 nan 0.000 0.483 201 P HA -0.080 nan 4.420 nan 0.000 0.228 201 P C 0.571 177.617 177.300 -0.422 0.000 1.151 201 P CA 0.874 63.800 63.100 -0.291 0.000 0.770 201 P CB -0.148 31.500 31.700 -0.086 0.000 0.786 202 Y N -1.396 118.657 120.300 -0.411 0.000 2.571 202 Y HA 0.041 4.591 4.550 0.000 0.000 0.294 202 Y C 2.141 177.893 175.900 -0.245 0.000 1.141 202 Y CA 0.596 58.497 58.100 -0.332 0.000 1.308 202 Y CB -1.310 36.951 38.460 -0.332 0.000 1.002 202 Y HN -0.073 nan 8.280 nan 0.000 0.551 203 F N -1.243 118.656 119.950 -0.085 0.000 2.811 203 F HA 0.021 4.548 4.527 0.000 0.000 0.301 203 F C 0.831 176.521 175.800 -0.183 0.000 1.151 203 F CA -0.509 57.436 58.000 -0.092 0.000 1.412 203 F CB 0.015 38.996 39.000 -0.033 0.000 1.113 203 F HN -0.307 nan 8.300 nan 0.000 0.579 204 V N 0.950 120.753 119.914 -0.186 0.000 2.673 204 V HA -0.123 3.997 4.120 0.000 0.000 0.303 204 V C 1.096 177.148 176.094 -0.069 0.000 1.046 204 V CA 0.841 63.020 62.300 -0.203 0.000 1.126 204 V CB 1.090 32.731 31.823 -0.304 0.000 0.934 204 V HN 0.240 nan 8.190 nan 0.000 0.487 205 T N 2.592 117.128 114.554 -0.030 0.000 2.953 205 T HA 0.002 4.353 4.350 0.000 0.000 0.247 205 T C 0.934 175.620 174.700 -0.023 0.000 1.029 205 T CA 0.533 62.626 62.100 -0.011 0.000 1.144 205 T CB -0.061 68.812 68.868 0.007 0.000 0.870 205 T HN 0.623 nan 8.240 nan 0.000 0.446 206 N N 1.543 120.232 118.700 -0.020 0.000 2.511 206 N HA 0.221 4.961 4.740 0.000 0.000 0.249 206 N C -2.448 173.043 175.510 -0.033 0.000 0.971 206 N CA -2.077 50.960 53.050 -0.021 0.000 0.938 206 N CB 2.133 40.617 38.487 -0.005 0.000 1.131 206 N HN -0.092 nan 8.380 nan 0.000 0.505 207 P HA -0.121 nan 4.420 nan 0.000 0.216 207 P C 0.662 177.939 177.300 -0.038 0.000 1.153 207 P CA 1.413 64.478 63.100 -0.059 0.000 0.858 207 P CB 0.574 32.234 31.700 -0.067 0.000 0.789 208 E N -0.749 119.433 120.200 -0.030 0.000 2.007 208 E HA -0.161 4.190 4.350 0.000 0.000 0.194 208 E C 1.996 178.592 176.600 -0.008 0.000 0.999 208 E CA 2.046 58.432 56.400 -0.025 0.000 0.811 208 E CB -1.021 28.659 29.700 -0.033 0.000 0.762 208 E HN 0.343 nan 8.360 nan 0.000 0.450 209 T N -0.875 113.681 114.554 0.004 0.000 3.051 209 T HA -0.077 4.273 4.350 0.000 0.000 0.269 209 T C 1.068 175.799 174.700 0.050 0.000 1.127 209 T CA 0.399 62.517 62.100 0.030 0.000 1.107 209 T CB 0.002 68.892 68.868 0.037 0.000 0.898 209 T HN 0.055 nan 8.240 nan 0.000 0.517 210 M N 1.118 120.742 119.600 0.039 0.000 2.360 210 M HA -0.140 4.340 4.480 0.000 0.000 0.202 210 M C -0.503 175.898 176.300 0.168 0.000 0.390 210 M CA 0.767 56.112 55.300 0.074 0.000 0.470 210 M CB -2.240 30.424 32.600 0.107 0.000 1.637 210 M HN 0.628 nan 8.290 nan 0.000 0.885 211 E N -0.449 119.817 120.200 0.111 0.000 2.281 211 E HA 0.805 5.155 4.350 0.000 0.000 0.262 211 E C -0.099 176.559 176.600 0.097 0.000 0.933 211 E CA -0.618 55.876 56.400 0.158 0.000 0.809 211 E CB 1.819 31.576 29.700 0.094 0.000 1.242 211 E HN 0.370 nan 8.360 nan 0.000 0.418 212 A N 1.463 124.364 122.820 0.135 0.000 2.323 212 A HA 0.474 4.794 4.320 0.000 0.000 0.305 212 A C -0.955 176.668 177.584 0.066 0.000 1.275 212 A CA -0.545 51.544 52.037 0.087 0.000 0.804 212 A CB 0.570 19.652 19.000 0.138 0.000 1.152 212 A HN 0.271 nan 8.150 nan 0.000 0.487 213 V N 4.303 124.240 119.914 0.038 0.000 2.370 213 V HA 0.440 4.560 4.120 0.000 0.000 0.283 213 V C -0.315 175.787 176.094 0.014 0.000 1.023 213 V CA -0.201 62.114 62.300 0.025 0.000 0.857 213 V CB 1.147 32.980 31.823 0.018 0.000 0.985 213 V HN 0.755 nan 8.190 nan 0.000 0.443 214 L N 4.966 126.194 121.223 0.009 0.000 2.333 214 L HA 0.633 4.973 4.340 0.000 0.000 0.280 214 L C -0.149 176.714 176.870 -0.011 0.000 1.004 214 L CA -0.446 54.394 54.840 -0.001 0.000 0.820 214 L CB 2.058 44.115 42.059 -0.002 0.000 1.247 214 L HN 0.561 nan 8.230 nan 0.000 0.416 215 E N 2.735 122.924 120.200 -0.019 0.000 2.171 215 E HA 0.185 4.535 4.350 0.000 0.000 0.271 215 E C -1.113 175.453 176.600 -0.057 0.000 0.916 215 E CA -0.683 55.698 56.400 -0.031 0.000 0.774 215 E CB 1.444 31.131 29.700 -0.021 0.000 1.128 215 E HN 0.495 nan 8.360 nan 0.000 0.403 216 D N 1.584 121.936 120.400 -0.081 0.000 2.812 216 D HA -0.184 4.456 4.640 0.000 0.000 0.237 216 D C -1.161 175.010 176.300 -0.215 0.000 1.162 216 D CA 0.880 54.796 54.000 -0.141 0.000 0.740 216 D CB -0.552 40.178 40.800 -0.118 0.000 1.000 216 D HN 0.477 nan 8.370 nan 0.000 0.416 217 A N 0.583 123.279 122.820 -0.206 0.000 2.350 217 A HA 0.773 5.093 4.320 0.000 0.000 0.318 217 A C -0.198 177.210 177.584 -0.293 0.000 1.132 217 A CA -0.641 51.270 52.037 -0.210 0.000 0.811 217 A CB 0.978 19.947 19.000 -0.052 0.000 1.313 217 A HN 0.089 nan 8.150 nan 0.000 0.454 218 F N -0.226 119.725 119.950 0.001 0.000 2.371 218 F HA 0.498 5.026 4.527 0.000 0.000 0.329 218 F C 0.487 176.289 175.800 0.004 0.000 1.107 218 F CA -0.013 57.989 58.000 0.002 0.000 1.137 218 F CB 1.133 40.133 39.000 0.001 0.000 1.214 218 F HN 0.237 nan 8.300 nan 0.000 0.536 219 I N 4.219 124.899 120.570 0.183 0.000 2.557 219 I HA 0.134 4.304 4.170 0.000 0.000 0.277 219 I C -0.849 175.324 176.117 0.094 0.000 1.106 219 I CA -0.744 60.621 61.300 0.109 0.000 1.180 219 I CB 0.895 38.938 38.000 0.071 0.000 1.392 219 I HN 0.311 nan 8.210 nan 0.000 0.506 220 L N 7.539 128.815 121.223 0.088 0.000 2.678 220 L HA 0.207 4.548 4.340 0.000 0.000 0.276 220 L C -0.132 176.762 176.870 0.040 0.000 1.142 220 L CA 0.750 55.624 54.840 0.058 0.000 0.961 220 L CB -0.369 41.715 42.059 0.041 0.000 1.291 220 L HN 0.351 nan 8.230 nan 0.000 0.476 221 I N 6.412 127.000 120.570 0.030 0.000 2.269 221 I HA 0.217 4.388 4.170 0.000 0.000 0.293 221 I C 0.019 176.145 176.117 0.014 0.000 1.106 221 I CA -0.413 60.891 61.300 0.007 0.000 1.248 221 I CB 0.512 38.501 38.000 -0.020 0.000 1.444 221 I HN 0.337 nan 8.210 nan 0.000 0.497 222 V N 5.735 125.657 119.914 0.014 0.000 3.234 222 V HA 0.277 4.398 4.120 0.000 0.000 0.317 222 V C 0.877 176.975 176.094 0.007 0.000 1.081 222 V CA -0.307 62.005 62.300 0.020 0.000 1.037 222 V CB 2.093 33.928 31.823 0.019 0.000 1.148 222 V HN 0.812 nan 8.190 nan 0.000 0.453 223 E N -0.099 120.109 120.200 0.012 0.000 2.665 223 E HA 0.198 4.548 4.350 0.000 0.000 0.225 223 E C 0.549 177.155 176.600 0.011 0.000 0.922 223 E CA -0.177 56.227 56.400 0.005 0.000 1.242 223 E CB 0.666 30.370 29.700 0.007 0.000 1.197 223 E HN 0.617 nan 8.360 nan 0.000 0.581 224 K N 0.850 121.258 120.400 0.013 0.000 2.177 224 K HA 0.287 4.607 4.320 0.000 0.000 0.238 224 K C -0.601 176.008 176.600 0.016 0.000 1.015 224 K CA -0.593 55.701 56.287 0.012 0.000 0.922 224 K CB 1.072 33.573 32.500 0.003 0.000 1.127 224 K HN -0.214 nan 8.250 nan 0.000 0.469 225 K N 2.006 122.416 120.400 0.017 0.000 2.231 225 K HA 0.165 4.485 4.320 0.000 0.000 0.275 225 K C -0.929 175.682 176.600 0.018 0.000 1.105 225 K CA -0.395 55.906 56.287 0.023 0.000 0.931 225 K CB 1.040 33.555 32.500 0.025 0.000 1.296 225 K HN 0.283 nan 8.250 nan 0.000 0.446 226 V N 3.494 123.421 119.914 0.021 0.000 2.390 226 V HA -0.059 4.061 4.120 0.000 0.000 0.260 226 V C 1.161 177.268 176.094 0.022 0.000 1.043 226 V CA 0.517 62.827 62.300 0.016 0.000 1.047 226 V CB 0.202 32.036 31.823 0.019 0.000 1.066 226 V HN 0.837 nan 8.190 nan 0.000 0.481 227 S N 2.271 117.979 115.700 0.013 0.000 2.649 227 S HA 0.168 4.638 4.470 0.000 0.000 0.246 227 S C 0.397 175.001 174.600 0.007 0.000 1.057 227 S CA -0.393 57.816 58.200 0.015 0.000 1.051 227 S CB 0.033 63.242 63.200 0.014 0.000 1.018 227 S HN 0.618 nan 8.310 nan 0.000 0.569 228 N N 0.809 119.509 118.700 -0.000 0.000 2.421 228 N HA 0.476 5.216 4.740 0.000 0.000 0.285 228 N C 0.847 176.352 175.510 -0.007 0.000 1.027 228 N CA -0.390 52.656 53.050 -0.006 0.000 0.918 228 N CB 1.745 40.225 38.487 -0.013 0.000 1.152 228 N HN -0.087 nan 8.380 nan 0.000 0.485 229 V N 3.174 123.084 119.914 -0.006 0.000 2.307 229 V HA -0.138 3.982 4.120 0.000 0.000 0.245 229 V C 2.369 178.455 176.094 -0.014 0.000 1.045 229 V CA 1.397 63.693 62.300 -0.006 0.000 1.024 229 V CB -0.673 31.148 31.823 -0.004 0.000 0.651 229 V HN 0.669 nan 8.190 nan 0.000 0.449 230 R N 1.755 122.244 120.500 -0.017 0.000 2.103 230 R HA -0.228 4.112 4.340 0.000 0.000 0.242 230 R C 2.117 178.397 176.300 -0.033 0.000 1.142 230 R CA 2.283 58.369 56.100 -0.023 0.000 0.960 230 R CB -0.660 29.626 30.300 -0.023 0.000 0.858 230 R HN 0.803 nan 8.270 nan 0.000 0.439 231 E N -0.815 119.363 120.200 -0.037 0.000 2.511 231 E HA -0.077 4.273 4.350 0.000 0.000 0.196 231 E C 1.703 178.272 176.600 -0.051 0.000 1.066 231 E CA 0.586 56.953 56.400 -0.055 0.000 0.871 231 E CB -0.085 29.578 29.700 -0.061 0.000 0.863 231 E HN 0.453 nan 8.360 nan 0.000 0.520 232 L N -0.188 121.014 121.223 -0.034 0.000 2.624 232 L HA 0.187 4.527 4.340 0.000 0.000 0.222 232 L C 2.025 178.879 176.870 -0.026 0.000 1.046 232 L CA 0.032 54.856 54.840 -0.027 0.000 0.872 232 L CB 0.121 42.172 42.059 -0.013 0.000 1.190 232 L HN 0.152 nan 8.230 nan 0.000 0.487 233 L N 1.211 122.421 121.223 -0.022 0.000 2.034 233 L HA -0.211 4.129 4.340 0.000 0.000 0.217 233 L C -0.436 176.418 176.870 -0.026 0.000 1.077 233 L CA 1.994 56.822 54.840 -0.020 0.000 0.769 233 L CB -1.830 40.218 42.059 -0.018 0.000 0.890 233 L HN 0.289 nan 8.230 nan 0.000 0.435 234 P HA -0.234 nan 4.420 nan 0.000 0.212 234 P C 1.734 179.009 177.300 -0.041 0.000 1.178 234 P CA 1.921 65.000 63.100 -0.035 0.000 0.915 234 P CB -0.078 31.599 31.700 -0.039 0.000 0.788 235 I N -1.356 119.188 120.570 -0.044 0.000 2.286 235 I HA -0.204 3.966 4.170 0.000 0.000 0.248 235 I C 2.634 178.713 176.117 -0.063 0.000 1.115 235 I CA 0.772 62.038 61.300 -0.056 0.000 1.392 235 I CB -0.776 37.196 38.000 -0.046 0.000 1.065 235 I HN -0.131 nan 8.210 nan 0.000 0.418 236 L N 0.739 121.938 121.223 -0.042 0.000 2.079 236 L HA -0.219 4.121 4.340 0.000 0.000 0.210 236 L C 2.502 179.351 176.870 -0.033 0.000 1.081 236 L CA 1.897 56.718 54.840 -0.031 0.000 0.752 236 L CB -0.606 41.443 42.059 -0.017 0.000 0.896 236 L HN 0.230 nan 8.230 nan 0.000 0.433 237 E N -1.087 119.092 120.200 -0.035 0.000 2.046 237 E HA -0.223 4.128 4.350 0.000 0.000 0.190 237 E C 2.074 178.648 176.600 -0.045 0.000 0.982 237 E CA 1.185 57.566 56.400 -0.031 0.000 0.800 237 E CB -0.144 29.541 29.700 -0.026 0.000 0.756 237 E HN 0.657 nan 8.360 nan 0.000 0.449 238 Q N 0.564 120.324 119.800 -0.066 0.000 2.061 238 Q HA -0.149 4.191 4.340 0.000 0.000 0.204 238 Q C 2.413 178.338 176.000 -0.125 0.000 0.984 238 Q CA 1.618 57.365 55.803 -0.093 0.000 0.846 238 Q CB -0.200 28.468 28.738 -0.118 0.000 0.902 238 Q HN 0.114 nan 8.270 nan 0.000 0.421 239 V N 1.031 120.853 119.914 -0.153 0.000 2.427 239 V HA -0.264 3.856 4.120 0.000 0.000 0.248 239 V C 2.291 178.368 176.094 -0.027 0.000 1.051 239 V CA 1.590 63.796 62.300 -0.158 0.000 1.048 239 V CB -1.093 30.653 31.823 -0.128 0.000 0.666 239 V HN 0.401 nan 8.190 nan 0.000 0.456 240 A N -0.345 122.464 122.820 -0.020 0.000 1.883 240 A HA -0.308 4.012 4.320 0.000 0.000 0.217 240 A C 2.132 179.724 177.584 0.013 0.000 1.186 240 A CA 1.990 54.031 52.037 0.006 0.000 0.624 240 A CB -0.525 18.474 19.000 -0.001 0.000 0.822 240 A HN 0.627 nan 8.150 nan 0.000 0.444 241 Q N -0.816 118.984 119.800 -0.001 0.000 2.515 241 Q HA -0.043 4.297 4.340 0.000 0.000 0.212 241 Q C 1.425 177.439 176.000 0.024 0.000 0.970 241 Q CA 1.186 56.993 55.803 0.007 0.000 0.941 241 Q CB -0.202 28.533 28.738 -0.004 0.000 0.998 241 Q HN 0.672 nan 8.270 nan 0.000 0.518 242 T N -0.937 113.642 114.554 0.041 0.000 3.043 242 T HA 0.038 4.388 4.350 0.000 0.000 0.263 242 T C 1.402 176.169 174.700 0.111 0.000 1.094 242 T CA 0.849 63.009 62.100 0.101 0.000 1.127 242 T CB 0.097 69.085 68.868 0.200 0.000 0.905 242 T HN 0.592 nan 8.240 nan 0.000 0.490 243 G N 1.686 110.536 108.800 0.084 0.000 2.184 243 G HA2 -0.279 3.681 3.960 0.000 0.000 0.264 243 G HA3 -0.279 3.681 3.960 0.000 0.000 0.264 243 G C 0.157 175.104 174.900 0.078 0.000 0.975 243 G CA 0.336 45.475 45.100 0.066 0.000 0.642 243 G HN 0.475 nan 8.290 nan 0.000 0.536 244 K N 1.227 121.708 120.400 0.135 0.000 2.095 244 K HA 0.517 4.837 4.320 0.000 0.000 0.252 244 K C -2.095 174.585 176.600 0.133 0.000 0.977 244 K CA -1.647 54.713 56.287 0.121 0.000 0.900 244 K CB 1.670 34.256 32.500 0.142 0.000 1.060 244 K HN 0.101 nan 8.250 nan 0.000 0.449 245 P HA 0.204 nan 4.420 nan 0.000 0.278 245 P C -1.307 176.056 177.300 0.104 0.000 1.258 245 P CA -0.550 62.586 63.100 0.061 0.000 0.811 245 P CB 0.788 32.498 31.700 0.017 0.000 1.063 246 L N 1.606 122.870 121.223 0.069 0.000 2.436 246 L HA 0.533 4.873 4.340 0.000 0.000 0.268 246 L C -1.565 175.311 176.870 0.010 0.000 0.974 246 L CA -0.955 53.935 54.840 0.083 0.000 0.826 246 L CB 1.767 43.875 42.059 0.082 0.000 1.291 246 L HN 0.161 nan 8.230 nan 0.000 0.406 247 L N 6.233 127.475 121.223 0.032 0.000 2.276 247 L HA 0.625 4.965 4.340 0.000 0.000 0.286 247 L C -1.120 175.763 176.870 0.022 0.000 1.024 247 L CA -0.021 54.823 54.840 0.008 0.000 0.826 247 L CB 0.883 42.967 42.059 0.042 0.000 1.211 247 L HN 0.572 nan 8.230 nan 0.000 0.422 248 I N 6.440 127.001 120.570 -0.015 0.000 2.331 248 I HA 0.293 4.463 4.170 0.000 0.000 0.292 248 I C 0.128 176.274 176.117 0.047 0.000 0.998 248 I CA -0.143 61.162 61.300 0.009 0.000 1.267 248 I CB 1.263 39.252 38.000 -0.018 0.000 1.386 248 I HN 0.588 nan 8.210 nan 0.000 0.476 249 I N 6.454 127.059 120.570 0.057 0.000 3.064 249 I HA 0.299 4.469 4.170 0.000 0.000 0.340 249 I C 0.789 176.928 176.117 0.036 0.000 1.405 249 I CA -0.147 61.198 61.300 0.075 0.000 0.912 249 I CB 0.337 38.372 38.000 0.058 0.000 1.993 249 I HN 0.609 nan 8.210 nan 0.000 0.547 250 A N 1.612 124.458 122.820 0.043 0.000 2.292 250 A HA 0.164 4.484 4.320 0.000 0.000 0.265 250 A C 1.463 179.067 177.584 0.033 0.000 1.133 250 A CA -0.052 52.003 52.037 0.030 0.000 0.807 250 A CB 0.330 19.352 19.000 0.035 0.000 1.102 250 A HN 0.673 nan 8.150 nan 0.000 0.502 251 E N -1.149 119.066 120.200 0.025 0.000 2.358 251 E HA 0.058 4.408 4.350 0.000 0.000 0.195 251 E C -0.279 176.350 176.600 0.048 0.000 1.010 251 E CA 0.878 57.294 56.400 0.025 0.000 0.856 251 E CB 0.214 29.927 29.700 0.021 0.000 0.795 251 E HN 0.492 nan 8.360 nan 0.000 0.504 252 D N -0.684 119.749 120.400 0.055 0.000 2.842 252 D HA 0.116 4.756 4.640 0.000 0.000 0.248 252 D C -1.864 174.477 176.300 0.068 0.000 1.140 252 D CA -0.521 53.520 54.000 0.069 0.000 0.728 252 D CB 2.250 43.088 40.800 0.064 0.000 1.595 252 D HN -0.061 nan 8.370 nan 0.000 0.450 253 V N 3.523 123.490 119.914 0.087 0.000 2.443 253 V HA 0.507 4.627 4.120 0.000 0.000 0.293 253 V C 0.248 176.394 176.094 0.086 0.000 1.021 253 V CA -0.516 61.837 62.300 0.088 0.000 0.848 253 V CB 1.508 33.403 31.823 0.121 0.000 0.998 253 V HN 0.560 nan 8.190 nan 0.000 0.424 254 E N 3.240 123.476 120.200 0.060 0.000 2.442 254 E HA 0.803 5.153 4.350 0.000 0.000 0.261 254 E C 0.625 177.244 176.600 0.031 0.000 0.935 254 E CA -0.398 56.029 56.400 0.045 0.000 0.856 254 E CB 1.396 31.118 29.700 0.037 0.000 1.571 254 E HN 0.895 nan 8.360 nan 0.000 0.431 255 G N 0.950 109.760 108.800 0.018 0.000 2.632 255 G HA2 -0.442 3.518 3.960 0.000 0.000 0.322 255 G HA3 -0.442 3.518 3.960 0.000 0.000 0.322 255 G C 0.742 175.646 174.900 0.006 0.000 1.326 255 G CA 1.008 46.113 45.100 0.008 0.000 0.986 255 G HN 0.752 nan 8.290 nan 0.000 0.541 256 E N 0.234 120.437 120.200 0.005 0.000 2.049 256 E HA -0.141 4.209 4.350 0.000 0.000 0.198 256 E C 3.084 179.693 176.600 0.014 0.000 1.007 256 E CA 1.701 58.103 56.400 0.004 0.000 0.809 256 E CB -0.404 29.297 29.700 0.001 0.000 0.749 256 E HN 0.779 nan 8.360 nan 0.000 0.450 257 A N 1.541 124.374 122.820 0.021 0.000 1.859 257 A HA -0.255 4.065 4.320 0.000 0.000 0.218 257 A C 2.249 179.869 177.584 0.061 0.000 1.209 257 A CA 1.863 53.920 52.037 0.034 0.000 0.639 257 A CB -0.922 18.098 19.000 0.033 0.000 0.835 257 A HN 0.254 nan 8.150 nan 0.000 0.450 258 L N -0.467 120.799 121.223 0.071 0.000 2.042 258 L HA -0.088 4.252 4.340 0.000 0.000 0.210 258 L C 2.743 179.656 176.870 0.071 0.000 1.076 258 L CA 2.324 57.231 54.840 0.112 0.000 0.749 258 L CB -0.973 41.137 42.059 0.085 0.000 0.893 258 L HN 0.414 nan 8.230 nan 0.000 0.432 259 A N -1.553 121.275 122.820 0.013 0.000 1.865 259 A HA -0.240 4.080 4.320 0.000 0.000 0.217 259 A C 2.270 179.853 177.584 -0.001 0.000 1.191 259 A CA 2.535 54.556 52.037 -0.028 0.000 0.623 259 A CB -1.315 17.665 19.000 -0.034 0.000 0.826 259 A HN 0.509 nan 8.150 nan 0.000 0.444 260 T N 0.632 115.199 114.554 0.022 0.000 2.684 260 T HA -0.138 4.212 4.350 0.000 0.000 0.267 260 T C 1.827 176.566 174.700 0.064 0.000 1.036 260 T CA 1.567 63.685 62.100 0.030 0.000 1.148 260 T CB -0.491 68.392 68.868 0.025 0.000 0.863 260 T HN 0.358 nan 8.240 nan 0.000 0.436 261 L N 0.733 122.021 121.223 0.108 0.000 2.081 261 L HA -0.129 4.211 4.340 0.000 0.000 0.212 261 L C 2.645 179.689 176.870 0.290 0.000 1.080 261 L CA 1.001 55.946 54.840 0.174 0.000 0.754 261 L CB -0.699 41.489 42.059 0.215 0.000 0.893 261 L HN 0.174 nan 8.230 nan 0.000 0.433 262 V N -1.117 118.945 119.914 0.247 0.000 2.379 262 V HA -0.203 3.917 4.120 0.000 0.000 0.245 262 V C 2.381 178.513 176.094 0.063 0.000 1.044 262 V CA 1.275 63.655 62.300 0.133 0.000 1.036 262 V CB -0.125 31.588 31.823 -0.183 0.000 0.664 262 V HN 0.174 nan 8.190 nan 0.000 0.453 263 V N 0.846 120.773 119.914 0.022 0.000 2.233 263 V HA -0.262 3.858 4.120 0.000 0.000 0.247 263 V C 2.307 178.424 176.094 0.038 0.000 1.050 263 V CA 2.287 64.593 62.300 0.011 0.000 1.010 263 V CB -0.886 30.935 31.823 -0.003 0.000 0.637 263 V HN 0.580 nan 8.190 nan 0.000 0.444 264 N N 0.297 119.026 118.700 0.048 0.000 2.289 264 N HA -0.196 4.544 4.740 0.000 0.000 0.184 264 N C 1.839 177.385 175.510 0.061 0.000 1.016 264 N CA 1.479 54.556 53.050 0.046 0.000 0.872 264 N CB -0.259 38.252 38.487 0.041 0.000 0.973 264 N HN 0.470 nan 8.380 nan 0.000 0.433 265 K N 1.844 122.303 120.400 0.098 0.000 2.001 265 K HA 0.011 4.331 4.320 0.000 0.000 0.208 265 K C 1.841 178.497 176.600 0.094 0.000 1.048 265 K CA 1.066 57.426 56.287 0.122 0.000 0.932 265 K CB -0.502 32.144 32.500 0.244 0.000 0.715 265 K HN 0.111 nan 8.250 nan 0.000 0.437 266 L N 0.125 121.402 121.223 0.090 0.000 2.552 266 L HA 0.115 4.455 4.340 0.000 0.000 0.227 266 L C 2.610 179.503 176.870 0.038 0.000 1.146 266 L CA 0.513 55.392 54.840 0.066 0.000 0.858 266 L CB -0.230 41.877 42.059 0.081 0.000 0.969 266 L HN 0.198 nan 8.230 nan 0.000 0.451 267 R N 0.097 120.619 120.500 0.036 0.000 2.105 267 R HA 0.064 4.404 4.340 0.000 0.000 0.214 267 R C 1.389 177.701 176.300 0.020 0.000 1.091 267 R CA 0.988 57.101 56.100 0.023 0.000 1.007 267 R CB 0.286 30.599 30.300 0.021 0.000 0.912 267 R HN 0.301 nan 8.270 nan 0.000 0.450 268 G N -1.077 107.739 108.800 0.026 0.000 2.192 268 G HA2 -0.195 3.766 3.960 0.000 0.000 0.193 268 G HA3 -0.195 3.766 3.960 0.000 0.000 0.193 268 G C 0.725 175.638 174.900 0.022 0.000 0.999 268 G CA 0.399 45.513 45.100 0.022 0.000 0.659 268 G HN 0.359 nan 8.290 nan 0.000 0.503 269 T N -0.179 114.390 114.554 0.024 0.000 2.737 269 T HA 0.288 4.638 4.350 0.000 0.000 0.265 269 T C 0.845 175.560 174.700 0.024 0.000 1.038 269 T CA 1.449 63.562 62.100 0.021 0.000 1.144 269 T CB 0.235 69.115 68.868 0.020 0.000 0.866 269 T HN 0.477 nan 8.240 nan 0.000 0.434 270 L N 1.432 122.673 121.223 0.030 0.000 2.543 270 L HA 0.370 4.711 4.340 0.000 0.000 0.265 270 L C -0.969 175.921 176.870 0.033 0.000 0.945 270 L CA -0.741 54.117 54.840 0.030 0.000 0.869 270 L CB 1.939 44.013 42.059 0.025 0.000 1.294 270 L HN 0.125 nan 8.230 nan 0.000 0.405 271 S N 4.525 120.243 115.700 0.030 0.000 2.411 271 S HA 0.603 5.074 4.470 0.000 0.000 0.304 271 S C -0.307 174.290 174.600 -0.005 0.000 1.098 271 S CA -0.502 57.713 58.200 0.025 0.000 1.068 271 S CB 0.592 63.806 63.200 0.023 0.000 1.032 271 S HN 0.489 nan 8.310 nan 0.000 0.511 272 V N -0.298 119.588 119.914 -0.047 0.000 3.164 272 V HA 1.064 5.184 4.120 0.000 0.000 0.313 272 V C -0.233 175.615 176.094 -0.411 0.000 1.188 272 V CA -1.003 61.198 62.300 -0.165 0.000 1.058 272 V CB 1.131 32.852 31.823 -0.170 0.000 1.110 272 V HN 1.342 nan 8.190 nan 0.000 0.453 273 A N 0.240 122.712 122.820 -0.580 0.000 2.512 273 A HA 0.909 5.229 4.320 0.000 0.000 0.294 273 A C -0.525 176.709 177.584 -0.582 0.000 1.054 273 A CA 0.001 51.504 52.037 -0.890 0.000 0.756 273 A CB 0.999 19.835 19.000 -0.273 0.000 1.293 273 A HN 2.327 nan 8.150 nan 0.000 0.395 274 A N 1.642 124.075 122.820 -0.646 0.000 2.292 274 A HA 0.781 5.101 4.320 0.000 0.000 0.319 274 A C -0.528 177.139 177.584 0.138 0.000 1.206 274 A CA -0.460 51.529 52.037 -0.081 0.000 0.835 274 A CB 0.870 19.919 19.000 0.081 0.000 1.164 274 A HN 1.489 nan 8.150 nan 0.000 0.505 275 V N 3.024 123.018 119.914 0.135 0.000 2.789 275 V HA 0.305 4.426 4.120 0.000 0.000 0.311 275 V C 0.068 176.275 176.094 0.189 0.000 1.073 275 V CA -0.938 61.466 62.300 0.174 0.000 0.921 275 V CB 2.069 33.999 31.823 0.179 0.000 1.009 275 V HN 0.994 nan 8.190 nan 0.000 0.426 276 K N 1.985 122.488 120.400 0.172 0.000 2.276 276 K HA 0.569 4.889 4.320 0.000 0.000 0.259 276 K C 0.265 176.973 176.600 0.179 0.000 1.001 276 K CA -0.098 56.273 56.287 0.140 0.000 0.927 276 K CB 0.674 33.235 32.500 0.102 0.000 0.969 276 K HN 0.848 nan 8.250 nan 0.000 0.490 277 A N 3.531 126.385 122.820 0.057 0.000 2.440 277 A HA 0.219 4.540 4.320 0.000 0.000 0.251 277 A C -1.981 175.543 177.584 -0.100 0.000 1.089 277 A CA -1.230 50.776 52.037 -0.051 0.000 0.779 277 A CB -0.347 18.600 19.000 -0.087 0.000 1.022 277 A HN 0.445 nan 8.150 nan 0.000 0.492 278 P HA 0.285 nan 4.420 nan 0.000 0.271 278 P C 0.785 177.921 177.300 -0.273 0.000 1.233 278 P CA 1.330 64.361 63.100 -0.115 0.000 0.789 278 P CB 0.311 31.858 31.700 -0.255 0.000 0.951 279 G N 0.538 109.125 108.800 -0.355 0.000 2.740 279 G HA2 -0.158 3.802 3.960 0.000 0.000 0.250 279 G HA3 -0.158 3.802 3.960 0.000 0.000 0.250 279 G C -1.169 173.235 174.900 -0.827 0.000 1.358 279 G CA -0.347 44.499 45.100 -0.423 0.000 0.897 279 G HN 0.458 nan 8.290 nan 0.000 0.567 280 F N -0.139 119.846 119.950 0.059 0.000 2.591 280 F HA 0.663 5.190 4.527 0.000 0.000 0.309 280 F C 0.943 176.769 175.800 0.044 0.000 1.098 280 F CA 0.553 58.583 58.000 0.051 0.000 0.937 280 F CB 1.441 40.474 39.000 0.054 0.000 1.250 280 F HN 2.006 nan 8.300 nan 0.000 0.447 281 G N 2.115 111.029 108.800 0.191 0.000 2.562 281 G HA2 -0.268 3.692 3.960 0.000 0.000 0.250 281 G HA3 -0.268 3.692 3.960 0.000 0.000 0.250 281 G C 0.532 175.478 174.900 0.077 0.000 1.269 281 G CA 0.233 45.406 45.100 0.122 0.000 0.919 281 G HN 0.626 nan 8.290 nan 0.000 0.574 282 D N 0.101 120.541 120.400 0.066 0.000 2.149 282 D HA -0.161 4.479 4.640 0.000 0.000 0.194 282 D C 2.348 178.672 176.300 0.039 0.000 1.001 282 D CA 1.719 55.745 54.000 0.044 0.000 0.849 282 D CB -0.136 40.690 40.800 0.043 0.000 0.939 282 D HN 0.369 nan 8.370 nan 0.000 0.449 283 R N 1.402 121.940 120.500 0.063 0.000 2.139 283 R HA -0.145 4.195 4.340 0.000 0.000 0.243 283 R C 2.132 178.445 176.300 0.021 0.000 1.145 283 R CA 1.434 57.568 56.100 0.057 0.000 0.976 283 R CB -0.403 29.962 30.300 0.108 0.000 0.866 283 R HN 0.142 nan 8.270 nan 0.000 0.449 284 R N 0.170 120.674 120.500 0.008 0.000 2.061 284 R HA -0.079 4.261 4.340 0.000 0.000 0.230 284 R C 2.153 178.420 176.300 -0.056 0.000 1.140 284 R CA 1.955 58.027 56.100 -0.047 0.000 0.940 284 R CB -0.319 29.946 30.300 -0.059 0.000 0.839 284 R HN 0.170 nan 8.270 nan 0.000 0.429 285 K N 0.038 120.418 120.400 -0.033 0.000 2.103 285 K HA -0.226 4.094 4.320 0.000 0.000 0.207 285 K C 1.864 178.433 176.600 -0.051 0.000 1.048 285 K CA 1.906 58.169 56.287 -0.040 0.000 0.930 285 K CB -0.015 32.473 32.500 -0.020 0.000 0.716 285 K HN 0.082 nan 8.250 nan 0.000 0.444 286 E N 0.486 120.665 120.200 -0.036 0.000 2.110 286 E HA -0.127 4.223 4.350 0.000 0.000 0.193 286 E C 1.781 178.342 176.600 -0.065 0.000 0.988 286 E CA 1.481 57.858 56.400 -0.039 0.000 0.804 286 E CB 0.020 29.711 29.700 -0.014 0.000 0.745 286 E HN 0.349 nan 8.360 nan 0.000 0.458 287 M N -0.710 118.853 119.600 -0.062 0.000 2.288 287 M HA -0.020 4.460 4.480 0.000 0.000 0.266 287 M C 1.979 178.165 176.300 -0.191 0.000 1.072 287 M CA 0.712 55.965 55.300 -0.077 0.000 1.132 287 M CB -0.036 32.557 32.600 -0.012 0.000 1.386 287 M HN 0.121 nan 8.290 nan 0.000 0.432 288 L N 0.089 121.210 121.223 -0.169 0.000 2.191 288 L HA -0.209 4.131 4.340 0.000 0.000 0.212 288 L C 2.297 179.059 176.870 -0.180 0.000 1.103 288 L CA 1.247 55.975 54.840 -0.187 0.000 0.769 288 L CB -0.396 41.585 42.059 -0.129 0.000 0.908 288 L HN 0.283 nan 8.230 nan 0.000 0.438 289 K N -0.473 119.833 120.400 -0.157 0.000 2.076 289 K HA -0.114 4.206 4.320 0.000 0.000 0.204 289 K C 1.644 178.121 176.600 -0.206 0.000 1.051 289 K CA 1.021 57.222 56.287 -0.143 0.000 0.949 289 K CB -0.122 32.317 32.500 -0.102 0.000 0.726 289 K HN 0.264 nan 8.250 nan 0.000 0.443 290 D N 1.238 121.467 120.400 -0.286 0.000 2.158 290 D HA -0.176 4.464 4.640 0.000 0.000 0.197 290 D C 1.903 177.859 176.300 -0.573 0.000 0.995 290 D CA 1.204 54.934 54.000 -0.450 0.000 0.846 290 D CB -0.024 40.384 40.800 -0.653 0.000 0.941 290 D HN 0.220 nan 8.370 nan 0.000 0.456 291 I N 1.202 121.453 120.570 -0.532 0.000 2.193 291 I HA -0.199 3.971 4.170 0.000 0.000 0.240 291 I C 2.710 178.709 176.117 -0.197 0.000 1.084 291 I CA 0.763 61.839 61.300 -0.372 0.000 1.365 291 I CB -0.329 37.508 38.000 -0.271 0.000 1.064 291 I HN -0.108 nan 8.210 nan 0.000 0.410 292 A N 1.054 123.778 122.820 -0.159 0.000 1.917 292 A HA -0.256 4.064 4.320 0.000 0.000 0.219 292 A C 2.534 180.065 177.584 -0.089 0.000 1.182 292 A CA 2.206 54.185 52.037 -0.096 0.000 0.633 292 A CB -0.907 18.043 19.000 -0.084 0.000 0.819 292 A HN 0.469 nan 8.150 nan 0.000 0.448 293 A N -0.587 122.163 122.820 -0.118 0.000 1.851 293 A HA -0.057 4.263 4.320 0.000 0.000 0.216 293 A C 2.157 179.697 177.584 -0.074 0.000 1.195 293 A CA 2.056 54.037 52.037 -0.094 0.000 0.622 293 A CB -1.061 17.872 19.000 -0.111 0.000 0.831 293 A HN 0.595 nan 8.150 nan 0.000 0.444 294 V N -0.164 119.693 119.914 -0.095 0.000 2.970 294 V HA -0.125 3.995 4.120 0.000 0.000 0.260 294 V C 2.390 178.468 176.094 -0.026 0.000 1.100 294 V CA 2.079 64.350 62.300 -0.049 0.000 1.122 294 V CB -1.102 30.698 31.823 -0.038 0.000 0.721 294 V HN 0.622 nan 8.190 nan 0.000 0.483 295 T N -0.431 114.102 114.554 -0.036 0.000 2.939 295 T HA 0.293 4.643 4.350 0.000 0.000 0.254 295 T C 1.507 176.203 174.700 -0.006 0.000 1.041 295 T CA 1.117 63.209 62.100 -0.013 0.000 1.142 295 T CB 0.119 68.983 68.868 -0.008 0.000 0.874 295 T HN 0.765 nan 8.240 nan 0.000 0.452 296 G N 1.040 109.832 108.800 -0.014 0.000 2.167 296 G HA2 0.132 4.092 3.960 0.000 0.000 0.194 296 G HA3 0.132 4.092 3.960 0.000 0.000 0.194 296 G C 0.153 175.057 174.900 0.006 0.000 1.027 296 G CA -0.332 44.765 45.100 -0.005 0.000 0.717 296 G HN 0.859 nan 8.290 nan 0.000 0.501 297 G N -1.519 107.279 108.800 -0.004 0.000 3.140 297 G HA2 0.902 4.863 3.960 0.000 0.000 0.271 297 G HA3 0.902 4.863 3.960 0.000 0.000 0.271 297 G C -0.654 174.232 174.900 -0.022 0.000 1.370 297 G CA 0.150 45.253 45.100 0.004 0.000 1.014 297 G HN 0.811 nan 8.290 nan 0.000 0.541 298 T N -0.168 114.374 114.554 -0.020 0.000 2.916 298 T HA 0.373 4.724 4.350 0.000 0.000 0.298 298 T C -0.323 174.364 174.700 -0.021 0.000 1.031 298 T CA -0.393 61.684 62.100 -0.038 0.000 0.993 298 T CB 1.871 70.700 68.868 -0.065 0.000 1.045 298 T HN 0.412 nan 8.240 nan 0.000 0.454 299 V N 3.984 123.880 119.914 -0.029 0.000 2.416 299 V HA 0.050 4.170 4.120 0.000 0.000 0.260 299 V C 0.923 177.034 176.094 0.029 0.000 1.018 299 V CA 0.080 62.373 62.300 -0.012 0.000 1.120 299 V CB -0.980 30.826 31.823 -0.029 0.000 1.081 299 V HN 0.789 nan 8.190 nan 0.000 0.474 300 I N 5.372 125.988 120.570 0.076 0.000 2.668 300 I HA -0.012 4.158 4.170 0.000 0.000 0.309 300 I C 0.992 177.193 176.117 0.139 0.000 1.195 300 I CA 0.433 61.843 61.300 0.185 0.000 1.919 300 I CB -0.417 37.706 38.000 0.204 0.000 1.551 300 I HN 0.729 nan 8.210 nan 0.000 0.908 301 S N 3.169 118.938 115.700 0.115 0.000 2.499 301 S HA 0.265 4.735 4.470 0.000 0.000 0.279 301 S C 0.998 175.656 174.600 0.097 0.000 1.219 301 S CA -0.879 57.366 58.200 0.076 0.000 1.062 301 S CB 1.829 65.054 63.200 0.041 0.000 0.978 301 S HN 0.376 nan 8.310 nan 0.000 0.489 302 E N 2.732 122.968 120.200 0.061 0.000 2.268 302 E HA -0.137 4.213 4.350 0.000 0.000 0.195 302 E C 1.447 178.077 176.600 0.050 0.000 0.995 302 E CA 0.952 57.381 56.400 0.049 0.000 0.836 302 E CB -0.191 29.520 29.700 0.017 0.000 0.763 302 E HN 0.852 nan 8.360 nan 0.000 0.491 303 E N 0.952 121.177 120.200 0.042 0.000 2.021 303 E HA -0.140 4.210 4.350 0.000 0.000 0.200 303 E C 1.539 178.162 176.600 0.039 0.000 1.015 303 E CA 0.835 57.255 56.400 0.033 0.000 0.824 303 E CB -0.221 29.493 29.700 0.024 0.000 0.762 303 E HN 0.223 nan 8.360 nan 0.000 0.454 304 L N 1.312 122.562 121.223 0.045 0.000 2.855 304 L HA 0.108 4.448 4.340 0.000 0.000 0.257 304 L C 0.584 177.499 176.870 0.075 0.000 1.206 304 L CA -0.171 54.694 54.840 0.041 0.000 1.042 304 L CB -1.457 40.615 42.059 0.020 0.000 1.321 304 L HN 0.198 nan 8.230 nan 0.000 0.417 305 G N 1.380 110.230 108.800 0.083 0.000 2.329 305 G HA2 -0.298 3.662 3.960 0.000 0.000 0.204 305 G HA3 -0.298 3.662 3.960 0.000 0.000 0.204 305 G C -0.782 174.246 174.900 0.215 0.000 0.435 305 G CA -0.141 45.021 45.100 0.103 0.000 0.977 305 G HN 0.330 nan 8.290 nan 0.000 0.366 306 F N 2.408 122.353 119.950 -0.008 0.000 2.925 306 F HA 0.431 4.958 4.527 0.000 0.000 0.347 306 F C -0.180 175.614 175.800 -0.010 0.000 1.187 306 F CA -1.312 56.682 58.000 -0.010 0.000 1.189 306 F CB 0.800 39.793 39.000 -0.012 0.000 1.479 306 F HN 0.440 nan 8.300 nan 0.000 0.645 307 K N 5.556 125.562 120.400 -0.657 0.000 2.258 307 K HA 0.354 4.674 4.320 0.000 0.000 0.264 307 K C 0.987 177.075 176.600 -0.852 0.000 1.007 307 K CA -0.459 55.487 56.287 -0.568 0.000 0.941 307 K CB 1.097 33.398 32.500 -0.331 0.000 0.966 307 K HN 0.734 nan 8.250 nan 0.000 0.480 308 L N 2.118 123.078 121.223 -0.438 0.000 2.027 308 L HA -0.203 4.137 4.340 0.000 0.000 0.206 308 L C 2.469 179.191 176.870 -0.246 0.000 1.074 308 L CA 1.125 55.781 54.840 -0.306 0.000 0.745 308 L CB -0.391 41.580 42.059 -0.147 0.000 0.898 308 L HN 0.764 nan 8.230 nan 0.000 0.433 309 E N 0.026 120.106 120.200 -0.201 0.000 2.171 309 E HA -0.251 4.099 4.350 0.000 0.000 0.197 309 E C 0.715 177.243 176.600 -0.121 0.000 0.997 309 E CA 1.337 57.659 56.400 -0.130 0.000 0.810 309 E CB -0.771 28.868 29.700 -0.102 0.000 0.738 309 E HN 0.538 nan 8.360 nan 0.000 0.467 310 N N 1.400 119.977 118.700 -0.206 0.000 2.362 310 N HA 0.189 4.929 4.740 0.000 0.000 0.211 310 N C -0.357 175.222 175.510 0.115 0.000 1.170 310 N CA 0.526 53.528 53.050 -0.080 0.000 0.828 310 N CB 0.552 38.992 38.487 -0.079 0.000 1.034 310 N HN 0.212 nan 8.380 nan 0.000 0.475 311 A N 0.402 123.262 122.820 0.066 0.000 2.289 311 A HA 0.446 4.766 4.320 0.000 0.000 0.298 311 A C 0.502 178.155 177.584 0.115 0.000 1.208 311 A CA -0.326 51.859 52.037 0.247 0.000 0.845 311 A CB 0.505 19.608 19.000 0.171 0.000 1.125 311 A HN 0.055 nan 8.150 nan 0.000 0.517 312 T N 2.455 117.075 114.554 0.111 0.000 2.910 312 T HA 0.197 4.547 4.350 0.000 0.000 0.293 312 T C 1.005 175.686 174.700 -0.032 0.000 1.015 312 T CA -0.185 61.929 62.100 0.023 0.000 1.094 312 T CB 0.690 69.566 68.868 0.013 0.000 0.968 312 T HN 0.564 nan 8.240 nan 0.000 0.521 313 L N 3.329 124.499 121.223 -0.089 0.000 2.869 313 L HA 0.111 4.451 4.340 0.000 0.000 0.259 313 L C 1.396 178.179 176.870 -0.146 0.000 1.162 313 L CA 0.804 55.523 54.840 -0.201 0.000 0.975 313 L CB -1.296 40.609 42.059 -0.258 0.000 1.217 313 L HN 0.770 nan 8.230 nan 0.000 0.418 314 S N -3.555 112.114 115.700 -0.053 0.000 2.684 314 S HA 0.135 4.606 4.470 0.000 0.000 0.268 314 S C 1.348 175.954 174.600 0.010 0.000 1.075 314 S CA -0.238 57.962 58.200 -0.001 0.000 1.184 314 S CB -0.267 62.932 63.200 -0.002 0.000 1.129 314 S HN 0.357 nan 8.310 nan 0.000 0.630 315 M N 2.443 122.043 119.600 0.000 0.000 2.492 315 M HA 0.301 4.781 4.480 0.000 0.000 0.262 315 M C 0.579 176.893 176.300 0.023 0.000 1.090 315 M CA 0.523 55.821 55.300 -0.004 0.000 1.110 315 M CB -0.281 32.320 32.600 0.001 0.000 1.407 315 M HN 0.428 nan 8.290 nan 0.000 0.470 316 L N -0.495 120.756 121.223 0.046 0.000 2.264 316 L HA 0.749 5.089 4.340 0.000 0.000 0.289 316 L C 0.261 177.217 176.870 0.143 0.000 1.044 316 L CA -0.829 54.062 54.840 0.086 0.000 0.807 316 L CB 0.461 42.575 42.059 0.092 0.000 1.192 316 L HN 0.006 nan 8.230 nan 0.000 0.425 317 G N 3.898 112.757 108.800 0.098 0.000 2.570 317 G HA2 0.570 4.530 3.960 0.000 0.000 0.276 317 G HA3 0.570 4.530 3.960 0.000 0.000 0.276 317 G C -0.441 174.520 174.900 0.101 0.000 1.346 317 G CA -0.747 44.404 45.100 0.085 0.000 1.034 317 G HN 1.042 nan 8.290 nan 0.000 0.512 318 R N -2.606 117.908 120.500 0.022 0.000 2.716 318 R HA 0.730 5.070 4.340 0.000 0.000 0.271 318 R C -1.268 174.992 176.300 -0.065 0.000 1.028 318 R CA -0.724 55.337 56.100 -0.065 0.000 0.883 318 R CB 1.120 31.268 30.300 -0.253 0.000 1.250 318 R HN 1.100 nan 8.270 nan 0.000 0.465 319 A N 0.449 123.219 122.820 -0.084 0.000 2.569 319 A HA 0.407 4.727 4.320 0.000 0.000 0.290 319 A C 0.020 177.563 177.584 -0.069 0.000 1.136 319 A CA -0.798 51.208 52.037 -0.051 0.000 0.710 319 A CB 1.791 20.784 19.000 -0.010 0.000 1.303 319 A HN 0.891 nan 8.150 nan 0.000 0.413 320 E N -0.278 119.895 120.200 -0.044 0.000 2.150 320 E HA -0.052 4.298 4.350 0.000 0.000 0.193 320 E C 0.620 177.198 176.600 -0.036 0.000 0.985 320 E CA 0.924 57.298 56.400 -0.044 0.000 0.814 320 E CB 0.215 29.899 29.700 -0.026 0.000 0.752 320 E HN 0.424 nan 8.360 nan 0.000 0.466 321 R N 0.031 120.518 120.500 -0.022 0.000 2.561 321 R HA 0.327 4.667 4.340 0.000 0.000 0.266 321 R C -2.083 174.217 176.300 0.001 0.000 1.091 321 R CA -0.314 55.779 56.100 -0.013 0.000 0.927 321 R CB 1.939 32.234 30.300 -0.008 0.000 1.240 321 R HN -0.134 nan 8.270 nan 0.000 0.449 322 V N 4.391 124.307 119.914 0.004 0.000 2.487 322 V HA 0.512 4.632 4.120 0.000 0.000 0.298 322 V C -0.548 175.557 176.094 0.017 0.000 1.028 322 V CA -0.708 61.603 62.300 0.018 0.000 0.860 322 V CB 1.760 33.599 31.823 0.026 0.000 0.991 322 V HN 0.672 nan 8.190 nan 0.000 0.427 323 R N 5.620 126.128 120.500 0.012 0.000 2.343 323 R HA 0.710 5.050 4.340 0.000 0.000 0.320 323 R C -1.429 174.875 176.300 0.006 0.000 0.956 323 R CA -0.475 55.633 56.100 0.013 0.000 0.836 323 R CB 1.083 31.384 30.300 0.003 0.000 1.151 323 R HN 0.703 nan 8.270 nan 0.000 0.450 324 I N 3.462 124.063 120.570 0.052 0.000 2.406 324 I HA 0.312 4.483 4.170 0.000 0.000 0.290 324 I C -0.077 176.128 176.117 0.147 0.000 0.999 324 I CA -0.678 60.666 61.300 0.073 0.000 1.124 324 I CB 2.244 40.338 38.000 0.157 0.000 1.289 324 I HN 0.561 nan 8.210 nan 0.000 0.441 325 T N 3.948 118.485 114.554 -0.028 0.000 2.950 325 T HA 0.204 4.554 4.350 0.000 0.000 0.288 325 T C 0.908 175.274 174.700 -0.557 0.000 1.035 325 T CA -0.658 61.379 62.100 -0.105 0.000 1.028 325 T CB 2.104 70.913 68.868 -0.098 0.000 1.109 325 T HN 0.605 nan 8.240 nan 0.000 0.514 326 K N 0.458 120.390 120.400 -0.780 0.000 2.442 326 K HA -0.073 4.247 4.320 0.000 0.000 0.198 326 K C 0.297 176.623 176.600 -0.456 0.000 1.044 326 K CA 1.347 57.030 56.287 -1.006 0.000 0.948 326 K CB 0.199 32.386 32.500 -0.522 0.000 0.762 326 K HN 0.429 nan 8.250 nan 0.000 0.472 327 D N -0.626 119.591 120.400 -0.304 0.000 2.498 327 D HA 0.041 4.681 4.640 0.000 0.000 0.223 327 D C -0.377 175.805 176.300 -0.197 0.000 1.125 327 D CA 0.135 54.020 54.000 -0.192 0.000 0.835 327 D CB 0.949 41.676 40.800 -0.120 0.000 1.086 327 D HN 0.221 nan 8.370 nan 0.000 0.510 328 E N 0.343 120.400 120.200 -0.238 0.000 2.352 328 E HA 0.317 4.667 4.350 0.000 0.000 0.280 328 E C -1.463 174.944 176.600 -0.322 0.000 0.930 328 E CA -0.335 55.902 56.400 -0.271 0.000 0.765 328 E CB 2.030 31.619 29.700 -0.186 0.000 1.219 328 E HN -0.271 nan 8.360 nan 0.000 0.434 329 T N 2.208 116.445 114.554 -0.527 0.000 2.823 329 T HA 0.549 4.900 4.350 0.000 0.000 0.279 329 T C -0.995 173.519 174.700 -0.310 0.000 0.998 329 T CA -0.474 61.337 62.100 -0.483 0.000 0.994 329 T CB 1.615 69.985 68.868 -0.831 0.000 0.960 329 T HN 0.384 nan 8.240 nan 0.000 0.448 330 T N 3.072 117.556 114.554 -0.117 0.000 2.881 330 T HA 0.560 4.911 4.350 0.000 0.000 0.290 330 T C -0.448 174.272 174.700 0.034 0.000 1.000 330 T CA -0.550 61.532 62.100 -0.031 0.000 0.978 330 T CB 0.846 69.688 68.868 -0.044 0.000 0.997 330 T HN 0.442 nan 8.240 nan 0.000 0.443 331 I N 3.018 123.640 120.570 0.087 0.000 2.390 331 I HA 0.424 4.594 4.170 0.000 0.000 0.283 331 I C -0.561 175.595 176.117 0.065 0.000 1.016 331 I CA -0.946 60.410 61.300 0.093 0.000 1.151 331 I CB 1.406 39.496 38.000 0.150 0.000 1.293 331 I HN 0.275 nan 8.210 nan 0.000 0.458 332 V N 5.030 124.964 119.914 0.033 0.000 2.435 332 V HA 0.657 4.777 4.120 0.000 0.000 0.290 332 V C 0.766 176.868 176.094 0.012 0.000 1.030 332 V CA -0.221 62.090 62.300 0.017 0.000 0.881 332 V CB 1.367 33.190 31.823 -0.000 0.000 0.983 332 V HN 1.025 nan 8.190 nan 0.000 0.445 333 G N 3.595 112.403 108.800 0.014 0.000 2.325 333 G HA2 -0.092 3.868 3.960 0.000 0.000 0.248 333 G HA3 -0.092 3.868 3.960 0.000 0.000 0.248 333 G C 0.378 175.282 174.900 0.007 0.000 1.108 333 G CA -0.346 44.758 45.100 0.007 0.000 0.881 333 G HN 1.374 nan 8.290 nan 0.000 0.494 334 G N -0.361 108.452 108.800 0.021 0.000 2.340 334 G HA2 0.436 4.397 3.960 0.000 0.000 0.245 334 G HA3 0.436 4.397 3.960 0.000 0.000 0.245 334 G C 0.610 175.514 174.900 0.006 0.000 1.294 334 G CA -0.148 44.962 45.100 0.018 0.000 0.896 334 G HN 0.482 nan 8.290 nan 0.000 0.522 335 K N 2.283 122.680 120.400 -0.005 0.000 2.593 335 K HA 0.185 4.506 4.320 0.000 0.000 0.208 335 K C 1.326 177.923 176.600 -0.005 0.000 1.051 335 K CA -0.257 56.026 56.287 -0.007 0.000 1.111 335 K CB 0.978 33.467 32.500 -0.019 0.000 0.849 335 K HN 0.542 nan 8.250 nan 0.000 0.479 336 G N 1.152 109.948 108.800 -0.006 0.000 2.599 336 G HA2 0.073 4.033 3.960 0.000 0.000 0.264 336 G HA3 0.073 4.033 3.960 0.000 0.000 0.264 336 G C -0.538 174.356 174.900 -0.009 0.000 1.200 336 G CA -0.582 44.511 45.100 -0.011 0.000 0.896 336 G HN 0.138 nan 8.290 nan 0.000 0.536 337 K N 0.499 120.892 120.400 -0.012 0.000 2.416 337 K HA 0.030 4.350 4.320 0.000 0.000 0.283 337 K C 1.302 177.896 176.600 -0.010 0.000 1.037 337 K CA -0.163 56.117 56.287 -0.010 0.000 0.995 337 K CB 1.402 33.894 32.500 -0.013 0.000 0.938 337 K HN 0.614 nan 8.250 nan 0.000 0.475 338 K N 3.414 123.811 120.400 -0.005 0.000 2.362 338 K HA -0.251 4.069 4.320 0.000 0.000 0.202 338 K C 0.612 177.208 176.600 -0.006 0.000 1.045 338 K CA 1.674 57.959 56.287 -0.003 0.000 0.936 338 K CB 0.221 32.721 32.500 0.000 0.000 0.747 338 K HN 0.558 nan 8.250 nan 0.000 0.467 339 E N 0.461 120.655 120.200 -0.010 0.000 2.033 339 E HA -0.141 4.209 4.350 0.000 0.000 0.189 339 E C 1.716 178.306 176.600 -0.017 0.000 0.979 339 E CA 1.128 57.521 56.400 -0.012 0.000 0.802 339 E CB -0.069 29.623 29.700 -0.013 0.000 0.763 339 E HN 0.348 nan 8.360 nan 0.000 0.449 340 D N 1.109 121.496 120.400 -0.022 0.000 2.158 340 D HA -0.178 4.462 4.640 0.000 0.000 0.197 340 D C 2.073 178.352 176.300 -0.034 0.000 0.995 340 D CA 1.006 54.988 54.000 -0.030 0.000 0.846 340 D CB -0.161 40.617 40.800 -0.036 0.000 0.941 340 D HN 0.202 nan 8.370 nan 0.000 0.456 341 I N 1.231 121.784 120.570 -0.027 0.000 2.113 341 I HA -0.244 3.926 4.170 0.000 0.000 0.238 341 I C 2.269 178.377 176.117 -0.015 0.000 1.070 341 I CA 1.222 62.508 61.300 -0.024 0.000 1.332 341 I CB -0.300 37.694 38.000 -0.010 0.000 1.044 341 I HN -0.078 nan 8.210 nan 0.000 0.402 342 E N 0.866 121.061 120.200 -0.009 0.000 2.331 342 E HA -0.201 4.149 4.350 0.000 0.000 0.199 342 E C 2.174 178.769 176.600 -0.010 0.000 1.008 342 E CA 0.983 57.380 56.400 -0.005 0.000 0.843 342 E CB -0.151 29.546 29.700 -0.004 0.000 0.761 342 E HN 0.526 nan 8.360 nan 0.000 0.507 343 A N 1.603 124.413 122.820 -0.016 0.000 1.873 343 A HA -0.178 4.142 4.320 0.000 0.000 0.215 343 A C 2.031 179.602 177.584 -0.020 0.000 1.186 343 A CA 1.073 53.099 52.037 -0.019 0.000 0.616 343 A CB -0.134 18.851 19.000 -0.024 0.000 0.823 343 A HN 0.023 nan 8.150 nan 0.000 0.442 344 R N 0.056 120.540 120.500 -0.027 0.000 2.066 344 R HA 0.017 4.357 4.340 0.000 0.000 0.232 344 R C 2.014 178.306 176.300 -0.012 0.000 1.131 344 R CA 1.354 57.437 56.100 -0.028 0.000 0.955 344 R CB -1.327 28.945 30.300 -0.048 0.000 0.851 344 R HN 0.640 nan 8.270 nan 0.000 0.432 345 I N 1.786 122.353 120.570 -0.005 0.000 2.145 345 I HA -0.362 3.808 4.170 0.000 0.000 0.244 345 I C 1.876 177.995 176.117 0.003 0.000 1.075 345 I CA 1.537 62.841 61.300 0.006 0.000 1.332 345 I CB -0.432 37.574 38.000 0.010 0.000 1.033 345 I HN 0.198 nan 8.210 nan 0.000 0.410 346 N N 0.935 119.633 118.700 -0.002 0.000 2.148 346 N HA -0.070 4.670 4.740 0.000 0.000 0.186 346 N C 1.964 177.472 175.510 -0.004 0.000 1.031 346 N CA 1.574 54.622 53.050 -0.003 0.000 0.848 346 N CB -0.679 37.806 38.487 -0.004 0.000 1.005 346 N HN 0.402 nan 8.380 nan 0.000 0.427 347 G N 1.336 110.131 108.800 -0.007 0.000 2.501 347 G HA2 -0.180 3.781 3.960 0.000 0.000 0.220 347 G HA3 -0.180 3.781 3.960 0.000 0.000 0.220 347 G C 1.533 176.429 174.900 -0.006 0.000 1.114 347 G CA 0.155 45.251 45.100 -0.008 0.000 0.757 347 G HN 0.284 nan 8.290 nan 0.000 0.559 348 I N -0.618 119.950 120.570 -0.003 0.000 2.480 348 I HA 0.034 4.204 4.170 0.000 0.000 0.251 348 I C 2.573 178.690 176.117 0.001 0.000 1.124 348 I CA 0.697 61.997 61.300 -0.000 0.000 1.444 348 I CB 0.067 38.070 38.000 0.005 0.000 1.098 348 I HN 0.090 nan 8.210 nan 0.000 0.428 349 K N 0.601 121.002 120.400 0.001 0.000 2.103 349 K HA -0.142 4.179 4.320 0.000 0.000 0.204 349 K C 2.006 178.606 176.600 0.000 0.000 1.052 349 K CA 1.085 57.373 56.287 0.001 0.000 0.945 349 K CB -0.015 32.486 32.500 0.002 0.000 0.722 349 K HN 0.271 nan 8.250 nan 0.000 0.443 350 K N 1.199 121.598 120.400 -0.001 0.000 2.026 350 K HA -0.187 4.134 4.320 0.000 0.000 0.208 350 K C 2.111 178.711 176.600 0.000 0.000 1.048 350 K CA 1.381 57.667 56.287 -0.001 0.000 0.929 350 K CB -0.030 32.469 32.500 -0.002 0.000 0.713 350 K HN 0.206 nan 8.250 nan 0.000 0.439 351 E N 0.907 121.107 120.200 -0.000 0.000 2.418 351 E HA -0.152 4.198 4.350 0.000 0.000 0.197 351 E C 1.731 178.332 176.600 0.001 0.000 1.026 351 E CA 0.251 56.651 56.400 0.001 0.000 0.862 351 E CB 0.164 29.864 29.700 0.001 0.000 0.799 351 E HN 0.078 nan 8.360 nan 0.000 0.518 352 L N 1.019 122.242 121.223 0.000 0.000 2.240 352 L HA -0.025 4.315 4.340 0.000 0.000 0.211 352 L C 1.539 178.410 176.870 0.001 0.000 1.106 352 L CA 1.569 56.408 54.840 -0.001 0.000 0.793 352 L CB 0.051 42.109 42.059 -0.002 0.000 0.927 352 L HN 0.077 nan 8.230 nan 0.000 0.446 353 E N -1.870 118.332 120.200 0.002 0.000 2.230 353 E HA -0.060 4.290 4.350 0.000 0.000 0.192 353 E C 1.557 178.159 176.600 0.005 0.000 0.987 353 E CA 1.119 57.521 56.400 0.003 0.000 0.841 353 E CB 0.085 29.786 29.700 0.002 0.000 0.783 353 E HN 0.392 nan 8.360 nan 0.000 0.481 354 T N 0.509 115.066 114.554 0.005 0.000 3.067 354 T HA 0.010 4.360 4.350 0.000 0.000 0.261 354 T C 0.795 175.500 174.700 0.009 0.000 1.110 354 T CA 0.386 62.490 62.100 0.007 0.000 1.113 354 T CB 0.147 69.018 68.868 0.006 0.000 0.917 354 T HN 0.035 nan 8.240 nan 0.000 0.499 355 T N 3.160 117.719 114.554 0.009 0.000 2.919 355 T HA 0.130 4.481 4.350 0.000 0.000 0.302 355 T C 0.855 175.564 174.700 0.014 0.000 1.031 355 T CA -0.335 61.772 62.100 0.012 0.000 1.127 355 T CB 0.741 69.613 68.868 0.007 0.000 0.952 355 T HN 0.411 nan 8.240 nan 0.000 0.540 356 D N -0.072 120.340 120.400 0.021 0.000 2.403 356 D HA -0.006 4.634 4.640 0.000 0.000 0.280 356 D C 0.660 176.979 176.300 0.031 0.000 1.091 356 D CA -0.102 53.912 54.000 0.023 0.000 0.884 356 D CB -0.130 40.682 40.800 0.021 0.000 1.427 356 D HN 0.507 nan 8.370 nan 0.000 0.504 357 S N 0.994 116.720 115.700 0.043 0.000 2.455 357 S HA 0.158 4.628 4.470 0.000 0.000 0.278 357 S C 0.940 175.582 174.600 0.071 0.000 1.216 357 S CA -0.512 57.727 58.200 0.065 0.000 1.055 357 S CB 1.685 64.939 63.200 0.090 0.000 0.939 357 S HN 0.057 nan 8.310 nan 0.000 0.494 358 E N 1.665 121.907 120.200 0.071 0.000 2.169 358 E HA -0.276 4.074 4.350 0.000 0.000 0.202 358 E C 1.176 177.826 176.600 0.083 0.000 1.016 358 E CA 1.891 58.330 56.400 0.065 0.000 0.817 358 E CB -0.381 29.359 29.700 0.067 0.000 0.736 358 E HN 0.934 nan 8.360 nan 0.000 0.462 359 Y N 1.136 121.445 120.300 0.015 0.000 2.145 359 Y HA -0.233 4.317 4.550 0.000 0.000 0.286 359 Y C 2.319 178.232 175.900 0.023 0.000 1.145 359 Y CA 1.455 59.566 58.100 0.018 0.000 1.148 359 Y CB -0.591 37.879 38.460 0.017 0.000 0.981 359 Y HN -0.002 nan 8.280 nan 0.000 0.507 360 A N 0.533 123.323 122.820 -0.051 0.000 1.940 360 A HA -0.213 4.107 4.320 0.000 0.000 0.219 360 A C 2.307 179.809 177.584 -0.137 0.000 1.176 360 A CA 1.844 53.807 52.037 -0.122 0.000 0.631 360 A CB -0.637 18.370 19.000 0.011 0.000 0.814 360 A HN 0.564 nan 8.150 nan 0.000 0.446 361 R N -0.350 120.103 120.500 -0.079 0.000 2.075 361 R HA -0.141 4.199 4.340 0.000 0.000 0.230 361 R C 2.172 178.422 176.300 -0.084 0.000 1.140 361 R CA 1.711 57.776 56.100 -0.058 0.000 0.928 361 R CB -0.476 29.811 30.300 -0.022 0.000 0.834 361 R HN 0.672 nan 8.270 nan 0.000 0.429 362 E N 0.833 120.973 120.200 -0.101 0.000 2.171 362 E HA -0.272 4.078 4.350 0.000 0.000 0.197 362 E C 1.965 178.486 176.600 -0.132 0.000 0.997 362 E CA 1.701 58.043 56.400 -0.096 0.000 0.810 362 E CB -0.122 29.527 29.700 -0.085 0.000 0.738 362 E HN 0.425 nan 8.360 nan 0.000 0.467 363 K N 0.674 120.933 120.400 -0.234 0.000 2.167 363 K HA -0.093 4.227 4.320 0.000 0.000 0.203 363 K C 1.946 178.484 176.600 -0.103 0.000 1.052 363 K CA 0.788 56.947 56.287 -0.214 0.000 0.956 363 K CB -0.041 32.232 32.500 -0.378 0.000 0.735 363 K HN -0.010 nan 8.250 nan 0.000 0.451 364 L N 1.753 122.926 121.223 -0.084 0.000 2.156 364 L HA -0.074 4.266 4.340 0.000 0.000 0.208 364 L C 2.558 179.417 176.870 -0.019 0.000 1.095 364 L CA 1.246 56.066 54.840 -0.034 0.000 0.770 364 L CB -0.453 41.590 42.059 -0.026 0.000 0.914 364 L HN 0.193 nan 8.230 nan 0.000 0.439 365 Q N 0.266 120.046 119.800 -0.033 0.000 2.077 365 Q HA -0.270 4.070 4.340 0.000 0.000 0.206 365 Q C 2.078 178.072 176.000 -0.010 0.000 0.989 365 Q CA 2.164 57.956 55.803 -0.019 0.000 0.853 365 Q CB -0.411 28.311 28.738 -0.026 0.000 0.907 365 Q HN 0.767 nan 8.270 nan 0.000 0.418 366 E N 0.152 120.339 120.200 -0.021 0.000 2.072 366 E HA -0.140 4.210 4.350 0.000 0.000 0.191 366 E C 2.058 178.658 176.600 0.001 0.000 0.985 366 E CA 0.644 57.033 56.400 -0.019 0.000 0.801 366 E CB -0.316 29.363 29.700 -0.034 0.000 0.750 366 E HN 0.215 nan 8.360 nan 0.000 0.452 367 R N 0.244 120.763 120.500 0.031 0.000 2.081 367 R HA -0.103 4.237 4.340 0.000 0.000 0.235 367 R C 2.507 178.873 176.300 0.110 0.000 1.131 367 R CA 1.286 57.455 56.100 0.114 0.000 0.960 367 R CB -0.470 29.901 30.300 0.118 0.000 0.856 367 R HN 0.188 nan 8.270 nan 0.000 0.436 368 L N 0.754 122.011 121.223 0.057 0.000 2.012 368 L HA -0.124 4.216 4.340 0.000 0.000 0.210 368 L C 2.161 179.060 176.870 0.049 0.000 1.073 368 L CA 2.091 56.959 54.840 0.046 0.000 0.748 368 L CB -0.652 41.422 42.059 0.023 0.000 0.891 368 L HN 0.138 nan 8.230 nan 0.000 0.431 369 A N -1.236 121.605 122.820 0.035 0.000 2.066 369 A HA -0.138 4.182 4.320 0.000 0.000 0.218 369 A C 2.266 179.873 177.584 0.037 0.000 1.157 369 A CA 1.419 53.473 52.037 0.029 0.000 0.670 369 A CB -0.389 18.618 19.000 0.011 0.000 0.804 369 A HN 0.516 nan 8.150 nan 0.000 0.453 370 K N -0.308 120.118 120.400 0.044 0.000 2.007 370 K HA 0.050 4.370 4.320 0.000 0.000 0.206 370 K C 1.827 178.513 176.600 0.142 0.000 1.047 370 K CA 1.239 57.555 56.287 0.047 0.000 0.937 370 K CB -0.363 32.106 32.500 -0.052 0.000 0.718 370 K HN 0.420 nan 8.250 nan 0.000 0.438 371 L N 1.268 122.604 121.223 0.189 0.000 1.976 371 L HA -0.105 4.235 4.340 0.000 0.000 0.209 371 L C 1.412 178.340 176.870 0.096 0.000 1.071 371 L CA 0.616 55.546 54.840 0.150 0.000 0.746 371 L CB -0.591 41.532 42.059 0.106 0.000 0.890 371 L HN 0.127 nan 8.230 nan 0.000 0.432 372 A N -0.652 122.214 122.820 0.076 0.000 2.346 372 A HA 0.413 4.733 4.320 0.000 0.000 0.252 372 A C 1.407 179.037 177.584 0.076 0.000 1.089 372 A CA 0.375 52.449 52.037 0.062 0.000 0.797 372 A CB -0.021 19.006 19.000 0.046 0.000 1.047 372 A HN 0.578 nan 8.150 nan 0.000 0.494 373 G N -0.261 108.591 108.800 0.087 0.000 2.674 373 G HA2 0.049 4.009 3.960 0.000 0.000 0.236 373 G HA3 0.049 4.009 3.960 0.000 0.000 0.236 373 G C 1.827 176.825 174.900 0.163 0.000 1.178 373 G CA 1.325 46.503 45.100 0.130 0.000 0.721 373 G HN 3.004 nan 8.290 nan 0.000 0.515 374 G N -1.698 107.170 108.800 0.113 0.000 2.527 374 G HA2 0.067 4.027 3.960 0.000 0.000 0.262 374 G HA3 0.067 4.027 3.960 0.000 0.000 0.262 374 G C 0.114 175.050 174.900 0.059 0.000 1.153 374 G CA 1.098 46.259 45.100 0.103 0.000 0.954 374 G HN 1.769 nan 8.290 nan 0.000 0.552 375 V N 1.462 121.390 119.914 0.023 0.000 2.454 375 V HA 0.658 4.778 4.120 0.000 0.000 0.267 375 V C 0.700 176.692 176.094 -0.170 0.000 0.993 375 V CA 0.056 62.327 62.300 -0.048 0.000 0.836 375 V CB 0.693 32.508 31.823 -0.014 0.000 1.055 375 V HN 1.980 nan 8.190 nan 0.000 0.452 376 A N 4.543 127.170 122.820 -0.321 0.000 2.537 376 A HA 0.496 4.816 4.320 0.000 0.000 0.260 376 A C -0.064 177.299 177.584 -0.367 0.000 1.082 376 A CA 0.378 52.026 52.037 -0.649 0.000 0.765 376 A CB 0.104 18.678 19.000 -0.710 0.000 1.019 376 A HN 0.630 nan 8.150 nan 0.000 0.507 377 V N 4.422 124.145 119.914 -0.317 0.000 2.581 377 V HA 0.380 4.500 4.120 0.000 0.000 0.303 377 V C 0.103 176.111 176.094 -0.143 0.000 1.041 377 V CA -0.347 61.853 62.300 -0.167 0.000 0.907 377 V CB 1.812 33.578 31.823 -0.095 0.000 0.994 377 V HN 0.718 nan 8.190 nan 0.000 0.442 378 I N 5.107 125.621 120.570 -0.094 0.000 2.503 378 I HA 0.367 4.537 4.170 0.000 0.000 0.277 378 I C 0.132 176.237 176.117 -0.020 0.000 1.078 378 I CA -0.627 60.630 61.300 -0.072 0.000 1.184 378 I CB 0.590 38.538 38.000 -0.088 0.000 1.353 378 I HN 0.460 nan 8.210 nan 0.000 0.490 379 R N 4.112 124.605 120.500 -0.012 0.000 2.446 379 R HA 0.172 4.512 4.340 0.000 0.000 0.314 379 R C -0.465 175.861 176.300 0.043 0.000 1.003 379 R CA -0.150 55.959 56.100 0.015 0.000 1.018 379 R CB 0.675 30.982 30.300 0.011 0.000 0.945 379 R HN 0.246 nan 8.270 nan 0.000 0.419 380 V N 3.134 123.096 119.914 0.080 0.000 2.406 380 V HA 0.297 4.417 4.120 0.000 0.000 0.272 380 V C 1.054 177.212 176.094 0.107 0.000 1.043 380 V CA -0.588 61.801 62.300 0.148 0.000 0.915 380 V CB 1.469 33.414 31.823 0.204 0.000 0.988 380 V HN 0.840 nan 8.190 nan 0.000 0.466 381 G N 3.300 112.170 108.800 0.116 0.000 2.356 381 G HA2 0.714 4.674 3.960 0.000 0.000 0.298 381 G HA3 0.714 4.674 3.960 0.000 0.000 0.298 381 G C -0.179 174.763 174.900 0.071 0.000 1.145 381 G CA 0.404 45.549 45.100 0.076 0.000 0.850 381 G HN 1.079 nan 8.290 nan 0.000 0.487 382 A N 0.972 123.815 122.820 0.039 0.000 3.005 382 A HA 0.939 5.259 4.320 0.000 0.000 0.282 382 A C 0.550 178.143 177.584 0.014 0.000 1.218 382 A CA 0.346 52.395 52.037 0.021 0.000 0.703 382 A CB 0.731 19.733 19.000 0.003 0.000 1.387 382 A HN 1.809 nan 8.150 nan 0.000 0.592 383 A N -1.929 120.894 122.820 0.005 0.000 2.167 383 A HA 0.528 4.849 4.320 0.000 0.000 0.184 383 A C 0.553 178.136 177.584 -0.002 0.000 1.675 383 A CA 1.299 53.338 52.037 0.003 0.000 1.215 383 A CB 0.043 19.045 19.000 0.003 0.000 1.427 383 A HN 0.818 nan 8.150 nan 0.000 0.457 384 T N -0.795 113.754 114.554 -0.007 0.000 2.924 384 T HA 0.349 4.699 4.350 0.000 0.000 0.291 384 T C 0.619 175.311 174.700 -0.013 0.000 1.045 384 T CA -0.211 61.883 62.100 -0.010 0.000 1.015 384 T CB 2.258 71.117 68.868 -0.014 0.000 1.103 384 T HN 0.302 nan 8.240 nan 0.000 0.496 385 E N 0.602 120.794 120.200 -0.014 0.000 2.204 385 E HA -0.120 4.230 4.350 0.000 0.000 0.194 385 E C 1.324 177.910 176.600 -0.023 0.000 0.989 385 E CA 1.180 57.571 56.400 -0.015 0.000 0.824 385 E CB 0.131 29.823 29.700 -0.014 0.000 0.756 385 E HN 0.644 nan 8.360 nan 0.000 0.477 386 T N 0.429 114.968 114.554 -0.025 0.000 2.706 386 T HA -0.165 4.185 4.350 0.000 0.000 0.255 386 T C 1.676 176.351 174.700 -0.041 0.000 1.048 386 T CA 1.183 63.263 62.100 -0.033 0.000 1.153 386 T CB -0.378 68.472 68.868 -0.030 0.000 0.865 386 T HN 0.286 nan 8.240 nan 0.000 0.414 387 E N 0.564 120.741 120.200 -0.037 0.000 2.187 387 E HA -0.210 4.140 4.350 0.000 0.000 0.199 387 E C 2.078 178.641 176.600 -0.063 0.000 1.004 387 E CA 0.946 57.317 56.400 -0.047 0.000 0.813 387 E CB -0.180 29.501 29.700 -0.032 0.000 0.736 387 E HN 0.269 nan 8.360 nan 0.000 0.468 388 L N 1.260 122.456 121.223 -0.046 0.000 1.988 388 L HA -0.143 4.197 4.340 0.000 0.000 0.207 388 L C 2.129 178.964 176.870 -0.058 0.000 1.071 388 L CA 1.904 56.717 54.840 -0.045 0.000 0.744 388 L CB -0.344 41.704 42.059 -0.019 0.000 0.893 388 L HN -0.048 nan 8.230 nan 0.000 0.433 389 K N -0.573 119.801 120.400 -0.044 0.000 2.144 389 K HA -0.266 4.054 4.320 0.000 0.000 0.209 389 K C 2.091 178.662 176.600 -0.049 0.000 1.047 389 K CA 1.768 58.031 56.287 -0.040 0.000 0.927 389 K CB -0.293 32.179 32.500 -0.047 0.000 0.716 389 K HN 0.465 nan 8.250 nan 0.000 0.454 390 E N 1.471 121.624 120.200 -0.079 0.000 2.015 390 E HA -0.166 4.185 4.350 0.000 0.000 0.191 390 E C 1.835 178.328 176.600 -0.179 0.000 0.991 390 E CA 1.321 57.664 56.400 -0.096 0.000 0.802 390 E CB 0.143 29.783 29.700 -0.099 0.000 0.759 390 E HN 0.221 nan 8.360 nan 0.000 0.447 391 K N 0.645 120.866 120.400 -0.299 0.000 2.063 391 K HA -0.198 4.122 4.320 0.000 0.000 0.208 391 K C 2.233 178.472 176.600 -0.601 0.000 1.048 391 K CA 1.389 57.255 56.287 -0.703 0.000 0.928 391 K CB -0.187 31.927 32.500 -0.643 0.000 0.713 391 K HN -0.102 nan 8.250 nan 0.000 0.442 392 K N 1.152 121.421 120.400 -0.217 0.000 2.001 392 K HA -0.254 4.067 4.320 0.000 0.000 0.214 392 K C 2.006 178.599 176.600 -0.012 0.000 1.050 392 K CA 2.047 58.306 56.287 -0.048 0.000 0.934 392 K CB -0.689 31.812 32.500 0.001 0.000 0.718 392 K HN 0.216 nan 8.250 nan 0.000 0.443 393 H N -0.125 118.884 119.070 -0.102 0.000 2.267 393 H HA -0.026 4.530 4.556 0.000 0.000 0.297 393 H C 2.230 177.518 175.328 -0.066 0.000 1.080 393 H CA 2.554 58.562 56.048 -0.067 0.000 1.278 393 H CB -0.143 29.577 29.762 -0.070 0.000 1.365 393 H HN 0.270 nan 8.280 nan 0.000 0.489 394 R N -0.483 119.969 120.500 -0.081 0.000 2.115 394 R HA -0.186 4.155 4.340 0.000 0.000 0.239 394 R C 2.392 178.692 176.300 0.001 0.000 1.133 394 R CA 2.321 58.355 56.100 -0.110 0.000 0.935 394 R CB -0.597 29.587 30.300 -0.194 0.000 0.853 394 R HN 0.412 nan 8.270 nan 0.000 0.433 395 F N 0.172 120.096 119.950 -0.043 0.000 2.134 395 F HA -0.203 4.324 4.527 0.000 0.000 0.299 395 F C 2.635 178.391 175.800 -0.074 0.000 1.097 395 F CA 1.002 58.973 58.000 -0.048 0.000 1.264 395 F CB -0.247 38.734 39.000 -0.031 0.000 1.001 395 F HN 0.319 nan 8.300 nan 0.000 0.479 396 E N 0.746 121.001 120.200 0.092 0.000 2.058 396 E HA -0.236 4.114 4.350 0.000 0.000 0.194 396 E C 1.691 178.252 176.600 -0.066 0.000 0.997 396 E CA 1.659 58.055 56.400 -0.006 0.000 0.801 396 E CB -0.020 29.653 29.700 -0.045 0.000 0.746 396 E HN 0.301 nan 8.360 nan 0.000 0.450 397 D N 0.138 120.450 120.400 -0.147 0.000 2.084 397 D HA -0.161 4.479 4.640 0.000 0.000 0.194 397 D C 1.899 178.163 176.300 -0.059 0.000 0.990 397 D CA 1.348 55.260 54.000 -0.147 0.000 0.826 397 D CB -0.462 40.203 40.800 -0.225 0.000 0.971 397 D HN 0.282 nan 8.370 nan 0.000 0.453 398 A N 1.027 123.839 122.820 -0.013 0.000 1.958 398 A HA -0.211 4.109 4.320 0.000 0.000 0.221 398 A C 2.163 179.743 177.584 -0.005 0.000 1.178 398 A CA 1.389 53.434 52.037 0.014 0.000 0.642 398 A CB -0.764 18.280 19.000 0.073 0.000 0.816 398 A HN 0.253 nan 8.150 nan 0.000 0.453 399 L N 0.667 121.886 121.223 -0.007 0.000 1.961 399 L HA -0.173 4.167 4.340 0.000 0.000 0.210 399 L C 1.984 178.837 176.870 -0.030 0.000 1.072 399 L CA 2.480 57.306 54.840 -0.024 0.000 0.749 399 L CB -0.986 41.058 42.059 -0.026 0.000 0.889 399 L HN 0.411 nan 8.230 nan 0.000 0.432 400 N N 0.352 119.030 118.700 -0.036 0.000 2.137 400 N HA -0.238 4.502 4.740 0.000 0.000 0.190 400 N C 1.767 177.259 175.510 -0.030 0.000 1.017 400 N CA 1.694 54.722 53.050 -0.036 0.000 0.859 400 N CB -0.533 37.927 38.487 -0.045 0.000 1.002 400 N HN 0.573 nan 8.380 nan 0.000 0.428 401 A N 1.262 124.065 122.820 -0.030 0.000 1.841 401 A HA -0.167 4.153 4.320 0.000 0.000 0.216 401 A C 2.467 180.040 177.584 -0.019 0.000 1.199 401 A CA 2.495 54.519 52.037 -0.023 0.000 0.621 401 A CB -1.360 17.627 19.000 -0.021 0.000 0.835 401 A HN 0.348 nan 8.150 nan 0.000 0.445 402 T N 0.160 114.703 114.554 -0.018 0.000 2.699 402 T HA -0.211 4.139 4.350 0.000 0.000 0.268 402 T C 1.990 176.680 174.700 -0.017 0.000 1.036 402 T CA 1.667 63.757 62.100 -0.017 0.000 1.147 402 T CB -0.363 68.493 68.868 -0.020 0.000 0.862 402 T HN 0.491 nan 8.240 nan 0.000 0.446 403 R N 1.143 121.631 120.500 -0.020 0.000 2.073 403 R HA 0.018 4.358 4.340 0.000 0.000 0.234 403 R C 2.898 179.189 176.300 -0.015 0.000 1.134 403 R CA 1.410 57.499 56.100 -0.019 0.000 0.952 403 R CB -0.655 29.631 30.300 -0.024 0.000 0.850 403 R HN 0.433 nan 8.270 nan 0.000 0.433 404 A N 1.540 124.351 122.820 -0.015 0.000 1.898 404 A HA -0.055 4.265 4.320 0.000 0.000 0.216 404 A C 2.451 180.029 177.584 -0.009 0.000 1.181 404 A CA 1.512 53.542 52.037 -0.012 0.000 0.620 404 A CB -0.597 18.395 19.000 -0.013 0.000 0.819 404 A HN 0.378 nan 8.150 nan 0.000 0.442 405 A N -0.482 122.332 122.820 -0.010 0.000 1.948 405 A HA -0.093 4.227 4.320 0.000 0.000 0.220 405 A C 2.182 179.762 177.584 -0.006 0.000 1.177 405 A CA 2.043 54.075 52.037 -0.008 0.000 0.636 405 A CB -0.883 18.111 19.000 -0.009 0.000 0.815 405 A HN 0.446 nan 8.150 nan 0.000 0.449 406 V N -0.189 119.721 119.914 -0.006 0.000 2.548 406 V HA -0.205 3.915 4.120 0.000 0.000 0.249 406 V C 2.306 178.399 176.094 -0.002 0.000 1.055 406 V CA 1.958 64.255 62.300 -0.004 0.000 1.065 406 V CB -0.756 31.064 31.823 -0.005 0.000 0.681 406 V HN 0.641 nan 8.190 nan 0.000 0.462 407 E N 0.307 120.505 120.200 -0.003 0.000 2.051 407 E HA -0.195 4.155 4.350 0.000 0.000 0.192 407 E C 1.425 178.025 176.600 0.001 0.000 0.991 407 E CA 1.440 57.840 56.400 -0.000 0.000 0.799 407 E CB -0.008 29.691 29.700 -0.001 0.000 0.748 407 E HN 0.648 nan 8.360 nan 0.000 0.449 408 E N -0.666 119.535 120.200 0.001 0.000 2.810 408 E HA 0.231 4.581 4.350 0.000 0.000 0.214 408 E C 0.029 176.630 176.600 0.002 0.000 0.980 408 E CA 0.047 56.449 56.400 0.002 0.000 1.159 408 E CB 1.510 31.212 29.700 0.002 0.000 1.047 408 E HN 0.248 nan 8.360 nan 0.000 0.484 409 G N 2.056 110.856 108.800 0.001 0.000 2.782 409 G HA2 -0.259 3.701 3.960 0.000 0.000 0.228 409 G HA3 -0.259 3.701 3.960 0.000 0.000 0.228 409 G C -0.201 174.698 174.900 -0.001 0.000 1.372 409 G CA -0.190 44.910 45.100 0.001 0.000 0.862 409 G HN 0.270 nan 8.290 nan 0.000 0.547 410 I N -2.342 118.227 120.570 -0.000 0.000 2.740 410 I HA 0.904 5.075 4.170 0.000 0.000 0.303 410 I C 0.397 176.514 176.117 0.001 0.000 1.044 410 I CA -1.329 59.970 61.300 -0.002 0.000 1.064 410 I CB 2.105 40.103 38.000 -0.004 0.000 1.249 410 I HN 1.207 nan 8.210 nan 0.000 0.433 411 V N 0.327 120.240 119.914 -0.000 0.000 3.102 411 V HA 0.704 4.824 4.120 0.000 0.000 0.312 411 V C -2.845 173.249 176.094 -0.001 0.000 1.135 411 V CA -2.667 59.634 62.300 0.002 0.000 1.022 411 V CB 1.268 33.093 31.823 0.004 0.000 1.056 411 V HN 0.626 nan 8.190 nan 0.000 0.436 412 P HA 0.264 nan 4.420 nan 0.000 0.265 412 P C 0.360 177.652 177.300 -0.014 0.000 1.193 412 P CA 0.938 64.035 63.100 -0.005 0.000 0.765 412 P CB 0.481 32.184 31.700 0.006 0.000 0.823 413 G N 1.729 110.512 108.800 -0.028 0.000 2.509 413 G HA2 0.434 4.394 3.960 0.000 0.000 0.269 413 G HA3 0.434 4.394 3.960 0.000 0.000 0.269 413 G C 0.610 175.483 174.900 -0.045 0.000 1.416 413 G CA -0.387 44.692 45.100 -0.034 0.000 1.052 413 G HN 0.777 nan 8.290 nan 0.000 0.542 414 G N -1.947 106.822 108.800 -0.052 0.000 2.283 414 G HA2 0.206 4.166 3.960 0.000 0.000 0.280 414 G HA3 0.206 4.166 3.960 0.000 0.000 0.280 414 G C 1.555 176.435 174.900 -0.033 0.000 1.029 414 G CA 1.211 46.276 45.100 -0.059 0.000 0.840 414 G HN 2.456 nan 8.290 nan 0.000 0.505 415 G N -2.559 106.229 108.800 -0.020 0.000 2.257 415 G HA2 -0.302 3.658 3.960 0.000 0.000 0.267 415 G HA3 -0.302 3.658 3.960 0.000 0.000 0.267 415 G C 1.585 176.486 174.900 0.002 0.000 0.984 415 G CA 1.376 46.472 45.100 -0.006 0.000 0.626 415 G HN 1.515 nan 8.290 nan 0.000 0.540 416 V N 0.806 120.719 119.914 -0.003 0.000 2.370 416 V HA -0.267 3.853 4.120 0.000 0.000 0.252 416 V C 2.956 179.064 176.094 0.022 0.000 1.068 416 V CA 3.170 65.478 62.300 0.012 0.000 1.061 416 V CB -1.037 30.787 31.823 0.002 0.000 0.656 416 V HN 0.582 nan 8.190 nan 0.000 0.455 417 T N 0.054 114.616 114.554 0.013 0.000 2.708 417 T HA -0.109 4.241 4.350 0.000 0.000 0.266 417 T C 1.873 176.584 174.700 0.018 0.000 1.037 417 T CA 1.446 63.556 62.100 0.017 0.000 1.146 417 T CB -0.295 68.579 68.868 0.010 0.000 0.865 417 T HN 0.322 nan 8.240 nan 0.000 0.435 418 L N 0.452 121.683 121.223 0.014 0.000 2.127 418 L HA -0.063 4.277 4.340 0.000 0.000 0.211 418 L C 2.383 179.264 176.870 0.020 0.000 1.089 418 L CA 0.947 55.796 54.840 0.014 0.000 0.757 418 L CB -0.535 41.530 42.059 0.011 0.000 0.899 418 L HN 0.286 nan 8.230 nan 0.000 0.434 419 L N -0.911 120.327 121.223 0.025 0.000 2.027 419 L HA -0.157 4.183 4.340 0.000 0.000 0.206 419 L C 2.656 179.547 176.870 0.036 0.000 1.074 419 L CA 0.850 55.710 54.840 0.033 0.000 0.745 419 L CB -0.547 41.539 42.059 0.044 0.000 0.898 419 L HN 0.220 nan 8.230 nan 0.000 0.433 420 R N 0.404 120.927 120.500 0.039 0.000 2.303 420 R HA -0.081 4.259 4.340 0.000 0.000 0.225 420 R C 1.999 178.317 176.300 0.029 0.000 1.114 420 R CA 1.087 57.210 56.100 0.039 0.000 1.007 420 R CB -0.898 29.427 30.300 0.041 0.000 0.861 420 R HN 0.362 nan 8.270 nan 0.000 0.471 421 A N 0.792 123.626 122.820 0.024 0.000 2.016 421 A HA 0.017 4.337 4.320 0.000 0.000 0.217 421 A C 2.182 179.777 177.584 0.018 0.000 1.162 421 A CA 0.330 52.378 52.037 0.019 0.000 0.662 421 A CB -0.247 18.763 19.000 0.016 0.000 0.812 421 A HN 0.154 nan 8.150 nan 0.000 0.450 422 I N 0.771 121.354 120.570 0.021 0.000 2.118 422 I HA -0.344 3.826 4.170 0.000 0.000 0.241 422 I C 2.743 178.871 176.117 0.018 0.000 1.070 422 I CA 1.763 63.074 61.300 0.019 0.000 1.327 422 I CB -0.577 37.436 38.000 0.022 0.000 1.034 422 I HN 0.354 nan 8.210 nan 0.000 0.405 423 S N 1.397 117.109 115.700 0.020 0.000 2.372 423 S HA -0.300 4.170 4.470 0.000 0.000 0.227 423 S C 2.261 176.869 174.600 0.014 0.000 1.044 423 S CA 1.464 59.674 58.200 0.017 0.000 1.050 423 S CB -0.851 62.360 63.200 0.019 0.000 0.901 423 S HN 0.574 nan 8.310 nan 0.000 0.447 424 A N 1.490 124.318 122.820 0.014 0.000 1.902 424 A HA -0.030 4.290 4.320 0.000 0.000 0.217 424 A C 2.426 180.016 177.584 0.011 0.000 1.181 424 A CA 1.793 53.837 52.037 0.012 0.000 0.623 424 A CB -1.038 17.970 19.000 0.012 0.000 0.818 424 A HN 0.414 nan 8.150 nan 0.000 0.443 425 V N 0.164 120.085 119.914 0.011 0.000 2.427 425 V HA -0.201 3.919 4.120 0.000 0.000 0.248 425 V C 2.417 178.517 176.094 0.009 0.000 1.051 425 V CA 1.863 64.169 62.300 0.010 0.000 1.048 425 V CB -0.862 30.968 31.823 0.011 0.000 0.666 425 V HN 0.503 nan 8.190 nan 0.000 0.456 426 E N 0.243 120.450 120.200 0.010 0.000 2.038 426 E HA -0.223 4.127 4.350 0.000 0.000 0.195 426 E C 2.311 178.916 176.600 0.008 0.000 1.000 426 E CA 1.316 57.721 56.400 0.009 0.000 0.803 426 E CB -0.301 29.405 29.700 0.010 0.000 0.750 426 E HN 0.597 nan 8.360 nan 0.000 0.448 427 E N 0.763 120.968 120.200 0.008 0.000 2.130 427 E HA -0.196 4.154 4.350 0.000 0.000 0.196 427 E C 2.248 178.852 176.600 0.006 0.000 0.998 427 E CA 0.592 56.996 56.400 0.007 0.000 0.806 427 E CB -0.373 29.331 29.700 0.007 0.000 0.738 427 E HN 0.155 nan 8.360 nan 0.000 0.459 428 L N 0.981 122.208 121.223 0.007 0.000 2.005 428 L HA -0.120 4.220 4.340 0.000 0.000 0.207 428 L C 2.262 179.136 176.870 0.006 0.000 1.072 428 L CA 1.414 56.258 54.840 0.006 0.000 0.744 428 L CB -0.566 41.496 42.059 0.007 0.000 0.895 428 L HN 0.029 nan 8.230 nan 0.000 0.433 429 I N -0.140 120.433 120.570 0.006 0.000 2.151 429 I HA -0.384 3.786 4.170 0.000 0.000 0.243 429 I C 2.364 178.484 176.117 0.005 0.000 1.080 429 I CA 1.758 63.062 61.300 0.006 0.000 1.339 429 I CB -0.560 37.444 38.000 0.006 0.000 1.039 429 I HN 0.293 nan 8.210 nan 0.000 0.409 430 K N 0.872 121.275 120.400 0.005 0.000 2.286 430 K HA -0.182 4.138 4.320 0.000 0.000 0.203 430 K C 1.535 178.137 176.600 0.004 0.000 1.045 430 K CA 1.192 57.482 56.287 0.005 0.000 0.935 430 K CB -0.123 32.379 32.500 0.005 0.000 0.737 430 K HN 0.421 nan 8.250 nan 0.000 0.460 431 K N 0.002 120.404 120.400 0.004 0.000 2.358 431 K HA 0.199 4.519 4.320 0.000 0.000 0.197 431 K C 0.152 176.754 176.600 0.004 0.000 1.025 431 K CA -0.039 56.251 56.287 0.004 0.000 1.104 431 K CB 0.517 33.020 32.500 0.004 0.000 0.855 431 K HN -0.010 nan 8.250 nan 0.000 0.531 432 L N 0.662 121.888 121.223 0.004 0.000 2.313 432 L HA 0.447 4.787 4.340 0.000 0.000 0.268 432 L C -0.390 176.483 176.870 0.004 0.000 1.010 432 L CA -0.758 54.084 54.840 0.004 0.000 0.814 432 L CB 1.818 43.879 42.059 0.004 0.000 1.304 432 L HN 0.038 nan 8.230 nan 0.000 0.441 433 E N -0.100 120.102 120.200 0.004 0.000 2.430 433 E HA 0.563 4.913 4.350 0.000 0.000 0.279 433 E C -0.412 176.190 176.600 0.004 0.000 1.003 433 E CA 0.023 56.425 56.400 0.004 0.000 0.801 433 E CB 2.228 31.930 29.700 0.003 0.000 1.313 433 E HN 0.749 nan 8.360 nan 0.000 0.459 434 G N 2.300 111.102 108.800 0.004 0.000 2.642 434 G HA2 -0.273 3.687 3.960 0.000 0.000 0.231 434 G HA3 -0.273 3.687 3.960 0.000 0.000 0.231 434 G C 0.310 175.212 174.900 0.004 0.000 1.338 434 G CA 0.180 45.283 45.100 0.004 0.000 0.883 434 G HN 0.680 nan 8.290 nan 0.000 0.570 435 D N 0.091 120.493 120.400 0.004 0.000 2.218 435 D HA -0.058 4.582 4.640 0.000 0.000 0.204 435 D C 2.058 178.361 176.300 0.005 0.000 0.976 435 D CA 1.491 55.494 54.000 0.005 0.000 0.853 435 D CB -0.104 40.699 40.800 0.005 0.000 0.939 435 D HN 0.636 nan 8.370 nan 0.000 0.481 436 E N 0.578 120.781 120.200 0.005 0.000 2.077 436 E HA -0.161 4.189 4.350 0.000 0.000 0.193 436 E C 2.024 178.627 176.600 0.005 0.000 0.989 436 E CA 1.101 57.504 56.400 0.005 0.000 0.800 436 E CB 0.046 29.749 29.700 0.004 0.000 0.746 436 E HN 0.177 nan 8.360 nan 0.000 0.452 437 A N 0.038 122.861 122.820 0.005 0.000 1.933 437 A HA -0.167 4.153 4.320 0.000 0.000 0.218 437 A C 2.348 179.935 177.584 0.005 0.000 1.175 437 A CA 1.913 53.953 52.037 0.005 0.000 0.628 437 A CB -0.890 18.113 19.000 0.005 0.000 0.814 437 A HN 0.317 nan 8.150 nan 0.000 0.444 438 T N -0.068 114.490 114.554 0.005 0.000 2.684 438 T HA -0.097 4.253 4.350 0.000 0.000 0.267 438 T C 2.001 176.704 174.700 0.006 0.000 1.036 438 T CA 1.622 63.725 62.100 0.006 0.000 1.148 438 T CB -0.772 68.099 68.868 0.006 0.000 0.863 438 T HN 0.599 nan 8.240 nan 0.000 0.436 439 G N 1.269 110.073 108.800 0.006 0.000 2.476 439 G HA2 -0.132 3.828 3.960 0.000 0.000 0.218 439 G HA3 -0.132 3.828 3.960 0.000 0.000 0.218 439 G C 1.865 176.769 174.900 0.006 0.000 1.164 439 G CA 1.081 46.184 45.100 0.006 0.000 0.768 439 G HN 0.601 nan 8.290 nan 0.000 0.560 440 A N 0.845 123.669 122.820 0.006 0.000 1.917 440 A HA -0.097 4.223 4.320 0.000 0.000 0.219 440 A C 2.319 179.907 177.584 0.007 0.000 1.182 440 A CA 2.147 54.188 52.037 0.007 0.000 0.633 440 A CB -0.410 18.594 19.000 0.006 0.000 0.819 440 A HN 0.422 nan 8.150 nan 0.000 0.448 441 K N -0.517 119.887 120.400 0.007 0.000 2.097 441 K HA -0.049 4.271 4.320 0.000 0.000 0.206 441 K C 1.810 178.415 176.600 0.008 0.000 1.049 441 K CA 1.431 57.722 56.287 0.007 0.000 0.933 441 K CB -0.373 32.131 32.500 0.007 0.000 0.717 441 K HN 0.560 nan 8.250 nan 0.000 0.442 442 I N 0.686 121.260 120.570 0.007 0.000 2.163 442 I HA -0.287 3.883 4.170 0.000 0.000 0.243 442 I C 2.261 178.382 176.117 0.008 0.000 1.085 442 I CA 1.151 62.455 61.300 0.007 0.000 1.347 442 I CB -0.362 37.642 38.000 0.007 0.000 1.044 442 I HN -0.055 nan 8.210 nan 0.000 0.408 443 V N 0.930 120.849 119.914 0.008 0.000 2.343 443 V HA -0.300 3.820 4.120 0.000 0.000 0.247 443 V C 2.667 178.767 176.094 0.009 0.000 1.051 443 V CA 2.030 64.334 62.300 0.008 0.000 1.036 443 V CB -0.795 31.033 31.823 0.008 0.000 0.654 443 V HN 0.436 nan 8.190 nan 0.000 0.451 444 R N 0.144 120.650 120.500 0.009 0.000 2.117 444 R HA -0.259 4.081 4.340 0.000 0.000 0.243 444 R C 2.427 178.734 176.300 0.011 0.000 1.143 444 R CA 2.114 58.221 56.100 0.011 0.000 0.968 444 R CB -0.230 30.077 30.300 0.011 0.000 0.863 444 R HN 0.377 nan 8.270 nan 0.000 0.444 445 R N 0.663 121.169 120.500 0.010 0.000 2.062 445 R HA 0.040 4.380 4.340 0.000 0.000 0.229 445 R C 1.981 178.287 176.300 0.010 0.000 1.128 445 R CA 1.893 57.999 56.100 0.010 0.000 0.960 445 R CB -0.912 29.394 30.300 0.009 0.000 0.855 445 R HN 0.296 nan 8.270 nan 0.000 0.432 446 A N 1.095 123.920 122.820 0.009 0.000 1.892 446 A HA -0.134 4.187 4.320 0.000 0.000 0.218 446 A C 2.285 179.875 177.584 0.010 0.000 1.188 446 A CA 1.758 53.801 52.037 0.009 0.000 0.631 446 A CB -0.866 18.138 19.000 0.008 0.000 0.822 446 A HN 0.387 nan 8.150 nan 0.000 0.447 447 L N -0.662 120.568 121.223 0.011 0.000 2.270 447 L HA -0.274 4.066 4.340 0.000 0.000 0.217 447 L C 2.411 179.290 176.870 0.014 0.000 1.107 447 L CA 1.708 56.555 54.840 0.012 0.000 0.772 447 L CB -0.604 41.463 42.059 0.014 0.000 0.902 447 L HN 0.526 nan 8.230 nan 0.000 0.439 448 E N -0.764 119.445 120.200 0.014 0.000 2.158 448 E HA -0.140 4.210 4.350 0.000 0.000 0.191 448 E C 2.019 178.626 176.600 0.012 0.000 0.982 448 E CA 0.224 56.633 56.400 0.015 0.000 0.823 448 E CB 0.113 29.822 29.700 0.015 0.000 0.766 448 E HN 0.390 nan 8.360 nan 0.000 0.468 449 E N 0.520 120.727 120.200 0.011 0.000 2.048 449 E HA -0.171 4.179 4.350 0.000 0.000 0.202 449 E C -0.650 175.955 176.600 0.009 0.000 1.021 449 E CA 1.401 57.807 56.400 0.010 0.000 0.825 449 E CB -1.679 28.026 29.700 0.009 0.000 0.756 449 E HN 0.241 nan 8.360 nan 0.000 0.454 450 P HA -0.202 nan 4.420 nan 0.000 0.213 450 P C 1.406 178.709 177.300 0.005 0.000 1.176 450 P CA 2.521 65.624 63.100 0.005 0.000 0.919 450 P CB -0.245 31.457 31.700 0.004 0.000 0.791 451 A N -0.528 122.296 122.820 0.007 0.000 1.873 451 A HA -0.292 4.029 4.320 0.000 0.000 0.218 451 A C 2.409 179.998 177.584 0.008 0.000 1.193 451 A CA 2.176 54.217 52.037 0.008 0.000 0.629 451 A CB -1.377 17.631 19.000 0.013 0.000 0.826 451 A HN 0.010 nan 8.150 nan 0.000 0.447 452 R N -1.188 119.317 120.500 0.007 0.000 2.082 452 R HA -0.241 4.099 4.340 0.000 0.000 0.234 452 R C 2.524 178.832 176.300 0.014 0.000 1.136 452 R CA 2.089 58.193 56.100 0.006 0.000 0.935 452 R CB -0.344 29.962 30.300 0.009 0.000 0.842 452 R HN 0.581 nan 8.270 nan 0.000 0.430 453 Q N 0.674 120.483 119.800 0.014 0.000 2.152 453 Q HA -0.148 4.192 4.340 0.000 0.000 0.206 453 Q C 1.842 177.855 176.000 0.022 0.000 0.985 453 Q CA 1.792 57.605 55.803 0.018 0.000 0.863 453 Q CB -0.208 28.537 28.738 0.013 0.000 0.904 453 Q HN 0.479 nan 8.270 nan 0.000 0.422 454 I N -0.291 120.288 120.570 0.016 0.000 2.113 454 I HA -0.291 3.880 4.170 0.000 0.000 0.238 454 I C 2.235 178.372 176.117 0.034 0.000 1.070 454 I CA 1.045 62.353 61.300 0.013 0.000 1.332 454 I CB -0.647 37.351 38.000 -0.003 0.000 1.044 454 I HN 0.305 nan 8.210 nan 0.000 0.402 455 A N 0.293 123.140 122.820 0.044 0.000 1.917 455 A HA -0.303 4.017 4.320 0.000 0.000 0.219 455 A C 2.182 179.842 177.584 0.126 0.000 1.182 455 A CA 2.263 54.339 52.037 0.064 0.000 0.633 455 A CB -0.695 18.283 19.000 -0.037 0.000 0.819 455 A HN 0.431 nan 8.150 nan 0.000 0.448 456 E N 0.375 120.626 120.200 0.085 0.000 2.038 456 E HA -0.189 4.161 4.350 0.000 0.000 0.195 456 E C 1.898 178.559 176.600 0.101 0.000 1.000 456 E CA 1.680 58.135 56.400 0.091 0.000 0.803 456 E CB -0.196 29.535 29.700 0.051 0.000 0.750 456 E HN 0.600 nan 8.360 nan 0.000 0.448 457 N N -0.004 118.740 118.700 0.074 0.000 2.205 457 N HA -0.168 4.572 4.740 0.000 0.000 0.186 457 N C 1.382 176.950 175.510 0.096 0.000 1.015 457 N CA 1.295 54.384 53.050 0.064 0.000 0.862 457 N CB -0.354 38.157 38.487 0.039 0.000 0.986 457 N HN 0.239 nan 8.380 nan 0.000 0.429 458 A N 0.084 122.988 122.820 0.140 0.000 2.209 458 A HA 0.312 4.632 4.320 0.000 0.000 0.212 458 A C 1.305 179.126 177.584 0.394 0.000 1.158 458 A CA 0.892 53.059 52.037 0.217 0.000 0.742 458 A CB -0.400 18.678 19.000 0.130 0.000 0.790 458 A HN 0.340 nan 8.150 nan 0.000 0.472 459 G N -2.118 106.863 108.800 0.302 0.000 2.255 459 G HA2 -0.199 3.761 3.960 0.000 0.000 0.239 459 G HA3 -0.199 3.761 3.960 0.000 0.000 0.239 459 G C -0.386 174.567 174.900 0.089 0.000 1.083 459 G CA 0.225 45.423 45.100 0.163 0.000 0.826 459 G HN 0.424 nan 8.290 nan 0.000 0.493 460 Y N -0.911 119.408 120.300 0.031 0.000 2.634 460 Y HA 0.566 5.116 4.550 0.000 0.000 0.340 460 Y C 0.565 176.447 175.900 -0.030 0.000 1.058 460 Y CA -1.596 56.505 58.100 0.001 0.000 1.081 460 Y CB 1.079 39.528 38.460 -0.019 0.000 1.295 460 Y HN 0.151 nan 8.280 nan 0.000 0.487 461 E N 0.980 121.243 120.200 0.105 0.000 2.029 461 E HA 0.151 4.501 4.350 0.000 0.000 0.276 461 E C 0.769 177.380 176.600 0.018 0.000 1.163 461 E CA 0.108 56.533 56.400 0.042 0.000 0.909 461 E CB 0.703 30.414 29.700 0.019 0.000 1.046 461 E HN 0.951 nan 8.360 nan 0.000 0.406 462 G N 3.101 111.914 108.800 0.022 0.000 2.721 462 G HA2 -0.430 3.530 3.960 0.000 0.000 0.218 462 G HA3 -0.430 3.530 3.960 0.000 0.000 0.218 462 G C 1.638 176.532 174.900 -0.010 0.000 1.265 462 G CA 1.332 46.432 45.100 0.000 0.000 0.796 462 G HN 0.591 nan 8.290 nan 0.000 0.620 463 S N 0.186 115.887 115.700 0.003 0.000 2.400 463 S HA -0.203 4.267 4.470 0.000 0.000 0.234 463 S C 2.268 176.871 174.600 0.005 0.000 1.049 463 S CA 1.937 60.141 58.200 0.006 0.000 1.039 463 S CB -0.780 62.424 63.200 0.008 0.000 0.856 463 S HN 0.192 nan 8.310 nan 0.000 0.465 464 V N 2.101 122.016 119.914 0.001 0.000 2.270 464 V HA -0.112 4.009 4.120 0.000 0.000 0.245 464 V C 2.487 178.588 176.094 0.013 0.000 1.043 464 V CA 1.938 64.242 62.300 0.006 0.000 1.014 464 V CB -0.726 31.101 31.823 0.007 0.000 0.645 464 V HN 0.478 nan 8.190 nan 0.000 0.447 465 I N -0.151 120.400 120.570 -0.032 0.000 2.226 465 I HA -0.206 3.964 4.170 0.000 0.000 0.245 465 I C 2.336 178.481 176.117 0.047 0.000 1.100 465 I CA 1.223 62.493 61.300 -0.049 0.000 1.374 465 I CB -0.356 37.379 38.000 -0.441 0.000 1.057 465 I HN 0.145 nan 8.210 nan 0.000 0.413 466 V N 0.273 120.194 119.914 0.012 0.000 2.469 466 V HA -0.307 3.813 4.120 0.000 0.000 0.251 466 V C 2.367 178.503 176.094 0.069 0.000 1.064 466 V CA 1.750 64.076 62.300 0.042 0.000 1.066 466 V CB -0.701 31.137 31.823 0.024 0.000 0.667 466 V HN 0.431 nan 8.190 nan 0.000 0.461 467 Q N 0.364 120.198 119.800 0.057 0.000 1.994 467 Q HA -0.150 4.190 4.340 0.000 0.000 0.198 467 Q C 2.298 178.340 176.000 0.070 0.000 0.976 467 Q CA 1.694 57.527 55.803 0.051 0.000 0.828 467 Q CB -0.426 28.328 28.738 0.027 0.000 0.894 467 Q HN 0.696 nan 8.270 nan 0.000 0.432 468 Q N -0.393 119.451 119.800 0.074 0.000 2.297 468 Q HA -0.147 4.194 4.340 0.000 0.000 0.208 468 Q C 1.985 178.096 176.000 0.186 0.000 0.981 468 Q CA 1.196 57.021 55.803 0.036 0.000 0.876 468 Q CB -0.106 28.558 28.738 -0.123 0.000 0.921 468 Q HN 0.441 nan 8.270 nan 0.000 0.446 469 I N 0.138 120.886 120.570 0.298 0.000 2.235 469 I HA -0.226 3.944 4.170 0.000 0.000 0.241 469 I C 1.937 178.208 176.117 0.257 0.000 1.085 469 I CA 0.840 62.362 61.300 0.370 0.000 1.378 469 I CB -0.081 38.075 38.000 0.259 0.000 1.076 469 I HN 0.163 nan 8.210 nan 0.000 0.415 470 L N 0.670 121.985 121.223 0.153 0.000 2.456 470 L HA -0.133 4.208 4.340 0.000 0.000 0.224 470 L C 2.647 179.561 176.870 0.075 0.000 1.148 470 L CA 0.651 55.551 54.840 0.101 0.000 0.825 470 L CB -0.582 41.518 42.059 0.067 0.000 0.937 470 L HN 0.233 nan 8.230 nan 0.000 0.450 471 A N -0.312 122.552 122.820 0.073 0.000 1.873 471 A HA -0.154 4.167 4.320 0.000 0.000 0.215 471 A C 1.275 178.853 177.584 -0.010 0.000 1.186 471 A CA 0.556 52.605 52.037 0.019 0.000 0.616 471 A CB -0.256 18.741 19.000 -0.005 0.000 0.823 471 A HN 0.292 nan 8.150 nan 0.000 0.442 472 E N 0.338 120.533 120.200 -0.009 0.000 2.328 472 E HA 0.242 4.592 4.350 0.000 0.000 0.265 472 E C 0.414 177.004 176.600 -0.018 0.000 1.057 472 E CA 0.606 56.938 56.400 -0.112 0.000 0.916 472 E CB 0.469 29.971 29.700 -0.329 0.000 0.993 472 E HN 0.280 nan 8.360 nan 0.000 0.446 473 T N 4.035 118.568 114.554 -0.036 0.000 2.990 473 T HA 0.079 4.430 4.350 0.000 0.000 0.249 473 T C 1.218 175.913 174.700 -0.008 0.000 1.039 473 T CA -0.065 62.032 62.100 -0.005 0.000 1.036 473 T CB 0.156 69.020 68.868 -0.007 0.000 0.994 473 T HN 0.294 nan 8.240 nan 0.000 0.489 474 K N 1.816 122.195 120.400 -0.035 0.000 1.965 474 K HA -0.061 4.259 4.320 0.000 0.000 0.220 474 K C 0.962 177.563 176.600 0.001 0.000 1.046 474 K CA 1.182 57.453 56.287 -0.027 0.000 0.974 474 K CB -0.151 32.317 32.500 -0.053 0.000 0.738 474 K HN 0.110 nan 8.250 nan 0.000 0.444 475 N N 0.927 119.633 118.700 0.010 0.000 2.462 475 N HA 0.075 4.815 4.740 0.000 0.000 0.242 475 N C -2.085 173.489 175.510 0.108 0.000 1.010 475 N CA -2.026 51.059 53.050 0.058 0.000 0.939 475 N CB 1.362 39.894 38.487 0.076 0.000 1.127 475 N HN -0.056 nan 8.380 nan 0.000 0.509 476 P HA -0.128 nan 4.420 nan 0.000 0.225 476 P C 0.325 177.691 177.300 0.111 0.000 1.148 476 P CA 0.959 64.115 63.100 0.094 0.000 0.779 476 P CB 0.352 32.088 31.700 0.060 0.000 0.780 477 R N -1.871 118.695 120.500 0.111 0.000 2.313 477 R HA 0.025 4.365 4.340 0.000 0.000 0.199 477 R C 0.709 177.089 176.300 0.134 0.000 0.958 477 R CA -0.278 55.879 56.100 0.095 0.000 1.047 477 R CB -0.584 29.758 30.300 0.070 0.000 0.955 477 R HN 0.210 nan 8.270 nan 0.000 0.481 478 Y N 1.048 121.385 120.300 0.062 0.000 2.526 478 Y HA 0.261 4.811 4.550 0.000 0.000 0.330 478 Y C 0.565 176.541 175.900 0.127 0.000 1.156 478 Y CA 0.501 58.661 58.100 0.100 0.000 1.419 478 Y CB 0.615 39.137 38.460 0.104 0.000 1.250 478 Y HN 0.073 nan 8.280 nan 0.000 0.540 479 G N 4.681 113.228 108.800 -0.422 0.000 2.606 479 G HA2 0.345 4.305 3.960 0.000 0.000 0.300 479 G HA3 0.345 4.305 3.960 0.000 0.000 0.300 479 G C -2.298 172.366 174.900 -0.394 0.000 1.360 479 G CA -1.026 43.909 45.100 -0.275 0.000 0.783 479 G HN 0.608 nan 8.290 nan 0.000 0.484 480 F N 1.190 120.804 119.950 -0.562 0.000 2.427 480 F HA 0.578 5.105 4.527 0.000 0.000 0.346 480 F C -0.017 175.465 175.800 -0.528 0.000 1.120 480 F CA -1.043 56.438 58.000 -0.865 0.000 1.033 480 F CB 1.809 40.180 39.000 -1.048 0.000 1.126 480 F HN 0.368 nan 8.300 nan 0.000 0.462 481 N N 5.140 123.182 118.700 -1.097 0.000 2.602 481 N HA 0.241 4.981 4.740 0.000 0.000 0.238 481 N C 0.665 175.459 175.510 -1.193 0.000 1.084 481 N CA 0.277 52.824 53.050 -0.837 0.000 0.952 481 N CB 1.152 39.332 38.487 -0.512 0.000 1.244 481 N HN 0.744 nan 8.380 nan 0.000 0.512 482 A N 3.060 125.263 122.820 -1.029 0.000 2.139 482 A HA -0.125 4.195 4.320 0.000 0.000 0.221 482 A C 2.061 179.343 177.584 -0.502 0.000 1.159 482 A CA 1.798 53.346 52.037 -0.815 0.000 0.662 482 A CB -0.666 18.141 19.000 -0.323 0.000 0.796 482 A HN 0.709 nan 8.150 nan 0.000 0.463 483 A N -0.511 122.071 122.820 -0.397 0.000 1.854 483 A HA -0.027 4.293 4.320 0.000 0.000 0.214 483 A C 2.355 179.828 177.584 -0.186 0.000 1.192 483 A CA 2.209 54.112 52.037 -0.223 0.000 0.611 483 A CB -1.017 17.877 19.000 -0.177 0.000 0.832 483 A HN 0.819 nan 8.150 nan 0.000 0.442 484 T N -4.354 110.054 114.554 -0.244 0.000 3.060 484 T HA 0.402 4.752 4.350 0.000 0.000 0.249 484 T C 1.218 175.836 174.700 -0.136 0.000 1.079 484 T CA 1.061 63.071 62.100 -0.149 0.000 1.013 484 T CB -0.017 68.773 68.868 -0.130 0.000 0.975 484 T HN 1.788 nan 8.240 nan 0.000 0.518 485 G N 1.216 109.808 108.800 -0.347 0.000 2.272 485 G HA2 -0.180 3.780 3.960 0.000 0.000 0.280 485 G HA3 -0.180 3.780 3.960 0.000 0.000 0.280 485 G C -0.422 174.463 174.900 -0.026 0.000 1.067 485 G CA 0.130 45.107 45.100 -0.204 0.000 0.902 485 G HN 0.691 nan 8.290 nan 0.000 0.500 486 E N -1.500 118.508 120.200 -0.320 0.000 2.408 486 E HA 0.610 4.960 4.350 0.000 0.000 0.275 486 E C -0.891 175.621 176.600 -0.146 0.000 0.935 486 E CA -1.059 55.340 56.400 -0.003 0.000 0.775 486 E CB 1.348 31.064 29.700 0.026 0.000 1.277 486 E HN 0.045 nan 8.360 nan 0.000 0.455 487 F N 1.330 121.315 119.950 0.059 0.000 2.394 487 F HA 0.422 4.949 4.527 0.000 0.000 0.340 487 F C 0.560 176.302 175.800 -0.097 0.000 1.105 487 F CA -0.356 57.594 58.000 -0.083 0.000 1.124 487 F CB 1.214 40.178 39.000 -0.061 0.000 1.145 487 F HN 0.230 nan 8.300 nan 0.000 0.505 488 V N -1.211 118.653 119.914 -0.083 0.000 3.156 488 V HA 0.465 4.585 4.120 0.000 0.000 0.306 488 V C -1.378 174.717 176.094 0.002 0.000 1.468 488 V CA -1.112 61.198 62.300 0.016 0.000 1.047 488 V CB 1.712 33.517 31.823 -0.030 0.000 1.078 488 V HN 0.555 nan 8.190 nan 0.000 0.468 489 D N 1.400 121.834 120.400 0.056 0.000 2.393 489 D HA 0.230 4.870 4.640 0.000 0.000 0.232 489 D C 1.320 177.620 176.300 0.001 0.000 1.192 489 D CA -0.362 53.675 54.000 0.061 0.000 0.882 489 D CB 1.235 42.079 40.800 0.073 0.000 1.038 489 D HN 0.546 nan 8.370 nan 0.000 0.499 490 M N 2.803 122.388 119.600 -0.026 0.000 2.116 490 M HA -0.214 4.266 4.480 0.000 0.000 0.255 490 M C 1.877 178.159 176.300 -0.029 0.000 1.075 490 M CA 1.160 56.430 55.300 -0.050 0.000 1.087 490 M CB -0.816 31.756 32.600 -0.047 0.000 1.340 490 M HN 0.306 nan 8.290 nan 0.000 0.402 491 V N 0.171 120.081 119.914 -0.007 0.000 2.221 491 V HA -0.243 3.877 4.120 0.000 0.000 0.240 491 V C 2.115 178.207 176.094 -0.004 0.000 1.041 491 V CA 1.868 64.166 62.300 -0.003 0.000 0.991 491 V CB -0.813 31.015 31.823 0.009 0.000 0.634 491 V HN 0.462 nan 8.190 nan 0.000 0.450 492 E N 0.127 120.330 120.200 0.005 0.000 2.393 492 E HA -0.188 4.162 4.350 0.000 0.000 0.201 492 E C 1.794 178.390 176.600 -0.006 0.000 1.025 492 E CA 1.012 57.414 56.400 0.005 0.000 0.856 492 E CB -0.218 29.492 29.700 0.016 0.000 0.771 492 E HN 0.603 nan 8.360 nan 0.000 0.526 493 A N -0.017 122.792 122.820 -0.019 0.000 2.308 493 A HA 0.339 4.659 4.320 0.000 0.000 0.217 493 A C 1.518 179.079 177.584 -0.040 0.000 1.216 493 A CA 0.524 52.539 52.037 -0.036 0.000 0.864 493 A CB 0.116 19.080 19.000 -0.061 0.000 0.902 493 A HN 0.251 nan 8.150 nan 0.000 0.499 494 G N -0.165 108.618 108.800 -0.030 0.000 2.198 494 G HA2 -0.214 3.746 3.960 0.000 0.000 0.257 494 G HA3 -0.214 3.746 3.960 0.000 0.000 0.257 494 G C -0.016 174.862 174.900 -0.038 0.000 1.042 494 G CA 0.423 45.506 45.100 -0.028 0.000 0.791 494 G HN 0.584 nan 8.290 nan 0.000 0.502 495 I N 0.501 121.044 120.570 -0.045 0.000 2.621 495 I HA 0.383 4.553 4.170 0.000 0.000 0.276 495 I C 0.257 176.348 176.117 -0.042 0.000 1.118 495 I CA -0.787 60.480 61.300 -0.056 0.000 1.159 495 I CB 0.962 38.910 38.000 -0.086 0.000 1.357 495 I HN -0.048 nan 8.210 nan 0.000 0.513 496 V N 2.561 122.457 119.914 -0.030 0.000 3.113 496 V HA 0.604 4.725 4.120 0.000 0.000 0.316 496 V C -0.663 175.419 176.094 -0.020 0.000 1.125 496 V CA -0.714 61.573 62.300 -0.022 0.000 1.026 496 V CB 2.759 34.573 31.823 -0.015 0.000 1.080 496 V HN 0.375 nan 8.190 nan 0.000 0.444 497 D N 0.321 120.712 120.400 -0.015 0.000 2.857 497 D HA 0.388 5.029 4.640 0.000 0.000 0.227 497 D C -3.001 173.294 176.300 -0.009 0.000 1.192 497 D CA -1.338 52.654 54.000 -0.013 0.000 0.857 497 D CB 2.654 43.447 40.800 -0.013 0.000 1.645 497 D HN 0.218 nan 8.370 nan 0.000 0.482 498 P HA 0.086 nan 4.420 nan 0.000 0.265 498 P C 0.498 177.795 177.300 -0.005 0.000 1.222 498 P CA 0.032 63.127 63.100 -0.007 0.000 0.767 498 P CB 0.596 32.291 31.700 -0.009 0.000 0.801 499 A N 5.174 127.992 122.820 -0.002 0.000 2.042 499 A HA -0.274 4.046 4.320 0.000 0.000 0.222 499 A C 2.101 179.685 177.584 -0.000 0.000 1.167 499 A CA 1.699 53.736 52.037 -0.000 0.000 0.649 499 A CB -0.934 18.067 19.000 0.002 0.000 0.809 499 A HN 0.506 nan 8.150 nan 0.000 0.457 500 K N -0.282 120.117 120.400 -0.001 0.000 2.057 500 K HA -0.097 4.224 4.320 0.000 0.000 0.207 500 K C 1.796 178.395 176.600 -0.002 0.000 1.049 500 K CA 1.583 57.870 56.287 -0.001 0.000 0.931 500 K CB -0.274 32.224 32.500 -0.002 0.000 0.714 500 K HN 0.279 nan 8.250 nan 0.000 0.440 501 V N 0.973 120.884 119.914 -0.004 0.000 2.255 501 V HA -0.265 3.855 4.120 0.000 0.000 0.247 501 V C 2.246 178.339 176.094 -0.002 0.000 1.051 501 V CA 2.355 64.652 62.300 -0.004 0.000 1.018 501 V CB -0.825 30.994 31.823 -0.006 0.000 0.641 501 V HN 0.454 nan 8.190 nan 0.000 0.445 502 T N -0.071 114.482 114.554 -0.002 0.000 2.595 502 T HA -0.277 4.073 4.350 0.000 0.000 0.264 502 T C 2.038 176.739 174.700 0.002 0.000 1.058 502 T CA 2.076 64.176 62.100 0.000 0.000 1.166 502 T CB -0.386 68.483 68.868 0.001 0.000 0.863 502 T HN 0.421 nan 8.240 nan 0.000 0.415 503 R N 0.737 121.238 120.500 0.002 0.000 2.153 503 R HA -0.163 4.177 4.340 0.000 0.000 0.252 503 R C 2.426 178.728 176.300 0.003 0.000 1.158 503 R CA 1.993 58.095 56.100 0.003 0.000 0.975 503 R CB -0.371 29.931 30.300 0.004 0.000 0.871 503 R HN 0.290 nan 8.270 nan 0.000 0.450 504 S N 0.295 115.996 115.700 0.002 0.000 2.335 504 S HA -0.052 4.418 4.470 0.000 0.000 0.217 504 S C 2.059 176.660 174.600 0.002 0.000 1.032 504 S CA 0.944 59.145 58.200 0.002 0.000 0.985 504 S CB -0.357 62.844 63.200 0.001 0.000 0.896 504 S HN 0.582 nan 8.310 nan 0.000 0.445 505 A N 1.595 124.416 122.820 0.001 0.000 1.903 505 A HA -0.172 4.148 4.320 0.000 0.000 0.219 505 A C 2.147 179.732 177.584 0.003 0.000 1.191 505 A CA 1.808 53.846 52.037 0.002 0.000 0.638 505 A CB -0.917 18.084 19.000 0.001 0.000 0.823 505 A HN 0.394 nan 8.150 nan 0.000 0.451 506 L N -0.520 120.705 121.223 0.003 0.000 1.961 506 L HA -0.207 4.134 4.340 0.000 0.000 0.210 506 L C 2.586 179.459 176.870 0.004 0.000 1.072 506 L CA 2.596 57.438 54.840 0.004 0.000 0.749 506 L CB -0.981 41.081 42.059 0.005 0.000 0.889 506 L HN 0.526 nan 8.230 nan 0.000 0.432 507 Q N -0.510 119.292 119.800 0.004 0.000 2.133 507 Q HA -0.251 4.089 4.340 0.000 0.000 0.208 507 Q C 2.042 178.044 176.000 0.003 0.000 0.991 507 Q CA 1.996 57.800 55.803 0.003 0.000 0.867 507 Q CB -0.311 28.429 28.738 0.003 0.000 0.911 507 Q HN 0.584 nan 8.270 nan 0.000 0.417 508 N N 0.004 118.705 118.700 0.003 0.000 2.080 508 N HA -0.123 4.617 4.740 0.000 0.000 0.189 508 N C 1.716 177.227 175.510 0.003 0.000 1.036 508 N CA 1.320 54.371 53.050 0.002 0.000 0.846 508 N CB -0.385 38.103 38.487 0.002 0.000 1.015 508 N HN 0.247 nan 8.380 nan 0.000 0.423 509 A N 1.459 124.280 122.820 0.003 0.000 1.859 509 A HA -0.105 4.215 4.320 0.000 0.000 0.217 509 A C 2.387 179.973 177.584 0.003 0.000 1.198 509 A CA 2.446 54.486 52.037 0.003 0.000 0.629 509 A CB -1.133 17.869 19.000 0.004 0.000 0.830 509 A HN 0.342 nan 8.150 nan 0.000 0.446 510 A N -1.111 121.711 122.820 0.004 0.000 2.032 510 A HA -0.134 4.186 4.320 0.000 0.000 0.221 510 A C 2.429 180.015 177.584 0.003 0.000 1.165 510 A CA 2.297 54.337 52.037 0.004 0.000 0.645 510 A CB -0.866 18.137 19.000 0.004 0.000 0.807 510 A HN 0.557 nan 8.150 nan 0.000 0.453 511 S N -0.630 115.071 115.700 0.003 0.000 2.345 511 S HA -0.076 4.395 4.470 0.000 0.000 0.220 511 S C 1.903 176.504 174.600 0.002 0.000 1.031 511 S CA 1.188 59.389 58.200 0.002 0.000 0.996 511 S CB -0.413 62.788 63.200 0.001 0.000 0.882 511 S HN 0.516 nan 8.310 nan 0.000 0.445 512 I N 1.217 121.789 120.570 0.002 0.000 2.194 512 I HA -0.179 3.991 4.170 0.000 0.000 0.246 512 I C 2.541 178.660 176.117 0.003 0.000 1.093 512 I CA 1.283 62.585 61.300 0.002 0.000 1.355 512 I CB -0.964 37.038 38.000 0.002 0.000 1.046 512 I HN 0.462 nan 8.210 nan 0.000 0.413 513 G N 0.449 109.251 108.800 0.003 0.000 2.511 513 G HA2 -0.309 3.652 3.960 0.000 0.000 0.216 513 G HA3 -0.309 3.652 3.960 0.000 0.000 0.216 513 G C 1.841 176.743 174.900 0.004 0.000 1.218 513 G CA 0.971 46.074 45.100 0.004 0.000 0.788 513 G HN 0.508 nan 8.290 nan 0.000 0.560 514 A N 0.285 123.107 122.820 0.004 0.000 1.948 514 A HA -0.050 4.271 4.320 0.000 0.000 0.220 514 A C 2.403 179.989 177.584 0.003 0.000 1.177 514 A CA 1.959 53.998 52.037 0.004 0.000 0.636 514 A CB -0.498 18.504 19.000 0.003 0.000 0.815 514 A HN 0.520 nan 8.150 nan 0.000 0.449 515 L N -0.051 121.174 121.223 0.002 0.000 1.989 515 L HA -0.149 4.191 4.340 0.000 0.000 0.211 515 L C 2.302 179.173 176.870 0.001 0.000 1.071 515 L CA 2.016 56.857 54.840 0.001 0.000 0.749 515 L CB -0.414 41.645 42.059 -0.000 0.000 0.890 515 L HN 0.453 nan 8.230 nan 0.000 0.431 516 I N -0.878 119.693 120.570 0.002 0.000 2.226 516 I HA -0.336 3.834 4.170 0.000 0.000 0.245 516 I C 2.389 178.509 176.117 0.005 0.000 1.100 516 I CA 1.425 62.726 61.300 0.002 0.000 1.374 516 I CB -0.387 37.614 38.000 0.003 0.000 1.057 516 I HN 0.296 nan 8.210 nan 0.000 0.413 517 L N -0.013 121.214 121.223 0.007 0.000 2.127 517 L HA -0.191 4.149 4.340 0.000 0.000 0.211 517 L C 2.211 179.087 176.870 0.010 0.000 1.089 517 L CA 1.461 56.306 54.840 0.009 0.000 0.757 517 L CB -1.053 41.011 42.059 0.008 0.000 0.899 517 L HN 0.260 nan 8.230 nan 0.000 0.434 518 T N -1.536 113.023 114.554 0.008 0.000 3.148 518 T HA -0.001 4.349 4.350 0.000 0.000 0.253 518 T C 0.803 175.509 174.700 0.010 0.000 1.134 518 T CA 0.259 62.365 62.100 0.010 0.000 1.051 518 T CB -0.197 68.675 68.868 0.007 0.000 0.959 518 T HN 0.213 nan 8.240 nan 0.000 0.525 519 T N 2.899 117.458 114.554 0.008 0.000 2.794 519 T HA 0.167 4.517 4.350 0.000 0.000 0.296 519 T C 0.739 175.447 174.700 0.013 0.000 0.949 519 T CA -0.296 61.806 62.100 0.003 0.000 1.101 519 T CB 1.023 69.888 68.868 -0.006 0.000 0.905 519 T HN 0.062 nan 8.240 nan 0.000 0.516 520 E N 0.930 121.141 120.200 0.018 0.000 2.511 520 E HA 0.425 4.775 4.350 0.000 0.000 0.209 520 E C 0.292 176.920 176.600 0.047 0.000 0.986 520 E CA -0.004 56.430 56.400 0.055 0.000 0.974 520 E CB 0.971 30.719 29.700 0.079 0.000 1.030 520 E HN 0.748 nan 8.360 nan 0.000 0.490 521 A N 0.257 123.042 122.820 -0.060 0.000 2.583 521 A HA 0.566 4.886 4.320 0.000 0.000 0.292 521 A C -1.382 176.071 177.584 -0.220 0.000 1.045 521 A CA -0.388 51.497 52.037 -0.252 0.000 0.672 521 A CB 1.284 20.062 19.000 -0.369 0.000 1.283 521 A HN 0.126 nan 8.150 nan 0.000 0.419 522 V N -0.971 118.769 119.914 -0.290 0.000 2.808 522 V HA 0.831 4.951 4.120 0.000 0.000 0.308 522 V C -1.276 174.695 176.094 -0.206 0.000 1.099 522 V CA -0.661 61.529 62.300 -0.183 0.000 0.920 522 V CB 1.574 33.329 31.823 -0.113 0.000 1.014 522 V HN 1.225 nan 8.190 nan 0.000 0.425 523 V N 5.044 124.871 119.914 -0.145 0.000 2.293 523 V HA 0.857 4.977 4.120 0.000 0.000 0.275 523 V C 0.789 176.827 176.094 -0.094 0.000 1.021 523 V CA 0.347 62.573 62.300 -0.124 0.000 0.815 523 V CB 0.553 32.317 31.823 -0.097 0.000 1.025 523 V HN 1.379 nan 8.190 nan 0.000 0.448 524 A N 3.991 126.751 122.820 -0.099 0.000 2.269 524 A HA 0.804 5.124 4.320 0.000 0.000 0.327 524 A C 0.011 177.495 177.584 -0.167 0.000 1.112 524 A CA -0.676 51.295 52.037 -0.111 0.000 0.865 524 A CB 0.744 19.694 19.000 -0.083 0.000 1.227 524 A HN 0.622 nan 8.150 nan 0.000 0.498 525 E N 0.647 120.679 120.200 -0.280 0.000 2.283 525 E HA 0.244 4.594 4.350 0.000 0.000 0.278 525 E C -0.636 175.698 176.600 -0.444 0.000 1.027 525 E CA -0.455 55.753 56.400 -0.320 0.000 0.843 525 E CB 1.448 30.960 29.700 -0.314 0.000 1.062 525 E HN 0.450 nan 8.360 nan 0.000 0.401 526 K N 3.273 123.536 120.400 -0.228 0.000 2.154 526 K HA 0.168 4.488 4.320 0.000 0.000 0.264 526 K C -1.797 174.741 176.600 -0.103 0.000 1.008 526 K CA -1.594 54.609 56.287 -0.139 0.000 0.937 526 K CB 0.367 32.831 32.500 -0.061 0.000 1.002 526 K HN 0.056 nan 8.250 nan 0.000 0.469 527 P HA -0.290 nan 4.420 nan 0.000 0.219 527 P C -0.863 176.468 177.300 0.053 0.000 1.158 527 P CA 1.880 65.042 63.100 0.102 0.000 0.895 527 P CB -0.254 31.502 31.700 0.095 0.000 0.792 528 E N 0.000 120.211 120.200 0.019 0.000 2.725 528 E HA 0.000 4.350 4.350 0.000 0.000 0.291 528 E CA 0.000 56.406 56.400 0.011 0.000 0.976 528 E CB 0.000 29.699 29.700 -0.001 0.000 0.812 528 E HN 0.000 nan 8.360 nan 0.000 0.440